###########################################################################
#
# File: mmcif_nmr-star.dic
# Date: Thu Feb 4 14:57:32 EST 2010
#
# Created from files in CVS module dict-mmcif_nmr-star.dic unless noted:
# mmcif_nmr-star-header.dic
# mmcif_nmr-star-data.dic
# mmcif_nmr-star-def-1.dic
# mmcif_nmr-star-def-ilg.dic
#
###########################################################################
data_mmcif_nmr-star.dic
# version date - 2006-04-03
# The majority of the following item type definitions and descriptions for units
# have been taken from the pdbx and mmCIF dictionaries.
# The NMR-STAR dictionary has been constructed to be congruent with the pdbx
# where the data being modeled are equivalent. In these cases, where possible
# identical items have been used and the definitions for these items are
# intended to be identical.
_datablock.id mmcif_nmr-star.dic
_datablock.description
;
This data block contains the NMR-STAR dictionary.
;
_dictionary.title mmcif_nmr-star.dic
_dictionary.datablock_id mmcif_nmr-star.dic
_dictionary.version 3.0.8.34
loop_
_dictionary_history.version
_dictionary_history.update
_dictionary_history.revision
3.0.6.20 2006-04-04
;
?
;
3.0.8.34 2006-08-18
;
?
;
stop_
loop_
_sub_category.id
_sub_category.description
? ?
stop_
loop_
_category_group_list.id
_category_group_list.parent_id
_category_group_list.description
'inclusive_group' .
;
Categories that belong to the NMR-STAR dictionary.
;
'deposited_data_files'
'inclusive_group'
;
Categories that capture information about the data files that are uploaded for depositions.
;
'entry_interview'
'inclusive_group'
;
Categories that record an overview of the information to be deposited by an author.
;
'experiment_list'
'inclusive_group'
;
Categories that record the details about the experiments performed.
;
'study_list'
'inclusive_group'
;
Categories that describe a study of a molecular system that includes data from one or more entries.
;
'entry_information'
'inclusive_group'
;
Categories that describe an entry.
;
'citations'
'inclusive_group'
;
Categories that provide bibliographic references.
;
'chem_comp'
'inclusive_group'
;
Categories that describe chemical components of entities and molecular assemblies.
;
'entity'
'inclusive_group'
;
Categories that describe the polymer and non-polymer molecules that make up a molecular assembly.
;
'assembly'
'inclusive_group'
;
Categories that describe a molecular assembly.
;
'assembly_annotation'
'inclusive_group'
;
Categories that provide annotations for a molecular assembly.
;
'assembly_subsystems'
'inclusive_group'
;
Categories that describe subsystems of a molecular assembly.
;
'natural_source'
'inclusive_group'
;
Categories that describe the organism or other body found in nature that produces a molecular entity.
;
'experimental_source'
'inclusive_group'
;
Categories that describe the system used to produce a molecular entity for scientific experiments.
;
'sample'
'inclusive_group'
;
Categories that describe the contents and other details about the samples used in scientific experiments.
;
'sample_conditions'
'inclusive_group'
;
Categories that describe the experimental conditions used in conducting individual scientific experiments.
;
'molecule_purity'
'inclusive_group'
;
Categories that describe the measured purity of the molecular entity.
;
'software'
'inclusive_group'
;
Categories that describe computer software.
;
'method'
'inclusive_group'
;
Categories that describe software or physical methods used to produce a product.
;
'nmr_spectrometer'
'inclusive_group'
;
Categories that describe an NMR spectrometer.
;
'nmr_spectrometer_list'
'inclusive_group'
;
Categories that define a list of NMR spectrometers and their properties.
;
'nmr_spectrometer_probe'
'inclusive_group'
;
Categories that describe an NMR spectrometer probe.
;
'nmr_spectrometer_expt_list'
'inclusive_group'
;
Categories that define a list of NMR spectrometer experiments.
;
'nmr_spectrometer_expt'
'inclusive_group'
;
Categories that describe an NMR spectrometer experiment in detail.
;
'nmr_spectral_processing'
'inclusive_group'
;
Categories that describe how the data from an NMR spectrometer experiment has been processed.
;
'computer'
'inclusive_group'
;
Categories that describe a computer.
;
'chem_shift_reference'
'inclusive_group'
;
Categories that capture information about the compounds and parameters used to reference NMR chemical shifts.
;
'assigned_chemical_shifts'
'inclusive_group'
;
Categories that capture assigned chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the assigned chemical shifts were derived.
;
'coupling_constants'
'inclusive_group'
;
Categories that capture coupling constant values and links to the samples, sample conditions, NMR experiments, and other information about how the coupling constants were derived.
;
'spectral_peak_list'
'inclusive_group'
;
Categories that capture the properties of NMR spectral peaks, spectral parameters, and links to the NMR experiments and other information regarding the data.
;
'value_derivation'
'inclusive_group'
;
?
;
'chem_shift_isotope_effect'
'inclusive_group'
;
Categories that capture chemical shift isotope effect values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'chem_shift_interaction_diff'
'inclusive_group'
;
Categories that capture chemical shift deviations caused by molecular interactions and links to the samples, sample conditions, NMR experiments, and other information about how the deviation values were derived.
;
'chem_shift_anisotropy'
'inclusive_group'
;
Categories that capture chemical shift anisotropy values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'theoretical_chem_shifts'
'inclusive_group'
;
Categories that capture theoretical chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'chem_shifts_calc_type'
'inclusive_group'
;
Categories that define the type of calculation used to generate a list of theoretical chemical shifts for a molecule.
;
'chem_shielding_tensors'
'inclusive_group'
;
Categories that describe the chemical shielding tensors for a theoretical chemical shift calculation.
;
'rdcs'
'inclusive_group'
;
Categories that capture residual dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'dipolar_couplings'
'inclusive_group'
;
Categories that capture dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'spectral_density_values'
'inclusive_group'
;
Categories that capture spectral density values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'other_data_types'
'inclusive_group'
;
Categories that capture the values for other kinds of data not modeled in specific category groups in the dictionary and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'h_exch_rates'
'inclusive_group'
;
Categories that capture hydrogen exchange rate data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'h_exch_protection_factors'
'inclusive_group'
;
Categories that capture hydrogen exchange protection factor data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'homonucl_noes'
'inclusive_group'
;
Categories that capture homonuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'heteronucl_noes'
'inclusive_group'
;
Categories that capture heteronuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'heteronucl_t1_relaxation'
'inclusive_group'
;
Categories that capture heteronuclear T1 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'heteronucl_t1rho_relaxation'
'inclusive_group'
;
Categories that capture heteronuclear T1rho relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'heteronucl_t2_relaxation'
'inclusive_group'
;
Categories that capture heteronuclear T2 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'dipole_dipole_relaxation'
'inclusive_group'
;
Categories that capture dipole-dipole relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'dipole_dipole_cross_correlations'
'inclusive_group'
;
Categories that capture dipole-dipole cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'dipole_csa_cross_correlations'
'inclusive_group'
;
Categories that capture dipole-CSA cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'order_parameters'
'inclusive_group'
;
Categories that capture order parameter values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'ph_titration'
'inclusive_group'
;
Categories that capture the pKa or pHmid values derived from a pH titration experiment and links to the experimental details.
;
'ph_param_list'
'inclusive_group'
;
Categories that capture the NMR spectral parameters derived from a pH titration experiment.
;
'd_h_fractionation_factors'
'inclusive_group'
;
Categories that capture deuterium-hydrogen fractionation factor values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'deduced_secd_struct_features'
'inclusive_group'
;
Categories that capture secondary structure features deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the secondary structure features.
;
'deduced_hydrogen_bonds'
'inclusive_group'
;
Categories that capture hydrogen bonds information deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the hydrogen bonds.
;
'conformer_statistics'
'inclusive_group'
;
Categories that capture statistics derived from the three-dimensional conformers calculated for a biomolecule.
;
'constraint_statistics'
'inclusive_group'
;
Categories that capture statistics derived from the constraints used to calculate the three-dimension conformers for a biomolecule and the constraint violations.
;
'representative_conformer'
'inclusive_group'
;
Categories that capture the atomic coordinates for a representative conformer of a biomolecular system and links to the experimental conditions and data used to derive the conformer.
;
'conformer_family_coord_set'
'inclusive_group'
;
Categories that capture the atomic coordinates for a family of conformers for a biomolecular system and links to the experimental conditions and data used to calculate the conformer family.
;
'force_constants'
'inclusive_group'
;
Categories that describe the values for the force constants used in calculating a family of conformers for a biomolecular system.
;
'angular_order_parameters'
'inclusive_group'
;
Categories that capture a set of angular order parameters calculated from a family of conformers.
;
'tertiary_struct_elements'
'inclusive_group'
;
Categories that describe the tertiary structure elements found in the conformers calculated for a biomolecular system.
;
'secondary_structs'
'inclusive_group'
;
Categories that describe the secondary structure elements found in the conformers calculated for a biomolecular system.
;
'bond_annotation'
'inclusive_group'
;
Categories that capture annotations for the bonds found in the conformers calculated for a biomolecular system.
;
'structure_interactions'
'inclusive_group'
;
Categories that describe the interactions between molecules in a biomolecular system that have been found through the analysis of the calculated conformers.
;
'other_struct_features'
'inclusive_group'
;
Categories that provide a means for describing other structure features not specifically defined in other category groups.
;
'distance_constraints'
'inclusive_group'
;
Categories that capture the distance constraints used to calculate one or more conformers for a biomolecular system.
;
'floating_chiral_stereo_assign'
'inclusive_group'
;
Categories that capture the floating chirality stereo assignments used in calculating the conformers for a biomolecular system.
;
'torsion_angle_constraints'
'inclusive_group'
;
Categories that capture the torsion angle distance constraints used to calculate one or more conformers for a biomolecular system.
;
'rdc_constraints'
'inclusive_group'
;
Categories that capture the residual dipolar coupling constraints used to calculate one or more conformers for a biomolecular system.
;
'j_three_bond_constraints'
'inclusive_group'
;
Categories that capture the three bond scalar coupling constraints used to calculate one or more conformers for a biomolecular system.
;
'ca_cb_chem_shift_constraints'
'inclusive_group'
;
Categories that capture the protein CA and CB chemical shift constraints used to calculate one or more conformers for a biomolecular system.
;
'h_chem_shift_constraints'
'inclusive_group'
;
Categories that capture the proton chemical shift constraints used to calculate one or more conformers for a biomolecular system.
;
'other_constraints'
'inclusive_group'
;
Categories that capture values for other kinds of constraints not specifically defined in other category groups used to calculate one or more conformers for a biomolecular system.
;
stop_
####################
## ITEM_TYPE_LIST ##
####################
#
#
# The regular expressions defined here are not compliant
# with the POSIX 1003.2 standard as they include the
# '\n' and '\t' special characters. These regular expressions
# have been tested using the version 0.12 of Richard Stallman's
# GNU regular expression libary in POSIX mode.
#
#
# For some data items, a standard syntax is assumed. The syntax is
# described for each data item in the dictionary, but is summarized here:
#
# Names: The family name(s) followed by a comma, precedes the first
# name(s) or initial(s).
#
# Telephone numbers:
# The international code is given in brackets and any extension
# number is preceded by 'ext'.
#
# Dates: In the form yyyy-mm-dd.
#
##############################################################################
loop_
_item_type_list.code
_item_type_list.primitive_code
_item_type_list.construct
_item_type_list.detail
code char
'[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words ...
;
ucode uchar
'[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
line char
'[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; char item types / multi-word items ...
;
uline uchar
'[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; char item types / multi-word items (case insensitive)...
;
text char
'[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; text item types / multi-line text ...
;
int numb
'-?[0-9]+'
; int item types are the subset of numbers that are the negative
or positive integers.
;
float numb
'-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?'
; int item types are the subset of numbers that are the floating
numbers.
;
name uchar
'_[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+'
; name item types take the form...
;
idname uchar
'[_A-Za-z0-9]+'
; idname item types take the form...
;
any char
'.*'
; A catch all for items that may take any form...
;
yyyy-mm-dd char
'[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9]'
;
Standard format for CIF dates.
;
uchar3 uchar
'[+]?[A-Za-z0-9][A-Za-z0-9][A-Za-z0-9]'
;
data item for 3 character codes
;
uchar1 uchar
'[+]?[A-Za-z0-9]'
;
data item for 1 character codes
;
yes_no char
'.?.?.?'
;
data item for bolean codes that have values of 'yes' or 'no'
;
symop char
'([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])?'
; symop item types take the form n_klm, where n refers to the
symmetry operation that is applied to the coordinates in the
ATOM_SITE category identified by _atom_site_label. It must
match a number given in _symmetry_equiv_pos_site_id.
k, l, and m refer to the translations that are subsequently
applied to the symmetry transformed coordinates to generate
the atom used. These translations (x,y,z) are related to
(k,l,m) by
k = 5 + x
l = 5 + y
m = 5 + z
By adding 5 to the translations, the use of negative numbers
is avoided.
;
atcode char
'[][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; Character data type for atom names ...
;
yyyy-mm-dd:hh:mm char
'[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])?'
;
Standard format for CIF dates with optional time stamp.
;
fax uchar
'[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
phone uchar
'[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
email uchar
'[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
int-range numb
'-?[0-9]+(--?[0-9]+)?'
; int item types are the subset of numbers that are the negative
or positive integers with optional range.
;
float-range numb
'-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)?'
; int item types are the subset of numbers that are the floating
numbers.
;
code30 char
'.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?'
'A string value, not allowed to exceed 30 characters.'
#
binary char
;\n--CIF-BINARY-FORMAT-SECTION--\n\
[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\
\n--CIF-BINARY-FORMAT-SECTION----
;
; binary items are presented as MIME-like ascii-encoded
sections in an imgCIF. In a CBF, raw octet streams
are used to convey the same information.
;
label char
\$[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*
; A value that begins with the character '$' and points to a saveframe.
;
stop_
#####################
## ITEM_UNITS_LIST ##
#####################
loop_
_item_units_list.code
_item_units_list.detail
#
'metres' 'metres'
'centimetres' 'centimetres (meters * 10^( -2))'
'millimetres' 'millimetres (meters * 10^( -3))'
'nanometres' 'nanometres (meters * 10^( -9))'
'angstroms' 'angstroms (meters * 10^(-10))'
'picometres' 'picometres (meters * 10^(-12))'
'femtometres' 'femtometres (meters * 10^(-15))'
#
'reciprocal_centimetres' 'reciprocal centimetres (meters * 10^( -2)^-1)'
'reciprocal_millimetres' 'reciprocal millimetres (meters * 10^( -3)^-1)'
'reciprocal_nanometres' 'reciprocal nanometres (meters * 10^( -9)^-1)'
'reciprocal_angstroms' 'reciprocal angstroms (meters * 10^(-10)^-1)'
'reciprocal_picometres' 'reciprocal picometres (meters * 10^(-12)^-1)'
#
'nanometres_squared' 'nanometres squared (meters * 10^( -9))^2'
'angstroms_squared' 'angstroms squared (meters * 10^(-10))^2'
'8pi2_angstroms_squared' '8pi^2 * angstroms squared (meters * 10^(-10))^2'
'picometres_squared' 'picometres squared (meters * 10^(-12))^2'
#
'nanometres_cubed' 'nanometres cubed (meters * 10^( -9))^3'
'angstroms_cubed' 'angstroms cubed (meters * 10^(-10))^3'
'picometres_cubed' 'picometres cubed (meters * 10^(-12))^3'
#
'kilopascals' 'kilopascals'
'gigapascals' 'gigapascals'
#
'hours' 'hours'
'minutes' 'minutes'
'seconds' 'seconds'
'microseconds' 'microseconds'
#
'degrees' 'degrees (of arc)'
#
'degrees_per_minute' 'degrees (of arc) per minute'
#
'celsius' 'degrees (of temperature) Celsius'
'kelvins' 'degrees (of temperature) Kelvin'
#
'electrons' 'electrons'
#
'electrons_squared' 'electrons squared'
#
'electrons_per_nanometres_cubed'
; electrons per nanometres cubed (meters * 10^( -9))^3
;
'electrons_per_angstroms_cubed'
; electrons per angstroms cubed (meters * 10^(-10))^3
;
'electrons_per_picometres_cubed'
; electrons per picometres cubed (meters * 10^(-12))^3
;
'kilowatts' 'kilowatts'
'milliamperes' 'milliamperes'
'kilovolts' 'kilovolts'
#
'arbitrary'
; arbitrary system of units.
;
#
'angstroms_degrees' 'angstroms * degrees'
#
'degrees_squared' 'degrees squared'
#
'mg_per_ml' 'milliliter per milligram'
#
'ml_per_min' 'milliliter per minute'
#
'milliliters' 'liter / 1000'
#
'milligrams' 'grams / 1000'
#
'megadaltons' 'megadaltons'
'microns_squared' 'microns squared'
'microns' 'microns'
# 'millimeters' 'millimeters'
'electrons_angstrom_squared' 'electrons square angstrom'
'electron_volts' 'electron volts'
# 'mg/ml' 'mg per milliliter'
'millimolar' 'millimolar'
'megagrams_per_cubic_metre' 'megagrams per cubic metre'
'pixels_per_millimetre' 'pixels per millimetre'
'counts' 'counts'
'counts_per_photon' 'counts per photon'
#
loop_
_item_units_conversion.from_code
_item_units_conversion.to_code
_item_units_conversion.operator
_item_units_conversion.factor
###
'metres' 'centimetres' '*' 1.0E+02
'metres' 'millimetres' '*' 1.0E+03
'metres' 'nanometres' '*' 1.0E+09
'metres' 'angstroms' '*' 1.0E+10
'metres' 'picometres' '*' 1.0E+12
'metres' 'femtometres' '*' 1.0E+15
'centimetres' 'millimetres' '*' 1.0E+01
'centimetres' 'nanometres' '*' 1.0E+07
'centimetres' 'angstroms' '*' 1.0E+08
'centimetres' 'picometres' '*' 1.0E+10
'centimetres' 'femtometres' '*' 1.0E+13
#
'millimetres' 'centimetres' '*' 1.0E-01
'millimetres' 'nanometres' '*' 1.0E+06
'millimetres' 'angstroms' '*' 1.0E+07
'millimetres' 'picometres' '*' 1.0E+09
'millimetres' 'femtometres' '*' 1.0E+12
#
'nanometres' 'centimetres' '*' 1.0E-07
'nanometres' 'millimetres' '*' 1.0E-06
'nanometres' 'angstroms' '*' 1.0E+01
'nanometres' 'picometres' '*' 1.0E+03
'nanometres' 'femtometres' '*' 1.0E+06
#
'angstroms' 'centimetres' '*' 1.0E-08
'angstroms' 'millimetres' '*' 1.0E-07
'angstroms' 'nanometres' '*' 1.0E-01
'angstroms' 'picometres' '*' 1.0E+02
'angstroms' 'femtometres' '*' 1.0E+05
#
'picometres' 'centimetres' '*' 1.0E-10
'picometres' 'millimetres' '*' 1.0E-09
'picometres' 'nanometres' '*' 1.0E-03
'picometres' 'angstroms' '*' 1.0E-02
'picometres' 'femtometres' '*' 1.0E+03
#
'femtometres' 'centimetres' '*' 1.0E-13
'femtometres' 'millimetres' '*' 1.0E-12
'femtometres' 'nanometres' '*' 1.0E-06
'femtometres' 'angstroms' '*' 1.0E-05
'femtometres' 'picometres' '*' 1.0E-03
###
'reciprocal_centimetres' 'reciprocal_millimetres' '*' 1.0E-01
'reciprocal_centimetres' 'reciprocal_nanometres' '*' 1.0E-07
'reciprocal_centimetres' 'reciprocal_angstroms' '*' 1.0E-08
'reciprocal_centimetres' 'reciprocal_picometres' '*' 1.0E-10
#
'reciprocal_millimetres' 'reciprocal_centimetres' '*' 1.0E+01
'reciprocal_millimetres' 'reciprocal_nanometres' '*' 1.0E-06
'reciprocal_millimetres' 'reciprocal_angstroms' '*' 1.0E-07
'reciprocal_millimetres' 'reciprocal_picometres' '*' 1.0E-09
#
'reciprocal_nanometres' 'reciprocal_centimetres' '*' 1.0E+07
'reciprocal_nanometres' 'reciprocal_millimetres' '*' 1.0E+06
'reciprocal_nanometres' 'reciprocal_angstroms' '*' 1.0E-01
'reciprocal_nanometres' 'reciprocal_picometres' '*' 1.0E-03
#
'reciprocal_angstroms' 'reciprocal_centimetres' '*' 1.0E+08
'reciprocal_angstroms' 'reciprocal_millimetres' '*' 1.0E+07
'reciprocal_angstroms' 'reciprocal_nanometres' '*' 1.0E+01
'reciprocal_angstroms' 'reciprocal_picometres' '*' 1.0E-02
#
'reciprocal_picometres' 'reciprocal_centimetres' '*' 1.0E+10
'reciprocal_picometres' 'reciprocal_millimetres' '*' 1.0E+09
'reciprocal_picometres' 'reciprocal_nanometres' '*' 1.0E+03
'reciprocal_picometres' 'reciprocal_angstroms' '*' 1.0E+01
###
'nanometres_squared' 'angstroms_squared' '*' 1.0E+02
'nanometres_squared' 'picometres_squared' '*' 1.0E+06
#
'angstroms_squared' 'nanometres_squared' '*' 1.0E-02
'angstroms_squared' 'picometres_squared' '*' 1.0E+04
'angstroms_squared' '8pi2_angstroms_squared' '*' 78.9568
#
'picometres_squared' 'nanometres_squared' '*' 1.0E-06
'picometres_squared' 'angstroms_squared' '*' 1.0E-04
###
'nanometres_cubed' 'angstroms_cubed' '*' 1.0E+03
'nanometres_cubed' 'picometres_cubed' '*' 1.0E+09
#
'angstroms_cubed' 'nanometres_cubed' '*' 1.0E-03
'angstroms_cubed' 'picometres_cubed' '*' 1.0E+06
#
'picometres_cubed' 'nanometres_cubed' '*' 1.0E-09
'picometres_cubed' 'angstroms_cubed' '*' 1.0E-06
###
'kilopascals' 'gigapascals' '*' 1.0E-06
'gigapascals' 'kilopascals' '*' 1.0E+06
###
'hours' 'minutes' '*' 6.0E+01
'hours' 'seconds' '*' 3.6E+03
'hours' 'microseconds' '*' 3.6E+09
#
'minutes' 'hours' '/' 6.0E+01
'minutes' 'seconds' '*' 6.0E+01
'minutes' 'microseconds' '*' 6.0E+07
#
'seconds' 'hours' '/' 3.6E+03
'seconds' 'minutes' '/' 6.0E+01
'seconds' 'microseconds' '*' 1.0E+06
#
'microseconds' 'hours' '/' 3.6E+09
'microseconds' 'minutes' '/' 6.0E+07
'microseconds' 'seconds' '/' 1.0E+06
###
'celsius' 'kelvins' '-' 273.0
'kelvins' 'celsius' '+' 273.0
###
'electrons_per_nanometres_cubed'
'electrons_per_angstroms_cubed' '*' 1.0E-03
'electrons_per_nanometres_cubed'
'electrons_per_picometres_cubed' '*' 1.0E-09
#
'electrons_per_angstroms_cubed'
'electrons_per_nanometres_cubed' '*' 1.0E+03
'electrons_per_angstroms_cubed'
'electrons_per_picometres_cubed' '*' 1.0E-06
#
'electrons_per_picometres_cubed'
'electrons_per_nanometres_cubed' '*' 1.0E+09
'electrons_per_picometres_cubed'
'electrons_per_angstroms_cubed' '*' 1.0E+06
###
stop_
save_study_list
_category.description
;
Items in the study_list category define the saveframe for the study description.
;
_category.id 'study_list'
_category.mandatory_code yes
loop_
_category_key.name
'_study_list.entry_id'
'_study_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__study_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_study_list.sf_category'
_item.category_id 'study_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
study
;
stop_
_item_type.code 'code'
save_
save__study_list.sf_framecode
_item_description.description
;
Character string that is unique to the saveframe within the data block
defined by a specific entry. The character string names the saveframe and may be
used to reference or to point to the saveframe later in the data block.
;
_item.name '_study_list.sf_framecode'
_item.category_id 'study_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
study
;
stop_
_item_type.code 'code'
save_
save__study_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study_list.entry_id'
_item.category_id 'study_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
4567
;
stop_
_item_type.code 'code'
save_
save__study_list.id
_item_description.description
;
Unique value identifying this saveframe of category study_list within an entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_study_list.id' 'study_list' yes
'_study.study_list_id' 'study' yes
'_study_keyword.study_list_id' 'study_keyword' yes
'_study_entry_list.study_list_id' 'study_entry_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_study.study_list_id' '_study_list.id'
'_study_keyword.study_list_id' '_study_list.id'
'_study_entry_list.study_list_id' '_study_list.id'
stop_
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save_study
_category.description
;
Items in the study category define the study of which the entry is a member.
;
_category.id 'study'
_category.mandatory_code yes
loop_
_category_key.name
'_study.id'
'_study.entry_id'
'_study.study_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__study.id
_item_description.description
;
Unique code that identifies a specific study.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_study.id' 'study' yes
'_study_keyword.study_id' 'study_keyword' yes
'_study_entry_list.study_id' 'study_entry_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_study_keyword.study_id' '_study.id'
'_study_entry_list.study_id' '_study.id'
stop_
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__study.name
_item_description.description
;
Descriptive name given to a 'study' where a study is a collection of entries
containing data for a set of related molecular systems or for a single molecular
system but published in more than one citation (i.e. chemical shifts in one
publication and atomic coordinates in another and relaxation studies in a third).
;
_item.name '_study.name'
_item.category_id 'study'
_item.mandatory_code yes
loop_
_item_examples.case
;
Investigation of cytochrome b in the molten globule state
;
stop_
_item_type.code 'text'
save_
save__study.type
_item_description.description
;
A brief phrase that describes the study that was conducted. An enumerated
list of types will be provided but an author will be able to provide their own
description if none of the enumerated values are appropriate.
;
_item.name '_study.type'
_item.category_id 'study'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'Structure analysis' ?
'Mutant comparison' ?
'Interactions with different ligands' ?
stop_
loop_
_item_examples.case
;
structure study
;
stop_
_item_type.code 'line'
save_
save__study.details
_item_description.description
;
Text information relevant to the study are entered as a value for this
tag. This tag is often used to include information that cannot be associated with
a specific tag in the saveframe but is important for the entry. The information
entered must supplement information already present.
;
_item.name '_study.details'
_item.category_id 'study'
_item.mandatory_code no
loop_
_item_examples.case
;
The data from the entries that make up this study were used to determine the structure and dynamics of ribonuclease T1.
;
stop_
_item_type.code 'text'
save_
save__study.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study.entry_id'
_item.category_id 'study'
_item.mandatory_code yes
loop_
_item_examples.case
;
4567
;
stop_
_item_type.code 'code'
save_
save__study.study_list_id
_item_description.description
;
Pointer to '_Study_list.ID'
;
_item.name '_study.study_list_id'
_item.category_id 'study'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save_study_keyword
_category.description
;
Items in the study_keyword category capture keywords that describe a study of a biomolecular system.
;
_category.id 'study_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_study_keyword.study_id'
'_study_keyword.keyword'
'_study_keyword.entry_id'
'_study_keyword.study_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__study_keyword.study_id
_item_description.description
;
Pointer to '_Study.ID'
;
_item.name '_study_keyword.study_id'
_item.category_id 'study_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
21
;
stop_
_item_type.code 'int'
save_
save__study_keyword.keyword
_item_description.description
;
A word or brief phrase that can be used to describe or classify the study.
;
_item.name '_study_keyword.keyword'
_item.category_id 'study_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
NMR structure
;
stop_
_item_type.code 'line'
save_
save__study_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study_keyword.entry_id'
_item.category_id 'study_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
4567
;
stop_
_item_type.code 'code'
save_
save__study_keyword.study_list_id
_item_description.description
;
Pointer to '_Study_list.ID'
;
_item.name '_study_keyword.study_list_id'
_item.category_id 'study_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save_study_entry_list
_category.description
;
Items in the study_entry_list category define a list of entries that together represent a study of a biomolecular system.
;
_category.id 'study_entry_list'
_category.mandatory_code yes
loop_
_category_key.name
'_study_entry_list.study_id'
'_study_entry_list.bmrb_accession_code'
'_study_entry_list.entry_id'
'_study_entry_list.study_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__study_entry_list.study_id
_item_description.description
;
Pointer to '_Study.ID' not within the entry but across the database.
;
_item.name '_study_entry_list.study_id'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__study_entry_list.bmrb_accession_code
_item_description.description
;
BMRB accession number for an entry that is a member of the study.
;
_item.name '_study_entry_list.bmrb_accession_code'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
4398
;
stop_
_item_type.code 'code'
save_
save__study_entry_list.bmrb_entry_description
_item_description.description
;
A keyword defining the relationship between the entry and the study.
;
_item.name '_study_entry_list.bmrb_entry_description'
_item.category_id 'study_entry_list'
_item.mandatory_code no
loop_
_item_examples.case
;
Assigned chemical shift entry
;
stop_
_item_type.code 'line'
save_
save__study_entry_list.details
_item_description.description
;
Text providing additional information describing the relationship between
the entry and the study.
;
_item.name '_study_entry_list.details'
_item.category_id 'study_entry_list'
_item.mandatory_code no
loop_
_item_examples.case
;
Complete 13C 15N and 1H chemical shift assignments.
;
stop_
_item_type.code 'text'
save_
save__study_entry_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study_entry_list.entry_id'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
4567
;
stop_
_item_type.code 'code'
save_
save__study_entry_list.study_list_id
_item_description.description
;
Pointer to '_Study_list.ID'
;
_item.name '_study_entry_list.study_list_id'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save_entry
_category.description
;
Items in the entry category describe an entry.
;
_category.id 'entry'
_category.mandatory_code yes
loop_
_category_key.name
'_entry.id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entry.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entry.sf_category'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
entry_information
;
stop_
_item_type.code 'code'
save_
save__entry.sf_framecode
_item_description.description
;
STAR framecode for this saveframe. The value is defined as 'entry_information'
for the entry information saveframe in each entry.
;
_item.name '_entry.sf_framecode'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
entry_information
;
stop_
_item_type.code 'code'
save_
save__entry.id
_item_description.description
;
BMRB accession number for this entry
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entry.id' 'entry' yes
'_study_list.entry_id' 'study_list' yes
'_study.entry_id' 'study' yes
'_study_keyword.entry_id' 'study_keyword' yes
'_study_entry_list.entry_id' 'study_entry_list' yes
'_entry_proc_cycle.entry_id' 'entry_proc_cycle' yes
'_entry_prerelease_seq.entry_id' 'entry_prerelease_seq' yes
'_contact_person.entry_id' 'contact_person' yes
'_entry_author.entry_id' 'entry_author' yes
'_sg_project.entry_id' 'sg_project' yes
'_entry_src.entry_id' 'entry_src' yes
'_struct_keywords.entry_id' 'struct_keywords' yes
'_data_set.entry_id' 'data_set' yes
'_datum.entry_id' 'datum' yes
'_release.entry_id' 'release' yes
'_related_entries.entry_id' 'related_entries' yes
'_citation.entry_id' 'citation' yes
'_citation_author.entry_id' 'citation_author' yes
'_citation_keyword.entry_id' 'citation_keyword' yes
'_citation_editor.entry_id' 'citation_editor' yes
'_assembly.entry_id' 'assembly' yes
'_assembly_type.entry_id' 'assembly_type' yes
'_entity_assembly.entry_id' 'entity_assembly' yes
'_struct_asym.entry_id' 'struct_asym' yes
'_assembly_db_link.entry_id' 'assembly_db_link' yes
'_assembly_common_name.entry_id' 'assembly_common_name' yes
'_assembly_systematic_name.entry_id' 'assembly_systematic_name' yes
'_assembly_interaction.entry_id' 'assembly_interaction' yes
'_chem_comp_assembly.entry_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.entry_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.entry_id' 'pdbx_nonpoly_scheme' yes
'_atom_type.entry_id' 'atom_type' yes
'_atom.entry_id' 'atom' yes
'_bond.entry_id' 'bond' yes
'_deleted_atom.entry_id' 'deleted_atom' yes
'_assembly_bio_function.entry_id' 'assembly_bio_function' yes
'_angle.entry_id' 'angle' yes
'_torsion_angle.entry_id' 'torsion_angle' yes
'_assembly_segment.entry_id' 'assembly_segment' yes
'_assembly_segment_description.entry_id' 'assembly_segment_description' yes
'_assembly_keyword.entry_id' 'assembly_keyword' yes
'_assembly_citation.entry_id' 'assembly_citation' yes
'_assembly_annotation_list.entry_id' 'assembly_annotation_list' yes
'_author_annotation.entry_id' 'author_annotation' yes
'_assembly_subsystem.entry_id' 'assembly_subsystem' yes
'_subsystem_common_name.entry_id' 'subsystem_common_name' yes
'_subsystem_type.entry_id' 'subsystem_type' yes
'_subsystem_component.entry_id' 'subsystem_component' yes
'_subsystem_keyword.entry_id' 'subsystem_keyword' yes
'_subsystem_biological_function.entry_id' 'subsystem_biological_function' yes
'_subsystem_db_link.entry_id' 'subsystem_db_link' yes
'_subsystem_citation.entry_id' 'subsystem_citation' yes
'_entity.entry_id' 'entity' yes
'_entity_db_link.entry_id' 'entity_db_link' yes
'_entity_biological_function.entry_id' 'entity_biological_function' yes
'_entity_common_name.entry_id' 'entity_common_name' yes
'_entity_systematic_name.entry_id' 'entity_systematic_name' yes
'_entity_keyword.entry_id' 'entity_keyword' yes
'_entity_comp_index.entry_id' 'entity_comp_index' yes
'_entity_poly_seq.entry_id' 'entity_poly_seq' yes
'_entity_chimera_segment.entry_id' 'entity_chimera_segment' yes
'_entity_comp_index_alt.entry_id' 'entity_comp_index_alt' yes
'_entity_bond.entry_id' 'entity_bond' yes
'_entity_citation.entry_id' 'entity_citation' yes
'_entity_natural_src_list.entry_id' 'entity_natural_src_list' yes
'_entity_natural_src.entry_id' 'entity_natural_src' yes
'_natural_source_db.entry_id' 'natural_source_db' yes
'_entity_experimental_src_list.entry_id' 'entity_experimental_src_list' yes
'_entity_experimental_src.entry_id' 'entity_experimental_src' yes
'_chem_comp.entry_id' 'chem_comp' yes
'_chem_comp_common_name.entry_id' 'chem_comp_common_name' yes
'_chem_comp_systematic_name.entry_id' 'chem_comp_systematic_name' yes
'_chem_comp_smiles.entry_id' 'chem_comp_smiles' yes
'_chem_comp_keyword.entry_id' 'chem_comp_keyword' yes
'_characteristic.entry_id' 'characteristic' yes
'_chem_comp_atom.entry_id' 'chem_comp_atom' yes
'_atom_nomenclature.entry_id' 'atom_nomenclature' yes
'_chem_comp_bond.entry_id' 'chem_comp_bond' yes
'_chem_comp_tor.entry_id' 'chem_comp_tor' yes
'_chem_comp_angle.entry_id' 'chem_comp_angle' yes
'_chem_comp_db_link.entry_id' 'chem_comp_db_link' yes
'_chem_comp_citation.entry_id' 'chem_comp_citation' yes
'_sample.entry_id' 'sample' yes
'_sample_component.entry_id' 'sample_component' yes
'_sample_component_atom_isotope.entry_id' 'sample_component_atom_isotope' yes
'_sample_citation.entry_id' 'sample_citation' yes
'_sample_condition_list.entry_id' 'sample_condition_list' yes
'_sample_condition_variable.entry_id' 'sample_condition_variable' yes
'_sample_condition_citation.entry_id' 'sample_condition_citation' yes
'_entity_purity_list.entry_id' 'entity_purity_list' yes
'_entity_purity.entry_id' 'entity_purity' yes
'_entity_purity_citation.entry_id' 'entity_purity_citation' yes
'_software.entry_id' 'software' yes
'_task.entry_id' 'task' yes
'_vendor.entry_id' 'vendor' yes
'_software_citation.entry_id' 'software_citation' yes
'_method.entry_id' 'method' yes
'_method_file.entry_id' 'method_file' yes
'_method_param.entry_id' 'method_param' yes
'_method_citation.entry_id' 'method_citation' yes
'_nmr_spectrometer.entry_id' 'nmr_spectrometer' yes
'_nmr_spectrometer_citation.entry_id' 'nmr_spectrometer_citation' yes
'_nmr_spectrometer_list.entry_id' 'nmr_spectrometer_list' yes
'_nmr_spectrometer_view.entry_id' 'nmr_spectrometer_view' yes
'_nmr_spectrometer_probe.entry_id' 'nmr_spectrometer_probe' yes
'_nmr_probe.entry_id' 'nmr_probe' yes
'_nmr_spectrometer_probe_citation.entry_id' 'nmr_spectrometer_probe_citation' yes
'_experiment_list.entry_id' 'experiment_list' yes
'_experiment.entry_id' 'experiment' yes
'_nmr_spec_expt.entry_id' 'nmr_spec_expt' yes
'_nmr_experiment_file.entry_id' 'nmr_experiment_file' yes
'_spectral_acq_param.entry_id' 'spectral_acq_param' yes
'_recoupling_pulse_sequence.entry_id' 'recoupling_pulse_sequence' yes
'_decoupling_pulse_sequence.entry_id' 'decoupling_pulse_sequence' yes
'_nmr_experiment_citation.entry_id' 'nmr_experiment_citation' yes
'_nmr_spectral_processing.entry_id' 'nmr_spectral_processing' yes
'_nmr_spectral_proc_software.entry_id' 'nmr_spectral_proc_software' yes
'_spectral_processing_param.entry_id' 'spectral_processing_param' yes
'_computer.entry_id' 'computer' yes
'_computer_citation.entry_id' 'computer_citation' yes
'_chem_shift_reference.entry_id' 'chem_shift_reference' yes
'_chem_shift_ref.entry_id' 'chem_shift_ref' yes
'_assigned_chem_shift_list.entry_id' 'assigned_chem_shift_list' yes
'_chem_shift_experiment.entry_id' 'chem_shift_experiment' yes
'_systematic_chem_shift_offset.entry_id' 'systematic_chem_shift_offset' yes
'_chem_shift_software.entry_id' 'chem_shift_software' yes
'_atom_chem_shift.entry_id' 'atom_chem_shift' yes
'_ambiguous_atom_chem_shift.entry_id' 'ambiguous_atom_chem_shift' yes
'_coupling_constant_list.entry_id' 'coupling_constant_list' yes
'_coupling_constant_experiment.entry_id' 'coupling_constant_experiment' yes
'_coupling_constant_software.entry_id' 'coupling_constant_software' yes
'_coupling_constant.entry_id' 'coupling_constant' yes
'_spectral_peak_list.entry_id' 'spectral_peak_list' yes
'_spectral_dim.entry_id' 'spectral_dim' yes
'_spectral_peak_software.entry_id' 'spectral_peak_software' yes
'_peak.entry_id' 'peak' yes
'_peak_general_char.entry_id' 'peak_general_char' yes
'_peak_char.entry_id' 'peak_char' yes
'_peak_contribution.entry_id' 'peak_contribution' yes
'_assigned_peak_chem_shift.entry_id' 'assigned_peak_chem_shift' yes
'_resonance_linker_list.entry_id' 'resonance_linker_list' yes
'_resonance.entry_id' 'resonance' yes
'_resonance_assignment.entry_id' 'resonance_assignment' yes
'_spin_system.entry_id' 'spin_system' yes
'_chem_shift_isotope_effect_list.entry_id' 'chem_shift_isotope_effect_list' yes
'_isotope_effect_experiment.entry_id' 'isotope_effect_experiment' yes
'_isotope_effect_software.entry_id' 'isotope_effect_software' yes
'_isotope_effect.entry_id' 'isotope_effect' yes
'_isotope_label_pattern.entry_id' 'isotope_label_pattern' yes
'_mol_interaction_chem_shift_diff.entry_id' 'mol_interaction_chem_shift_diff' yes
'_mol_interaction_diff_experiment.entry_id' 'mol_interaction_diff_experiment' yes
'_mol_interaction_diff_software.entry_id' 'mol_interaction_diff_software' yes
'_mol_interaction_chem_shift.entry_id' 'mol_interaction_chem_shift' yes
'_chem_shift_anisotropy.entry_id' 'chem_shift_anisotropy' yes
'_cs_anisotropy_experiment.entry_id' 'cs_anisotropy_experiment' yes
'_cs_anisotropy_software.entry_id' 'cs_anisotropy_software' yes
'_cs_anisotropy.entry_id' 'cs_anisotropy' yes
'_chem_shifts_calc_type.entry_id' 'chem_shifts_calc_type' yes
'_chem_shifts_calc_software.entry_id' 'chem_shifts_calc_software' yes
'_chem_shielding_tensor_list.entry_id' 'chem_shielding_tensor_list' yes
'_chem_shielding_tensor.entry_id' 'chem_shielding_tensor' yes
'_theoretical_chem_shift_list.entry_id' 'theoretical_chem_shift_list' yes
'_theoretical_chem_shift.entry_id' 'theoretical_chem_shift' yes
'_rdc_list.entry_id' 'rdc_list' yes
'_rdc_experiment.entry_id' 'rdc_experiment' yes
'_rdc_software.entry_id' 'rdc_software' yes
'_rdc.entry_id' 'rdc' yes
'_dipolar_coupling_list.entry_id' 'dipolar_coupling_list' yes
'_dipolar_coupling_experiment.entry_id' 'dipolar_coupling_experiment' yes
'_dipolar_coupling_software.entry_id' 'dipolar_coupling_software' yes
'_dipolar_coupling.entry_id' 'dipolar_coupling' yes
'_spectral_density_list.entry_id' 'spectral_density_list' yes
'_spectral_density_experiment.entry_id' 'spectral_density_experiment' yes
'_spectral_density_software.entry_id' 'spectral_density_software' yes
'_spectral_density.entry_id' 'spectral_density' yes
'_other_data_type_list.entry_id' 'other_data_type_list' yes
'_other_data_experiment.entry_id' 'other_data_experiment' yes
'_other_data_software.entry_id' 'other_data_software' yes
'_other_data.entry_id' 'other_data' yes
'_h_exch_rate_list.entry_id' 'h_exch_rate_list' yes
'_h_exch_rate_experiment.entry_id' 'h_exch_rate_experiment' yes
'_h_exch_rate_software.entry_id' 'h_exch_rate_software' yes
'_h_exch_rate.entry_id' 'h_exch_rate' yes
'_h_exch_protection_factor_list.entry_id' 'h_exch_protection_factor_list' yes
'_h_exch_protection_fact_experiment.entry_id' 'h_exch_protection_fact_experiment' yes
'_h_exch_protect_fact_software.entry_id' 'h_exch_protect_fact_software' yes
'_h_exch_protection_factor.entry_id' 'h_exch_protection_factor' yes
'_homonucl_noe_list.entry_id' 'homonucl_noe_list' yes
'_homonucl_noe_experiment.entry_id' 'homonucl_noe_experiment' yes
'_homonucl_noe_software.entry_id' 'homonucl_noe_software' yes
'_homonucl_noe.entry_id' 'homonucl_noe' yes
'_heteronucl_noe_list.entry_id' 'heteronucl_noe_list' yes
'_heteronucl_noe_experiment.entry_id' 'heteronucl_noe_experiment' yes
'_heteronucl_noe_software.entry_id' 'heteronucl_noe_software' yes
'_heteronucl_noe.entry_id' 'heteronucl_noe' yes
'_heteronucl_t1_list.entry_id' 'heteronucl_t1_list' yes
'_heteronucl_t1_experiment.entry_id' 'heteronucl_t1_experiment' yes
'_heteronucl_t1_software.entry_id' 'heteronucl_t1_software' yes
'_t1.entry_id' 't1' yes
'_heteronucl_t1rho_list.entry_id' 'heteronucl_t1rho_list' yes
'_heteronucl_t1rho_experiment.entry_id' 'heteronucl_t1rho_experiment' yes
'_heteronucl_t1rho_software.entry_id' 'heteronucl_t1rho_software' yes
'_t1rho.entry_id' 't1rho' yes
'_heteronucl_t2_list.entry_id' 'heteronucl_t2_list' yes
'_heteronucl_t2_experiment.entry_id' 'heteronucl_t2_experiment' yes
'_heteronucl_t2_software.entry_id' 'heteronucl_t2_software' yes
'_t2.entry_id' 't2' yes
'_dipole_dipole_relax_list.entry_id' 'dipole_dipole_relax_list' yes
'_dipole_dipole_relax_experiment.entry_id' 'dipole_dipole_relax_experiment' yes
'_dipole_dipole_relax_software.entry_id' 'dipole_dipole_relax_software' yes
'_dipole_dipole_relax.entry_id' 'dipole_dipole_relax' yes
'_cross_correlation_dd_list.entry_id' 'cross_correlation_dd_list' yes
'_cross_correlation_dd_experiment.entry_id' 'cross_correlation_dd_experiment' yes
'_cross_correlation_dd_software.entry_id' 'cross_correlation_dd_software' yes
'_cross_correlation_dd.entry_id' 'cross_correlation_dd' yes
'_cross_correlation_d_csa_list.entry_id' 'cross_correlation_d_csa_list' yes
'_cross_correlation_d_csa_experiment.entry_id' 'cross_correlation_d_csa_experiment' yes
'_cross_correlation_d_csa_software.entry_id' 'cross_correlation_d_csa_software' yes
'_cross_correlation_d_csa.entry_id' 'cross_correlation_d_csa' yes
'_order_parameter_list.entry_id' 'order_parameter_list' yes
'_order_parameter_experiment.entry_id' 'order_parameter_experiment' yes
'_order_parameter_software.entry_id' 'order_parameter_software' yes
'_order_param.entry_id' 'order_param' yes
'_ph_titration_list.entry_id' 'ph_titration_list' yes
'_ph_titration_experiment.entry_id' 'ph_titration_experiment' yes
'_ph_titration_software.entry_id' 'ph_titration_software' yes
'_ph_titr_result.entry_id' 'ph_titr_result' yes
'_ph_param_list.entry_id' 'ph_param_list' yes
'_ph_param.entry_id' 'ph_param' yes
'_d_h_fractionation_factor_list.entry_id' 'd_h_fractionation_factor_list' yes
'_d_h_fract_factor_experiment.entry_id' 'd_h_fract_factor_experiment' yes
'_d_h_fract_factor_software.entry_id' 'd_h_fract_factor_software' yes
'_d_h_fractionation_factor.entry_id' 'd_h_fractionation_factor' yes
'_deduced_secd_struct_list.entry_id' 'deduced_secd_struct_list' yes
'_deduced_secd_struct_software.entry_id' 'deduced_secd_struct_software' yes
'_deduced_secd_struct_experiment.entry_id' 'deduced_secd_struct_experiment' yes
'_deduced_secd_struct_exptl.entry_id' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.entry_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond_list.entry_id' 'deduced_h_bond_list' yes
'_deduced_h_bond_software.entry_id' 'deduced_h_bond_software' yes
'_deduced_h_bond_experiment.entry_id' 'deduced_h_bond_experiment' yes
'_deduced_h_bond.entry_id' 'deduced_h_bond' yes
'_conformer_stat_list.entry_id' 'conformer_stat_list' yes
'_conformer_stat_list_ens.entry_id' 'conformer_stat_list_ens' yes
'_conformer_stat_list_rep.entry_id' 'conformer_stat_list_rep' yes
'_conf_stats_software.entry_id' 'conf_stats_software' yes
'_conformer_family_coord_set.entry_id' 'conformer_family_coord_set' yes
'_conformer_family_refinement.entry_id' 'conformer_family_refinement' yes
'_conformer_family_software.entry_id' 'conformer_family_software' yes
'_energetic_penalty_function.entry_id' 'energetic_penalty_function' yes
'_conformer_family_coord_set_expt.entry_id' 'conformer_family_coord_set_expt' yes
'_conf_family_coord_set_constr_list.entry_id' 'conf_family_coord_set_constr_list' yes
'_struct_image.entry_id' 'struct_image' yes
'_atom_site.entry_id' 'atom_site' yes
'_atom_sites_footnote.entry_id' 'atom_sites_footnote' yes
'_representative_conformer.entry_id' 'representative_conformer' yes
'_rep_conf_refinement.entry_id' 'rep_conf_refinement' yes
'_rep_conf_software.entry_id' 'rep_conf_software' yes
'_terminal_residue.entry_id' 'terminal_residue' yes
'_rep_conf.entry_id' 'rep_conf' yes
'_rep_coordinate_details.entry_id' 'rep_coordinate_details' yes
'_constraint_stat_list.entry_id' 'constraint_stat_list' yes
'_constraint_stat_list_ens.entry_id' 'constraint_stat_list_ens' yes
'_constraint_stat_list_rep.entry_id' 'constraint_stat_list_rep' yes
'_constraint_stats_constr_list.entry_id' 'constraint_stats_constr_list' yes
'_constraint_file.entry_id' 'constraint_file' yes
'_force_constant_list.entry_id' 'force_constant_list' yes
'_force_constant_software.entry_id' 'force_constant_software' yes
'_force_constant.entry_id' 'force_constant' yes
'_angular_order_parameter_list.entry_id' 'angular_order_parameter_list' yes
'_angular_order_param.entry_id' 'angular_order_param' yes
'_tertiary_struct_element_list.entry_id' 'tertiary_struct_element_list' yes
'_tertiary_struct_element_sel.entry_id' 'tertiary_struct_element_sel' yes
'_tertiary_struct.entry_id' 'tertiary_struct' yes
'_secondary_struct_list.entry_id' 'secondary_struct_list' yes
'_secondary_struct_sel.entry_id' 'secondary_struct_sel' yes
'_secondary_struct.entry_id' 'secondary_struct' yes
'_bond_annotation_list.entry_id' 'bond_annotation_list' yes
'_bond_annotation.entry_id' 'bond_annotation' yes
'_bond_observed_conformer.entry_id' 'bond_observed_conformer' yes
'_structure_interaction_list.entry_id' 'structure_interaction_list' yes
'_structure_interaction.entry_id' 'structure_interaction' yes
'_observed_conformer.entry_id' 'observed_conformer' yes
'_other_struct_feature_list.entry_id' 'other_struct_feature_list' yes
'_other_struct_feature.entry_id' 'other_struct_feature' yes
'_distance_constraint_list.entry_id' 'distance_constraint_list' yes
'_distance_constraint_software.entry_id' 'distance_constraint_software' yes
'_dist_constr_software_setting.entry_id' 'dist_constr_software_setting' yes
'_distance_constraint_expt.entry_id' 'distance_constraint_expt' yes
'_dist_constraint_tree.entry_id' 'dist_constraint_tree' yes
'_dist_constraint.entry_id' 'dist_constraint' yes
'_dist_constraint_value.entry_id' 'dist_constraint_value' yes
'_dist_constraint_comment_org.entry_id' 'dist_constraint_comment_org' yes
'_dist_constraint_parse_err.entry_id' 'dist_constraint_parse_err' yes
'_dist_constraint_parse_file.entry_id' 'dist_constraint_parse_file' yes
'_dist_constraint_conv_err.entry_id' 'dist_constraint_conv_err' yes
'_floating_chirality_assign.entry_id' 'floating_chirality_assign' yes
'_floating_chirality_software.entry_id' 'floating_chirality_software' yes
'_floating_chirality.entry_id' 'floating_chirality' yes
'_torsion_angle_constraint_list.entry_id' 'torsion_angle_constraint_list' yes
'_torsion_angle_constraint_software.entry_id' 'torsion_angle_constraint_software' yes
'_torsion_angle_constraints_expt.entry_id' 'torsion_angle_constraints_expt' yes
'_karplus_equation.entry_id' 'karplus_equation' yes
'_torsion_angle_constraint.entry_id' 'torsion_angle_constraint' yes
'_ta_constraint_comment_org.entry_id' 'ta_constraint_comment_org' yes
'_ta_constraint_parse_err.entry_id' 'ta_constraint_parse_err' yes
'_ta_constraint_parse_file.entry_id' 'ta_constraint_parse_file' yes
'_ta_constraint_conv_err.entry_id' 'ta_constraint_conv_err' yes
'_rdc_constraint_list.entry_id' 'rdc_constraint_list' yes
'_rdc_constraint_software.entry_id' 'rdc_constraint_software' yes
'_rdc_constraint_expt.entry_id' 'rdc_constraint_expt' yes
'_rdc_constraint.entry_id' 'rdc_constraint' yes
'_rdc_constraint_comment_org.entry_id' 'rdc_constraint_comment_org' yes
'_rdc_constraint_parse_err.entry_id' 'rdc_constraint_parse_err' yes
'_rdc_constraint_parse_file.entry_id' 'rdc_constraint_parse_file' yes
'_rdc_constraint_conv_err.entry_id' 'rdc_constraint_conv_err' yes
'_j_three_bond_constraint_list.entry_id' 'j_three_bond_constraint_list' yes
'_j_three_bond_constraint_software.entry_id' 'j_three_bond_constraint_software' yes
'_j_three_bond_constraint_expt.entry_id' 'j_three_bond_constraint_expt' yes
'_j_three_bond_constraint.entry_id' 'j_three_bond_constraint' yes
'_ca_cb_constraint_list.entry_id' 'ca_cb_constraint_list' yes
'_ca_cb_constraint_software.entry_id' 'ca_cb_constraint_software' yes
'_ca_cb_constraint_expt.entry_id' 'ca_cb_constraint_expt' yes
'_ca_cb_constraint.entry_id' 'ca_cb_constraint' yes
'_h_chem_shift_constraint_list.entry_id' 'h_chem_shift_constraint_list' yes
'_h_chem_shift_constraint_software.entry_id' 'h_chem_shift_constraint_software' yes
'_h_chem_shift_constraint_expt.entry_id' 'h_chem_shift_constraint_expt' yes
'_h_chem_shift_constraint.entry_id' 'h_chem_shift_constraint' yes
'_other_constraint_list.entry_id' 'other_constraint_list' yes
'_other_constraint_expt.entry_id' 'other_constraint_expt' yes
'_other_constraint_software.entry_id' 'other_constraint_software' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_study_list.entry_id' '_entry.id'
'_study.entry_id' '_entry.id'
'_study_keyword.entry_id' '_entry.id'
'_study_entry_list.entry_id' '_entry.id'
'_entry_proc_cycle.entry_id' '_entry.id'
'_entry_prerelease_seq.entry_id' '_entry.id'
'_contact_person.entry_id' '_entry.id'
'_entry_author.entry_id' '_entry.id'
'_sg_project.entry_id' '_entry.id'
'_entry_src.entry_id' '_entry.id'
'_struct_keywords.entry_id' '_entry.id'
'_data_set.entry_id' '_entry.id'
'_datum.entry_id' '_entry.id'
'_release.entry_id' '_entry.id'
'_related_entries.entry_id' '_entry.id'
'_citation.entry_id' '_entry.id'
'_citation_author.entry_id' '_entry.id'
'_citation_keyword.entry_id' '_entry.id'
'_citation_editor.entry_id' '_entry.id'
'_assembly.entry_id' '_entry.id'
'_assembly_type.entry_id' '_entry.id'
'_entity_assembly.entry_id' '_entry.id'
'_struct_asym.entry_id' '_entry.id'
'_assembly_db_link.entry_id' '_entry.id'
'_assembly_common_name.entry_id' '_entry.id'
'_assembly_systematic_name.entry_id' '_entry.id'
'_assembly_interaction.entry_id' '_entry.id'
'_chem_comp_assembly.entry_id' '_entry.id'
'_pdbx_poly_seq_scheme.entry_id' '_entry.id'
'_pdbx_nonpoly_scheme.entry_id' '_entry.id'
'_atom_type.entry_id' '_entry.id'
'_atom.entry_id' '_entry.id'
'_bond.entry_id' '_entry.id'
'_deleted_atom.entry_id' '_entry.id'
'_assembly_bio_function.entry_id' '_entry.id'
'_angle.entry_id' '_entry.id'
'_torsion_angle.entry_id' '_entry.id'
'_assembly_segment.entry_id' '_entry.id'
'_assembly_segment_description.entry_id' '_entry.id'
'_assembly_keyword.entry_id' '_entry.id'
'_assembly_citation.entry_id' '_entry.id'
'_assembly_annotation_list.entry_id' '_entry.id'
'_author_annotation.entry_id' '_entry.id'
'_assembly_subsystem.entry_id' '_entry.id'
'_subsystem_common_name.entry_id' '_entry.id'
'_subsystem_type.entry_id' '_entry.id'
'_subsystem_component.entry_id' '_entry.id'
'_subsystem_keyword.entry_id' '_entry.id'
'_subsystem_biological_function.entry_id' '_entry.id'
'_subsystem_db_link.entry_id' '_entry.id'
'_subsystem_citation.entry_id' '_entry.id'
'_entity.entry_id' '_entry.id'
'_entity_db_link.entry_id' '_entry.id'
'_entity_biological_function.entry_id' '_entry.id'
'_entity_common_name.entry_id' '_entry.id'
'_entity_systematic_name.entry_id' '_entry.id'
'_entity_keyword.entry_id' '_entry.id'
'_entity_comp_index.entry_id' '_entry.id'
'_entity_poly_seq.entry_id' '_entry.id'
'_entity_chimera_segment.entry_id' '_entry.id'
'_entity_comp_index_alt.entry_id' '_entry.id'
'_entity_bond.entry_id' '_entry.id'
'_entity_citation.entry_id' '_entry.id'
'_entity_natural_src_list.entry_id' '_entry.id'
'_entity_natural_src.entry_id' '_entry.id'
'_natural_source_db.entry_id' '_entry.id'
'_entity_experimental_src_list.entry_id' '_entry.id'
'_entity_experimental_src.entry_id' '_entry.id'
'_chem_comp.entry_id' '_entry.id'
'_chem_comp_common_name.entry_id' '_entry.id'
'_chem_comp_systematic_name.entry_id' '_entry.id'
'_chem_comp_smiles.entry_id' '_entry.id'
'_chem_comp_keyword.entry_id' '_entry.id'
'_characteristic.entry_id' '_entry.id'
'_chem_comp_atom.entry_id' '_entry.id'
'_atom_nomenclature.entry_id' '_entry.id'
'_chem_comp_bond.entry_id' '_entry.id'
'_chem_comp_tor.entry_id' '_entry.id'
'_chem_comp_angle.entry_id' '_entry.id'
'_chem_comp_db_link.entry_id' '_entry.id'
'_chem_comp_citation.entry_id' '_entry.id'
'_sample.entry_id' '_entry.id'
'_sample_component.entry_id' '_entry.id'
'_sample_component_atom_isotope.entry_id' '_entry.id'
'_sample_citation.entry_id' '_entry.id'
'_sample_condition_list.entry_id' '_entry.id'
'_sample_condition_variable.entry_id' '_entry.id'
'_sample_condition_citation.entry_id' '_entry.id'
'_entity_purity_list.entry_id' '_entry.id'
'_entity_purity.entry_id' '_entry.id'
'_entity_purity_citation.entry_id' '_entry.id'
'_software.entry_id' '_entry.id'
'_task.entry_id' '_entry.id'
'_vendor.entry_id' '_entry.id'
'_software_citation.entry_id' '_entry.id'
'_method.entry_id' '_entry.id'
'_method_file.entry_id' '_entry.id'
'_method_param.entry_id' '_entry.id'
'_method_citation.entry_id' '_entry.id'
'_nmr_spectrometer.entry_id' '_entry.id'
'_nmr_spectrometer_citation.entry_id' '_entry.id'
'_nmr_spectrometer_list.entry_id' '_entry.id'
'_nmr_spectrometer_view.entry_id' '_entry.id'
'_nmr_spectrometer_probe.entry_id' '_entry.id'
'_nmr_probe.entry_id' '_entry.id'
'_nmr_spectrometer_probe_citation.entry_id' '_entry.id'
'_experiment_list.entry_id' '_entry.id'
'_experiment.entry_id' '_entry.id'
'_nmr_spec_expt.entry_id' '_entry.id'
'_nmr_experiment_file.entry_id' '_entry.id'
'_spectral_acq_param.entry_id' '_entry.id'
'_recoupling_pulse_sequence.entry_id' '_entry.id'
'_decoupling_pulse_sequence.entry_id' '_entry.id'
'_nmr_experiment_citation.entry_id' '_entry.id'
'_nmr_spectral_processing.entry_id' '_entry.id'
'_nmr_spectral_proc_software.entry_id' '_entry.id'
'_spectral_processing_param.entry_id' '_entry.id'
'_computer.entry_id' '_entry.id'
'_computer_citation.entry_id' '_entry.id'
'_chem_shift_reference.entry_id' '_entry.id'
'_chem_shift_ref.entry_id' '_entry.id'
'_assigned_chem_shift_list.entry_id' '_entry.id'
'_chem_shift_experiment.entry_id' '_entry.id'
'_systematic_chem_shift_offset.entry_id' '_entry.id'
'_chem_shift_software.entry_id' '_entry.id'
'_atom_chem_shift.entry_id' '_entry.id'
'_ambiguous_atom_chem_shift.entry_id' '_entry.id'
'_coupling_constant_list.entry_id' '_entry.id'
'_coupling_constant_experiment.entry_id' '_entry.id'
'_coupling_constant_software.entry_id' '_entry.id'
'_coupling_constant.entry_id' '_entry.id'
'_spectral_peak_list.entry_id' '_entry.id'
'_spectral_dim.entry_id' '_entry.id'
'_spectral_peak_software.entry_id' '_entry.id'
'_peak.entry_id' '_entry.id'
'_peak_general_char.entry_id' '_entry.id'
'_peak_char.entry_id' '_entry.id'
'_peak_contribution.entry_id' '_entry.id'
'_assigned_peak_chem_shift.entry_id' '_entry.id'
'_resonance_linker_list.entry_id' '_entry.id'
'_resonance.entry_id' '_entry.id'
'_resonance_assignment.entry_id' '_entry.id'
'_spin_system.entry_id' '_entry.id'
'_chem_shift_isotope_effect_list.entry_id' '_entry.id'
'_isotope_effect_experiment.entry_id' '_entry.id'
'_isotope_effect_software.entry_id' '_entry.id'
'_isotope_effect.entry_id' '_entry.id'
'_isotope_label_pattern.entry_id' '_entry.id'
'_mol_interaction_chem_shift_diff.entry_id' '_entry.id'
'_mol_interaction_diff_experiment.entry_id' '_entry.id'
'_mol_interaction_diff_software.entry_id' '_entry.id'
'_mol_interaction_chem_shift.entry_id' '_entry.id'
'_chem_shift_anisotropy.entry_id' '_entry.id'
'_cs_anisotropy_experiment.entry_id' '_entry.id'
'_cs_anisotropy_software.entry_id' '_entry.id'
'_cs_anisotropy.entry_id' '_entry.id'
'_chem_shifts_calc_type.entry_id' '_entry.id'
'_chem_shifts_calc_software.entry_id' '_entry.id'
'_chem_shielding_tensor_list.entry_id' '_entry.id'
'_chem_shielding_tensor.entry_id' '_entry.id'
'_theoretical_chem_shift_list.entry_id' '_entry.id'
'_theoretical_chem_shift.entry_id' '_entry.id'
'_rdc_list.entry_id' '_entry.id'
'_rdc_experiment.entry_id' '_entry.id'
'_rdc_software.entry_id' '_entry.id'
'_rdc.entry_id' '_entry.id'
'_dipolar_coupling_list.entry_id' '_entry.id'
'_dipolar_coupling_experiment.entry_id' '_entry.id'
'_dipolar_coupling_software.entry_id' '_entry.id'
'_dipolar_coupling.entry_id' '_entry.id'
'_spectral_density_list.entry_id' '_entry.id'
'_spectral_density_experiment.entry_id' '_entry.id'
'_spectral_density_software.entry_id' '_entry.id'
'_spectral_density.entry_id' '_entry.id'
'_other_data_type_list.entry_id' '_entry.id'
'_other_data_experiment.entry_id' '_entry.id'
'_other_data_software.entry_id' '_entry.id'
'_other_data.entry_id' '_entry.id'
'_h_exch_rate_list.entry_id' '_entry.id'
'_h_exch_rate_experiment.entry_id' '_entry.id'
'_h_exch_rate_software.entry_id' '_entry.id'
'_h_exch_rate.entry_id' '_entry.id'
'_h_exch_protection_factor_list.entry_id' '_entry.id'
'_h_exch_protection_fact_experiment.entry_id' '_entry.id'
'_h_exch_protect_fact_software.entry_id' '_entry.id'
'_h_exch_protection_factor.entry_id' '_entry.id'
'_homonucl_noe_list.entry_id' '_entry.id'
'_homonucl_noe_experiment.entry_id' '_entry.id'
'_homonucl_noe_software.entry_id' '_entry.id'
'_homonucl_noe.entry_id' '_entry.id'
'_heteronucl_noe_list.entry_id' '_entry.id'
'_heteronucl_noe_experiment.entry_id' '_entry.id'
'_heteronucl_noe_software.entry_id' '_entry.id'
'_heteronucl_noe.entry_id' '_entry.id'
'_heteronucl_t1_list.entry_id' '_entry.id'
'_heteronucl_t1_experiment.entry_id' '_entry.id'
'_heteronucl_t1_software.entry_id' '_entry.id'
'_t1.entry_id' '_entry.id'
'_heteronucl_t1rho_list.entry_id' '_entry.id'
'_heteronucl_t1rho_experiment.entry_id' '_entry.id'
'_heteronucl_t1rho_software.entry_id' '_entry.id'
'_t1rho.entry_id' '_entry.id'
'_heteronucl_t2_list.entry_id' '_entry.id'
'_heteronucl_t2_experiment.entry_id' '_entry.id'
'_heteronucl_t2_software.entry_id' '_entry.id'
'_t2.entry_id' '_entry.id'
'_dipole_dipole_relax_list.entry_id' '_entry.id'
'_dipole_dipole_relax_experiment.entry_id' '_entry.id'
'_dipole_dipole_relax_software.entry_id' '_entry.id'
'_dipole_dipole_relax.entry_id' '_entry.id'
'_cross_correlation_dd_list.entry_id' '_entry.id'
'_cross_correlation_dd_experiment.entry_id' '_entry.id'
'_cross_correlation_dd_software.entry_id' '_entry.id'
'_cross_correlation_dd.entry_id' '_entry.id'
'_cross_correlation_d_csa_list.entry_id' '_entry.id'
'_cross_correlation_d_csa_experiment.entry_id' '_entry.id'
'_cross_correlation_d_csa_software.entry_id' '_entry.id'
'_cross_correlation_d_csa.entry_id' '_entry.id'
'_order_parameter_list.entry_id' '_entry.id'
'_order_parameter_experiment.entry_id' '_entry.id'
'_order_parameter_software.entry_id' '_entry.id'
'_order_param.entry_id' '_entry.id'
'_ph_titration_list.entry_id' '_entry.id'
'_ph_titration_experiment.entry_id' '_entry.id'
'_ph_titration_software.entry_id' '_entry.id'
'_ph_titr_result.entry_id' '_entry.id'
'_ph_param_list.entry_id' '_entry.id'
'_ph_param.entry_id' '_entry.id'
'_d_h_fractionation_factor_list.entry_id' '_entry.id'
'_d_h_fract_factor_experiment.entry_id' '_entry.id'
'_d_h_fract_factor_software.entry_id' '_entry.id'
'_d_h_fractionation_factor.entry_id' '_entry.id'
'_deduced_secd_struct_list.entry_id' '_entry.id'
'_deduced_secd_struct_software.entry_id' '_entry.id'
'_deduced_secd_struct_experiment.entry_id' '_entry.id'
'_deduced_secd_struct_exptl.entry_id' '_entry.id'
'_deduced_secd_struct_feature.entry_id' '_entry.id'
'_deduced_h_bond_list.entry_id' '_entry.id'
'_deduced_h_bond_software.entry_id' '_entry.id'
'_deduced_h_bond_experiment.entry_id' '_entry.id'
'_deduced_h_bond.entry_id' '_entry.id'
'_conformer_stat_list.entry_id' '_entry.id'
'_conformer_stat_list_ens.entry_id' '_entry.id'
'_conformer_stat_list_rep.entry_id' '_entry.id'
'_conf_stats_software.entry_id' '_entry.id'
'_conformer_family_coord_set.entry_id' '_entry.id'
'_conformer_family_refinement.entry_id' '_entry.id'
'_conformer_family_software.entry_id' '_entry.id'
'_energetic_penalty_function.entry_id' '_entry.id'
'_conformer_family_coord_set_expt.entry_id' '_entry.id'
'_conf_family_coord_set_constr_list.entry_id' '_entry.id'
'_struct_image.entry_id' '_entry.id'
'_atom_site.entry_id' '_entry.id'
'_atom_sites_footnote.entry_id' '_entry.id'
'_representative_conformer.entry_id' '_entry.id'
'_rep_conf_refinement.entry_id' '_entry.id'
'_rep_conf_software.entry_id' '_entry.id'
'_terminal_residue.entry_id' '_entry.id'
'_rep_conf.entry_id' '_entry.id'
'_rep_coordinate_details.entry_id' '_entry.id'
'_constraint_stat_list.entry_id' '_entry.id'
'_constraint_stat_list_ens.entry_id' '_entry.id'
'_constraint_stat_list_rep.entry_id' '_entry.id'
'_constraint_stats_constr_list.entry_id' '_entry.id'
'_constraint_file.entry_id' '_entry.id'
'_force_constant_list.entry_id' '_entry.id'
'_force_constant_software.entry_id' '_entry.id'
'_force_constant.entry_id' '_entry.id'
'_angular_order_parameter_list.entry_id' '_entry.id'
'_angular_order_param.entry_id' '_entry.id'
'_tertiary_struct_element_list.entry_id' '_entry.id'
'_tertiary_struct_element_sel.entry_id' '_entry.id'
'_tertiary_struct.entry_id' '_entry.id'
'_secondary_struct_list.entry_id' '_entry.id'
'_secondary_struct_sel.entry_id' '_entry.id'
'_secondary_struct.entry_id' '_entry.id'
'_bond_annotation_list.entry_id' '_entry.id'
'_bond_annotation.entry_id' '_entry.id'
'_bond_observed_conformer.entry_id' '_entry.id'
'_structure_interaction_list.entry_id' '_entry.id'
'_structure_interaction.entry_id' '_entry.id'
'_observed_conformer.entry_id' '_entry.id'
'_other_struct_feature_list.entry_id' '_entry.id'
'_other_struct_feature.entry_id' '_entry.id'
'_distance_constraint_list.entry_id' '_entry.id'
'_distance_constraint_software.entry_id' '_entry.id'
'_dist_constr_software_setting.entry_id' '_entry.id'
'_distance_constraint_expt.entry_id' '_entry.id'
'_dist_constraint_tree.entry_id' '_entry.id'
'_dist_constraint.entry_id' '_entry.id'
'_dist_constraint_value.entry_id' '_entry.id'
'_dist_constraint_comment_org.entry_id' '_entry.id'
'_dist_constraint_parse_err.entry_id' '_entry.id'
'_dist_constraint_parse_file.entry_id' '_entry.id'
'_dist_constraint_conv_err.entry_id' '_entry.id'
'_floating_chirality_assign.entry_id' '_entry.id'
'_floating_chirality_software.entry_id' '_entry.id'
'_floating_chirality.entry_id' '_entry.id'
'_torsion_angle_constraint_list.entry_id' '_entry.id'
'_torsion_angle_constraint_software.entry_id' '_entry.id'
'_torsion_angle_constraints_expt.entry_id' '_entry.id'
'_karplus_equation.entry_id' '_entry.id'
'_torsion_angle_constraint.entry_id' '_entry.id'
'_ta_constraint_comment_org.entry_id' '_entry.id'
'_ta_constraint_parse_err.entry_id' '_entry.id'
'_ta_constraint_parse_file.entry_id' '_entry.id'
'_ta_constraint_conv_err.entry_id' '_entry.id'
'_rdc_constraint_list.entry_id' '_entry.id'
'_rdc_constraint_software.entry_id' '_entry.id'
'_rdc_constraint_expt.entry_id' '_entry.id'
'_rdc_constraint.entry_id' '_entry.id'
'_rdc_constraint_comment_org.entry_id' '_entry.id'
'_rdc_constraint_parse_err.entry_id' '_entry.id'
'_rdc_constraint_parse_file.entry_id' '_entry.id'
'_rdc_constraint_conv_err.entry_id' '_entry.id'
'_j_three_bond_constraint_list.entry_id' '_entry.id'
'_j_three_bond_constraint_software.entry_id' '_entry.id'
'_j_three_bond_constraint_expt.entry_id' '_entry.id'
'_j_three_bond_constraint.entry_id' '_entry.id'
'_ca_cb_constraint_list.entry_id' '_entry.id'
'_ca_cb_constraint_software.entry_id' '_entry.id'
'_ca_cb_constraint_expt.entry_id' '_entry.id'
'_ca_cb_constraint.entry_id' '_entry.id'
'_h_chem_shift_constraint_list.entry_id' '_entry.id'
'_h_chem_shift_constraint_software.entry_id' '_entry.id'
'_h_chem_shift_constraint_expt.entry_id' '_entry.id'
'_h_chem_shift_constraint.entry_id' '_entry.id'
'_other_constraint_list.entry_id' '_entry.id'
'_other_constraint_expt.entry_id' '_entry.id'
'_other_constraint_software.entry_id' '_entry.id'
stop_
loop_
_item_examples.case
;
4181
;
stop_
_item_type.code 'code'
save_
save__entry.title
_item_description.description
;
A descriptive title for the entry. Something similar to the title of a
scientific paper.
;
_item.name '_entry.title'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
Backbone 1H$ 13C$ and 15N Chemical Shift Assignments for Lysozyme
;
stop_
_item_type.code 'text'
save_
save__entry.version_type
_item_description.description
;
Defines whether the current version of the entry is the original version
or an updated version.
;
_item.name '_entry.version_type'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
original ?
update ?
obsolete ?
stop_
loop_
_item_examples.case
;
original
;
stop_
_item_default.value 'new'
_item_type.code 'line'
save_
save__entry.submission_date
_item_description.description
;
Date the entry was submitted to BMRB.
;
_item.name '_entry.submission_date'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
1999-07-03
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.accession_date
_item_description.description
;
Date BMRB accession number was assigned to the entry.
;
_item.name '_entry.accession_date'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
1999-07-04
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.last_release_date
_item_description.description
;
Date the current version of th entry was released.
;
_item.name '_entry.last_release_date'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
2002-01-12
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.original_release_date
_item_description.description
;
Date the entry was originally released.
;
_item.name '_entry.original_release_date'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
2002-03-21
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.origination
_item_description.description
;
The value to this tag defines who entered the original data into the database.
Entries taken from the literature and entered by BMRB staff are marked
'BMRB.' Entries supplied by authors are marked 'author' and entries taken from
the PDB will be marked 'PDB.'
;
_item.name '_entry.origination'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_examples.case
;
author
;
stop_
_item_default.value 'author'
_item_type.code 'line'
save_
save__entry.nmr_star_version
_item_description.description
;
Version of NMR-STAR in which the current entry is formatted.
;
_item.name '_entry.nmr_star_version'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
1.0 ?
2.0 ?
2.1 ?
2.1.1 ?
3.1 ?
stop_
loop_
_item_examples.case
;
2.1.1
;
stop_
_item_default.value '3.0.8.34'
_item_type.code 'line'
save_
save__entry.original_nmr_star_version
_item_description.description
;
Version of NMR-STAR in which the original entry was generated.
;
_item.name '_entry.original_nmr_star_version'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
1.0 ?
2.0 ?
2.1 ?
2.1.1 ?
3.1 ?
stop_
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'line'
save_
save__entry.experimental_method
_item_description.description
;
The experimental method used to gather the data in the entry is given as
the value to this tag.
;
_item.name '_entry.experimental_method'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
NMR ?
stop_
loop_
_item_examples.case
;
NMR
;
stop_
_item_default.value 'NMR'
_item_type.code 'line'
save_
save__entry.experimental_method_subtype
_item_description.description
;
Enter the type of NMR method used (e.g., solution, solid-state (powder),
theoretical, etc.).
;
_item.name '_entry.experimental_method_subtype'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
solution 'Experiments using solution samples'
'solid-state (powder)' 'Experiments using powdered samples'
'solid-state (single crystal)' 'Experiments using single crystals'
theoretical 'Data derived from theoretical calculations'
stop_
loop_
_item_examples.case
;
Solution
;
stop_
_item_default.value 'solution'
_item_type.code 'line'
save_
save__entry.dep_release_code_coordinates
_item_description.description
;
Select the status or terms to be applied for the release of the atomic
coordinate data to the public. Depositors are encourage to make their data available
to the public as quickly as possible. However, requests may be made to hold
the data for a limited period of time up to one year or until the manuscript reporting
the data is published.
;
_item.name '_entry.dep_release_code_coordinates'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'RELEASE NOW' 'Release immediately'
'HOLD FOR PUBLICATION' 'Hold until primary citation is published'
'HOLD FOR 6 WEEKS' 'Hold for 6 weeks'
'HOLD FOR 6 MONTHS' 'Hold for 6 months'
'HOLD FOR 1 YEAR' 'Hold for 1 year'
stop_
loop_
_item_examples.case
;
RELEASE NOW
;
stop_
_item_default.value 'HOLD FOR PUBLICATION'
_item_type.code 'line'
save_
save__entry.dep_release_code_nmr_constraints
_item_description.description
;
Select the status or terms to be applied for the release of the NMR constraint
data to the public. Depositors are encourage to make their data available
to the public as quickly as possible. However, requests may be made to hold the
data for a limited period of time up to one year or until the manuscript reporting
the data is published.
;
_item.name '_entry.dep_release_code_nmr_constraints'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'RELEASE NOW' 'Release immediately'
'HOLD FOR PUBLICATION' 'Hold until primary citation is published'
'HOLD FOR 6 MONTHS' 'Hold for 6 months'
'HOLD FOR 1 YEAR' 'Hold for 1 year'
stop_
loop_
_item_examples.case
;
RELEASE NOW
;
stop_
_item_default.value 'HOLD FOR PUBLICATION'
_item_type.code 'line'
save_
save__entry.dep_release_code_nmr_exptl
_item_description.description
;
Select the status or terms to be applied for the release of the NMR experimental
data to the public. Depositors are encourage to make their data available
to the public as quickly as possible. However, requests may be made to hold
the data for a limited period of time up to one year or until the manuscript reporting
the data is published.
;
_item.name '_entry.dep_release_code_nmr_exptl'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'RELEASE NOW' 'Release immediately'
'HOLD FOR PUBLICATION' 'Hold until primary citation is published'
'HOLD FOR 6 MONTHS' 'Hold for 6 months'
'HOLD FOR 1 YEAR' 'Hold for 1 year'
stop_
loop_
_item_examples.case
;
RELEASE NOW
;
stop_
_item_default.value 'HOLD FOR PUBLICATION'
_item_type.code 'line'
save_
save__entry.dep_release_code_sequence
_item_description.description
;
Select the status or terms to be applied for the prerelease of the sequence
information for the biopolymers to the public. Although the atomic coordinate
and other data may be placed 'on hold', immediate release of the polymer sequence
data will allow others, including the structural genomics centers, to identify
polymers that have been studied and to select other targets reducing duplicate
effort.
;
_item.name '_entry.dep_release_code_sequence'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'RELEASE NOW' 'Release sequence information in status reports immediately'
'HOLD FOR RELEASE' ?
stop_
loop_
_item_examples.case
;
RELEASE NOW
;
stop_
_item_default.value 'RELEASE NOW'
_item_type.code 'line'
save_
save__entry.casp_target
_item_description.description
;
?
;
_item.name '_entry.casp_target'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
? ?
stop_
loop_
_item_examples.case
;
no
;
stop_
_item_type.code 'yes_no'
save_
save__entry.details
_item_description.description
;
An optional text description of the entry used to provide additional information
above that given as values to other items in the entry.
;
_item.name '_entry.details'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entry.pdb_update_details
_item_description.description
;
?
;
_item.name '_entry.pdb_update_details'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
This deposition represents a further refinement of the previously deposited structure.
;
stop_
_item_type.code 'text'
save_
save__entry.release_request
_item_description.description
;
The condition choosen by the author for the release of the entry.
;
_item.name '_entry.release_request'
_item.category_id 'entry'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
Immediately ?
'On publication' ?
'In one year' ?
'At a specific future date' ?
stop_
loop_
_item_examples.case
;
Immediate; On publication; Specific date; One year hold
;
stop_
_item_type.code 'line'
save_
save__entry.status_code
_item_description.description
;
Code for status of file.
;
_item.name '_entry.status_code'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
REL
;
stop_
_item_type.code 'line'
save_
save__entry.recvd_deposit_form
_item_description.description
;
This code indicates whether the deposition form for an entry has been received.
;
_item.name '_entry.recvd_deposit_form'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__entry.date_deposition_form
_item_description.description
;
The date the deposition form is received.
;
_item.name '_entry.date_deposition_form'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.recvd_coordinates
_item_description.description
;
This code indicates whether the coordinates for an entry have been received.
;
_item.name '_entry.recvd_coordinates'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__entry.date_coordinates
_item_description.description
;
The date the coordinates are received.
;
_item.name '_entry.date_coordinates'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.recvd_nmr_constraints
_item_description.description
;
This code indicates whether the NMR constraint data for an entry have been
received.
;
_item.name '_entry.recvd_nmr_constraints'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__entry.date_nmr_constraints
_item_description.description
;
The date the NMR constraints are received.
;
_item.name '_entry.date_nmr_constraints'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.recvd_manuscript
_item_description.description
;
This code indicates whether the manuscript for an entry has been received.
;
_item.name '_entry.recvd_manuscript'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__entry.date_manuscript
_item_description.description
;
The date the manuscript is received.
;
_item.name '_entry.date_manuscript'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.recvd_author_approval
_item_description.description
;
This code indicates whether the author's approval for an entry has been
received.
;
_item.name '_entry.recvd_author_approval'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__entry.date_author_approval
_item_description.description
;
The date the author's approval is received.
;
_item.name '_entry.date_author_approval'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.recvd_initial_deposition_date
_item_description.description
;
The date of initial deposition. (The first message for deposition has been
received.)
;
_item.name '_entry.recvd_initial_deposition_date'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.pdb_date_submitted
_item_description.description
;
The date of complete deposition. This corresponds to the date at which
the PDB identifier is assigned.
;
_item.name '_entry.pdb_date_submitted'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.author_release_status_code
_item_description.description
;
The release status authorized by the depositor.
;
_item.name '_entry.author_release_status_code'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
REL
;
stop_
_item_type.code 'line'
save_
save__entry.date_of_pdb_release
_item_description.description
;
PDB release date. This is the date that appears in the PDB REVDAT record.
;
_item.name '_entry.date_of_pdb_release'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.date_hold_coordinates
_item_description.description
;
At an author's request, a coordinate entry may be held after processing
for some period of time.
;
_item.name '_entry.date_hold_coordinates'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.date_hold_nmr_constraints
_item_description.description
;
At an author's request, the NMR constraint data may be held after processing
for some period of time.
;
_item.name '_entry.date_hold_nmr_constraints'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry.pdb_deposit_site
_item_description.description
;
The site where the file was deposited.
;
_item.name '_entry.pdb_deposit_site'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
BMRB
;
stop_
_item_default.value 'BMRB'
_item_type.code 'line'
save_
save__entry.pdb_process_site
_item_description.description
;
The site where the file was processed.
;
_item.name '_entry.pdb_process_site'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
RCSB
;
stop_
_item_default.value 'RCSB'
_item_type.code 'line'
save_
save__entry.bmrb_deposit_site
_item_description.description
;
?
;
_item.name '_entry.bmrb_deposit_site'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
BMRB
;
stop_
_item_default.value 'BMRB'
_item_type.code 'line'
save_
save__entry.bmrb_process_site
_item_description.description
;
?
;
_item.name '_entry.bmrb_process_site'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
BMRB
;
stop_
_item_default.value 'BMRB'
_item_type.code 'line'
save_
save__entry.rcsb_annotator
_item_description.description
;
?
;
_item.name '_entry.rcsb_annotator'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_default.value 'UNASSIGNED'
_item_type.code 'line'
save_
save__entry.author_approval_type
_item_description.description
;
This code indicates whether the author's approval for an entry was received
explicitly or implicitly. The latter is automatically implied by failure to
respond to the validation summary within the prescribed period.
;
_item.name '_entry.author_approval_type'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
implicit = automatic approval by failure to acknowledge; explicit = approval via depositor acknowledgement
;
stop_
_item_type.code 'line'
save_
save__entry.assigned_bmrb_id
_item_description.description
;
?
;
_item.name '_entry.assigned_bmrb_id'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entry.assigned_bmrb_deposition_code
_item_description.description
;
?
;
_item.name '_entry.assigned_bmrb_deposition_code'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entry.assigned_pdb_id
_item_description.description
;
?
;
_item.name '_entry.assigned_pdb_id'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entry.assigned_pdb_deposition_code
_item_description.description
;
?
;
_item.name '_entry.assigned_pdb_deposition_code'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entry.assigned_restart_id
_item_description.description
;
?
;
_item.name '_entry.assigned_restart_id'
_item.category_id 'entry'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save_entry_proc_cycle
_category.description
;
Items in the entry_proc_cycle category provide information about the processing of an entry.
;
_category.id 'entry_proc_cycle'
_category.mandatory_code yes
loop_
_category_key.name
'_entry_proc_cycle.cycle_id'
'_entry_proc_cycle.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entry_proc_cycle.cycle_id
_item_description.description
;
This is a number of the processing cycle.
;
_item.name '_entry_proc_cycle.cycle_id'
_item.category_id 'entry_proc_cycle'
_item.mandatory_code no
loop_
_item_examples.case
;
1 for the initial cycle
;
stop_
_item_type.code 'int'
save_
save__entry_proc_cycle.date_begin_cycle
_item_description.description
;
This is the date of the start of the processing cycle.
;
_item.name '_entry_proc_cycle.date_begin_cycle'
_item.category_id 'entry_proc_cycle'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry_proc_cycle.date_end_cycle
_item_description.description
;
This is the date of the end of the processing cycle.
;
_item.name '_entry_proc_cycle.date_end_cycle'
_item.category_id 'entry_proc_cycle'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entry_proc_cycle.details
_item_description.description
;
Special details about the current processing cycle.
;
_item.name '_entry_proc_cycle.details'
_item.category_id 'entry_proc_cycle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entry_proc_cycle.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entry_proc_cycle.entry_id'
_item.category_id 'entry_proc_cycle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_entry_prerelease_seq
_category.description
;
Items in the entry_prerelease_seq category capture the sequences in one-letter form of entities that can be released to the public before the release of the full entry.
;
_category.id 'entry_prerelease_seq'
_category.mandatory_code yes
loop_
_category_key.name
'_entry_prerelease_seq.entity_id'
'_entry_prerelease_seq.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entry_prerelease_seq.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entry_prerelease_seq.entity_id'
_item.category_id 'entry_prerelease_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entry_prerelease_seq.entity_label
_item_description.description
;
STAR framecode for the entity whose residue sequence is being provided
as the value to the tag '_Entry_prerelease_seq.Seq_one_letter_code'.
;
_item.name '_entry_prerelease_seq.entity_label'
_item.category_id 'entry_prerelease_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entry_prerelease_seq.seq_one_letter_code
_item_description.description
;
Chemical sequence expressed as a string of one-letter amino acid or nucleic
acid codes.
;
_item.name '_entry_prerelease_seq.seq_one_letter_code'
_item.category_id 'entry_prerelease_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entry_prerelease_seq.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entry_prerelease_seq.entry_id'
_item.category_id 'entry_prerelease_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_contact_person
_category.description
;
Items in the contact_person category capture information about the people that can be contacted to provide answers to questions raised during the annotation and processing of an entry.
;
_category.id 'contact_person'
_category.mandatory_code yes
loop_
_category_key.name
'_contact_person.id'
'_contact_person.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__contact_person.id
_item_description.description
;
Unique identifier within the entry for the named contact person.
;
_item.name '_contact_person.id'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__contact_person.email_address
_item_description.description
;
Business e-mail address for the contact person.
;
_item.name '_contact_person.email_address'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
jsmith@home_addr.gov
;
stop_
_item_type.code 'email'
save_
save__contact_person.name_salutation
_item_description.description
;
The salutation of the author of the deposition to whom correspondence should
be addressed
;
_item.name '_contact_person.name_salutation'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
Dr. n.a.
Prof. n.a.
Mr. n.a.
Ms. n.a.
Mrs. n.a.
stop_
loop_
_item_examples.case
;
Dr.
;
stop_
_item_type.code 'line'
save_
save__contact_person.given_name
_item_description.description
;
The name given the contact person at birth or currently used by the author
for publication purposes. Can be an initial if the author uses a second name
as a full name when publishing.
;
_item.name '_contact_person.given_name'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
John
;
stop_
_item_type.code 'line'
save_
save__contact_person.family_name
_item_description.description
;
The family name for the contact person.
;
_item.name '_contact_person.family_name'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
Smith
;
stop_
_item_type.code 'line'
save_
save__contact_person.middle_initials
_item_description.description
;
The initials for the contact person's middle names. A name can be used
here if the contact person uses a middle name for publications.
;
_item.name '_contact_person.middle_initials'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_examples.case
;
T.L.
;
stop_
_item_type.code 'line'
save_
save__contact_person.family_title
_item_description.description
;
A common family title (not a professional title).
;
_item.name '_contact_person.family_title'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
Sr. Senior
Jr. Junior
I First
II Second
III Third
IV Fourth
stop_
loop_
_item_examples.case
;
III
;
stop_
_item_type.code 'line'
save_
save__contact_person.department_and_institution
_item_description.description
;
Department and institution where the contact person works.
;
_item.name '_contact_person.department_and_institution'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_examples.case
;
Chemistry Dept.$ Rutgers Univ.
;
stop_
_item_type.code 'text'
save_
save__contact_person.mailing_address
_item_description.description
;
A business mailing address for the contact person.
;
_item.name '_contact_person.mailing_address'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_examples.case
;
123 Hose Ln
;
stop_
_item_type.code 'text'
save_
save__contact_person.address_1
_item_description.description
;
The mailing address of the author of the entry to whom correspondence should
be addressed, line 1 of 3.
;
_item.name '_contact_person.address_1'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
123 Hose Ln
;
stop_
_item_type.code 'text'
save_
save__contact_person.address_2
_item_description.description
;
The mailing address of the author of the entry to whom correspondence should
be addressed, line 2 of 3.
;
_item.name '_contact_person.address_2'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_examples.case
;
Chemistry Dept.
;
stop_
_item_type.code 'text'
save_
save__contact_person.address_3
_item_description.description
;
The mailing address of the author of the entry to whom correspondence should
be addressed, line 3 of 3.
;
_item.name '_contact_person.address_3'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_examples.case
;
Rutgers Univ.
;
stop_
_item_type.code 'text'
save_
save__contact_person.city
_item_description.description
;
The city in the mailing address of the author of the entry to whom correspondence
should be addresed.
;
_item.name '_contact_person.city'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
Piscataway
;
stop_
_item_type.code 'line'
save_
save__contact_person.state_province
_item_description.description
;
State or province where the contact person is located.
;
_item.name '_contact_person.state_province'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
New Jersey
;
stop_
_item_type.code 'line'
save_
save__contact_person.country
_item_description.description
;
The country in the mailing address of the author of the entry to whom correspondence
should be addresed.
;
_item.name '_contact_person.country'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
USA
;
stop_
_item_type.code 'line'
save_
save__contact_person.postal_code
_item_description.description
;
The postal code or zip code for the address of the contact person to whom
correspondence should be addressed.
;
_item.name '_contact_person.postal_code'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_examples.case
;
8854
;
stop_
_item_type.code 'line'
save_
save__contact_person.phone_number
_item_description.description
;
A business telephone number for the contact person.
;
_item.name '_contact_person.phone_number'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
+1 123 456 7890
;
stop_
_item_type.code 'phone'
save_
save__contact_person.fax_number
_item_description.description
;
Business FAX number for the contact person.
;
_item.name '_contact_person.fax_number'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_examples.case
;
+1 123 789 4560
;
stop_
_item_type.code 'fax'
save_
save__contact_person.role
_item_description.description
;
The role of this author in the project depositing this data.
;
_item.name '_contact_person.role'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'principal investigator' 'n.a.'
'responsible scientist' 'n.a.'
investigator 'n.a.'
stop_
loop_
_item_examples.case
;
principal investigator
;
stop_
_item_default.value 'principal investigator'
_item_type.code 'line'
save_
save__contact_person.organization_type
_item_description.description
;
The organization type to which this author is affiliated.
;
_item.name '_contact_person.organization_type'
_item.category_id 'contact_person'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
academic ?
commercial ?
government ?
other ?
stop_
loop_
_item_examples.case
;
academic
;
stop_
_item_default.value 'academic'
_item_type.code 'line'
save_
save__contact_person.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_contact_person.entry_id'
_item.category_id 'contact_person'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_entry_author
_category.description
;
Items in the entry_author category define the names of the authors of an entry.
;
_category.id 'entry_author'
_category.mandatory_code yes
loop_
_category_key.name
'_entry_author.ordinal'
'_entry_author.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entry_author.ordinal
_item_description.description
;
Integer value defining the position of the author's name in the list of authors.
;
_item.name '_entry_author.ordinal'
_item.category_id 'entry_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__entry_author.given_name
_item_description.description
;
The name given the author at birth or currently used by the author for
publication purposes. Can be an initial if the author uses a second name as a full
name when publishing.
;
_item.name '_entry_author.given_name'
_item.category_id 'entry_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
Adlai
;
stop_
_item_type.code 'line'
save_
save__entry_author.family_name
_item_description.description
;
The family name of the author.
;
_item.name '_entry_author.family_name'
_item.category_id 'entry_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
Stevenson
;
stop_
_item_type.code 'line'
save_
save__entry_author.first_initial
_item_description.description
;
Initial of the author's first name.
;
_item.name '_entry_author.first_initial'
_item.category_id 'entry_author'
_item.mandatory_code no
loop_
_item_examples.case
;
A.
;
stop_
_item_type.code 'line'
save_
save__entry_author.middle_initials
_item_description.description
;
The initials for the author's middle names. A name can be used here if
the author uses a middle name for publications.
;
_item.name '_entry_author.middle_initials'
_item.category_id 'entry_author'
_item.mandatory_code no
loop_
_item_examples.case
;
T.L.
;
stop_
_item_type.code 'line'
save_
save__entry_author.family_title
_item_description.description
;
A common family title (not a professional title).
;
_item.name '_entry_author.family_title'
_item.category_id 'entry_author'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
Sr. Senior
Jr. Junior
I First
II Second
III Third
IV Fourth
stop_
loop_
_item_examples.case
;
Jr.
;
stop_
_item_type.code 'line'
save_
save__entry_author.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entry_author.entry_id'
_item.category_id 'entry_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_sg_project
_category.description
;
Items in the SG_project category describe the structural genomics project that is the source of the data in an entry.
;
_category.id 'sg_project'
_category.mandatory_code yes
loop_
_category_key.name
'_sg_project.sg_project_id'
'_sg_project.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__sg_project.sg_project_id
_item_description.description
;
A unique integer identifier for this center
;
_item.name '_sg_project.sg_project_id'
_item.category_id 'sg_project'
_item.mandatory_code yes
loop_
_item_examples.case
;
1; 2; 3
;
stop_
_item_type.code 'int'
save_
save__sg_project.project_name
_item_description.description
;
The value identifies the Structural Genomics project of the granting agency.
;
_item.name '_sg_project.project_name'
_item.category_id 'sg_project'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'PSI Protein Structure Initiative' 'n.a.'
'NPPSFA National Project on Protein Structural and Functional Analyses' 'n.a.'
stop_
loop_
_item_examples.case
;
PSI (Protein Structure Initiative)
;
stop_
_item_type.code 'text'
save_
save__sg_project.full_name_of_center
_item_description.description
;
The value identifies the full name of center.
;
_item.name '_sg_project.full_name_of_center'
_item.category_id 'sg_project'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'Bacterial targets at IGS-CNRS France' ?
'Berkeley Structural Genomics Center' ?
'Center for Eukaryotic Structural Genomics' ?
'Israel Structural Proteomics Center' ?
'Joint Center for Structural Genomics' ?
'Marseilles Structural Genomics Program @ AFMB' ?
'Midwest Center for Structural Genomics' ?
'Montreal-Kingston Bacterial Structural Genomics Initiative' ?
'Mycobacterium Tuberculosis Structural Proteomics Project' ?
'New York Structural Genomics Research Consortium' ?
'Northeast Structural Genomics Consortium' ?
'Oxford Protein Production Facility' ?
'Paris-Sud Yeast Structural Genomics' ?
'Protein Structure Factory' ?
'RIKEN Structural Genomics/Proteomics Initiative' ?
'Southeast Collaboratory for Structural Genomics' ?
'Structural Genomics Consortium' ?
'Structural Genomics of Pathogenic Protozoa Consortium' ?
'Structural Proteomics in Europe' ?
'Structure 2 Function Project' ?
'TB Structural Genomics Consortium' ?
stop_
loop_
_item_examples.case
;
Berkeley Structural Genomics Center
;
stop_
_item_type.code 'text'
save_
save__sg_project.initial_of_center
_item_description.description
;
The value identifies the center using initials or other abbreviation.
;
_item.name '_sg_project.initial_of_center'
_item.category_id 'sg_project'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
BIGS ?
BSGC ?
CESG ?
ISPC ?
JCSG ?
MSGP ?
MCSG ?
BSGI ?
XMTB ?
NYSGRC ?
NESG ?
OPPF ?
YSG ?
PSF ?
RSGI ?
SECSG ?
SGC ?
SGPP ?
SPINE ?
S2F ?
TBSGC ?
stop_
loop_
_item_examples.case
;
BSGC
;
stop_
_item_type.code 'text'
save_
save__sg_project.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sg_project.entry_id'
_item.category_id 'sg_project'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_entry_src
_category.description
;
Items in the entry_src category describe the organization that is the source of the data in an entry.
;
_category.id 'entry_src'
_category.mandatory_code yes
loop_
_category_key.name
'_entry_src.project_name'
'_entry_src.organization_initials'
'_entry_src.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entry_src.project_name
_item_description.description
;
Name of the project under which the data reported in an entry was sponsored
or funded. This might be the title for a grant funding the research or the
name of the overall project defined by a granting agency.
;
_item.name '_entry_src.project_name'
_item.category_id 'entry_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'Protein Structure Initiative' ?
stop_
loop_
_item_examples.case
;
NIH Protein Structure Initiative
;
stop_
_item_type.code 'line'
save_
save__entry_src.organization_full_name
_item_description.description
;
Name of the organization (company, research laboratory, etc.) that carried
out the research reported in the entry.
;
_item.name '_entry_src.organization_full_name'
_item.category_id 'entry_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'Berkeley Structural Genomics Center' BSGC
'Center for Eukaryotic Structural Genomics' CESG
'Joint Center for Structural Genomics' JCSG
'Midwest Center for Structural Genomics' MCSG
'New York Structural Genomics Research Consortium' NYSGRC
'Northeast Structural Genomics Consortium' NESGC
'Southeast Collaboratory for Structural Genomics' SECSG
'Structural Genomics of Pathogenic Protozoa Consortium' SGPPC
'TB Structural Genomics Consortium' TBSGC
'Protein Structure Factory' PSF
'Yeast Structural Genomics' YSG
'North West Structural Genomics Centre' NWSGC
'Architecture and Function of Biological Macromolecules Structure Genomics' ASG
stop_
loop_
_item_examples.case
;
Wuthrich group; ETH
;
stop_
_item_type.code 'line'
save_
save__entry_src.organization_initials
_item_description.description
;
Laboratory title or name or acronym for the organization where the research
was conducted. More than one organization can be provided.
;
_item.name '_entry_src.organization_initials'
_item.category_id 'entry_src'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
BSGC ?
CESG ?
JCSG ?
MCSG ?
NYSGRC ?
NESGC ?
SECSG ?
SGPPC ?
TBSGC ?
PSF ?
YSG ?
NWSGC ?
ASG ?
stop_
loop_
_item_examples.case
;
NESGC
;
stop_
_item_type.code 'line'
save_
save__entry_src.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entry_src.entry_id'
_item.category_id 'entry_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_struct_keywords
_category.description
;
Items in the struct_keywords category define keywords that describe the structure of the biomolecular system reported.
;
_category.id 'struct_keywords'
_category.mandatory_code yes
loop_
_category_key.name
'_struct_keywords.keywords'
'_struct_keywords.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__struct_keywords.keywords
_item_description.description
;
Keywords describing the structure
;
_item.name '_struct_keywords.keywords'
_item.category_id 'struct_keywords'
_item.mandatory_code yes
loop_
_item_examples.case
;
PROTEIN/RNA
;
stop_
_item_type.code 'line'
save_
save__struct_keywords.text
_item_description.description
;
Keywords describing this structure.
;
_item.name '_struct_keywords.text'
_item.category_id 'struct_keywords'
_item.mandatory_code no
loop_
_item_examples.case
;
inhibited complex
;
stop_
_item_type.code 'text'
save_
save__struct_keywords.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_struct_keywords.entry_id'
_item.category_id 'struct_keywords'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_data_set
_category.description
;
Items in the data_set category define the kinds of data and the number of data sets for each kind of data in the entry.
;
_category.id 'data_set'
_category.mandatory_code yes
loop_
_category_key.name
'_data_set.type'
'_data_set.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__data_set.type
_item_description.description
;
The saveframe category type that contain quantitative data of the kind
that is summarized in this table. The enumerated list for this tag is a subset
of the full list of saveframe categories available in constructing an NMR-STAR file.
;
_item.name '_data_set.type'
_item.category_id 'data_set'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
assigned_chemical_shifts ?
coupling_constants ?
spectral_peak_list ?
other_data_list ?
RDCs ?
order_parameters ?
spectral_density_values ?
H_exch_rates ?
H_exch_protection_factors ?
pKa_value_data_set ?
pH_NMR_param_list ?
D_H_fractionation_factors ?
molecular_axis_determinations ?
deduced_secd_struct_features ?
deduced_hydrogen_bonds ?
representative_conformer ?
conformer_family_coord_set ?
heteronucl_T1_relaxation ?
heteronucl_T2_relaxation ?
heteronucl_NOEs ?
stop_
loop_
_item_examples.case
;
assigned_chemical_shifts
;
stop_
_item_type.code 'line'
save_
save__data_set.count
_item_description.description
;
The integer number of saveframes in the entry that are of the type given
by the value to the tag '_Saveframe_category_type' in this loop.
;
_item.name '_data_set.count'
_item.category_id 'data_set'
_item.mandatory_code yes
loop_
_item_examples.case
;
2
;
stop_
_item_type.code 'int'
save_
save__data_set.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_data_set.entry_id'
_item.category_id 'data_set'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_datum
_category.description
;
Items in the datum category define the types of datum in the entry and the quantity of each type.
;
_category.id 'datum'
_category.mandatory_code yes
loop_
_category_key.name
'_datum.type'
'_datum.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__datum.type
_item_description.description
;
A type of quantitative data found in the entry.
;
_item.name '_datum.type'
_item.category_id 'datum'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'1H chemical shifts' ?
'13C chemical shifts' ?
'15N chemical shifts' ?
'coupling constants' ?
'chemical shift isotope effects' ?
'molecule interaction chemical shift values' ?
'T1 relaxation values' ?
'T1rho relaxation values' ?
'T2 relaxation values' ?
'dipole-dipole relaxation values' ?
'cross correlation relaxation values' ?
'chemical shift anisotropy values' ?
'chemical shift anisotropy tensor values' ?
'quadrupolar couplings' ?
'theoretical chemical shifts' ?
'chemical shift tensors' ?
'residual dipolar couplings' ?
'dipolar coupling values' ?
'dipolar coupling tensor values' ?
'heteronuclear NOE values' ?
'homonuclear NOE values' ?
'order parameters' ?
'spectral density values' ?
'H exchange rates' ?
'H exchange protection factors' ?
'pKa values' ?
'pH NMR parameter values' ?
'D/H fractionation factors' ?
'bond orientation values' ?
'deduced secondary structure values' ?
'deduced hydrogen bonds' ?
'Distance constraints' ?
'ambiguous distance constraints' ?
'hydrogen bond distance constraints' ?
'torsion angle constraints' ?
'chemical shift constraints' ?
'symmetry constraints' ?
stop_
loop_
_item_examples.case
;
1H chemical shifts
;
stop_
_item_type.code 'line'
save_
save__datum.count
_item_description.description
;
An integer representing the total number of values of the type defined
by the value to the tag '_Data_type' found in all saveframes in the current entry.
;
_item.name '_datum.count'
_item.category_id 'datum'
_item.mandatory_code yes
loop_
_item_examples.case
;
981
;
stop_
_item_type.code 'int'
save_
save__datum.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_datum.entry_id'
_item.category_id 'datum'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_release
_category.description
;
Items in the release category provide the release history for an entry.
;
_category.id 'release'
_category.mandatory_code yes
loop_
_category_key.name
'_release.release_number'
'_release.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__release.release_number
_item_description.description
;
Unique code assigned to each release of an entry
;
_item.name '_release.release_number'
_item.category_id 'release'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__release.date
_item_description.description
;
Date entry was released.
;
_item.name '_release.date'
_item.category_id 'release'
_item.mandatory_code yes
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__release.submission_date
_item_description.description
;
Date the entry or an update to the entry was submitted to BMRB.
;
_item.name '_release.submission_date'
_item.category_id 'release'
_item.mandatory_code no
loop_
_item_examples.case
;
2004-02-29
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__release.type
_item_description.description
;
Value describing with a key word the type of entry that was released.
;
_item.name '_release.type'
_item.category_id 'release'
_item.mandatory_code yes
loop_
_item_examples.case
;
original
;
stop_
_item_type.code 'line'
save_
save__release.author
_item_description.description
;
A keyword indicating the type of author of the release.
;
_item.name '_release.author'
_item.category_id 'release'
_item.mandatory_code yes
loop_
_item_examples.case
;
author
;
stop_
_item_type.code 'line'
save_
save__release.detail
_item_description.description
;
Text describing the changes made to the entry.
;
_item.name '_release.detail'
_item.category_id 'release'
_item.mandatory_code no
loop_
_item_examples.case
;
Oringinal entry release
;
stop_
_item_type.code 'text'
save_
save__release.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_release.entry_id'
_item.category_id 'release'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_related_entries
_category.description
;
Items in the related_entries category provide a list of entries that are related to the present entry. The related entries may or may not be members of a study that includes the present entry.
;
_category.id 'related_entries'
_category.mandatory_code yes
loop_
_category_key.name
'_related_entries.database_name'
'_related_entries.database_accession_code'
'_related_entries.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__related_entries.database_name
_item_description.description
;
List of accession numbers for BMRB entries that are in someway related
to the current entry.
;
_item.name '_related_entries.database_name'
_item.category_id 'related_entries'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
BMRB ?
PDB ?
stop_
loop_
_item_examples.case
;
BMRB; PDB
;
stop_
_item_type.code 'line'
save_
save__related_entries.database_accession_code
_item_description.description
;
Enter the entry code for an already existing BMRB or PDB entry.
;
_item.name '_related_entries.database_accession_code'
_item.category_id 'related_entries'
_item.mandatory_code yes
loop_
_item_examples.case
;
4038; 1brv
;
stop_
_item_type.code 'line'
save_
save__related_entries.relationship
_item_description.description
;
Text describing the relationship between the current BMRB entry and the
entry with the corresponding BMRB accession number given as a value to the tag
'_Related_BMRB_accession_number.'
;
_item.name '_related_entries.relationship'
_item.category_id 'related_entries'
_item.mandatory_code no
loop_
_item_examples.case
;
Entry containing coupling constants for this molecular system.
;
stop_
_item_type.code 'line'
save_
save__related_entries.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_related_entries.entry_id'
_item.category_id 'related_entries'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save_citation
_category.description
;
Items in the citation category capture information common to all citations.
;
_category.id 'citation'
_category.mandatory_code yes
loop_
_category_key.name
'_citation.entry_id'
'_citation.id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__citation.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_citation.sf_category'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__citation.sf_framecode
_item_description.description
;
A label that uniquely identifies the citation from other citations in the entry.
;
_item.name '_citation.sf_framecode'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
citation 1
;
stop_
_item_default.value 'entry_citation'
_item_type.code 'line'
save_
save__citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation.entry_id'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
citation
;
stop_
_item_type.code 'code'
save_
save__citation.id
_item_description.description
;
A value that uniquely identifies the citation from all other citations
provided in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_citation.id' 'citation' yes
'_citation_author.citation_id' 'citation_author' yes
'_citation_keyword.citation_id' 'citation_keyword' yes
'_citation_editor.citation_id' 'citation_editor' yes
'_assembly_citation.citation_id' 'assembly_citation' yes
'_subsystem_citation.citation_id' 'subsystem_citation' yes
'_entity_citation.citation_id' 'entity_citation' yes
'_entity_natural_src.citation_id' 'entity_natural_src' yes
'_entity_experimental_src.citation_id' 'entity_experimental_src' yes
'_characteristic.citation_id' 'characteristic' yes
'_chem_comp_citation.citation_id' 'chem_comp_citation' yes
'_sample.crystal_grow_method_cit_id' 'sample' yes
'_sample.crystal_grow_seeding_cit_id' 'sample' yes
'_sample_citation.citation_id' 'sample_citation' yes
'_sample_condition_citation.citation_id' 'sample_condition_citation' yes
'_entity_purity_citation.citation_id' 'entity_purity_citation' yes
'_software_citation.citation_id' 'software_citation' yes
'_method_citation.citation_id' 'method_citation' yes
'_nmr_spectrometer_citation.citation_id' 'nmr_spectrometer_citation' yes
'_nmr_spectrometer_view.citation_id' 'nmr_spectrometer_view' yes
'_nmr_spectrometer_probe_citation.citation_id' 'nmr_spectrometer_probe_citation' yes
'_nmr_experiment_citation.citation_id' 'nmr_experiment_citation' yes
'_computer_citation.citation_id' 'computer_citation' yes
'_chem_shift_ref.indirect_shift_ratio_cit_id' 'chem_shift_ref' yes
'_chem_shift_ref.correction_val_cit_id' 'chem_shift_ref' yes
'_h_exch_protection_factor_list.std_values_source_cit_id' 'h_exch_protection_factor_list' yes
'_karplus_equation.citation_id' 'karplus_equation' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_citation_author.citation_id' '_citation.id'
'_citation_keyword.citation_id' '_citation.id'
'_citation_editor.citation_id' '_citation.id'
'_assembly_citation.citation_id' '_citation.id'
'_subsystem_citation.citation_id' '_citation.id'
'_entity_citation.citation_id' '_citation.id'
'_entity_natural_src.citation_id' '_citation.id'
'_entity_experimental_src.citation_id' '_citation.id'
'_characteristic.citation_id' '_citation.id'
'_chem_comp_citation.citation_id' '_citation.id'
'_sample.crystal_grow_method_cit_id' '_citation.id'
'_sample.crystal_grow_seeding_cit_id' '_citation.id'
'_sample_citation.citation_id' '_citation.id'
'_sample_condition_citation.citation_id' '_citation.id'
'_entity_purity_citation.citation_id' '_citation.id'
'_software_citation.citation_id' '_citation.id'
'_method_citation.citation_id' '_citation.id'
'_nmr_spectrometer_citation.citation_id' '_citation.id'
'_nmr_spectrometer_view.citation_id' '_citation.id'
'_nmr_spectrometer_probe_citation.citation_id' '_citation.id'
'_nmr_experiment_citation.citation_id' '_citation.id'
'_computer_citation.citation_id' '_citation.id'
'_chem_shift_ref.indirect_shift_ratio_cit_id' '_citation.id'
'_chem_shift_ref.correction_val_cit_id' '_citation.id'
'_h_exch_protection_factor_list.std_values_source_cit_id' '_citation.id'
'_karplus_equation.citation_id' '_citation.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__citation.class
_item_description.description
;
Keyword defining the citation as the key citation for the entry or a citation
used as a referenece in the entry.
;
_item.name '_citation.class'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'entry citation' ?
'reference citation' ?
stop_
loop_
_item_examples.case
;
entry citation
;
stop_
_item_default.value 'entry citation'
_item_type.code 'line'
save_
save__citation.cas_abstract_code
_item_description.description
;
Code from the Chemical Abstract Services assigned to this citation.
;
_item.name '_citation.cas_abstract_code'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__citation.medline_ui_code
_item_description.description
;
MEDLINE uniform identification code assigned to the publication described
in the saveframe.
;
_item.name '_citation.medline_ui_code'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__citation.pubmed_id
_item_description.description
;
The identification code assigned to the publication by PubMed. If this
code is available no other information regarding the publication needs to be entered
in the deposition.
;
_item.name '_citation.pubmed_id'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
12815265
;
stop_
_item_type.code 'code'
save_
save__citation.full_citation
_item_description.description
;
Full publication citation including authors title journal page numbers
year or equivalent information for the type of publication given.
;
_item.name '_citation.full_citation'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__citation.title
_item_description.description
;
Title for the publication.
;
_item.name '_citation.title'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
'1H and 15N Assigned Chemical Shifts for RNase A'
;
stop_
_item_type.code 'text'
save_
save__citation.status
_item_description.description
;
Status for the current publication (in preparation submitted in press published)
;
_item.name '_citation.status'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'in preparation' ?
submitted ?
'in press' ?
published ?
retracted ?
stop_
loop_
_item_examples.case
;
submitted
;
stop_
_item_default.value 'in preparation'
_item_type.code 'line'
save_
save__citation.type
_item_description.description
;
Descriptive word that defines the kind of publication reported (journal;
book; thesis; etc.)
;
_item.name '_citation.type'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
journal ?
book ?
thesis ?
abstract ?
'personal communication' ?
Internet ?
'BMRB only' ?
stop_
loop_
_item_examples.case
;
journal
;
stop_
_item_default.value 'journal'
_item_type.code 'line'
save_
save__citation.journal_abbrev
_item_description.description
;
Standard abbreviation for journals used by the Chemical Abstract Services.
Depositors are required to provide a value for this field. If the data in
the deposition are related to a JBNMR paper, the value must be 'J. Biol. NMR' to
alert the BMRB annotators so that the deposition is properly processed. If the
depositor truly does not know the journal a value of 'not known' is acceptable.
;
_item.name '_citation.journal_abbrev'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'Arch. Biochem. Biophys.' ?
Biochemistry ?
'Biochem. Biophys. Res. Commun.' ?
'Biochem. J.' ?
'Biochim. Biophys. Acta' ?
'Biophys. J.' ?
Biopolymers ?
Cell ?
'EMBO J.' ?
'Eur. J. Biochem.' ?
'FEBS Lett.' ?
'Inorg. Chem.' ?
'Int. J. Pept. Protein Res.' ?
'J. Am. Chem. Soc.' ?
'J. Biochem.' ?
'J. Biol. Chem.' ?
'J. Biol. Inorg. Chem.' ?
'J. Biomol. NMR' ?
'J. Biomol. Struct. Dyn.' ?
'J. Inorg. Biochem.' ?
'J. Magn. Reson.' ?
'J. Mol. Biol.' ?
'J. Pept. Res.' ?
'J. Protein Chem.' ?
'Mol. Cell' ?
Nature ?
'Nat. Struct. Biol.' ?
'Nucleic Acids Res.' ?
'Proc. Natl. Acad. Sci. U.S.A.' ?
'Protein Eng.' ?
Proteins ?
'Protein Sci.' ?
'Proteins: Struct. Funct. Genet.' ?
RNA ?
Science ?
Structure ?
'Structure (Cambridge MA U.S.)' ?
stop_
loop_
_item_examples.case
;
J. Biomol. NMR
;
stop_
_item_type.code 'line'
save_
save__citation.journal_name_full
_item_description.description
;
Full name used by the journal.
;
_item.name '_citation.journal_name_full'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
Journal of Biomolecular NMR
;
stop_
_item_type.code 'line'
save_
save__citation.journal_volume
_item_description.description
;
Volume designation used by the journal.
;
_item.name '_citation.journal_volume'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
23
;
stop_
_item_type.code 'line'
save_
save__citation.journal_issue
_item_description.description
;
Issue designation used by the journal.
;
_item.name '_citation.journal_issue'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
4
;
stop_
_item_type.code 'line'
save_
save__citation.journal_astm
_item_description.description
;
ASTM identification code for the journal
;
_item.name '_citation.journal_astm'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__citation.journal_issn
_item_description.description
;
ISSN identification code for the journal
;
_item.name '_citation.journal_issn'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__citation.journal_csd
_item_description.description
;
CSD identification code for the journal
;
_item.name '_citation.journal_csd'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__citation.book_title
_item_description.description
;
The name of the book where the citation is located.
;
_item.name '_citation.book_title'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
NMR Studies of Calcium Binding Proteins
;
stop_
_item_type.code 'text'
save_
save__citation.book_chapter_title
_item_description.description
;
Title of the chapter from the book
;
_item.name '_citation.book_chapter_title'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
Calmodulin
;
stop_
_item_type.code 'text'
save_
save__citation.book_volume
_item_description.description
;
Volume designation for the book.
;
_item.name '_citation.book_volume'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
2
;
stop_
_item_type.code 'line'
save_
save__citation.book_series
_item_description.description
;
Series designation for the book
;
_item.name '_citation.book_series'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
12
;
stop_
_item_type.code 'line'
save_
save__citation.book_publisher
_item_description.description
;
Publisher of the book
;
_item.name '_citation.book_publisher'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
Wiley & Sons
;
stop_
_item_type.code 'line'
save_
save__citation.book_publisher_city
_item_description.description
;
City where the book publisher is located
;
_item.name '_citation.book_publisher_city'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
New York
;
stop_
_item_type.code 'line'
save_
save__citation.book_isbn
_item_description.description
;
ISBN code assigned to the book.
;
_item.name '_citation.book_isbn'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__citation.conference_title
_item_description.description
;
Title of the conference
;
_item.name '_citation.conference_title'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
Frontiers in NMR VI
;
stop_
_item_type.code 'line'
save_
save__citation.conference_site
_item_description.description
;
Site of the conference$ city$ resort$ etc.
;
_item.name '_citation.conference_site'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
Keystone
;
stop_
_item_type.code 'line'
save_
save__citation.conference_state_province
_item_description.description
;
State$ province$ etc. where conference took place
;
_item.name '_citation.conference_state_province'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
Colorado
;
stop_
_item_type.code 'line'
save_
save__citation.conference_country
_item_description.description
;
Country where conference was located
;
_item.name '_citation.conference_country'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
USA
;
stop_
_item_type.code 'line'
save_
save__citation.conference_start_date
_item_description.description
;
Date conference began
;
_item.name '_citation.conference_start_date'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
1998-02-09
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__citation.conference_end_date
_item_description.description
;
Date conference ended
;
_item.name '_citation.conference_end_date'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
1998-02-15
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__citation.conference_abstract_number
_item_description.description
;
Code assigned to the conference abstract
;
_item.name '_citation.conference_abstract_number'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
125
;
stop_
_item_type.code 'line'
save_
save__citation.thesis_institution
_item_description.description
;
Academic or research institution that granted the degree awarded for the
thesis cited in the saveframe.
;
_item.name '_citation.thesis_institution'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
Purdue University
;
stop_
_item_type.code 'line'
save_
save__citation.thesis_institution_city
_item_description.description
;
City where the institution awarding the degree is located.
;
_item.name '_citation.thesis_institution_city'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
West Lafayette
;
stop_
_item_type.code 'line'
save_
save__citation.thesis_institution_country
_item_description.description
;
Country where the institution awarding the degree is located.
;
_item.name '_citation.thesis_institution_country'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
USA
;
stop_
_item_type.code 'line'
save_
save__citation.www_url
_item_description.description
;
A World Wide Web universal locator that identifies the location of the
cited material on the WWW.
;
_item.name '_citation.www_url'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__citation.page_first
_item_description.description
;
First page of the published article
;
_item.name '_citation.page_first'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
123
;
stop_
_item_type.code 'line'
save_
save__citation.page_last
_item_description.description
;
Last page of the published article
;
_item.name '_citation.page_last'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
145
;
stop_
_item_type.code 'line'
save_
save__citation.year
_item_description.description
;
Calendar year when the article was published.
;
_item.name '_citation.year'
_item.category_id 'citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
2003
;
stop_
_item_type.code 'code'
save_
save__citation.details
_item_description.description
;
Additional information relevant to the data in the current saveframe or
to a specific data item is entered as a value to this tag. The information entered
must supplement information already present. Whenever possible data should
associated with specific data tags and not included in the value to a '_Details' tag.
;
_item.name '_citation.details'
_item.category_id 'citation'
_item.mandatory_code no
loop_
_item_examples.case
;
The first and second authors contributed equally to this publication.
;
stop_
_item_type.code 'text'
save_
save_citation_author
_category.description
;
Items in the citation_author category define the authors and the order of the names for a citation.
;
_category.id 'citation_author'
_category.mandatory_code yes
loop_
_category_key.name
'_citation_author.ordinal'
'_citation_author.entry_id'
'_citation_author.citation_id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__citation_author.ordinal
_item_description.description
;
Integer value defining the position of the author's name in the list of authors.
;
_item.name '_citation_author.ordinal'
_item.category_id 'citation_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__citation_author.given_name
_item_description.description
;
The name given the author at birth or currently used by the author for
publication purposes. Can be an initial if the author uses a second name as a full
name when publishing.
;
_item.name '_citation_author.given_name'
_item.category_id 'citation_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
John
;
stop_
_item_type.code 'line'
save_
save__citation_author.family_name
_item_description.description
;
The family name of the author.
;
_item.name '_citation_author.family_name'
_item.category_id 'citation_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
Doe
;
stop_
_item_type.code 'line'
save_
save__citation_author.first_initial
_item_description.description
;
Initial of the author's first name.
;
_item.name '_citation_author.first_initial'
_item.category_id 'citation_author'
_item.mandatory_code no
loop_
_item_examples.case
;
J.
;
stop_
_item_type.code 'line'
save_
save__citation_author.middle_initials
_item_description.description
;
The initials for the author's middle names. A name can be used here, if
the author uses a middle name for publications.
;
_item.name '_citation_author.middle_initials'
_item.category_id 'citation_author'
_item.mandatory_code no
loop_
_item_examples.case
;
L.R.
;
stop_
_item_type.code 'line'
save_
save__citation_author.family_title
_item_description.description
;
A common family title (not a professional title).
;
_item.name '_citation_author.family_title'
_item.category_id 'citation_author'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
Sr. Senior
Jr. Junior
I First
II Second
III Third
IV Fourth
stop_
loop_
_item_examples.case
;
Jr.
;
stop_
_item_type.code 'line'
save_
save__citation_author.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation_author.entry_id'
_item.category_id 'citation_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__citation_author.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_citation_author.citation_id'
_item.category_id 'citation_author'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_citation_keyword
_category.description
;
Items in the citation_keyword category capture keywords that describe the contents of a citation.
;
_category.id 'citation_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_citation_keyword.keyword'
'_citation_keyword.entry_id'
'_citation_keyword.citation_id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__citation_keyword.keyword
_item_description.description
;
A single word or very brief phrase that characterizes the citation.
;
_item.name '_citation_keyword.keyword'
_item.category_id 'citation_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
NMR
;
stop_
_item_type.code 'line'
save_
save__citation_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation_keyword.entry_id'
_item.category_id 'citation_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__citation_keyword.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_citation_keyword.citation_id'
_item.category_id 'citation_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_citation_editor
_category.description
;
Items in the citation_editor category define the editors and the order of the names for a citaiton.
;
_category.id 'citation_editor'
_category.mandatory_code yes
loop_
_category_key.name
'_citation_editor.ordinal'
'_citation_editor.entry_id'
'_citation_editor.citation_id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__citation_editor.ordinal
_item_description.description
;
Integer value defining the position of the editor's name in the list of editors.
;
_item.name '_citation_editor.ordinal'
_item.category_id 'citation_editor'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__citation_editor.given_name
_item_description.description
;
The name given the editor at birth or currently used by the editor for
publication purposes. Can be an initial if the editor uses a second name as a full
name when publishing.
;
_item.name '_citation_editor.given_name'
_item.category_id 'citation_editor'
_item.mandatory_code yes
loop_
_item_examples.case
;
John
;
stop_
_item_type.code 'line'
save_
save__citation_editor.family_name
_item_description.description
;
The family name of the editor.
;
_item.name '_citation_editor.family_name'
_item.category_id 'citation_editor'
_item.mandatory_code yes
loop_
_item_examples.case
;
Doe
;
stop_
_item_type.code 'line'
save_
save__citation_editor.first_initial
_item_description.description
;
The editor's initial for their first name.
;
_item.name '_citation_editor.first_initial'
_item.category_id 'citation_editor'
_item.mandatory_code no
loop_
_item_examples.case
;
T.
;
stop_
_item_type.code 'line'
save_
save__citation_editor.middle_initials
_item_description.description
;
The initials for the editor's middle names. A name can be used here, if
the editor uses a middle name for publications.
;
_item.name '_citation_editor.middle_initials'
_item.category_id 'citation_editor'
_item.mandatory_code no
loop_
_item_examples.case
;
G.
;
stop_
_item_type.code 'line'
save_
save__citation_editor.family_title
_item_description.description
;
A common family title (not a professional title).
;
_item.name '_citation_editor.family_title'
_item.category_id 'citation_editor'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
Sr. Senior
Jr. Junior
I First
II Second
III Third
IV Fourth
stop_
loop_
_item_examples.case
;
II
;
stop_
_item_type.code 'line'
save_
save__citation_editor.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation_editor.entry_id'
_item.category_id 'citation_editor'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__citation_editor.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_citation_editor.citation_id'
_item.category_id 'citation_editor'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly
_category.description
;
Items in the assembly category describe the molecular assembly studied.
;
_category.id 'assembly'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly.entry_id'
'_assembly.id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_assembly.sf_category'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly.sf_framecode
_item_description.description
;
A descriptive label for the molecular assembly studied.
;
_item.name '_assembly.sf_framecode'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly.entry_id'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly.id
_item_description.description
;
A code that uniquely identifies the molecular assembly described in the
saveframe.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly.id' 'assembly' yes
'_assembly_type.assembly_id' 'assembly_type' yes
'_entity_assembly.assembly_id' 'entity_assembly' yes
'_struct_asym.assembly_id' 'struct_asym' yes
'_assembly_db_link.assembly_id' 'assembly_db_link' yes
'_assembly_common_name.assembly_id' 'assembly_common_name' yes
'_assembly_systematic_name.assembly_id' 'assembly_systematic_name' yes
'_assembly_interaction.assembly_id' 'assembly_interaction' yes
'_chem_comp_assembly.assembly_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.assembly_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.assembly_id' 'pdbx_nonpoly_scheme' yes
'_atom_type.assembly_id' 'atom_type' yes
'_atom.assembly_id' 'atom' yes
'_bond.assembly_id' 'bond' yes
'_deleted_atom.assembly_id' 'deleted_atom' yes
'_assembly_bio_function.assembly_id' 'assembly_bio_function' yes
'_angle.assembly_id' 'angle' yes
'_torsion_angle.assembly_id' 'torsion_angle' yes
'_assembly_segment.assembly_id' 'assembly_segment' yes
'_assembly_segment_description.assembly_id' 'assembly_segment_description' yes
'_assembly_keyword.assembly_id' 'assembly_keyword' yes
'_assembly_citation.assembly_id' 'assembly_citation' yes
'_author_annotation.assembly_id' 'author_annotation' yes
'_sample_component.assembly_id' 'sample_component' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_assembly_type.assembly_id' '_assembly.id'
'_entity_assembly.assembly_id' '_assembly.id'
'_struct_asym.assembly_id' '_assembly.id'
'_assembly_db_link.assembly_id' '_assembly.id'
'_assembly_common_name.assembly_id' '_assembly.id'
'_assembly_systematic_name.assembly_id' '_assembly.id'
'_assembly_interaction.assembly_id' '_assembly.id'
'_chem_comp_assembly.assembly_id' '_assembly.id'
'_pdbx_poly_seq_scheme.assembly_id' '_assembly.id'
'_pdbx_nonpoly_scheme.assembly_id' '_assembly.id'
'_atom_type.assembly_id' '_assembly.id'
'_atom.assembly_id' '_assembly.id'
'_bond.assembly_id' '_assembly.id'
'_deleted_atom.assembly_id' '_assembly.id'
'_assembly_bio_function.assembly_id' '_assembly.id'
'_angle.assembly_id' '_assembly.id'
'_torsion_angle.assembly_id' '_assembly.id'
'_assembly_segment.assembly_id' '_assembly.id'
'_assembly_segment_description.assembly_id' '_assembly.id'
'_assembly_keyword.assembly_id' '_assembly.id'
'_assembly_citation.assembly_id' '_assembly.id'
'_author_annotation.assembly_id' '_assembly.id'
'_sample_component.assembly_id' '_assembly.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly.name
_item_description.description
;
Brief descriptive name for the molecular assembly studied.
;
_item.name '_assembly.name'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
'p53 tetramer'
;
stop_
_item_type.code 'line'
save_
save__assembly.bmrb_code
_item_description.description
;
Unique identifier for the molecular system in the BMRB library of molecular
system definitions.
;
_item.name '_assembly.bmrb_code'
_item.category_id 'assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly.number_of_components
_item_description.description
;
An integer that represents the total number of molecular components that
comprise the molecular system.
;
_item.name '_assembly.number_of_components'
_item.category_id 'assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
4
;
stop_
_item_type.code 'int'
save_
save__assembly.organic_ligands
_item_description.description
;
Total number of organic ligands known to exist in the full molecular system.
;
_item.name '_assembly.organic_ligands'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'yes_no'
save_
save__assembly.metal_ions
_item_description.description
;
Total number of metal ions known to exist in the molecular system
;
_item.name '_assembly.metal_ions'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'yes_no'
save_
save__assembly.non_standard_bonds
_item_description.description
;
The molecular assembly contains covalent bonds such as cross-linking disulfide
bonds; non-standard residue-residue bonds; ligand-residue bonds; or metal
coordination bonds.
;
_item.name '_assembly.non_standard_bonds'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__assembly.ambiguous_conformational_states
_item_description.description
;
A yes/no flag automatically filled in by BMRB software on the basis of
the information (tag _Molecule_ambiguous conformational_states) provided in the
saveframes used to described the molecules in the system.
;
_item.name '_assembly.ambiguous_conformational_states'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__assembly.ambiguous_chem_comp_sites
_item_description.description
;
A yes/no flag automatically filled in by BMRB software on the basis of
information (tag _Mol_ambiguous_moiety_sites) provided in the saveframes used to
described the molecules in the system.
;
_item.name '_assembly.ambiguous_chem_comp_sites'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__assembly.molecules_in_chemical_exchange
_item_description.description
;
A yes/no flag that indicates when two molecular components in the system
are in chemical exchange (I.e. a ligand that exists in both the free and bound state).
;
_item.name '_assembly.molecules_in_chemical_exchange'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__assembly.paramagnetic
_item_description.description
;
A Yes or No flag used to describe whether the system is paramagnetic.
;
_item.name '_assembly.paramagnetic'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__assembly.thiol_state
_item_description.description
;
Description of the state of the thiol groups in the molecular system.
;
_item.name '_assembly.thiol_state'
_item.category_id 'assembly'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'all disulfide bound' ?
'all other bound' ?
'all free' ?
'free and bound' ?
'not present' ?
'not available' ?
unknown ?
'not reported' ?
'free and disulfide bound' ?
'free and other bound' ?
'free disulfide and other bound' ?
'disulfide and other bound' ?
stop_
loop_
_item_examples.case
;
all disulfide bound
;
stop_
_item_type.code 'line'
save_
save__assembly.molecular_mass
_item_description.description
;
Mass of the molecular system in Daltons. This value may be approximate.
;
_item.name '_assembly.molecular_mass'
_item.category_id 'assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
17600
;
stop_
_item_type.code 'float'
save_
save__assembly.enzyme_commission_number
_item_description.description
;
The Enzyme Commission decimal code (number) assigned to the protein or
molecular assembly, if available.
;
_item.name '_assembly.enzyme_commission_number'
_item.category_id 'assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
2.1.5.8.2
;
stop_
_item_type.code 'line'
save_
save__assembly.details
_item_description.description
;
Text description for the molecular system studied.
;
_item.name '_assembly.details'
_item.category_id 'assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__assembly.db_query_date
_item_description.description
;
Date the database was queried to derive links to the molecular assembly
studied. GenBank is the database queried for these links.
;
_item.name '_assembly.db_query_date'
_item.category_id 'assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__assembly.db_query_revised_last_date
_item_description.description
;
The last date when new links to the molecular assembly were found through
the database query.
;
_item.name '_assembly.db_query_revised_last_date'
_item.category_id 'assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save_assembly_type
_category.description
;
Items in the assembly_type category describe the kind of assembly studied. These are keywords that are specific to a description of the assembly in terms of the types and number of components that make up the assembly.
;
_category.id 'assembly_type'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_type.type'
'_assembly_type.entry_id'
'_assembly_type.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_type.type
_item_description.description
;
Enumerated list of brief descriptive phrases that provide a loose way of
classifying the system. A system may fit more than one item in the list and all
appropriate values may be used for any specific system.
;
_item.name '_assembly_type.type'
_item.category_id 'assembly_type'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'protein monomer' ?
'protein homo-multimer' ?
'protein hetero-multimer' ?
'RNA single strand' ?
'RNA double strand' ?
'DNA single strand' ?
'DNA double strand' ?
'DNA-RNA hybrid' ?
polysaccharide ?
'protein-nucleic acid complex' ?
'protein-inhibitor complex' ?
'protein-drug complex' ?
'protein-ligand complex' ?
'protein-protein complex' ?
'protein-DNA complex' ?
'protein-DNA-ligand complex' ?
'protein-DNA-inhibitor complex' ?
'protein-RNA complex' ?
'protein-RNA-ligand complex' ?
'protein-RNA-inhibitor complex' ?
'protein-carbohydrate complex' ?
'DNA-drug complex' ?
'DNA-RNA complex' ?
'RNA-drug complex' ?
stop_
loop_
_item_examples.case
;
protein monomer
;
stop_
_item_type.code 'line'
save_
save__assembly_type.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_type.entry_id'
_item.category_id 'assembly_type'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_type.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_type.assembly_id'
_item.category_id 'assembly_type'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_assembly
_category.description
;
Items in the entity_assembly category identify each molecule in the molecular assembly.
;
_category.id 'entity_assembly'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_assembly.id'
'_entity_assembly.entry_id'
'_entity_assembly.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_assembly.id
_item_description.description
;
Unique identifier for each component in the entity assembly.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_assembly.id' 'entity_assembly' yes
'_assembly_interaction.entity_assembly_id_1' 'assembly_interaction' yes
'_assembly_interaction.entity_assembly_id_2' 'assembly_interaction' yes
'_chem_comp_assembly.entity_assembly_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.entity_assembly_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.entity_assembly_id' 'pdbx_nonpoly_scheme' yes
'_atom.entity_assembly_id' 'atom' yes
'_bond.entity_assembly_id_1' 'bond' yes
'_bond.entity_assembly_id_2' 'bond' yes
'_deleted_atom.entity_assembly_id' 'deleted_atom' yes
'_angle.entity_assembly_id_1' 'angle' yes
'_angle.entity_assembly_id_2' 'angle' yes
'_angle.entity_assembly_id_3' 'angle' yes
'_torsion_angle.entity_assembly_id_1' 'torsion_angle' yes
'_torsion_angle.entity_assembly_id_2' 'torsion_angle' yes
'_torsion_angle.entity_assembly_id_3' 'torsion_angle' yes
'_torsion_angle.entity_assembly_id_4' 'torsion_angle' yes
'_assembly_segment.entity_assembly_id' 'assembly_segment' yes
'_author_annotation.entity_assembly_id' 'author_annotation' yes
'_subsystem_component.entity_assembly_id' 'subsystem_component' yes
'_atom_chem_shift.entity_assembly_id' 'atom_chem_shift' yes
'_coupling_constant.entity_assembly_id_1' 'coupling_constant' yes
'_coupling_constant.entity_assembly_id_2' 'coupling_constant' yes
'_assigned_peak_chem_shift.entity_assembly_id' 'assigned_peak_chem_shift' yes
'_resonance_assignment.entity_assembly_id' 'resonance_assignment' yes
'_spin_system.entity_assembly_id' 'spin_system' yes
'_isotope_effect.entity_assembly_id' 'isotope_effect' yes
'_isotope_label_pattern.entity_assembly_id' 'isotope_label_pattern' yes
'_mol_interaction_chem_shift.entity_assembly_id' 'mol_interaction_chem_shift' yes
'_cs_anisotropy.entity_assembly_id' 'cs_anisotropy' yes
'_chem_shielding_tensor.entity_assembly_id' 'chem_shielding_tensor' yes
'_theoretical_chem_shift.entity_assembly_id' 'theoretical_chem_shift' yes
'_rdc.entity_assembly_id_1' 'rdc' yes
'_rdc.entity_assembly_id_2' 'rdc' yes
'_dipolar_coupling.entity_assembly_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.entity_assembly_id_2' 'dipolar_coupling' yes
'_spectral_density.entity_assembly_id' 'spectral_density' yes
'_other_data.entity_assembly_id' 'other_data' yes
'_h_exch_rate.entity_assembly_id' 'h_exch_rate' yes
'_h_exch_protection_factor.entity_assembly_id' 'h_exch_protection_factor' yes
'_homonucl_noe.entity_assembly_id_1' 'homonucl_noe' yes
'_homonucl_noe.entity_assembly_id_2' 'homonucl_noe' yes
'_heteronucl_noe.entity_assembly_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.entity_assembly_id_2' 'heteronucl_noe' yes
'_t1.entity_assembly_id' 't1' yes
'_t1rho.entity_assembly_id' 't1rho' yes
'_t2.entity_assembly_id' 't2' yes
'_dipole_dipole_relax.entity_assembly_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.entity_assembly_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_entity_assembly_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_entity_assembly_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_assembly_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_assembly_id_2' 'cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_entity_assembly_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_entity_assembly_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_assembly_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_assembly_id_2' 'cross_correlation_d_csa' yes
'_order_param.entity_assembly_id' 'order_param' yes
'_ph_titr_result.atom_observed_entity_assembly_id' 'ph_titr_result' yes
'_ph_titr_result.atom_titrated_entity_assembly_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.entity_assembly_id' 'd_h_fractionation_factor' yes
'_deduced_secd_struct_exptl.entity_assembly_id' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.entity_assembly_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_entity_assembly_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_entity_assembly_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.hydrogen_atom_entity_assembly_id' 'deduced_h_bond' yes
'_atom_site.label_entity_assembly_id' 'atom_site' yes
'_rep_conf.entity_assembly_id' 'rep_conf' yes
'_angular_order_param.entity_assembly_id' 'angular_order_param' yes
'_tertiary_struct.entity_assembly_id' 'tertiary_struct' yes
'_secondary_struct.entity_assembly_id' 'secondary_struct' yes
'_bond_annotation.entity_assembly_id_1' 'bond_annotation' yes
'_bond_annotation.entity_assembly_id_2' 'bond_annotation' yes
'_structure_interaction.entity_assembly_id_1' 'structure_interaction' yes
'_structure_interaction.entity_assembly_id_2' 'structure_interaction' yes
'_other_struct_feature.entity_assembly_id' 'other_struct_feature' yes
'_dist_constraint.entity_assembly_id' 'dist_constraint' yes
'_floating_chirality.entity_assembly_id_1' 'floating_chirality' yes
'_floating_chirality.entity_assembly_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.entity_assembly_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_assembly_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_assembly_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_assembly_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.entity_assembly_id_1' 'rdc_constraint' yes
'_rdc_constraint.entity_assembly_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.entity_assembly_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.entity_assembly_id' 'h_chem_shift_constraint' yes
'_other_constraint_list.entity_assembly_id' 'other_constraint_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_assembly_interaction.entity_assembly_id_1' '_entity_assembly.id'
'_assembly_interaction.entity_assembly_id_2' '_entity_assembly.id'
'_chem_comp_assembly.entity_assembly_id' '_entity_assembly.id'
'_pdbx_poly_seq_scheme.entity_assembly_id' '_entity_assembly.id'
'_pdbx_nonpoly_scheme.entity_assembly_id' '_entity_assembly.id'
'_atom.entity_assembly_id' '_entity_assembly.id'
'_bond.entity_assembly_id_1' '_entity_assembly.id'
'_bond.entity_assembly_id_2' '_entity_assembly.id'
'_deleted_atom.entity_assembly_id' '_entity_assembly.id'
'_angle.entity_assembly_id_1' '_entity_assembly.id'
'_angle.entity_assembly_id_2' '_entity_assembly.id'
'_angle.entity_assembly_id_3' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_1' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_2' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_3' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_4' '_entity_assembly.id'
'_assembly_segment.entity_assembly_id' '_entity_assembly.id'
'_author_annotation.entity_assembly_id' '_entity_assembly.id'
'_subsystem_component.entity_assembly_id' '_entity_assembly.id'
'_atom_chem_shift.entity_assembly_id' '_entity_assembly.id'
'_coupling_constant.entity_assembly_id_1' '_entity_assembly.id'
'_coupling_constant.entity_assembly_id_2' '_entity_assembly.id'
'_assigned_peak_chem_shift.entity_assembly_id' '_entity_assembly.id'
'_resonance_assignment.entity_assembly_id' '_entity_assembly.id'
'_spin_system.entity_assembly_id' '_entity_assembly.id'
'_isotope_effect.entity_assembly_id' '_entity_assembly.id'
'_isotope_label_pattern.entity_assembly_id' '_entity_assembly.id'
'_mol_interaction_chem_shift.entity_assembly_id' '_entity_assembly.id'
'_cs_anisotropy.entity_assembly_id' '_entity_assembly.id'
'_chem_shielding_tensor.entity_assembly_id' '_entity_assembly.id'
'_theoretical_chem_shift.entity_assembly_id' '_entity_assembly.id'
'_rdc.entity_assembly_id_1' '_entity_assembly.id'
'_rdc.entity_assembly_id_2' '_entity_assembly.id'
'_dipolar_coupling.entity_assembly_id_1' '_entity_assembly.id'
'_dipolar_coupling.entity_assembly_id_2' '_entity_assembly.id'
'_spectral_density.entity_assembly_id' '_entity_assembly.id'
'_other_data.entity_assembly_id' '_entity_assembly.id'
'_h_exch_rate.entity_assembly_id' '_entity_assembly.id'
'_h_exch_protection_factor.entity_assembly_id' '_entity_assembly.id'
'_homonucl_noe.entity_assembly_id_1' '_entity_assembly.id'
'_homonucl_noe.entity_assembly_id_2' '_entity_assembly.id'
'_heteronucl_noe.entity_assembly_id_1' '_entity_assembly.id'
'_heteronucl_noe.entity_assembly_id_2' '_entity_assembly.id'
'_t1.entity_assembly_id' '_entity_assembly.id'
'_t1rho.entity_assembly_id' '_entity_assembly.id'
'_t2.entity_assembly_id' '_entity_assembly.id'
'_dipole_dipole_relax.entity_assembly_id_1' '_entity_assembly.id'
'_dipole_dipole_relax.entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_dd.dipole_1_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_dd.dipole_1_entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_dd.dipole_2_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_dd.dipole_2_entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_d_csa.dipole_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_d_csa.dipole_entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_d_csa.csa_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_d_csa.csa_entity_assembly_id_2' '_entity_assembly.id'
'_order_param.entity_assembly_id' '_entity_assembly.id'
'_ph_titr_result.atom_observed_entity_assembly_id' '_entity_assembly.id'
'_ph_titr_result.atom_titrated_entity_assembly_id' '_entity_assembly.id'
'_d_h_fractionation_factor.entity_assembly_id' '_entity_assembly.id'
'_deduced_secd_struct_exptl.entity_assembly_id' '_entity_assembly.id'
'_deduced_secd_struct_feature.entity_assembly_id' '_entity_assembly.id'
'_deduced_h_bond.heavy_atom_entity_assembly_id_1' '_entity_assembly.id'
'_deduced_h_bond.heavy_atom_entity_assembly_id_2' '_entity_assembly.id'
'_deduced_h_bond.hydrogen_atom_entity_assembly_id' '_entity_assembly.id'
'_atom_site.label_entity_assembly_id' '_entity_assembly.id'
'_rep_conf.entity_assembly_id' '_entity_assembly.id'
'_angular_order_param.entity_assembly_id' '_entity_assembly.id'
'_tertiary_struct.entity_assembly_id' '_entity_assembly.id'
'_secondary_struct.entity_assembly_id' '_entity_assembly.id'
'_bond_annotation.entity_assembly_id_1' '_entity_assembly.id'
'_bond_annotation.entity_assembly_id_2' '_entity_assembly.id'
'_structure_interaction.entity_assembly_id_1' '_entity_assembly.id'
'_structure_interaction.entity_assembly_id_2' '_entity_assembly.id'
'_other_struct_feature.entity_assembly_id' '_entity_assembly.id'
'_dist_constraint.entity_assembly_id' '_entity_assembly.id'
'_floating_chirality.entity_assembly_id_1' '_entity_assembly.id'
'_floating_chirality.entity_assembly_id_2' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_3' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_4' '_entity_assembly.id'
'_rdc_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_rdc_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_3' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_4' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_3' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_4' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_5' '_entity_assembly.id'
'_h_chem_shift_constraint.entity_assembly_id' '_entity_assembly.id'
'_other_constraint_list.entity_assembly_id' '_entity_assembly.id'
stop_
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__entity_assembly.entity_assembly_name
_item_description.description
;
Name for this molecular component of the molecular assembly
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_assembly.entity_assembly_name' 'entity_assembly' no
'_bond.entity_assembly_name_1' 'bond' no
'_bond.entity_assembly_name_2' 'bond' no
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.entity_assembly_name_1' '_entity_assembly.entity_assembly_name'
'_bond.entity_assembly_name_2' '_entity_assembly.entity_assembly_name'
stop_
loop_
_item_examples.case
;
subunit 1
;
stop_
_item_type.code 'line'
save_
save__entity_assembly.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_assembly.entity_id'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_assembly.entity_label
_item_description.description
;
This value points to the section of the entry where the chemical description
is given for all assembly components of this type. For a homodimer a chemical
description of the monomer is given only once and is pointed to by this value
although the assembly contains two monomers.
;
_item.name '_entity_assembly.entity_label'
_item.category_id 'entity_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
HIV protease polypeptide
;
stop_
_item_type.code 'label'
save_
save__entity_assembly.asym_id
_item_description.description
;
Pointer to '_Struct_asym.ID'
;
_item.name '_entity_assembly.asym_id'
_item.category_id 'entity_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
A
;
stop_
_item_default.value 'A'
_item_type.code 'code'
save_
save__entity_assembly.experimental_data_reported
_item_description.description
;
A flag indicating whether experimental data for a specific component of
the assembly is reported.
;
_item.name '_entity_assembly.experimental_data_reported'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__entity_assembly.physical_state
_item_description.description
;
An enumerated list of descriptive terms used to define the conformational
state of the component of the assembly.
;
_item.name '_entity_assembly.physical_state'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
native ?
denatured ?
'molten globule' ?
unfolded ?
stop_
loop_
_item_examples.case
;
native
;
stop_
_item_default.value 'native'
_item_type.code 'line'
save_
save__entity_assembly.conformational_isomer
_item_description.description
;
A flag indicating whether the component of the system is a conformational
isomer of another component of the system.
;
_item.name '_entity_assembly.conformational_isomer'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity_assembly.chemical_exchange_state
_item_description.description
;
A flag indicating whether the component of the system is in chemical exchange
with another component of the system.
;
_item.name '_entity_assembly.chemical_exchange_state'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
no
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity_assembly.magnetic_equivalence_group_code
_item_description.description
;
Unique identifier for the group of assembly components within the assembly
that are magnetically equivalent in that only one set of NMR peaks are observed
for the group.
;
_item.name '_entity_assembly.magnetic_equivalence_group_code'
_item.category_id 'entity_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'code'
save_
save__entity_assembly.role
_item_description.description
;
The function of the asembly component within the assembly.
;
_item.name '_entity_assembly.role'
_item.category_id 'entity_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
catalytic unit
;
stop_
_item_type.code 'line'
save_
save__entity_assembly.details
_item_description.description
;
Text information describing the component of the assembly that is pertinent
to the component as found in the assembly. Specific details about the entity
are given in the entity category.
;
_item.name '_entity_assembly.details'
_item.category_id 'entity_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
The bound ATP is in slow exchange with the free form
;
stop_
_item_type.code 'text'
save_
save__entity_assembly.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_assembly.entry_id'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_assembly.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_entity_assembly.assembly_id'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_struct_asym
_category.description
;
category description not available
;
_category.id 'struct_asym'
_category.mandatory_code yes
loop_
_category_key.name
'_struct_asym.id'
'_struct_asym.entry_id'
'_struct_asym.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__struct_asym.id
_item_description.description
;
The value of '_Struct_asym.ID' must uniquely identify a record in the STRUCT_ASYM
list. Note that this item need not be a number; it can be any unique
identifier.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_struct_asym.id' 'struct_asym' yes
'_entity_assembly.asym_id' 'entity_assembly' yes
'_atom_site.label_asym_id' 'atom_site' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_assembly.asym_id' '_struct_asym.id'
'_atom_site.label_asym_id' '_struct_asym.id'
stop_
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'code'
save_
save__struct_asym.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_struct_asym.entity_id'
_item.category_id 'struct_asym'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__struct_asym.pdbx_blank_pdb_chainid_flag
_item_description.description
;
A flag indicating that this entity was originally labeled with a blank
PDB chain id.
;
_item.name '_struct_asym.pdbx_blank_pdb_chainid_flag'
_item.category_id 'struct_asym'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
_item_type.code 'line'
save_
save__struct_asym.pdbx_modified
_item_description.description
;
This data item indicates whether the structural elements are modified.
;
_item.name '_struct_asym.pdbx_modified'
_item.category_id 'struct_asym'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'line'
save_
save__struct_asym.details
_item_description.description
;
A description of special aspects of this portion of the contents of the
asymmetric unit.
;
_item.name '_struct_asym.details'
_item.category_id 'struct_asym'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__struct_asym.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_struct_asym.entry_id'
_item.category_id 'struct_asym'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'code'
save_
save__struct_asym.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_struct_asym.assembly_id'
_item.category_id 'struct_asym'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save_assembly_db_link
_category.description
;
Items in the assembly_db_link category capture information about databases and accession codes of entries related to the molecular assembly.
;
_category.id 'assembly_db_link'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_db_link.database_code'
'_assembly_db_link.accession_code'
'_assembly_db_link.entry_id'
'_assembly_db_link.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_db_link.author_supplied
_item_description.description
;
Flag indicating if the database accession number was supplied by the author .
;
_item.name '_assembly_db_link.author_supplied'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
yes
;
stop_
_item_default.value 'Y'
_item_type.code 'yes_no'
save_
save__assembly_db_link.database_code
_item_description.description
;
Abbreviation for the database
;
_item.name '_assembly_db_link.database_code'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
PDB 'Protein Data Bank'
BMRB 'BioMagResBank'
DBJ ?
EMBL ?
GenBank ?
PIR ?
PRF ?
REF ?
SWISS-PROT ?
stop_
loop_
_item_examples.case
;
PDB
;
stop_
_item_default.value 'PDB'
_item_type.code 'line'
save_
save__assembly_db_link.accession_code
_item_description.description
;
Accession code for the entry in the database.
;
_item.name '_assembly_db_link.accession_code'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
1brv
;
stop_
_item_type.code 'line'
save_
save__assembly_db_link.entry_mol_code
_item_description.description
;
Code given to the molecule by the database where the entry is located.
;
_item.name '_assembly_db_link.entry_mol_code'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_db_link.entry_mol_name
_item_description.description
;
Name of the molecular assembly in the database entry.
;
_item.name '_assembly_db_link.entry_mol_name'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_db_link.entry_experimental_method
_item_description.description
;
Experimental method used to generate the data in the database entry.
;
_item.name '_assembly_db_link.entry_experimental_method'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
? ?
stop_
loop_
_item_examples.case
;
X-ray
;
stop_
_item_type.code 'line'
save_
save__assembly_db_link.entry_structure_resolution
_item_description.description
;
The resolution of the data in a structure entry.
;
_item.name '_assembly_db_link.entry_structure_resolution'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
1.3A
;
stop_
_item_type.code 'float'
save_
save__assembly_db_link.entry_relation_type
_item_description.description
;
Relationship between the database entry and this BMRB entry.
;
_item.name '_assembly_db_link.entry_relation_type'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
Structure for the free repressor that is bound to DNA in this study.
;
stop_
_item_type.code 'line'
save_
save__assembly_db_link.entry_details
_item_description.description
;
Any text information relevant to the database entry.
;
_item.name '_assembly_db_link.entry_details'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__assembly_db_link.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_db_link.entry_id'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_db_link.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_db_link.assembly_id'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_common_name
_category.description
;
Items in the assembly_common_name category define common names associated with the molecular assembly.
;
_category.id 'assembly_common_name'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_common_name.name'
'_assembly_common_name.entry_id'
'_assembly_common_name.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_common_name.name
_item_description.description
;
Synonyms commonly used to name the molecular assembly.
;
_item.name '_assembly_common_name.name'
_item.category_id 'assembly_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
p53
;
stop_
_item_type.code 'line'
save_
save__assembly_common_name.type
_item_description.description
;
Common names may have different types (full names$ abbreviations$ etc.)
;
_item.name '_assembly_common_name.type'
_item.category_id 'assembly_common_name'
_item.mandatory_code no
loop_
_item_examples.case
;
abbreviation
;
stop_
_item_type.code 'line'
save_
save__assembly_common_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_common_name.entry_id'
_item.category_id 'assembly_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_common_name.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_common_name.assembly_id'
_item.category_id 'assembly_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_systematic_name
_category.description
;
Items in the assembly_systematic_name category capture systematic naming systems and the systematic name for the molecular assembly.
;
_category.id 'assembly_systematic_name'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_systematic_name.naming_system'
'_assembly_systematic_name.entry_id'
'_assembly_systematic_name.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_systematic_name.name
_item_description.description
;
Name for the molecular assembly that has been assigned by an organization
or derived using rules defined by an organization recognized by the scientific
community.
;
_item.name '_assembly_systematic_name.name'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_systematic_name.naming_system
_item_description.description
;
A recognized or common systematic method used to name molecules and molecular
systems.
;
_item.name '_assembly_systematic_name.naming_system'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
IUPAC ?
'CAS name' ?
'CAS registry number' ?
BMRB ?
stop_
loop_
_item_examples.case
;
CAS
;
stop_
_item_type.code 'line'
save_
save__assembly_systematic_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_systematic_name.entry_id'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_systematic_name.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_systematic_name.assembly_id'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_interaction
_category.description
;
Items in the assembly_interaction category capture information about the types of interactions between components of the molecular assembly.
;
_category.id 'assembly_interaction'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_interaction.id'
'_assembly_interaction.entry_id'
'_assembly_interaction.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_interaction.id
_item_description.description
;
Unique identifier for the interaction between two components of the assembly.
;
_item.name '_assembly_interaction.id'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__assembly_interaction.entity_assembly_id_1
_item_description.description
;
Identifier for the first component of the assembly that is involved interaction.
Pointer to '_Entity_assembly.ID'
;
_item.name '_assembly_interaction.entity_assembly_id_1'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__assembly_interaction.entity_assembly_id_2
_item_description.description
;
Identifier for the second component of the assembly involved in the interaction.
Pointer to '_Entity_assembly.ID'
;
_item.name '_assembly_interaction.entity_assembly_id_2'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
loop_
_item_examples.case
;
2
;
stop_
_item_type.code 'int'
save_
save__assembly_interaction.mol_interaction_type
_item_description.description
;
covalent- noncovalent/coordination- confromational/configurational exchange-
chemical exchange
;
_item.name '_assembly_interaction.mol_interaction_type'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'Extremely slow exchange' ?
'Slow exchange' ?
'Intermediate exchange' ?
'Fast exchange' ?
'No interaction' ?
stop_
loop_
_item_examples.case
;
protein-protein
;
stop_
_item_type.code 'line'
save_
save__assembly_interaction.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_interaction.entry_id'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_interaction.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_interaction.assembly_id'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save_chem_comp_assembly
_category.description
;
Items in the chem_comp_assembly category provide chemical component level nomenclature and mappings across both biopolymer and non-polymer components of the molecular assembly.
;
_category.id 'chem_comp_assembly'
_category.mandatory_code yes
loop_
_category_key.name
'_chem_comp_assembly.entity_assembly_id'
'_chem_comp_assembly.comp_index_id'
'_chem_comp_assembly.entry_id'
'_chem_comp_assembly.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__chem_comp_assembly.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_chem_comp_assembly.entity_assembly_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__chem_comp_assembly.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_chem_comp_assembly.entity_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__chem_comp_assembly.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_chem_comp_assembly.comp_index_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__chem_comp_assembly.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_assembly.comp_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__chem_comp_assembly.application_seq_num
_item_description.description
;
A sequence number from a sequence numbering scheme employed because of
a requirement of a software applications.
;
_item.name '_chem_comp_assembly.application_seq_num'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__chem_comp_assembly.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_chem_comp_assembly.seq_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__chem_comp_assembly.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_assembly.entry_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__chem_comp_assembly.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_chem_comp_assembly.assembly_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_pdbx_poly_seq_scheme
_category.description
;
Items in the PDBX_poly_seq_scheme category provide residue level nomenclature mapping for polymer entities.
;
_category.id 'pdbx_poly_seq_scheme'
_category.mandatory_code yes
loop_
_category_key.name
'_pdbx_poly_seq_scheme.entity_assembly_id'
'_pdbx_poly_seq_scheme.comp_index_id'
'_pdbx_poly_seq_scheme.entry_id'
'_pdbx_poly_seq_scheme.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__pdbx_poly_seq_scheme.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_pdbx_poly_seq_scheme.entity_assembly_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.asym_id
_item_description.description
;
Pointer to '_Atom_site.Label_asym_ID'
;
_item.name '_pdbx_poly_seq_scheme.asym_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
1;A:2B3
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_pdbx_poly_seq_scheme.entity_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_pdbx_poly_seq_scheme.comp_index_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_pdbx_poly_seq_scheme.comp_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_pdbx_poly_seq_scheme.comp_label'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__pdbx_poly_seq_scheme.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_pdbx_poly_seq_scheme.seq_id' 'pdbx_poly_seq_scheme' yes
'_chem_comp_assembly.seq_id' 'chem_comp_assembly' yes
'_atom.seq_id' 'atom' yes
'_atom.pdb_seq_id' 'atom' yes
'_bond.seq_id_1' 'bond' yes
'_bond.seq_id_2' 'bond' yes
'_deleted_atom.seq_id' 'deleted_atom' yes
'_angle.seq_id_1' 'angle' yes
'_angle.seq_id_2' 'angle' yes
'_angle.seq_id_3' 'angle' yes
'_torsion_angle.seq_id_1' 'torsion_angle' yes
'_torsion_angle.seq_id_2' 'torsion_angle' yes
'_torsion_angle.seq_id_3' 'torsion_angle' yes
'_torsion_angle.seq_id_4' 'torsion_angle' yes
'_assembly_segment.seq_id' 'assembly_segment' yes
'_author_annotation.seq_id' 'author_annotation' yes
'_author_annotation.seq_id_start' 'author_annotation' yes
'_author_annotation.seq_id_end' 'author_annotation' yes
'_entity_chimera_segment.seq_id_begin' 'entity_chimera_segment' yes
'_entity_chimera_segment.seq_id_end' 'entity_chimera_segment' yes
'_sample_component_atom_isotope.seq_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.seq_id' 'atom_chem_shift' yes
'_coupling_constant.seq_id_1' 'coupling_constant' yes
'_coupling_constant.seq_id_2' 'coupling_constant' yes
'_isotope_effect.seq_id' 'isotope_effect' yes
'_isotope_label_pattern.seq_id' 'isotope_label_pattern' yes
'_mol_interaction_chem_shift.seq_id' 'mol_interaction_chem_shift' yes
'_cs_anisotropy.seq_id' 'cs_anisotropy' yes
'_chem_shielding_tensor.seq_id' 'chem_shielding_tensor' yes
'_theoretical_chem_shift.seq_id' 'theoretical_chem_shift' yes
'_rdc.seq_id_1' 'rdc' yes
'_rdc.seq_id_2' 'rdc' yes
'_dipolar_coupling.seq_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.seq_id_2' 'dipolar_coupling' yes
'_spectral_density.seq_id' 'spectral_density' yes
'_other_data.seq_id' 'other_data' yes
'_h_exch_rate.seq_id' 'h_exch_rate' yes
'_h_exch_protection_factor.seq_id' 'h_exch_protection_factor' yes
'_homonucl_noe.seq_id_1' 'homonucl_noe' yes
'_homonucl_noe.seq_id_2' 'homonucl_noe' yes
'_heteronucl_noe.seq_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.seq_id_2' 'heteronucl_noe' yes
'_t1.seq_id' 't1' yes
'_t1rho.seq_id' 't1rho' yes
'_t2.seq_id' 't2' yes
'_dipole_dipole_relax.seq_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.seq_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_seq_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_seq_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_seq_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_seq_id_2' 'cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_seq_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_seq_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_seq_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_seq_id_2' 'cross_correlation_d_csa' yes
'_order_param.seq_id' 'order_param' yes
'_ph_titr_result.atom_observed_seq_id' 'ph_titr_result' yes
'_ph_titr_result.atom_titrated_seq_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.seq_id' 'd_h_fractionation_factor' yes
'_deduced_secd_struct_exptl.seq_id_start' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_exptl.seq_id_end' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.seq_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_seq_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_seq_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.hydrogen_atom_seq_id' 'deduced_h_bond' yes
'_terminal_residue.seq_id' 'terminal_residue' yes
'_rep_conf.seq_id' 'rep_conf' yes
'_angular_order_param.seq_id' 'angular_order_param' yes
'_tertiary_struct.seq_id' 'tertiary_struct' yes
'_secondary_struct.seq_id_start' 'secondary_struct' yes
'_secondary_struct.seq_id_end' 'secondary_struct' yes
'_bond_annotation.seq_id_1' 'bond_annotation' yes
'_bond_annotation.seq_id_2' 'bond_annotation' yes
'_structure_interaction.seq_id_1' 'structure_interaction' yes
'_structure_interaction.seq_id_2' 'structure_interaction' yes
'_other_struct_feature.seq_id' 'other_struct_feature' yes
'_dist_constraint.seq_id' 'dist_constraint' yes
'_floating_chirality.seq_id_1' 'floating_chirality' yes
'_floating_chirality.seq_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.seq_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.seq_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.seq_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.seq_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.seq_id_1' 'rdc_constraint' yes
'_rdc_constraint.seq_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.seq_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.seq_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.seq_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.seq_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.seq_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.seq_id' 'h_chem_shift_constraint' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_chem_comp_assembly.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_atom.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_atom.pdb_seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_bond.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_bond.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_deleted_atom.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_angle.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_angle.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_angle.seq_id_3' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle.seq_id_3' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle.seq_id_4' '_pdbx_poly_seq_scheme.seq_id'
'_assembly_segment.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_author_annotation.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_author_annotation.seq_id_start' '_pdbx_poly_seq_scheme.seq_id'
'_author_annotation.seq_id_end' '_pdbx_poly_seq_scheme.seq_id'
'_entity_chimera_segment.seq_id_begin' '_pdbx_poly_seq_scheme.seq_id'
'_entity_chimera_segment.seq_id_end' '_pdbx_poly_seq_scheme.seq_id'
'_sample_component_atom_isotope.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_atom_chem_shift.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_coupling_constant.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_coupling_constant.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_isotope_effect.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_isotope_label_pattern.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_mol_interaction_chem_shift.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_cs_anisotropy.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_chem_shielding_tensor.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_theoretical_chem_shift.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_rdc.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_rdc.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_dipolar_coupling.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_dipolar_coupling.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_spectral_density.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_other_data.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_h_exch_rate.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_h_exch_protection_factor.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_homonucl_noe.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_homonucl_noe.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_heteronucl_noe.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_heteronucl_noe.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_t1.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_t1rho.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_t2.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_dipole_dipole_relax.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_dipole_dipole_relax.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_dd.dipole_1_seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_dd.dipole_1_seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_dd.dipole_2_seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_dd.dipole_2_seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_d_csa.dipole_seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_d_csa.dipole_seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_d_csa.csa_seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_cross_correlation_d_csa.csa_seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_order_param.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_ph_titr_result.atom_observed_seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_ph_titr_result.atom_titrated_seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_d_h_fractionation_factor.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_deduced_secd_struct_exptl.seq_id_start' '_pdbx_poly_seq_scheme.seq_id'
'_deduced_secd_struct_exptl.seq_id_end' '_pdbx_poly_seq_scheme.seq_id'
'_deduced_secd_struct_feature.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_deduced_h_bond.heavy_atom_seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_deduced_h_bond.heavy_atom_seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_deduced_h_bond.hydrogen_atom_seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_terminal_residue.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_rep_conf.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_angular_order_param.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_tertiary_struct.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_secondary_struct.seq_id_start' '_pdbx_poly_seq_scheme.seq_id'
'_secondary_struct.seq_id_end' '_pdbx_poly_seq_scheme.seq_id'
'_bond_annotation.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_bond_annotation.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_structure_interaction.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_structure_interaction.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_other_struct_feature.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_dist_constraint.seq_id' '_pdbx_poly_seq_scheme.seq_id'
'_floating_chirality.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_floating_chirality.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle_constraint.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle_constraint.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle_constraint.seq_id_3' '_pdbx_poly_seq_scheme.seq_id'
'_torsion_angle_constraint.seq_id_4' '_pdbx_poly_seq_scheme.seq_id'
'_rdc_constraint.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_rdc_constraint.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_j_three_bond_constraint.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_j_three_bond_constraint.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_j_three_bond_constraint.seq_id_3' '_pdbx_poly_seq_scheme.seq_id'
'_j_three_bond_constraint.seq_id_4' '_pdbx_poly_seq_scheme.seq_id'
'_ca_cb_constraint.seq_id_1' '_pdbx_poly_seq_scheme.seq_id'
'_ca_cb_constraint.seq_id_2' '_pdbx_poly_seq_scheme.seq_id'
'_ca_cb_constraint.seq_id_3' '_pdbx_poly_seq_scheme.seq_id'
'_ca_cb_constraint.seq_id_4' '_pdbx_poly_seq_scheme.seq_id'
'_ca_cb_constraint.seq_id_5' '_pdbx_poly_seq_scheme.seq_id'
'_h_chem_shift_constraint.seq_id' '_pdbx_poly_seq_scheme.seq_id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.mon_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Mon_ID'
;
_item.name '_pdbx_poly_seq_scheme.mon_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.pdb_seq_num
_item_description.description
;
PDB residue number.
;
_item.name '_pdbx_poly_seq_scheme.pdb_seq_num'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.auth_seq_num
_item_description.description
;
Pointer to '_Atom_site.Auth_seq_ID'
;
_item.name '_pdbx_poly_seq_scheme.auth_seq_num'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.pdb_mon_id
_item_description.description
;
PDB residue name.
;
_item.name '_pdbx_poly_seq_scheme.pdb_mon_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.auth_mon_id
_item_description.description
;
Pointer to '_Atom_site.Auth_comp_ID'
;
_item.name '_pdbx_poly_seq_scheme.auth_mon_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.pdb_strand_id
_item_description.description
;
PDB strand/chain id.
;
_item.name '_pdbx_poly_seq_scheme.pdb_strand_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.pdb_ins_code
_item_description.description
;
PDB insertion code.
;
_item.name '_pdbx_poly_seq_scheme.pdb_ins_code'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__pdbx_poly_seq_scheme.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_pdbx_poly_seq_scheme.entry_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.assembly_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_pdbx_poly_seq_scheme.assembly_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_pdbx_nonpoly_scheme
_category.description
;
Items in the PDBX_nonpoly_scheme category provide residue level nomenclature mapping for non-polymer entities.
;
_category.id 'pdbx_nonpoly_scheme'
_category.mandatory_code yes
loop_
_category_key.name
'_pdbx_nonpoly_scheme.entity_assembly_id'
'_pdbx_nonpoly_scheme.entry_id'
'_pdbx_nonpoly_scheme.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__pdbx_nonpoly_scheme.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_pdbx_nonpoly_scheme.entity_assembly_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__pdbx_nonpoly_scheme.asym_id
_item_description.description
;
Pointer to '_Atom_site.Label_asym_ID'
;
_item.name '_pdbx_nonpoly_scheme.asym_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_pdbx_nonpoly_scheme.entity_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__pdbx_nonpoly_scheme.mon_id
_item_description.description
;
Pointer to _Atom_site.Label_comp_ID'
;
_item.name '_pdbx_nonpoly_scheme.mon_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.comp_index_id
_item_description.description
;
?
;
_item.name '_pdbx_nonpoly_scheme.comp_index_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__pdbx_nonpoly_scheme.comp_id
_item_description.description
;
?
;
_item.name '_pdbx_nonpoly_scheme.comp_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_seq_num
_item_description.description
;
PDB residue number.
;
_item.name '_pdbx_nonpoly_scheme.pdb_seq_num'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.auth_seq_num
_item_description.description
;
Pointer to '_Atom_site.Auth_seq_ID'
;
_item.name '_pdbx_nonpoly_scheme.auth_seq_num'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_mon_id
_item_description.description
;
PDB residue name.
;
_item.name '_pdbx_nonpoly_scheme.pdb_mon_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.auth_mon_id
_item_description.description
;
Pointer to '_Atom_site.Auth_comp_ID'
;
_item.name '_pdbx_nonpoly_scheme.auth_mon_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_strand_id
_item_description.description
;
PDB strand/chain id.
;
_item.name '_pdbx_nonpoly_scheme.pdb_strand_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_ins_code
_item_description.description
;
PDB insertion code.
;
_item.name '_pdbx_nonpoly_scheme.pdb_ins_code'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_pdbx_nonpoly_scheme.entry_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.assembly_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_pdbx_nonpoly_scheme.assembly_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_atom_type
_category.description
;
Items in the atom_type category describe atoms from the periodic table.
;
_category.id 'atom_type'
_category.mandatory_code yes
loop_
_category_key.name
'_atom_type.id'
'_atom_type.entry_id'
'_atom_type.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__atom_type.id
_item_description.description
;
Integer value that uniquely defines the atom type. The primary key for
this table.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_atom_type.id' 'atom_type' no
'_atom.atom_type_id' 'atom' no
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_atom.atom_type_id' '_atom_type.id'
stop_
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__atom_type.symbol
_item_description.description
;
Standard IUPAC atom symbol
;
_item.name '_atom_type.symbol'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
C
;
stop_
_item_type.code 'code'
save_
save__atom_type.atomic_number
_item_description.description
;
Atom atomic number
;
_item.name '_atom_type.atomic_number'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
6
;
stop_
_item_type.code 'int'
save_
save__atom_type.isotope_number
_item_description.description
;
Atom isotope number
;
_item.name '_atom_type.isotope_number'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
13
;
stop_
_item_type.code 'int'
save_
save__atom_type.oxidation_number
_item_description.description
;
Atom oxidation number
;
_item.name '_atom_type.oxidation_number'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
0
;
stop_
_item_type.code 'code'
save_
save__atom_type.paramagnetic
_item_description.description
;
Flag indicating if the atom is paramagnetic.
;
_item.name '_atom_type.paramagnetic'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
no
;
stop_
_item_type.code 'yes_no'
save_
save__atom_type.electron_configuration
_item_description.description
;
Electron configuration for the atom
;
_item.name '_atom_type.electron_configuration'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__atom_type.unpaired_electron_number
_item_description.description
;
Number of unpaired electrons on the atom
;
_item.name '_atom_type.unpaired_electron_number'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
0
;
stop_
_item_type.code 'int'
save_
save__atom_type.atomic_mass
_item_description.description
;
Atom atomic mass
;
_item.name '_atom_type.atomic_mass'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__atom_type.van_der_vaals_radii
_item_description.description
;
van der Valls radii for the atom
;
_item.name '_atom_type.van_der_vaals_radii'
_item.category_id 'atom_type'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__atom_type.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_atom_type.entry_id'
_item.category_id 'atom_type'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom_type.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_atom_type.assembly_id'
_item.category_id 'atom_type'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_atom
_category.description
;
Items in the atom category provide atom level nomenclature and mappings for polymer and non-polymer components in the molecular assembly.
;
_category.id 'atom'
_category.mandatory_code yes
loop_
_category_key.name
'_atom.assembly_atom_id'
'_atom.entry_id'
'_atom.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__atom.assembly_atom_id
_item_description.description
;
A value that uniquely identifies the atom from all other atoms in the molecular
assembly.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_atom.assembly_atom_id' 'atom' yes
'_bond.assembly_atom_id_1' 'bond' yes
'_bond.assembly_atom_id_2' 'bond' yes
'_deleted_atom.assembly_atom_id' 'deleted_atom' yes
'_angle.assembly_atom_id_1' 'angle' yes
'_angle.assembly_atom_id_2' 'angle' yes
'_angle.assembly_atom_id_3' 'angle' yes
'_torsion_angle.assembly_atom_id_1' 'torsion_angle' yes
'_torsion_angle.assembly_atom_id_2' 'torsion_angle' yes
'_torsion_angle.assembly_atom_id_3' 'torsion_angle' yes
'_torsion_angle.assembly_atom_id_4' 'torsion_angle' yes
'_assembly_segment.assembly_atom_id' 'assembly_segment' yes
'_author_annotation.assembly_atom_id' 'author_annotation' yes
'_sample_component_atom_isotope.assembly_atom_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.assembly_atom_id' 'atom_chem_shift' yes
'_coupling_constant.assembly_atom_id_1' 'coupling_constant' yes
'_coupling_constant.assembly_atom_id_2' 'coupling_constant' yes
'_assigned_peak_chem_shift.assembly_atom_id' 'assigned_peak_chem_shift' yes
'_resonance_assignment.assembly_atom_id' 'resonance_assignment' yes
'_isotope_effect.assembly_atom_id' 'isotope_effect' yes
'_isotope_label_pattern.assembly_atom_id' 'isotope_label_pattern' yes
'_mol_interaction_chem_shift.assembly_atom_id' 'mol_interaction_chem_shift' yes
'_cs_anisotropy.assembly_atom_id' 'cs_anisotropy' yes
'_chem_shielding_tensor.assembly_atom_id' 'chem_shielding_tensor' yes
'_theoretical_chem_shift.assembly_atom_id' 'theoretical_chem_shift' yes
'_rdc.assembly_atom_id_1' 'rdc' yes
'_rdc.assembly_atom_id_2' 'rdc' yes
'_dipolar_coupling.assembly_atom_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.assembly_atom_id_2' 'dipolar_coupling' yes
'_spectral_density.assembly_atom_id' 'spectral_density' yes
'_other_data.assembly_atom_id' 'other_data' yes
'_h_exch_rate.assembly_atom_id' 'h_exch_rate' yes
'_h_exch_protection_factor.assembly_atom_id' 'h_exch_protection_factor' yes
'_homonucl_noe.assembly_atom_id_1' 'homonucl_noe' yes
'_homonucl_noe.assembly_atom_id_2' 'homonucl_noe' yes
'_heteronucl_noe.assembly_atom_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.assembly_atom_id_2' 'heteronucl_noe' yes
'_t1.assembly_atom_id' 't1' yes
'_t1rho.assembly_atom_id' 't1rho' yes
'_t2.assembly_atom_id' 't2' yes
'_dipole_dipole_relax.assembly_atom_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.assembly_atom_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_entry_atom_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_entry_atom_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entry_atom_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entry_atom_id_2' 'cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_entry_atom_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_entry_atom_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entry_atom_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entry_atom_id_2' 'cross_correlation_d_csa' yes
'_order_param.assembly_atom_id' 'order_param' yes
'_ph_titr_result.atom_observed_entry_atom_id' 'ph_titr_result' yes
'_ph_titr_result.atom_titrated_entry_atom_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.assembly_atom_id' 'd_h_fractionation_factor' yes
'_deduced_secd_struct_feature.assembly_atom_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_entry_atom_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_entry_atom_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.hydrogen_atom_entry_atom_id' 'deduced_h_bond' yes
'_atom_site.assembly_atom_id' 'atom_site' yes
'_rep_conf.assembly_atom_id' 'rep_conf' yes
'_angular_order_param.assembly_atom_id' 'angular_order_param' yes
'_tertiary_struct.assembly_atom_id' 'tertiary_struct' yes
'_bond_annotation.assembly_atom_id_1' 'bond_annotation' yes
'_bond_annotation.assembly_atom_id_2' 'bond_annotation' yes
'_structure_interaction.assembly_atom_id_1' 'structure_interaction' yes
'_structure_interaction.assembly_atom_id_2' 'structure_interaction' yes
'_dist_constraint.assembly_atom_id' 'dist_constraint' yes
'_floating_chirality.assembly_atom_id_1' 'floating_chirality' yes
'_floating_chirality.assembly_atom_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.assembly_atom_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.assembly_atom_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.assembly_atom_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.assembly_atom_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.assembly_atom_id_1' 'rdc_constraint' yes
'_rdc_constraint.assembly_atom_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.assembly_atom_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.assembly_atom_id' 'h_chem_shift_constraint' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.assembly_atom_id_1' '_atom.assembly_atom_id'
'_bond.assembly_atom_id_2' '_atom.assembly_atom_id'
'_deleted_atom.assembly_atom_id' '_atom.assembly_atom_id'
'_angle.assembly_atom_id_1' '_atom.assembly_atom_id'
'_angle.assembly_atom_id_2' '_atom.assembly_atom_id'
'_angle.assembly_atom_id_3' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_1' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_2' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_3' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_4' '_atom.assembly_atom_id'
'_assembly_segment.assembly_atom_id' '_atom.assembly_atom_id'
'_author_annotation.assembly_atom_id' '_atom.assembly_atom_id'
'_sample_component_atom_isotope.assembly_atom_id' '_atom.assembly_atom_id'
'_atom_chem_shift.assembly_atom_id' '_atom.assembly_atom_id'
'_coupling_constant.assembly_atom_id_1' '_atom.assembly_atom_id'
'_coupling_constant.assembly_atom_id_2' '_atom.assembly_atom_id'
'_assigned_peak_chem_shift.assembly_atom_id' '_atom.assembly_atom_id'
'_resonance_assignment.assembly_atom_id' '_atom.assembly_atom_id'
'_isotope_effect.assembly_atom_id' '_atom.assembly_atom_id'
'_isotope_label_pattern.assembly_atom_id' '_atom.assembly_atom_id'
'_mol_interaction_chem_shift.assembly_atom_id' '_atom.assembly_atom_id'
'_cs_anisotropy.assembly_atom_id' '_atom.assembly_atom_id'
'_chem_shielding_tensor.assembly_atom_id' '_atom.assembly_atom_id'
'_theoretical_chem_shift.assembly_atom_id' '_atom.assembly_atom_id'
'_rdc.assembly_atom_id_1' '_atom.assembly_atom_id'
'_rdc.assembly_atom_id_2' '_atom.assembly_atom_id'
'_dipolar_coupling.assembly_atom_id_1' '_atom.assembly_atom_id'
'_dipolar_coupling.assembly_atom_id_2' '_atom.assembly_atom_id'
'_spectral_density.assembly_atom_id' '_atom.assembly_atom_id'
'_other_data.assembly_atom_id' '_atom.assembly_atom_id'
'_h_exch_rate.assembly_atom_id' '_atom.assembly_atom_id'
'_h_exch_protection_factor.assembly_atom_id' '_atom.assembly_atom_id'
'_homonucl_noe.assembly_atom_id_1' '_atom.assembly_atom_id'
'_homonucl_noe.assembly_atom_id_2' '_atom.assembly_atom_id'
'_heteronucl_noe.assembly_atom_id_1' '_atom.assembly_atom_id'
'_heteronucl_noe.assembly_atom_id_2' '_atom.assembly_atom_id'
'_t1.assembly_atom_id' '_atom.assembly_atom_id'
'_t1rho.assembly_atom_id' '_atom.assembly_atom_id'
'_t2.assembly_atom_id' '_atom.assembly_atom_id'
'_dipole_dipole_relax.assembly_atom_id_1' '_atom.assembly_atom_id'
'_dipole_dipole_relax.assembly_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_1_entry_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_1_entry_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_2_entry_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_2_entry_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.dipole_entry_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.dipole_entry_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.csa_entry_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.csa_entry_atom_id_2' '_atom.assembly_atom_id'
'_order_param.assembly_atom_id' '_atom.assembly_atom_id'
'_ph_titr_result.atom_observed_entry_atom_id' '_atom.assembly_atom_id'
'_ph_titr_result.atom_titrated_entry_atom_id' '_atom.assembly_atom_id'
'_d_h_fractionation_factor.assembly_atom_id' '_atom.assembly_atom_id'
'_deduced_secd_struct_feature.assembly_atom_id' '_atom.assembly_atom_id'
'_deduced_h_bond.heavy_atom_entry_atom_id_1' '_atom.assembly_atom_id'
'_deduced_h_bond.heavy_atom_entry_atom_id_2' '_atom.assembly_atom_id'
'_deduced_h_bond.hydrogen_atom_entry_atom_id' '_atom.assembly_atom_id'
'_atom_site.assembly_atom_id' '_atom.assembly_atom_id'
'_rep_conf.assembly_atom_id' '_atom.assembly_atom_id'
'_angular_order_param.assembly_atom_id' '_atom.assembly_atom_id'
'_tertiary_struct.assembly_atom_id' '_atom.assembly_atom_id'
'_bond_annotation.assembly_atom_id_1' '_atom.assembly_atom_id'
'_bond_annotation.assembly_atom_id_2' '_atom.assembly_atom_id'
'_structure_interaction.assembly_atom_id_1' '_atom.assembly_atom_id'
'_structure_interaction.assembly_atom_id_2' '_atom.assembly_atom_id'
'_dist_constraint.assembly_atom_id' '_atom.assembly_atom_id'
'_floating_chirality.assembly_atom_id_1' '_atom.assembly_atom_id'
'_floating_chirality.assembly_atom_id_2' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_3' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_4' '_atom.assembly_atom_id'
'_rdc_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_rdc_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_3' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_4' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_3' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_4' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_5' '_atom.assembly_atom_id'
'_h_chem_shift_constraint.assembly_atom_id' '_atom.assembly_atom_id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__atom.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_atom.entity_assembly_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__atom.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_atom.entity_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__atom.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_atom.comp_index_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__atom.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_atom.seq_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__atom.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_atom.comp_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.atom_type_id
_item_description.description
;
Pointer to '_Atom_type.ID'
;
_item.name '_atom.atom_type_id'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__atom.atom_id
_item_description.description
;
The value of _Atom.Atom_id must uniquely identify a record in the atom list.
;
_item.name '_atom.atom_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__atom.type_symbol
_item_description.description
;
The code used to identify the atom specie(s) representing this atom type.
Normally this code is the element symbol. The code may be composed of any character
except an underline with the additional proviso that digits designate an
oxidation state and must be followed by a + or - character.
;
_item.name '_atom.type_symbol'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_one_letter_code
_item_description.description
;
One-letter code used by the PDB for amino acids and nucleic acids.
;
_item.name '_atom.pdb_one_letter_code'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_strand_id
_item_description.description
;
PDB strand/chain id.
;
_item.name '_atom.pdb_strand_id'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_ins_code
_item_description.description
;
PDB insertion code.
;
_item.name '_atom.pdb_ins_code'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_asym_id
_item_description.description
;
Pointer to _Atom_site.Label_asym_id'.
;
_item.name '_atom.pdb_asym_id'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_atom.pdb_seq_id'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__atom.pdb_comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_atom.pdb_comp_id'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_group
_item_description.description
;
The group of atoms to which the atom site belongs. This data item is provided
for compatibility with the original Protein Data Bank format, and only for
that purpose.
;
_item.name '_atom.pdb_group'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_atom_id
_item_description.description
;
This data item is a pointer to '_Chem_comp_atom.Atom_id in the chem_comp_atom
category.
;
_item.name '_atom.pdb_atom_id'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.pdb_atom_type
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_atom.pdb_atom_type'
_item.category_id 'atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_atom.entry_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__atom.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_atom.assembly_id'
_item.category_id 'atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_bond
_category.description
;
Items in the bond category define a unique identifier for each bond in the molecular assembly.
;
_category.id 'bond'
_category.mandatory_code yes
loop_
_category_key.name
'_bond.id'
'_bond.entry_id'
'_bond.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__bond.id
_item_description.description
;
Unique identifier for the bond being defined.
;
_item.name '_bond.id'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.type
_item_description.description
;
A descriptive phrase or word that characterized the bond.
;
_item.name '_bond.type'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
amide ?
covalent ?
directed ?
disulfide ?
ester ?
ether ?
hydrogen ?
'metal coordination' ?
peptide ?
thioether ?
stop_
loop_
_item_examples.case
;
disulfide
;
stop_
_item_type.code 'line'
save_
save__bond.order
_item_description.description
;
The order of the bond between two atoms (i.e.$ single$ double$ etc.)
;
_item.name '_bond.order'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
SING ?
DOUB ?
TRIP ?
AROM ?
PARTIAL-DOUBLE ?
DIRECTED ?
stop_
loop_
_item_examples.case
;
SING
;
stop_
_item_type.code 'line'
save_
save__bond.assembly_atom_id_1
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_bond.assembly_atom_id_1'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.entity_assembly_id_1
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_bond.entity_assembly_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.entity_assembly_name_1
_item_description.description
;
Pointer to '_Entity_assembly.Entity_assembly_name'
;
_item.name '_bond.entity_assembly_name_1'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__bond.entity_id_1
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_bond.entity_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_bond.comp_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__bond.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_bond.comp_index_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.seq_id_1
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_bond.seq_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
36
;
stop_
_item_type.code 'int'
save_
save__bond.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_bond.atom_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
SG
;
stop_
_item_type.code 'atcode'
save_
save__bond.assembly_atom_id_2
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_bond.assembly_atom_id_2'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.entity_assembly_id_2
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_bond.entity_assembly_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.entity_assembly_name_2
_item_description.description
;
Pointer to '_Entity_assembly.Entity_assembly_name'
;
_item.name '_bond.entity_assembly_name_2'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__bond.entity_id_2
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_bond.entity_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_bond.comp_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__bond.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_bond.comp_index_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__bond.seq_id_2
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_bond.seq_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
5
;
stop_
_item_type.code 'int'
save_
save__bond.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_bond.atom_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
SG
;
stop_
_item_type.code 'atcode'
save_
save__bond.auth_entity_assembly_name_1
_item_description.description
;
Enter the name given to the biopolymer or ligand as a component of the
molecular system where the first atom in the bond is located. For complex systems
that have many components, this might be something like 'alpha chain 1' or 'heme
3'. A pull down list of the names assigned to the molecular system components
in the section above is provided.
;
_item.name '_bond.auth_entity_assembly_name_1'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
monomer 1
;
stop_
_item_type.code 'line'
save_
save__bond.auth_seq_id_1
_item_description.description
;
An alternative identifier for Seq_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_bond.auth_seq_id_1'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
13
;
stop_
_item_type.code 'code'
save_
save__bond.auth_comp_id_1
_item_description.description
;
An alternative identifier for Comp_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_comp_id_1'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
CYS
;
stop_
_item_type.code 'code'
save_
save__bond.auth_atom_id_1
_item_description.description
;
An alternative identifier for Atom_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_atom_id_1'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
SG
;
stop_
_item_type.code 'code'
save_
save__bond.auth_entity_assembly_name_2
_item_description.description
;
Enter the name given to the biopolymer or ligand as a component of the
molecular system where the second atom in the bond is located. For complex systems
that have many components, this might be something like 'alpha chain 1' or 'heme
3'. A pull down list of the names assigned to the molecular system components
in the section above is provided.
;
_item.name '_bond.auth_entity_assembly_name_2'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
monomer 2
;
stop_
_item_type.code 'line'
save_
save__bond.auth_seq_id_2
_item_description.description
;
An alternative identifier for Seq_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_bond.auth_seq_id_2'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
42
;
stop_
_item_type.code 'code'
save_
save__bond.auth_comp_id_2
_item_description.description
;
An alternative identifier for Comp_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_comp_id_2'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
CYS
;
stop_
_item_type.code 'code'
save_
save__bond.auth_atom_id_2
_item_description.description
;
An alternative identifier for Atom_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_atom_id_2'
_item.category_id 'bond'
_item.mandatory_code no
loop_
_item_examples.case
;
SG
;
stop_
_item_type.code 'code'
save_
save__bond.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_bond.entry_id'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__bond.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_bond.assembly_id'
_item.category_id 'bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_deleted_atom
_category.description
;
Items in the deleted_atom category define the atoms that are deleted from molecular entities when intermolecular bonds are formed to construct the molecular assembly.
;
_category.id 'deleted_atom'
_category.mandatory_code yes
loop_
_category_key.name
'_deleted_atom.id'
'_deleted_atom.entry_id'
'_deleted_atom.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__deleted_atom.id
_item_description.description
;
Unique identifier used to index the rows of deleted atoms.
;
_item.name '_deleted_atom.id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__deleted_atom.assembly_atom_id
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_deleted_atom.assembly_atom_id'
_item.category_id 'deleted_atom'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__deleted_atom.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_deleted_atom.entity_assembly_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
2
;
stop_
_item_type.code 'int'
save_
save__deleted_atom.entity_assembly_name
_item_description.description
;
Provide the name given to the molecule in the molecular assembly where
the deleted atom is located. There may be several identical biopolymers in the
system, but the one where the specific atom has been deleted needs to be specified.
If the same atom is missing from multiple polymers in the system, a row in
this table needs to be created for each deleted atom. In this way a complete and
accurate chemical structure for the molecular system can be constructed.
;
_item.name '_deleted_atom.entity_assembly_name'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__deleted_atom.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_deleted_atom.entity_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__deleted_atom.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_deleted_atom.entity_label'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__deleted_atom.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_deleted_atom.comp_index_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__deleted_atom.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_deleted_atom.seq_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
13
;
stop_
_item_type.code 'int'
save_
save__deleted_atom.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_deleted_atom.comp_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__deleted_atom.comp_label
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_deleted_atom.comp_label'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
CYS
;
stop_
_item_type.code 'label'
save_
save__deleted_atom.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_deleted_atom.atom_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
HG
;
stop_
_item_type.code 'atcode'
save_
save__deleted_atom.auth_seq_id
_item_description.description
;
An alternative identifier for Seq_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_deleted_atom.auth_seq_id'
_item.category_id 'deleted_atom'
_item.mandatory_code no
loop_
_item_examples.case
;
42
;
stop_
_item_type.code 'code'
save_
save__deleted_atom.auth_comp_id
_item_description.description
;
An alternative identifier for Comp_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_deleted_atom.auth_comp_id'
_item.category_id 'deleted_atom'
_item.mandatory_code no
loop_
_item_examples.case
;
CYS
;
stop_
_item_type.code 'code'
save_
save__deleted_atom.auth_atom_id
_item_description.description
;
An alternative identifier for Atom_id that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_deleted_atom.auth_atom_id'
_item.category_id 'deleted_atom'
_item.mandatory_code no
loop_
_item_examples.case
;
HG
;
stop_
_item_type.code 'code'
save_
save__deleted_atom.atom_type
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_deleted_atom.atom_type'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
H
;
stop_
_item_type.code 'code'
save_
save__deleted_atom.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_deleted_atom.entry_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__deleted_atom.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_deleted_atom.assembly_id'
_item.category_id 'deleted_atom'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_bio_function
_category.description
;
Items in the assembly_bio_function category describe the biological functions carried out by a molecular assembly.
;
_category.id 'assembly_bio_function'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_bio_function.biological_function'
'_assembly_bio_function.entry_id'
'_assembly_bio_function.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_bio_function.biological_function
_item_description.description
;
Very brief description of the biological function of the entity assembly.
;
_item.name '_assembly_bio_function.biological_function'
_item.category_id 'assembly_bio_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_bio_function.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_bio_function.entry_id'
_item.category_id 'assembly_bio_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_bio_function.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_bio_function.assembly_id'
_item.category_id 'assembly_bio_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_angle
_category.description
;
Items in the angle category define a unique identifier for each angle described by three linked atoms in the molecular assembly.
;
_category.id 'angle'
_category.mandatory_code yes
loop_
_category_key.name
'_angle.id'
'_angle.entry_id'
'_angle.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__angle.id
_item_description.description
;
Unique identifier for the angle that is valid across the full molecular
assembly.
;
_item.name '_angle.id'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.angle_name
_item_description.description
;
Name for the angle defined as a community recognized standard.
;
_item.name '_angle.angle_name'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__angle.assembly_atom_id_1
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_angle.assembly_atom_id_1'
_item.category_id 'angle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_assembly_id_1
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_angle.entity_assembly_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_id_1
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_angle.entity_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_label_1
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_angle.entity_label_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__angle.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_angle.comp_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__angle.comp_label_1
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_angle.comp_label_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__angle.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_angle.comp_index_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.seq_id_1
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_angle.seq_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_angle.atom_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__angle.atom_type_1
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_angle.atom_type_1'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__angle.assembly_atom_id_2
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_angle.assembly_atom_id_2'
_item.category_id 'angle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_assembly_id_2
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_angle.entity_assembly_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_id_2
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_angle.entity_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_label_2
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_angle.entity_label_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__angle.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_angle.comp_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__angle.comp_label_2
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_angle.comp_label_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__angle.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_angle.comp_index_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.seq_id_2
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_angle.seq_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_angle.atom_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__angle.atom_type_2
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_angle.atom_type_2'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__angle.assembly_atom_id_3
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_angle.assembly_atom_id_3'
_item.category_id 'angle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_assembly_id_3
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_angle.entity_assembly_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_id_3
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_angle.entity_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.entity_label_3
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_angle.entity_label_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__angle.comp_id_3
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_angle.comp_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__angle.comp_label_3
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_angle.comp_label_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__angle.comp_index_id_3
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_angle.comp_index_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.seq_id_3
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_angle.seq_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__angle.atom_id_3
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_angle.atom_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__angle.atom_type_3
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_angle.atom_type_3'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__angle.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_angle.entry_id'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__angle.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_angle.assembly_id'
_item.category_id 'angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_torsion_angle
_category.description
;
Items in the torsion_angle category define a unique identifier for each torsion angle in the molecular assembly.
;
_category.id 'torsion_angle'
_category.mandatory_code yes
loop_
_category_key.name
'_torsion_angle.id'
'_torsion_angle.entry_id'
'_torsion_angle.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__torsion_angle.id
_item_description.description
;
Unique identifier for the torsion angle that is valid across the full molecular
assembly.
;
_item.name '_torsion_angle.id'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.torsion_angle_name
_item_description.description
;
Name for the torsion angle commonly used in the scientific literature or
defined by a recognized organization for standard scientific nomenclature.
;
_item.name '_torsion_angle.torsion_angle_name'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__torsion_angle.assembly_atom_id_1
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_1
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_id_1
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_label_1
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.comp_label_1
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.seq_id_1
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_torsion_angle.seq_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_1
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.assembly_atom_id_2
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_2
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_id_2
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_label_2
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.comp_label_2
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.seq_id_2
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_torsion_angle.seq_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_2
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.assembly_atom_id_3
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_3
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_id_3
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_label_3
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_id_3
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.comp_label_3
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_index_id_3
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.seq_id_3
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_torsion_angle.seq_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.atom_id_3
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_3
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.assembly_atom_id_4
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_4
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_id_4
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.entity_label_4
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_id_4
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.comp_label_4
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__torsion_angle.comp_index_id_4
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.seq_id_4
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_torsion_angle.seq_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__torsion_angle.atom_id_4
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_4
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_torsion_angle.entry_id'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__torsion_angle.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_torsion_angle.assembly_id'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_segment
_category.description
;
Items in the assembly_segment category define at levels from atom to chemical component subsets of the assembly. The subsets may be but are not limited to contiguous atoms or components of the assembly. As an example, the active site of a molecular assembly could be defined as a segment.
;
_category.id 'assembly_segment'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_segment.id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_segment.id
_item_description.description
;
Integer value that uniquely defines the segment of the molecular assembly
described. This tag is not the primary key for this table.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly_segment.id' 'assembly_segment' yes
'_assembly_segment_description.assembly_segment_id' 'assembly_segment_description' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_assembly_segment_description.assembly_segment_id' '_assembly_segment.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_segment.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_assembly_segment.entity_assembly_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_segment.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_assembly_segment.entity_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_segment.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_assembly_segment.entity_label'
_item.category_id 'assembly_segment'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__assembly_segment.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_assembly_segment.comp_index_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_segment.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_assembly_segment.comp_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_segment.comp_label
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_assembly_segment.comp_label'
_item.category_id 'assembly_segment'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__assembly_segment.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_assembly_segment.seq_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_segment.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_assembly_segment.atom_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__assembly_segment.assembly_atom_id
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_assembly_segment.assembly_atom_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_segment.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_segment.entry_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_segment.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_segment.assembly_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_segment_description
_category.description
;
Items in the assembly_segment_description category provide a description of an assembly segment.
;
_category.id 'assembly_segment_description'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_segment_description.entry_id'
'_assembly_segment_description.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_segment_description.assembly_segment_id
_item_description.description
;
Pointer to '_Assembly_segment.ID'
;
_item.name '_assembly_segment_description.assembly_segment_id'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_segment_description.code
_item_description.description
;
Code that defines the type of assembly segment.
;
_item.name '_assembly_segment_description.code'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_segment_description.details
_item_description.description
;
Text providing additional information about the assembly segment.
;
_item.name '_assembly_segment_description.details'
_item.category_id 'assembly_segment_description'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__assembly_segment_description.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_segment_description.entry_id'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_segment_description.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_segment_description.assembly_id'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_keyword
_category.description
;
Items in the assembly_keyword category provide keywords describing the molecular system.
;
_category.id 'assembly_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_keyword.keyword'
'_assembly_keyword.entry_id'
'_assembly_keyword.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_keyword.keyword
_item_description.description
;
A word or very brief phrase that provide a concise description of the entity
assembly.
;
_item.name '_assembly_keyword.keyword'
_item.category_id 'assembly_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_keyword.entry_id'
_item.category_id 'assembly_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_keyword.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_keyword.assembly_id'
_item.category_id 'assembly_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_citation
_category.description
;
Items in the assembly_citation category provide a pointer to a citation where the molecular assembly is described.
;
_category.id 'assembly_citation'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_citation.citation_id'
'_assembly_citation.entry_id'
'_assembly_citation.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_assembly_citation.citation_id'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_assembly_citation.citation_label'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__assembly_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_citation.entry_id'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_citation.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_citation.assembly_id'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_annotation_list
_category.description
;
category description not available
;
_category.id 'assembly_annotation_list'
loop_
_category_key.name
'_assembly_annotation_list.entry_id'
'_assembly_annotation_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_annotation'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_annotation_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_assembly_annotation_list.sf_category'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_annotation_list.sf_framecode
_item_description.description
;
The framecode for the save frame where author defined annotations for the
molecular assembly studied are provided.
;
_item.name '_assembly_annotation_list.sf_framecode'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_annotation_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_annotation_list.entry_id'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_annotation_list.id
_item_description.description
;
An integer value that uniquely defines the assembly annotation saveframe
from other assembly annotation saveframes in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly_annotation_list.id' 'assembly_annotation_list' yes
'_author_annotation.assembly_annotation_list_id' 'author_annotation' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_author_annotation.assembly_annotation_list_id' '_assembly_annotation_list.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_annotation_list.source
_item_description.description
;
Code defining the source of the annotation provided.
;
_item.name '_assembly_annotation_list.source'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_annotation_list.details
_item_description.description
;
Text providing additional information regarding the annotation provided
for the assembly and/or its subsystems.
;
_item.name '_assembly_annotation_list.details'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save_author_annotation
_category.description
;
category description not available
;
_category.id 'author_annotation'
loop_
_category_key.name
'_author_annotation.id'
'_author_annotation.entry_id'
'_author_annotation.assembly_annotation_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_annotation'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__author_annotation.id
_item_description.description
;
An integer value that uniquely identifies the author provided annotation.
;
_item.name '_author_annotation.id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_author_annotation.assembly_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_author_annotation.assembly_subsystem_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_author_annotation.entity_assembly_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_author_annotation.entity_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_author_annotation.comp_index_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.comp_index_id_start
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_author_annotation.comp_index_id_start'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.comp_index_id_end
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_author_annotation.comp_index_id_end'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_author_annotation.seq_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.seq_id_start
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_author_annotation.seq_id_start'
_item.category_id 'author_annotation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.seq_id_end
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_author_annotation.seq_id_end'
_item.category_id 'author_annotation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_author_annotation.comp_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__author_annotation.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_author_annotation.atom_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__author_annotation.assembly_atom_id
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_author_annotation.assembly_atom_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__author_annotation.annotation_code
_item_description.description
;
A code that describes the kind of annotation provided.
;
_item.name '_author_annotation.annotation_code'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__author_annotation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_author_annotation.entry_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__author_annotation.assembly_annotation_list_id
_item_description.description
;
Pointer to '_Assembly_annotation_list.ID'
;
_item.name '_author_annotation.assembly_annotation_list_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_assembly_subsystem
_category.description
;
category description not available
;
_category.id 'assembly_subsystem'
loop_
_category_key.name
'_assembly_subsystem.entry_id'
'_assembly_subsystem.id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__assembly_subsystem.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_assembly_subsystem.sf_category'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_subsystem.sf_framecode
_item_description.description
;
A descriptive label that uniquely identifies this molecular subsystem from
all other subsystems of the molecular assembly studied.
;
_item.name '_assembly_subsystem.sf_framecode'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_subsystem.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_subsystem.entry_id'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__assembly_subsystem.id
_item_description.description
;
An integer value that uniquely defines the subsystem of the molecular assembly
described. An assembly subsystem contains a subset of the components of
the full molecular assembly, but does not consist of fragments of the molecular
assembly components.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly_subsystem.id' 'assembly_subsystem' yes
'_author_annotation.assembly_subsystem_id' 'author_annotation' yes
'_subsystem_common_name.assembly_subsystem_id' 'subsystem_common_name' yes
'_subsystem_type.assembly_subsystem_id' 'subsystem_type' yes
'_subsystem_component.assembly_subsystem_id' 'subsystem_component' yes
'_subsystem_keyword.assembly_subsystem_id' 'subsystem_keyword' yes
'_subsystem_biological_function.assembly_subsystem_id' 'subsystem_biological_function' yes
'_subsystem_db_link.assembly_subsystem_id' 'subsystem_db_link' yes
'_subsystem_citation.assembly_subsystem_list_id' 'subsystem_citation' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_author_annotation.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_common_name.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_type.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_component.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_keyword.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_biological_function.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_db_link.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_citation.assembly_subsystem_list_id' '_assembly_subsystem.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__assembly_subsystem.name
_item_description.description
;
Author supplied name for the assembly subsystem.
;
_item.name '_assembly_subsystem.name'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_subsystem.cas_name
_item_description.description
;
Chemical Abstract Services name that applies to the assembly subsystem.
;
_item.name '_assembly_subsystem.cas_name'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_subsystem.cas_registry_number
_item_description.description
;
Chemical Abstract Services registry number that applies to the assembly
subsystem.
;
_item.name '_assembly_subsystem.cas_registry_number'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__assembly_subsystem.enzyme_commission_number
_item_description.description
;
Identification number defined by the Enzyme Commission for the protein
molecular system, or biological molecular system described in the saveframe.
;
_item.name '_assembly_subsystem.enzyme_commission_number'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
loop_
_item_examples.case
;
3.1.3.5.3
;
stop_
_item_type.code 'line'
save_
save__assembly_subsystem.molecular_mass
_item_description.description
;
The approximate mass of the system as defined by the authors and is intended
to approximate the sum of the masses of all of the atoms in the system. No
attempt is made to define the mass at a specific pH value, in terms of the protonation
state of any pH titratable groups, or according to the incorporation
of isotopes.
;
_item.name '_assembly_subsystem.molecular_mass'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
loop_
_item_examples.case
;
24000
;
stop_
_item_type.code 'float'
save_
save__assembly_subsystem.details
_item_description.description
;
Additional information relevant to the data in the current saveframe or
to a specific data item is entered as a value to this tag. The information entered
must supplement information already present. Whenever possible data should
associated with specific data tags and not included in the value to a '_Details' tag.
;
_item.name '_assembly_subsystem.details'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__assembly_subsystem.db_query_date
_item_description.description
;
Date that the last query has been conducted to locate entries in external
databases that are related to the assembly subsystem.
;
_item.name '_assembly_subsystem.db_query_date'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__assembly_subsystem.db_last_query_revised_last_date
_item_description.description
;
Date that this table was updated with links to external databases.
;
_item.name '_assembly_subsystem.db_last_query_revised_last_date'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save_subsystem_common_name
_category.description
;
category description not available
;
_category.id 'subsystem_common_name'
loop_
_category_key.name
'_subsystem_common_name.name'
'_subsystem_common_name.entry_id'
'_subsystem_common_name.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__subsystem_common_name.name
_item_description.description
;
A name commonly used in the literature to refer to this assembly subsystem.
;
_item.name '_subsystem_common_name.name'
_item.category_id 'subsystem_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_common_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_common_name.entry_id'
_item.category_id 'subsystem_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__subsystem_common_name.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_common_name.assembly_subsystem_id'
_item.category_id 'subsystem_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_subsystem_type
_category.description
;
category description not available
;
_category.id 'subsystem_type'
loop_
_category_key.name
'_subsystem_type.type'
'_subsystem_type.entry_id'
'_subsystem_type.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__subsystem_type.type
_item_description.description
;
A code that defines the general type or kind of assembly subsystem.
;
_item.name '_subsystem_type.type'
_item.category_id 'subsystem_type'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_type.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_type.entry_id'
_item.category_id 'subsystem_type'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__subsystem_type.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_type.assembly_subsystem_id'
_item.category_id 'subsystem_type'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_subsystem_component
_category.description
;
category description not available
;
_category.id 'subsystem_component'
loop_
_category_key.name
'_subsystem_component.entity_assembly_id'
'_subsystem_component.entry_id'
'_subsystem_component.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__subsystem_component.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_subsystem_component.entity_assembly_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__subsystem_component.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_subsystem_component.entity_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__subsystem_component.entity_label
_item_description.description
;
Pointer to a saveframe of the category entity.
;
_item.name '_subsystem_component.entity_label'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__subsystem_component.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_component.entry_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__subsystem_component.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_component.assembly_subsystem_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_subsystem_keyword
_category.description
;
category description not available
;
_category.id 'subsystem_keyword'
loop_
_category_key.name
'_subsystem_keyword.keyword'
'_subsystem_keyword.entry_id'
'_subsystem_keyword.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__subsystem_keyword.keyword
_item_description.description
;
A keyword that describes the assembly subsystem.
;
_item.name '_subsystem_keyword.keyword'
_item.category_id 'subsystem_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_keyword.entry_id'
_item.category_id 'subsystem_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__subsystem_keyword.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_keyword.assembly_subsystem_id'
_item.category_id 'subsystem_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_subsystem_biological_function
_category.description
;
category description not available
;
_category.id 'subsystem_biological_function'
loop_
_category_key.name
'_subsystem_biological_function.biological_function'
'_subsystem_biological_function.entry_id'
'_subsystem_biological_function.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__subsystem_biological_function.biological_function
_item_description.description
;
A word or very brief phrase that defines a biological function that the
assembly subsystem carries out.
;
_item.name '_subsystem_biological_function.biological_function'
_item.category_id 'subsystem_biological_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__subsystem_biological_function.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_biological_function.entry_id'
_item.category_id 'subsystem_biological_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__subsystem_biological_function.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_biological_function.assembly_subsystem_id'
_item.category_id 'subsystem_biological_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_subsystem_db_link
_category.description
;
category description not available
;
_category.id 'subsystem_db_link'
loop_
_category_key.name
'_subsystem_db_link.database_code'
'_subsystem_db_link.accession_code'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__subsystem_db_link.author_supplied
_item_description.description
;
Boolean code that defines if the link to a database was provided by the
author (yes) or from another source (no).
;
_item.name '_subsystem_db_link.author_supplied'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yes_no'
save_
save__subsystem_db_link.database_code
_item_description.description
;
Abbreviation for the database
;
_item.name '_subsystem_db_link.database_code'
_item.category_id 'subsystem_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_db_link.accession_code
_item_description.description
;
Accession code for the entry in the database.
;
_item.name '_subsystem_db_link.accession_code'
_item.category_id 'subsystem_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_db_link.entry_mol_code
_item_description.description
;
Code assigned by the database to the molecule in the database entry.
;
_item.name '_subsystem_db_link.entry_mol_code'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_db_link.entry_mol_name
_item_description.description
;
Name of the molecular assembly in the database entry.
;
_item.name '_subsystem_db_link.entry_mol_name'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_db_link.entry_experimental_method
_item_description.description
;
Experimental method used to generate the data in the database entry.
;
_item.name '_subsystem_db_link.entry_experimental_method'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_db_link.entry_relation_type
_item_description.description
;
Relationship between the database entry and this BMRB entry.
;
_item.name '_subsystem_db_link.entry_relation_type'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__subsystem_db_link.entry_details
_item_description.description
;
Any text information relevant to the database entry.
;
_item.name '_subsystem_db_link.entry_details'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__subsystem_db_link.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_db_link.entry_id'
_item.category_id 'subsystem_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__subsystem_db_link.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_db_link.assembly_subsystem_id'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_subsystem_citation
_category.description
;
category description not available
;
_category.id 'subsystem_citation'
loop_
_category_key.name
'_subsystem_citation.citation_id'
'_subsystem_citation.entry_id'
'_subsystem_citation.assembly_subsystem_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__subsystem_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_subsystem_citation.citation_id'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__subsystem_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_subsystem_citation.citation_label'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__subsystem_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_citation.entry_id'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__subsystem_citation.assembly_subsystem_list_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_citation.assembly_subsystem_list_id'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity
_category.description
;
Items in the entity category describe the characteristics of a molecular entity (protein, nucleic acid, polycarbohydrate, cofactor, ligand, inhibitor, etc.)
;
_category.id 'entity'
_category.mandatory_code yes
loop_
_category_key.name
'_entity.entry_id'
'_entity.id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entity.sf_category'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity.sf_framecode
_item_description.description
;
A descriptive label that uniquely identifies this entity from all other
chemically unique entities in the molecular assembly studied.
;
_item.name '_entity.sf_framecode'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
HIV protease polypeptide
;
stop_
_item_type.code 'code'
save_
save__entity.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity.entry_id'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity.id
_item_description.description
;
An integer value that is the unique identifier for the entity within the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity.id' 'entity' yes
'_entry_prerelease_seq.entity_id' 'entry_prerelease_seq' yes
'_entity_assembly.entity_id' 'entity_assembly' yes
'_struct_asym.entity_id' 'struct_asym' yes
'_chem_comp_assembly.entity_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.entity_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.entity_id' 'pdbx_nonpoly_scheme' yes
'_atom.entity_id' 'atom' yes
'_bond.entity_id_1' 'bond' yes
'_bond.entity_id_2' 'bond' yes
'_deleted_atom.entity_id' 'deleted_atom' yes
'_angle.entity_id_1' 'angle' yes
'_angle.entity_id_2' 'angle' yes
'_angle.entity_id_3' 'angle' yes
'_torsion_angle.entity_id_1' 'torsion_angle' yes
'_torsion_angle.entity_id_2' 'torsion_angle' yes
'_torsion_angle.entity_id_3' 'torsion_angle' yes
'_torsion_angle.entity_id_4' 'torsion_angle' yes
'_assembly_segment.entity_id' 'assembly_segment' yes
'_author_annotation.entity_id' 'author_annotation' yes
'_subsystem_component.entity_id' 'subsystem_component' yes
'_entity.parent_entity_id' 'entity' yes
'_entity_db_link.entity_id' 'entity_db_link' yes
'_entity_biological_function.entity_id' 'entity_biological_function' yes
'_entity_common_name.entity_id' 'entity_common_name' yes
'_entity_systematic_name.entity_id' 'entity_systematic_name' yes
'_entity_keyword.entity_id' 'entity_keyword' yes
'_entity_comp_index.entity_id' 'entity_comp_index' yes
'_entity_poly_seq.entity_id' 'entity_poly_seq' yes
'_entity_chimera_segment.entity_id' 'entity_chimera_segment' yes
'_entity_comp_index_alt.entity_id' 'entity_comp_index_alt' yes
'_entity_bond.entity_id' 'entity_bond' yes
'_entity_citation.entity_id' 'entity_citation' yes
'_entity_natural_src.entity_id' 'entity_natural_src' yes
'_natural_source_db.entity_id' 'natural_source_db' yes
'_entity_experimental_src.entity_id' 'entity_experimental_src' yes
'_sample_component.entity_id' 'sample_component' yes
'_sample_component_atom_isotope.entity_id' 'sample_component_atom_isotope' yes
'_entity_purity.entity_id' 'entity_purity' yes
'_atom_chem_shift.entity_id' 'atom_chem_shift' yes
'_coupling_constant.entity_id_1' 'coupling_constant' yes
'_coupling_constant.entity_id_2' 'coupling_constant' yes
'_assigned_peak_chem_shift.entity_id' 'assigned_peak_chem_shift' yes
'_resonance_assignment.entity_id' 'resonance_assignment' yes
'_isotope_effect.entity_id' 'isotope_effect' yes
'_isotope_label_pattern.entity_id' 'isotope_label_pattern' yes
'_mol_interaction_chem_shift.entity_id' 'mol_interaction_chem_shift' yes
'_cs_anisotropy.entity_id' 'cs_anisotropy' yes
'_chem_shielding_tensor.entity_id' 'chem_shielding_tensor' yes
'_theoretical_chem_shift.entity_id' 'theoretical_chem_shift' yes
'_rdc.entity_id_1' 'rdc' yes
'_rdc.entity_id_2' 'rdc' yes
'_dipolar_coupling.entity_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.entity_id_2' 'dipolar_coupling' yes
'_spectral_density.entity_id' 'spectral_density' yes
'_other_data.entity_id' 'other_data' yes
'_h_exch_rate.entity_id' 'h_exch_rate' yes
'_h_exch_protection_factor.entity_id' 'h_exch_protection_factor' yes
'_homonucl_noe.entity_id_1' 'homonucl_noe' yes
'_homonucl_noe.entity_id_2' 'homonucl_noe' yes
'_heteronucl_noe.entity_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.entity_id_2' 'heteronucl_noe' yes
'_t1.entity_id' 't1' yes
'_t1rho.entity_id' 't1rho' yes
'_t2.entity_id' 't2' yes
'_dipole_dipole_relax.entity_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.entity_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_entity_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_entity_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_id_2' 'cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_entity_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_entity_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_id_2' 'cross_correlation_d_csa' yes
'_order_param.entity_id' 'order_param' yes
'_ph_titr_result.atom_observed_entity_id' 'ph_titr_result' yes
'_ph_titr_result.atom_titrated_entity_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.entity_id' 'd_h_fractionation_factor' yes
'_deduced_secd_struct_exptl.entity_id' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.entity_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_entity_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_entity_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.hydrogen_atom_entity_id' 'deduced_h_bond' yes
'_atom_site.label_entity_id' 'atom_site' yes
'_terminal_residue.entity_id' 'terminal_residue' yes
'_rep_conf.entity_id' 'rep_conf' yes
'_angular_order_param.entity_id' 'angular_order_param' yes
'_tertiary_struct.entity_id' 'tertiary_struct' yes
'_secondary_struct.entity_id' 'secondary_struct' yes
'_bond_annotation.entity_id_1' 'bond_annotation' yes
'_bond_annotation.entity_id_2' 'bond_annotation' yes
'_structure_interaction.entity_id_1' 'structure_interaction' yes
'_structure_interaction.entity_id_2' 'structure_interaction' yes
'_other_struct_feature.entity_id' 'other_struct_feature' yes
'_dist_constraint.entity_id' 'dist_constraint' yes
'_floating_chirality.entity_id_1' 'floating_chirality' yes
'_floating_chirality.entity_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.entity_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.entity_id_1' 'rdc_constraint' yes
'_rdc_constraint.entity_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.entity_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.entity_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.entity_id' 'h_chem_shift_constraint' yes
'_other_constraint_list.entity_id' 'other_constraint_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entry_prerelease_seq.entity_id' '_entity.id'
'_entity_assembly.entity_id' '_entity.id'
'_struct_asym.entity_id' '_entity.id'
'_chem_comp_assembly.entity_id' '_entity.id'
'_pdbx_poly_seq_scheme.entity_id' '_entity.id'
'_pdbx_nonpoly_scheme.entity_id' '_entity.id'
'_atom.entity_id' '_entity.id'
'_bond.entity_id_1' '_entity.id'
'_bond.entity_id_2' '_entity.id'
'_deleted_atom.entity_id' '_entity.id'
'_angle.entity_id_1' '_entity.id'
'_angle.entity_id_2' '_entity.id'
'_angle.entity_id_3' '_entity.id'
'_torsion_angle.entity_id_1' '_entity.id'
'_torsion_angle.entity_id_2' '_entity.id'
'_torsion_angle.entity_id_3' '_entity.id'
'_torsion_angle.entity_id_4' '_entity.id'
'_assembly_segment.entity_id' '_entity.id'
'_author_annotation.entity_id' '_entity.id'
'_subsystem_component.entity_id' '_entity.id'
'_entity.parent_entity_id' '_entity.id'
'_entity_db_link.entity_id' '_entity.id'
'_entity_biological_function.entity_id' '_entity.id'
'_entity_common_name.entity_id' '_entity.id'
'_entity_systematic_name.entity_id' '_entity.id'
'_entity_keyword.entity_id' '_entity.id'
'_entity_comp_index.entity_id' '_entity.id'
'_entity_poly_seq.entity_id' '_entity.id'
'_entity_chimera_segment.entity_id' '_entity.id'
'_entity_comp_index_alt.entity_id' '_entity.id'
'_entity_bond.entity_id' '_entity.id'
'_entity_citation.entity_id' '_entity.id'
'_entity_natural_src.entity_id' '_entity.id'
'_natural_source_db.entity_id' '_entity.id'
'_entity_experimental_src.entity_id' '_entity.id'
'_sample_component.entity_id' '_entity.id'
'_sample_component_atom_isotope.entity_id' '_entity.id'
'_entity_purity.entity_id' '_entity.id'
'_atom_chem_shift.entity_id' '_entity.id'
'_coupling_constant.entity_id_1' '_entity.id'
'_coupling_constant.entity_id_2' '_entity.id'
'_assigned_peak_chem_shift.entity_id' '_entity.id'
'_resonance_assignment.entity_id' '_entity.id'
'_isotope_effect.entity_id' '_entity.id'
'_isotope_label_pattern.entity_id' '_entity.id'
'_mol_interaction_chem_shift.entity_id' '_entity.id'
'_cs_anisotropy.entity_id' '_entity.id'
'_chem_shielding_tensor.entity_id' '_entity.id'
'_theoretical_chem_shift.entity_id' '_entity.id'
'_rdc.entity_id_1' '_entity.id'
'_rdc.entity_id_2' '_entity.id'
'_dipolar_coupling.entity_id_1' '_entity.id'
'_dipolar_coupling.entity_id_2' '_entity.id'
'_spectral_density.entity_id' '_entity.id'
'_other_data.entity_id' '_entity.id'
'_h_exch_rate.entity_id' '_entity.id'
'_h_exch_protection_factor.entity_id' '_entity.id'
'_homonucl_noe.entity_id_1' '_entity.id'
'_homonucl_noe.entity_id_2' '_entity.id'
'_heteronucl_noe.entity_id_1' '_entity.id'
'_heteronucl_noe.entity_id_2' '_entity.id'
'_t1.entity_id' '_entity.id'
'_t1rho.entity_id' '_entity.id'
'_t2.entity_id' '_entity.id'
'_dipole_dipole_relax.entity_id_1' '_entity.id'
'_dipole_dipole_relax.entity_id_2' '_entity.id'
'_cross_correlation_dd.dipole_1_entity_id_1' '_entity.id'
'_cross_correlation_dd.dipole_1_entity_id_2' '_entity.id'
'_cross_correlation_dd.dipole_2_entity_id_1' '_entity.id'
'_cross_correlation_dd.dipole_2_entity_id_2' '_entity.id'
'_cross_correlation_d_csa.dipole_entity_id_1' '_entity.id'
'_cross_correlation_d_csa.dipole_entity_id_2' '_entity.id'
'_cross_correlation_d_csa.csa_entity_id_1' '_entity.id'
'_cross_correlation_d_csa.csa_entity_id_2' '_entity.id'
'_order_param.entity_id' '_entity.id'
'_ph_titr_result.atom_observed_entity_id' '_entity.id'
'_ph_titr_result.atom_titrated_entity_id' '_entity.id'
'_d_h_fractionation_factor.entity_id' '_entity.id'
'_deduced_secd_struct_exptl.entity_id' '_entity.id'
'_deduced_secd_struct_feature.entity_id' '_entity.id'
'_deduced_h_bond.heavy_atom_entity_id_1' '_entity.id'
'_deduced_h_bond.heavy_atom_entity_id_2' '_entity.id'
'_deduced_h_bond.hydrogen_atom_entity_id' '_entity.id'
'_atom_site.label_entity_id' '_entity.id'
'_terminal_residue.entity_id' '_entity.id'
'_rep_conf.entity_id' '_entity.id'
'_angular_order_param.entity_id' '_entity.id'
'_tertiary_struct.entity_id' '_entity.id'
'_secondary_struct.entity_id' '_entity.id'
'_bond_annotation.entity_id_1' '_entity.id'
'_bond_annotation.entity_id_2' '_entity.id'
'_structure_interaction.entity_id_1' '_entity.id'
'_structure_interaction.entity_id_2' '_entity.id'
'_other_struct_feature.entity_id' '_entity.id'
'_dist_constraint.entity_id' '_entity.id'
'_floating_chirality.entity_id_1' '_entity.id'
'_floating_chirality.entity_id_2' '_entity.id'
'_torsion_angle_constraint.entity_id_1' '_entity.id'
'_torsion_angle_constraint.entity_id_2' '_entity.id'
'_torsion_angle_constraint.entity_id_3' '_entity.id'
'_torsion_angle_constraint.entity_id_4' '_entity.id'
'_rdc_constraint.entity_id_1' '_entity.id'
'_rdc_constraint.entity_id_2' '_entity.id'
'_j_three_bond_constraint.entity_id_1' '_entity.id'
'_j_three_bond_constraint.entity_id_2' '_entity.id'
'_j_three_bond_constraint.entity_id_3' '_entity.id'
'_j_three_bond_constraint.entity_id_4' '_entity.id'
'_ca_cb_constraint.entity_id_1' '_entity.id'
'_ca_cb_constraint.entity_id_2' '_entity.id'
'_ca_cb_constraint.entity_id_3' '_entity.id'
'_ca_cb_constraint.entity_id_4' '_entity.id'
'_ca_cb_constraint.entity_id_5' '_entity.id'
'_h_chem_shift_constraint.entity_id' '_entity.id'
'_other_constraint_list.entity_id' '_entity.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity.bmrb_code
_item_description.description
;
A code for the entity that uniquely identifies the entity within a library
of entities maintained at BMRB.
;
_item.name '_entity.bmrb_code'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity.name
_item_description.description
;
A brief name commonly used for the entity.
;
_item.name '_entity.name'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity.type
_item_description.description
;
Entities are of two types polymer or non-polymer.
;
_item.name '_entity.type'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
polymer ?
non-polymer ?
water ?
stop_
loop_
_item_examples.case
;
polymer
;
stop_
_item_default.value 'polymer'
_item_type.code 'line'
save_
save__entity.polymer_common_type
_item_description.description
;
A code that indicates the common type of polymer to which the entity belongs.
;
_item.name '_entity.polymer_common_type'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
protein ?
DNA ?
RNA ?
'DNA/RNA hybrid' ?
polysaccharide ?
stop_
loop_
_item_examples.case
;
protein
;
stop_
_item_type.code 'line'
save_
save__entity.polymer_type
_item_description.description
;
Entity polymer types include protein, DNA, RNA, DNA/RNA hybrids, and carbohydrates.
;
_item.name '_entity.polymer_type'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
polypeptide(L) ?
polydeoxyribonucleotide DNA
polyribonucleotide RNA
'DNA/RNA hybrid' ?
polypeptide(D) ?
polysaccharide(D) ?
polysaccharide(L) ?
stop_
loop_
_item_examples.case
;
polypeptide(L)
;
stop_
_item_type.code 'line'
save_
save__entity.polymer_type_details
_item_description.description
;
Additional information about the polymer type.
;
_item.name '_entity.polymer_type_details'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
The polypeptide contains two D-amino acids at positions 6 and 10
;
stop_
_item_type.code 'text'
save_
save__entity.polymer_strand_id
_item_description.description
;
The PDB strand/chain id(s) corresponding to this polymer entity.
;
_item.name '_entity.polymer_strand_id'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
A
;
stop_
_item_type.code 'code'
save_
save__entity.polymer_seq_one_letter_code_can
_item_description.description
;
The sequence of a polymer entity expressed using only the standard one-letter
code for chemical components.
;
_item.name '_entity.polymer_seq_one_letter_code_can'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity.polymer_seq_one_letter_code
_item_description.description
;
The sequence of a polymer entity expressed using the one-letter code for
standard residues and an X for non-standard residues.
;
_item.name '_entity.polymer_seq_one_letter_code'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
AFGCRESWQAKCLPHNMVIXSDF
;
stop_
_item_type.code 'text'
save_
save__entity.target_identifier
_item_description.description
;
?
;
_item.name '_entity.target_identifier'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
356560
;
stop_
_item_type.code 'line'
save_
save__entity.polymer_author_defined_seq
_item_description.description
;
The author may provide a numbering scheme for a biopolymer that is different
from that defined by the public databases. This scheme may contain non-sequential
numbering and the use of alphabetic characters.
;
_item.name '_entity.polymer_author_defined_seq'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
3$K
3a$S
5$A
;
stop_
_item_type.code 'text'
save_
save__entity.polymer_author_seq_details
_item_description.description
;
A text description of the sequence for this entity.
;
_item.name '_entity.polymer_author_seq_details'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
Residues 1-8 represent a non-native affinity tag
This is the cytoplasmic globular domain of a membrane protein
;
stop_
_item_type.code 'text'
save_
save__entity.ambiguous_conformational_states
_item_description.description
;
A boolean flag to indicate the presence of multiple conformational states
for the entity that have not been clearly defined.
;
_item.name '_entity.ambiguous_conformational_states'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
no
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity.ambiguous_chem_comp_sites
_item_description.description
;
A boolean flag that indicates the presence or absence of multiple conformational
states for specific chemical components of the entity.
;
_item.name '_entity.ambiguous_chem_comp_sites'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
no
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity.nstd_monomer
_item_description.description
;
A boolean flag that indicates the presence (N) or absence (Y) of non-standard
chemical components in the entity.
;
_item.name '_entity.nstd_monomer'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity.nstd_chirality
_item_description.description
;
A boolean flag that indicates the presence or absence of non-standard chiral
atoms in the entity.
;
_item.name '_entity.nstd_chirality'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
no
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity.nstd_linkage
_item_description.description
;
A flag indicating the presence or absence of non-standard linkages between
monomers in the biopolymer.
;
_item.name '_entity.nstd_linkage'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
no
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity.nonpolymer_comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity.nonpolymer_comp_id'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity.nonpolymer_comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_entity.nonpolymer_comp_label'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__entity.number_of_monomers
_item_description.description
;
The number of chemical components that make up a polymer entity.
;
_item.name '_entity.number_of_monomers'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
156
;
stop_
_item_type.code 'int'
save_
save__entity.number_of_nonpolymer_components
_item_description.description
;
Non-polymer compounds like ATP or NAD may be comprised of more than one
chemical component. If you want to describe each of the components in the non-polymer
enter the number of components that exist in the non-polymer entity.
;
_item.name '_entity.number_of_nonpolymer_components'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
4
;
stop_
_item_default.value '1'
_item_type.code 'int'
save_
save__entity.paramagnetic
_item_description.description
;
A boolean flag that indicates the paramagnetic state of the entity.
;
_item.name '_entity.paramagnetic'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_default.value 'no'
_item_type.code 'yes_no'
save_
save__entity.thiol_state
_item_description.description
;
A keyword that describes the state of the thiol groups in the entity.
;
_item.name '_entity.thiol_state'
_item.category_id 'entity'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
'all disulfide bound' ?
'all other bound' ?
'all free' ?
'not present' ?
'not available' ?
'free and bound' ?
unknown ?
'not reported' ?
'free and disulfide bound' ?
'free and other bound' ?
'free disulfide and other bound' ?
'disulfide and other bound' ?
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity.src_method
_item_description.description
;
The method by which the sample for the entity was produced. Entities isolated
directly from natural sources (tissues, soil samples, etc.) are expected
to have further information in the entity natural source category. Entities isolated
from genetically manipulated sources are expected to have further information
in the entity experimental source category.
;
_item.name '_entity.src_method'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity.parent_entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity.parent_entity_id'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity.fragment
_item_description.description
;
Entity fragment description(s).
;
_item.name '_entity.fragment'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
replicase operator hairpin
;
stop_
_item_type.code 'text'
save_
save__entity.mutation
_item_description.description
;
Details about any entity mutation(s).
;
_item.name '_entity.mutation'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
C280S
;
stop_
_item_type.code 'text'
save_
save__entity.ec_number
_item_description.description
;
?
;
_item.name '_entity.ec_number'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity.calc_isoelectric_point
_item_description.description
;
The theoretical isoelectric point for the entity.
;
_item.name '_entity.calc_isoelectric_point'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity.formula_weight
_item_description.description
;
Formula mass in daltons of the entity.
;
_item.name '_entity.formula_weight'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity.formula_weight_exptl
_item_description.description
;
Experimentally determined formula weight for the molecular entity.
;
_item.name '_entity.formula_weight_exptl'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity.formula_weight_exptl_meth
_item_description.description
;
Method used to experimentally determine the formula weight for the molecular
entity.
;
_item.name '_entity.formula_weight_exptl_meth'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity.details
_item_description.description
;
Text providing additional details regarding this entity.
;
_item.name '_entity.details'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity.db_query_date
_item_description.description
;
Last date that a query was conducted to locate entries in databases that
are related to this molecular entity.
;
_item.name '_entity.db_query_date'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save__entity.db_query_revised_last_date
_item_description.description
;
Last date that the table of related database entries was last updated.
;
_item.name '_entity.db_query_revised_last_date'
_item.category_id 'entity'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yyyy-mm-dd'
save_
save_entity_db_link
_category.description
;
Items in the entity_db_link provide the names of databases and accession numbers for entries in the databases that are related to a molecular entity and information about the link entry.
;
_category.id 'entity_db_link'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_db_link.database_code'
'_entity_db_link.accession_code'
'_entity_db_link.entry_id'
'_entity_db_link.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_db_link.author_supplied
_item_description.description
;
A code indicating that the link to a related database was provided by an
author (yes) or obtained through another method (no).
;
_item.name '_entity_db_link.author_supplied'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
yes
;
stop_
_item_type.code 'yes_no'
save_
save__entity_db_link.database_code
_item_description.description
;
Code assigned to a database.
;
_item.name '_entity_db_link.database_code'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
PDB 'Protein Data Bank'
BMRB 'BioMagResBank'
SWISS-PROT ?
GenBank ?
PIR ?
DBJ 'Data Bank of Japan'
EMBL ?
GI ?
PRF ?
REF ?
stop_
loop_
_item_examples.case
;
SWS
;
stop_
_item_type.code 'line'
save_
save__entity_db_link.accession_code
_item_description.description
;
Accession code for the entry in the database.
;
_item.name '_entity_db_link.accession_code'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
P09020
;
stop_
_item_type.code 'line'
save_
save__entity_db_link.entry_mol_code
_item_description.description
;
Code assigned by the database to the molecule in the database entry.
;
_item.name '_entity_db_link.entry_mol_code'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_db_link.entry_mol_name
_item_description.description
;
Name of the molecular entity in the database entry.
;
_item.name '_entity_db_link.entry_mol_name'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
Cyt c
;
stop_
_item_type.code 'line'
save_
save__entity_db_link.entry_experimental_method
_item_description.description
;
For structural databases$ the method used to determine the structure.
;
_item.name '_entity_db_link.entry_experimental_method'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
'solution NMR' ?
'solid-state NMR' ?
'X-ray crystallography' ?
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_db_link.entry_structure_resolution
_item_description.description
;
A value taken from the database that is a measure of the quality of the
structure.
;
_item.name '_entity_db_link.entry_structure_resolution'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity_db_link.entry_relation_type
_item_description.description
;
A brief description of how the database entry is related to the molecular
entity.
;
_item.name '_entity_db_link.entry_relation_type'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_db_link.entry_details
_item_description.description
;
Text providing additional information about the matching entry.
;
_item.name '_entity_db_link.entry_details'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity_db_link.chimera_segment
_item_description.description
;
Code indicating if the listed database link is specific to the fragment
of the entity described by the tag '_Entity.Fragment'.
;
_item.name '_entity_db_link.chimera_segment'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_db_link.seq_query_to_submitted_percent
_item_description.description
;
In percent, the ratio of the length of retrieve sequence to the length
of the sequence of the molecular entity. This value can be used to determine if
the retrieved sequence is a subset or superset of the molecular entity.
;
_item.name '_entity_db_link.seq_query_to_submitted_percent'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity_db_link.seq_subject_length
_item_description.description
;
Length of the polymer sequence retrieve from the database.
;
_item.name '_entity_db_link.seq_subject_length'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_db_link.seq_identity
_item_description.description
;
Number of residues in the retrieved sequence that have identical positions
in the molecular entity determined by a homology alignment method.
;
_item.name '_entity_db_link.seq_identity'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity_db_link.seq_positive
_item_description.description
;
Number of residues in the retrieved sequence where the corresponding residue
in the molecular entity sequence has similar physical characteristics (hydrophobicity,
charge, etc.)
;
_item.name '_entity_db_link.seq_positive'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity_db_link.seq_homology_expectation_val
_item_description.description
;
The BLAST expectation value for the homology between the retrieved polymer
and the molecular entity.
;
_item.name '_entity_db_link.seq_homology_expectation_val'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'float'
save_
save__entity_db_link.seq_align_begin
_item_description.description
;
?
;
_item.name '_entity_db_link.seq_align_begin'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
10
;
stop_
_item_type.code 'code'
save_
save__entity_db_link.seq_align_end
_item_description.description
;
?
;
_item.name '_entity_db_link.seq_align_end'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
95
;
stop_
_item_type.code 'code'
save_
save__entity_db_link.seq_difference_details
_item_description.description
;
Text describing the differences in the sequences for the matched polymers.
;
_item.name '_entity_db_link.seq_difference_details'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity_db_link.seq_alignment_details
_item_description.description
;
Text describing the alignment between the matched polymer sequences.
;
_item.name '_entity_db_link.seq_alignment_details'
_item.category_id 'entity_db_link'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity_db_link.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_db_link.entry_id'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_db_link.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_db_link.entity_id'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_biological_function
_category.description
;
Items in the entity_biological_function category describe the biological function of the molecular entity.
;
_category.id 'entity_biological_function'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_biological_function.biological_function'
'_entity_biological_function.entry_id'
'_entity_biological_function.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_biological_function.biological_function
_item_description.description
;
A specific function carried out by the molecular entity in its native biological
system.
;
_item.name '_entity_biological_function.biological_function'
_item.category_id 'entity_biological_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
electron transport; protease; kinase
;
stop_
_item_type.code 'line'
save_
save__entity_biological_function.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_biological_function.entry_id'
_item.category_id 'entity_biological_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_biological_function.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_biological_function.entity_id'
_item.category_id 'entity_biological_function'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_common_name
_category.description
;
Items in the entity_common_name category provide a list of common names for the molecular entity.
;
_category.id 'entity_common_name'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_common_name.name'
'_entity_common_name.entry_id'
'_entity_common_name.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_common_name.name
_item_description.description
;
A name commonly used in the literature to refer to this biopolymer. This
may be a full name or an abbreviation.
;
_item.name '_entity_common_name.name'
_item.category_id 'entity_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
Rnase
;
stop_
_item_type.code 'line'
save_
save__entity_common_name.type
_item_description.description
;
A code defining the type of the common name provided.
;
_item.name '_entity_common_name.type'
_item.category_id 'entity_common_name'
_item.mandatory_code no
loop_
_item_examples.case
;
abbreviation
;
stop_
_item_type.code 'line'
save_
save__entity_common_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_common_name.entry_id'
_item.category_id 'entity_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_common_name.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_common_name.entity_id'
_item.category_id 'entity_common_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_systematic_name
_category.description
;
Items in the entity_systematic_name category provide a list of systematic names for a molecular entity and the systematic naming system.
;
_category.id 'entity_systematic_name'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_systematic_name.naming_system'
'_entity_systematic_name.entry_id'
'_entity_systematic_name.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_systematic_name.name
_item_description.description
;
A name for the biopolymer that has been defined by an official body or
is derived from rules defined by an official organization recognized by the scientific
community.
;
_item.name '_entity_systematic_name.name'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_systematic_name.naming_system
_item_description.description
;
An official method of nomenclature or defined set of nomenclature for biopolymers
recognized by the scientific community.
;
_item.name '_entity_systematic_name.naming_system'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
IUPAC ?
'CAS name' ?
'CAS registry number' ?
BMRB ?
'Three letter code' ?
stop_
loop_
_item_examples.case
;
Enzyme Commission
;
stop_
_item_type.code 'line'
save_
save__entity_systematic_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_systematic_name.entry_id'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_systematic_name.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_systematic_name.entity_id'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_keyword
_category.description
;
Items in the entity_keyword category provide a list of keywords that describe a molecular entity.
;
_category.id 'entity_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_keyword.keyword'
'_entity_keyword.entry_id'
'_entity_keyword.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_keyword.keyword
_item_description.description
;
A single word or very brief phrase that characterizes the molecular entity.
;
_item.name '_entity_keyword.keyword'
_item.category_id 'entity_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_keyword.entry_id'
_item.category_id 'entity_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_keyword.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_keyword.entity_id'
_item.category_id 'entity_keyword'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_comp_index
_category.description
;
Items in the entity_comp_index category provide a consistent numbering system for the moieties (amino acid residues, nucleotides, monosaccharides, or other chemical components) that are linked together through chemical bonds to form either a polymer or a non-polymer entity.
;
_category.id 'entity_comp_index'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_comp_index.id'
'_entity_comp_index.entry_id'
'_entity_comp_index.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_comp_index.id
_item_description.description
;
Unique ID for the compound in the entity
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_comp_index.id' 'entity_comp_index' yes
'_chem_comp_assembly.comp_index_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.comp_index_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.comp_index_id' 'pdbx_nonpoly_scheme' yes
'_atom.comp_index_id' 'atom' yes
'_bond.comp_index_id_1' 'bond' yes
'_bond.comp_index_id_2' 'bond' yes
'_deleted_atom.comp_index_id' 'deleted_atom' yes
'_angle.comp_index_id_1' 'angle' yes
'_angle.comp_index_id_2' 'angle' yes
'_angle.comp_index_id_3' 'angle' yes
'_torsion_angle.comp_index_id_1' 'torsion_angle' yes
'_torsion_angle.comp_index_id_2' 'torsion_angle' yes
'_torsion_angle.comp_index_id_3' 'torsion_angle' yes
'_torsion_angle.comp_index_id_4' 'torsion_angle' yes
'_assembly_segment.comp_index_id' 'assembly_segment' yes
'_author_annotation.comp_index_id' 'author_annotation' yes
'_author_annotation.comp_index_id_start' 'author_annotation' yes
'_author_annotation.comp_index_id_end' 'author_annotation' yes
'_entity_poly_seq.comp_index_id' 'entity_poly_seq' yes
'_entity_chimera_segment.comp_index_id_begin' 'entity_chimera_segment' yes
'_entity_chimera_segment.comp_index_id_end' 'entity_chimera_segment' yes
'_entity_comp_index_alt.entity_comp_index_id' 'entity_comp_index_alt' yes
'_entity_bond.comp_index_id_1' 'entity_bond' yes
'_entity_bond.comp_index_id_2' 'entity_bond' yes
'_sample_component_atom_isotope.comp_index_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.comp_index_id' 'atom_chem_shift' yes
'_coupling_constant.comp_index_id_1' 'coupling_constant' yes
'_coupling_constant.comp_index_id_2' 'coupling_constant' yes
'_assigned_peak_chem_shift.comp_index_id' 'assigned_peak_chem_shift' yes
'_resonance_assignment.comp_index_id' 'resonance_assignment' yes
'_spin_system.comp_index_id' 'spin_system' yes
'_isotope_effect.comp_index_id' 'isotope_effect' yes
'_isotope_label_pattern.comp_index_id' 'isotope_label_pattern' yes
'_mol_interaction_chem_shift.comp_index_id' 'mol_interaction_chem_shift' yes
'_cs_anisotropy.comp_index_id' 'cs_anisotropy' yes
'_chem_shielding_tensor.comp_index_id' 'chem_shielding_tensor' yes
'_theoretical_chem_shift.comp_index_id' 'theoretical_chem_shift' yes
'_rdc.comp_index_id_1' 'rdc' yes
'_rdc.comp_index_id_2' 'rdc' yes
'_dipolar_coupling.comp_index_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.comp_index_id_2' 'dipolar_coupling' yes
'_spectral_density.comp_index_id' 'spectral_density' yes
'_other_data.comp_index_id' 'other_data' yes
'_h_exch_rate.comp_index_id' 'h_exch_rate' yes
'_h_exch_protection_factor.comp_index_id' 'h_exch_protection_factor' yes
'_homonucl_noe.comp_index_id_1' 'homonucl_noe' yes
'_homonucl_noe.comp_index_id_2' 'homonucl_noe' yes
'_heteronucl_noe.comp_index_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.comp_index_id_2' 'heteronucl_noe' yes
'_t1.comp_index_id' 't1' yes
'_t1rho.comp_index_id' 't1rho' yes
'_t2.comp_index_id' 't2' yes
'_dipole_dipole_relax.comp_index_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.comp_index_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_comp_index_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_comp_index_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_comp_index_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_chem_comp_index_id_2' 'cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_comp_index_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_comp_index_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_comp_index_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_comp_index_id_2' 'cross_correlation_d_csa' yes
'_order_param.comp_index_id' 'order_param' yes
'_ph_titr_result.atom_observed_comp_index_id' 'ph_titr_result' yes
'_ph_titr_result.atom_titrated_comp_index_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.comp_index_id' 'd_h_fractionation_factor' yes
'_deduced_secd_struct_exptl.comp_index_id_start' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_exptl.comp_index_id_end' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.comp_index_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_comp_index_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_comp_index_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.hydrogen_atom_comp_index_id' 'deduced_h_bond' yes
'_atom_site.label_comp_index_id' 'atom_site' yes
'_terminal_residue.comp_index_id' 'terminal_residue' yes
'_rep_conf.comp_index_id' 'rep_conf' yes
'_angular_order_param.comp_index_id' 'angular_order_param' yes
'_tertiary_struct.comp_index_id' 'tertiary_struct' yes
'_secondary_struct.comp_index_id_start' 'secondary_struct' yes
'_secondary_struct.comp_index_id_end' 'secondary_struct' yes
'_bond_annotation.comp_index_id_1' 'bond_annotation' yes
'_bond_annotation.comp_index_id_2' 'bond_annotation' yes
'_structure_interaction.comp_index_id_1' 'structure_interaction' yes
'_structure_interaction.comp_index_id_2' 'structure_interaction' yes
'_dist_constraint.comp_index_id' 'dist_constraint' yes
'_floating_chirality.comp_index_id_1' 'floating_chirality' yes
'_floating_chirality.comp_index_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.comp_index_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_index_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_index_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_index_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.comp_index_id_1' 'rdc_constraint' yes
'_rdc_constraint.comp_index_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.comp_index_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_index_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_index_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_index_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.comp_index_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.comp_index_id' 'h_chem_shift_constraint' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_chem_comp_assembly.comp_index_id' '_entity_comp_index.id'
'_pdbx_poly_seq_scheme.comp_index_id' '_entity_comp_index.id'
'_pdbx_nonpoly_scheme.comp_index_id' '_entity_comp_index.id'
'_atom.comp_index_id' '_entity_comp_index.id'
'_bond.comp_index_id_1' '_entity_comp_index.id'
'_bond.comp_index_id_2' '_entity_comp_index.id'
'_deleted_atom.comp_index_id' '_entity_comp_index.id'
'_angle.comp_index_id_1' '_entity_comp_index.id'
'_angle.comp_index_id_2' '_entity_comp_index.id'
'_angle.comp_index_id_3' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_1' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_2' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_3' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_4' '_entity_comp_index.id'
'_assembly_segment.comp_index_id' '_entity_comp_index.id'
'_author_annotation.comp_index_id' '_entity_comp_index.id'
'_author_annotation.comp_index_id_start' '_entity_comp_index.id'
'_author_annotation.comp_index_id_end' '_entity_comp_index.id'
'_entity_poly_seq.comp_index_id' '_entity_comp_index.id'
'_entity_chimera_segment.comp_index_id_begin' '_entity_comp_index.id'
'_entity_chimera_segment.comp_index_id_end' '_entity_comp_index.id'
'_entity_comp_index_alt.entity_comp_index_id' '_entity_comp_index.id'
'_entity_bond.comp_index_id_1' '_entity_comp_index.id'
'_entity_bond.comp_index_id_2' '_entity_comp_index.id'
'_sample_component_atom_isotope.comp_index_id' '_entity_comp_index.id'
'_atom_chem_shift.comp_index_id' '_entity_comp_index.id'
'_coupling_constant.comp_index_id_1' '_entity_comp_index.id'
'_coupling_constant.comp_index_id_2' '_entity_comp_index.id'
'_assigned_peak_chem_shift.comp_index_id' '_entity_comp_index.id'
'_resonance_assignment.comp_index_id' '_entity_comp_index.id'
'_spin_system.comp_index_id' '_entity_comp_index.id'
'_isotope_effect.comp_index_id' '_entity_comp_index.id'
'_isotope_label_pattern.comp_index_id' '_entity_comp_index.id'
'_mol_interaction_chem_shift.comp_index_id' '_entity_comp_index.id'
'_cs_anisotropy.comp_index_id' '_entity_comp_index.id'
'_chem_shielding_tensor.comp_index_id' '_entity_comp_index.id'
'_theoretical_chem_shift.comp_index_id' '_entity_comp_index.id'
'_rdc.comp_index_id_1' '_entity_comp_index.id'
'_rdc.comp_index_id_2' '_entity_comp_index.id'
'_dipolar_coupling.comp_index_id_1' '_entity_comp_index.id'
'_dipolar_coupling.comp_index_id_2' '_entity_comp_index.id'
'_spectral_density.comp_index_id' '_entity_comp_index.id'
'_other_data.comp_index_id' '_entity_comp_index.id'
'_h_exch_rate.comp_index_id' '_entity_comp_index.id'
'_h_exch_protection_factor.comp_index_id' '_entity_comp_index.id'
'_homonucl_noe.comp_index_id_1' '_entity_comp_index.id'
'_homonucl_noe.comp_index_id_2' '_entity_comp_index.id'
'_heteronucl_noe.comp_index_id_1' '_entity_comp_index.id'
'_heteronucl_noe.comp_index_id_2' '_entity_comp_index.id'
'_t1.comp_index_id' '_entity_comp_index.id'
'_t1rho.comp_index_id' '_entity_comp_index.id'
'_t2.comp_index_id' '_entity_comp_index.id'
'_dipole_dipole_relax.comp_index_id_1' '_entity_comp_index.id'
'_dipole_dipole_relax.comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_1_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_1_comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_2_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_2_chem_comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_d_csa.dipole_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_d_csa.dipole_comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_d_csa.csa_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_d_csa.csa_comp_index_id_2' '_entity_comp_index.id'
'_order_param.comp_index_id' '_entity_comp_index.id'
'_ph_titr_result.atom_observed_comp_index_id' '_entity_comp_index.id'
'_ph_titr_result.atom_titrated_comp_index_id' '_entity_comp_index.id'
'_d_h_fractionation_factor.comp_index_id' '_entity_comp_index.id'
'_deduced_secd_struct_exptl.comp_index_id_start' '_entity_comp_index.id'
'_deduced_secd_struct_exptl.comp_index_id_end' '_entity_comp_index.id'
'_deduced_secd_struct_feature.comp_index_id' '_entity_comp_index.id'
'_deduced_h_bond.heavy_atom_comp_index_id_1' '_entity_comp_index.id'
'_deduced_h_bond.heavy_atom_comp_index_id_2' '_entity_comp_index.id'
'_deduced_h_bond.hydrogen_atom_comp_index_id' '_entity_comp_index.id'
'_atom_site.label_comp_index_id' '_entity_comp_index.id'
'_terminal_residue.comp_index_id' '_entity_comp_index.id'
'_rep_conf.comp_index_id' '_entity_comp_index.id'
'_angular_order_param.comp_index_id' '_entity_comp_index.id'
'_tertiary_struct.comp_index_id' '_entity_comp_index.id'
'_secondary_struct.comp_index_id_start' '_entity_comp_index.id'
'_secondary_struct.comp_index_id_end' '_entity_comp_index.id'
'_bond_annotation.comp_index_id_1' '_entity_comp_index.id'
'_bond_annotation.comp_index_id_2' '_entity_comp_index.id'
'_structure_interaction.comp_index_id_1' '_entity_comp_index.id'
'_structure_interaction.comp_index_id_2' '_entity_comp_index.id'
'_dist_constraint.comp_index_id' '_entity_comp_index.id'
'_floating_chirality.comp_index_id_1' '_entity_comp_index.id'
'_floating_chirality.comp_index_id_2' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_1' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_2' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_3' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_4' '_entity_comp_index.id'
'_rdc_constraint.comp_index_id_1' '_entity_comp_index.id'
'_rdc_constraint.comp_index_id_2' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_1' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_2' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_3' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_4' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_1' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_2' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_3' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_4' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_5' '_entity_comp_index.id'
'_h_chem_shift_constraint.comp_index_id' '_entity_comp_index.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_comp_index.auth_seq_id
_item_description.description
;
Author supplied sequence number identifying the position in the sequence
of the polymer where the alternate residue or chemical compound is located.
;
_item.name '_entity_comp_index.auth_seq_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_comp_index.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_comp_index.comp_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_comp_index.comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_entity_comp_index.comp_label'
_item.category_id 'entity_comp_index'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__entity_comp_index.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_comp_index.entry_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_comp_index.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_comp_index.entity_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_poly_seq
_category.description
;
category description not available
;
_category.id 'entity_poly_seq'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_poly_seq.num'
'_entity_poly_seq.entry_id'
'_entity_poly_seq.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_poly_seq.hetero
_item_description.description
;
A flag to indicate whether this monomer in the polymer is heterogeneous
in sequence. This would be rare.
;
_item.name '_entity_poly_seq.hetero'
_item.category_id 'entity_poly_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_poly_seq.mon_id
_item_description.description
;
This data item is a pointer to '_Chem_comp.ID' in the chem_comp category.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_poly_seq.mon_id' 'entity_poly_seq' no
'_pdbx_poly_seq_scheme.mon_id' 'pdbx_poly_seq_scheme' no
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_pdbx_poly_seq_scheme.mon_id' '_entity_poly_seq.mon_id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_poly_seq.num
_item_description.description
;
The value of '_Entity_poly_seq.Num must uniquely and sequentially identify
a record in the Entiy_poly_seq list. Note that this item must be a number and
that the sequence numbers must progress in increasing numerical order.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_poly_seq.num' 'entity_poly_seq' no
'_pdbx_poly_seq_scheme.seq_id' 'pdbx_poly_seq_scheme' no
'_atom_site.label_seq_id' 'atom_site' no
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_pdbx_poly_seq_scheme.seq_id' '_entity_poly_seq.num'
'_atom_site.label_seq_id' '_entity_poly_seq.num'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_poly_seq.comp_index_id
_item_description.description
;
?
;
_item.name '_entity_poly_seq.comp_index_id'
_item.category_id 'entity_poly_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_poly_seq.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_poly_seq.entry_id'
_item.category_id 'entity_poly_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_poly_seq.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_poly_seq.entity_id'
_item.category_id 'entity_poly_seq'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_chimera_segment
_category.description
;
category description not available
;
_category.id 'entity_chimera_segment'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_chimera_segment.id'
'_entity_chimera_segment.entry_id'
'_entity_chimera_segment.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_chimera_segment.id
_item_description.description
;
The value of _Entity_fragment.id must uniquely identify a record in the
Entity_fragment list.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_chimera_segment.id' 'entity_chimera_segment' yes
'_entity_natural_src.entity_chimera_segment_id' 'entity_natural_src' yes
'_natural_source_db.entity_chimera_segment_id' 'natural_source_db' yes
'_entity_experimental_src.entity_chimera_segment_id' 'entity_experimental_src' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_natural_src.entity_chimera_segment_id' '_entity_chimera_segment.id'
'_natural_source_db.entity_chimera_segment_id' '_entity_chimera_segment.id'
'_entity_experimental_src.entity_chimera_segment_id' '_entity_chimera_segment.id'
stop_
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save__entity_chimera_segment.comp_index_id_begin
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_chimera_segment.comp_index_id_begin'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_chimera_segment.comp_index_id_end
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_chimera_segment.comp_index_id_end'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_chimera_segment.seq_id_begin
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_entity_chimera_segment.seq_id_begin'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
25
;
stop_
_item_type.code 'int'
save_
save__entity_chimera_segment.seq_id_end
_item_description.description
;
Pointer to '_Entity_poly_seq_scheme.Seq_ID'
;
_item.name '_entity_chimera_segment.seq_id_end'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
78
;
stop_
_item_type.code 'int'
save_
save__entity_chimera_segment.details
_item_description.description
;
Text providing additional information about the fragment from the molecular
entity.
;
_item.name '_entity_chimera_segment.details'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity_chimera_segment.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_chimera_segment.entry_id'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_chimera_segment.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_chimera_segment.entity_id'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_comp_index_alt
_category.description
;
category description not available
;
_category.id 'entity_comp_index_alt'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_comp_index_alt.entity_comp_index_id'
'_entity_comp_index_alt.comp_id'
'_entity_comp_index_alt.entry_id'
'_entity_comp_index_alt.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_comp_index_alt.entity_comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_comp_index_alt.entity_comp_index_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
loop_
_item_examples.case
;
35
;
stop_
_item_type.code 'int'
save_
save__entity_comp_index_alt.auth_seq_id
_item_description.description
;
Author supplied sequence number identifying the position in the sequence
of the polymer where the alternate residue or chemical compound is located.
;
_item.name '_entity_comp_index_alt.auth_seq_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code no
loop_
_item_examples.case
;
27
;
stop_
_item_type.code 'code'
save_
save__entity_comp_index_alt.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_comp_index_alt.comp_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
loop_
_item_examples.case
;
ALA
;
stop_
_item_type.code 'code'
save_
save__entity_comp_index_alt.comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_entity_comp_index_alt.comp_label'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
loop_
_item_examples.case
;
ALA
;
stop_
_item_type.code 'label'
save_
save__entity_comp_index_alt.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_comp_index_alt.entry_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
loop_
_item_examples.case
;
6021
;
stop_
_item_type.code 'code'
save_
save__entity_comp_index_alt.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_comp_index_alt.entity_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
loop_
_item_examples.case
;
1
;
stop_
_item_type.code 'int'
save_
save_entity_bond
_category.description
;
Items in the entity_bond category define chemical bonds that are unique to the entity.
;
_category.id 'entity_bond'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_bond.id'
'_entity_bond.entry_id'
'_entity_bond.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_bond.id
_item_description.description
;
The value of _Entity_bond.id must uniquely identify a record in the Entity_bond
list.
;
_item.name '_entity_bond.id'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_bond.type
_item_description.description
;
A common chemical bond descriptive name.
;
_item.name '_entity_bond.type'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_bond.value_order
_item_description.description
;
The value that should be taken as the target for the chemical bond associated
with the specified atoms expressed as a bond order.
;
_item.name '_entity_bond.value_order'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_bond.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_bond.comp_index_id_1'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_bond.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_bond.comp_id_1'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_bond.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_entity_bond.atom_id_1'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__entity_bond.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_bond.comp_index_id_2'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_bond.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_bond.comp_id_2'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_bond.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_entity_bond.atom_id_2'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'atcode'
save_
save__entity_bond.details
_item_description.description
;
A text description of the bond.
;
_item.name '_entity_bond.details'
_item.category_id 'entity_bond'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity_bond.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_bond.entry_id'
_item.category_id 'entity_bond'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_bond.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_bond.entity_id'
_item.category_id 'entity_bond'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_citation
_category.description
;
Items in the entity_citation category provide pointers to citations saveframes where citations that describe the entity are defined.
;
_category.id 'entity_citation'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_citation.citation_id'
'_entity_citation.entry_id'
'_entity_citation.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_entity_citation.citation_id'
_item.category_id 'entity_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_entity_citation.citation_label'
_item.category_id 'entity_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
citation 1
;
stop_
_item_type.code 'label'
save_
save__entity_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_citation.entry_id'
_item.category_id 'entity_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_citation.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_citation.entity_id'
_item.category_id 'entity_citation'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_natural_src_list
_category.description
;
Items in the entity_natural_src_list category define an entity natural source saveframe.
;
_category.id 'entity_natural_src_list'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_natural_src_list.entry_id'
'_entity_natural_src_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'natural_source'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_natural_src_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entity_natural_src_list.sf_category'
_item.category_id 'entity_natural_src_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_natural_src_list.sf_framecode
_item_description.description
;
Framecode for the save frame where the natural sources for each entity
are listed.
;
_item.name '_entity_natural_src_list.sf_framecode'
_item.category_id 'entity_natural_src_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_natural_src_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'.
;
_item.name '_entity_natural_src_list.entry_id'
_item.category_id 'entity_natural_src_list'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_natural_src_list.id
_item_description.description
;
An integer value that is the unique identifier for saveframes of the type
'natural_source'.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_natural_src_list.id' 'entity_natural_src_list' yes
'_entity_natural_src.entity_natural_src_list_id' 'entity_natural_src' yes
'_natural_source_db.entity_natural_src_list_id' 'natural_source_db' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_natural_src.entity_natural_src_list_id' '_entity_natural_src_list.id'
'_natural_source_db.entity_natural_src_list_id' '_entity_natural_src_list.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_entity_natural_src
_category.description
;
Items in the entity_natural_src category describe the organism, virus, or other naturally occuring object that is the original source for a molecular entity or a major portion of a molecular entity.
;
_category.id 'entity_natural_src'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_natural_src.id'
'_entity_natural_src.entry_id'
'_entity_natural_src.entity_natural_src_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'natural_source'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__entity_natural_src.id
_item_description.description
;
An integer value that uniquely identifies the natural source provided.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_natural_src.id' 'entity_natural_src' yes
'_natural_source_db.entity_natural_src_id' 'natural_source_db' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_natural_source_db.entity_natural_src_id' '_entity_natural_src.id'
stop_
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_natural_src.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_natural_src.entity_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_natural_src.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity.' This is the label assigned
to the molecular entity by the author when completing the molecular entity
portion of the deposition.
;
_item.name '_entity_natural_src.entity_label'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
lysozyme
;
stop_
_item_type.code 'label'
save_
save__entity_natural_src.entity_chimera_segment_id
_item_description.description
;
Pointer to '_Entity_fragment.ID'
;
_item.name '_entity_natural_src.entity_chimera_segment_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_natural_src.ncbi_taxonomy_id
_item_description.description
;
NCBI taxonomy ID
;
_item.name '_entity_natural_src.ncbi_taxonomy_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
9606
;
stop_
_item_type.code 'code'
save_
save__entity_natural_src.type
_item_description.description
;
The molecular entity or biopolymer has no natural source.
;
_item.name '_entity_natural_src.type'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
? ?
stop_
loop_
_item_examples.case
;
organism
;
stop_
_item_default.value 'organism'
_item_type.code 'line'
save_
save__entity_natural_src.common
_item_description.description
;
The molecular entity of biopolymer is common to more than one natural source.
;
_item.name '_entity_natural_src.common'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'yes_no'
save_
save__entity_natural_src.organism_name_scientific
_item_description.description
;
Scientific name for the organism. Usually a combination of the genus and
species for the organism.
;
_item.name '_entity_natural_src.organism_name_scientific'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
? ?
stop_
loop_
_item_examples.case
;
Homo sapiens
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.organism_name_common
_item_description.description
;
Common name used for the biological organism.
;
_item.name '_entity_natural_src.organism_name_common'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
baker's yeast
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.organism_acronym
_item_description.description
;
A common acronym used to identify the organism.
;
_item.name '_entity_natural_src.organism_acronym'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.ictvdb_decimal_code
_item_description.description
;
ICTV database decimal code for a virus
;
_item.name '_entity_natural_src.ictvdb_decimal_code'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.superkingdom
_item_description.description
;
Scientific superkingdom classification for an organism as defined by NCBI
taxonomists.
;
_item.name '_entity_natural_src.superkingdom'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
Archaea ?
Eubacteria prokaryotes
Eukaryota ?
Viroid ?
Viruses ?
Other ?
Unclassified ?
stop_
loop_
_item_examples.case
;
Eukaryota
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.kingdom
_item_description.description
;
Kingdom classifications for an organism as defined by NCBI taxonomists.
;
_item.name '_entity_natural_src.kingdom'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_enumeration.value
_item_enumeration.detail
Metazoa ?
Fungi ?
Viridiplantae ?
Protista ?
'Not applicable' ?
stop_
loop_
_item_examples.case
;
Metazoa
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.genus
_item_description.description
;
Genus for the natural organism
;
_item.name '_entity_natural_src.genus'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
Saccharomyces
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.species
_item_description.description
;
Scientific name for the species of the organism as defined by NCBI taxonomists
whenever possible.
;
_item.name '_entity_natural_src.species'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
cerevisiae
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.strain
_item_description.description
;
The scientific name for the strain of an organism.
;
_item.name '_entity_natural_src.strain'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
gm3c2
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.variant
_item_description.description
;
Name used to classify the variant of an organism.
;
_item.name '_entity_natural_src.variant'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
BRU isolate
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.subvariant
_item_description.description
;
Name used to define a subvariant of an organism.
;
_item.name '_entity_natural_src.subvariant'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.organ
_item_description.description
;
The organ of a higher organism where the biopolymer is found in nature.
;
_item.name '_entity_natural_src.organ'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
brain ?
heart ?
intestine ?
kidney ?
liver ?
lung ?
pancreas ?
skin ?
testicle ?
stop_
loop_
_item_examples.case
;
pancreas
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.tissue
_item_description.description
;
The tissue from an organism that is the natural or experimental source
of the molecule.
;
_item.name '_entity_natural_src.tissue'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
skin ?
stop_
loop_
_item_examples.case
;
muscle
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.tissue_fraction
_item_description.description
;
The fraction of the tissue that was used as the source of the molecular entity.
;
_item.name '_entity_natural_src.tissue_fraction'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.cell_line
_item_description.description
;
Name the specific line of cells used in the experiment.
;
_item.name '_entity_natural_src.cell_line'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
4-4-20 murine-murine hybridoma
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.cell_type
_item_description.description
;
Identify the particular kind of cell.
;
_item.name '_entity_natural_src.cell_type'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
B-lymphocyte
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.atcc_number
_item_description.description
;
Organism culture number defined in the American Type Culture Collection.
;
_item.name '_entity_natural_src.atcc_number'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
27355
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.organelle
_item_description.description
;
Organized structure within a cell.
;
_item.name '_entity_natural_src.organelle'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
chloroplast ?
'endoplamic reticulum' ?
golgi ?
mitochondria ?
nucleus ?
stop_
loop_
_item_examples.case
;
mitochondria
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.cellular_location
_item_description.description
;
The cellular location where the molecular entity is found with in the natural
source for the molecular entity.
;
_item.name '_entity_natural_src.cellular_location'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
cytoplasm
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.fragment
_item_description.description
;
A domain or fragment of the molecule.
;
_item.name '_entity_natural_src.fragment'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.fraction
_item_description.description
;
Indicate cellular location here such as cytoplasm periplasm extracellular etc.
;
_item.name '_entity_natural_src.fraction'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
cytoplasm
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.secretion
_item_description.description
;
If the molecule was isolated from a particular secretion such as saliva
urine or venom this is stated here.
;
_item.name '_entity_natural_src.secretion'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_enumeration.value
_item_enumeration.detail
saliva ?
semen ?
'vaginal fluid' ?
venom ?
stop_
loop_
_item_examples.case
;
venom
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.plasmid
_item_description.description
;
The name for a plasmid that naturally contains the gene for the biopolymer.
;
_item.name '_entity_natural_src.plasmid'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
PPED5-399
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.plasmid_details
_item_description.description
;
Text details describing the plasmid that is the natural source for the
molecular entity.
;
_item.name '_entity_natural_src.plasmid_details'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity_natural_src.gene_mnemonic
_item_description.description
;
Name of the gene that is the source of the biopolymer
;
_item.name '_entity_natural_src.gene_mnemonic'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
tmoC
;
stop_
_item_type.code 'line'
save_
save__entity_natural_src.dev_stage
_item_description.description
;
For molecular entities that are present in an organism only at a define
stage in the development of the organism, the stage they are present.
;
_item.name '_entity_natural_src.dev_stage'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'text'
save_
save__entity_natural_src.details
_item_description.description
;
Give any other remarks or comments on the biological source which may be
relevant.
;
_item.name '_entity_natural_src.details'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
German collection of microorganisms (DSM)
;
stop_
_item_type.code 'text'
save_
save__entity_natural_src.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_entity_natural_src.citation_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__entity_natural_src.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_entity_natural_src.citation_label'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__entity_natural_src.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_natural_src.entry_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'code'
save_
save__entity_natural_src.entity_natural_src_list_id
_item_description.description
;
Pointer to '_Entity_natural_src_list.ID'
;
_item.name '_entity_natural_src.entity_natural_src_list_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save_natural_source_db
_category.description
;
Items in the natural_source_db category define links to databases that contain information about the organisms and entities that are the natural source for molecular entities.
;
_category.id 'natural_source_db'
_category.mandatory_code yes
loop_
_category_key.name
'_natural_source_db.entity_natural_src_id'
'_natural_source_db.database_code'
'_natural_source_db.entry_code'
'_natural_source_db.entry_id'
'_natural_source_db.entity_natural_src_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'natural_source'
stop_
loop_
_category_examples.detail
_category_examples.case
;
?
;
;
?
;
stop_
save_
save__natural_source_db.entity_natural_src_id
_item_description.description
;
Pointer to '_Entity_natural_src.ID'
;
_item.name '_natural_source_db.entity_natural_src_id'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__natural_source_db.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_natural_source_db.entity_id'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'int'
save_
save__natural_source_db.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_natural_source_db.entity_label'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
loop_
_item_examples.case
;
?
;
stop_
_item_type.code 'label'
save_
save__natural_source_db.entity_chimera_segment_id
_item_description.description
;
Pointer to '_Entity_fragment.ID'
;
_item.name '_natural_source_db.entity_chimera_se