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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DescriptionThe quantum mechanical level of theory used to calculate the chemical shifts or chemical shift tensors (not shielding tensors).
Parent saveframechem_shifts_calc_type
Data typeline
Common valuesB3LYP
DB tableChem_shifts_calc_type
DB columnQuantum_mechanical_theory_level
DB typeVARCHAR(127)
NULL allowedyes
ADIT-NMR deposition system promptQuantum mechanical theory level