################################### # 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 17631 _Assigned_chem_shift_list.ID 1 _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 1 '2D 1H-15N HSQC' . . . 17631 1 2 '3D HNCA' . . . 17631 1 3 '3D HNCACB' . . . 17631 1 4 '3D HNCO' . . . 17631 1 5 '3D HN(CO)CA' . . . 17631 1 6 '3D CBCA(CO)NH' . . . 17631 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 GLU CA C 13 56.1 0.1 . 1 . . . . 116 GLU CA . 17631 1 2 . 1 1 3 3 THR H H 1 8.316 0.01 . 1 . . . . 117 THR H . 17631 1 3 . 1 1 3 3 THR CA C 13 62 0.1 . 1 . . . . 117 THR CA . 17631 1 4 . 1 1 3 3 THR N N 15 117.017 0.2 . 1 . . . . 117 THR N . 17631 1 5 . 1 1 4 4 LYS H H 1 7.8 0.01 . 1 . . . . 118 LYS H . 17631 1 6 . 1 1 4 4 LYS CA C 13 56 0.1 . 1 . . . . 118 LYS CA . 17631 1 7 . 1 1 4 4 LYS N N 15 116.882 0.2 . 1 . . . . 118 LYS N . 17631 1 8 . 1 1 5 5 LYS H H 1 7.304 0.01 . 1 . . . . 119 LYS H . 17631 1 9 . 1 1 5 5 LYS CA C 13 58.3 0.1 . 1 . . . . 119 LYS CA . 17631 1 10 . 1 1 5 5 LYS N N 15 118.114 0.2 . 1 . . . . 119 LYS N . 17631 1 11 . 1 1 6 6 LEU H H 1 7.585 0.01 . 1 . . . . 120 LEU H . 17631 1 12 . 1 1 6 6 LEU N N 15 118.665 0.2 . 1 . . . . 120 LEU N . 17631 1 13 . 1 1 7 7 ASP H H 1 8.25 0.01 . 1 . . . . 121 ASP H . 17631 1 14 . 1 1 7 7 ASP CA C 13 55.37 0.1 . 1 . . . . 121 ASP CA . 17631 1 15 . 1 1 7 7 ASP N N 15 121.5 0.2 . 1 . . . . 121 ASP N . 17631 1 16 . 1 1 8 8 SER H H 1 8.079 0.01 . 1 . . . . 122 SER H . 17631 1 17 . 1 1 8 8 SER CA C 13 58.27 0.1 . 1 . . . . 122 SER CA . 17631 1 18 . 1 1 8 8 SER N N 15 115.272 0.2 . 1 . . . . 122 SER N . 17631 1 19 . 1 1 9 9 ASP H H 1 8.232 0.01 . 1 . . . . 123 ASP H . 17631 1 20 . 1 1 9 9 ASP CA C 13 59 0.1 . 1 . . . . 123 ASP CA . 17631 1 21 . 1 1 9 9 ASP N N 15 122.002 0.2 . 1 . . . . 123 ASP N . 17631 1 22 . 1 1 10 10 GLN CA C 13 55.3 0.1 . 1 . . . . 124 GLN CA . 17631 1 23 . 1 1 11 11 LYS CA C 13 54.3 0.1 . 1 . . . . 125 LYS CA . 17631 1 24 . 1 1 14 14 ARG H H 1 8.109 0.01 . 1 . . . . 128 ARG H . 17631 1 25 . 1 1 14 14 ARG CA C 13 56.2 0.1 . 1 . . . . 128 ARG CA . 17631 1 26 . 1 1 14 14 ARG N N 15 122.565 0.2 . 1 . . . . 128 ARG N . 17631 1 27 . 1 1 15 15 SER H H 1 7.875 0.01 . 1 . . . . 129 SER H . 17631 1 28 . 1 1 15 15 SER C C 13 174.69 0.1 . 1 . . . . 129 SER C . 17631 1 29 . 1 1 15 15 SER CA C 13 58.62 0.1 . 1 . . . . 129 SER CA . 17631 1 30 . 1 1 15 15 SER N N 15 116.198 0.2 . 1 . . . . 129 SER N . 17631 1 31 . 1 1 16 16 LYS H H 1 8.109 0.01 . 1 . . . . 130 LYS H . 17631 1 32 . 1 1 16 16 LYS CA C 13 56.2 0.1 . 1 . . . . 130 LYS CA . 17631 1 33 . 1 1 16 16 LYS N N 15 122.565 0.2 . 1 . . . . 130 LYS N . 17631 1 34 . 1 1 17 17 ASP H H 1 8.089 0.01 . 1 . . . . 131 ASP H . 17631 1 35 . 1 1 17 17 ASP C C 13 177.154 0.1 . 1 . . . . 131 ASP C . 17631 1 36 . 1 1 17 17 ASP CA C 13 53.928 0.1 . 1 . . . . 131 ASP CA . 17631 1 37 . 1 1 17 17 ASP N N 15 121.483 0.2 . 1 . . . . 131 ASP N . 17631 1 38 . 1 1 18 18 LYS H H 1 8.482 0.01 . 1 . . . . 132 LYS H . 17631 1 39 . 1 1 18 18 LYS C C 13 177.267 0.1 . 1 . . . . 132 LYS C . 17631 1 40 . 1 1 18 18 LYS CA C 13 57.708 0.1 . 1 . . . . 132 LYS CA . 17631 1 41 . 1 1 18 18 LYS N N 15 124.354 0.2 . 1 . . . . 132 LYS N . 17631 1 42 . 1 1 19 19 ASN H H 1 8.464 0.01 . 1 . . . . 133 ASN H . 17631 1 43 . 1 1 19 19 ASN C C 13 175.031 0.1 . 1 . . . . 133 ASN C . 17631 1 44 . 1 1 19 19 ASN CA C 13 53.78 0.1 . 1 . . . . 133 ASN CA . 17631 1 45 . 1 1 19 19 ASN N N 15 116.624 0.2 . 1 . . . . 133 ASN N . 17631 1 46 . 1 1 20 20 GLN H H 1 8.05 0.01 . 1 . . . . 134 GLN H . 17631 1 47 . 1 1 20 20 GLN C C 13 175.705 0.1 . 1 . . . . 134 GLN C . 17631 1 48 . 1 1 20 20 GLN CA C 13 56.6 0.1 . 1 . . . . 134 GLN CA . 17631 1 49 . 1 1 20 20 GLN N N 15 117.299 0.2 . 1 . . . . 134 GLN N . 17631 1 50 . 1 1 21 21 CYS H H 1 8.016 0.01 . 1 . . . . 135 CYS H . 17631 1 51 . 1 1 21 21 CYS C C 13 175.705 0.1 . 1 . . . . 135 CYS C . 17631 1 52 . 1 1 21 21 CYS CA C 13 56.557 0.1 . 1 . . . . 135 CYS CA . 17631 1 53 . 1 1 21 21 CYS N N 15 117.809 0.2 . 1 . . . . 135 CYS N . 17631 1 54 . 1 1 22 22 CYS H H 1 8.291 0.01 . 1 . . . . 136 CYS H . 17631 1 55 . 1 1 22 22 CYS C C 13 172.04 0.1 . 1 . . . . 136 CYS C . 17631 1 56 . 1 1 22 22 CYS CA C 13 55.407 0.1 . 1 . . . . 136 CYS CA . 17631 1 57 . 1 1 22 22 CYS N N 15 127.837 0.2 . 1 . . . . 136 CYS N . 17631 1 58 . 1 1 23 23 PRO C C 13 63.701 0.1 . 1 . . . . 137 PRO C . 17631 1 59 . 1 1 24 24 ILE C C 13 177.46 0.1 . 1 . . . . 138 ILE C . 17631 1 60 . 1 1 24 24 ILE CA C 13 63.087 0.1 . 1 . . . . 138 ILE CA . 17631 1 61 . 1 1 25 25 CYS H H 1 8.635 0.01 . 1 . . . . 139 CYS H . 17631 1 62 . 1 1 25 25 CYS C C 13 175.12 0.1 . 1 . . . . 139 CYS C . 17631 1 63 . 1 1 25 25 CYS CA C 13 60.2 0.1 . 1 . . . . 139 CYS CA . 17631 1 64 . 1 1 25 25 CYS N N 15 121.55 0.2 . 1 . . . . 139 CYS N . 17631 1 65 . 1 1 26 26 ASN H H 1 7.931 0.01 . 1 . . . . 140 ASN H . 17631 1 66 . 1 1 26 26 ASN C C 13 173.49 0.1 . 1 . . . . 140 ASN C . 17631 1 67 . 1 1 26 26 ASN CA C 13 53.75 0.1 . 1 . . . . 140 ASN CA . 17631 1 68 . 1 1 26 26 ASN N N 15 117.079 0.2 . 1 . . . . 140 ASN N . 17631 1 69 . 1 1 27 27 MET H H 1 6.993 0.01 . 1 . . . . 141 MET H . 17631 1 70 . 1 1 27 27 MET C C 13 173.53 0.1 . 1 . . . . 141 MET C . 17631 1 71 . 1 1 27 27 MET CA C 13 54.08 0.1 . 1 . . . . 141 MET CA . 17631 1 72 . 1 1 27 27 MET N N 15 115.263 0.2 . 1 . . . . 141 MET N . 17631 1 73 . 1 1 28 28 THR H H 1 7.852 0.01 . 1 . . . . 142 THR H . 17631 1 74 . 1 1 28 28 THR C C 13 172.77 0.1 . 1 . . . . 142 THR C . 17631 1 75 . 1 1 28 28 THR CA C 13 59.905 0.1 . 1 . . . . 142 THR CA . 17631 1 76 . 1 1 28 28 THR N N 15 114.426 0.2 . 1 . . . . 142 THR N . 17631 1 77 . 1 1 29 29 PHE H H 1 7.703 0.01 . 1 . . . . 143 PHE H . 17631 1 78 . 1 1 29 29 PHE C C 13 172.77 0.1 . 1 . . . . 143 PHE C . 17631 1 79 . 1 1 29 29 PHE CA C 13 59.92 0.1 . 1 . . . . 143 PHE CA . 17631 1 80 . 1 1 29 29 PHE N N 15 119.726 0.2 . 1 . . . . 143 PHE N . 17631 1 81 . 1 1 30 30 SER H H 1 8.138 0.01 . 1 . . . . 144 SER H . 17631 1 82 . 1 1 30 30 SER C C 13 173.752 0.1 . 1 . . . . 144 SER C . 17631 1 83 . 1 1 30 30 SER CA C 13 58.924 0.1 . 1 . . . . 144 SER CA . 17631 1 84 . 1 1 30 30 SER N N 15 122.297 0.2 . 1 . . . . 144 SER N . 17631 1 85 . 1 1 31 31 SER H H 1 7.251 0.01 . 1 . . . . 145 SER H . 17631 1 86 . 1 1 31 31 SER CA C 13 55.52 0.1 . 1 . . . . 145 SER CA . 17631 1 87 . 1 1 31 31 SER N N 15 114.651 0.2 . 1 . . . . 145 SER N . 17631 1 88 . 1 1 32 32 PRO CA C 13 64.401 0.1 . 1 . . . . 146 PRO CA . 17631 1 89 . 1 1 33 33 VAL H H 1 7.456 0.01 . 1 . . . . 147 VAL H . 17631 1 90 . 1 1 33 33 VAL CA C 13 65.203 0.1 . 1 . . . . 147 VAL CA . 17631 1 91 . 1 1 33 33 VAL N N 15 117.972 0.2 . 1 . . . . 147 VAL N . 17631 1 92 . 1 1 34 34 VAL H H 1 6.989 0.01 . 1 . . . . 148 VAL H . 17631 1 93 . 1 1 34 34 VAL C C 13 178.662 0.1 . 1 . . . . 148 VAL C . 17631 1 94 . 1 1 34 34 VAL CA C 13 65.303 0.1 . 1 . . . . 148 VAL CA . 17631 1 95 . 1 1 34 34 VAL N N 15 121.68 0.2 . 1 . . . . 148 VAL N . 17631 1 96 . 1 1 35 35 ALA H H 1 7.386 0.01 . 1 . . . . 149 ALA H . 17631 1 97 . 1 1 35 35 ALA C C 13 177.842 0.1 . 1 . . . . 149 ALA C . 17631 1 98 . 1 1 35 35 ALA CA C 13 54.508 0.1 . 1 . . . . 149 ALA CA . 17631 1 99 . 1 1 35 35 ALA N N 15 123.545 0.2 . 1 . . . . 149 ALA N . 17631 1 100 . 1 1 36 36 GLN H H 1 7.913 0.01 . 1 . . . . 150 GLN H . 17631 1 101 . 1 1 36 36 GLN C C 13 178.662 0.1 . 1 . . . . 150 GLN C . 17631 1 102 . 1 1 36 36 GLN CA C 13 59.106 0.1 . 1 . . . . 150 GLN CA . 17631 1 103 . 1 1 36 36 GLN N N 15 115.515 0.2 . 1 . . . . 150 GLN N . 17631 1 104 . 1 1 37 37 SER H H 1 7.406 0.01 . 1 . . . . 151 SER H . 17631 1 105 . 1 1 37 37 SER C C 13 177.172 0.1 . 1 . . . . 151 SER C . 17631 1 106 . 1 1 37 37 SER CA C 13 61.301 0.1 . 1 . . . . 151 SER CA . 17631 1 107 . 1 1 37 37 SER N N 15 112.625 0.2 . 1 . . . . 151 SER N . 17631 1 108 . 1 1 38 38 HIS H H 1 7.682 0.01 . 1 . . . . 152 HIS H . 17631 1 109 . 1 1 38 38 HIS C C 13 178.603 0.1 . 1 . . . . 152 HIS C . 17631 1 110 . 1 1 38 38 HIS CA C 13 60.108 0.1 . 1 . . . . 152 HIS CA . 17631 1 111 . 1 1 38 38 HIS N N 15 121.559 0.2 . 1 . . . . 152 HIS N . 17631 1 112 . 1 1 39 39 TYR H H 1 7.64 0.01 . 1 . . . . 153 TYR H . 17631 1 113 . 1 1 39 39 TYR C C 13 176.723 0.1 . 1 . . . . 153 TYR C . 17631 1 114 . 1 1 39 39 TYR CA C 13 61.5 0.1 . 1 . . . . 153 TYR CA . 17631 1 115 . 1 1 39 39 TYR N N 15 116.921 0.2 . 1 . . . . 153 TYR N . 17631 1 116 . 1 1 40 40 LEU H H 1 7.157 0.01 . 1 . . . . 154 LEU H . 17631 1 117 . 1 1 40 40 LEU C C 13 177.732 0.1 . 1 . . . . 154 LEU C . 17631 1 118 . 1 1 40 40 LEU CA C 13 61.5 0.1 . 1 . . . . 154 LEU CA . 17631 1 119 . 1 1 40 40 LEU N N 15 118.895 0.2 . 1 . . . . 154 LEU N . 17631 1 120 . 1 1 41 41 GLY H H 1 7.358 0.01 . 1 . . . . 155 GLY H . 17631 1 121 . 1 1 41 41 GLY C C 13 175.383 0.1 . 1 . . . . 155 GLY C . 17631 1 122 . 1 1 41 41 GLY CA C 13 44.963 0.1 . 1 . . . . 155 GLY CA . 17631 1 123 . 1 1 41 41 GLY N N 15 106.691 0.2 . 1 . . . . 155 GLY N . 17631 1 124 . 1 1 42 42 LYS H H 1 8.364 0.01 . 1 . . . . 156 LYS H . 17631 1 125 . 1 1 42 42 LYS CA C 13 57 0.1 . 1 . . . . 156 LYS CA . 17631 1 126 . 1 1 42 42 LYS N N 15 117.914 0.2 . 1 . . . . 156 LYS N . 17631 1 127 . 1 1 43 43 THR C C 13 175.25 0.1 . 1 . . . . 157 THR C . 17631 1 128 . 1 1 43 43 THR CA C 13 67.005 0.1 . 1 . . . . 157 THR CA . 17631 1 129 . 1 1 44 44 HIS H H 1 8.579 0.01 . 1 . . . . 158 HIS H . 17631 1 130 . 1 1 44 44 HIS C C 13 175.253 0.1 . 1 . . . . 158 HIS C . 17631 1 131 . 1 1 44 44 HIS CA C 13 60.2 0.1 . 1 . . . . 158 HIS CA . 17631 1 132 . 1 1 44 44 HIS N N 15 121.201 0.2 . 1 . . . . 158 HIS N . 17631 1 133 . 1 1 45 45 ALA H H 1 7.008 0.01 . 1 . . . . 159 ALA H . 17631 1 134 . 1 1 45 45 ALA CA C 13 55.108 0.1 . 1 . . . . 159 ALA CA . 17631 1 135 . 1 1 45 45 ALA N N 15 117.893 0.2 . 1 . . . . 159 ALA N . 17631 1 136 . 1 1 46 46 LYS H H 1 7.842 0.01 . 1 . . . . 160 LYS H . 17631 1 137 . 1 1 46 46 LYS CA C 13 58.924 0.1 . 1 . . . . 160 LYS CA . 17631 1 138 . 1 1 46 46 LYS N N 15 118.471 0.2 . 1 . . . . 160 LYS N . 17631 1 139 . 1 1 47 47 ASN H H 1 7.842 0.01 . 1 . . . . 161 ASN H . 17631 1 140 . 1 1 47 47 ASN CA C 13 58.924 0.1 . 1 . . . . 161 ASN CA . 17631 1 141 . 1 1 47 47 ASN N N 15 118.433 0.2 . 1 . . . . 161 ASN N . 17631 1 142 . 1 1 48 48 LEU H H 1 8.192 0.01 . 1 . . . . 162 LEU H . 17631 1 143 . 1 1 48 48 LEU C C 13 176.43 0.1 . 1 . . . . 162 LEU C . 17631 1 144 . 1 1 48 48 LEU CA C 13 54.4 0.1 . 1 . . . . 162 LEU CA . 17631 1 145 . 1 1 48 48 LEU N N 15 122.275 0.2 . 1 . . . . 162 LEU N . 17631 1 146 . 1 1 49 49 LYS H H 1 8.153 0.01 . 1 . . . . 163 LYS H . 17631 1 147 . 1 1 49 49 LYS CA C 13 56.218 0.1 . 1 . . . . 163 LYS CA . 17631 1 148 . 1 1 49 49 LYS N N 15 120.333 0.2 . 1 . . . . 163 LYS N . 17631 1 149 . 1 1 50 50 LEU H H 1 8.2 0.01 . 1 . . . . 164 LEU H . 17631 1 150 . 1 1 50 50 LEU CA C 13 54.4 0.1 . 1 . . . . 164 LEU CA . 17631 1 151 . 1 1 50 50 LEU N N 15 121.3 0.2 . 1 . . . . 164 LEU N . 17631 1 152 . 1 1 51 51 LYS H H 1 7.714 0.01 . 1 . . . . 165 LYS H . 17631 1 153 . 1 1 51 51 LYS C C 13 177.41 0.1 . 1 . . . . 165 LYS C . 17631 1 154 . 1 1 51 51 LYS CA C 13 56.922 0.1 . 1 . . . . 165 LYS CA . 17631 1 155 . 1 1 51 51 LYS N N 15 119.092 0.2 . 1 . . . . 165 LYS N . 17631 1 156 . 1 1 52 52 GLN H H 1 7.885 0.01 . 1 . . . . 166 GLN H . 17631 1 157 . 1 1 52 52 GLN C C 13 176.21 0.1 . 1 . . . . 166 GLN C . 17631 1 158 . 1 1 52 52 GLN CA C 13 56.511 0.1 . 1 . . . . 166 GLN CA . 17631 1 159 . 1 1 52 52 GLN N N 15 119.243 0.2 . 1 . . . . 166 GLN N . 17631 1 160 . 1 1 53 53 GLN H H 1 7.995 0.01 . 1 . . . . 167 GLN H . 17631 1 161 . 1 1 53 53 GLN C C 13 175.742 0.1 . 1 . . . . 167 GLN C . 17631 1 162 . 1 1 53 53 GLN CA C 13 55.926 0.1 . 1 . . . . 167 GLN CA . 17631 1 163 . 1 1 53 53 GLN N N 15 119.671 0.2 . 1 . . . . 167 GLN N . 17631 1 164 . 1 1 54 54 SER H H 1 8.083 0.01 . 1 . . . . 168 SER H . 17631 1 165 . 1 1 54 54 SER C C 13 173.69 0.1 . 1 . . . . 168 SER C . 17631 1 166 . 1 1 54 54 SER CA C 13 58.293 0.1 . 1 . . . . 168 SER CA . 17631 1 167 . 1 1 54 54 SER N N 15 116.927 0.2 . 1 . . . . 168 SER N . 17631 1 168 . 1 1 55 55 THR H H 1 7.677 0.01 . 1 . . . . 169 THR H . 17631 1 169 . 1 1 55 55 THR CA C 13 63.3 0.1 . 1 . . . . 169 THR CA . 17631 1 170 . 1 1 55 55 THR N N 15 120.746 0.2 . 1 . . . . 169 THR N . 17631 1 stop_ save_