read coor pdb MBR242E_NMR_em_bcr3.pdb all to iupac read upl xplor MBR242E_NMR_em_bcr3.upl.old read cons xplor MBR242E_NMR_em_bcr3.hbond noe to iupac set cutupl 0.10 see viol noe sum viol_dist.pdbstat quit