## NMR-STAR dictionary: database table: AtomChemShift

Detailed description of the fields

### _Atom_chem_shift.ID (AtomChemShiftID)

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NMR-STAR tag name | _Atom_chem_shift.ID
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 |

### _Atom_chem_shift.Assembly_atom_ID (AssemblyAtomID)

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NMR-STAR tag name | _Atom_chem_shift.Assembly_atom_ID
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 |

### _Atom_chem_shift.Entity_assembly_ID (EntityAssemblyID)

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NMR-STAR tag name | _Atom_chem_shift.Entity_assembly_ID
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 |

### _Atom_chem_shift.Entity_ID (EntityID)

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NMR-STAR tag name | _Atom_chem_shift.Entity_ID
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 |

### _Atom_chem_shift.Comp_index_ID (CompIndexID)

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NMR-STAR tag name | _Atom_chem_shift.Comp_index_ID
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 |

### _Atom_chem_shift.Seq_ID (SeqID)

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NMR-STAR tag name | _Atom_chem_shift.Seq_ID
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 |

### _Atom_chem_shift.Comp_ID (CompID)

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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 |

### _Atom_chem_shift.Atom_ID (AtomID)

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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 |

### _Atom_chem_shift.Atom_type (AtomType)

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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 |

### _Atom_chem_shift.Atom_isotope_number (AtomIsotopeNumber)

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NMR-STAR tag name | _Atom_chem_shift.Atom_isotope_number
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 |

### _Atom_chem_shift.Val (Val)

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NMR-STAR tag name | _Atom_chem_shift.Val
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 |

### _Atom_chem_shift.Val_err (ValErr)

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NMR-STAR tag name | _Atom_chem_shift.Val_err
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 |

### _Atom_chem_shift.Assign_fig_of_merit (AssignFigOfMerit)

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NMR-STAR tag name | _Atom_chem_shift.Assign_fig_of_merit
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 |

### _Atom_chem_shift.Ambiguity_code (AmbiguityCode)

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NMR-STAR tag name | _Atom_chem_shift.Ambiguity_code
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 |

### _Atom_chem_shift.Occupancy (Occupancy)

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NMR-STAR tag name | _Atom_chem_shift.Occupancy
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 |

### _Atom_chem_shift.Resonance_ID (ResonanceID)

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NMR-STAR tag name | _Atom_chem_shift.Resonance_ID
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 |

### _Atom_chem_shift.PDB_record_ID (PDBRecordID)

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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 |

### _Atom_chem_shift.PDB_model_num (PDBModelNum)

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NMR-STAR tag name | _Atom_chem_shift.PDB_model_num
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 |

### _Atom_chem_shift.PDB_strand_ID (PDBStrandID)

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NMR-STAR tag name | _Atom_chem_shift.PDB_strand_ID
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 |

### _Atom_chem_shift.PDB_ins_code (PDBInsCode)

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NMR-STAR tag name | _Atom_chem_shift.PDB_ins_code
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 |

### _Atom_chem_shift.PDB_residue_no (PDBResidueNo)

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NMR-STAR tag name | _Atom_chem_shift.PDB_residue_no
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 |

### _Atom_chem_shift.PDB_residue_name (PDBResidueName)

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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 |

### _Atom_chem_shift.PDB_atom_name (PDBAtomName)

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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 |

### _Atom_chem_shift.Auth_entity_assembly_ID (AuthEntityAssemblyID)

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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 |

### _Atom_chem_shift.Auth_seq_ID (AuthSeqID)

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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 |

### _Atom_chem_shift.Auth_comp_ID (AuthCompID)

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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 |

### _Atom_chem_shift.Auth_atom_ID (AuthAtomID)

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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 |

### _Atom_chem_shift.Details (Details)

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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 |

### _Atom_chem_shift.Sf_ID (SfID)

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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 |

### _Atom_chem_shift.Entry_ID (EntryID)

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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 |

### _Atom_chem_shift.Assigned_chem_shift_list_ID (AssignedChemShiftListID)

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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 |