VASCO is a database of chemical shift validation reports for 2000+ entries in the PDB,
which also have a set of chemical shifts deposited in the BMRB. Use the search boxes below to
access the reports by either PDB code or BMRB ID.
VASCO uses the PDB and BMRB archives and performs statistical analysis, which takes into account the solvent
accessibility of all heavy atoms, the secondary structure information and the reported chemical shift values.
VASCO corrects and reports chemical shift referencing inconsistencies, identifies individual chemical shift outliers
and provides a Z-score for each deviation from the expected mean value.
You can also ftp all reports here (size 40MB).
References
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W. Rieping and W.F. Vranken. Validation of Archived chemical Shifts through atomic COordinates (VASCO).
Proteins (2010) 78:2482-2489.
DOI: 10.1002/prot.22756
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W.F. Vranken and W. Rieping. Relationship between chemical shift value and accessible surface area
for all amino acid atoms. BMC Structural Biology (2009) 9:20.
DOI: 10.1186/1472-6807-9-20
