################################### # 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 25731 _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 2 '2D 1H-15N HSQC' . . . 25731 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 4 4 GLY H H 1 8.608 . . . . . . A 4 GLY H . 25731 1 2 . 1 1 4 4 GLY N N 15 109.068 . . . . . . A 4 GLY N . 25731 1 3 . 1 1 5 5 ILE H H 1 9.573 . . . . . . A 5 ILE H . 25731 1 4 . 1 1 5 5 ILE N N 15 131.711 . . . . . . A 5 ILE N . 25731 1 5 . 1 1 7 7 ALA H H 1 7.841 . . . . . . A 7 ALA H . 25731 1 6 . 1 1 7 7 ALA N N 15 130.884 . . . . . . A 7 ALA N . 25731 1 7 . 1 1 8 8 SER H H 1 7.715 . . . . . . A 8 SER H . 25731 1 8 . 1 1 8 8 SER N N 15 111.971 . . . . . . A 8 SER N . 25731 1 9 . 1 1 10 10 GLY H H 1 6.261 . . . . . . A 10 GLY H . 25731 1 10 . 1 1 10 10 GLY N N 15 104.297 . . . . . . A 10 GLY N . 25731 1 11 . 1 1 14 14 GLY H H 1 8.294 . . . . . . A 14 GLY H . 25731 1 12 . 1 1 14 14 GLY N N 15 108.348 . . . . . . A 14 GLY N . 25731 1 13 . 1 1 18 18 LEU H H 1 8.839 . . . . . . A 18 LEU H . 25731 1 14 . 1 1 18 18 LEU N N 15 129.007 . . . . . . A 18 LEU N . 25731 1 15 . 1 1 19 19 LEU H H 1 8.982 . . . . . . A 19 LEU H . 25731 1 16 . 1 1 19 19 LEU N N 15 129.235 . . . . . . A 19 LEU N . 25731 1 17 . 1 1 23 23 GLU H H 1 8.471 . . . . . . A 23 GLU H . 25731 1 18 . 1 1 23 23 GLU N N 15 122.434 . . . . . . A 23 GLU N . 25731 1 19 . 1 1 24 24 ILE H H 1 8.459 . . . . . . A 24 ILE H . 25731 1 20 . 1 1 24 24 ILE N N 15 124.551 . . . . . . A 24 ILE N . 25731 1 21 . 1 1 25 25 VAL H H 1 8.087 . . . . . . A 25 VAL H . 25731 1 22 . 1 1 25 25 VAL N N 15 131.023 . . . . . . A 25 VAL N . 25731 1 23 . 1 1 26 26 ILE H H 1 7.994 . . . . . . A 26 ILE H . 25731 1 24 . 1 1 26 26 ILE N N 15 126.563 . . . . . . A 26 ILE N . 25731 1 25 . 1 1 27 27 ASP H H 1 9.479 . . . . . . A 27 ASP H . 25731 1 26 . 1 1 27 27 ASP N N 15 128.838 . . . . . . A 27 ASP N . 25731 1 27 . 1 1 28 28 ARG H H 1 8.299 . . . . . . A 28 ARG H . 25731 1 28 . 1 1 28 28 ARG N N 15 124.609 . . . . . . A 28 ARG N . 25731 1 29 . 1 1 29 29 LYS H H 1 8.152 . . . . . . A 29 LYS H . 25731 1 30 . 1 1 29 29 LYS N N 15 123.043 . . . . . . A 29 LYS N . 25731 1 31 . 1 1 30 30 LYS H H 1 8.346 . . . . . . A 30 LYS H . 25731 1 32 . 1 1 30 30 LYS N N 15 123.947 . . . . . . A 30 LYS N . 25731 1 33 . 1 1 32 32 SER H H 1 8.102 . . . . . . A 32 SER H . 25731 1 34 . 1 1 32 32 SER N N 15 114.432 . . . . . . A 32 SER N . 25731 1 35 . 1 1 37 37 ASP H H 1 8.539 . . . . . . A 37 ASP H . 25731 1 36 . 1 1 37 37 ASP N N 15 118.749 . . . . . . A 37 ASP N . 25731 1 37 . 1 1 40 40 VAL H H 1 8.817 . . . . . . A 40 VAL H . 25731 1 38 . 1 1 40 40 VAL N N 15 122.242 . . . . . . A 40 VAL N . 25731 1 39 . 1 1 41 41 GLU H H 1 7.910 . . . . . . A 41 GLU H . 25731 1 40 . 1 1 41 41 GLU N N 15 119.003 . . . . . . A 41 GLU N . 25731 1 41 . 1 1 45 45 SER H H 1 9.073 . . . . . . A 45 SER H . 25731 1 42 . 1 1 45 45 SER N N 15 116.937 . . . . . . A 45 SER N . 25731 1 43 . 1 1 46 46 GLY H H 1 7.990 . . . . . . A 46 GLY H . 25731 1 44 . 1 1 46 46 GLY N N 15 111.188 . . . . . . A 46 GLY N . 25731 1 45 . 1 1 47 47 ARG H H 1 8.755 . . . . . . A 47 ARG H . 25731 1 46 . 1 1 47 47 ARG N N 15 123.155 . . . . . . A 47 ARG N . 25731 1 47 . 1 1 56 56 THR H H 1 7.602 . . . . . . A 56 THR H . 25731 1 48 . 1 1 56 56 THR N N 15 116.925 . . . . . . A 56 THR N . 25731 1 49 . 1 1 58 58 LYS H H 1 8.611 . . . . . . A 58 LYS H . 25731 1 50 . 1 1 58 58 LYS N N 15 120.834 . . . . . . A 58 LYS N . 25731 1 51 . 1 1 68 68 GLU H H 1 8.986 . . . . . . A 68 GLU H . 25731 1 52 . 1 1 68 68 GLU N N 15 120.644 . . . . . . A 68 GLU N . 25731 1 53 . 1 1 71 71 ALA H H 1 7.660 . . . . . . A 71 ALA H . 25731 1 54 . 1 1 71 71 ALA N N 15 118.782 . . . . . . A 71 ALA N . 25731 1 55 . 1 1 75 75 GLY H H 1 7.803 . . . . . . A 75 GLY H . 25731 1 56 . 1 1 75 75 GLY N N 15 106.782 . . . . . . A 75 GLY N . 25731 1 57 . 1 1 81 81 GLU H H 1 7.963 . . . . . . A 81 GLU H . 25731 1 58 . 1 1 81 81 GLU N N 15 113.885 . . . . . . A 81 GLU N . 25731 1 59 . 1 1 83 83 GLU H H 1 9.055 . . . . . . A 83 GLU H . 25731 1 60 . 1 1 83 83 GLU N N 15 129.401 . . . . . . A 83 GLU N . 25731 1 61 . 1 1 92 92 LEU H H 1 7.422 . . . . . . A 92 LEU H . 25731 1 62 . 1 1 92 92 LEU N N 15 118.295 . . . . . . A 92 LEU N . 25731 1 63 . 1 1 93 93 ILE H H 1 7.601 . . . . . . A 93 ILE H . 25731 1 64 . 1 1 93 93 ILE N N 15 120.627 . . . . . . A 93 ILE N . 25731 1 65 . 1 1 94 94 LYS H H 1 8.498 . . . . . . A 94 LYS H . 25731 1 66 . 1 1 94 94 LYS N N 15 115.650 . . . . . . A 94 LYS N . 25731 1 67 . 1 1 96 96 LYS H H 1 7.154 . . . . . . A 96 LYS H . 25731 1 68 . 1 1 96 96 LYS N N 15 115.886 . . . . . . A 96 LYS N . 25731 1 69 . 1 1 100 100 ALA H H 1 10.542 . . . . . . A 100 ALA H . 25731 1 70 . 1 1 100 100 ALA N N 15 121.819 . . . . . . A 100 ALA N . 25731 1 71 . 1 1 101 101 ASP H H 1 9.437 . . . . . . A 101 ASP H . 25731 1 72 . 1 1 101 101 ASP N N 15 109.661 . . . . . . A 101 ASP N . 25731 1 73 . 1 1 104 104 ALA H H 1 8.328 . . . . . . A 104 ALA H . 25731 1 74 . 1 1 104 104 ALA N N 15 118.118 . . . . . . A 104 ALA N . 25731 1 75 . 1 1 110 110 GLY H H 1 7.984 . . . . . . A 110 GLY H . 25731 1 76 . 1 1 110 110 GLY N N 15 108.385 . . . . . . A 110 GLY N . 25731 1 77 . 1 1 113 113 SER H H 1 8.406 . . . . . . A 113 SER H . 25731 1 78 . 1 1 113 113 SER N N 15 112.590 . . . . . . A 113 SER N . 25731 1 79 . 1 1 115 115 LEU H H 1 7.467 . . . . . . A 115 LEU H . 25731 1 80 . 1 1 115 115 LEU N N 15 118.313 . . . . . . A 115 LEU N . 25731 1 81 . 1 1 116 116 GLU H H 1 7.756 . . . . . . A 116 GLU H . 25731 1 82 . 1 1 116 116 GLU N N 15 116.378 . . . . . . A 116 GLU N . 25731 1 83 . 1 1 117 117 GLU H H 1 7.446 . . . . . . A 117 GLU H . 25731 1 84 . 1 1 117 117 GLU N N 15 117.307 . . . . . . A 117 GLU N . 25731 1 85 . 1 1 118 118 LEU H H 1 7.218 . . . . . . A 118 LEU H . 25731 1 86 . 1 1 118 118 LEU N N 15 119.474 . . . . . . A 118 LEU N . 25731 1 87 . 1 1 122 122 TYR H H 1 8.258 . . . . . . A 122 TYR H . 25731 1 88 . 1 1 122 122 TYR N N 15 119.867 . . . . . . A 122 TYR N . 25731 1 89 . 1 1 134 134 GLY H H 1 8.746 . . . . . . A 134 GLY H . 25731 1 90 . 1 1 134 134 GLY N N 15 109.570 . . . . . . A 134 GLY N . 25731 1 91 . 1 1 138 138 LEU H H 1 8.921 . . . . . . A 138 LEU H . 25731 1 92 . 1 1 138 138 LEU N N 15 119.451 . . . . . . A 138 LEU N . 25731 1 93 . 1 1 143 143 GLY H H 1 7.673 . . . . . . A 143 GLY H . 25731 1 94 . 1 1 143 143 GLY N N 15 109.192 . . . . . . A 143 GLY N . 25731 1 95 . 1 1 146 146 ILE H H 1 8.295 . . . . . . A 146 ILE H . 25731 1 96 . 1 1 146 146 ILE N N 15 126.426 . . . . . . A 146 ILE N . 25731 1 97 . 1 1 148 148 ASP H H 1 8.369 . . . . . . A 148 ASP H . 25731 1 98 . 1 1 148 148 ASP N N 15 126.756 . . . . . . A 148 ASP N . 25731 1 99 . 1 1 151 151 ALA H H 1 7.407 . . . . . . A 151 ALA H . 25731 1 100 . 1 1 151 151 ALA N N 15 125.461 . . . . . . A 151 ALA N . 25731 1 101 . 1 1 152 152 ILE H H 1 6.746 . . . . . . A 152 ILE H . 25731 1 102 . 1 1 152 152 ILE N N 15 119.784 . . . . . . A 152 ILE N . 25731 1 103 . 1 1 158 158 LEU H H 1 8.058 . . . . . . A 158 LEU H . 25731 1 104 . 1 1 158 158 LEU N N 15 127.511 . . . . . . A 158 LEU N . 25731 1 105 . 1 1 161 161 ALA H H 1 9.201 . . . . . . A 161 ALA H . 25731 1 106 . 1 1 161 161 ALA N N 15 125.207 . . . . . . A 161 ALA N . 25731 1 107 . 1 1 162 162 ASP H H 1 7.475 . . . . . . A 162 ASP H . 25731 1 108 . 1 1 162 162 ASP N N 15 110.996 . . . . . . A 162 ASP N . 25731 1 109 . 1 1 181 181 THR H H 1 8.354 . . . . . . A 181 THR H . 25731 1 110 . 1 1 181 181 THR N N 15 111.899 . . . . . . A 181 THR N . 25731 1 111 . 1 1 206 206 GLY H H 1 10.135 . . . . . . A 206 GLY H . 25731 1 112 . 1 1 206 206 GLY N N 15 117.211 . . . . . . A 206 GLY N . 25731 1 113 . 1 1 207 207 SER H H 1 7.865 . . . . . . A 207 SER H . 25731 1 114 . 1 1 207 207 SER N N 15 112.839 . . . . . . A 207 SER N . 25731 1 115 . 1 1 208 208 VAL H H 1 7.799 . . . . . . A 208 VAL H . 25731 1 116 . 1 1 208 208 VAL N N 15 128.351 . . . . . . A 208 VAL N . 25731 1 117 . 1 1 209 209 THR H H 1 9.742 . . . . . . A 209 THR H . 25731 1 118 . 1 1 209 209 THR N N 15 113.459 . . . . . . A 209 THR N . 25731 1 119 . 1 1 210 210 SER H H 1 7.630 . . . . . . A 210 SER H . 25731 1 120 . 1 1 210 210 SER N N 15 114.577 . . . . . . A 210 SER N . 25731 1 121 . 1 1 212 212 VAL H H 1 7.299 . . . . . . A 212 VAL H . 25731 1 122 . 1 1 212 212 VAL N N 15 119.189 . . . . . . A 212 VAL N . 25731 1 123 . 1 1 213 213 LYS H H 1 8.871 . . . . . . A 213 LYS H . 25731 1 124 . 1 1 213 213 LYS N N 15 124.796 . . . . . . A 213 LYS N . 25731 1 125 . 1 1 214 214 ASN H H 1 8.508 . . . . . . A 214 ASN H . 25731 1 126 . 1 1 214 214 ASN N N 15 118.397 . . . . . . A 214 ASN N . 25731 1 127 . 1 1 220 220 LEU H H 1 9.089 . . . . . . A 220 LEU H . 25731 1 128 . 1 1 220 220 LEU N N 15 130.815 . . . . . . A 220 LEU N . 25731 1 129 . 1 1 222 222 ALA H H 1 8.440 . . . . . . A 222 ALA H . 25731 1 130 . 1 1 222 222 ALA N N 15 128.761 . . . . . . A 222 ALA N . 25731 1 131 . 1 1 229 229 VAL H H 1 8.483 . . . . . . A 229 VAL H . 25731 1 132 . 1 1 229 229 VAL N N 15 123.649 . . . . . . A 229 VAL N . 25731 1 133 . 1 1 230 230 ASN H H 1 10.129 . . . . . . A 230 ASN H . 25731 1 134 . 1 1 230 230 ASN N N 15 124.668 . . . . . . A 230 ASN N . 25731 1 135 . 1 1 232 232 THR H H 1 7.786 . . . . . . A 232 THR H . 25731 1 136 . 1 1 232 232 THR N N 15 109.569 . . . . . . A 232 THR N . 25731 1 137 . 1 1 283 283 GLY H H 1 8.129 . . . . . . A 283 GLY H . 25731 1 138 . 1 1 283 283 GLY N N 15 107.398 . . . . . . A 283 GLY N . 25731 1 139 . 1 1 288 288 GLY H H 1 7.774 . . . . . . A 288 GLY H . 25731 1 140 . 1 1 288 288 GLY N N 15 106.551 . . . . . . A 288 GLY N . 25731 1 141 . 1 1 291 291 GLY H H 1 7.360 . . . . . . A 291 GLY H . 25731 1 142 . 1 1 291 291 GLY N N 15 106.112 . . . . . . A 291 GLY N . 25731 1 143 . 1 1 330 330 ILE H H 1 7.596 . . . . . . A 330 ILE H . 25731 1 144 . 1 1 330 330 ILE N N 15 125.891 . . . . . . A 330 ILE N . 25731 1 145 . 1 1 331 331 VAL H H 1 8.978 . . . . . . A 331 VAL H . 25731 1 146 . 1 1 331 331 VAL N N 15 130.011 . . . . . . A 331 VAL N . 25731 1 147 . 1 1 332 332 ARG H H 1 7.923 . . . . . . A 332 ARG H . 25731 1 148 . 1 1 332 332 ARG N N 15 128.386 . . . . . . A 332 ARG N . 25731 1 149 . 1 1 368 368 GLU H H 1 9.831 . . . . . . A 368 GLU H . 25731 1 150 . 1 1 368 368 GLU N N 15 120.295 . . . . . . A 368 GLU N . 25731 1 151 . 1 1 370 370 LEU H H 1 6.739 . . . . . . A 370 LEU H . 25731 1 152 . 1 1 370 370 LEU N N 15 121.704 . . . . . . A 370 LEU N . 25731 1 153 . 1 1 373 373 GLN H H 1 7.260 . . . . . . A 373 GLN H . 25731 1 154 . 1 1 373 373 GLN N N 15 115.819 . . . . . . A 373 GLN N . 25731 1 155 . 1 1 384 384 GLY H H 1 7.286 . . . . . . A 384 GLY H . 25731 1 156 . 1 1 384 384 GLY N N 15 106.461 . . . . . . A 384 GLY N . 25731 1 157 . 1 1 386 386 LEU H H 1 9.300 . . . . . . A 386 LEU H . 25731 1 158 . 1 1 386 386 LEU N N 15 126.834 . . . . . . A 386 LEU N . 25731 1 159 . 1 1 399 399 VAL H H 1 6.947 . . . . . . A 399 VAL H . 25731 1 160 . 1 1 399 399 VAL N N 15 117.218 . . . . . . A 399 VAL N . 25731 1 161 . 1 1 419 419 ALA H H 1 8.324 . . . . . . A 419 ALA H . 25731 1 162 . 1 1 419 419 ALA N N 15 125.187 . . . . . . A 419 ALA N . 25731 1 163 . 1 1 420 420 PHE H H 1 7.151 . . . . . . A 420 PHE H . 25731 1 164 . 1 1 420 420 PHE N N 15 110.844 . . . . . . A 420 PHE N . 25731 1 165 . 1 1 422 422 GLU H H 1 8.442 . . . . . . A 422 GLU H . 25731 1 166 . 1 1 422 422 GLU N N 15 127.390 . . . . . . A 422 GLU N . 25731 1 167 . 1 1 423 423 SER H H 1 8.591 . . . . . . A 423 SER H . 25731 1 168 . 1 1 423 423 SER N N 15 115.144 . . . . . . A 423 SER N . 25731 1 169 . 1 1 425 425 GLU H H 1 8.779 . . . . . . A 425 GLU H . 25731 1 170 . 1 1 425 425 GLU N N 15 128.863 . . . . . . A 425 GLU N . 25731 1 171 . 1 1 426 426 ILE H H 1 9.634 . . . . . . A 426 ILE H . 25731 1 172 . 1 1 426 426 ILE N N 15 122.399 . . . . . . A 426 ILE N . 25731 1 173 . 1 1 427 427 GLY H H 1 9.038 . . . . . . A 427 GLY H . 25731 1 174 . 1 1 427 427 GLY N N 15 116.513 . . . . . . A 427 GLY N . 25731 1 175 . 1 1 475 475 GLN H H 1 5.948 . . . . . . A 475 GLN H . 25731 1 176 . 1 1 475 475 GLN N N 15 126.671 . . . . . . A 475 GLN N . 25731 1 177 . 1 1 481 481 VAL H H 1 6.827 . . . . . . A 481 VAL H . 25731 1 178 . 1 1 481 481 VAL N N 15 123.573 . . . . . . A 481 VAL N . 25731 1 179 . 1 1 496 496 GLY H H 1 7.913 . . . . . . A 496 GLY H . 25731 1 180 . 1 1 496 496 GLY N N 15 108.132 . . . . . . A 496 GLY N . 25731 1 181 . 1 1 498 498 TRP H H 1 6.657 . . . . . . A 498 TRP H . 25731 1 182 . 1 1 498 498 TRP N N 15 114.239 . . . . . . A 498 TRP N . 25731 1 183 . 1 1 499 499 THR H H 1 9.872 . . . . . . A 499 THR H . 25731 1 184 . 1 1 499 499 THR N N 15 115.578 . . . . . . A 499 THR N . 25731 1 185 . 1 1 557 557 THR H H 1 6.536 . . . . . . A 557 THR H . 25731 1 186 . 1 1 557 557 THR N N 15 132.226 . . . . . . A 557 THR N . 25731 1 187 . 1 1 558 558 THR H H 1 9.116 . . . . . . A 558 THR H . 25731 1 188 . 1 1 558 558 THR N N 15 121.278 . . . . . . A 558 THR N . 25731 1 189 . 1 1 559 559 ASP H H 1 9.227 . . . . . . A 559 ASP H . 25731 1 190 . 1 1 559 559 ASP N N 15 121.304 . . . . . . A 559 ASP N . 25731 1 stop_ save_