################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 27320 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPNMR . . 27320 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 14 14 ASN H H 1 8.293 0.006 . 1 . . . . . 14 ASN H . 27320 1 2 . 1 . 1 14 14 ASN CA C 13 53.653 0.000 . 1 . . . . . 14 ASN CA . 27320 1 3 . 1 . 1 14 14 ASN CB C 13 38.599 0.000 . 1 . . . . . 14 ASN CB . 27320 1 4 . 1 . 1 14 14 ASN N N 15 118.690 0.061 . 1 . . . . . 14 ASN N . 27320 1 5 . 1 . 1 16 16 ASN H H 1 8.244 0.137 . 1 . . . . . 16 ASN H . 27320 1 6 . 1 . 1 16 16 ASN CA C 13 53.186 0.000 . 1 . . . . . 16 ASN CA . 27320 1 7 . 1 . 1 16 16 ASN CB C 13 38.627 0.000 . 1 . . . . . 16 ASN CB . 27320 1 8 . 1 . 1 16 16 ASN N N 15 119.540 0.245 . 1 . . . . . 16 ASN N . 27320 1 9 . 1 . 1 17 17 LEU H H 1 7.893 0.007 . 1 . . . . . 17 LEU H . 27320 1 10 . 1 . 1 17 17 LEU CA C 13 55.654 0.000 . 1 . . . . . 17 LEU CA . 27320 1 11 . 1 . 1 17 17 LEU CB C 13 38.600 0.000 . 1 . . . . . 17 LEU CB . 27320 1 12 . 1 . 1 17 17 LEU N N 15 121.727 0.072 . 1 . . . . . 17 LEU N . 27320 1 13 . 1 . 1 18 18 TYR H H 1 7.887 0.000 . 1 . . . . . 18 TYR H . 27320 1 14 . 1 . 1 18 18 TYR CA C 13 38.582 0.000 . 1 . . . . . 18 TYR CA . 27320 1 15 . 1 . 1 18 18 TYR N N 15 119.686 0.003 . 1 . . . . . 18 TYR N . 27320 1 16 . 1 . 1 19 19 PHE H H 1 7.837 0.000 . 1 . . . . . 19 PHE H . 27320 1 17 . 1 . 1 19 19 PHE CA C 13 57.856 0.000 . 1 . . . . . 19 PHE CA . 27320 1 18 . 1 . 1 19 19 PHE N N 15 121.333 0.004 . 1 . . . . . 19 PHE N . 27320 1 19 . 1 . 1 20 20 GLN H H 1 8.148 0.000 . 1 . . . . . 20 GLN H . 27320 1 20 . 1 . 1 20 20 GLN CA C 13 56.143 0.000 . 1 . . . . . 20 GLN CA . 27320 1 21 . 1 . 1 20 20 GLN CB C 13 29.183 0.000 . 1 . . . . . 20 GLN CB . 27320 1 22 . 1 . 1 20 20 GLN N N 15 121.928 0.013 . 1 . . . . . 20 GLN N . 27320 1 23 . 1 . 1 21 21 GLY H H 1 7.887 0.001 . 1 . . . . . 21 GLY H . 27320 1 24 . 1 . 1 21 21 GLY CA C 13 45.296 0.000 . 1 . . . . . 21 GLY CA . 27320 1 25 . 1 . 1 21 21 GLY N N 15 109.442 0.003 . 1 . . . . . 21 GLY N . 27320 1 26 . 1 . 1 22 22 MET H H 1 7.967 0.001 . 1 . . . . . 22 MET H . 27320 1 27 . 1 . 1 22 22 MET CA C 13 55.597 0.000 . 1 . . . . . 22 MET CA . 27320 1 28 . 1 . 1 22 22 MET CB C 13 33.047 0.000 . 1 . . . . . 22 MET CB . 27320 1 29 . 1 . 1 22 22 MET N N 15 119.669 0.014 . 1 . . . . . 22 MET N . 27320 1 30 . 1 . 1 23 23 ALA H H 1 8.214 0.000 . 1 . . . . . 23 ALA H . 27320 1 31 . 1 . 1 23 23 ALA CA C 13 52.698 0.000 . 1 . . . . . 23 ALA CA . 27320 1 32 . 1 . 1 23 23 ALA CB C 13 19.272 0.000 . 1 . . . . . 23 ALA CB . 27320 1 33 . 1 . 1 23 23 ALA N N 15 125.051 0.003 . 1 . . . . . 23 ALA N . 27320 1 34 . 1 . 1 24 24 GLU H H 1 8.165 0.000 . 1 . . . . . 24 GLU H . 27320 1 35 . 1 . 1 24 24 GLU CA C 13 55.986 0.000 . 1 . . . . . 24 GLU CA . 27320 1 36 . 1 . 1 24 24 GLU CB C 13 30.445 0.000 . 1 . . . . . 24 GLU CB . 27320 1 37 . 1 . 1 24 24 GLU N N 15 119.707 0.003 . 1 . . . . . 24 GLU N . 27320 1 38 . 1 . 1 25 25 ALA H H 1 8.165 0.000 . 1 . . . . . 25 ALA H . 27320 1 39 . 1 . 1 25 25 ALA CA C 13 50.295 0.000 . 1 . . . . . 25 ALA CA . 27320 1 40 . 1 . 1 25 25 ALA CB C 13 18.162 0.000 . 1 . . . . . 25 ALA CB . 27320 1 41 . 1 . 1 25 25 ALA N N 15 126.360 0.007 . 1 . . . . . 25 ALA N . 27320 1 42 . 1 . 1 27 27 GLN CA C 13 57.106 0.000 . 1 . . . . . 27 GLN CA . 27320 1 43 . 1 . 1 27 27 GLN CB C 13 29.906 0.000 . 1 . . . . . 27 GLN CB . 27320 1 44 . 1 . 1 27 27 GLN N N 15 121.243 0.000 . 1 . . . . . 27 GLN N . 27320 1 45 . 1 . 1 28 28 VAL H H 1 8.156 0.000 . 1 . . . . . 28 VAL H . 27320 1 46 . 1 . 1 28 28 VAL CA C 13 62.441 0.000 . 1 . . . . . 28 VAL CA . 27320 1 47 . 1 . 1 28 28 VAL CB C 13 32.667 0.000 . 1 . . . . . 28 VAL CB . 27320 1 48 . 1 . 1 28 28 VAL N N 15 122.541 0.009 . 1 . . . . . 28 VAL N . 27320 1 49 . 1 . 1 29 29 VAL H H 1 8.148 0.000 . 1 . . . . . 29 VAL H . 27320 1 50 . 1 . 1 29 29 VAL CA C 13 62.237 0.000 . 1 . . . . . 29 VAL CA . 27320 1 51 . 1 . 1 29 29 VAL CB C 13 32.760 0.000 . 1 . . . . . 29 VAL CB . 27320 1 52 . 1 . 1 29 29 VAL N N 15 124.794 0.003 . 1 . . . . . 29 VAL N . 27320 1 53 . 1 . 1 30 30 GLU H H 1 8.369 0.000 . 1 . . . . . 30 GLU H . 27320 1 54 . 1 . 1 30 30 GLU CA C 13 56.144 0.000 . 1 . . . . . 30 GLU CA . 27320 1 55 . 1 . 1 30 30 GLU CB C 13 30.414 0.000 . 1 . . . . . 30 GLU CB . 27320 1 56 . 1 . 1 30 30 GLU N N 15 125.517 0.010 . 1 . . . . . 30 GLU N . 27320 1 57 . 1 . 1 31 31 ILE H H 1 8.153 0.131 . 1 . . . . . 31 ILE H . 27320 1 58 . 1 . 1 31 31 ILE CA C 13 60.634 0.000 . 1 . . . . . 31 ILE CA . 27320 1 59 . 1 . 1 31 31 ILE CB C 13 39.062 0.000 . 1 . . . . . 31 ILE CB . 27320 1 60 . 1 . 1 31 31 ILE N N 15 122.373 0.262 . 1 . . . . . 31 ILE N . 27320 1 61 . 1 . 1 32 32 ASP H H 1 8.214 0.000 . 1 . . . . . 32 ASP H . 27320 1 62 . 1 . 1 32 32 ASP N N 15 124.981 0.000 . 1 . . . . . 32 ASP N . 27320 1 63 . 1 . 1 34 34 ASP H H 1 8.258 0.001 . 1 . . . . . 34 ASP H . 27320 1 64 . 1 . 1 34 34 ASP CA C 13 54.351 0.000 . 1 . . . . . 34 ASP CA . 27320 1 65 . 1 . 1 34 34 ASP CB C 13 40.828 0.000 . 1 . . . . . 34 ASP CB . 27320 1 66 . 1 . 1 34 34 ASP N N 15 118.794 0.000 . 1 . . . . . 34 ASP N . 27320 1 67 . 1 . 1 35 35 PHE H H 1 7.730 0.001 . 1 . . . . . 35 PHE H . 27320 1 68 . 1 . 1 35 35 PHE CA C 13 58.046 0.000 . 1 . . . . . 35 PHE CA . 27320 1 69 . 1 . 1 35 35 PHE CB C 13 39.899 0.000 . 1 . . . . . 35 PHE CB . 27320 1 70 . 1 . 1 35 35 PHE N N 15 120.261 0.024 . 1 . . . . . 35 PHE N . 27320 1 71 . 1 . 1 36 36 GLU H H 1 7.927 0.000 . 1 . . . . . 36 GLU H . 27320 1 72 . 1 . 1 36 36 GLU CA C 13 53.644 0.000 . 1 . . . . . 36 GLU CA . 27320 1 73 . 1 . 1 36 36 GLU CB C 13 30.364 0.000 . 1 . . . . . 36 GLU CB . 27320 1 74 . 1 . 1 36 36 GLU N N 15 125.209 0.006 . 1 . . . . . 36 GLU N . 27320 1 75 . 1 . 1 38 38 LEU H H 1 8.375 0.000 . 1 . . . . . 38 LEU H . 27320 1 76 . 1 . 1 38 38 LEU CA C 13 51.983 0.000 . 1 . . . . . 38 LEU CA . 27320 1 77 . 1 . 1 38 38 LEU CB C 13 41.234 0.000 . 1 . . . . . 38 LEU CB . 27320 1 78 . 1 . 1 38 38 LEU N N 15 126.618 0.002 . 1 . . . . . 38 LEU N . 27320 1 79 . 1 . 1 40 40 ARG H H 1 8.258 0.001 . 1 . . . . . 40 ARG H . 27320 1 80 . 1 . 1 40 40 ARG CA C 13 53.959 0.000 . 1 . . . . . 40 ARG CA . 27320 1 81 . 1 . 1 40 40 ARG CB C 13 30.070 0.000 . 1 . . . . . 40 ARG CB . 27320 1 82 . 1 . 1 40 40 ARG N N 15 122.325 0.014 . 1 . . . . . 40 ARG N . 27320 1 83 . 1 . 1 42 42 ARG H H 1 8.361 0.000 . 1 . . . . . 42 ARG H . 27320 1 84 . 1 . 1 42 42 ARG CA C 13 56.111 0.000 . 1 . . . . . 42 ARG CA . 27320 1 85 . 1 . 1 42 42 ARG CB C 13 30.814 0.000 . 1 . . . . . 42 ARG CB . 27320 1 86 . 1 . 1 42 42 ARG N N 15 121.518 0.641 . 1 . . . . . 42 ARG N . 27320 1 87 . 1 . 1 43 43 SEP H H 1 9.008 0.001 . 1 . . . . . 43 SER H . 27320 1 88 . 1 . 1 43 43 SEP CA C 13 58.123 0.000 . 1 . . . . . 43 SER CA . 27320 1 89 . 1 . 1 43 43 SEP CB C 13 65.561 0.000 . 1 . . . . . 43 SER CB . 27320 1 90 . 1 . 1 43 43 SEP N N 15 118.797 0.000 . 1 . . . . . 43 SER N . 27320 1 91 . 1 . 1 44 44 CYS H H 1 8.255 0.000 . 1 . . . . . 44 CYS H . 27320 1 92 . 1 . 1 44 44 CYS CA C 13 58.346 0.000 . 1 . . . . . 44 CYS CA . 27320 1 93 . 1 . 1 44 44 CYS CB C 13 27.928 0.000 . 1 . . . . . 44 CYS CB . 27320 1 94 . 1 . 1 44 44 CYS N N 15 120.416 0.000 . 1 . . . . . 44 CYS N . 27320 1 95 . 1 . 1 45 45 THR H H 1 7.936 0.000 . 1 . . . . . 45 THR H . 27320 1 96 . 1 . 1 45 45 THR CA C 13 61.679 0.000 . 1 . . . . . 45 THR CA . 27320 1 97 . 1 . 1 45 45 THR CB C 13 69.634 0.000 . 1 . . . . . 45 THR CB . 27320 1 98 . 1 . 1 45 45 THR N N 15 117.971 0.074 . 1 . . . . . 45 THR N . 27320 1 99 . 1 . 1 46 46 TRP H H 1 8.031 0.142 . 1 . . . . . 46 TRP H . 27320 1 100 . 1 . 1 46 46 TRP CA C 13 54.718 0.000 . 1 . . . . . 46 TRP CA . 27320 1 101 . 1 . 1 46 46 TRP CB C 13 29.154 0.000 . 1 . . . . . 46 TRP CB . 27320 1 102 . 1 . 1 46 46 TRP N N 15 123.823 0.151 . 1 . . . . . 46 TRP N . 27320 1 103 . 1 . 1 48 48 LEU H H 1 8.015 0.207 . 1 . . . . . 48 LEU H . 27320 1 104 . 1 . 1 48 48 LEU CA C 13 52.935 0.074 . 1 . . . . . 48 LEU CA . 27320 1 105 . 1 . 1 48 48 LEU CB C 13 41.711 0.169 . 1 . . . . . 48 LEU CB . 27320 1 106 . 1 . 1 48 48 LEU N N 15 123.424 0.253 . 1 . . . . . 48 LEU N . 27320 1 107 . 1 . 1 50 50 ARG H H 1 7.945 0.000 . 1 . . . . . 50 ARG H . 27320 1 108 . 1 . 1 50 50 ARG N N 15 123.050 0.000 . 1 . . . . . 50 ARG N . 27320 1 109 . 1 . 1 52 52 GLU H H 1 8.574 0.000 . 1 . . . . . 52 GLU H . 27320 1 110 . 1 . 1 52 52 GLU CA C 13 56.991 0.000 . 1 . . . . . 52 GLU CA . 27320 1 111 . 1 . 1 52 52 GLU CB C 13 29.810 0.000 . 1 . . . . . 52 GLU CB . 27320 1 112 . 1 . 1 52 52 GLU N N 15 120.663 0.008 . 1 . . . . . 52 GLU N . 27320 1 113 . 1 . 1 53 53 PHE H H 1 8.072 0.000 . 1 . . . . . 53 PHE H . 27320 1 114 . 1 . 1 53 53 PHE CA C 13 57.317 0.000 . 1 . . . . . 53 PHE CA . 27320 1 115 . 1 . 1 53 53 PHE CB C 13 39.436 0.000 . 1 . . . . . 53 PHE CB . 27320 1 116 . 1 . 1 53 53 PHE N N 15 120.601 0.002 . 1 . . . . . 53 PHE N . 27320 1 117 . 1 . 1 54 54 SER CA C 13 58.247 0.000 . 1 . . . . . 54 SER CA . 27320 1 118 . 1 . 1 54 54 SER CB C 13 63.851 0.000 . 1 . . . . . 54 SER CB . 27320 1 119 . 1 . 1 55 55 GLN H H 1 8.311 0.001 . 1 . . . . . 55 GLN H . 27320 1 120 . 1 . 1 55 55 GLN CA C 13 55.847 0.000 . 1 . . . . . 55 GLN CA . 27320 1 121 . 1 . 1 55 55 GLN CB C 13 29.368 0.000 . 1 . . . . . 55 GLN CB . 27320 1 122 . 1 . 1 55 55 GLN N N 15 122.337 0.009 . 1 . . . . . 55 GLN N . 27320 1 123 . 1 . 1 56 56 SER H H 1 8.240 0.001 . 1 . . . . . 56 SER H . 27320 1 124 . 1 . 1 56 56 SER CA C 13 58.457 0.000 . 1 . . . . . 56 SER CA . 27320 1 125 . 1 . 1 56 56 SER CB C 13 63.698 0.000 . 1 . . . . . 56 SER CB . 27320 1 126 . 1 . 1 56 56 SER N N 15 116.578 0.009 . 1 . . . . . 56 SER N . 27320 1 127 . 1 . 1 57 57 ASN CA C 13 53.161 0.000 . 1 . . . . . 57 ASN CA . 27320 1 128 . 1 . 1 57 57 ASN CB C 13 38.850 0.000 . 1 . . . . . 57 ASN CB . 27320 1 129 . 1 . 1 58 58 SER H H 1 8.177 0.000 . 1 . . . . . 58 SER H . 27320 1 130 . 1 . 1 58 58 SER CA C 13 58.472 0.000 . 1 . . . . . 58 SER CA . 27320 1 131 . 1 . 1 58 58 SER CB C 13 63.748 0.000 . 1 . . . . . 58 SER CB . 27320 1 132 . 1 . 1 58 58 SER N N 15 116.159 0.006 . 1 . . . . . 58 SER N . 27320 1 133 . 1 . 1 59 59 ALA H H 1 8.265 0.000 . 1 . . . . . 59 ALA H . 27320 1 134 . 1 . 1 59 59 ALA CA C 13 52.886 0.000 . 1 . . . . . 59 ALA CA . 27320 1 135 . 1 . 1 59 59 ALA CB C 13 19.189 0.000 . 1 . . . . . 59 ALA CB . 27320 1 136 . 1 . 1 59 59 ALA N N 15 125.791 0.007 . 1 . . . . . 59 ALA N . 27320 1 137 . 1 . 1 60 60 THR H H 1 7.981 0.000 . 1 . . . . . 60 THR H . 27320 1 138 . 1 . 1 60 60 THR CA C 13 61.609 0.000 . 1 . . . . . 60 THR CA . 27320 1 139 . 1 . 1 60 60 THR CB C 13 69.628 0.000 . 1 . . . . . 60 THR CB . 27320 1 140 . 1 . 1 60 60 THR N N 15 112.384 0.006 . 1 . . . . . 60 THR N . 27320 1 141 . 1 . 1 61 61 SER H H 1 8.124 0.000 . 1 . . . . . 61 SER H . 27320 1 142 . 1 . 1 61 61 SER CA C 13 58.321 0.000 . 1 . . . . . 61 SER CA . 27320 1 143 . 1 . 1 61 61 SER CB C 13 63.903 0.000 . 1 . . . . . 61 SER CB . 27320 1 144 . 1 . 1 61 61 SER N N 15 117.991 0.003 . 1 . . . . . 61 SER N . 27320 1 145 . 1 . 1 62 62 SER H H 1 8.238 0.001 . 1 . . . . . 62 SER H . 27320 1 146 . 1 . 1 62 62 SER CA C 13 56.501 0.000 . 1 . . . . . 62 SER CA . 27320 1 147 . 1 . 1 62 62 SER CB C 13 63.366 0.000 . 1 . . . . . 62 SER CB . 27320 1 148 . 1 . 1 62 62 SER N N 15 118.940 0.006 . 1 . . . . . 62 SER N . 27320 1 149 . 1 . 1 64 64 ALA H H 1 8.313 0.000 . 1 . . . . . 64 ALA H . 27320 1 150 . 1 . 1 64 64 ALA CA C 13 50.299 0.000 . 1 . . . . . 64 ALA CA . 27320 1 151 . 1 . 1 64 64 ALA CB C 13 18.031 0.000 . 1 . . . . . 64 ALA CB . 27320 1 152 . 1 . 1 64 64 ALA N N 15 126.002 0.004 . 1 . . . . . 64 ALA N . 27320 1 153 . 1 . 1 66 66 SER CA C 13 58.389 0.000 . 1 . . . . . 66 SER CA . 27320 1 154 . 1 . 1 66 66 SER CB C 13 64.194 0.000 . 1 . . . . . 66 SER CB . 27320 1 155 . 1 . 1 66 66 SER N N 15 116.220 0.010 . 1 . . . . . 66 SER N . 27320 1 156 . 1 . 1 67 67 GLY H H 1 7.908 0.000 . 1 . . . . . 67 GLY H . 27320 1 157 . 1 . 1 67 67 GLY CA C 13 46.074 0.000 . 1 . . . . . 67 GLY CA . 27320 1 158 . 1 . 1 67 67 GLY N N 15 116.922 0.000 . 1 . . . . . 67 GLY N . 27320 1 stop_ save_