PANAV is a Java based structure-independent chemical shift validation and re-referencing tool. It is based on using residue-specific and secondary structure-specific chemical shift distributions calculated over small (3-6 residue) fragments to identify mis-assigned resonances. The method is also able to identify and re-reference mis-referenced chemical shift assignments. Comparisons against existing re-referencing or mis-assignment detection programs show that the method is as good or superior to existing approaches.
Click here to download a standalone version of the PANAV application.
Please cite the following: Bowei Wang, Yunjun Wang and David S. Wishart. "A probabilistic approach for validating protein NMR chemical shift assignments". Journal of Biomolecular NMR. Volume 47, Number 2 / June 2010: 85-99.