Tag category Chem_shift_perturbation
Key tags (columns):
Tags in table Chem_shift_perturbation:
| 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_perturbation_list_ID | Pointer to '_Chem_shift_perturbation_list.ID' | int | yes |
| Chem_shift_val | Chemical shift value for the atom when in the presence of the molecules that are interacting with it. | float | |
| Chem_shift_val_err | Estimated error in the chemical shift value. | float | |
| Comp_ID | Pointer to '_Chem_comp.ID' | code | yes |
| Comp_index_ID | Pointer to '_Entity_comp_index.ID' | int | yes |
| Difference_chem_shift_val | The difference between the chemical shift value for the atom in the free state of the molecule and in the state where it is interacting with one or more other molecules. | float | |
| Difference_chem_shift_val_err | Estimated error for the delta chemical shift value reported. | float | |
| 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 chemical shift difference for a nuclei caused by the interaction between two members of the molecular assembly. | int | yes |
| Resonance_ID | Pointer to '_Resonance.ID' | int | |
| Seq_ID | Pointer to '_Entity_poly_seq.Num' | int | |
| Sf_ID | Pointer to '_Chem_shift_perturbation_list.Sf_ID' | int | yes |
| Titration_value | The value for the parameter titrated in the chemical shift perturbation study. This might be concentration for a molecular interation study (e.g. protein-protein interaction lingand binding or fragment study) or temperature for a temperature study. | float | |
| Titration_value_err | The error in the value for the parameter that was titrated. | float | |