Tag category Theoretical_coupling_constant
Key tags (columns):
Tags in table Theoretical_coupling_constant:
| Tag | Description | data type | Mandatory |
|---|---|---|---|
| Ambiguity_code_1 | A code indicating the presence of ambiguity in the assignment of the atom to the coupling constant value. This type of ambiguity can arise for geminal groups like the glycine alpha protons and other methylene groups. | code | |
| Ambiguity_code_2 | A code indicating the presence of ambiguity in the assignment of the atom to the coupling constant value. This type of ambiguity can arise for geminal groups like the glycine alpha protons and other methylene groups. | code | |
| Assembly_atom_ID_1 | Pointer to '_Atom.Assembly_atom_ID' | int | |
| Assembly_atom_ID_2 | Pointer to '_Atom.Assembly_atom_ID' | int | |
| Atom_ID_1 | Pointer to '_Chem_comp_atom.Atom_ID' | atcode | yes |
| Atom_ID_2 | Pointer to '_Chem_comp_atom.Atom_ID' | atcode | yes |
| Atom_isotope_number_1 | The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. | int | |
| Atom_isotope_number_2 | The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. | int | |
| Atom_type_1 | Standard symbol used to define the atom element type. | code | yes |
| Atom_type_2 | Standard symbol used to define the atom element type. | code | yes |
| Auth_atom_ID_1 | 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. | code | |
| Auth_atom_ID_2 | 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. | code | |
| Auth_comp_ID_1 | 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. | code | |
| Auth_comp_ID_2 | 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. | code | |
| Auth_entity_assembly_ID_1 | An 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 to | code | |
| Auth_entity_assembly_ID_2 | An 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 to | code | |
| Auth_seq_ID_1 | 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 fo | code | |
| Auth_seq_ID_2 | 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 fo | code | |
| Code | A code that defines the atoms involved in the coupling constant and the number of bonds between the named atoms. The code is generated on the basis of the standard nomenclature for coupling constants used in the NMR community. | line | yes |
| Comp_ID_1 | Pointer to '_Chem_comp.ID' | code | yes |
| Comp_ID_2 | Pointer to '_Chem_comp.ID' | code | yes |
| Comp_index_ID_1 | Pointer to '_Entity_comp_index.ID' | int | yes |
| Comp_index_ID_2 | Pointer to '_Entity_comp_index.ID' | int | yes |
| Details | Text providing additional information about the reported coupling constants. | text | |
| Entity_assembly_ID_1 | Pointer to '_Entity_assembly.ID' | int | |
| Entity_assembly_ID_2 | Pointer to '_Entity_assembly.ID' | int | |
| Entity_ID_1 | Pointer to '_Entity.ID' | int | yes |
| Entity_ID_2 | Pointer to '_Entity.ID' | int | yes |
| Entry_ID | Pointer to '_Entry.ID' | code | yes |
| ID | An integer value that is a unique identifier for the coupling constant value. | int | yes |
| Resonance_ID_1 | Pointer to '_Resonance.ID' | int | |
| Resonance_ID_2 | Pointer to '_Resonance.ID' | int | |
| Seq_ID_1 | Pointer to '_Entity_poly_seq.Num' | int | |
| Seq_ID_2 | Pointer to '_Entity_poly_seq.Num' | int | |
| Sf_ID | Pointer to '_Theoretical_coupling_constant_list.Sf_ID' | int | yes |
| Theoretical_coupling_constant_list_ID | Pointer to '_Theoretical_coupling_constant_list.ID' | int | yes |
| Val | Scalar coupling constant value | float | |
| Val_err | Estimated or measured error in the scalar coupling constant value. | float | |
| Val_max | Maximum estimated value for a scalar coupling constant when a specific value cannot be obtained. | float | |
| Val_min | Minimum estimated value for a scalar coupling constant when a specific defined value cannot be obtained. | float | |