Data Item _pdbx_nmr_chem_shift_ref.atom_group

General

Item name
_pdbx_nmr_chem_shift_ref.atom_group
Category name
pdbx_nmr_chem_shift_ref
Attribute name
atom_group
Required in PDB entries
yes
Used in currrent PDB entries
No

Item Description

Group of atoms within a molecule whose chemical shift was used as the standard chemical shift reference for the defined observed nuclei.

Additional Descriptive Information for Depositors

 Molecular group used as reference for this nucleus.

Item Example

 methyl protons

Data Type

Data type code
line
Data type detail
char item types / multi-word items ...
Primitive data type code
char
Regular expression
[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*

Controlled Vocabulary

Allowed Value Details
carbonyl carbon
fluorine
methyl carbon
methyl carbons
methyl protons
methylene carbons
methylene protons
nitrogen
phosphorus
protons

Controlled Vocabulary at Deposition

Allowed Value Details
carbonyl carbon
fluorine
methyl carbons
methyl protons
methylene carbons
methylene protons
nitrogen
phosphorus
protons