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Category Groups in Dictionary mmcif_nmr-star.dic

angular_order_parameters: Categories that capture a set of angular order parameters calculated from a family of conformers.
assembly: Categories that describe a molecular assembly.
assembly_annotation: Categories that provide annotations for a molecular assembly.
assembly_subsystems: Categories that describe subsystems of a molecular assembly.
assigned_chemical_shifts: 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.
bond_annotation: Categories that capture annotations for the bonds found in the conformers calculated for a biomolecular system.
ca_cb_chem_shift_constraints: Categories that capture the protein CA and CB chemical shift constraints used to calculate one or more conformers for a biomolecular system.
chem_comp: Categories that describe chemical components of entities and molecular assemblies.
chem_shielding_tensors: Categories that describe the chemical shielding tensors for a theoretical chemical shift calculation.
chem_shift_anisotropy: 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.
chem_shift_interaction_diff: 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_isotope_effect: 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_reference: Categories that capture information about the compounds and parameters used to reference NMR chemical shifts.
chem_shifts_calc_type: Categories that define the type of calculation used to generate a list of theoretical chemical shifts for a molecule.
citations: Categories that provide bibliographic references.
computer: Categories that describe a computer.
conformer_family_coord_set: 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.
conformer_statistics: Categories that capture statistics derived from the three-dimensional conformers calculated for a biomolecule.
constraint_statistics: Categories that capture statistics derived from the constraints used to calculate the three-dimension conformers for a biomolecule and the constraint violations.
coupling_constants: 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.
d_h_fractionation_factors: 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_hydrogen_bonds: 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.
deduced_secd_struct_features: 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.
deposited_data_files: Categories that capture information about the data files that are uploaded for depositions.
dipolar_couplings: Categories that capture dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
dipole_csa_cross_correlations: 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.
dipole_dipole_cross_correlations: 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_dipole_relaxation: 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.
distance_constraints: Categories that capture the distance constraints used to calculate one or more conformers for a biomolecular system.
entity: Categories that describe the polymer and non-polymer molecules that make up a molecular assembly.
entry_information: Categories that describe an entry.
entry_interview: Categories that record an overview of the information to be deposited by an author.
experiment_list: Categories that record the details about the experiments performed.
experimental_source: Categories that describe the system used to produce a molecular entity for scientific experiments.
floating_chiral_stereo_assign: Categories that capture the floating chirality stereo assignments used in calculating the conformers for a biomolecular system.
force_constants: Categories that describe the values for the force constants used in calculating a family of conformers for a biomolecular system.
h_chem_shift_constraints: Categories that capture the proton chemical shift constraints used to calculate one or more conformers for a biomolecular system.
h_exch_protection_factors: 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.
h_exch_rates: 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.
heteronucl_noes: 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: 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: 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: 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.
homonucl_noes: Categories that capture homonuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
inclusive_group: Categories that belong to the NMR-STAR dictionary.
j_three_bond_constraints: Categories that capture the three bond scalar coupling constraints used to calculate one or more conformers for a biomolecular system.
method: Categories that describe software or physical methods used to produce a product.
molecule_purity: Categories that describe the measured purity of the molecular entity.
natural_source: Categories that describe the organism or other body found in nature that produces a molecular entity.
nmr_spectral_processing: Categories that describe how the data from an NMR spectrometer experiment has been processed.
nmr_spectrometer: Categories that describe an NMR spectrometer.
nmr_spectrometer_expt: Categories that describe an NMR spectrometer experiment in detail.
nmr_spectrometer_expt_list: Categories that define a list of NMR spectrometer experiments.
nmr_spectrometer_list: Categories that define a list of NMR spectrometers and their properties.
nmr_spectrometer_probe: Categories that describe an NMR spectrometer probe.
order_parameters: Categories that capture order parameter values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
other_constraints: 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.
other_data_types: 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.
other_struct_features: Categories that provide a means for describing other structure features not specifically defined in other category groups.
ph_param_list: Categories that capture the NMR spectral parameters derived from a pH titration experiment.
ph_titration: Categories that capture the pKa or pHmid values derived from a pH titration experiment and links to the experimental details.
rdc_constraints: Categories that capture the residual dipolar coupling constraints used to calculate one or more conformers for a biomolecular system.
rdcs: 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.
representative_conformer: 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.
sample: Categories that describe the contents and other details about the samples used in scientific experiments.
sample_conditions: Categories that describe the experimental conditions used in conducting individual scientific experiments.
secondary_structs: Categories that describe the secondary structure elements found in the conformers calculated for a biomolecular system.
software: Categories that describe computer software.
spectral_density_values: Categories that capture spectral density values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
spectral_peak_list: Categories that capture the properties of NMR spectral peaks, spectral parameters, and links to the NMR experiments and other information regarding the data.
structure_interactions: Categories that describe the interactions between molecules in a biomolecular system that have been found through the analysis of the calculated conformers.
study_list: Categories that describe a study of a molecular system that includes data from one or more entries.
tertiary_struct_elements: Categories that describe the tertiary structure elements found in the conformers calculated for a biomolecular system.
theoretical_chem_shifts: 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.
torsion_angle_constraints: Categories that capture the torsion angle distance constraints used to calculate one or more conformers for a biomolecular system.
value_derivation: ?


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