################################### # 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 27582 _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' . . . 27582 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 12 12 TYR H H 1 7.86198 . . 1 . . . . . 153 TYR H . 27582 1 2 . 1 1 12 12 TYR N N 15 117.88372 . . 1 . . . . . 153 TYR N . 27582 1 3 . 1 1 13 13 THR H H 1 9.10051 . . 1 . . . . . 154 THR H . 27582 1 4 . 1 1 13 13 THR N N 15 114.32595 . . 1 . . . . . 154 THR N . 27582 1 5 . 1 1 14 14 ARG H H 1 8.85968 . . 1 . . . . . 155 ARG H . 27582 1 6 . 1 1 14 14 ARG N N 15 121.38653 . . 1 . . . . . 155 ARG N . 27582 1 7 . 1 1 15 15 ALA H H 1 8.32761 . . 1 . . . . . 156 ALA H . 27582 1 8 . 1 1 15 15 ALA N N 15 119.27213 . . 1 . . . . . 156 ALA N . 27582 1 9 . 1 1 16 16 GLN H H 1 7.64617 . . 1 . . . . . 157 GLN H . 27582 1 10 . 1 1 16 16 GLN N N 15 116.69786 . . 1 . . . . . 157 GLN N . 27582 1 11 . 1 1 17 17 LEU H H 1 8.25335 . . 1 . . . . . 158 LEU H . 27582 1 12 . 1 1 17 17 LEU N N 15 117.66457 . . 1 . . . . . 158 LEU N . 27582 1 13 . 1 1 18 18 LEU H H 1 8.10106 . . 1 . . . . . 159 LEU H . 27582 1 14 . 1 1 18 18 LEU N N 15 118.55242 . . 1 . . . . . 159 LEU N . 27582 1 15 . 1 1 19 19 GLU H H 1 7.19397 . . 1 . . . . . 160 GLU H . 27582 1 16 . 1 1 19 19 GLU N N 15 117.71895 . . 1 . . . . . 160 GLU N . 27582 1 17 . 1 1 20 20 LEU H H 1 7.95274 . . 1 . . . . . 161 LEU H . 27582 1 18 . 1 1 20 20 LEU N N 15 122.11446 . . 1 . . . . . 161 LEU N . 27582 1 19 . 1 1 21 21 GLU H H 1 8.09482 . . 1 . . . . . 162 GLU H . 27582 1 20 . 1 1 21 21 GLU N N 15 118.15082 . . 1 . . . . . 162 GLU N . 27582 1 21 . 1 1 22 22 LYS H H 1 7.53530 . . 1 . . . . . 163 LYS H . 27582 1 22 . 1 1 22 22 LYS N N 15 119.41109 . . 1 . . . . . 163 LYS N . 27582 1 23 . 1 1 23 23 GLU H H 1 7.82820 . . 1 . . . . . 164 GLU H . 27582 1 24 . 1 1 23 23 GLU N N 15 120.32477 . . 1 . . . . . 164 GLU N . 27582 1 25 . 1 1 24 24 PHE H H 1 8.66739 . . 1 . . . . . 165 PHE H . 27582 1 26 . 1 1 24 24 PHE N N 15 120.70252 . . 1 . . . . . 165 PHE N . 27582 1 27 . 1 1 25 25 LEU H H 1 7.81700 . . 1 . . . . . 166 LEU H . 27582 1 28 . 1 1 25 25 LEU N N 15 116.65696 . . 1 . . . . . 166 LEU N . 27582 1 29 . 1 1 26 26 PHE H H 1 7.31277 . . 1 . . . . . 167 PHE H . 27582 1 30 . 1 1 26 26 PHE N N 15 117.20625 . . 1 . . . . . 167 PHE N . 27582 1 31 . 1 1 27 27 ASN H H 1 8.50124 . . 1 . . . . . 168 ASN H . 27582 1 32 . 1 1 27 27 ASN N N 15 118.47320 . . 1 . . . . . 168 ASN N . 27582 1 33 . 1 1 28 28 LYS H H 1 8.00547 . . 1 . . . . . 169 LYS H . 27582 1 34 . 1 1 28 28 LYS N N 15 120.87872 . . 1 . . . . . 169 LYS N . 27582 1 35 . 1 1 29 29 TYR H H 1 7.61033 . . 1 . . . . . 170 TYR H . 27582 1 36 . 1 1 29 29 TYR N N 15 114.78454 . . 1 . . . . . 170 TYR N . 27582 1 37 . 1 1 30 30 ILE H H 1 7.42692 . . 1 . . . . . 171 ILE H . 27582 1 38 . 1 1 30 30 ILE N N 15 117.35218 . . 1 . . . . . 171 ILE N . 27582 1 39 . 1 1 31 31 SER H H 1 8.50309 . . 1 . . . . . 172 SER H . 27582 1 40 . 1 1 31 31 SER N N 15 121.74876 . . 1 . . . . . 172 SER N . 27582 1 41 . 1 1 32 32 ARG H H 1 9.15666 . . 1 . . . . . 173 ARG H . 27582 1 42 . 1 1 32 32 ARG N N 15 121.18995 . . 1 . . . . . 173 ARG N . 27582 1 43 . 1 1 34 34 ARG H H 1 7.31886 . . 1 . . . . . 175 ARG H . 27582 1 44 . 1 1 34 34 ARG N N 15 118.21595 . . 1 . . . . . 175 ARG N . 27582 1 45 . 1 1 35 35 ARG H H 1 8.46040 . . 1 . . . . . 176 ARG H . 27582 1 46 . 1 1 35 35 ARG N N 15 121.09636 . . 1 . . . . . 176 ARG N . 27582 1 47 . 1 1 36 36 VAL H H 1 8.10176 . . 1 . . . . . 177 VAL H . 27582 1 48 . 1 1 36 36 VAL N N 15 118.28900 . . 1 . . . . . 177 VAL N . 27582 1 49 . 1 1 37 37 GLU H H 1 7.63864 . . 1 . . . . . 178 GLU H . 27582 1 50 . 1 1 37 37 GLU N N 15 119.20090 . . 1 . . . . . 178 GLU N . 27582 1 51 . 1 1 38 38 LEU H H 1 8.63168 . . 1 . . . . . 179 LEU H . 27582 1 52 . 1 1 38 38 LEU N N 15 119.81591 . . 1 . . . . . 179 LEU N . 27582 1 53 . 1 1 39 39 ALA H H 1 8.30059 . . 1 . . . . . 180 ALA H . 27582 1 54 . 1 1 39 39 ALA N N 15 122.82337 . . 1 . . . . . 180 ALA N . 27582 1 55 . 1 1 40 40 VAL H H 1 7.80721 . . 1 . . . . . 181 VAL H . 27582 1 56 . 1 1 40 40 VAL N N 15 116.69364 . . 1 . . . . . 181 VAL N . 27582 1 57 . 1 1 41 41 MET H H 1 7.99710 . . 1 . . . . . 182 MET H . 27582 1 58 . 1 1 41 41 MET N N 15 119.35361 . . 1 . . . . . 182 MET N . 27582 1 59 . 1 1 42 42 LEU H H 1 8.29390 . . 1 . . . . . 183 LEU H . 27582 1 60 . 1 1 42 42 LEU N N 15 114.04026 . . 1 . . . . . 183 LEU N . 27582 1 61 . 1 1 43 43 ASN H H 1 7.86254 . . 1 . . . . . 184 ASN H . 27582 1 62 . 1 1 43 43 ASN N N 15 117.50888 . . 1 . . . . . 184 ASN N . 27582 1 63 . 1 1 44 44 LEU H H 1 8.40015 . . 1 . . . . . 185 LEU H . 27582 1 64 . 1 1 44 44 LEU N N 15 119.14024 . . 1 . . . . . 185 LEU N . 27582 1 65 . 1 1 45 45 THR H H 1 7.93069 . . 1 . . . . . 186 THR H . 27582 1 66 . 1 1 45 45 THR N N 15 109.40218 . . 1 . . . . . 186 THR N . 27582 1 67 . 1 1 46 46 GLU H H 1 9.22026 . . 1 . . . . . 187 GLU H . 27582 1 68 . 1 1 46 46 GLU N N 15 121.34724 . . 1 . . . . . 187 GLU N . 27582 1 69 . 1 1 47 47 ARG H H 1 8.17553 . . 1 . . . . . 188 ARG H . 27582 1 70 . 1 1 47 47 ARG N N 15 119.42415 . . 1 . . . . . 188 ARG N . 27582 1 71 . 1 1 48 48 HIS H H 1 7.96791 . . 1 . . . . . 189 HIS H . 27582 1 72 . 1 1 48 48 HIS N N 15 117.30196 . . 1 . . . . . 189 HIS N . 27582 1 73 . 1 1 49 49 ILE H H 1 7.83682 . . 1 . . . . . 190 ILE H . 27582 1 74 . 1 1 49 49 ILE N N 15 119.57615 . . 1 . . . . . 190 ILE N . 27582 1 75 . 1 1 50 50 LYS H H 1 8.60519 . . 1 . . . . . 191 LYS H . 27582 1 76 . 1 1 50 50 LYS N N 15 121.54352 . . 1 . . . . . 191 LYS N . 27582 1 77 . 1 1 51 51 ILE H H 1 8.53850 . . 1 . . . . . 192 ILE H . 27582 1 78 . 1 1 51 51 ILE N N 15 119.13086 . . 1 . . . . . 192 ILE N . 27582 1 79 . 1 1 52 52 TRP H H 1 8.27099 . . 1 . . . . . 193 TRP H . 27582 1 80 . 1 1 52 52 TRP N N 15 122.02211 . . 1 . . . . . 193 TRP N . 27582 1 81 . 1 1 53 53 PHE H H 1 8.88977 . . 1 . . . . . 194 PHE H . 27582 1 82 . 1 1 53 53 PHE N N 15 118.55812 . . 1 . . . . . 194 PHE N . 27582 1 83 . 1 1 54 54 GLN H H 1 8.05128 . . 1 . . . . . 195 GLN H . 27582 1 84 . 1 1 54 54 GLN N N 15 118.79113 . . 1 . . . . . 195 GLN N . 27582 1 85 . 1 1 55 55 ASN H H 1 8.27299 . . 1 . . . . . 196 ASN H . 27582 1 86 . 1 1 55 55 ASN N N 15 118.70193 . . 1 . . . . . 196 ASN N . 27582 1 87 . 1 1 56 56 ARG H H 1 8.48421 . . 1 . . . . . 197 ARG H . 27582 1 88 . 1 1 56 56 ARG N N 15 124.20242 . . 1 . . . . . 197 ARG N . 27582 1 89 . 1 1 57 57 ARG H H 1 8.32762 . . 1 . . . . . 198 ARG H . 27582 1 90 . 1 1 57 57 ARG N N 15 119.47735 . . 1 . . . . . 198 ARG N . 27582 1 91 . 1 1 58 58 MET H H 1 7.52896 . . 1 . . . . . 199 MET H . 27582 1 92 . 1 1 58 58 MET N N 15 119.17868 . . 1 . . . . . 199 MET N . 27582 1 93 . 1 1 59 59 LYS H H 1 7.56843 . . 1 . . . . . 200 LYS H . 27582 1 94 . 1 1 59 59 LYS N N 15 120.51338 . . 1 . . . . . 200 LYS N . 27582 1 95 . 1 1 60 60 TRP H H 1 8.10798 . . 1 . . . . . 201 TRP H . 27582 1 96 . 1 1 60 60 TRP N N 15 120.39217 . . 1 . . . . . 201 TRP N . 27582 1 97 . 1 1 61 61 LYS H H 1 8.39315 . . 1 . . . . . 202 LYS H . 27582 1 98 . 1 1 61 61 LYS N N 15 119.39801 . . 1 . . . . . 202 LYS N . 27582 1 99 . 1 1 62 62 LYS H H 1 7.71048 . . 1 . . . . . 203 LYS H . 27582 1 100 . 1 1 62 62 LYS N N 15 118.23669 . . 1 . . . . . 203 LYS N . 27582 1 101 . 1 1 63 63 GLU H H 1 7.95198 . . 1 . . . . . 204 GLU H . 27582 1 102 . 1 1 63 63 GLU N N 15 119.25274 . . 1 . . . . . 204 GLU N . 27582 1 103 . 1 1 66 66 LYS H H 1 7.71209 . . 1 . . . . . 207 LYS H . 27582 1 104 . 1 1 66 66 LYS N N 15 120.12123 . . 1 . . . . . 207 LYS N . 27582 1 105 . 1 1 67 67 LYS H H 1 7.79800 . . 1 . . . . . 208 LYS H . 27582 1 106 . 1 1 67 67 LYS N N 15 119.42004 . . 1 . . . . . 208 LYS N . 27582 1 107 . 1 1 68 68 ARG H H 1 7.87795 . . 1 . . . . . 209 ARG H . 27582 1 108 . 1 1 68 68 ARG N N 15 119.41862 . . 1 . . . . . 209 ARG N . 27582 1 109 . 1 1 69 69 GLY H H 1 8.12865 . . 1 . . . . . 210 GLY H . 27582 1 110 . 1 1 69 69 GLY N N 15 108.68316 . . 1 . . . . . 210 GLY N . 27582 1 111 . 1 1 72 72 THR H H 1 8.07779 . . 1 . . . . . 213 THR H . 27582 1 112 . 1 1 72 72 THR N N 15 113.68029 . . 1 . . . . . 213 THR N . 27582 1 113 . 1 1 73 73 ALA H H 1 8.35103 . . 1 . . . . . 214 ALA H . 27582 1 114 . 1 1 73 73 ALA N N 15 126.75707 . . 1 . . . . . 214 ALA N . 27582 1 115 . 1 1 74 74 VAL H H 1 8.12494 . . 1 . . . . . 215 VAL H . 27582 1 116 . 1 1 74 74 VAL N N 15 119.56093 . . 1 . . . . . 215 VAL N . 27582 1 117 . 1 1 75 75 GLY H H 1 8.48029 . . 1 . . . . . 216 GLY H . 27582 1 118 . 1 1 75 75 GLY N N 15 112.68465 . . 1 . . . . . 216 GLY N . 27582 1 119 . 1 1 79 79 VAL H H 1 7.96050 . . 1 . . . . . 220 VAL H . 27582 1 120 . 1 1 79 79 VAL N N 15 119.11854 . . 1 . . . . . 220 VAL N . 27582 1 121 . 1 1 80 80 ALA H H 1 8.36564 . . 1 . . . . . 221 ALA H . 27582 1 122 . 1 1 80 80 ALA N N 15 128.02498 . . 1 . . . . . 221 ALA N . 27582 1 123 . 1 1 81 81 GLU H H 1 8.29949 . . 1 . . . . . 222 GLU H . 27582 1 124 . 1 1 81 81 GLU N N 15 121.78155 . . 1 . . . . . 222 GLU N . 27582 1 125 . 1 1 83 83 GLU H H 1 8.52301 . . 1 . . . . . 224 GLU H . 27582 1 126 . 1 1 83 83 GLU N N 15 121.00499 . . 1 . . . . . 224 GLU N . 27582 1 127 . 1 1 84 84 GLN H H 1 8.36886 . . 1 . . . . . 225 GLN H . 27582 1 128 . 1 1 84 84 GLN N N 15 121.16962 . . 1 . . . . . 225 GLN N . 27582 1 129 . 1 1 85 85 ASP H H 1 8.45166 . . 1 . . . . . 226 ASP H . 27582 1 130 . 1 1 85 85 ASP N N 15 121.89181 . . 1 . . . . . 226 ASP N . 27582 1 131 . 1 1 86 86 CYS H H 1 8.25997 . . 1 . . . . . 227 CYS H . 27582 1 132 . 1 1 86 86 CYS N N 15 119.75164 . . 1 . . . . . 227 CYS N . 27582 1 133 . 1 1 87 87 ALA H H 1 8.37340 . . 1 . . . . . 228 ALA H . 27582 1 134 . 1 1 87 87 ALA N N 15 126.28379 . . 1 . . . . . 228 ALA N . 27582 1 135 . 1 1 88 88 VAL H H 1 8.10621 . . 1 . . . . . 229 VAL H . 27582 1 136 . 1 1 88 88 VAL N N 15 119.32239 . . 1 . . . . . 229 VAL N . 27582 1 137 . 1 1 89 89 THR H H 1 8.22103 . . 1 . . . . . 230 THR H . 27582 1 138 . 1 1 89 89 THR N N 15 117.67503 . . 1 . . . . . 230 THR N . 27582 1 139 . 1 1 90 90 SER H H 1 8.34957 . . 1 . . . . . 231 SER H . 27582 1 140 . 1 1 90 90 SER N N 15 118.16414 . . 1 . . . . . 231 SER N . 27582 1 141 . 1 1 91 91 GLY H H 1 8.40183 . . 1 . . . . . 232 GLY H . 27582 1 142 . 1 1 91 91 GLY N N 15 111.42592 . . 1 . . . . . 232 GLY N . 27582 1 143 . 1 1 92 92 GLU H H 1 7.90582 . . 1 . . . . . 233 GLU H . 27582 1 144 . 1 1 92 92 GLU N N 15 125.57486 . . 1 . . . . . 233 GLU N . 27582 1 stop_ save_