AutoDep: Depositing NMR data at PDBe
Chemical shift referencing
If your CCPN project contained chemical shifts, you will be able to enter new reference compounds,
reference shift values, etc; or modify the prefilled values. However, if you upload a different set
of chemical shifts separately on the preceding page (File deposition) or if you had no CCPN project to begin with,
one first needs to run sanity
checks that the coordinates and chemical shifts refer to the same sequence and set of atoms. Once this
validation is successful, you can proceed to entering the information about referencing the chemical shifts.