################################### # 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 27633 _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' . . . 27633 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.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 3 3 GLY H H 1 8.623 0.001 . 1 . . . . . 117 GLY H . 27633 1 2 . 1 1 3 3 GLY N N 15 110.149 0.015 . 1 . . . . . 117 GLY N . 27633 1 3 . 1 1 4 4 GLU H H 1 8.039 0.001 . 1 . . . . . 118 GLU H . 27633 1 4 . 1 1 4 4 GLU N N 15 120.750 0.020 . 1 . . . . . 118 GLU N . 27633 1 5 . 1 1 5 5 VAL H H 1 8.249 0.001 . 1 . . . . . 119 VAL H . 27633 1 6 . 1 1 5 5 VAL N N 15 121.823 0.015 . 1 . . . . . 119 VAL N . 27633 1 7 . 1 1 6 6 LYS H H 1 8.439 0.001 . 1 . . . . . 120 LYS H . 27633 1 8 . 1 1 6 6 LYS N N 15 125.759 0.016 . 1 . . . . . 120 LYS N . 27633 1 9 . 1 1 7 7 GLU H H 1 8.444 0.001 . 1 . . . . . 121 GLU H . 27633 1 10 . 1 1 7 7 GLU N N 15 122.678 0.022 . 1 . . . . . 121 GLU N . 27633 1 11 . 1 1 8 8 LYS H H 1 8.439 0.001 . 1 . . . . . 122 LYS H . 27633 1 12 . 1 1 8 8 LYS N N 15 123.210 0.010 . 1 . . . . . 122 LYS N . 27633 1 13 . 1 1 9 9 ALA H H 1 8.316 0.001 . 1 . . . . . 123 ALA H . 27633 1 14 . 1 1 9 9 ALA N N 15 126.347 0.009 . 1 . . . . . 123 ALA N . 27633 1 15 . 1 1 11 11 LYS H H 1 8.438 0.001 . 1 . . . . . 125 LYS H . 27633 1 16 . 1 1 11 11 LYS N N 15 122.050 0.001 . 1 . . . . . 125 LYS N . 27633 1 17 . 1 1 12 12 LYS H H 1 8.362 0.001 . 1 . . . . . 126 LYS H . 27633 1 18 . 1 1 12 12 LYS N N 15 123.337 0.018 . 1 . . . . . 126 LYS N . 27633 1 19 . 1 1 13 13 LYS H H 1 8.439 0.005 . 1 . . . . . 127 LYS H . 27633 1 20 . 1 1 13 13 LYS N N 15 123.932 0.019 . 1 . . . . . 127 LYS N . 27633 1 21 . 1 1 14 14 ALA H H 1 8.463 0.001 . 1 . . . . . 128 ALA H . 27633 1 22 . 1 1 14 14 ALA N N 15 126.389 0.052 . 1 . . . . . 128 ALA N . 27633 1 23 . 1 1 15 15 SER H H 1 8.352 0.001 . 1 . . . . . 129 SER H . 27633 1 24 . 1 1 15 15 SER N N 15 115.724 0.034 . 1 . . . . . 129 SER N . 27633 1 25 . 1 1 16 16 ALA H H 1 8.356 0.001 . 1 . . . . . 130 ALA H . 27633 1 26 . 1 1 16 16 ALA N N 15 126.428 0.064 . 1 . . . . . 130 ALA N . 27633 1 27 . 1 1 17 17 ALA H H 1 8.254 0.001 . 1 . . . . . 131 ALA H . 27633 1 28 . 1 1 17 17 ALA N N 15 123.850 0.023 . 1 . . . . . 131 ALA N . 27633 1 29 . 1 1 18 18 LYS H H 1 8.339 0.001 . 1 . . . . . 132 LYS H . 27633 1 30 . 1 1 18 18 LYS N N 15 122.526 0.012 . 1 . . . . . 132 LYS N . 27633 1 31 . 1 1 20 20 LYS H H 1 8.474 0.001 . 1 . . . . . 134 LYS H . 27633 1 32 . 1 1 20 20 LYS N N 15 122.454 0.013 . 1 . . . . . 134 LYS N . 27633 1 33 . 1 1 21 21 LYS H H 1 8.384 0.003 . 1 . . . . . 135 LYS H . 27633 1 34 . 1 1 21 21 LYS N N 15 124.341 0.003 . 1 . . . . . 135 LYS N . 27633 1 35 . 1 1 35 35 LYS H H 1 8.451 0.001 . 1 . . . . . 149 LYS H . 27633 1 36 . 1 1 35 35 LYS N N 15 122.436 0.009 . 1 . . . . . 149 LYS N . 27633 1 37 . 1 1 36 36 LYS H H 1 8.334 0.001 . 1 . . . . . 150 LYS H . 27633 1 38 . 1 1 36 36 LYS N N 15 123.430 0.010 . 1 . . . . . 150 LYS N . 27633 1 39 . 1 1 37 37 ALA H H 1 8.423 0.001 . 1 . . . . . 151 ALA H . 27633 1 40 . 1 1 37 37 ALA N N 15 126.775 0.016 . 1 . . . . . 151 ALA N . 27633 1 41 . 1 1 38 38 VAL H H 1 8.183 0.001 . 1 . . . . . 152 VAL H . 27633 1 42 . 1 1 38 38 VAL N N 15 120.434 0.008 . 1 . . . . . 152 VAL N . 27633 1 43 . 1 1 39 39 ALA H H 1 8.410 0.001 . 1 . . . . . 153 ALA H . 27633 1 44 . 1 1 39 39 ALA N N 15 128.683 0.017 . 1 . . . . . 153 ALA N . 27633 1 45 . 1 1 40 40 VAL H H 1 8.199 0.001 . 1 . . . . . 154 VAL H . 27633 1 46 . 1 1 40 40 VAL N N 15 120.849 0.010 . 1 . . . . . 154 VAL N . 27633 1 47 . 1 1 41 41 LYS H H 1 8.452 0.001 . 1 . . . . . 155 LYS H . 27633 1 48 . 1 1 41 41 LYS N N 15 126.341 0.011 . 1 . . . . . 155 LYS N . 27633 1 49 . 1 1 42 42 LYS H H 1 8.451 0.001 . 1 . . . . . 156 LYS H . 27633 1 50 . 1 1 42 42 LYS N N 15 124.057 0.011 . 1 . . . . . 156 LYS N . 27633 1 51 . 1 1 43 43 SER H H 1 8.500 0.002 . 1 . . . . . 157 SER H . 27633 1 52 . 1 1 43 43 SER N N 15 119.394 0.020 . 1 . . . . . 157 SER N . 27633 1 53 . 1 1 51 51 ALA H H 1 8.445 0.001 . 1 . . . . . 165 ALA H . 27633 1 54 . 1 1 51 51 ALA N N 15 124.951 0.031 . 1 . . . . . 165 ALA N . 27633 1 55 . 1 1 52 52 ALA H H 1 8.402 0.002 . 1 . . . . . 166 ALA H . 27633 1 56 . 1 1 52 52 ALA N N 15 123.938 0.026 . 1 . . . . . 166 ALA N . 27633 1 57 . 1 1 53 53 SER H H 1 8.310 0.001 . 1 . . . . . 167 SER H . 27633 1 58 . 1 1 53 53 SER N N 15 115.103 0.014 . 1 . . . . . 167 SER N . 27633 1 59 . 1 1 54 54 ALA H H 1 8.387 0.001 . 1 . . . . . 168 ALA H . 27633 1 60 . 1 1 54 54 ALA N N 15 126.323 0.020 . 1 . . . . . 168 ALA N . 27633 1 61 . 1 1 55 55 THR H H 1 8.139 0.001 . 1 . . . . . 169 THR H . 27633 1 62 . 1 1 55 55 THR N N 15 113.850 0.001 . 1 . . . . . 169 THR N . 27633 1 63 . 1 1 56 56 LYS H H 1 8.347 0.001 . 1 . . . . . 170 LYS H . 27633 1 64 . 1 1 56 56 LYS N N 15 124.480 0.016 . 1 . . . . . 170 LYS N . 27633 1 65 . 1 1 57 57 LYS H H 1 8.429 0.001 . 1 . . . . . 171 LYS H . 27633 1 66 . 1 1 57 57 LYS N N 15 123.514 0.018 . 1 . . . . . 171 LYS N . 27633 1 67 . 1 1 58 58 SER H H 1 8.381 0.001 . 1 . . . . . 172 SER H . 27633 1 68 . 1 1 58 58 SER N N 15 117.503 0.014 . 1 . . . . . 172 SER N . 27633 1 69 . 1 1 59 59 ALA H H 1 8.406 0.001 . 1 . . . . . 173 ALA H . 27633 1 70 . 1 1 59 59 ALA N N 15 126.611 0.022 . 1 . . . . . 173 ALA N . 27633 1 71 . 1 1 60 60 LYS H H 1 8.307 0.001 . 1 . . . . . 174 LYS H . 27633 1 72 . 1 1 60 60 LYS N N 15 120.814 0.033 . 1 . . . . . 174 LYS N . 27633 1 73 . 1 1 61 61 SER H H 1 8.390 0.001 . 1 . . . . . 175 SER H . 27633 1 74 . 1 1 61 61 SER N N 15 118.888 0.017 . 1 . . . . . 175 SER N . 27633 1 75 . 1 1 63 63 LYS H H 1 8.361 0.001 . 1 . . . . . 177 LYS H . 27633 1 76 . 1 1 63 63 LYS N N 15 122.044 0.011 . 1 . . . . . 177 LYS N . 27633 1 77 . 1 1 64 64 LYS H H 1 8.399 0.001 . 1 . . . . . 178 LYS H . 27633 1 78 . 1 1 64 64 LYS N N 15 123.953 0.012 . 1 . . . . . 178 LYS N . 27633 1 79 . 1 1 65 65 VAL H H 1 8.344 0.001 . 1 . . . . . 179 VAL H . 27633 1 80 . 1 1 65 65 VAL N N 15 123.235 0.013 . 1 . . . . . 179 VAL N . 27633 1 81 . 1 1 66 66 THR H H 1 8.378 0.001 . 1 . . . . . 180 THR H . 27633 1 82 . 1 1 66 66 THR N N 15 120.022 0.016 . 1 . . . . . 180 THR N . 27633 1 83 . 1 1 67 67 LYS H H 1 8.388 0.001 . 1 . . . . . 181 LYS H . 27633 1 84 . 1 1 67 67 LYS N N 15 124.901 0.034 . 1 . . . . . 181 LYS N . 27633 1 85 . 1 1 68 68 ALA H H 1 8.385 0.001 . 1 . . . . . 182 ALA H . 27633 1 86 . 1 1 68 68 ALA N N 15 126.513 0.017 . 1 . . . . . 182 ALA N . 27633 1 87 . 1 1 69 69 VAL H H 1 8.232 0.001 . 1 . . . . . 183 VAL H . 27633 1 88 . 1 1 69 69 VAL N N 15 120.758 0.032 . 1 . . . . . 183 VAL N . 27633 1 89 . 1 1 70 70 LYS H H 1 8.456 0.001 . 1 . . . . . 184 LYS H . 27633 1 90 . 1 1 70 70 LYS N N 15 127.251 0.025 . 1 . . . . . 184 LYS N . 27633 1 91 . 1 1 72 72 LYS H H 1 8.451 0.001 . 1 . . . . . 186 LYS H . 27633 1 92 . 1 1 72 72 LYS N N 15 122.436 0.009 . 1 . . . . . 186 LYS N . 27633 1 93 . 1 1 73 73 LYS H H 1 8.334 0.001 . 1 . . . . . 187 LYS H . 27633 1 94 . 1 1 73 73 LYS N N 15 123.428 0.010 . 1 . . . . . 187 LYS N . 27633 1 95 . 1 1 74 74 ALA H H 1 8.423 0.001 . 1 . . . . . 188 ALA H . 27633 1 96 . 1 1 74 74 ALA N N 15 126.771 0.013 . 1 . . . . . 188 ALA N . 27633 1 97 . 1 1 75 75 VAL H H 1 8.192 0.001 . 1 . . . . . 189 VAL H . 27633 1 98 . 1 1 75 75 VAL N N 15 120.416 0.016 . 1 . . . . . 189 VAL N . 27633 1 99 . 1 1 76 76 ALA H H 1 8.403 0.001 . 1 . . . . . 190 ALA H . 27633 1 100 . 1 1 76 76 ALA N N 15 128.565 0.010 . 1 . . . . . 190 ALA N . 27633 1 101 . 1 1 77 77 ALA H H 1 8.318 0.001 . 1 . . . . . 191 ALA H . 27633 1 102 . 1 1 77 77 ALA N N 15 124.256 0.012 . 1 . . . . . 191 ALA N . 27633 1 103 . 1 1 78 78 LYS H H 1 8.347 0.002 . 1 . . . . . 192 LYS H . 27633 1 104 . 1 1 78 78 LYS N N 15 121.207 0.025 . 1 . . . . . 192 LYS N . 27633 1 105 . 1 1 79 79 SER H H 1 8.416 0.001 . 1 . . . . . 193 SER H . 27633 1 106 . 1 1 79 79 SER N N 15 118.940 0.014 . 1 . . . . . 193 SER N . 27633 1 107 . 1 1 81 81 ALA H H 1 8.372 0.001 . 1 . . . . . 195 ALA H . 27633 1 108 . 1 1 81 81 ALA N N 15 124.591 0.025 . 1 . . . . . 195 ALA N . 27633 1 109 . 1 1 82 82 LYS H H 1 8.288 0.001 . 1 . . . . . 196 LYS H . 27633 1 110 . 1 1 82 82 LYS N N 15 121.050 0.017 . 1 . . . . . 196 LYS N . 27633 1 111 . 1 1 83 83 ALA H H 1 8.307 0.001 . 1 . . . . . 197 ALA H . 27633 1 112 . 1 1 83 83 ALA N N 15 125.730 0.011 . 1 . . . . . 197 ALA N . 27633 1 113 . 1 1 84 84 LYS H H 1 8.299 0.001 . 1 . . . . . 198 LYS H . 27633 1 114 . 1 1 84 84 LYS N N 15 121.113 0.008 . 1 . . . . . 198 LYS N . 27633 1 115 . 1 1 85 85 ALA H H 1 8.310 0.001 . 1 . . . . . 199 ALA H . 27633 1 116 . 1 1 85 85 ALA N N 15 125.973 0.010 . 1 . . . . . 199 ALA N . 27633 1 117 . 1 1 86 86 VAL H H 1 8.207 0.001 . 1 . . . . . 200 VAL H . 27633 1 118 . 1 1 86 86 VAL N N 15 120.638 0.027 . 1 . . . . . 200 VAL N . 27633 1 119 . 1 1 87 87 LYS H H 1 8.455 0.001 . 1 . . . . . 201 LYS H . 27633 1 120 . 1 1 87 87 LYS N N 15 127.274 0.015 . 1 . . . . . 201 LYS N . 27633 1 121 . 1 1 89 89 LYS H H 1 8.453 0.001 . 1 . . . . . 203 LYS H . 27633 1 122 . 1 1 89 89 LYS N N 15 122.243 0.010 . 1 . . . . . 203 LYS N . 27633 1 123 . 1 1 90 90 ALA H H 1 8.334 0.001 . 1 . . . . . 204 ALA H . 27633 1 124 . 1 1 90 90 ALA N N 15 125.810 0.035 . 1 . . . . . 204 ALA N . 27633 1 125 . 1 1 91 91 ALA H H 1 8.335 0.001 . 1 . . . . . 205 ALA H . 27633 1 126 . 1 1 91 91 ALA N N 15 124.366 0.035 . 1 . . . . . 205 ALA N . 27633 1 127 . 1 1 92 92 LYS H H 1 8.359 0.003 . 1 . . . . . 206 LYS H . 27633 1 128 . 1 1 92 92 LYS N N 15 122.549 0.017 . 1 . . . . . 206 LYS N . 27633 1 129 . 1 1 94 94 LYS H H 1 8.453 0.001 . 1 . . . . . 208 LYS H . 27633 1 130 . 1 1 94 94 LYS N N 15 122.243 0.010 . 1 . . . . . 208 LYS N . 27633 1 131 . 1 1 95 95 ALA H H 1 8.334 0.001 . 1 . . . . . 209 ALA H . 27633 1 132 . 1 1 95 95 ALA N N 15 125.810 0.035 . 1 . . . . . 209 ALA N . 27633 1 133 . 1 1 96 96 ALA H H 1 8.335 0.001 . 1 . . . . . 210 ALA H . 27633 1 134 . 1 1 96 96 ALA N N 15 124.366 0.035 . 1 . . . . . 210 ALA N . 27633 1 135 . 1 1 97 97 LYS H H 1 8.359 0.003 . 1 . . . . . 211 LYS H . 27633 1 136 . 1 1 97 97 LYS N N 15 122.549 0.017 . 1 . . . . . 211 LYS N . 27633 1 137 . 1 1 109 109 LYS H H 1 8.304 0.001 . 1 . . . . . 223 LYS H . 27633 1 138 . 1 1 109 109 LYS N N 15 121.385 0.010 . 1 . . . . . 223 LYS N . 27633 1 139 . 1 1 110 110 LYS H H 1 8.391 0.001 . 1 . . . . . 224 LYS H . 27633 1 140 . 1 1 110 110 LYS N N 15 124.092 0.012 . 1 . . . . . 224 LYS N . 27633 1 141 . 1 1 111 111 LYS H H 1 8.026 0.001 . 1 . . . . . 225 LYS H . 27633 1 142 . 1 1 111 111 LYS N N 15 128.386 0.011 . 1 . . . . . 225 LYS N . 27633 1 stop_ save_