Files from the ProCS15 paper: ProCSnumpyfiles.tar.bz2: Data files required for running the predictor shieldings.tar: Parsed isotropic shieldings of tripeptides (including ASA) predictions.tar.bz2: ProCS and empirical predictions. hydrogenbondnmrlogs.tar: Gaussian nmr log files of all hydrogen bond scans nmrlogs.tar: Gaussian nmr log files of all tripeptide scans (ASA is missing) structures.tar.bz2: The used 1UBQ crystal structure with added hydrogens and 1UBQ/2OED pm6d3h+ optimized structures. proteinnmrlogs.tar.bz2: Gaussian nmr log files of pm6d3h+ optimized structures