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Category theoretical_chem_shift

Category Description


Items in the theoretical_chem_shift category describe the theoretical chemical shift values calculated for specific atoms in a molecular assembly.

Item Name	Mandatory Code
_theoretical_chem_shift.assembly_atom_id	yes
_theoretical_chem_shift.atom_id	yes
_theoretical_chem_shift.atom_type	yes
_theoretical_chem_shift.auth_atom_id	no
_theoretical_chem_shift.auth_comp_id	no
_theoretical_chem_shift.auth_seq_id	no
_theoretical_chem_shift.comp_id	yes
_theoretical_chem_shift.comp_index_id	yes
_theoretical_chem_shift.entity_assembly_id	yes
_theoretical_chem_shift.entity_id	yes
_theoretical_chem_shift.entry_id	yes
_theoretical_chem_shift.fermi_contact_spin_density	no
_theoretical_chem_shift.id	yes
_theoretical_chem_shift.seq_id	yes
_theoretical_chem_shift.theoretical_chem_shift_list_id	yes
_theoretical_chem_shift.val	yes
_theoretical_chem_shift.val_err	no