################################### # 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_Bound _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PTB_Domain_of_IRS-1_Bound _Assigned_chem_shift_list.Entry_ID 7429 _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_Bound_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' . . . 7429 1 2 '3D CBCA(CO)NH' . . . 7429 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 8.165 0.002 . 1 . . . . 159 ALA H . 7429 1 2 . 1 1 3 3 ALA N N 15 123.601 0.059 . 1 . . . . 159 ALA N . 7429 1 3 . 1 1 4 4 PHE H H 1 7.793 0.002 . 1 . . . . 160 PHE H . 7429 1 4 . 1 1 4 4 PHE N N 15 118.585 0.059 . 1 . . . . 160 PHE N . 7429 1 5 . 1 1 5 5 LYS H H 1 8.548 0.002 . 1 . . . . 161 LYS H . 7429 1 6 . 1 1 5 5 LYS N N 15 123.983 0.059 . 1 . . . . 161 LYS N . 7429 1 7 . 1 1 6 6 GLU H H 1 7.606 0.002 . 1 . . . . 162 GLU H . 7429 1 8 . 1 1 6 6 GLU N N 15 118.002 0.059 . 1 . . . . 162 GLU N . 7429 1 9 . 1 1 7 7 VAL H H 1 7.774 0.002 . 1 . . . . 163 VAL H . 7429 1 10 . 1 1 7 7 VAL N N 15 120.341 0.059 . 1 . . . . 163 VAL N . 7429 1 11 . 1 1 8 8 TRP H H 1 8.874 0.002 . 1 . . . . 164 TRP H . 7429 1 12 . 1 1 8 8 TRP HE1 H 1 9.988 0.002 . 1 . . . . 164 TRP HE1 . 7429 1 13 . 1 1 8 8 TRP N N 15 125.035 0.059 . 1 . . . . 164 TRP N . 7429 1 14 . 1 1 8 8 TRP NE1 N 15 129.178 0.059 . 1 . . . . 164 TRP NE1 . 7429 1 15 . 1 1 9 9 GLN H H 1 9.038 0.002 . 1 . . . . 165 GLN H . 7429 1 16 . 1 1 9 9 GLN N N 15 123.886 0.059 . 1 . . . . 165 GLN N . 7429 1 17 . 1 1 10 10 VAL H H 1 9.346 0.002 . 1 . . . . 166 VAL H . 7429 1 18 . 1 1 10 10 VAL N N 15 119.264 0.059 . 1 . . . . 166 VAL N . 7429 1 19 . 1 1 11 11 ILE H H 1 8.649 0.002 . 1 . . . . 167 ILE H . 7429 1 20 . 1 1 11 11 ILE N N 15 119.719 0.059 . 1 . . . . 167 ILE N . 7429 1 21 . 1 1 12 12 LEU H H 1 9.51 0.002 . 1 . . . . 168 LEU H . 7429 1 22 . 1 1 12 12 LEU N N 15 130.5 0.059 . 1 . . . . 168 LEU N . 7429 1 23 . 1 1 13 13 LYS H H 1 8.716 0.002 . 1 . . . . 169 LYS H . 7429 1 24 . 1 1 13 13 LYS N N 15 123.46 0.059 . 1 . . . . 169 LYS N . 7429 1 25 . 1 1 15 15 LYS H H 1 8.006 0.002 . 1 . . . . 171 LYS H . 7429 1 26 . 1 1 15 15 LYS N N 15 122.099 0.059 . 1 . . . . 171 LYS N . 7429 1 27 . 1 1 17 17 LEU H H 1 9.327 0.002 . 1 . . . . 173 LEU H . 7429 1 28 . 1 1 17 17 LEU N N 15 127.181 0.059 . 1 . . . . 173 LEU N . 7429 1 29 . 1 1 18 18 GLY H H 1 7.902 0.002 . 1 . . . . 174 GLY H . 7429 1 30 . 1 1 18 18 GLY N N 15 105.943 0.059 . 1 . . . . 174 GLY N . 7429 1 31 . 1 1 19 19 GLN H H 1 7.255 0.002 . 1 . . . . 175 GLN H . 7429 1 32 . 1 1 19 19 GLN N N 15 117.487 0.059 . 1 . . . . 175 GLN N . 7429 1 33 . 1 1 20 20 THR H H 1 7.967 0.002 . 1 . . . . 176 THR H . 7429 1 34 . 1 1 20 20 THR N N 15 112.516 0.059 . 1 . . . . 176 THR N . 7429 1 35 . 1 1 21 21 LYS H H 1 8.321 0.002 . 1 . . . . 177 LYS H . 7429 1 36 . 1 1 21 21 LYS N N 15 116.637 0.059 . 1 . . . . 177 LYS N . 7429 1 37 . 1 1 22 22 ASN H H 1 7.55 0.002 . 1 . . . . 178 ASN H . 7429 1 38 . 1 1 22 22 ASN N N 15 117.811 0.059 . 1 . . . . 178 ASN N . 7429 1 39 . 1 1 23 23 LEU H H 1 8.618 0.002 . 1 . . . . 179 LEU H . 7429 1 40 . 1 1 23 23 LEU N N 15 123.784 0.059 . 1 . . . . 179 LEU N . 7429 1 41 . 1 1 24 24 ILE H H 1 7.17 0.002 . 1 . . . . 180 ILE H . 7429 1 42 . 1 1 24 24 ILE N N 15 114.877 0.059 . 1 . . . . 180 ILE N . 7429 1 43 . 1 1 25 25 GLY H H 1 8.514 0.002 . 1 . . . . 181 GLY H . 7429 1 44 . 1 1 25 25 GLY N N 15 112.853 0.059 . 1 . . . . 181 GLY N . 7429 1 45 . 1 1 26 26 ILE H H 1 8.392 0.002 . 1 . . . . 182 ILE H . 7429 1 46 . 1 1 26 26 ILE N N 15 121.609 0.059 . 1 . . . . 182 ILE N . 7429 1 47 . 1 1 27 27 TYR H H 1 9.281 0.002 . 1 . . . . 183 TYR H . 7429 1 48 . 1 1 27 27 TYR N N 15 127.774 0.059 . 1 . . . . 183 TYR N . 7429 1 49 . 1 1 28 28 ARG H H 1 9.443 0.002 . 1 . . . . 184 ARG H . 7429 1 50 . 1 1 28 28 ARG N N 15 118.441 0.059 . 1 . . . . 184 ARG N . 7429 1 51 . 1 1 29 29 LEU H H 1 9.572 0.002 . 1 . . . . 185 LEU H . 7429 1 52 . 1 1 29 29 LEU N N 15 128.335 0.059 . 1 . . . . 185 LEU N . 7429 1 53 . 1 1 30 30 CYS H H 1 8.913 0.002 . 1 . . . . 186 CYS H . 7429 1 54 . 1 1 30 30 CYS N N 15 123.947 0.059 . 1 . . . . 186 CYS N . 7429 1 55 . 1 1 31 31 LEU H H 1 9.135 0.002 . 1 . . . . 187 LEU H . 7429 1 56 . 1 1 31 31 LEU N N 15 131.125 0.059 . 1 . . . . 187 LEU N . 7429 1 57 . 1 1 32 32 THR H H 1 8.983 0.002 . 1 . . . . 188 THR H . 7429 1 58 . 1 1 32 32 THR N N 15 118.289 0.059 . 1 . . . . 188 THR N . 7429 1 59 . 1 1 33 33 SER H H 1 8.479 0.002 . 1 . . . . 189 SER H . 7429 1 60 . 1 1 33 33 SER N N 15 109.475 0.059 . 1 . . . . 189 SER N . 7429 1 61 . 1 1 35 35 THR H H 1 7.789 0.002 . 1 . . . . 191 THR H . 7429 1 62 . 1 1 35 35 THR N N 15 110.458 0.059 . 1 . . . . 191 THR N . 7429 1 63 . 1 1 36 36 ILE H H 1 8.927 0.002 . 1 . . . . 192 ILE H . 7429 1 64 . 1 1 36 36 ILE N N 15 116.975 0.059 . 1 . . . . 192 ILE N . 7429 1 65 . 1 1 37 37 SER H H 1 8.678 0.002 . 1 . . . . 193 SER H . 7429 1 66 . 1 1 37 37 SER N N 15 118.913 0.059 . 1 . . . . 193 SER N . 7429 1 67 . 1 1 38 38 PHE H H 1 8.385 0.002 . 1 . . . . 194 PHE H . 7429 1 68 . 1 1 38 38 PHE N N 15 120.757 0.059 . 1 . . . . 194 PHE N . 7429 1 69 . 1 1 39 39 VAL H H 1 9.397 0.002 . 1 . . . . 195 VAL H . 7429 1 70 . 1 1 39 39 VAL N N 15 125.299 0.059 . 1 . . . . 195 VAL N . 7429 1 71 . 1 1 40 40 LYS H H 1 9.53 0.002 . 1 . . . . 196 LYS H . 7429 1 72 . 1 1 40 40 LYS N N 15 131.684 0.059 . 1 . . . . 196 LYS N . 7429 1 73 . 1 1 41 41 LEU H H 1 7.883 0.002 . 1 . . . . 197 LEU H . 7429 1 74 . 1 1 41 41 LEU N N 15 123.345 0.059 . 1 . . . . 197 LEU N . 7429 1 75 . 1 1 42 42 ASN H H 1 8.569 0.002 . 1 . . . . 198 ASN H . 7429 1 76 . 1 1 42 42 ASN N N 15 116.111 0.059 . 1 . . . . 198 ASN N . 7429 1 77 . 1 1 43 43 SER H H 1 7.665 0.002 . 1 . . . . 199 SER H . 7429 1 78 . 1 1 43 43 SER N N 15 113.267 0.059 . 1 . . . . 199 SER N . 7429 1 79 . 1 1 44 44 GLU H H 1 8.441 0.002 . 1 . . . . 200 GLU H . 7429 1 80 . 1 1 44 44 GLU N N 15 120.664 0.059 . 1 . . . . 200 GLU N . 7429 1 81 . 1 1 45 45 ALA H H 1 7.978 0.002 . 1 . . . . 201 ALA H . 7429 1 82 . 1 1 45 45 ALA N N 15 122.765 0.059 . 1 . . . . 201 ALA N . 7429 1 83 . 1 1 46 46 ALA H H 1 8.671 0.002 . 1 . . . . 202 ALA H . 7429 1 84 . 1 1 46 46 ALA N N 15 124.187 0.059 . 1 . . . . 202 ALA N . 7429 1 85 . 1 1 47 47 ALA H H 1 9.005 0.002 . 1 . . . . 203 ALA H . 7429 1 86 . 1 1 47 47 ALA N N 15 126.766 0.059 . 1 . . . . 203 ALA N . 7429 1 87 . 1 1 48 48 VAL H H 1 7.386 0.002 . 1 . . . . 204 VAL H . 7429 1 88 . 1 1 48 48 VAL N N 15 113.967 0.059 . 1 . . . . 204 VAL N . 7429 1 89 . 1 1 49 49 VAL H H 1 8.362 0.002 . 1 . . . . 205 VAL H . 7429 1 90 . 1 1 49 49 VAL N N 15 128.1 0.059 . 1 . . . . 205 VAL N . 7429 1 91 . 1 1 50 50 LEU H H 1 9.414 0.002 . 1 . . . . 206 LEU H . 7429 1 92 . 1 1 50 50 LEU N N 15 126.604 0.059 . 1 . . . . 206 LEU N . 7429 1 93 . 1 1 51 51 GLN H H 1 9.081 0.002 . 1 . . . . 207 GLN H . 7429 1 94 . 1 1 51 51 GLN N N 15 122.582 0.059 . 1 . . . . 207 GLN N . 7429 1 95 . 1 1 52 52 LEU H H 1 8.503 0.002 . 1 . . . . 208 LEU H . 7429 1 96 . 1 1 52 52 LEU N N 15 125.236 0.059 . 1 . . . . 208 LEU N . 7429 1 97 . 1 1 53 53 MET H H 1 8.352 0.002 . 1 . . . . 209 MET H . 7429 1 98 . 1 1 53 53 MET N N 15 112.719 0.059 . 1 . . . . 209 MET N . 7429 1 99 . 1 1 55 55 ILE H H 1 7.62 0.002 . 1 . . . . 211 ILE H . 7429 1 100 . 1 1 55 55 ILE N N 15 120.749 0.059 . 1 . . . . 211 ILE N . 7429 1 101 . 1 1 56 56 ARG H H 1 9.277 0.002 . 1 . . . . 212 ARG H . 7429 1 102 . 1 1 56 56 ARG N N 15 127.6 0.059 . 1 . . . . 212 ARG N . 7429 1 103 . 1 1 60 60 HIS H H 1 8.014 0.002 . 1 . . . . 216 HIS H . 7429 1 104 . 1 1 60 60 HIS N N 15 112.643 0.059 . 1 . . . . 216 HIS N . 7429 1 105 . 1 1 61 61 SER H H 1 8.741 0.002 . 1 . . . . 217 SER H . 7429 1 106 . 1 1 61 61 SER N N 15 115.671 0.059 . 1 . . . . 217 SER N . 7429 1 107 . 1 1 62 62 GLU H H 1 9.31 0.002 . 1 . . . . 218 GLU H . 7429 1 108 . 1 1 62 62 GLU N N 15 125.588 0.059 . 1 . . . . 218 GLU N . 7429 1 109 . 1 1 63 63 ASN H H 1 8.545 0.002 . 1 . . . . 219 ASN H . 7429 1 110 . 1 1 63 63 ASN N N 15 118.682 0.059 . 1 . . . . 219 ASN N . 7429 1 111 . 1 1 64 64 PHE H H 1 8.63 0.002 . 1 . . . . 220 PHE H . 7429 1 112 . 1 1 64 64 PHE N N 15 116.88 0.059 . 1 . . . . 220 PHE N . 7429 1 113 . 1 1 65 65 PHE H H 1 9.359 0.002 . 1 . . . . 221 PHE H . 7429 1 114 . 1 1 65 65 PHE N N 15 122.612 0.059 . 1 . . . . 221 PHE N . 7429 1 115 . 1 1 69 69 VAL H H 1 9.718 0.002 . 1 . . . . 225 VAL H . 7429 1 116 . 1 1 69 69 VAL N N 15 122.991 0.059 . 1 . . . . 225 VAL N . 7429 1 117 . 1 1 71 71 ARG H H 1 8.363 0.002 . 1 . . . . 227 ARG H . 7429 1 118 . 1 1 71 71 ARG N N 15 114.906 0.059 . 1 . . . . 227 ARG N . 7429 1 119 . 1 1 72 72 SER H H 1 8.31 0.002 . 1 . . . . 228 SER H . 7429 1 120 . 1 1 72 72 SER N N 15 112.637 0.059 . 1 . . . . 228 SER N . 7429 1 121 . 1 1 73 73 ALA H H 1 7.395 0.002 . 1 . . . . 229 ALA H . 7429 1 122 . 1 1 73 73 ALA N N 15 122.534 0.059 . 1 . . . . 229 ALA N . 7429 1 123 . 1 1 74 74 VAL H H 1 8.926 0.002 . 1 . . . . 230 VAL H . 7429 1 124 . 1 1 74 74 VAL N N 15 122.738 0.059 . 1 . . . . 230 VAL N . 7429 1 125 . 1 1 75 75 THR H H 1 6.89 0.002 . 1 . . . . 231 THR H . 7429 1 126 . 1 1 75 75 THR N N 15 106.556 0.059 . 1 . . . . 231 THR N . 7429 1 127 . 1 1 76 76 GLY H H 1 7.645 0.002 . 1 . . . . 232 GLY H . 7429 1 128 . 1 1 76 76 GLY N N 15 109.518 0.059 . 1 . . . . 232 GLY N . 7429 1 129 . 1 1 78 78 GLY H H 1 8.005 0.002 . 1 . . . . 234 GLY H . 7429 1 130 . 1 1 78 78 GLY N N 15 107.145 0.059 . 1 . . . . 234 GLY N . 7429 1 131 . 1 1 79 79 GLU H H 1 8.631 0.002 . 1 . . . . 235 GLU H . 7429 1 132 . 1 1 79 79 GLU N N 15 116.647 0.059 . 1 . . . . 235 GLU N . 7429 1 133 . 1 1 80 80 PHE H H 1 8.962 0.002 . 1 . . . . 236 PHE H . 7429 1 134 . 1 1 80 80 PHE N N 15 117.84 0.059 . 1 . . . . 236 PHE N . 7429 1 135 . 1 1 81 81 TRP H H 1 10.224 0.002 . 1 . . . . 237 TRP H . 7429 1 136 . 1 1 81 81 TRP HE1 H 1 10.694 0.002 . 1 . . . . 237 TRP HE1 . 7429 1 137 . 1 1 81 81 TRP N N 15 122.919 0.059 . 1 . . . . 237 TRP N . 7429 1 138 . 1 1 81 81 TRP NE1 N 15 132.301 0.059 . 1 . . . . 237 TRP NE1 . 7429 1 139 . 1 1 82 82 MET H H 1 9.502 0.002 . 1 . . . . 238 MET H . 7429 1 140 . 1 1 82 82 MET N N 15 119.981 0.059 . 1 . . . . 238 MET N . 7429 1 141 . 1 1 83 83 GLN H H 1 9.542 0.002 . 1 . . . . 239 GLN H . 7429 1 142 . 1 1 83 83 GLN N N 15 124.055 0.059 . 1 . . . . 239 GLN N . 7429 1 143 . 1 1 84 84 VAL H H 1 8.633 0.002 . 1 . . . . 240 VAL H . 7429 1 144 . 1 1 84 84 VAL N N 15 118.925 0.059 . 1 . . . . 240 VAL N . 7429 1 145 . 1 1 85 85 ASP H H 1 8.499 0.002 . 1 . . . . 241 ASP H . 7429 1 146 . 1 1 85 85 ASP N N 15 116.784 0.059 . 1 . . . . 241 ASP N . 7429 1 147 . 1 1 86 86 ASP H H 1 7.194 0.002 . 1 . . . . 242 ASP H . 7429 1 148 . 1 1 86 86 ASP N N 15 109.402 0.059 . 1 . . . . 242 ASP N . 7429 1 149 . 1 1 87 87 SER H H 1 8.591 0.002 . 1 . . . . 243 SER H . 7429 1 150 . 1 1 87 87 SER N N 15 114.171 0.059 . 1 . . . . 243 SER N . 7429 1 151 . 1 1 88 88 VAL H H 1 8.105 0.002 . 1 . . . . 244 VAL H . 7429 1 152 . 1 1 88 88 VAL N N 15 126.566 0.059 . 1 . . . . 244 VAL N . 7429 1 153 . 1 1 89 89 VAL H H 1 8.376 0.002 . 1 . . . . 245 VAL H . 7429 1 154 . 1 1 89 89 VAL N N 15 121.837 0.059 . 1 . . . . 245 VAL N . 7429 1 155 . 1 1 90 90 ALA H H 1 7.186 0.002 . 1 . . . . 246 ALA H . 7429 1 156 . 1 1 90 90 ALA N N 15 120.765 0.059 . 1 . . . . 246 ALA N . 7429 1 157 . 1 1 91 91 GLN H H 1 7.527 0.002 . 1 . . . . 247 GLN H . 7429 1 158 . 1 1 91 91 GLN N N 15 115.705 0.059 . 1 . . . . 247 GLN N . 7429 1 159 . 1 1 92 92 ASN H H 1 8.24 0.002 . 1 . . . . 248 ASN H . 7429 1 160 . 1 1 92 92 ASN N N 15 119.299 0.059 . 1 . . . . 248 ASN N . 7429 1 161 . 1 1 93 93 MET H H 1 8.452 0.002 . 1 . . . . 249 MET H . 7429 1 162 . 1 1 93 93 MET N N 15 123.394 0.059 . 1 . . . . 249 MET N . 7429 1 163 . 1 1 94 94 HIS H H 1 7.092 0.002 . 1 . . . . 250 HIS H . 7429 1 164 . 1 1 94 94 HIS N N 15 118.198 0.059 . 1 . . . . 250 HIS N . 7429 1 165 . 1 1 95 95 GLU H H 1 8.32 0.002 . 1 . . . . 251 GLU H . 7429 1 166 . 1 1 95 95 GLU N N 15 116.633 0.059 . 1 . . . . 251 GLU N . 7429 1 167 . 1 1 96 96 THR H H 1 8.271 0.002 . 1 . . . . 252 THR H . 7429 1 168 . 1 1 96 96 THR N N 15 116.703 0.059 . 1 . . . . 252 THR N . 7429 1 169 . 1 1 97 97 ILE H H 1 8.507 0.002 . 1 . . . . 253 ILE H . 7429 1 170 . 1 1 97 97 ILE N N 15 124.632 0.059 . 1 . . . . 253 ILE N . 7429 1 171 . 1 1 98 98 LEU H H 1 8.435 0.002 . 1 . . . . 254 LEU H . 7429 1 172 . 1 1 98 98 LEU N N 15 121.252 0.059 . 1 . . . . 254 LEU N . 7429 1 173 . 1 1 99 99 GLU H H 1 7.817 0.002 . 1 . . . . 255 GLU H . 7429 1 174 . 1 1 99 99 GLU N N 15 119.068 0.059 . 1 . . . . 255 GLU N . 7429 1 175 . 1 1 100 100 ALA H H 1 7.652 0.002 . 1 . . . . 256 ALA H . 7429 1 176 . 1 1 100 100 ALA N N 15 123.162 0.059 . 1 . . . . 256 ALA N . 7429 1 177 . 1 1 101 101 MET H H 1 8.561 0.002 . 1 . . . . 257 MET H . 7429 1 178 . 1 1 101 101 MET N N 15 118.708 0.059 . 1 . . . . 257 MET N . 7429 1 179 . 1 1 102 102 ARG H H 1 8.322 0.002 . 1 . . . . 258 ARG H . 7429 1 180 . 1 1 102 102 ARG N N 15 121.182 0.059 . 1 . . . . 258 ARG N . 7429 1 181 . 1 1 103 103 ALA H H 1 8.106 0.002 . 1 . . . . 259 ALA H . 7429 1 182 . 1 1 103 103 ALA N N 15 121.358 0.059 . 1 . . . . 259 ALA N . 7429 1 183 . 1 1 104 104 MET H H 1 7.473 0.002 . 1 . . . . 260 MET H . 7429 1 184 . 1 1 104 104 MET N N 15 116.443 0.059 . 1 . . . . 260 MET N . 7429 1 185 . 1 1 105 105 SER H H 1 7.902 0.002 . 1 . . . . 261 SER H . 7429 1 186 . 1 1 105 105 SER N N 15 114.801 0.059 . 1 . . . . 261 SER N . 7429 1 187 . 1 1 106 106 ASP H H 1 8.115 0.002 . 1 . . . . 262 ASP H . 7429 1 188 . 1 1 106 106 ASP N N 15 121.994 0.059 . 1 . . . . 262 ASP N . 7429 1 189 . 1 1 107 107 GLU H H 1 7.876 0.002 . 1 . . . . 263 GLU H . 7429 1 190 . 1 1 107 107 GLU N N 15 119.508 0.059 . 1 . . . . 263 GLU N . 7429 1 191 . 1 1 108 108 PHE H H 1 7.852 0.002 . 1 . . . . 264 PHE H . 7429 1 192 . 1 1 108 108 PHE N N 15 118.49 0.059 . 1 . . . . 264 PHE N . 7429 1 193 . 1 1 109 109 ARG H H 1 7.702 0.002 . 1 . . . . 265 ARG H . 7429 1 194 . 1 1 109 109 ARG N N 15 123.552 0.059 . 1 . . . . 265 ARG N . 7429 1 195 . 1 1 111 111 ARG H H 1 7.986 0.002 . 1 . . . . 267 ARG H . 7429 1 196 . 1 1 111 111 ARG N N 15 126.749 0.059 . 1 . . . . 267 ARG N . 7429 1 stop_ save_