ANSURR uses backbone chemical shifts to validate the accuracy of a protein structure. It works by comparing protein flexibility predicted from backbone chemical shifts with flexibility computed from a structure using the mathematical theory of rigidity. For more details see our paper.
ANSURR and associated documentation can be downloaded from github.com/nickjf/ANSURR. A typical calculation on an ensemble of 20 models for a 150-residue protein takes less than a minute. Some example calculations which include discussion of how to interpret the output produced by ANSURR are provided here.
Precomputed ANSURR output for NMR protein structures in the PDB can be found here (A preprint outlining our analysis of these results coming soon!).
For support, queries or suggestions please contact Nick Fowler.