NMR-STAR dictionary: detail of MolInteractionChemShift table

NMR-STAR dictionary: database table: MolInteractionChemShift

Detailed description of the fields

_Mol_interaction_chem_shift.ID (MolInteractionChemShiftID)

NMR-STAR tag name	_Mol_interaction_chem_shift.ID
Description	NMR-STAR name: _Mol_interaction_chem_shift.ID Unique identifier for the observed chemical shift difference for a nuclei caused by the interaction between two members of the molecular assembly.
Database field name	MolInteractionChemShiftID
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

_Mol_interaction_chem_shift.Assembly_atom_ID (AssemblyAtomID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Assembly_atom_ID
Description	NMR-STAR name: _Mol_interaction_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	Entry atom ID
Examples	?
Help text

_Mol_interaction_chem_shift.Entity_assembly_ID (EntityAssemblyID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Entity_assembly_ID
Description	NMR-STAR name: _Mol_interaction_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?	yes
Prompt	Mol sys comp ID
Examples	?
Help text

_Mol_interaction_chem_shift.Entity_ID (EntityID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Entity_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Comp_index_ID (CompIndexID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Comp_index_ID
Description	NMR-STAR name: _Mol_interaction_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	Chem comp index ID
Examples	?
Help text

_Mol_interaction_chem_shift.Seq_ID (SeqID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Seq_ID
Description	NMR-STAR name: _Mol_interaction_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	Chem comp seq num
Examples	?
Help text

_Mol_interaction_chem_shift.Comp_ID (CompID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Comp_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Atom_ID (AtomID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Atom_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Atom_type (AtomType)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Atom_type
Description	NMR-STAR name: _Mol_interaction_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?	no
Prompt	Atom type
Examples	?
Help text

_Mol_interaction_chem_shift.Atom_isotope_number (AtomIsotopeNumber)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Atom_isotope_number
Description	NMR-STAR name: _Mol_interaction_chem_shift.Atom_isotope_number ?
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?	no
Prompt	Atom isotope number
Examples	?
Help text

_Mol_interaction_chem_shift.Chem_shift_val (ChemShiftVal)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Chem_shift_val
Description	NMR-STAR name: _Mol_interaction_chem_shift.Chem_shift_val Chemical shift value for the atom when in the presence of the molecules that are interacting with it.
Database field name	ChemShiftVal
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	Chem shift val
Examples	?
Help text

_Mol_interaction_chem_shift.Chem_shift_val_err (ChemShiftValErr)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Chem_shift_val_err
Description	NMR-STAR name: _Mol_interaction_chem_shift.Chem_shift_val_err Estimated error in the chemical shift value.
Database field name	ChemShiftValErr
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	Chem shift val err
Examples	?
Help text

_Mol_interaction_chem_shift.Chem_shift_diff_val (ChemShiftDiffVal)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Chem_shift_diff_val
Description	NMR-STAR name: _Mol_interaction_chem_shift.Chem_shift_diff_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.
Database field name	ChemShiftDiffVal
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	Chem shift difference val
Examples	?
Help text

_Mol_interaction_chem_shift.Chem_shift_diff_val_err (ChemShiftDiffValErr)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Chem_shift_diff_val_err
Description	NMR-STAR name: _Mol_interaction_chem_shift.Chem_shift_diff_val_err Estimated error for the delta chemical shift value reported.
Database field name	ChemShiftDiffValErr
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	Chem shift difference val err
Examples	?
Help text

_Mol_interaction_chem_shift.Resonance_ID (ResonanceID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Resonance_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Auth_entity_assembly_ID (AuthEntityAssemblyID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Auth_entity_assembly_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Auth_seq_ID (AuthSeqID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Auth_seq_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Auth_comp_ID (AuthCompID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Auth_comp_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Auth_atom_ID (AuthAtomID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Auth_atom_ID
Description	NMR-STAR name: _Mol_interaction_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

_Mol_interaction_chem_shift.Sf_ID (SfID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Sf_ID
Description	NMR-STAR name: _Mol_interaction_chem_shift.Sf_ID Pointer to '_Mol_interaction_chem_shift_diff.Sf_ID'
Database field name	SfID
SQL Database type	INTEGER
Part of primary Key	no
Foreign Key on table, column	Mol_interaction_chem_shift_diff, 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

_Mol_interaction_chem_shift.Entry_ID (EntryID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Entry_ID
Description	NMR-STAR name: _Mol_interaction_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	Mol_interaction_chem_shift_diff, 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

_Mol_interaction_chem_shift.Mol_interaction_chem_shift_diff_ID (MolInteractionChemShiftDiffID)

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NMR-STAR tag name	_Mol_interaction_chem_shift.Mol_interaction_chem_shift_diff_ID
Description	NMR-STAR name: _Mol_interaction_chem_shift.Mol_interaction_chem_shift_diff_ID Pointer to '_Mol_interaction_chem_shift_diff.ID'
Database field name	MolInteractionChemShiftDiffID
SQL Database type	INTEGER
Part of primary Key	yes
Foreign Key on table, column	Mol_interaction_chem_shift_diff, ID
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Prompt	Mol interaction chem shift diff ID
Examples	?
Help text