The database was assembled by using a structure-based chemical shift calculation program (called SHIFTX) to calculate expected protein (1)H, (13)C and (15)N chemical shifts from X-ray or NMR coordinate data of previously assigned proteins reported in the BMRB.
The RefDB database currently provides reference-corrected chemical shift data on more than 2000 assigned peptides and proteins.
In addition, nearly every data item is fully traceable and explicitly referenced to the original source.
The first program (SHIFTX) calculates backbone 1H, 13C and 15N chemical shifts from protein 3D coordinate data.
UPDATE also directs the data to SHIFTCOR and appends the ‘corrected’ chemical shift file to the RefDB database.