Data Category pdbx_nmr_chem_shift_ref

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
View full category relationship diagram including all dictionary data categories

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

 
    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 ?