################################### # 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 26864 _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' . . . 26864 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 6 6 GLY H H 1 8.80 . . 1 . . . . 1097 GLY H . 26864 1 2 . 1 1 6 6 GLY N N 15 111.20 . . 1 . . . . 1097 GLY N . 26864 1 3 . 1 1 7 7 LEU H H 1 7.47 . . 1 . . . . 1098 LEU H . 26864 1 4 . 1 1 7 7 LEU N N 15 122.43 . . 1 . . . . 1098 LEU N . 26864 1 5 . 1 1 8 8 ARG H H 1 8.92 . . 1 . . . . 1099 ARG H . 26864 1 6 . 1 1 8 8 ARG N N 15 122.50 . . 1 . . . . 1099 ARG N . 26864 1 7 . 1 1 9 9 GLU H H 1 8.60 . . 1 . . . . 1100 GLU H . 26864 1 8 . 1 1 9 9 GLU N N 15 123.69 . . 1 . . . . 1100 GLU N . 26864 1 9 . 1 1 10 10 LEU H H 1 9.16 . . 1 . . . . 1101 LEU H . 26864 1 10 . 1 1 10 10 LEU N N 15 126.01 . . 1 . . . . 1101 LEU N . 26864 1 11 . 1 1 12 12 ILE H H 1 9.33 . . 1 . . . . 1103 ILE H . 26864 1 12 . 1 1 12 12 ILE N N 15 130.20 . . 1 . . . . 1103 ILE N . 26864 1 13 . 1 1 13 13 GLN H H 1 8.62 . . 1 . . . . 1104 GLN H . 26864 1 14 . 1 1 13 13 GLN N N 15 126.29 . . 1 . . . . 1104 GLN N . 26864 1 15 . 1 1 14 14 LYS H H 1 8.87 . . 1 . . . . 1105 LYS H . 26864 1 16 . 1 1 14 14 LYS N N 15 123.38 . . 1 . . . . 1105 LYS N . 26864 1 17 . 1 1 15 15 ALA H H 1 9.11 . . 1 . . . . 1106 ALA H . 26864 1 18 . 1 1 15 15 ALA N N 15 126.76 . . 1 . . . . 1106 ALA N . 26864 1 19 . 1 1 17 17 GLY H H 1 8.81 . . 1 . . . . 1108 GLY H . 26864 1 20 . 1 1 17 17 GLY N N 15 112.47 . . 1 . . . . 1108 GLY N . 26864 1 21 . 1 1 18 18 GLU H H 1 7.96 . . 1 . . . . 1109 GLU H . 26864 1 22 . 1 1 18 18 GLU N N 15 122.26 . . 1 . . . . 1109 GLU N . 26864 1 23 . 1 1 19 19 ARG H H 1 8.58 . . 1 . . . . 1110 ARG H . 26864 1 24 . 1 1 19 19 ARG N N 15 122.90 . . 1 . . . . 1110 ARG N . 26864 1 25 . 1 1 20 20 LEU H H 1 9.99 . . 1 . . . . 1111 LEU H . 26864 1 26 . 1 1 20 20 LEU N N 15 124.12 . . 1 . . . . 1111 LEU N . 26864 1 27 . 1 1 21 21 GLY H H 1 10.01 . . 1 . . . . 1112 GLY H . 26864 1 28 . 1 1 21 21 GLY N N 15 107.33 . . 1 . . . . 1112 GLY N . 26864 1 29 . 1 1 22 22 ILE H H 1 7.71 . . 1 . . . . 1113 ILE H . 26864 1 30 . 1 1 22 22 ILE N N 15 112.92 . . 1 . . . . 1113 ILE N . 26864 1 31 . 1 1 23 23 SER H H 1 8.47 . . 1 . . . . 1114 SER H . 26864 1 32 . 1 1 23 23 SER N N 15 116.37 . . 1 . . . . 1114 SER N . 26864 1 33 . 1 1 24 24 ILE H H 1 9.24 . . 1 . . . . 1115 ILE H . 26864 1 34 . 1 1 24 24 ILE N N 15 116.93 . . 1 . . . . 1115 ILE N . 26864 1 35 . 1 1 25 25 ARG H H 1 9.36 . . 1 . . . . 1116 ARG H . 26864 1 36 . 1 1 25 25 ARG N N 15 120.06 . . 1 . . . . 1116 ARG N . 26864 1 37 . 1 1 26 26 GLY H H 1 8.83 . . 1 . . . . 1117 GLY H . 26864 1 38 . 1 1 26 26 GLY N N 15 109.85 . . 1 . . . . 1117 GLY N . 26864 1 39 . 1 1 27 27 GLY H H 1 7.35 . . 1 . . . . 1118 GLY H . 26864 1 40 . 1 1 27 27 GLY N N 15 106.88 . . 1 . . . . 1118 GLY N . 26864 1 41 . 1 1 29 29 ARG H H 1 8.86 . . 1 . . . . 1120 ARG H . 26864 1 42 . 1 1 29 29 ARG N N 15 119.45 . . 1 . . . . 1120 ARG N . 26864 1 43 . 1 1 30 30 GLY H H 1 8.16 . . 1 . . . . 1121 GLY H . 26864 1 44 . 1 1 30 30 GLY N N 15 107.83 . . 1 . . . . 1121 GLY N . 26864 1 45 . 1 1 32 32 ALA H H 1 8.43 . . 1 . . . . 1123 ALA H . 26864 1 46 . 1 1 32 32 ALA N N 15 124.77 . . 1 . . . . 1123 ALA N . 26864 1 47 . 1 1 33 33 GLY H H 1 8.78 . . 1 . . . . 1124 GLY H . 26864 1 48 . 1 1 33 33 GLY N N 15 109.69 . . 1 . . . . 1124 GLY N . 26864 1 49 . 1 1 34 34 ASN H H 1 8.49 . . 1 . . . . 1125 ASN H . 26864 1 50 . 1 1 34 34 ASN N N 15 119.24 . . 1 . . . . 1125 ASN N . 26864 1 51 . 1 1 36 36 ARG H H 1 8.06 . . 1 . . . . 1127 ARG H . 26864 1 52 . 1 1 36 36 ARG N N 15 117.29 . . 1 . . . . 1127 ARG N . 26864 1 53 . 1 1 37 37 ASP H H 1 7.73 . . 1 . . . . 1128 ASP H . 26864 1 54 . 1 1 37 37 ASP N N 15 119.01 . . 1 . . . . 1128 ASP N . 26864 1 55 . 1 1 39 39 THR H H 1 8.27 . . 1 . . . . 1130 THR H . 26864 1 56 . 1 1 39 39 THR N N 15 111.75 . . 1 . . . . 1130 THR N . 26864 1 57 . 1 1 40 40 ASP H H 1 7.87 . . 1 . . . . 1131 ASP H . 26864 1 58 . 1 1 40 40 ASP N N 15 122.65 . . 1 . . . . 1131 ASP N . 26864 1 59 . 1 1 41 41 GLU H H 1 8.59 . . 1 . . . . 1132 GLU H . 26864 1 60 . 1 1 41 41 GLU N N 15 124.52 . . 1 . . . . 1132 GLU N . 26864 1 61 . 1 1 42 42 GLY H H 1 8.66 . . 1 . . . . 1133 GLY H . 26864 1 62 . 1 1 42 42 GLY N N 15 107.85 . . 1 . . . . 1133 GLY N . 26864 1 63 . 1 1 43 43 ILE H H 1 8.38 . . 1 . . . . 1134 ILE H . 26864 1 64 . 1 1 43 43 ILE N N 15 119.62 . . 1 . . . . 1134 ILE N . 26864 1 65 . 1 1 44 44 PHE H H 1 8.78 . . 1 . . . . 1135 PHE H . 26864 1 66 . 1 1 44 44 PHE N N 15 123.16 . . 1 . . . . 1135 PHE N . 26864 1 67 . 1 1 45 45 ILE H H 1 8.79 . . 1 . . . . 1136 ILE H . 26864 1 68 . 1 1 45 45 ILE N N 15 120.10 . . 1 . . . . 1136 ILE N . 26864 1 69 . 1 1 46 46 SER H H 1 9.61 . . 1 . . . . 1137 SER H . 26864 1 70 . 1 1 46 46 SER N N 15 126.13 . . 1 . . . . 1137 SER N . 26864 1 71 . 1 1 47 47 LYS H H 1 7.28 . . 1 . . . . 1138 LYS H . 26864 1 72 . 1 1 47 47 LYS N N 15 123.43 . . 1 . . . . 1138 LYS N . 26864 1 73 . 1 1 48 48 VAL H H 1 8.64 . . 1 . . . . 1139 VAL H . 26864 1 74 . 1 1 48 48 VAL N N 15 123.46 . . 1 . . . . 1139 VAL N . 26864 1 75 . 1 1 49 49 SER H H 1 8.68 . . 1 . . . . 1140 SER H . 26864 1 76 . 1 1 49 49 SER N N 15 123.37 . . 1 . . . . 1140 SER N . 26864 1 77 . 1 1 51 51 THR H H 1 7.54 . . 1 . . . . 1142 THR H . 26864 1 78 . 1 1 51 51 THR N N 15 104.37 . . 1 . . . . 1142 THR N . 26864 1 79 . 1 1 52 52 GLY H H 1 7.24 . . 1 . . . . 1143 GLY H . 26864 1 80 . 1 1 52 52 GLY N N 15 110.12 . . 1 . . . . 1143 GLY N . 26864 1 81 . 1 1 53 53 ALA H H 1 8.52 . . 1 . . . . 1144 ALA H . 26864 1 82 . 1 1 53 53 ALA N N 15 120.54 . . 1 . . . . 1144 ALA N . 26864 1 83 . 1 1 54 54 ALA H H 1 8.97 . . 1 . . . . 1145 ALA H . 26864 1 84 . 1 1 54 54 ALA N N 15 118.64 . . 1 . . . . 1145 ALA N . 26864 1 85 . 1 1 55 55 GLY H H 1 9.44 . . 1 . . . . 1146 GLY H . 26864 1 86 . 1 1 55 55 GLY N N 15 113.04 . . 1 . . . . 1146 GLY N . 26864 1 87 . 1 1 56 56 ARG H H 1 8.17 . . 1 . . . . 1147 ARG H . 26864 1 88 . 1 1 56 56 ARG N N 15 121.20 . . 1 . . . . 1147 ARG N . 26864 1 89 . 1 1 57 57 ASP H H 1 7.69 . . 1 . . . . 1148 ASP H . 26864 1 90 . 1 1 57 57 ASP N N 15 118.87 . . 1 . . . . 1148 ASP N . 26864 1 91 . 1 1 58 58 GLY H H 1 7.69 . . 1 . . . . 1149 GLY H . 26864 1 92 . 1 1 58 58 GLY N N 15 102.87 . . 1 . . . . 1149 GLY N . 26864 1 93 . 1 1 59 59 ARG H H 1 8.00 . . 1 . . . . 1150 ARG H . 26864 1 94 . 1 1 59 59 ARG N N 15 119.25 . . 1 . . . . 1150 ARG N . 26864 1 95 . 1 1 60 60 LEU H H 1 9.11 . . 1 . . . . 1151 LEU H . 26864 1 96 . 1 1 60 60 LEU N N 15 119.36 . . 1 . . . . 1151 LEU N . 26864 1 97 . 1 1 61 61 ARG H H 1 6.32 . . 1 . . . . 1152 ARG H . 26864 1 98 . 1 1 61 61 ARG N N 15 115.19 . . 1 . . . . 1152 ARG N . 26864 1 99 . 1 1 63 63 GLY H H 1 8.99 . . 1 . . . . 1154 GLY H . 26864 1 100 . 1 1 63 63 GLY N N 15 114.90 . . 1 . . . . 1154 GLY N . 26864 1 101 . 1 1 64 64 LEU H H 1 7.06 . . 1 . . . . 1155 LEU H . 26864 1 102 . 1 1 64 64 LEU N N 15 116.53 . . 1 . . . . 1155 LEU N . 26864 1 103 . 1 1 66 66 LEU H H 1 8.49 . . 1 . . . . 1157 LEU H . 26864 1 104 . 1 1 66 66 LEU N N 15 125.71 . . 1 . . . . 1157 LEU N . 26864 1 105 . 1 1 67 67 LEU H H 1 8.90 . . 1 . . . . 1158 LEU H . 26864 1 106 . 1 1 67 67 LEU N N 15 122.90 . . 1 . . . . 1158 LEU N . 26864 1 107 . 1 1 68 68 GLU H H 1 7.53 . . 1 . . . . 1159 GLU H . 26864 1 108 . 1 1 68 68 GLU N N 15 116.56 . . 1 . . . . 1159 GLU N . 26864 1 109 . 1 1 69 69 VAL H H 1 8.40 . . 1 . . . . 1160 VAL H . 26864 1 110 . 1 1 69 69 VAL N N 15 120.29 . . 1 . . . . 1160 VAL N . 26864 1 111 . 1 1 70 70 ASN H H 1 9.93 . . 1 . . . . 1161 ASN H . 26864 1 112 . 1 1 70 70 ASN N N 15 129.86 . . 1 . . . . 1161 ASN N . 26864 1 113 . 1 1 71 71 GLN H H 1 9.19 . . 1 . . . . 1162 GLN H . 26864 1 114 . 1 1 71 71 GLN N N 15 107.56 . . 1 . . . . 1162 GLN N . 26864 1 115 . 1 1 72 72 GLN H H 1 7.89 . . 1 . . . . 1163 GLN H . 26864 1 116 . 1 1 72 72 GLN N N 15 111.54 . . 1 . . . . 1163 GLN N . 26864 1 117 . 1 1 73 73 SER H H 1 8.71 . . 1 . . . . 1164 SER H . 26864 1 118 . 1 1 73 73 SER N N 15 118.28 . . 1 . . . . 1164 SER N . 26864 1 119 . 1 1 74 74 LEU H H 1 8.08 . . 1 . . . . 1165 LEU H . 26864 1 120 . 1 1 74 74 LEU N N 15 124.87 . . 1 . . . . 1165 LEU N . 26864 1 121 . 1 1 75 75 LEU H H 1 8.13 . . 1 . . . . 1166 LEU H . 26864 1 122 . 1 1 75 75 LEU N N 15 123.13 . . 1 . . . . 1166 LEU N . 26864 1 123 . 1 1 76 76 GLY H H 1 8.76 . . 1 . . . . 1167 GLY H . 26864 1 124 . 1 1 76 76 GLY N N 15 113.58 . . 1 . . . . 1167 GLY N . 26864 1 125 . 1 1 77 77 LEU H H 1 7.62 . . 1 . . . . 1168 LEU H . 26864 1 126 . 1 1 77 77 LEU N N 15 120.18 . . 1 . . . . 1168 LEU N . 26864 1 127 . 1 1 78 78 THR H H 1 9.02 . . 1 . . . . 1169 THR H . 26864 1 128 . 1 1 78 78 THR N N 15 112.69 . . 1 . . . . 1169 THR N . 26864 1 129 . 1 1 79 79 HIS H H 1 9.55 . . 1 . . . . 1170 HIS H . 26864 1 130 . 1 1 79 79 HIS N N 15 120.40 . . 1 . . . . 1170 HIS N . 26864 1 131 . 1 1 80 80 GLY H H 1 8.94 . . 1 . . . . 1171 GLY H . 26864 1 132 . 1 1 80 80 GLY N N 15 104.25 . . 1 . . . . 1171 GLY N . 26864 1 133 . 1 1 81 81 GLU H H 1 7.80 . . 1 . . . . 1172 GLU H . 26864 1 134 . 1 1 81 81 GLU N N 15 122.06 . . 1 . . . . 1172 GLU N . 26864 1 135 . 1 1 83 83 VAL H H 1 8.36 . . 1 . . . . 1174 VAL H . 26864 1 136 . 1 1 83 83 VAL N N 15 118.15 . . 1 . . . . 1174 VAL N . 26864 1 137 . 1 1 84 84 GLN H H 1 7.70 . . 1 . . . . 1175 GLN H . 26864 1 138 . 1 1 84 84 GLN N N 15 117.55 . . 1 . . . . 1175 GLN N . 26864 1 139 . 1 1 85 85 LEU H H 1 7.76 . . 1 . . . . 1176 LEU H . 26864 1 140 . 1 1 85 85 LEU N N 15 120.59 . . 1 . . . . 1176 LEU N . 26864 1 141 . 1 1 86 86 LEU H H 1 8.05 . . 1 . . . . 1177 LEU H . 26864 1 142 . 1 1 86 86 LEU N N 15 119.35 . . 1 . . . . 1177 LEU N . 26864 1 143 . 1 1 87 87 ARG H H 1 8.23 . . 1 . . . . 1178 ARG H . 26864 1 144 . 1 1 87 87 ARG N N 15 117.16 . . 1 . . . . 1178 ARG N . 26864 1 145 . 1 1 89 89 VAL H H 1 7.08 . . 1 . . . . 1180 VAL H . 26864 1 146 . 1 1 89 89 VAL N N 15 117.22 . . 1 . . . . 1180 VAL N . 26864 1 147 . 1 1 90 90 GLY H H 1 8.70 . . 1 . . . . 1181 GLY H . 26864 1 148 . 1 1 90 90 GLY N N 15 112.94 . . 1 . . . . 1181 GLY N . 26864 1 149 . 1 1 91 91 ASP H H 1 8.31 . . 1 . . . . 1182 ASP H . 26864 1 150 . 1 1 91 91 ASP N N 15 119.74 . . 1 . . . . 1182 ASP N . 26864 1 151 . 1 1 93 93 LEU H H 1 9.04 . . 1 . . . . 1184 LEU H . 26864 1 152 . 1 1 93 93 LEU N N 15 126.52 . . 1 . . . . 1184 LEU N . 26864 1 153 . 1 1 94 94 THR H H 1 8.84 . . 1 . . . . 1185 THR H . 26864 1 154 . 1 1 94 94 THR N N 15 120.07 . . 1 . . . . 1185 THR N . 26864 1 155 . 1 1 95 95 VAL H H 1 9.26 . . 1 . . . . 1186 VAL H . 26864 1 156 . 1 1 95 95 VAL N N 15 120.82 . . 1 . . . . 1186 VAL N . 26864 1 157 . 1 1 96 96 LEU H H 1 8.32 . . 1 . . . . 1187 LEU H . 26864 1 158 . 1 1 96 96 LEU N N 15 126.95 . . 1 . . . . 1187 LEU N . 26864 1 159 . 1 1 97 97 VAL H H 1 9.02 . . 1 . . . . 1188 VAL H . 26864 1 160 . 1 1 97 97 VAL N N 15 119.45 . . 1 . . . . 1188 VAL N . 26864 1 161 . 1 1 98 98 CYS H H 1 8.62 . . 1 . . . . 1189 CYS H . 26864 1 162 . 1 1 98 98 CYS N N 15 112.64 . . 1 . . . . 1189 CYS N . 26864 1 163 . 1 1 100 100 GLY H H 1 8.52 . . 1 . . . . 1191 GLY H . 26864 1 164 . 1 1 100 100 GLY N N 15 109.94 . . 1 . . . . 1191 GLY N . 26864 1 stop_ save_