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Tag category Theoretical_chem_shift

Key tags (columns):

Tags in table Theoretical_chem_shift:

TagDescriptiondata typeMandatory
Assembly_atom_IDPointer to '_Atom.Assembly_atom_ID'int 
Atom_IDPointer to '_Chem_comp_atom.Atom_ID'atcodeyes
Atom_isotope_numberThe mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags.int 
Atom_typeThe value for this tag is a standard IUPAC abbreviation for an element (i.e. H C P etc).codeyes
Auth_asym_IDAn alternative identifier for Asym_ID provided by the author.code 
Auth_atom_IDAn 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.code 
Auth_comp_IDAn 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.code 
Auth_entity_assembly_IDAn alternative identifier for Entity_assembly_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 tocode 
Auth_seq_IDAn 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 focode 
Comp_IDPointer to '_Chem_comp.ID'codeyes
Comp_index_IDPointer to '_Entity_comp_index.ID'intyes
Entity_assembly_IDPointer to '_Entity_assembly.ID'intyes
Entity_IDPointer to '_Entity.ID'intyes
Entry_IDPointer to '_Entry.ID'codeyes
Fermi_contact_spin_densityFermi contact spin densityfloat 
IDUnique identifier for the calculated chemical shift value.intyes
Seq_IDPointer to '_Entity_poly_seq.Num'int 
Sf_IDPointer to '_Theoretical_chem_shift_list.Sf_ID'intyes
Theoretical_chem_shift_list_IDPointer to '_Theoretical_chem_shift_list.ID'intyes
ValChem shift valfloatyes
Val_errChem shift val errfloat