../ beta_alanine_3399.g03 13-Jul-2020 19:44 523 beta_alanine_3399.g03.out 13-Jul-2020 19:44 246K beta_alanine_3399.g03.shifts 13-Jul-2020 19:44 137 beta_alanine_3399.mol 13-Jul-2020 19:44 1281 beta_alanine_3399_opt.pdb 13-Jul-2020 19:44 1339