Tag category Isotope_effect
Key tags (columns):
Tags in table Isotope_effect:
| Tag | Description | data type | Mandatory |
|---|---|---|---|
| Assembly_atom_ID | Pointer to '_Atom.Assembly_atom_ID' | int | |
| Atom_ID | Pointer to '_Chem_comp_atom.Atom_ID' | atcode | yes |
| Atom_isotope_number | The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. | int | |
| Atom_type | The value for this tag is a standard IUPAC abbreviation for an element (i.e. H C P etc). | code | |
| Auth_atom_ID | 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 | 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 | 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 | 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 | |
| Chem_shift_isotope_effect_list_ID | Pointer to '_Chem_shift_isotope_effect_list.ID' | int | yes |
| Chem_shift_val | Observed chemical shift value for the defined atom in the molecular assembly. | float | |
| Chem_shift_val_err | Estimated error in the observed chemical shift value for the defined atom in the molecular assembly. | float | |
| Comp_ID | Pointer to '_Chem_comp.ID' | code | yes |
| Comp_index_ID | Pointer to '_Entity_comp_index.ID' | int | yes |
| Entity_assembly_ID | Pointer to '_Entity_assembly.ID' | int | yes |
| Entity_ID | Pointer to '_Entity.ID' | int | yes |
| Entry_ID | Pointer to '_Entry.ID' | code | yes |
| ID | Unique identifier for the observed isotope effect. | int | yes |
| Label_1_ID_chem_shift_val | Chemical shift value for the specified atom in the molecular assembly in a control isotopically labeled sample. | float | |
| Label_1_ID_chem_shift_val_err | Estimated error in the chemical shift value for the specified atom in the molecular assembly in a control isotopically labeled sample. | float | |
| Label_2_ID_chem_shift_val | Chemical shift value for the specified atom in the molecular assembly in the experimental isotopically labeled sample. | float | |
| Label_2_ID_chem_shift_val_err | Estimated error in the chemical shift value for the specified atom in the molecular assembly in a experimental isotopically labeled sample. | float | |
| Label_pattern_ID_1 | Pointer to '_Isotope_label_pattern.ID' | int | |
| Label_pattern_ID_2 | Pointer to '_Isotope_label_pattern.ID' | int | |
| Label_sample_ID_1 | Pointer to '_Sample.ID' | int | yes |
| Label_sample_ID_2 | Pointer to '_Sample.ID' | int | yes |
| Resonance_ID_1 | Pointer to '_Resonance.ID' | int | |
| Resonance_ID_2 | Pointer to '_Resonance.ID' | int | |
| Seq_ID | Pointer to '_Entity_poly_seq.Num' | int | |
| Sf_ID | Pointer to '_Chem_shift_isotope_effect_list.Sf_ID' | int | yes |