################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52946 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MCL1 BAK G126R COmplex' _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 $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 '2D 1H-15N HSQC' . . . 52946 1 2 '3D HNCO' . . . 52946 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52946 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 8 8 ARG H H 1 8.327 0.000 . 1 . . . . . 176 ARG H . 52946 1 2 . 1 . 1 8 8 ARG N N 15 118.701 0.000 . 1 . . . . . 176 ARG N . 52946 1 3 . 1 . 1 9 9 GLN H H 1 8.603 0.000 . 1 . . . . . 177 GLN H . 52946 1 4 . 1 . 1 9 9 GLN N N 15 118.677 0.000 . 1 . . . . . 177 GLN N . 52946 1 5 . 1 . 1 10 10 SER H H 1 8.030 0.000 . 1 . . . . . 178 SER H . 52946 1 6 . 1 . 1 10 10 SER N N 15 113.436 0.000 . 1 . . . . . 178 SER N . 52946 1 7 . 1 . 1 11 11 LEU H H 1 8.583 0.000 . 1 . . . . . 179 LEU H . 52946 1 8 . 1 . 1 11 11 LEU N N 15 121.794 0.000 . 1 . . . . . 179 LEU N . 52946 1 9 . 1 . 1 12 12 GLU H H 1 7.883 0.000 . 1 . . . . . 180 GLU H . 52946 1 10 . 1 . 1 12 12 GLU N N 15 120.018 0.000 . 1 . . . . . 180 GLU N . 52946 1 11 . 1 . 1 13 13 ILE H H 1 7.273 0.000 . 1 . . . . . 181 ILE H . 52946 1 12 . 1 . 1 13 13 ILE N N 15 118.051 0.000 . 1 . . . . . 181 ILE N . 52946 1 13 . 1 . 1 14 14 ILE H H 1 8.250 0.000 . 1 . . . . . 182 ILE H . 52946 1 14 . 1 . 1 14 14 ILE N N 15 117.176 0.000 . 1 . . . . . 182 ILE N . 52946 1 15 . 1 . 1 15 15 SER H H 1 8.912 0.000 . 1 . . . . . 183 SER H . 52946 1 16 . 1 . 1 15 15 SER N N 15 113.373 0.000 . 1 . . . . . 183 SER N . 52946 1 17 . 1 . 1 16 16 ARG H H 1 7.754 0.000 . 1 . . . . . 184 ARG H . 52946 1 18 . 1 . 1 16 16 ARG N N 15 119.579 0.000 . 1 . . . . . 184 ARG N . 52946 1 19 . 1 . 1 17 17 TYR H H 1 8.088 0.000 . 1 . . . . . 185 TYR H . 52946 1 20 . 1 . 1 17 17 TYR N N 15 118.902 0.000 . 1 . . . . . 185 TYR N . 52946 1 21 . 1 . 1 18 18 LEU H H 1 8.393 0.000 . 1 . . . . . 186 LEU H . 52946 1 22 . 1 . 1 18 18 LEU N N 15 118.115 0.000 . 1 . . . . . 186 LEU N . 52946 1 23 . 1 . 1 19 19 ARG H H 1 8.169 0.000 . 1 . . . . . 187 ARG H . 52946 1 24 . 1 . 1 19 19 ARG N N 15 115.985 0.000 . 1 . . . . . 187 ARG N . 52946 1 25 . 1 . 1 20 20 GLU H H 1 8.435 0.000 . 1 . . . . . 188 GLU H . 52946 1 26 . 1 . 1 20 20 GLU N N 15 120.922 0.000 . 1 . . . . . 188 GLU N . 52946 1 27 . 1 . 1 21 21 GLN H H 1 8.066 0.000 . 1 . . . . . 189 GLN H . 52946 1 28 . 1 . 1 21 21 GLN N N 15 119.561 0.000 . 1 . . . . . 189 GLN N . 52946 1 29 . 1 . 1 22 22 ALA H H 1 7.911 0.000 . 1 . . . . . 190 ALA H . 52946 1 30 . 1 . 1 22 22 ALA N N 15 118.323 0.000 . 1 . . . . . 190 ALA N . 52946 1 31 . 1 . 1 23 23 THR H H 1 7.966 0.000 . 1 . . . . . 191 THR H . 52946 1 32 . 1 . 1 23 23 THR N N 15 104.634 0.000 . 1 . . . . . 191 THR N . 52946 1 33 . 1 . 1 24 24 GLY H H 1 7.999 0.000 . 1 . . . . . 192 GLY H . 52946 1 34 . 1 . 1 24 24 GLY N N 15 111.330 0.000 . 1 . . . . . 192 GLY N . 52946 1 35 . 1 . 1 25 25 ALA H H 1 7.798 0.000 . 1 . . . . . 193 ALA H . 52946 1 36 . 1 . 1 25 25 ALA N N 15 123.003 0.000 . 1 . . . . . 193 ALA N . 52946 1 37 . 1 . 1 26 26 LYS H H 1 8.190 0.000 . 1 . . . . . 194 LYS H . 52946 1 38 . 1 . 1 26 26 LYS N N 15 120.938 0.000 . 1 . . . . . 194 LYS N . 52946 1 39 . 1 . 1 27 27 ASP H H 1 8.656 0.000 . 1 . . . . . 195 ASP H . 52946 1 40 . 1 . 1 27 27 ASP N N 15 123.369 0.000 . 1 . . . . . 195 ASP N . 52946 1 41 . 1 . 1 29 29 LYS H H 1 8.198 0.000 . 1 . . . . . 197 LYS H . 52946 1 42 . 1 . 1 29 29 LYS N N 15 124.916 0.000 . 1 . . . . . 197 LYS N . 52946 1 43 . 1 . 1 39 39 ARG H H 1 7.870 0.000 . 1 . . . . . 207 ARG H . 52946 1 44 . 1 . 1 39 39 ARG N N 15 120.967 0.000 . 1 . . . . . 207 ARG N . 52946 1 45 . 1 . 1 40 40 LYS H H 1 8.072 0.000 . 1 . . . . . 208 LYS H . 52946 1 46 . 1 . 1 40 40 LYS N N 15 119.253 0.000 . 1 . . . . . 208 LYS N . 52946 1 47 . 1 . 1 41 41 ALA H H 1 9.029 0.000 . 1 . . . . . 209 ALA H . 52946 1 48 . 1 . 1 41 41 ALA N N 15 124.517 0.000 . 1 . . . . . 209 ALA N . 52946 1 49 . 1 . 1 42 42 LEU H H 1 8.032 0.000 . 1 . . . . . 210 LEU H . 52946 1 50 . 1 . 1 42 42 LEU N N 15 119.671 0.000 . 1 . . . . . 210 LEU N . 52946 1 51 . 1 . 1 43 43 GLU H H 1 8.100 0.000 . 1 . . . . . 211 GLU H . 52946 1 52 . 1 . 1 43 43 GLU N N 15 118.304 0.000 . 1 . . . . . 211 GLU N . 52946 1 53 . 1 . 1 44 44 THR H H 1 8.243 0.000 . 1 . . . . . 212 THR H . 52946 1 54 . 1 . 1 44 44 THR N N 15 117.399 0.000 . 1 . . . . . 212 THR N . 52946 1 55 . 1 . 1 45 45 LEU H H 1 8.692 0.000 . 1 . . . . . 213 LEU H . 52946 1 56 . 1 . 1 45 45 LEU N N 15 123.741 0.000 . 1 . . . . . 213 LEU N . 52946 1 57 . 1 . 1 46 46 ARG H H 1 8.287 0.000 . 1 . . . . . 214 ARG H . 52946 1 58 . 1 . 1 46 46 ARG N N 15 116.809 0.000 . 1 . . . . . 214 ARG N . 52946 1 59 . 1 . 1 47 47 ARG H H 1 7.321 0.000 . 1 . . . . . 215 ARG H . 52946 1 60 . 1 . 1 47 47 ARG N N 15 117.189 0.000 . 1 . . . . . 215 ARG N . 52946 1 61 . 1 . 1 48 48 VAL H H 1 8.870 0.000 . 1 . . . . . 216 VAL H . 52946 1 62 . 1 . 1 48 48 VAL N N 15 119.380 0.000 . 1 . . . . . 216 VAL N . 52946 1 63 . 1 . 1 49 49 GLY H H 1 8.997 0.000 . 1 . . . . . 217 GLY H . 52946 1 64 . 1 . 1 49 49 GLY N N 15 110.790 0.000 . 1 . . . . . 217 GLY N . 52946 1 65 . 1 . 1 50 50 ASP H H 1 7.698 0.000 . 1 . . . . . 218 ASP H . 52946 1 66 . 1 . 1 50 50 ASP N N 15 121.999 0.000 . 1 . . . . . 218 ASP N . 52946 1 67 . 1 . 1 51 51 GLY H H 1 7.309 0.000 . 1 . . . . . 219 GLY H . 52946 1 68 . 1 . 1 51 51 GLY N N 15 106.144 0.000 . 1 . . . . . 219 GLY N . 52946 1 69 . 1 . 1 52 52 VAL H H 1 8.362 0.000 . 1 . . . . . 220 VAL H . 52946 1 70 . 1 . 1 52 52 VAL N N 15 122.455 0.000 . 1 . . . . . 220 VAL N . 52946 1 71 . 1 . 1 53 53 GLN H H 1 7.900 0.000 . 1 . . . . . 221 GLN H . 52946 1 72 . 1 . 1 53 53 GLN N N 15 115.245 0.000 . 1 . . . . . 221 GLN N . 52946 1 73 . 1 . 1 54 54 ARG H H 1 7.849 0.000 . 1 . . . . . 222 ARG H . 52946 1 74 . 1 . 1 54 54 ARG N N 15 115.691 0.000 . 1 . . . . . 222 ARG N . 52946 1 75 . 1 . 1 55 55 ASN H H 1 8.223 0.000 . 1 . . . . . 223 ASN H . 52946 1 76 . 1 . 1 55 55 ASN N N 15 115.839 0.000 . 1 . . . . . 223 ASN N . 52946 1 77 . 1 . 1 56 56 HIS H H 1 7.589 0.000 . 1 . . . . . 224 HIS H . 52946 1 78 . 1 . 1 56 56 HIS N N 15 115.529 0.000 . 1 . . . . . 224 HIS N . 52946 1 79 . 1 . 1 57 57 GLU H H 1 6.885 0.000 . 1 . . . . . 225 GLU H . 52946 1 80 . 1 . 1 57 57 GLU N N 15 122.553 0.000 . 1 . . . . . 225 GLU N . 52946 1 81 . 1 . 1 58 58 THR H H 1 8.311 0.000 . 1 . . . . . 226 THR H . 52946 1 82 . 1 . 1 58 58 THR N N 15 112.579 0.000 . 1 . . . . . 226 THR N . 52946 1 83 . 1 . 1 59 59 ALA H H 1 7.833 0.000 . 1 . . . . . 227 ALA H . 52946 1 84 . 1 . 1 59 59 ALA N N 15 126.126 0.000 . 1 . . . . . 227 ALA N . 52946 1 85 . 1 . 1 60 60 PHE H H 1 8.904 0.000 . 1 . . . . . 228 PHE H . 52946 1 86 . 1 . 1 60 60 PHE N N 15 120.093 0.000 . 1 . . . . . 228 PHE N . 52946 1 87 . 1 . 1 61 61 GLN H H 1 8.868 0.000 . 1 . . . . . 229 GLN H . 52946 1 88 . 1 . 1 61 61 GLN N N 15 119.923 0.000 . 1 . . . . . 229 GLN N . 52946 1 89 . 1 . 1 62 62 GLY H H 1 8.029 0.000 . 1 . . . . . 230 GLY H . 52946 1 90 . 1 . 1 62 62 GLY N N 15 106.680 0.000 . 1 . . . . . 230 GLY N . 52946 1 91 . 1 . 1 63 63 MET H H 1 8.260 0.000 . 1 . . . . . 231 MET H . 52946 1 92 . 1 . 1 63 63 MET N N 15 121.683 0.000 . 1 . . . . . 231 MET N . 52946 1 93 . 1 . 1 64 64 LEU H H 1 8.479 0.000 . 1 . . . . . 232 LEU H . 52946 1 94 . 1 . 1 64 64 LEU N N 15 118.740 0.000 . 1 . . . . . 232 LEU N . 52946 1 95 . 1 . 1 65 65 ARG H H 1 8.034 0.000 . 1 . . . . . 233 ARG H . 52946 1 96 . 1 . 1 65 65 ARG N N 15 118.422 0.000 . 1 . . . . . 233 ARG N . 52946 1 97 . 1 . 1 66 66 LYS H H 1 7.569 0.000 . 1 . . . . . 234 LYS H . 52946 1 98 . 1 . 1 66 66 LYS N N 15 117.633 0.000 . 1 . . . . . 234 LYS N . 52946 1 99 . 1 . 1 67 67 LEU H H 1 7.745 0.000 . 1 . . . . . 235 LEU H . 52946 1 100 . 1 . 1 67 67 LEU N N 15 117.033 0.000 . 1 . . . . . 235 LEU N . 52946 1 101 . 1 . 1 68 68 ASP H H 1 7.820 0.000 . 1 . . . . . 236 ASP H . 52946 1 102 . 1 . 1 68 68 ASP N N 15 117.937 0.000 . 1 . . . . . 236 ASP N . 52946 1 103 . 1 . 1 69 69 ILE H H 1 8.039 0.000 . 1 . . . . . 237 ILE H . 52946 1 104 . 1 . 1 69 69 ILE N N 15 119.193 0.000 . 1 . . . . . 237 ILE N . 52946 1 105 . 1 . 1 71 71 ASN H H 1 7.801 0.000 . 1 . . . . . 239 ASN H . 52946 1 106 . 1 . 1 71 71 ASN N N 15 113.532 0.000 . 1 . . . . . 239 ASN N . 52946 1 107 . 1 . 1 72 72 GLU H H 1 8.936 0.000 . 1 . . . . . 240 GLU H . 52946 1 108 . 1 . 1 72 72 GLU N N 15 117.190 0.000 . 1 . . . . . 240 GLU N . 52946 1 109 . 1 . 1 73 73 ASP H H 1 8.167 0.000 . 1 . . . . . 241 ASP H . 52946 1 110 . 1 . 1 73 73 ASP N N 15 121.214 0.000 . 1 . . . . . 241 ASP N . 52946 1 111 . 1 . 1 74 74 ASP H H 1 8.165 0.000 . 1 . . . . . 242 ASP H . 52946 1 112 . 1 . 1 74 74 ASP N N 15 119.511 0.000 . 1 . . . . . 242 ASP N . 52946 1 113 . 1 . 1 75 75 VAL H H 1 7.677 0.000 . 1 . . . . . 243 VAL H . 52946 1 114 . 1 . 1 75 75 VAL N N 15 118.371 0.000 . 1 . . . . . 243 VAL N . 52946 1 115 . 1 . 1 76 76 LYS H H 1 7.906 0.000 . 1 . . . . . 244 LYS H . 52946 1 116 . 1 . 1 76 76 LYS N N 15 119.636 0.000 . 1 . . . . . 244 LYS N . 52946 1 117 . 1 . 1 77 77 SER H H 1 7.857 0.000 . 1 . . . . . 245 SER H . 52946 1 118 . 1 . 1 77 77 SER N N 15 115.026 0.000 . 1 . . . . . 245 SER N . 52946 1 119 . 1 . 1 78 78 LEU H H 1 7.800 0.000 . 1 . . . . . 246 LEU H . 52946 1 120 . 1 . 1 78 78 LEU N N 15 121.175 0.000 . 1 . . . . . 246 LEU N . 52946 1 121 . 1 . 1 79 79 SER H H 1 8.060 0.000 . 1 . . . . . 247 SER H . 52946 1 122 . 1 . 1 79 79 SER N N 15 115.903 0.000 . 1 . . . . . 247 SER N . 52946 1 123 . 1 . 1 80 80 ARG H H 1 7.540 0.000 . 1 . . . . . 248 ARG H . 52946 1 124 . 1 . 1 80 80 ARG N N 15 119.111 0.000 . 1 . . . . . 248 ARG N . 52946 1 125 . 1 . 1 81 81 VAL H H 1 7.433 0.000 . 1 . . . . . 249 VAL H . 52946 1 126 . 1 . 1 81 81 VAL N N 15 118.566 0.000 . 1 . . . . . 249 VAL N . 52946 1 127 . 1 . 1 82 82 MET H H 1 7.779 0.000 . 1 . . . . . 250 MET H . 52946 1 128 . 1 . 1 82 82 MET N N 15 115.336 0.000 . 1 . . . . . 250 MET N . 52946 1 129 . 1 . 1 83 83 ILE H H 1 7.722 0.000 . 1 . . . . . 251 ILE H . 52946 1 130 . 1 . 1 83 83 ILE N N 15 115.653 0.000 . 1 . . . . . 251 ILE N . 52946 1 131 . 1 . 1 84 84 HIS H H 1 7.508 0.000 . 1 . . . . . 252 HIS H . 52946 1 132 . 1 . 1 84 84 HIS N N 15 119.093 0.000 . 1 . . . . . 252 HIS N . 52946 1 133 . 1 . 1 85 85 VAL H H 1 7.590 0.000 . 1 . . . . . 253 VAL H . 52946 1 134 . 1 . 1 85 85 VAL N N 15 121.006 0.000 . 1 . . . . . 253 VAL N . 52946 1 135 . 1 . 1 86 86 PHE H H 1 6.809 0.000 . 1 . . . . . 254 PHE H . 52946 1 136 . 1 . 1 86 86 PHE N N 15 111.724 0.000 . 1 . . . . . 254 PHE N . 52946 1 137 . 1 . 1 87 87 SER H H 1 7.600 0.000 . 1 . . . . . 255 SER H . 52946 1 138 . 1 . 1 87 87 SER N N 15 117.133 0.000 . 1 . . . . . 255 SER N . 52946 1 139 . 1 . 1 88 88 ASP H H 1 8.014 0.000 . 1 . . . . . 256 ASP H . 52946 1 140 . 1 . 1 88 88 ASP N N 15 120.514 0.000 . 1 . . . . . 256 ASP N . 52946 1 141 . 1 . 1 89 89 GLY H H 1 8.047 0.000 . 1 . . . . . 257 GLY H . 52946 1 142 . 1 . 1 89 89 GLY N N 15 106.692 0.000 . 1 . . . . . 257 GLY N . 52946 1 143 . 1 . 1 90 90 VAL H H 1 7.740 0.000 . 1 . . . . . 258 VAL H . 52946 1 144 . 1 . 1 90 90 VAL N N 15 124.334 0.000 . 1 . . . . . 258 VAL N . 52946 1 145 . 1 . 1 91 91 THR H H 1 7.830 0.000 . 1 . . . . . 259 THR H . 52946 1 146 . 1 . 1 91 91 THR N N 15 121.501 0.000 . 1 . . . . . 259 THR N . 52946 1 147 . 1 . 1 92 92 ASN H H 1 6.189 0.000 . 1 . . . . . 260 ASN H . 52946 1 148 . 1 . 1 92 92 ASN N N 15 114.607 0.000 . 1 . . . . . 260 ASN N . 52946 1 149 . 1 . 1 93 93 TRP H H 1 9.088 0.000 . 1 . . . . . 261 TRP H . 52946 1 150 . 1 . 1 93 93 TRP N N 15 119.066 0.000 . 1 . . . . . 261 TRP N . 52946 1 151 . 1 . 1 94 94 GLY H H 1 9.085 0.000 . 1 . . . . . 262 GLY H . 52946 1 152 . 1 . 1 94 94 GLY N N 15 109.422 0.000 . 1 . . . . . 262 GLY N . 52946 1 153 . 1 . 1 95 95 ARG H H 1 9.183 0.000 . 1 . . . . . 263 ARG H . 52946 1 154 . 1 . 1 95 95 ARG N N 15 123.124 0.000 . 1 . . . . . 263 ARG N . 52946 1 155 . 1 . 1 96 96 ILE H H 1 7.534 0.000 . 1 . . . . . 264 ILE H . 52946 1 156 . 1 . 1 96 96 ILE N N 15 118.674 0.000 . 1 . . . . . 264 ILE N . 52946 1 157 . 1 . 1 97 97 VAL H H 1 9.485 0.005 . 1 . . . . . 265 VAL H . 52946 1 158 . 1 . 1 97 97 VAL N N 15 118.812 0.012 . 1 . . . . . 265 VAL N . 52946 1 159 . 1 . 1 98 98 THR H H 1 8.268 0.000 . 1 . . . . . 266 THR H . 52946 1 160 . 1 . 1 98 98 THR N N 15 123.881 0.000 . 1 . . . . . 266 THR N . 52946 1 161 . 1 . 1 99 99 LEU H H 1 8.150 0.000 . 1 . . . . . 267 LEU H . 52946 1 162 . 1 . 1 99 99 LEU N N 15 122.700 0.000 . 1 . . . . . 267 LEU N . 52946 1 163 . 1 . 1 100 100 ILE H H 1 8.056 0.000 . 1 . . . . . 268 ILE H . 52946 1 164 . 1 . 1 100 100 ILE N N 15 117.894 0.000 . 1 . . . . . 268 ILE N . 52946 1 165 . 1 . 1 101 101 SER H H 1 8.654 0.000 . 1 . . . . . 269 SER H . 52946 1 166 . 1 . 1 101 101 SER N N 15 116.547 0.000 . 1 . . . . . 269 SER N . 52946 1 167 . 1 . 1 102 102 PHE H H 1 8.917 0.000 . 1 . . . . . 270 PHE H . 52946 1 168 . 1 . 1 102 102 PHE N N 15 123.045 0.000 . 1 . . . . . 270 PHE N . 52946 1 169 . 1 . 1 103 103 GLY H H 1 8.491 0.000 . 1 . . . . . 271 GLY H . 52946 1 170 . 1 . 1 103 103 GLY N N 15 107.073 0.000 . 1 . . . . . 271 GLY N . 52946 1 171 . 1 . 1 104 104 ALA H H 1 8.446 0.000 . 1 . . . . . 272 ALA H . 52946 1 172 . 1 . 1 104 104 ALA N N 15 124.974 0.000 . 1 . . . . . 272 ALA N . 52946 1 173 . 1 . 1 105 105 PHE H H 1 8.006 0.000 . 1 . . . . . 273 PHE H . 52946 1 174 . 1 . 1 105 105 PHE N N 15 122.168 0.000 . 1 . . . . . 273 PHE N . 52946 1 175 . 1 . 1 106 106 VAL H H 1 8.555 0.000 . 1 . . . . . 274 VAL H . 52946 1 176 . 1 . 1 106 106 VAL N N 15 120.225 0.000 . 1 . . . . . 274 VAL N . 52946 1 177 . 1 . 1 107 107 ALA H H 1 8.718 0.000 . 1 . . . . . 275 ALA H . 52946 1 178 . 1 . 1 107 107 ALA N N 15 123.819 0.000 . 1 . . . . . 275 ALA N . 52946 1 179 . 1 . 1 108 108 LYS H H 1 7.860 0.000 . 1 . . . . . 276 LYS H . 52946 1 180 . 1 . 1 108 108 LYS N N 15 116.319 0.000 . 1 . . . . . 276 LYS N . 52946 1 181 . 1 . 1 109 109 HIS H H 1 7.219 0.000 . 1 . . . . . 277 HIS H . 52946 1 182 . 1 . 1 109 109 HIS N N 15 121.002 0.000 . 1 . . . . . 277 HIS N . 52946 1 183 . 1 . 1 110 110 LEU H H 1 8.614 0.000 . 1 . . . . . 278 LEU H . 52946 1 184 . 1 . 1 110 110 LEU N N 15 118.501 0.000 . 1 . . . . . 278 LEU N . 52946 1 185 . 1 . 1 111 111 LYS H H 1 7.784 0.000 . 1 . . . . . 279 LYS H . 52946 1 186 . 1 . 1 111 111 LYS N N 15 118.169 0.000 . 1 . . . . . 279 LYS N . 52946 1 187 . 1 . 1 112 112 THR H H 1 7.840 0.000 . 1 . . . . . 280 THR H . 52946 1 188 . 1 . 1 112 112 THR N N 15 116.309 0.000 . 1 . . . . . 280 THR N . 52946 1 189 . 1 . 1 113 113 ILE H H 1 7.292 0.000 . 1 . . . . . 281 ILE H . 52946 1 190 . 1 . 1 113 113 ILE N N 15 112.682 0.000 . 1 . . . . . 281 ILE N . 52946 1 191 . 1 . 1 114 114 ASN H H 1 7.809 0.000 . 1 . . . . . 282 ASN H . 52946 1 192 . 1 . 1 114 114 ASN N N 15 116.231 0.000 . 1 . . . . . 282 ASN N . 52946 1 193 . 1 . 1 115 115 GLN H H 1 8.459 0.000 . 1 . . . . . 283 GLN H . 52946 1 194 . 1 . 1 115 115 GLN N N 15 117.373 0.000 . 1 . . . . . 283 GLN N . 52946 1 195 . 1 . 1 116 116 GLU H H 1 8.733 0.000 . 1 . . . . . 284 GLU H . 52946 1 196 . 1 . 1 116 116 GLU N N 15 120.201 0.000 . 1 . . . . . 284 GLU N . 52946 1 197 . 1 . 1 117 117 SER H H 1 8.503 0.000 . 1 . . . . . 285 SER H . 52946 1 198 . 1 . 1 117 117 SER N N 15 115.169 0.000 . 1 . . . . . 285 SER N . 52946 1 199 . 1 . 1 118 118 ALA H H 1 7.812 0.000 . 1 . . . . . 286 ALA H . 52946 1 200 . 1 . 1 118 118 ALA N N 15 122.293 0.000 . 1 . . . . . 286 ALA N . 52946 1 201 . 1 . 1 119 119 ILE H H 1 7.746 0.000 . 1 . . . . . 287 ILE H . 52946 1 202 . 1 . 1 119 119 ILE N N 15 119.725 0.000 . 1 . . . . . 287 ILE N . 52946 1 203 . 1 . 1 120 120 GLU H H 1 8.081 0.000 . 1 . . . . . 288 GLU H . 52946 1 204 . 1 . 1 120 120 GLU N N 15 119.251 0.000 . 1 . . . . . 288 GLU N . 52946 1 205 . 1 . 1 122 122 LEU H H 1 7.540 0.000 . 1 . . . . . 290 LEU H . 52946 1 206 . 1 . 1 122 122 LEU N N 15 121.452 0.000 . 1 . . . . . 290 LEU N . 52946 1 207 . 1 . 1 123 123 ALA H H 1 8.445 0.000 . 1 . . . . . 291 ALA H . 52946 1 208 . 1 . 1 123 123 ALA N N 15 121.682 0.000 . 1 . . . . . 291 ALA N . 52946 1 209 . 1 . 1 124 124 GLU H H 1 8.629 0.000 . 1 . . . . . 292 GLU H . 52946 1 210 . 1 . 1 124 124 GLU N N 15 120.285 0.000 . 1 . . . . . 292 GLU N . 52946 1 211 . 1 . 1 125 125 SER H H 1 8.338 0.000 . 1 . . . . . 293 SER H . 52946 1 212 . 1 . 1 125 125 SER N N 15 115.972 0.000 . 1 . . . . . 293 SER N . 52946 1 213 . 1 . 1 126 126 ILE H H 1 8.045 0.000 . 1 . . . . . 294 ILE H . 52946 1 214 . 1 . 1 126 126 ILE N N 15 120.194 0.000 . 1 . . . . . 294 ILE N . 52946 1 215 . 1 . 1 127 127 THR H H 1 7.908 0.000 . 1 . . . . . 295 THR H . 52946 1 216 . 1 . 1 127 127 THR N N 15 115.889 0.000 . 1 . . . . . 295 THR N . 52946 1 217 . 1 . 1 128 128 ASP H H 1 8.914 0.000 . 1 . . . . . 296 ASP H . 52946 1 218 . 1 . 1 128 128 ASP N N 15 120.682 0.000 . 1 . . . . . 296 ASP N . 52946 1 219 . 1 . 1 129 129 VAL H H 1 7.905 0.000 . 1 . . . . . 297 VAL H . 52946 1 220 . 1 . 1 129 129 VAL N N 15 117.334 0.000 . 1 . . . . . 297 VAL N . 52946 1 221 . 1 . 1 130 130 LEU H H 1 7.977 0.000 . 1 . . . . . 298 LEU H . 52946 1 222 . 1 . 1 130 130 LEU N N 15 119.539 0.000 . 1 . . . . . 298 LEU N . 52946 1 223 . 1 . 1 131 131 VAL H H 1 8.779 0.000 . 1 . . . . . 299 VAL H . 52946 1 224 . 1 . 1 131 131 VAL N N 15 113.622 0.000 . 1 . . . . . 299 VAL N . 52946 1 225 . 1 . 1 132 132 ARG H H 1 8.521 0.000 . 1 . . . . . 300 ARG H . 52946 1 226 . 1 . 1 132 132 ARG N N 15 116.217 0.000 . 1 . . . . . 300 ARG N . 52946 1 227 . 1 . 1 133 133 THR H H 1 7.504 0.000 . 1 . . . . . 301 THR H . 52946 1 228 . 1 . 1 133 133 THR N N 15 108.041 0.000 . 1 . . . . . 301 THR N . 52946 1 229 . 1 . 1 134 134 LYS H H 1 7.366 0.000 . 1 . . . . . 302 LYS H . 52946 1 230 . 1 . 1 134 134 LYS N N 15 118.494 0.000 . 1 . . . . . 302 LYS N . 52946 1 231 . 1 . 1 135 135 ARG H H 1 7.020 0.000 . 1 . . . . . 303 ARG H . 52946 1 232 . 1 . 1 135 135 ARG N N 15 119.931 0.000 . 1 . . . . . 303 ARG N . 52946 1 233 . 1 . 1 136 136 ASP H H 1 8.353 0.000 . 1 . . . . . 304 ASP H . 52946 1 234 . 1 . 1 136 136 ASP N N 15 114.846 0.000 . 1 . . . . . 304 ASP N . 52946 1 235 . 1 . 1 137 137 TRP H H 1 7.737 0.000 . 1 . . . . . 305 TRP H . 52946 1 236 . 1 . 1 137 137 TRP N N 15 121.573 0.000 . 1 . . . . . 305 TRP N . 52946 1 237 . 1 . 1 138 138 LEU H H 1 8.430 0.000 . 1 . . . . . 306 LEU H . 52946 1 238 . 1 . 1 138 138 LEU N N 15 117.277 0.000 . 1 . . . . . 306 LEU N . 52946 1 239 . 1 . 1 139 139 VAL H H 1 8.548 0.000 . 1 . . . . . 307 VAL H . 52946 1 240 . 1 . 1 139 139 VAL N N 15 117.910 0.000 . 1 . . . . . 307 VAL N . 52946 1 241 . 1 . 1 140 140 LYS H H 1 7.678 0.000 . 1 . . . . . 308 LYS H . 52946 1 242 . 1 . 1 140 140 LYS N N 15 122.559 0.000 . 1 . . . . . 308 LYS N . 52946 1 243 . 1 . 1 141 141 GLN H H 1 7.295 0.000 . 1 . . . . . 309 GLN H . 52946 1 244 . 1 . 1 141 141 GLN N N 15 115.777 0.000 . 1 . . . . . 309 GLN N . 52946 1 245 . 1 . 1 142 142 ARG H H 1 7.656 0.000 . 1 . . . . . 310 ARG H . 52946 1 246 . 1 . 1 142 142 ARG N N 15 110.328 0.000 . 1 . . . . . 310 ARG N . 52946 1 247 . 1 . 1 143 143 GLY H H 1 8.954 0.000 . 1 . . . . . 311 GLY H . 52946 1 248 . 1 . 1 143 143 GLY N N 15 108.241 0.000 . 1 . . . . . 311 GLY N . 52946 1 249 . 1 . 1 144 144 TRP H H 1 8.924 0.000 . 1 . . . . . 312 TRP H . 52946 1 250 . 1 . 1 144 144 TRP N N 15 124.145 0.000 . 1 . . . . . 312 TRP N . 52946 1 251 . 1 . 1 145 145 ASP H H 1 8.021 0.000 . 1 . . . . . 313 ASP H . 52946 1 252 . 1 . 1 145 145 ASP N N 15 119.207 0.000 . 1 . . . . . 313 ASP N . 52946 1 253 . 1 . 1 146 146 GLY H H 1 7.449 0.000 . 1 . . . . . 314 GLY H . 52946 1 254 . 1 . 1 146 146 GLY N N 15 109.773 0.000 . 1 . . . . . 314 GLY N . 52946 1 255 . 1 . 1 147 147 PHE H H 1 7.175 0.000 . 1 . . . . . 315 PHE H . 52946 1 256 . 1 . 1 147 147 PHE N N 15 124.317 0.000 . 1 . . . . . 315 PHE N . 52946 1 257 . 1 . 1 148 148 VAL H H 1 7.652 0.000 . 1 . . . . . 316 VAL H . 52946 1 258 . 1 . 1 148 148 VAL N N 15 116.637 0.000 . 1 . . . . . 316 VAL N . 52946 1 259 . 1 . 1 149 149 GLU H H 1 7.686 0.000 . 1 . . . . . 317 GLU H . 52946 1 260 . 1 . 1 149 149 GLU N N 15 117.953 0.000 . 1 . . . . . 317 GLU N . 52946 1 261 . 1 . 1 150 150 PHE H H 1 8.221 0.000 . 1 . . . . . 318 PHE H . 52946 1 262 . 1 . 1 150 150 PHE N N 15 120.344 0.000 . 1 . . . . . 318 PHE N . 52946 1 263 . 1 . 1 151 151 PHE H H 1 6.727 0.000 . 1 . . . . . 319 PHE H . 52946 1 264 . 1 . 1 151 151 PHE N N 15 111.362 0.000 . 1 . . . . . 319 PHE N . 52946 1 265 . 1 . 1 152 152 HIS H H 1 7.263 0.000 . 1 . . . . . 320 HIS H . 52946 1 266 . 1 . 1 152 152 HIS N N 15 119.039 0.000 . 1 . . . . . 320 HIS N . 52946 1 267 . 1 . 1 153 153 VAL H H 1 7.658 0.000 . 1 . . . . . 321 VAL H . 52946 1 268 . 1 . 1 153 153 VAL N N 15 124.923 0.000 . 1 . . . . . 321 VAL N . 52946 1 stop_ save_