BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

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_Chem_shifts_calc_type.Calculation_level

DescriptionThe level of theory applied in calculating theoretical chemical shifts or chemical shift tensors (not shielding tensors).
Details:
Parent saveframechem_shifts_calc_type
Data typeline
Common valuesab initio
empirical
semi-empirical
 
Exampleempirical; ab initio; semi-empirical
 
DB tableChem_shifts_calc_type
DB columnCalculation_level
DB typeVARCHAR(127)
NULL allowedyes
 
ADIT-NMR deposition system promptCalculation level