PDBx/mmCIF
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Data Item
_chem_shift_ref.atom_group
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General
Item name
_chem_shift_ref.atom_group
Category name
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.
Item Example
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'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|^-]*
Values limited by enumeration list
no
Controlled Vocabulary
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Allowed Value
Details
methyl carbon
methyl carbons
methyl protons
methylene protons
nitrogen
protons
Controlled Vocabulary at Deposition
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Allowed Value
Details
methyl carbon
methyl carbons
methyl protons
methylene protons
nitrogen
protons