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 
DescriptionNMR-STAR name: _Atom_chem_shift.ID
An integer value that is a unique identifier for the assigned chemical shift value value.  
Database field nameAtomChemShiftID 
SQL Database typeINTEGER 
Part of primary Keyyes 
Foreign Key on table, column,  
Saveframe ID yes: This tag contains the identifier for this saveframe in the entry. 
Row Indexyes: 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 Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptID  
Examples
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_Atom_chem_shift.Assembly_atom_ID (AssemblyAtomID)

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NMR-STAR tag name_Atom_chem_shift.Assembly_atom_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Assembly_atom_ID
Pointer to '_Atom.Assembly_atom_ID'  
Database field nameAssemblyAtomID 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, columnAtom, Assembly_atom_ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptAssembly atom ID  
Examples
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_Atom_chem_shift.Entity_assembly_ID (EntityAssemblyID)

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NMR-STAR tag name_Atom_chem_shift.Entity_assembly_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Entity_assembly_ID
Pointer to '_Entity_assembly.ID'  
Database field nameEntityAssemblyID 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, columnEntity_assembly, ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptEntity assembly ID  
Examples
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_Atom_chem_shift.Entity_ID (EntityID)

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NMR-STAR tag name_Atom_chem_shift.Entity_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Entity_ID
Pointer to '_Entity.ID'  
Database field nameEntityID 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, columnEntity, ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptEntity ID  
Examples
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_Atom_chem_shift.Comp_index_ID (CompIndexID)

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NMR-STAR tag name_Atom_chem_shift.Comp_index_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Comp_index_ID
Pointer to '_Entity_comp_index.ID'  
Database field nameCompIndexID 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, columnEntity_comp_index, ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptComp index ID  
Examples
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_Atom_chem_shift.Seq_ID (SeqID)

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NMR-STAR tag name_Atom_chem_shift.Seq_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Seq_ID
Pointer to '_Entity_poly_seq.Num'  
Database field nameSeqID 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, columnEntity_poly_seq, Num 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptSeq ID  
Examples
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_Atom_chem_shift.Comp_ID (CompID)

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NMR-STAR tag name_Atom_chem_shift.Comp_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Comp_ID
Pointer to '_Chem_comp.ID'  
Database field nameCompID 
SQL Database typeCHAR(12) 
Part of primary Keyno 
Foreign Key on table, columnChem_comp, ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptComp ID  
Examples
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_Atom_chem_shift.Atom_ID (AtomID)

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NMR-STAR tag name_Atom_chem_shift.Atom_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Atom_ID
Pointer to '_Chem_comp_atom.Atom_ID'  
Database field nameAtomID 
SQL Database typeCHAR(12) 
Part of primary Keyno 
Foreign Key on table, columnChem_comp_atom, Atom_ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptAtom ID  
Examples
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_Atom_chem_shift.Atom_type (AtomType)

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NMR-STAR tag name_Atom_chem_shift.Atom_type 
DescriptionNMR-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 nameAtomType 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptAtom type  
Examples
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_Atom_chem_shift.Atom_isotope_number (AtomIsotopeNumber)

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NMR-STAR tag name_Atom_chem_shift.Atom_isotope_number 
DescriptionNMR-STAR name: _Atom_chem_shift.Atom_isotope_number
Isotope number for the specified atom.  
Database field nameAtomIsotopeNumber 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptAtom isotope number  
Examples
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_Atom_chem_shift.Val (Val)

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NMR-STAR tag name_Atom_chem_shift.Val 
DescriptionNMR-STAR name: _Atom_chem_shift.Val
Assigned chemical shift value  
Database field nameVal 
SQL Database typeFLOAT 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptVal  
Examples
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_Atom_chem_shift.Val_err (ValErr)

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NMR-STAR tag name_Atom_chem_shift.Val_err 
DescriptionNMR-STAR name: _Atom_chem_shift.Val_err
Estimated or measured error in the assigned chemical shift value.  
Database field nameValErr 
SQL Database typeFLOAT 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptVal err  
Examples
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_Atom_chem_shift.Assign_fig_of_merit (AssignFigOfMerit)

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NMR-STAR tag name_Atom_chem_shift.Assign_fig_of_merit 
DescriptionNMR-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 nameAssignFigOfMerit 
SQL Database typeFLOAT 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptAssign fig of merit  
Examples
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_Atom_chem_shift.Ambiguity_code (AmbiguityCode)

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NMR-STAR tag name_Atom_chem_shift.Ambiguity_code 
DescriptionNMR-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 nameAmbiguityCode 
SQL Database typeVARCHAR(3) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
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. 
PromptAmbiguity code  
Examples
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_Atom_chem_shift.Occupancy (Occupancy)

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NMR-STAR tag name_Atom_chem_shift.Occupancy 
DescriptionNMR-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 nameOccupancy 
SQL Database typeCHAR(12) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptOccupancy  
Examples
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_Atom_chem_shift.Resonance_ID (ResonanceID)

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NMR-STAR tag name_Atom_chem_shift.Resonance_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Resonance_ID
Pointer to '_Resonance.ID'  
Database field nameResonanceID 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, columnResonance, ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptResonance ID  
Examples
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_Atom_chem_shift.PDB_record_ID (PDBRecordID)

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NMR-STAR tag name_Atom_chem_shift.PDB_record_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.PDB_record_ID
?  
Database field namePDBRecordID 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptPDB record ID  
Examples14034  
Help text 

_Atom_chem_shift.PDB_model_num (PDBModelNum)

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NMR-STAR tag name_Atom_chem_shift.PDB_model_num 
DescriptionNMR-STAR name: _Atom_chem_shift.PDB_model_num
?  
Database field namePDBModelNum 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptPDB model num  
Examples1  
Help text 

_Atom_chem_shift.PDB_strand_ID (PDBStrandID)

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NMR-STAR tag name_Atom_chem_shift.PDB_strand_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.PDB_strand_ID
?  
Database field namePDBStrandID 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptPDB strand ID  
ExamplesA  
Help text 

_Atom_chem_shift.PDB_ins_code (PDBInsCode)

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NMR-STAR tag name_Atom_chem_shift.PDB_ins_code 
DescriptionNMR-STAR name: _Atom_chem_shift.PDB_ins_code
?  
Database field namePDBInsCode 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptPDB ins code  
Examples
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_Atom_chem_shift.PDB_residue_no (PDBResidueNo)

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NMR-STAR tag name_Atom_chem_shift.PDB_residue_no 
DescriptionNMR-STAR name: _Atom_chem_shift.PDB_residue_no
?  
Database field namePDBResidueNo 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptPDB residue no  
Examples6  
Help text 

_Atom_chem_shift.PDB_residue_name (PDBResidueName)

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NMR-STAR tag name_Atom_chem_shift.PDB_residue_name 
DescriptionNMR-STAR name: _Atom_chem_shift.PDB_residue_name
?  
Database field namePDBResidueName 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptPDB residue name  
ExamplesTYR  
Help text 

_Atom_chem_shift.PDB_atom_name (PDBAtomName)

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NMR-STAR tag name_Atom_chem_shift.PDB_atom_name 
DescriptionNMR-STAR name: _Atom_chem_shift.PDB_atom_name
?  
Database field namePDBAtomName 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptPDB atom name  
ExamplesCD1  
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 
DescriptionNMR-STAR name: _Atom_chem_shift.Auth_entity_assembly_ID
?  
Database field nameAuthEntityAssemblyID 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptAuth 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 
DescriptionNMR-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 nameAuthSeqID 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptAuth 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 
DescriptionNMR-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 nameAuthCompID 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptAuth comp ID  
ExamplesDPN  
Help text 

_Atom_chem_shift.Auth_atom_ID (AuthAtomID)

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NMR-STAR tag name_Atom_chem_shift.Auth_atom_ID 
DescriptionNMR-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 nameAuthAtomID 
SQL Database typeVARCHAR(15) 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptAuth atom ID  
ExamplesHB1  
Help text 

_Atom_chem_shift.Details (Details)

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NMR-STAR tag name_Atom_chem_shift.Details 
DescriptionNMR-STAR name: _Atom_chem_shift.Details
?  
Database field nameDetails 
SQL Database typeTEXT 
Part of primary Keyno 
Foreign Key on table, column,  
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?no 
PromptDetails  
Examples  
Help text 

_Atom_chem_shift.Sf_ID (SfID)

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NMR-STAR tag name_Atom_chem_shift.Sf_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Sf_ID
Pointer to '_Assigned_chem_shift_list.Sf_ID'  
Database field nameSfID 
SQL Database typeINTEGER 
Part of primary Keyno 
Foreign Key on table, columnAssigned_chem_shift_list, Sf_ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagyes
This field's data is for internal use only and should be hidden in public versiond of the data. 
Nulls allowed in database?yes 
PromptSf ID  
Examples
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_Atom_chem_shift.Entry_ID (EntryID)

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NMR-STAR tag name_Atom_chem_shift.Entry_ID 
DescriptionNMR-STAR name: _Atom_chem_shift.Entry_ID
Pointer to '_Entry.ID'  
Database field nameEntryID 
SQL Database typeCHAR(12) 
Part of primary Keyyes 
Foreign Key on table, columnAssigned_chem_shift_list, Entry_ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptEntry 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 
DescriptionNMR-STAR name: _Atom_chem_shift.Assigned_chem_shift_list_ID
Pointer to '_Assigned_chem_shift_list.ID'  
Database field nameAssignedChemShiftListID 
SQL Database typeINTEGER 
Part of primary Keyyes 
Foreign Key on table, columnAssigned_chem_shift_list, ID 
Saveframe ID no 
Row Indexno 
Secondary Indexno 
Internal Flagno 
Nulls allowed in database?yes 
PromptAssigned chem shift list ID  
Examples
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