Raw data for replica-averaged restraints implementation in UNRES polypeptide chain models

This data set contains the structures in the PDB format (archived directory PDB) and the files with ensemble-averaged proton-proton distances and the respective NMR-determined upper distance boundaries (archived directory NMR) corresponding to the NMR-restrained UNRES/MREMD simulations with replica-averaged restraints (12 temperatures, restraints averaged over 4 replicas) of 2LWA, 2KW5, 2KZN, and 1PQX of the related paper.