PDBx/mmCIF
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Data Category pdbx_nmr_chem_shift_ref

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General

Category name
pdbx_nmr_chem_shift_ref
Required in PDB entries
no
Category group membership
nmr_group  pdbx_group
Used in current PDB entries
No
Used internally by PDB
Yes

Category Relationship Diagrams

70
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Category Description 

 
Items in the pdbx_nmr_chem_shift_ref category provide the chemical shift referencing values used in assigning the chemical shift positions for peaks in spectral peak lists and assigned atom chemical shifts.

Category Example

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    loop_
    _pdbx_nmr_chem_shift_ref.atom_group
    _pdbx_nmr_chem_shift_ref.atom_isotope_number
    _pdbx_nmr_chem_shift_ref.atom_type
    _pdbx_nmr_chem_shift_ref.chem_shift_reference_id
    _pdbx_nmr_chem_shift_ref.chem_shift_units
    _pdbx_nmr_chem_shift_ref.chem_shift_val
    _pdbx_nmr_chem_shift_ref.correction_val
    _pdbx_nmr_chem_shift_ref.entry_id
    _pdbx_nmr_chem_shift_ref.external_ref_axis
    _pdbx_nmr_chem_shift_ref.external_ref_loc
    _pdbx_nmr_chem_shift_ref.external_ref_sample_geometry
    _pdbx_nmr_chem_shift_ref.indirect_shift_ratio
    _pdbx_nmr_chem_shift_ref.mol_common_name
    _pdbx_nmr_chem_shift_ref.rank
    _pdbx_nmr_chem_shift_ref.ref_correction_type
    _pdbx_nmr_chem_shift_ref.ref_method
    _pdbx_nmr_chem_shift_ref.ref_type
    _pdbx_nmr_chem_shift_ref.solvent
    "methyl protons" 1  H 1 ppm 0.000 ? 1ABC ? ? ? 1.00000000  DSS ? ? external direct   ?
    "methyl protons" 13 C 1 ppm 0.000 ? 1ABC ? ? ? 0.251449530 DSS ? ? external indirect ?
    "methyl protons" 15 N 1 ppm 0.000 ? 1ABC ? ? ? 0.101329118 DSS ? ? external indirect ?

Key Data Items

Category Data Items

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