Empirical analysis of backbone chemical shifts in proteins
Chemical shift data from the BMRB were correlated with PDB structures for
590 proteins and corrected for unexplained systematic offset and non-IUPAC
recommended referencing. Shifts were sorted according to secondary
structure type, determined with DSSP for the corresponding structures.
The dataset was filtered by discarding points lying in disallowable regions
of Ramachandran plots. Typically these data points localize to residues
at the N or C terminus of the protein, or the ends of helices and strands.
Analysis performed by Amanda Mayo and Kyoko Yap of the Ikura laboratory,
Department of Medical Biophysics, University of Toronto; Division of Molecular
and Structural Biology, Ontario Cancer Institute, May 2001.
Please note these are preliminary results with an update to follow soon.
contact: Kyoko L. Yap