################################### # 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_PTB_Domain_of_IRS-1_Apo _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PTB_Domain_of_IRS-1_Apo _Assigned_chem_shift_list.Entry_ID 15959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $PTB_Domain_of_IRS-1_Apo_Sample_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '3D HNCACB' . . . 15959 1 2 '3D CBCA(CO)NH' . . . 15959 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 3 3 ALA H H 1 8.179 0.002 . 1 . . . . 159 ALA H . 15959 1 2 . 1 1 3 3 ALA N N 15 123.613 0.059 . 1 . . . . 159 ALA N . 15959 1 3 . 1 1 4 4 PHE H H 1 7.804 0.002 . 1 . . . . 160 PHE H . 15959 1 4 . 1 1 4 4 PHE N N 15 118.541 0.059 . 1 . . . . 160 PHE N . 15959 1 5 . 1 1 5 5 LYS H H 1 8.55 0.002 . 1 . . . . 161 LYS H . 15959 1 6 . 1 1 5 5 LYS N N 15 123.975 0.059 . 1 . . . . 161 LYS N . 15959 1 7 . 1 1 6 6 GLU H H 1 7.607 0.002 . 1 . . . . 162 GLU H . 15959 1 8 . 1 1 6 6 GLU N N 15 117.885 0.059 . 1 . . . . 162 GLU N . 15959 1 9 . 1 1 7 7 VAL H H 1 7.759 0.002 . 1 . . . . 163 VAL H . 15959 1 10 . 1 1 7 7 VAL N N 15 120.318 0.059 . 1 . . . . 163 VAL N . 15959 1 11 . 1 1 8 8 TRP H H 1 8.892 0.002 . 1 . . . . 164 TRP H . 15959 1 12 . 1 1 8 8 TRP HE1 H 1 10.018 0.002 . 1 . . . . 164 TRP HE1 . 15959 1 13 . 1 1 8 8 TRP N N 15 125.174 0.059 . 1 . . . . 164 TRP N . 15959 1 14 . 1 1 8 8 TRP NE1 N 15 129.384 0.059 . 1 . . . . 164 TRP NE1 . 15959 1 15 . 1 1 9 9 GLN H H 1 9.058 0.002 . 1 . . . . 165 GLN H . 15959 1 16 . 1 1 9 9 GLN N N 15 123.97 0.059 . 1 . . . . 165 GLN N . 15959 1 17 . 1 1 10 10 VAL H H 1 9.348 0.002 . 1 . . . . 166 VAL H . 15959 1 18 . 1 1 10 10 VAL N N 15 119.364 0.059 . 1 . . . . 166 VAL N . 15959 1 19 . 1 1 11 11 ILE H H 1 8.636 0.002 . 1 . . . . 167 ILE H . 15959 1 20 . 1 1 11 11 ILE N N 15 119.718 0.059 . 1 . . . . 167 ILE N . 15959 1 21 . 1 1 12 12 LEU H H 1 9.494 0.002 . 1 . . . . 168 LEU H . 15959 1 22 . 1 1 12 12 LEU N N 15 130.652 0.059 . 1 . . . . 168 LEU N . 15959 1 23 . 1 1 13 13 LYS H H 1 8.699 0.002 . 1 . . . . 169 LYS H . 15959 1 24 . 1 1 13 13 LYS N N 15 123.202 0.059 . 1 . . . . 169 LYS N . 15959 1 25 . 1 1 15 15 LYS H H 1 8.029 0.002 . 1 . . . . 171 LYS H . 15959 1 26 . 1 1 15 15 LYS N N 15 122.251 0.059 . 1 . . . . 171 LYS N . 15959 1 27 . 1 1 17 17 LEU H H 1 9.252 0.002 . 1 . . . . 173 LEU H . 15959 1 28 . 1 1 17 17 LEU N N 15 126.934 0.059 . 1 . . . . 173 LEU N . 15959 1 29 . 1 1 18 18 GLY H H 1 7.938 0.002 . 1 . . . . 174 GLY H . 15959 1 30 . 1 1 18 18 GLY N N 15 106.005 0.059 . 1 . . . . 174 GLY N . 15959 1 31 . 1 1 19 19 GLN H H 1 7.271 0.002 . 1 . . . . 175 GLN H . 15959 1 32 . 1 1 19 19 GLN N N 15 117.67 0.059 . 1 . . . . 175 GLN N . 15959 1 33 . 1 1 20 20 THR H H 1 7.969 0.002 . 1 . . . . 176 THR H . 15959 1 34 . 1 1 20 20 THR N N 15 112.794 0.059 . 1 . . . . 176 THR N . 15959 1 35 . 1 1 21 21 LYS H H 1 8.276 0.002 . 1 . . . . 177 LYS H . 15959 1 36 . 1 1 21 21 LYS N N 15 116.624 0.059 . 1 . . . . 177 LYS N . 15959 1 37 . 1 1 22 22 ASN H H 1 7.567 0.002 . 1 . . . . 178 ASN H . 15959 1 38 . 1 1 22 22 ASN N N 15 117.852 0.059 . 1 . . . . 178 ASN N . 15959 1 39 . 1 1 23 23 LEU H H 1 8.642 0.002 . 1 . . . . 179 LEU H . 15959 1 40 . 1 1 23 23 LEU N N 15 123.604 0.059 . 1 . . . . 179 LEU N . 15959 1 41 . 1 1 24 24 ILE H H 1 7.237 0.002 . 1 . . . . 180 ILE H . 15959 1 42 . 1 1 24 24 ILE N N 15 115.524 0.059 . 1 . . . . 180 ILE N . 15959 1 43 . 1 1 25 25 GLY H H 1 8.537 0.002 . 1 . . . . 181 GLY H . 15959 1 44 . 1 1 25 25 GLY N N 15 113.168 0.059 . 1 . . . . 181 GLY N . 15959 1 45 . 1 1 26 26 ILE H H 1 8.397 0.002 . 1 . . . . 182 ILE H . 15959 1 46 . 1 1 26 26 ILE N N 15 121.667 0.059 . 1 . . . . 182 ILE N . 15959 1 47 . 1 1 27 27 TYR H H 1 9.287 0.002 . 1 . . . . 183 TYR H . 15959 1 48 . 1 1 27 27 TYR N N 15 127.822 0.059 . 1 . . . . 183 TYR N . 15959 1 49 . 1 1 28 28 ARG H H 1 9.452 0.002 . 1 . . . . 184 ARG H . 15959 1 50 . 1 1 28 28 ARG N N 15 118.435 0.059 . 1 . . . . 184 ARG N . 15959 1 51 . 1 1 29 29 LEU H H 1 9.576 0.002 . 1 . . . . 185 LEU H . 15959 1 52 . 1 1 29 29 LEU N N 15 128.382 0.059 . 1 . . . . 185 LEU N . 15959 1 53 . 1 1 30 30 CYS H H 1 8.912 0.002 . 1 . . . . 186 CYS H . 15959 1 54 . 1 1 30 30 CYS N N 15 123.848 0.059 . 1 . . . . 186 CYS N . 15959 1 55 . 1 1 31 31 LEU H H 1 9.15 0.002 . 1 . . . . 187 LEU H . 15959 1 56 . 1 1 31 31 LEU N N 15 130.955 0.059 . 1 . . . . 187 LEU N . 15959 1 57 . 1 1 32 32 THR H H 1 8.986 0.002 . 1 . . . . 188 THR H . 15959 1 58 . 1 1 32 32 THR N N 15 118.286 0.059 . 1 . . . . 188 THR N . 15959 1 59 . 1 1 33 33 SER H H 1 8.495 0.002 . 1 . . . . 189 SER H . 15959 1 60 . 1 1 33 33 SER N N 15 109.742 0.059 . 1 . . . . 189 SER N . 15959 1 61 . 1 1 34 34 LYS H H 1 7.798 0.002 . 1 . . . . 190 LYS H . 15959 1 62 . 1 1 34 34 LYS N N 15 114.06 0.059 . 1 . . . . 190 LYS N . 15959 1 63 . 1 1 35 35 THR H H 1 7.834 0.002 . 1 . . . . 191 THR H . 15959 1 64 . 1 1 35 35 THR N N 15 110.301 0.059 . 1 . . . . 191 THR N . 15959 1 65 . 1 1 36 36 ILE H H 1 8.922 0.002 . 1 . . . . 192 ILE H . 15959 1 66 . 1 1 36 36 ILE N N 15 116.76 0.059 . 1 . . . . 192 ILE N . 15959 1 67 . 1 1 37 37 SER H H 1 8.69 0.002 . 1 . . . . 193 SER H . 15959 1 68 . 1 1 37 37 SER N N 15 118.785 0.059 . 1 . . . . 193 SER N . 15959 1 69 . 1 1 38 38 PHE H H 1 8.396 0.002 . 1 . . . . 194 PHE H . 15959 1 70 . 1 1 38 38 PHE N N 15 120.802 0.059 . 1 . . . . 194 PHE N . 15959 1 71 . 1 1 39 39 VAL H H 1 9.413 0.002 . 1 . . . . 195 VAL H . 15959 1 72 . 1 1 39 39 VAL N N 15 125.345 0.059 . 1 . . . . 195 VAL N . 15959 1 73 . 1 1 40 40 LYS H H 1 9.547 0.002 . 1 . . . . 196 LYS H . 15959 1 74 . 1 1 40 40 LYS N N 15 131.757 0.059 . 1 . . . . 196 LYS N . 15959 1 75 . 1 1 41 41 LEU H H 1 7.874 0.002 . 1 . . . . 197 LEU H . 15959 1 76 . 1 1 41 41 LEU N N 15 123.385 0.059 . 1 . . . . 197 LEU N . 15959 1 77 . 1 1 42 42 ASN H H 1 8.585 0.002 . 1 . . . . 198 ASN H . 15959 1 78 . 1 1 42 42 ASN N N 15 116.187 0.059 . 1 . . . . 198 ASN N . 15959 1 79 . 1 1 43 43 SER H H 1 7.718 0.002 . 1 . . . . 199 SER H . 15959 1 80 . 1 1 43 43 SER N N 15 113.398 0.059 . 1 . . . . 199 SER N . 15959 1 81 . 1 1 44 44 GLU H H 1 8.449 0.002 . 1 . . . . 200 GLU H . 15959 1 82 . 1 1 44 44 GLU N N 15 120.642 0.059 . 1 . . . . 200 GLU N . 15959 1 83 . 1 1 45 45 ALA H H 1 7.985 0.002 . 1 . . . . 201 ALA H . 15959 1 84 . 1 1 45 45 ALA N N 15 122.779 0.059 . 1 . . . . 201 ALA N . 15959 1 85 . 1 1 46 46 ALA H H 1 8.681 0.002 . 1 . . . . 202 ALA H . 15959 1 86 . 1 1 46 46 ALA N N 15 124.236 0.059 . 1 . . . . 202 ALA N . 15959 1 87 . 1 1 47 47 ALA H H 1 9.014 0.002 . 1 . . . . 203 ALA H . 15959 1 88 . 1 1 47 47 ALA N N 15 126.724 0.059 . 1 . . . . 203 ALA N . 15959 1 89 . 1 1 48 48 VAL H H 1 7.387 0.002 . 1 . . . . 204 VAL H . 15959 1 90 . 1 1 48 48 VAL N N 15 114.025 0.059 . 1 . . . . 204 VAL N . 15959 1 91 . 1 1 49 49 VAL H H 1 8.387 0.002 . 1 . . . . 205 VAL H . 15959 1 92 . 1 1 49 49 VAL N N 15 128.12 0.059 . 1 . . . . 205 VAL N . 15959 1 93 . 1 1 50 50 LEU H H 1 9.406 0.002 . 1 . . . . 206 LEU H . 15959 1 94 . 1 1 50 50 LEU N N 15 126.589 0.059 . 1 . . . . 206 LEU N . 15959 1 95 . 1 1 51 51 GLN H H 1 9.045 0.002 . 1 . . . . 207 GLN H . 15959 1 96 . 1 1 51 51 GLN N N 15 122.492 0.059 . 1 . . . . 207 GLN N . 15959 1 97 . 1 1 52 52 LEU H H 1 8.436 0.002 . 1 . . . . 208 LEU H . 15959 1 98 . 1 1 52 52 LEU N N 15 125.392 0.059 . 1 . . . . 208 LEU N . 15959 1 99 . 1 1 53 53 MET H H 1 8.339 0.002 . 1 . . . . 209 MET H . 15959 1 100 . 1 1 53 53 MET N N 15 112.983 0.059 . 1 . . . . 209 MET N . 15959 1 101 . 1 1 54 54 ASN H H 1 7.828 0.002 . 1 . . . . 210 ASN H . 15959 1 102 . 1 1 54 54 ASN N N 15 114.818 0.059 . 1 . . . . 210 ASN N . 15959 1 103 . 1 1 55 55 ILE H H 1 7.603 0.002 . 1 . . . . 211 ILE H . 15959 1 104 . 1 1 55 55 ILE N N 15 121.36 0.059 . 1 . . . . 211 ILE N . 15959 1 105 . 1 1 56 56 ARG H H 1 9.131 0.002 . 1 . . . . 212 ARG H . 15959 1 106 . 1 1 56 56 ARG N N 15 127.36 0.059 . 1 . . . . 212 ARG N . 15959 1 107 . 1 1 57 57 ARG H H 1 7.743 0.002 . 1 . . . . 213 ARG H . 15959 1 108 . 1 1 57 57 ARG N N 15 114.41 0.059 . 1 . . . . 213 ARG N . 15959 1 109 . 1 1 58 58 CYS H H 1 8.527 0.002 . 1 . . . . 214 CYS H . 15959 1 110 . 1 1 58 58 CYS N N 15 116.469 0.059 . 1 . . . . 214 CYS N . 15959 1 111 . 1 1 59 59 GLY H H 1 6.809 0.002 . 1 . . . . 215 GLY H . 15959 1 112 . 1 1 59 59 GLY N N 15 105.402 0.059 . 1 . . . . 215 GLY N . 15959 1 113 . 1 1 60 60 HIS H H 1 8.05 0.002 . 1 . . . . 216 HIS H . 15959 1 114 . 1 1 60 60 HIS N N 15 112.735 0.059 . 1 . . . . 216 HIS N . 15959 1 115 . 1 1 61 61 SER H H 1 8.778 0.002 . 1 . . . . 217 SER H . 15959 1 116 . 1 1 61 61 SER N N 15 116.413 0.059 . 1 . . . . 217 SER N . 15959 1 117 . 1 1 62 62 GLU H H 1 9.45 0.002 . 1 . . . . 218 GLU H . 15959 1 118 . 1 1 62 62 GLU N N 15 125.555 0.059 . 1 . . . . 218 GLU N . 15959 1 119 . 1 1 63 63 ASN H H 1 8.517 0.002 . 1 . . . . 219 ASN H . 15959 1 120 . 1 1 63 63 ASN N N 15 118.443 0.059 . 1 . . . . 219 ASN N . 15959 1 121 . 1 1 64 64 PHE H H 1 8.654 0.002 . 1 . . . . 220 PHE H . 15959 1 122 . 1 1 64 64 PHE N N 15 117.229 0.059 . 1 . . . . 220 PHE N . 15959 1 123 . 1 1 65 65 PHE H H 1 9.398 0.002 . 1 . . . . 221 PHE H . 15959 1 124 . 1 1 65 65 PHE N N 15 122.995 0.059 . 1 . . . . 221 PHE N . 15959 1 125 . 1 1 66 66 PHE H H 1 7.578 0.002 . 1 . . . . 222 PHE H . 15959 1 126 . 1 1 66 66 PHE N N 15 124.054 0.059 . 1 . . . . 222 PHE N . 15959 1 127 . 1 1 67 67 ILE H H 1 8.059 0.002 . 1 . . . . 223 ILE H . 15959 1 128 . 1 1 67 67 ILE N N 15 113.358 0.059 . 1 . . . . 223 ILE N . 15959 1 129 . 1 1 68 68 GLU H H 1 9.023 0.002 . 1 . . . . 224 GLU H . 15959 1 130 . 1 1 68 68 GLU N N 15 125.851 0.059 . 1 . . . . 224 GLU N . 15959 1 131 . 1 1 69 69 VAL H H 1 9.556 0.002 . 1 . . . . 225 VAL H . 15959 1 132 . 1 1 69 69 VAL N N 15 122.536 0.059 . 1 . . . . 225 VAL N . 15959 1 133 . 1 1 70 70 GLY H H 1 8.586 0.002 . 1 . . . . 226 GLY H . 15959 1 134 . 1 1 70 70 GLY N N 15 109.678 0.059 . 1 . . . . 226 GLY N . 15959 1 135 . 1 1 71 71 ARG H H 1 8.424 0.002 . 1 . . . . 227 ARG H . 15959 1 136 . 1 1 71 71 ARG N N 15 115.394 0.059 . 1 . . . . 227 ARG N . 15959 1 137 . 1 1 72 72 SER H H 1 8.294 0.002 . 1 . . . . 228 SER H . 15959 1 138 . 1 1 72 72 SER N N 15 112.781 0.059 . 1 . . . . 228 SER N . 15959 1 139 . 1 1 73 73 ALA H H 1 7.439 0.002 . 1 . . . . 229 ALA H . 15959 1 140 . 1 1 73 73 ALA N N 15 122.552 0.059 . 1 . . . . 229 ALA N . 15959 1 141 . 1 1 74 74 VAL H H 1 8.912 0.002 . 1 . . . . 230 VAL H . 15959 1 142 . 1 1 74 74 VAL N N 15 122.138 0.059 . 1 . . . . 230 VAL N . 15959 1 143 . 1 1 75 75 THR H H 1 6.917 0.002 . 1 . . . . 231 THR H . 15959 1 144 . 1 1 75 75 THR N N 15 106.727 0.059 . 1 . . . . 231 THR N . 15959 1 145 . 1 1 76 76 GLY H H 1 7.67 0.002 . 1 . . . . 232 GLY H . 15959 1 146 . 1 1 76 76 GLY N N 15 109.422 0.059 . 1 . . . . 232 GLY N . 15959 1 147 . 1 1 78 78 GLY H H 1 7.808 0.002 . 1 . . . . 234 GLY H . 15959 1 148 . 1 1 78 78 GLY N N 15 106.689 0.059 . 1 . . . . 234 GLY N . 15959 1 149 . 1 1 79 79 GLU H H 1 8.621 0.002 . 1 . . . . 235 GLU H . 15959 1 150 . 1 1 79 79 GLU N N 15 116.816 0.059 . 1 . . . . 235 GLU N . 15959 1 151 . 1 1 80 80 PHE H H 1 9.016 0.002 . 1 . . . . 236 PHE H . 15959 1 152 . 1 1 80 80 PHE N N 15 118.286 0.059 . 1 . . . . 236 PHE N . 15959 1 153 . 1 1 81 81 TRP H H 1 10.235 0.002 . 1 . . . . 237 TRP H . 15959 1 154 . 1 1 81 81 TRP HE1 H 1 10.647 0.002 . 1 . . . . 237 TRP HE1 . 15959 1 155 . 1 1 81 81 TRP N N 15 123.144 0.059 . 1 . . . . 237 TRP N . 15959 1 156 . 1 1 81 81 TRP NE1 N 15 132.12 0.059 . 1 . . . . 237 TRP NE1 . 15959 1 157 . 1 1 82 82 MET H H 1 9.454 0.002 . 1 . . . . 238 MET H . 15959 1 158 . 1 1 82 82 MET N N 15 119.719 0.059 . 1 . . . . 238 MET N . 15959 1 159 . 1 1 83 83 GLN H H 1 9.536 0.002 . 1 . . . . 239 GLN H . 15959 1 160 . 1 1 83 83 GLN N N 15 124.017 0.059 . 1 . . . . 239 GLN N . 15959 1 161 . 1 1 84 84 VAL H H 1 8.633 0.002 . 1 . . . . 240 VAL H . 15959 1 162 . 1 1 84 84 VAL N N 15 118.979 0.059 . 1 . . . . 240 VAL N . 15959 1 163 . 1 1 85 85 ASP H H 1 8.52 0.002 . 1 . . . . 241 ASP H . 15959 1 164 . 1 1 85 85 ASP N N 15 116.981 0.059 . 1 . . . . 241 ASP N . 15959 1 165 . 1 1 86 86 ASP H H 1 7.212 0.002 . 1 . . . . 242 ASP H . 15959 1 166 . 1 1 86 86 ASP N N 15 109.534 0.059 . 1 . . . . 242 ASP N . 15959 1 167 . 1 1 87 87 SER H H 1 8.626 0.002 . 1 . . . . 243 SER H . 15959 1 168 . 1 1 87 87 SER N N 15 114.253 0.059 . 1 . . . . 243 SER N . 15959 1 169 . 1 1 88 88 VAL H H 1 8.209 0.002 . 1 . . . . 244 VAL H . 15959 1 170 . 1 1 88 88 VAL N N 15 127.138 0.059 . 1 . . . . 244 VAL N . 15959 1 171 . 1 1 89 89 VAL H H 1 8.461 0.002 . 1 . . . . 245 VAL H . 15959 1 172 . 1 1 89 89 VAL N N 15 122.099 0.059 . 1 . . . . 245 VAL N . 15959 1 173 . 1 1 90 90 ALA H H 1 7.258 0.002 . 1 . . . . 246 ALA H . 15959 1 174 . 1 1 90 90 ALA N N 15 120.439 0.059 . 1 . . . . 246 ALA N . 15959 1 175 . 1 1 91 91 GLN H H 1 7.54 0.002 . 1 . . . . 247 GLN H . 15959 1 176 . 1 1 91 91 GLN N N 15 116.622 0.059 . 1 . . . . 247 GLN N . 15959 1 177 . 1 1 92 92 ASN H H 1 8.269 0.002 . 1 . . . . 248 ASN H . 15959 1 178 . 1 1 92 92 ASN N N 15 119.592 0.059 . 1 . . . . 248 ASN N . 15959 1 179 . 1 1 93 93 MET H H 1 8.538 0.002 . 1 . . . . 249 MET H . 15959 1 180 . 1 1 93 93 MET N N 15 122.987 0.059 . 1 . . . . 249 MET N . 15959 1 181 . 1 1 94 94 HIS H H 1 7.229 0.002 . 1 . . . . 250 HIS H . 15959 1 182 . 1 1 94 94 HIS N N 15 117.95 0.059 . 1 . . . . 250 HIS N . 15959 1 183 . 1 1 95 95 GLU H H 1 8.355 0.002 . 1 . . . . 251 GLU H . 15959 1 184 . 1 1 95 95 GLU N N 15 116.508 0.059 . 1 . . . . 251 GLU N . 15959 1 185 . 1 1 96 96 THR H H 1 8.317 0.002 . 1 . . . . 252 THR H . 15959 1 186 . 1 1 96 96 THR N N 15 116.36 0.059 . 1 . . . . 252 THR N . 15959 1 187 . 1 1 97 97 ILE H H 1 8.52 0.002 . 1 . . . . 253 ILE H . 15959 1 188 . 1 1 97 97 ILE N N 15 123.979 0.059 . 1 . . . . 253 ILE N . 15959 1 189 . 1 1 98 98 LEU H H 1 8.305 0.002 . 1 . . . . 254 LEU H . 15959 1 190 . 1 1 98 98 LEU N N 15 120.653 0.059 . 1 . . . . 254 LEU N . 15959 1 191 . 1 1 99 99 GLU H H 1 7.782 0.002 . 1 . . . . 255 GLU H . 15959 1 192 . 1 1 99 99 GLU N N 15 119.008 0.059 . 1 . . . . 255 GLU N . 15959 1 193 . 1 1 100 100 ALA H H 1 7.836 0.002 . 1 . . . . 256 ALA H . 15959 1 194 . 1 1 100 100 ALA N N 15 123.078 0.059 . 1 . . . . 256 ALA N . 15959 1 195 . 1 1 101 101 MET H H 1 8.582 0.002 . 1 . . . . 257 MET H . 15959 1 196 . 1 1 101 101 MET N N 15 118.495 0.059 . 1 . . . . 257 MET N . 15959 1 197 . 1 1 102 102 ARG H H 1 8.327 0.002 . 1 . . . . 258 ARG H . 15959 1 198 . 1 1 102 102 ARG N N 15 120.858 0.059 . 1 . . . . 258 ARG N . 15959 1 199 . 1 1 103 103 ALA H H 1 7.939 0.002 . 1 . . . . 259 ALA H . 15959 1 200 . 1 1 103 103 ALA N N 15 120.655 0.059 . 1 . . . . 259 ALA N . 15959 1 201 . 1 1 104 104 MET H H 1 7.489 0.002 . 1 . . . . 260 MET H . 15959 1 202 . 1 1 104 104 MET N N 15 116.248 0.059 . 1 . . . . 260 MET N . 15959 1 203 . 1 1 105 105 SER H H 1 7.925 0.002 . 1 . . . . 261 SER H . 15959 1 204 . 1 1 105 105 SER N N 15 114.858 0.059 . 1 . . . . 261 SER N . 15959 1 205 . 1 1 106 106 ASP H H 1 8.281 0.002 . 1 . . . . 262 ASP H . 15959 1 206 . 1 1 106 106 ASP N N 15 122.616 0.059 . 1 . . . . 262 ASP N . 15959 1 207 . 1 1 107 107 GLU H H 1 8.11 0.002 . 1 . . . . 263 GLU H . 15959 1 208 . 1 1 107 107 GLU N N 15 119.925 0.059 . 1 . . . . 263 GLU N . 15959 1 209 . 1 1 108 108 PHE H H 1 7.977 0.002 . 1 . . . . 264 PHE H . 15959 1 210 . 1 1 108 108 PHE N N 15 119.13 0.059 . 1 . . . . 264 PHE N . 15959 1 211 . 1 1 109 109 ARG H H 1 7.743 0.002 . 1 . . . . 265 ARG H . 15959 1 212 . 1 1 109 109 ARG N N 15 123.803 0.059 . 1 . . . . 265 ARG N . 15959 1 213 . 1 1 111 111 ARG H H 1 7.994 0.002 . 1 . . . . 267 ARG H . 15959 1 214 . 1 1 111 111 ARG N N 15 126.676 0.059 . 1 . . . . 267 ARG N . 15959 1 stop_ save_