NMR-STAR tag name | _Atom_chem_shift.ID |
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Description | NMR-STAR name: _Atom_chem_shift.ID An integer value that is a unique identifier for the assigned chemical shift value value. |
Database field name | AtomChemShiftID |
SQL Database type | INTEGER |
Part of primary Key | yes |
Foreign Key on table, column | , |
Saveframe ID | yes: This tag contains the identifier for this saveframe in the entry. |
Row Index | yes: This tag contains the index of this row in the loop, which is used when the data is loaded into a database which has a relational model in which ordering doesn't matter |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Assembly_atom_ID |
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Description | NMR-STAR name: _Atom_chem_shift.Assembly_atom_ID Pointer to '_Atom.Assembly_atom_ID' |
Database field name | AssemblyAtomID |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | Atom, Assembly_atom_ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Assembly atom ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Entity_assembly_ID |
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Description | NMR-STAR name: _Atom_chem_shift.Entity_assembly_ID Pointer to '_Entity_assembly.ID' |
Database field name | EntityAssemblyID |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | Entity_assembly, ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Entity assembly ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Entity_ID |
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Description | NMR-STAR name: _Atom_chem_shift.Entity_ID Pointer to '_Entity.ID' |
Database field name | EntityID |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | Entity, ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Entity ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Comp_index_ID |
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Description | NMR-STAR name: _Atom_chem_shift.Comp_index_ID Pointer to '_Entity_comp_index.ID' |
Database field name | CompIndexID |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | Entity_comp_index, ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Comp index ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Seq_ID |
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Description | NMR-STAR name: _Atom_chem_shift.Seq_ID Pointer to '_Entity_poly_seq.Num' |
Database field name | SeqID |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | Entity_poly_seq, Num |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Seq ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Comp_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Comp_ID Pointer to '_Chem_comp.ID' |
Database field name | CompID |
SQL Database type | CHAR(12) |
Part of primary Key | no |
Foreign Key on table, column | Chem_comp, ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Comp ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Atom_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Atom_ID Pointer to '_Chem_comp_atom.Atom_ID' |
Database field name | AtomID |
SQL Database type | CHAR(12) |
Part of primary Key | no |
Foreign Key on table, column | Chem_comp_atom, Atom_ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Atom ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Atom_type |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Atom_type The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). |
Database field name | AtomType |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Atom type |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Atom_isotope_number |
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Description | NMR-STAR name: _Atom_chem_shift.Atom_isotope_number Isotope number for the specified atom. |
Database field name | AtomIsotopeNumber |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Atom isotope number |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Val |
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Description | NMR-STAR name: _Atom_chem_shift.Val Assigned chemical shift value |
Database field name | Val |
SQL Database type | FLOAT |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Val |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Val_err |
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Description | NMR-STAR name: _Atom_chem_shift.Val_err Estimated or measured error in the assigned chemical shift value. |
Database field name | ValErr |
SQL Database type | FLOAT |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Val err |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Assign_fig_of_merit |
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Description | NMR-STAR name: _Atom_chem_shift.Assign_fig_of_merit Figure of merit for the assignment of the atom to the reported chemical shift value. |
Database field name | AssignFigOfMerit |
SQL Database type | FLOAT |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Assign fig of merit |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Ambiguity_code |
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Description | NMR-STAR name: _Atom_chem_shift.Ambiguity_code Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, etc. |
Database field name | AmbiguityCode |
SQL Database type | VARCHAR(3) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Enumerations | [click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced. |
Prompt | Ambiguity code |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Occupancy |
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Description | NMR-STAR name: _Atom_chem_shift.Occupancy Where multiple chemical shift values are assigned to the same atom, the estimated percent of the molecules with the assigned chemical shift. |
Database field name | Occupancy |
SQL Database type | CHAR(12) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Occupancy |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Resonance_ID |
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Description | NMR-STAR name: _Atom_chem_shift.Resonance_ID Pointer to '_Resonance.ID' |
Database field name | ResonanceID |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | Resonance, ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Resonance ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.PDB_record_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.PDB_record_ID ? |
Database field name | PDBRecordID |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | PDB record ID |
Examples | 14034 |
Help text |
NMR-STAR tag name | _Atom_chem_shift.PDB_model_num |
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Description | NMR-STAR name: _Atom_chem_shift.PDB_model_num ? |
Database field name | PDBModelNum |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | PDB model num |
Examples | 1 |
Help text |
NMR-STAR tag name | _Atom_chem_shift.PDB_strand_ID |
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Description | NMR-STAR name: _Atom_chem_shift.PDB_strand_ID ? |
Database field name | PDBStrandID |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | PDB strand ID |
Examples | A |
Help text |
NMR-STAR tag name | _Atom_chem_shift.PDB_ins_code |
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Description | NMR-STAR name: _Atom_chem_shift.PDB_ins_code ? |
Database field name | PDBInsCode |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | PDB ins code |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.PDB_residue_no |
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Description | NMR-STAR name: _Atom_chem_shift.PDB_residue_no ? |
Database field name | PDBResidueNo |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | PDB residue no |
Examples | 6 |
Help text |
NMR-STAR tag name | _Atom_chem_shift.PDB_residue_name |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.PDB_residue_name ? |
Database field name | PDBResidueName |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | PDB residue name |
Examples | TYR |
Help text |
NMR-STAR tag name | _Atom_chem_shift.PDB_atom_name |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.PDB_atom_name ? |
Database field name | PDBAtomName |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | PDB atom name |
Examples | CD1 |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Auth_entity_assembly_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Auth_entity_assembly_ID ? |
Database field name | AuthEntityAssemblyID |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Auth entity assembly ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Auth_seq_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.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 for Seq_ID or Comp_index_ID. |
Database field name | AuthSeqID |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Auth seq ID |
Examples | -3 |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Auth_comp_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.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. |
Database field name | AuthCompID |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Auth comp ID |
Examples | DPN |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Auth_atom_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.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. |
Database field name | AuthAtomID |
SQL Database type | VARCHAR(15) |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Auth atom ID |
Examples | HB1 |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Details |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Details ? |
Database field name | Details |
SQL Database type | TEXT |
Part of primary Key | no |
Foreign Key on table, column | , |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | no |
Prompt | Details |
Examples | |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Sf_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Sf_ID Pointer to '_Assigned_chem_shift_list.Sf_ID' |
Database field name | SfID |
SQL Database type | INTEGER |
Part of primary Key | no |
Foreign Key on table, column | Assigned_chem_shift_list, Sf_ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | yes This field's data is for internal use only and should be hidden in public versiond of the data. |
Nulls allowed in database? | yes |
Prompt | Sf ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Entry_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Entry_ID Pointer to '_Entry.ID' |
Database field name | EntryID |
SQL Database type | CHAR(12) |
Part of primary Key | yes |
Foreign Key on table, column | Assigned_chem_shift_list, Entry_ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Entry ID |
Examples | ? |
Help text |
NMR-STAR tag name | _Atom_chem_shift.Assigned_chem_shift_list_ID |
---|---|
Description | NMR-STAR name: _Atom_chem_shift.Assigned_chem_shift_list_ID Pointer to '_Assigned_chem_shift_list.ID' |
Database field name | AssignedChemShiftListID |
SQL Database type | INTEGER |
Part of primary Key | yes |
Foreign Key on table, column | Assigned_chem_shift_list, ID |
Saveframe ID | no |
Row Index | no |
Secondary Index | no |
Internal Flag | no |
Nulls allowed in database? | yes |
Prompt | Assigned chem shift list ID |
Examples | ? |
Help text |