../ glycine_3339.g03 13-Jul-2020 20:08 444 glycine_3339.g03.out 13-Jul-2020 20:08 199K glycine_3339.g03.shifts 13-Jul-2020 20:08 103 glycine_3339.mol 13-Jul-2020 20:08 1000 glycine_3339_opt.pdb 13-Jul-2020 20:08 1031