################################### # 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 50283 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'M-complex 15N-HSCQ' _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' . . . 50283 1 13 '3D HNCACB' . . . 50283 1 14 '3D CBCA(CO)NH' . . . 50283 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 . . 50283 1 3 $software_3 . . 50283 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 2 2 LEU H H 1 8.265196 . . . . . . . . 114 LEU H . 50283 1 2 . 1 . 1 2 2 LEU N N 15 123.7879 . . . . . . . . 114 LEU N . 50283 1 3 . 1 . 1 3 3 ILE H H 1 8.217262 . . . . . . . . 115 ILE H . 50283 1 4 . 1 . 1 3 3 ILE N N 15 123.0076 . . . . . . . . 115 ILE N . 50283 1 5 . 1 . 1 4 4 VAL H H 1 7.873192 . . . . . . . . 116 VAL H . 50283 1 6 . 1 . 1 4 4 VAL N N 15 122.5137 . . . . . . . . 116 VAL N . 50283 1 7 . 1 . 1 6 6 TYR H H 1 9.110252 . . . . . . . . 118 TYR H . 50283 1 8 . 1 . 1 6 6 TYR N N 15 125.9351 . . . . . . . . 118 TYR N . 50283 1 9 . 1 . 1 7 7 ASN H H 1 7.699019 . . . . . . . . 119 ASN H . 50283 1 10 . 1 . 1 7 7 ASN N N 15 126.0216 . . . . . . . . 119 ASN N . 50283 1 11 . 1 . 1 8 8 LEU H H 1 9.347439 . . . . . . . . 120 LEU H . 50283 1 12 . 1 . 1 8 8 LEU N N 15 128.0220 . . . . . . . . 120 LEU N . 50283 1 13 . 1 . 1 10 10 LEU H H 1 7.787195 . . . . . . . . 122 LEU H . 50283 1 14 . 1 . 1 10 10 LEU N N 15 122.3773 . . . . . . . . 122 LEU N . 50283 1 15 . 1 . 1 12 12 GLY H H 1 8.685908 . . . . . . . . 124 GLY H . 50283 1 16 . 1 . 1 12 12 GLY N N 15 112.5544 . . . . . . . . 124 GLY N . 50283 1 17 . 1 . 1 13 13 GLY H H 1 8.208623 . . . . . . . . 125 GLY H . 50283 1 18 . 1 . 1 13 13 GLY N N 15 108.8924 . . . . . . . . 125 GLY N . 50283 1 19 . 1 . 1 14 14 VAL H H 1 7.105070 . . . . . . . . 126 VAL H . 50283 1 20 . 1 . 1 14 14 VAL N N 15 113.5827 . . . . . . . . 126 VAL N . 50283 1 21 . 1 . 1 15 15 VAL H H 1 6.480463 . . . . . . . . 127 VAL H . 50283 1 22 . 1 . 1 15 15 VAL N N 15 116.7940 . . . . . . . . 127 VAL N . 50283 1 23 . 1 . 1 17 17 ARG H H 1 8.685908 . . . . . . . . 129 ARG H . 50283 1 24 . 1 . 1 17 17 ARG N N 15 112.5544 . . . . . . . . 129 ARG N . 50283 1 25 . 1 . 1 18 18 MET H H 1 7.818654 . . . . . . . . 130 MET H . 50283 1 26 . 1 . 1 18 18 MET N N 15 119.2204 . . . . . . . . 130 MET N . 50283 1 27 . 1 . 1 19 19 LEU H H 1 9.135628 . . . . . . . . 131 LEU H . 50283 1 28 . 1 . 1 19 19 LEU N N 15 128.4882 . . . . . . . . 131 LEU N . 50283 1 29 . 1 . 1 20 20 ILE H H 1 9.867892 . . . . . . . . 132 ILE H . 50283 1 30 . 1 . 1 20 20 ILE N N 15 132.3360 . . . . . . . . 132 ILE N . 50283 1 31 . 1 . 1 21 21 THR H H 1 9.066273 . . . . . . . . 133 THR H . 50283 1 32 . 1 . 1 21 21 THR N N 15 123.6484 . . . . . . . . 133 THR N . 50283 1 33 . 1 . 1 22 22 ILE H H 1 9.614432 . . . . . . . . 134 ILE H . 50283 1 34 . 1 . 1 22 22 ILE N N 15 130.0426 . . . . . . . . 134 ILE N . 50283 1 35 . 1 . 1 23 23 LEU H H 1 8.759531 . . . . . . . . 135 LEU H . 50283 1 36 . 1 . 1 23 23 LEU N N 15 126.9207 . . . . . . . . 135 LEU N . 50283 1 37 . 1 . 1 24 24 GLY H H 1 6.896656 . . . . . . . . 136 GLY H . 50283 1 38 . 1 . 1 24 24 GLY N N 15 108.4324 . . . . . . . . 136 GLY N . 50283 1 39 . 1 . 1 25 25 THR H H 1 8.905196 . . . . . . . . 137 THR H . 50283 1 40 . 1 . 1 25 25 THR N N 15 115.9080 . . . . . . . . 137 THR N . 50283 1 41 . 1 . 1 26 26 VAL H H 1 8.340022 . . . . . . . . 138 VAL H . 50283 1 42 . 1 . 1 26 26 VAL N N 15 128.2615 . . . . . . . . 138 VAL N . 50283 1 43 . 1 . 1 27 27 LYS H H 1 8.133993 . . . . . . . . 139 LYS H . 50283 1 44 . 1 . 1 27 27 LYS N N 15 128.4818 . . . . . . . . 139 LYS N . 50283 1 45 . 1 . 1 29 29 ASN H H 1 8.357748 . . . . . . . . 141 ASN H . 50283 1 46 . 1 . 1 29 29 ASN N N 15 115.6556 . . . . . . . . 141 ASN N . 50283 1 47 . 1 . 1 30 30 ALA H H 1 6.842893 . . . . . . . . 142 ALA H . 50283 1 48 . 1 . 1 30 30 ALA N N 15 119.4466 . . . . . . . . 142 ALA N . 50283 1 49 . 1 . 1 31 31 ASN H H 1 9.672342 . . . . . . . . 143 ASN H . 50283 1 50 . 1 . 1 31 31 ASN N N 15 116.6206 . . . . . . . . 143 ASN N . 50283 1 51 . 1 . 1 32 32 ARG H H 1 8.646884 . . . . . . . . 144 ARG H . 50283 1 52 . 1 . 1 32 32 ARG N N 15 117.1785 . . . . . . . . 144 ARG N . 50283 1 53 . 1 . 1 33 33 ILE H H 1 8.132092 . . . . . . . . 145 ILE H . 50283 1 54 . 1 . 1 33 33 ILE N N 15 119.7489 . . . . . . . . 145 ILE N . 50283 1 55 . 1 . 1 34 34 ALA H H 1 8.714284 . . . . . . . . 146 ALA H . 50283 1 56 . 1 . 1 34 34 ALA N N 15 126.4368 . . . . . . . . 146 ALA N . 50283 1 57 . 1 . 1 35 35 LEU H H 1 8.251546 . . . . . . . . 147 LEU H . 50283 1 58 . 1 . 1 35 35 LEU N N 15 120.8298 . . . . . . . . 147 LEU N . 50283 1 59 . 1 . 1 36 36 ASP H H 1 8.953907 . . . . . . . . 148 ASP H . 50283 1 60 . 1 . 1 36 36 ASP N N 15 120.5063 . . . . . . . . 148 ASP N . 50283 1 61 . 1 . 1 37 37 PHE H H 1 9.264164 . . . . . . . . 149 PHE H . 50283 1 62 . 1 . 1 37 37 PHE N N 15 125.3515 . . . . . . . . 149 PHE N . 50283 1 63 . 1 . 1 38 38 GLN H H 1 9.088387 . . . . . . . . 150 GLN H . 50283 1 64 . 1 . 1 38 38 GLN N N 15 127.2745 . . . . . . . . 150 GLN N . 50283 1 65 . 1 . 1 39 39 ARG H H 1 8.085408 . . . . . . . . 151 ARG H . 50283 1 66 . 1 . 1 39 39 ARG N N 15 125.4140 . . . . . . . . 151 ARG N . 50283 1 67 . 1 . 1 42 42 ASP H H 1 8.408367 . . . . . . . . 154 ASP H . 50283 1 68 . 1 . 1 42 42 ASP N N 15 119.9094 . . . . . . . . 154 ASP N . 50283 1 69 . 1 . 1 43 43 VAL H H 1 9.201696 . . . . . . . . 155 VAL H . 50283 1 70 . 1 . 1 43 43 VAL N N 15 120.9187 . . . . . . . . 155 VAL N . 50283 1 71 . 1 . 1 44 44 ALA H H 1 8.872639 . . . . . . . . 156 ALA H . 50283 1 72 . 1 . 1 44 44 ALA N N 15 127.9980 . . . . . . . . 156 ALA N . 50283 1 73 . 1 . 1 45 45 PHE H H 1 7.572588 . . . . . . . . 157 PHE H . 50283 1 74 . 1 . 1 45 45 PHE N N 15 118.8279 . . . . . . . . 157 PHE N . 50283 1 75 . 1 . 1 46 46 HIS H H 1 9.252151 . . . . . . . . 158 HIS H . 50283 1 76 . 1 . 1 46 46 HIS N N 15 133.3445 . . . . . . . . 158 HIS N . 50283 1 77 . 1 . 1 47 47 PHE H H 1 8.351408 . . . . . . . . 159 PHE H . 50283 1 78 . 1 . 1 47 47 PHE N N 15 127.2466 . . . . . . . . 159 PHE N . 50283 1 79 . 1 . 1 48 48 ASN H H 1 8.351128 . . . . . . . . 160 ASN H . 50283 1 80 . 1 . 1 48 48 ASN N N 15 122.7859 . . . . . . . . 160 ASN N . 50283 1 81 . 1 . 1 50 50 ARG H H 1 9.251062 . . . . . . . . 162 ARG H . 50283 1 82 . 1 . 1 50 50 ARG N N 15 125.5181 . . . . . . . . 162 ARG N . 50283 1 83 . 1 . 1 51 51 PHE H H 1 8.205220 . . . . . . . . 163 PHE H . 50283 1 84 . 1 . 1 51 51 PHE N N 15 118.6509 . . . . . . . . 163 PHE N . 50283 1 85 . 1 . 1 52 52 ASN H H 1 8.665717 . . . . . . . . 164 ASN H . 50283 1 86 . 1 . 1 52 52 ASN N N 15 117.5858 . . . . . . . . 164 ASN N . 50283 1 87 . 1 . 1 53 53 GLU H H 1 8.923554 . . . . . . . . 165 GLU H . 50283 1 88 . 1 . 1 53 53 GLU N N 15 125.5652 . . . . . . . . 165 GLU N . 50283 1 89 . 1 . 1 55 55 ASN H H 1 7.997867 . . . . . . . . 167 ASN H . 50283 1 90 . 1 . 1 55 55 ASN N N 15 108.0372 . . . . . . . . 167 ASN N . 50283 1 91 . 1 . 1 56 56 ARG H H 1 7.359840 . . . . . . . . 168 ARG H . 50283 1 92 . 1 . 1 56 56 ARG N N 15 117.2666 . . . . . . . . 168 ARG N . 50283 1 93 . 1 . 1 57 57 ARG H H 1 7.856012 . . . . . . . . 169 ARG H . 50283 1 94 . 1 . 1 57 57 ARG N N 15 118.8760 . . . . . . . . 169 ARG N . 50283 1 95 . 1 . 1 58 58 VAL H H 1 8.569866 . . . . . . . . 170 VAL H . 50283 1 96 . 1 . 1 58 58 VAL N N 15 121.8478 . . . . . . . . 170 VAL N . 50283 1 97 . 1 . 1 59 59 ILE H H 1 8.745497 . . . . . . . . 171 ILE H . 50283 1 98 . 1 . 1 59 59 ILE N N 15 124.7790 . . . . . . . . 171 ILE N . 50283 1 99 . 1 . 1 60 60 VAL H H 1 7.297407 . . . . . . . . 172 VAL H . 50283 1 100 . 1 . 1 60 60 VAL N N 15 127.8493 . . . . . . . . 172 VAL N . 50283 1 101 . 1 . 1 61 61 CYS H H 1 8.887610 . . . . . . . . 173 CYS H . 50283 1 102 . 1 . 1 61 61 CYS N N 15 123.9345 . . . . . . . . 173 CYS N . 50283 1 103 . 1 . 1 62 62 ASN H H 1 8.947369 . . . . . . . . 174 ASN H . 50283 1 104 . 1 . 1 62 62 ASN N N 15 119.2069 . . . . . . . . 174 ASN N . 50283 1 105 . 1 . 1 63 63 THR H H 1 10.01967 . . . . . . . . 175 THR H . 50283 1 106 . 1 . 1 63 63 THR N N 15 118.6809 . . . . . . . . 175 THR N . 50283 1 107 . 1 . 1 64 64 LYS H H 1 9.071410 . . . . . . . . 176 LYS H . 50283 1 108 . 1 . 1 64 64 LYS N N 15 130.6924 . . . . . . . . 176 LYS N . 50283 1 109 . 1 . 1 65 65 LEU H H 1 7.885405 . . . . . . . . 177 LEU H . 50283 1 110 . 1 . 1 65 65 LEU N N 15 126.1420 . . . . . . . . 177 LEU N . 50283 1 111 . 1 . 1 66 66 ASP H H 1 8.945503 . . . . . . . . 178 ASP H . 50283 1 112 . 1 . 1 66 66 ASP N N 15 125.9443 . . . . . . . . 178 ASP N . 50283 1 113 . 1 . 1 67 67 ASN H H 1 9.159589 . . . . . . . . 179 ASN H . 50283 1 114 . 1 . 1 67 67 ASN N N 15 108.4454 . . . . . . . . 179 ASN N . 50283 1 115 . 1 . 1 68 68 ASN H H 1 7.760246 . . . . . . . . 180 ASN H . 50283 1 116 . 1 . 1 68 68 ASN N N 15 117.7502 . . . . . . . . 180 ASN N . 50283 1 117 . 1 . 1 69 69 TRP H H 1 8.936656 . . . . . . . . 181 TRP H . 50283 1 118 . 1 . 1 69 69 TRP N N 15 126.8404 . . . . . . . . 181 TRP N . 50283 1 119 . 1 . 1 70 70 GLY H H 1 8.182912 . . . . . . . . 182 GLY H . 50283 1 120 . 1 . 1 70 70 GLY N N 15 110.3621 . . . . . . . . 182 GLY N . 50283 1 121 . 1 . 1 71 71 ARG H H 1 8.679743 . . . . . . . . 183 ARG H . 50283 1 122 . 1 . 1 71 71 ARG N N 15 125.0607 . . . . . . . . 183 ARG N . 50283 1 123 . 1 . 1 72 72 GLU H H 1 8.847685 . . . . . . . . 184 GLU H . 50283 1 124 . 1 . 1 72 72 GLU N N 15 125.1962 . . . . . . . . 184 GLU N . 50283 1 125 . 1 . 1 73 73 GLU H H 1 9.104232 . . . . . . . . 185 GLU H . 50283 1 126 . 1 . 1 73 73 GLU N N 15 122.1043 . . . . . . . . 185 GLU N . 50283 1 127 . 1 . 1 74 74 ARG H H 1 8.899797 . . . . . . . . 186 ARG H . 50283 1 128 . 1 . 1 74 74 ARG N N 15 124.7888 . . . . . . . . 186 ARG N . 50283 1 129 . 1 . 1 75 75 GLN H H 1 8.781481 . . . . . . . . 187 GLN H . 50283 1 130 . 1 . 1 75 75 GLN N N 15 121.7622 . . . . . . . . 187 GLN N . 50283 1 131 . 1 . 1 77 77 VAL H H 1 7.854613 . . . . . . . . 189 VAL H . 50283 1 132 . 1 . 1 77 77 VAL N N 15 125.6114 . . . . . . . . 189 VAL N . 50283 1 133 . 1 . 1 78 78 PHE H H 1 8.313435 . . . . . . . . 190 PHE H . 50283 1 134 . 1 . 1 78 78 PHE N N 15 125.5832 . . . . . . . . 190 PHE N . 50283 1 135 . 1 . 1 80 80 PHE H H 1 5.751178 . . . . . . . . 192 PHE H . 50283 1 136 . 1 . 1 80 80 PHE N N 15 113.8848 . . . . . . . . 192 PHE N . 50283 1 137 . 1 . 1 81 81 GLU H H 1 9.189688 . . . . . . . . 193 GLU H . 50283 1 138 . 1 . 1 81 81 GLU N N 15 119.9672 . . . . . . . . 193 GLU N . 50283 1 139 . 1 . 1 82 82 SER H H 1 9.024732 . . . . . . . . 194 SER H . 50283 1 140 . 1 . 1 82 82 SER N N 15 120.4891 . . . . . . . . 194 SER N . 50283 1 141 . 1 . 1 83 83 GLY H H 1 7.034119 . . . . . . . . 195 GLY H . 50283 1 142 . 1 . 1 83 83 GLY N N 15 112.5891 . . . . . . . . 195 GLY N . 50283 1 143 . 1 . 1 84 84 LYS H H 1 7.733374 . . . . . . . . 196 LYS H . 50283 1 144 . 1 . 1 84 84 LYS N N 15 118.1137 . . . . . . . . 196 LYS N . 50283 1 145 . 1 . 1 86 86 PHE H H 1 8.693202 . . . . . . . . 198 PHE H . 50283 1 146 . 1 . 1 86 86 PHE N N 15 116.3208 . . . . . . . . 198 PHE N . 50283 1 147 . 1 . 1 87 87 LYS H H 1 8.075898 . . . . . . . . 199 LYS H . 50283 1 148 . 1 . 1 87 87 LYS N N 15 121.6065 . . . . . . . . 199 LYS N . 50283 1 149 . 1 . 1 88 88 ILE H H 1 9.768265 . . . . . . . . 200 ILE H . 50283 1 150 . 1 . 1 88 88 ILE N N 15 127.3716 . . . . . . . . 200 ILE N . 50283 1 151 . 1 . 1 89 89 GLN H H 1 9.263164 . . . . . . . . 201 GLN H . 50283 1 152 . 1 . 1 89 89 GLN N N 15 125.1875 . . . . . . . . 201 GLN N . 50283 1 153 . 1 . 1 90 90 VAL H H 1 9.533564 . . . . . . . . 202 VAL H . 50283 1 154 . 1 . 1 90 90 VAL N N 15 124.0842 . . . . . . . . 202 VAL N . 50283 1 155 . 1 . 1 91 91 LEU H H 1 9.402512 . . . . . . . . 203 LEU H . 50283 1 156 . 1 . 1 91 91 LEU N N 15 130.4992 . . . . . . . . 203 LEU N . 50283 1 157 . 1 . 1 92 92 VAL H H 1 8.966164 . . . . . . . . 204 VAL H . 50283 1 158 . 1 . 1 92 92 VAL N N 15 127.4035 . . . . . . . . 204 VAL N . 50283 1 159 . 1 . 1 93 93 GLU H H 1 8.300499 . . . . . . . . 205 GLU H . 50283 1 160 . 1 . 1 93 93 GLU N N 15 128.2502 . . . . . . . . 205 GLU N . 50283 1 161 . 1 . 1 95 95 ASP H H 1 7.949297 . . . . . . . . 207 ASP H . 50283 1 162 . 1 . 1 95 95 ASP N N 15 107.0935 . . . . . . . . 207 ASP N . 50283 1 163 . 1 . 1 96 96 HIS H H 1 6.442309 . . . . . . . . 208 HIS H . 50283 1 164 . 1 . 1 96 96 HIS N N 15 116.1704 . . . . . . . . 208 HIS N . 50283 1 165 . 1 . 1 97 97 PHE H H 1 8.493338 . . . . . . . . 209 PHE H . 50283 1 166 . 1 . 1 97 97 PHE N N 15 114.6089 . . . . . . . . 209 PHE N . 50283 1 167 . 1 . 1 98 98 LYS H H 1 9.657872 . . . . . . . . 210 LYS H . 50283 1 168 . 1 . 1 98 98 LYS N N 15 123.5698 . . . . . . . . 210 LYS N . 50283 1 169 . 1 . 1 99 99 VAL H H 1 9.063460 . . . . . . . . 211 VAL H . 50283 1 170 . 1 . 1 99 99 VAL N N 15 123.3569 . . . . . . . . 211 VAL N . 50283 1 171 . 1 . 1 100 100 ALA H H 1 9.229257 . . . . . . . . 212 ALA H . 50283 1 172 . 1 . 1 100 100 ALA N N 15 130.4346 . . . . . . . . 212 ALA N . 50283 1 173 . 1 . 1 101 101 VAL H H 1 8.436335 . . . . . . . . 213 VAL H . 50283 1 174 . 1 . 1 101 101 VAL N N 15 121.0287 . . . . . . . . 213 VAL N . 50283 1 175 . 1 . 1 102 102 ASN H H 1 9.855972 . . . . . . . . 214 ASN H . 50283 1 176 . 1 . 1 102 102 ASN N N 15 127.4204 . . . . . . . . 214 ASN N . 50283 1 177 . 1 . 1 103 103 ASP H H 1 8.933136 . . . . . . . . 215 ASP H . 50283 1 178 . 1 . 1 103 103 ASP N N 15 107.7880 . . . . . . . . 215 ASP N . 50283 1 179 . 1 . 1 104 104 ALA H H 1 7.631555 . . . . . . . . 216 ALA H . 50283 1 180 . 1 . 1 104 104 ALA N N 15 121.6517 . . . . . . . . 216 ALA N . 50283 1 181 . 1 . 1 106 106 LEU H H 1 8.883370 . . . . . . . . 218 LEU H . 50283 1 182 . 1 . 1 106 106 LEU N N 15 127.9318 . . . . . . . . 218 LEU N . 50283 1 183 . 1 . 1 107 107 LEU H H 1 7.521457 . . . . . . . . 219 LEU H . 50283 1 184 . 1 . 1 107 107 LEU N N 15 110.0839 . . . . . . . . 219 LEU N . 50283 1 185 . 1 . 1 108 108 GLN H H 1 8.725882 . . . . . . . . 220 GLN H . 50283 1 186 . 1 . 1 108 108 GLN N N 15 119.0878 . . . . . . . . 220 GLN N . 50283 1 187 . 1 . 1 109 109 TYR H H 1 8.890291 . . . . . . . . 221 TYR H . 50283 1 188 . 1 . 1 109 109 TYR N N 15 125.5925 . . . . . . . . 221 TYR N . 50283 1 189 . 1 . 1 110 110 ASN H H 1 9.278335 . . . . . . . . 222 ASN H . 50283 1 190 . 1 . 1 110 110 ASN N N 15 129.8011 . . . . . . . . 222 ASN N . 50283 1 191 . 1 . 1 111 111 HIS H H 1 7.117794 . . . . . . . . 223 HIS H . 50283 1 192 . 1 . 1 111 111 HIS N N 15 117.2075 . . . . . . . . 223 HIS N . 50283 1 193 . 1 . 1 112 112 ARG H H 1 9.436021 . . . . . . . . 224 ARG H . 50283 1 194 . 1 . 1 112 112 ARG N N 15 125.4071 . . . . . . . . 224 ARG N . 50283 1 195 . 1 . 1 113 113 VAL H H 1 8.320661 . . . . . . . . 225 VAL H . 50283 1 196 . 1 . 1 113 113 VAL N N 15 120.5308 . . . . . . . . 225 VAL N . 50283 1 197 . 1 . 1 115 115 LYS H H 1 7.049996 . . . . . . . . 227 LYS H . 50283 1 198 . 1 . 1 115 115 LYS N N 15 120.7195 . . . . . . . . 227 LYS N . 50283 1 199 . 1 . 1 116 116 LEU H H 1 7.596728 . . . . . . . . 228 LEU H . 50283 1 200 . 1 . 1 116 116 LEU N N 15 122.8666 . . . . . . . . 228 LEU N . 50283 1 201 . 1 . 1 117 117 ASN H H 1 8.348247 . . . . . . . . 229 ASN H . 50283 1 202 . 1 . 1 117 117 ASN N N 15 112.8399 . . . . . . . . 229 ASN N . 50283 1 203 . 1 . 1 118 118 GLU H H 1 7.363735 . . . . . . . . 230 GLU H . 50283 1 204 . 1 . 1 118 118 GLU N N 15 116.3923 . . . . . . . . 230 GLU N . 50283 1 205 . 1 . 1 119 119 ILE H H 1 7.656382 . . . . . . . . 231 ILE H . 50283 1 206 . 1 . 1 119 119 ILE N N 15 122.1931 . . . . . . . . 231 ILE N . 50283 1 207 . 1 . 1 120 120 SER H H 1 7.656860 . . . . . . . . 232 SER H . 50283 1 208 . 1 . 1 120 120 SER N N 15 116.1748 . . . . . . . . 232 SER N . 50283 1 209 . 1 . 1 121 121 LYS H H 1 7.823141 . . . . . . . . 233 LYS H . 50283 1 210 . 1 . 1 121 121 LYS N N 15 120.9149 . . . . . . . . 233 LYS N . 50283 1 211 . 1 . 1 122 122 LEU H H 1 8.554547 . . . . . . . . 234 LEU H . 50283 1 212 . 1 . 1 122 122 LEU N N 15 124.5334 . . . . . . . . 234 LEU N . 50283 1 213 . 1 . 1 123 123 GLY H H 1 9.301619 . . . . . . . . 235 GLY H . 50283 1 214 . 1 . 1 123 123 GLY N N 15 114.4329 . . . . . . . . 235 GLY N . 50283 1 215 . 1 . 1 124 124 ILE H H 1 9.156308 . . . . . . . . 236 ILE H . 50283 1 216 . 1 . 1 124 124 ILE N N 15 126.4686 . . . . . . . . 236 ILE N . 50283 1 217 . 1 . 1 125 125 SER H H 1 9.166786 . . . . . . . . 237 SER H . 50283 1 218 . 1 . 1 125 125 SER N N 15 119.9517 . . . . . . . . 237 SER N . 50283 1 219 . 1 . 1 126 126 GLY H H 1 9.023146 . . . . . . . . 238 GLY H . 50283 1 220 . 1 . 1 126 126 GLY N N 15 106.4531 . . . . . . . . 238 GLY N . 50283 1 221 . 1 . 1 127 127 ASP H H 1 8.709250 . . . . . . . . 239 ASP H . 50283 1 222 . 1 . 1 127 127 ASP N N 15 122.3486 . . . . . . . . 239 ASP N . 50283 1 223 . 1 . 1 128 128 ILE H H 1 7.962929 . . . . . . . . 240 ILE H . 50283 1 224 . 1 . 1 128 128 ILE N N 15 112.4889 . . . . . . . . 240 ILE N . 50283 1 225 . 1 . 1 129 129 ASP H H 1 8.858115 . . . . . . . . 241 ASP H . 50283 1 226 . 1 . 1 129 129 ASP N N 15 121.1119 . . . . . . . . 241 ASP N . 50283 1 227 . 1 . 1 130 130 LEU H H 1 9.231255 . . . . . . . . 242 LEU H . 50283 1 228 . 1 . 1 130 130 LEU N N 15 126.3878 . . . . . . . . 242 LEU N . 50283 1 229 . 1 . 1 131 131 THR H H 1 8.984450 . . . . . . . . 243 THR H . 50283 1 230 . 1 . 1 131 131 THR N N 15 121.3257 . . . . . . . . 243 THR N . 50283 1 231 . 1 . 1 132 132 SER H H 1 7.739711 . . . . . . . . 244 SER H . 50283 1 232 . 1 . 1 132 132 SER N N 15 111.9680 . . . . . . . . 244 SER N . 50283 1 233 . 1 . 1 133 133 ALA H H 1 8.268457 . . . . . . . . 245 ALA H . 50283 1 234 . 1 . 1 133 133 ALA N N 15 125.8765 . . . . . . . . 245 ALA N . 50283 1 235 . 1 . 1 134 134 SER H H 1 8.537204 . . . . . . . . 246 SER H . 50283 1 236 . 1 . 1 134 134 SER N N 15 115.2226 . . . . . . . . 246 SER N . 50283 1 237 . 1 . 1 135 135 TYR H H 1 8.323666 . . . . . . . . 247 TYR H . 50283 1 238 . 1 . 1 135 135 TYR N N 15 115.1978 . . . . . . . . 247 TYR N . 50283 1 239 . 1 . 1 136 136 THR H H 1 8.845192 . . . . . . . . 248 THR H . 50283 1 240 . 1 . 1 136 136 THR N N 15 115.1348 . . . . . . . . 248 THR N . 50283 1 241 . 1 . 1 137 137 MET H H 1 8.081929 . . . . . . . . 249 MET H . 50283 1 242 . 1 . 1 137 137 MET N N 15 120.7794 . . . . . . . . 249 MET N . 50283 1 243 . 1 . 1 138 138 ILE H H 1 8.568969 . . . . . . . . 250 ILE H . 50283 1 244 . 1 . 1 138 138 ILE N N 15 125.1898 . . . . . . . . 250 ILE N . 50283 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50283 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'M-complex 13C-HSCQ' _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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' . . . 50283 2 12 '2D 1H-13C HSQC aliphatic' . . . 50283 2 13 '3D HNCACB' . . . 50283 2 14 '3D CBCA(CO)NH' . . . 50283 2 15 '3D HCCH-TOCSY' . . . 50283 2 24 '3D CCH-TOCSY' . . . 50283 2 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 . . 50283 2 3 $software_3 . . 50283 2 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 2 2 LEU HD11 H 1 0.2294766 . . . . . . . . 114 LEU HD1 . 50283 2 2 . 1 . 1 2 2 LEU HD12 H 1 0.2294766 . . . . . . . . 114 LEU HD1 . 50283 2 3 . 1 . 1 2 2 LEU HD13 H 1 0.2294766 . . . . . . . . 114 LEU HD1 . 50283 2 4 . 1 . 1 2 2 LEU HD21 H 1 0.6965514 . . . . . . . . 114 LEU HD2 . 50283 2 5 . 1 . 1 2 2 LEU HD22 H 1 0.6965514 . . . . . . . . 114 LEU HD2 . 50283 2 6 . 1 . 1 2 2 LEU HD23 H 1 0.6965514 . . . . . . . . 114 LEU HD2 . 50283 2 7 . 1 . 1 2 2 LEU CD1 C 13 23.7178100 . . . . . . . . 114 LEU CD1 . 50283 2 8 . 1 . 1 2 2 LEU CD2 C 13 21.9914900 . . . . . . . . 114 LEU CD2 . 50283 2 9 . 1 . 1 3 3 ILE HG21 H 1 0.9439086 . . . . . . . . 115 ILE HG2 . 50283 2 10 . 1 . 1 3 3 ILE HG22 H 1 0.9439086 . . . . . . . . 115 ILE HG2 . 50283 2 11 . 1 . 1 3 3 ILE HG23 H 1 0.9439086 . . . . . . . . 115 ILE HG2 . 50283 2 12 . 1 . 1 3 3 ILE HD11 H 1 0.9119507 . . . . . . . . 115 ILE HD1 . 50283 2 13 . 1 . 1 3 3 ILE HD12 H 1 0.9119507 . . . . . . . . 115 ILE HD1 . 50283 2 14 . 1 . 1 3 3 ILE HD13 H 1 0.9119507 . . . . . . . . 115 ILE HD1 . 50283 2 15 . 1 . 1 3 3 ILE CG2 C 13 17.3005600 . . . . . . . . 115 ILE CG2 . 50283 2 16 . 1 . 1 3 3 ILE CD1 C 13 12.2881400 . . . . . . . . 115 ILE CD1 . 50283 2 17 . 1 . 1 4 4 VAL HG11 H 1 1.0831720 . . . . . . . . 116 VAL HG1 . 50283 2 18 . 1 . 1 4 4 VAL HG12 H 1 1.0831720 . . . . . . . . 116 VAL HG1 . 50283 2 19 . 1 . 1 4 4 VAL HG13 H 1 1.0831720 . . . . . . . . 116 VAL HG1 . 50283 2 20 . 1 . 1 4 4 VAL HG21 H 1 1.1639240 . . . . . . . . 116 VAL HG2 . 50283 2 21 . 1 . 1 4 4 VAL HG22 H 1 1.1639240 . . . . . . . . 116 VAL HG2 . 50283 2 22 . 1 . 1 4 4 VAL HG23 H 1 1.1639240 . . . . . . . . 116 VAL HG2 . 50283 2 23 . 1 . 1 4 4 VAL CG1 C 13 21.6527100 . . . . . . . . 116 VAL CG1 . 50283 2 24 . 1 . 1 4 4 VAL CG2 C 13 21.3711900 . . . . . . . . 116 VAL CG2 . 50283 2 25 . 1 . 1 8 8 LEU HD11 H 1 0.8393768 . . . . . . . . 120 LEU HD1 . 50283 2 26 . 1 . 1 8 8 LEU HD12 H 1 0.8393768 . . . . . . . . 120 LEU HD1 . 50283 2 27 . 1 . 1 8 8 LEU HD13 H 1 0.8393768 . . . . . . . . 120 LEU HD1 . 50283 2 28 . 1 . 1 8 8 LEU HD21 H 1 1.1852820 . . . . . . . . 120 LEU HD2 . 50283 2 29 . 1 . 1 8 8 LEU HD22 H 1 1.1852820 . . . . . . . . 120 LEU HD2 . 50283 2 30 . 1 . 1 8 8 LEU HD23 H 1 1.1852820 . . . . . . . . 120 LEU HD2 . 50283 2 31 . 1 . 1 8 8 LEU CD1 C 13 26.4736800 . . . . . . . . 120 LEU CD1 . 50283 2 32 . 1 . 1 8 8 LEU CD2 C 13 24.0574100 . . . . . . . . 120 LEU CD2 . 50283 2 33 . 1 . 1 10 10 LEU HD11 H 1 0.5011606 . . . . . . . . 122 LEU HD1 . 50283 2 34 . 1 . 1 10 10 LEU HD12 H 1 0.5011606 . . . . . . . . 122 LEU HD1 . 50283 2 35 . 1 . 1 10 10 LEU HD13 H 1 0.5011606 . . . . . . . . 122 LEU HD1 . 50283 2 36 . 1 . 1 10 10 LEU HD21 H 1 0.6961561 . . . . . . . . 122 LEU HD2 . 50283 2 37 . 1 . 1 10 10 LEU HD22 H 1 0.6961561 . . . . . . . . 122 LEU HD2 . 50283 2 38 . 1 . 1 10 10 LEU HD23 H 1 0.6961561 . . . . . . . . 122 LEU HD2 . 50283 2 39 . 1 . 1 10 10 LEU CD1 C 13 23.1649900 . . . . . . . . 122 LEU CD1 . 50283 2 40 . 1 . 1 10 10 LEU CD2 C 13 26.1145000 . . . . . . . . 122 LEU CD2 . 50283 2 41 . 1 . 1 14 14 VAL HG11 H 1 0.9791759 . . . . . . . . 126 VAL HG1 . 50283 2 42 . 1 . 1 14 14 VAL HG12 H 1 0.9791759 . . . . . . . . 126 VAL HG1 . 50283 2 43 . 1 . 1 14 14 VAL HG13 H 1 0.9791759 . . . . . . . . 126 VAL HG1 . 50283 2 44 . 1 . 1 14 14 VAL HG21 H 1 0.9918865 . . . . . . . . 126 VAL HG2 . 50283 2 45 . 1 . 1 14 14 VAL HG22 H 1 0.9918865 . . . . . . . . 126 VAL HG2 . 50283 2 46 . 1 . 1 14 14 VAL HG23 H 1 0.9918865 . . . . . . . . 126 VAL HG2 . 50283 2 47 . 1 . 1 14 14 VAL CG1 C 13 22.1413500 . . . . . . . . 126 VAL CG1 . 50283 2 48 . 1 . 1 14 14 VAL CG2 C 13 23.5181700 . . . . . . . . 126 VAL CG2 . 50283 2 49 . 1 . 1 15 15 VAL HG11 H 1 0.7910982 . . . . . . . . 127 VAL HG1 . 50283 2 50 . 1 . 1 15 15 VAL HG12 H 1 0.7910982 . . . . . . . . 127 VAL HG1 . 50283 2 51 . 1 . 1 15 15 VAL HG13 H 1 0.7910982 . . . . . . . . 127 VAL HG1 . 50283 2 52 . 1 . 1 15 15 VAL HG21 H 1 0.8748535 . . . . . . . . 127 VAL HG2 . 50283 2 53 . 1 . 1 15 15 VAL HG22 H 1 0.8748535 . . . . . . . . 127 VAL HG2 . 50283 2 54 . 1 . 1 15 15 VAL HG23 H 1 0.8748535 . . . . . . . . 127 VAL HG2 . 50283 2 55 . 1 . 1 15 15 VAL CG1 C 13 19.5037200 . . . . . . . . 127 VAL CG1 . 50283 2 56 . 1 . 1 15 15 VAL CG2 C 13 21.0821100 . . . . . . . . 127 VAL CG2 . 50283 2 57 . 1 . 1 18 18 MET HE1 H 1 1.7407580 . . . . . . . . 130 MET HE . 50283 2 58 . 1 . 1 18 18 MET HE2 H 1 1.7407580 . . . . . . . . 130 MET HE . 50283 2 59 . 1 . 1 18 18 MET HE3 H 1 1.7407580 . . . . . . . . 130 MET HE . 50283 2 60 . 1 . 1 18 18 MET CE C 13 17.3532900 . . . . . . . . 130 MET CE . 50283 2 61 . 1 . 1 19 19 LEU HD11 H 1 0.7829450 . . . . . . . . 131 LEU HD1 . 50283 2 62 . 1 . 1 19 19 LEU HD12 H 1 0.7829450 . . . . . . . . 131 LEU HD1 . 50283 2 63 . 1 . 1 19 19 LEU HD13 H 1 0.7829450 . . . . . . . . 131 LEU HD1 . 50283 2 64 . 1 . 1 19 19 LEU HD21 H 1 0.8162248 . . . . . . . . 131 LEU HD2 . 50283 2 65 . 1 . 1 19 19 LEU HD22 H 1 0.8162248 . . . . . . . . 131 LEU HD2 . 50283 2 66 . 1 . 1 19 19 LEU HD23 H 1 0.8162248 . . . . . . . . 131 LEU HD2 . 50283 2 67 . 1 . 1 19 19 LEU CD1 C 13 25.9089200 . . . . . . . . 131 LEU CD1 . 50283 2 68 . 1 . 1 19 19 LEU CD2 C 13 23.7588700 . . . . . . . . 131 LEU CD2 . 50283 2 69 . 1 . 1 20 20 ILE HG21 H 1 0.8879150 . . . . . . . . 132 ILE HG2 . 50283 2 70 . 1 . 1 20 20 ILE HG22 H 1 0.8879150 . . . . . . . . 132 ILE HG2 . 50283 2 71 . 1 . 1 20 20 ILE HG23 H 1 0.8879150 . . . . . . . . 132 ILE HG2 . 50283 2 72 . 1 . 1 20 20 ILE HD11 H 1 1.1594370 . . . . . . . . 132 ILE HD1 . 50283 2 73 . 1 . 1 20 20 ILE HD12 H 1 1.1594370 . . . . . . . . 132 ILE HD1 . 50283 2 74 . 1 . 1 20 20 ILE HD13 H 1 1.1594370 . . . . . . . . 132 ILE HD1 . 50283 2 75 . 1 . 1 20 20 ILE CG2 C 13 17.7598500 . . . . . . . . 132 ILE CG2 . 50283 2 76 . 1 . 1 20 20 ILE CD1 C 13 15.1877100 . . . . . . . . 132 ILE CD1 . 50283 2 77 . 1 . 1 21 21 THR HG21 H 1 1.0707720 . . . . . . . . 133 THR HG2 . 50283 2 78 . 1 . 1 21 21 THR HG22 H 1 1.0707720 . . . . . . . . 133 THR HG2 . 50283 2 79 . 1 . 1 21 21 THR HG23 H 1 1.0707720 . . . . . . . . 133 THR HG2 . 50283 2 80 . 1 . 1 21 21 THR CG2 C 13 21.0462300 . . . . . . . . 133 THR CG2 . 50283 2 81 . 1 . 1 22 22 ILE HG21 H 1 0.9695021 . . . . . . . . 134 ILE HG2 . 50283 2 82 . 1 . 1 22 22 ILE HG22 H 1 0.9695021 . . . . . . . . 134 ILE HG2 . 50283 2 83 . 1 . 1 22 22 ILE HG23 H 1 0.9695021 . . . . . . . . 134 ILE HG2 . 50283 2 84 . 1 . 1 22 22 ILE HD11 H 1 0.7799303 . . . . . . . . 134 ILE HD1 . 50283 2 85 . 1 . 1 22 22 ILE HD12 H 1 0.7799303 . . . . . . . . 134 ILE HD1 . 50283 2 86 . 1 . 1 22 22 ILE HD13 H 1 0.7799303 . . . . . . . . 134 ILE HD1 . 50283 2 87 . 1 . 1 22 22 ILE CG2 C 13 18.4550800 . . . . . . . . 134 ILE CG2 . 50283 2 88 . 1 . 1 22 22 ILE CD1 C 13 14.4022500 . . . . . . . . 134 ILE CD1 . 50283 2 89 . 1 . 1 23 23 LEU HD11 H 1 0.7916446 . . . . . . . . 135 LEU HD1 . 50283 2 90 . 1 . 1 23 23 LEU HD12 H 1 0.7916446 . . . . . . . . 135 LEU HD1 . 50283 2 91 . 1 . 1 23 23 LEU HD13 H 1 0.7916446 . . . . . . . . 135 LEU HD1 . 50283 2 92 . 1 . 1 23 23 LEU HD21 H 1 0.8653741 . . . . . . . . 135 LEU HD2 . 50283 2 93 . 1 . 1 23 23 LEU HD22 H 1 0.8653741 . . . . . . . . 135 LEU HD2 . 50283 2 94 . 1 . 1 23 23 LEU HD23 H 1 0.8653741 . . . . . . . . 135 LEU HD2 . 50283 2 95 . 1 . 1 23 23 LEU CD1 C 13 24.7675100 . . . . . . . . 135 LEU CD1 . 50283 2 96 . 1 . 1 23 23 LEU CD2 C 13 23.7674000 . . . . . . . . 135 LEU CD2 . 50283 2 97 . 1 . 1 25 25 THR HG21 H 1 0.9520733 . . . . . . . . 137 THR HG2 . 50283 2 98 . 1 . 1 25 25 THR HG22 H 1 0.9520733 . . . . . . . . 137 THR HG2 . 50283 2 99 . 1 . 1 25 25 THR HG23 H 1 0.9520733 . . . . . . . . 137 THR HG2 . 50283 2 100 . 1 . 1 25 25 THR CG2 C 13 21.3129600 . . . . . . . . 137 THR CG2 . 50283 2 101 . 1 . 1 26 26 VAL HG11 H 1 1.0396720 . . . . . . . . 138 VAL HG1 . 50283 2 102 . 1 . 1 26 26 VAL HG12 H 1 1.0396720 . . . . . . . . 138 VAL HG1 . 50283 2 103 . 1 . 1 26 26 VAL HG13 H 1 1.0396720 . . . . . . . . 138 VAL HG1 . 50283 2 104 . 1 . 1 26 26 VAL HG21 H 1 1.2640800 . . . . . . . . 138 VAL HG2 . 50283 2 105 . 1 . 1 26 26 VAL HG22 H 1 1.2640800 . . . . . . . . 138 VAL HG2 . 50283 2 106 . 1 . 1 26 26 VAL HG23 H 1 1.2640800 . . . . . . . . 138 VAL HG2 . 50283 2 107 . 1 . 1 26 26 VAL CG1 C 13 23.8817300 . . . . . . . . 138 VAL CG1 . 50283 2 108 . 1 . 1 26 26 VAL CG2 C 13 24.2197500 . . . . . . . . 138 VAL CG2 . 50283 2 109 . 1 . 1 30 30 ALA HB1 H 1 0.5688312 . . . . . . . . 142 ALA HB . 50283 2 110 . 1 . 1 30 30 ALA HB2 H 1 0.5688312 . . . . . . . . 142 ALA HB . 50283 2 111 . 1 . 1 30 30 ALA HB3 H 1 0.5688312 . . . . . . . . 142 ALA HB . 50283 2 112 . 1 . 1 30 30 ALA CB C 13 19.9972500 . . . . . . . . 142 ALA CB . 50283 2 113 . 1 . 1 33 33 ILE HG21 H 1 0.5373672 . . . . . . . . 145 ILE HG2 . 50283 2 114 . 1 . 1 33 33 ILE HG22 H 1 0.5373672 . . . . . . . . 145 ILE HG2 . 50283 2 115 . 1 . 1 33 33 ILE HG23 H 1 0.5373672 . . . . . . . . 145 ILE HG2 . 50283 2 116 . 1 . 1 33 33 ILE HD11 H 1 -0.0460345 . . . . . . . . 145 ILE HD1 . 50283 2 117 . 1 . 1 33 33 ILE HD12 H 1 -0.0460345 . . . . . . . . 145 ILE HD1 . 50283 2 118 . 1 . 1 33 33 ILE HD13 H 1 -0.0460345 . . . . . . . . 145 ILE HD1 . 50283 2 119 . 1 . 1 33 33 ILE CG2 C 13 15.1278000 . . . . . . . . 145 ILE CG2 . 50283 2 120 . 1 . 1 33 33 ILE CD1 C 13 13.3110600 . . . . . . . . 145 ILE CD1 . 50283 2 121 . 1 . 1 34 34 ALA HB1 H 1 0.6558717 . . . . . . . . 146 ALA HB . 50283 2 122 . 1 . 1 34 34 ALA HB2 H 1 0.6558717 . . . . . . . . 146 ALA HB . 50283 2 123 . 1 . 1 34 34 ALA HB3 H 1 0.6558717 . . . . . . . . 146 ALA HB . 50283 2 124 . 1 . 1 34 34 ALA CB C 13 21.4631800 . . . . . . . . 146 ALA CB . 50283 2 125 . 1 . 1 35 35 LEU HD11 H 1 0.6166753 . . . . . . . . 147 LEU HD1 . 50283 2 126 . 1 . 1 35 35 LEU HD12 H 1 0.6166753 . . . . . . . . 147 LEU HD1 . 50283 2 127 . 1 . 1 35 35 LEU HD13 H 1 0.6166753 . . . . . . . . 147 LEU HD1 . 50283 2 128 . 1 . 1 35 35 LEU HD21 H 1 0.6968152 . . . . . . . . 147 LEU HD2 . 50283 2 129 . 1 . 1 35 35 LEU HD22 H 1 0.6968152 . . . . . . . . 147 LEU HD2 . 50283 2 130 . 1 . 1 35 35 LEU HD23 H 1 0.6968152 . . . . . . . . 147 LEU HD2 . 50283 2 131 . 1 . 1 35 35 LEU CD1 C 13 23.6860400 . . . . . . . . 147 LEU CD1 . 50283 2 132 . 1 . 1 35 35 LEU CD2 C 13 24.9980600 . . . . . . . . 147 LEU CD2 . 50283 2 133 . 1 . 1 43 43 VAL HG11 H 1 0.7097891 . . . . . . . . 155 VAL HG1 . 50283 2 134 . 1 . 1 43 43 VAL HG12 H 1 0.7097891 . . . . . . . . 155 VAL HG1 . 50283 2 135 . 1 . 1 43 43 VAL HG13 H 1 0.7097891 . . . . . . . . 155 VAL HG1 . 50283 2 136 . 1 . 1 43 43 VAL HG21 H 1 1.1119490 . . . . . . . . 155 VAL HG2 . 50283 2 137 . 1 . 1 43 43 VAL HG22 H 1 1.1119490 . . . . . . . . 155 VAL HG2 . 50283 2 138 . 1 . 1 43 43 VAL HG23 H 1 1.1119490 . . . . . . . . 155 VAL HG2 . 50283 2 139 . 1 . 1 43 43 VAL CG1 C 13 19.8137900 . . . . . . . . 155 VAL CG1 . 50283 2 140 . 1 . 1 43 43 VAL CG2 C 13 22.3837900 . . . . . . . . 155 VAL CG2 . 50283 2 141 . 1 . 1 44 44 ALA HB1 H 1 1.5180680 . . . . . . . . 156 ALA HB . 50283 2 142 . 1 . 1 44 44 ALA HB2 H 1 1.5180680 . . . . . . . . 156 ALA HB . 50283 2 143 . 1 . 1 44 44 ALA HB3 H 1 1.5180680 . . . . . . . . 156 ALA HB . 50283 2 144 . 1 . 1 44 44 ALA CB C 13 19.1196500 . . . . . . . . 156 ALA CB . 50283 2 145 . 1 . 1 58 58 VAL HG11 H 1 0.7034513 . . . . . . . . 170 VAL HG1 . 50283 2 146 . 1 . 1 58 58 VAL HG12 H 1 0.7034513 . . . . . . . . 170 VAL HG1 . 50283 2 147 . 1 . 1 58 58 VAL HG13 H 1 0.7034513 . . . . . . . . 170 VAL HG1 . 50283 2 148 . 1 . 1 58 58 VAL HG21 H 1 0.8443906 . . . . . . . . 170 VAL HG2 . 50283 2 149 . 1 . 1 58 58 VAL HG22 H 1 0.8443906 . . . . . . . . 170 VAL HG2 . 50283 2 150 . 1 . 1 58 58 VAL HG23 H 1 0.8443906 . . . . . . . . 170 VAL HG2 . 50283 2 151 . 1 . 1 58 58 VAL CG1 C 13 18.9671400 . . . . . . . . 170 VAL CG1 . 50283 2 152 . 1 . 1 58 58 VAL CG2 C 13 20.8116100 . . . . . . . . 170 VAL CG2 . 50283 2 153 . 1 . 1 59 59 ILE HG21 H 1 0.1045916 . . . . . . . . 171 ILE HG2 . 50283 2 154 . 1 . 1 59 59 ILE HG22 H 1 0.1045916 . . . . . . . . 171 ILE HG2 . 50283 2 155 . 1 . 1 59 59 ILE HG23 H 1 0.1045916 . . . . . . . . 171 ILE HG2 . 50283 2 156 . 1 . 1 59 59 ILE HD11 H 1 0.7928063 . . . . . . . . 171 ILE HD1 . 50283 2 157 . 1 . 1 59 59 ILE HD12 H 1 0.7928063 . . . . . . . . 171 ILE HD1 . 50283 2 158 . 1 . 1 59 59 ILE HD13 H 1 0.7928063 . . . . . . . . 171 ILE HD1 . 50283 2 159 . 1 . 1 59 59 ILE CG2 C 13 17.4194700 . . . . . . . . 171 ILE CG2 . 50283 2 160 . 1 . 1 59 59 ILE CD1 C 13 14.7698200 . . . . . . . . 171 ILE CD1 . 50283 2 161 . 1 . 1 60 60 VAL HG11 H 1 0.7124552 . . . . . . . . 172 VAL HG1 . 50283 2 162 . 1 . 1 60 60 VAL HG12 H 1 0.7124552 . . . . . . . . 172 VAL HG1 . 50283 2 163 . 1 . 1 60 60 VAL HG13 H 1 0.7124552 . . . . . . . . 172 VAL HG1 . 50283 2 164 . 1 . 1 60 60 VAL HG21 H 1 0.8029555 . . . . . . . . 172 VAL HG2 . 50283 2 165 . 1 . 1 60 60 VAL HG22 H 1 0.8029555 . . . . . . . . 172 VAL HG2 . 50283 2 166 . 1 . 1 60 60 VAL HG23 H 1 0.8029555 . . . . . . . . 172 VAL HG2 . 50283 2 167 . 1 . 1 60 60 VAL CG1 C 13 20.9911200 . . . . . . . . 172 VAL CG1 . 50283 2 168 . 1 . 1 60 60 VAL CG2 C 13 21.4770400 . . . . . . . . 172 VAL CG2 . 50283 2 169 . 1 . 1 63 63 THR HG21 H 1 1.4404620 . . . . . . . . 175 THR HG2 . 50283 2 170 . 1 . 1 63 63 THR HG22 H 1 1.4404620 . . . . . . . . 175 THR HG2 . 50283 2 171 . 1 . 1 63 63 THR HG23 H 1 1.4404620 . . . . . . . . 175 THR HG2 . 50283 2 172 . 1 . 1 63 63 THR CG2 C 13 21.1534100 . . . . . . . . 175 THR CG2 . 50283 2 173 . 1 . 1 65 65 LEU HD11 H 1 0.6842209 . . . . . . . . 177 LEU HD1 . 50283 2 174 . 1 . 1 65 65 LEU HD12 H 1 0.6842209 . . . . . . . . 177 LEU HD1 . 50283 2 175 . 1 . 1 65 65 LEU HD13 H 1 0.6842209 . . . . . . . . 177 LEU HD1 . 50283 2 176 . 1 . 1 65 65 LEU HD21 H 1 0.7801568 . . . . . . . . 177 LEU HD2 . 50283 2 177 . 1 . 1 65 65 LEU HD22 H 1 0.7801568 . . . . . . . . 177 LEU HD2 . 50283 2 178 . 1 . 1 65 65 LEU HD23 H 1 0.7801568 . . . . . . . . 177 LEU HD2 . 50283 2 179 . 1 . 1 65 65 LEU CD1 C 13 22.8390400 . . . . . . . . 177 LEU CD1 . 50283 2 180 . 1 . 1 65 65 LEU CD2 C 13 24.6780500 . . . . . . . . 177 LEU CD2 . 50283 2 181 . 1 . 1 77 77 VAL HG11 H 1 0.7947489 . . . . . . . . 189 VAL HG1 . 50283 2 182 . 1 . 1 77 77 VAL HG12 H 1 0.7947489 . . . . . . . . 189 VAL HG1 . 50283 2 183 . 1 . 1 77 77 VAL HG13 H 1 0.7947489 . . . . . . . . 189 VAL HG1 . 50283 2 184 . 1 . 1 77 77 VAL HG21 H 1 0.9911709 . . . . . . . . 189 VAL HG2 . 50283 2 185 . 1 . 1 77 77 VAL HG22 H 1 0.9911709 . . . . . . . . 189 VAL HG2 . 50283 2 186 . 1 . 1 77 77 VAL HG23 H 1 0.9911709 . . . . . . . . 189 VAL HG2 . 50283 2 187 . 1 . 1 77 77 VAL CG1 C 13 20.8453000 . . . . . . . . 189 VAL CG1 . 50283 2 188 . 1 . 1 77 77 VAL CG2 C 13 21.1174600 . . . . . . . . 189 VAL CG2 . 50283 2 189 . 1 . 1 88 88 ILE HG21 H 1 0.6097631 . . . . . . . . 200 ILE HG2 . 50283 2 190 . 1 . 1 88 88 ILE HG22 H 1 0.6097631 . . . . . . . . 200 ILE HG2 . 50283 2 191 . 1 . 1 88 88 ILE HG23 H 1 0.6097631 . . . . . . . . 200 ILE HG2 . 50283 2 192 . 1 . 1 88 88 ILE HD11 H 1 0.6870033 . . . . . . . . 200 ILE HD1 . 50283 2 193 . 1 . 1 88 88 ILE HD12 H 1 0.6870033 . . . . . . . . 200 ILE HD1 . 50283 2 194 . 1 . 1 88 88 ILE HD13 H 1 0.6870033 . . . . . . . . 200 ILE HD1 . 50283 2 195 . 1 . 1 88 88 ILE CG2 C 13 17.0667600 . . . . . . . . 200 ILE CG2 . 50283 2 196 . 1 . 1 88 88 ILE CD1 C 13 13.9092700 . . . . . . . . 200 ILE CD1 . 50283 2 197 . 1 . 1 90 90 VAL HG11 H 1 0.8024028 . . . . . . . . 202 VAL HG1 . 50283 2 198 . 1 . 1 90 90 VAL HG12 H 1 0.8024028 . . . . . . . . 202 VAL HG1 . 50283 2 199 . 1 . 1 90 90 VAL HG13 H 1 0.8024028 . . . . . . . . 202 VAL HG1 . 50283 2 200 . 1 . 1 90 90 VAL HG21 H 1 1.0361890 . . . . . . . . 202 VAL HG2 . 50283 2 201 . 1 . 1 90 90 VAL HG22 H 1 1.0361890 . . . . . . . . 202 VAL HG2 . 50283 2 202 . 1 . 1 90 90 VAL HG23 H 1 1.0361890 . . . . . . . . 202 VAL HG2 . 50283 2 203 . 1 . 1 90 90 VAL CG1 C 13 19.6028100 . . . . . . . . 202 VAL CG1 . 50283 2 204 . 1 . 1 90 90 VAL CG2 C 13 21.6457300 . . . . . . . . 202 VAL CG2 . 50283 2 205 . 1 . 1 91 91 LEU HD11 H 1 0.8415296 . . . . . . . . 203 LEU HD1 . 50283 2 206 . 1 . 1 91 91 LEU HD12 H 1 0.8415296 . . . . . . . . 203 LEU HD1 . 50283 2 207 . 1 . 1 91 91 LEU HD13 H 1 0.8415296 . . . . . . . . 203 LEU HD1 . 50283 2 208 . 1 . 1 91 91 LEU HD21 H 1 0.8562560 . . . . . . . . 203 LEU HD2 . 50283 2 209 . 1 . 1 91 91 LEU HD22 H 1 0.8562560 . . . . . . . . 203 LEU HD2 . 50283 2 210 . 1 . 1 91 91 LEU HD23 H 1 0.8562560 . . . . . . . . 203 LEU HD2 . 50283 2 211 . 1 . 1 91 91 LEU CD1 C 13 22.9102600 . . . . . . . . 203 LEU CD1 . 50283 2 212 . 1 . 1 91 91 LEU CD2 C 13 25.9573600 . . . . . . . . 203 LEU CD2 . 50283 2 213 . 1 . 1 92 92 VAL HG11 H 1 0.3812157 . . . . . . . . 204 VAL HG1 . 50283 2 214 . 1 . 1 92 92 VAL HG12 H 1 0.3812157 . . . . . . . . 204 VAL HG1 . 50283 2 215 . 1 . 1 92 92 VAL HG13 H 1 0.3812157 . . . . . . . . 204 VAL HG1 . 50283 2 216 . 1 . 1 92 92 VAL HG21 H 1 1.0126840 . . . . . . . . 204 VAL HG2 . 50283 2 217 . 1 . 1 92 92 VAL HG22 H 1 1.0126840 . . . . . . . . 204 VAL HG2 . 50283 2 218 . 1 . 1 92 92 VAL HG23 H 1 1.0126840 . . . . . . . . 204 VAL HG2 . 50283 2 219 . 1 . 1 92 92 VAL CG1 C 13 20.9662900 . . . . . . . . 204 VAL CG1 . 50283 2 220 . 1 . 1 92 92 VAL CG2 C 13 20.0750300 . . . . . . . . 204 VAL CG2 . 50283 2 221 . 1 . 1 99 99 VAL HG11 H 1 0.4158283 . . . . . . . . 211 VAL HG1 . 50283 2 222 . 1 . 1 99 99 VAL HG12 H 1 0.4158283 . . . . . . . . 211 VAL HG1 . 50283 2 223 . 1 . 1 99 99 VAL HG13 H 1 0.4158283 . . . . . . . . 211 VAL HG1 . 50283 2 224 . 1 . 1 99 99 VAL HG21 H 1 0.7702119 . . . . . . . . 211 VAL HG2 . 50283 2 225 . 1 . 1 99 99 VAL HG22 H 1 0.7702119 . . . . . . . . 211 VAL HG2 . 50283 2 226 . 1 . 1 99 99 VAL HG23 H 1 0.7702119 . . . . . . . . 211 VAL HG2 . 50283 2 227 . 1 . 1 99 99 VAL CG1 C 13 20.7487900 . . . . . . . . 211 VAL CG1 . 50283 2 228 . 1 . 1 99 99 VAL CG2 C 13 21.0224500 . . . . . . . . 211 VAL CG2 . 50283 2 229 . 1 . 1 100 100 ALA HB1 H 1 1.2627510 . . . . . . . . 212 ALA HB . 50283 2 230 . 1 . 1 100 100 ALA HB2 H 1 1.2627510 . . . . . . . . 212 ALA HB . 50283 2 231 . 1 . 1 100 100 ALA HB3 H 1 1.2627510 . . . . . . . . 212 ALA HB . 50283 2 232 . 1 . 1 100 100 ALA CB C 13 21.8336500 . . . . . . . . 212 ALA CB . 50283 2 233 . 1 . 1 101 101 VAL HG11 H 1 0.2815232 . . . . . . . . 213 VAL HG1 . 50283 2 234 . 1 . 1 101 101 VAL HG12 H 1 0.2815232 . . . . . . . . 213 VAL HG1 . 50283 2 235 . 1 . 1 101 101 VAL HG13 H 1 0.2815232 . . . . . . . . 213 VAL HG1 . 50283 2 236 . 1 . 1 101 101 VAL HG21 H 1 0.6980905 . . . . . . . . 213 VAL HG2 . 50283 2 237 . 1 . 1 101 101 VAL HG22 H 1 0.6980905 . . . . . . . . 213 VAL HG2 . 50283 2 238 . 1 . 1 101 101 VAL HG23 H 1 0.6980905 . . . . . . . . 213 VAL HG2 . 50283 2 239 . 1 . 1 101 101 VAL CG1 C 13 20.1635400 . . . . . . . . 213 VAL CG1 . 50283 2 240 . 1 . 1 101 101 VAL CG2 C 13 22.9467700 . . . . . . . . 213 VAL CG2 . 50283 2 241 . 1 . 1 104 104 ALA HB1 H 1 1.3383700 . . . . . . . . 216 ALA HB . 50283 2 242 . 1 . 1 104 104 ALA HB2 H 1 1.3383700 . . . . . . . . 216 ALA HB . 50283 2 243 . 1 . 1 104 104 ALA HB3 H 1 1.3383700 . . . . . . . . 216 ALA HB . 50283 2 244 . 1 . 1 104 104 ALA CB C 13 20.6652900 . . . . . . . . 216 ALA CB . 50283 2 245 . 1 . 1 106 106 LEU HD11 H 1 0.8102577 . . . . . . . . 218 LEU HD1 . 50283 2 246 . 1 . 1 106 106 LEU HD12 H 1 0.8102577 . . . . . . . . 218 LEU HD1 . 50283 2 247 . 1 . 1 106 106 LEU HD13 H 1 0.8102577 . . . . . . . . 218 LEU HD1 . 50283 2 248 . 1 . 1 106 106 LEU HD21 H 1 0.8243623 . . . . . . . . 218 LEU HD2 . 50283 2 249 . 1 . 1 106 106 LEU HD22 H 1 0.8243623 . . . . . . . . 218 LEU HD2 . 50283 2 250 . 1 . 1 106 106 LEU HD23 H 1 0.8243623 . . . . . . . . 218 LEU HD2 . 50283 2 251 . 1 . 1 106 106 LEU CD1 C 13 21.9107100 . . . . . . . . 218 LEU CD1 . 50283 2 252 . 1 . 1 106 106 LEU CD2 C 13 26.1101100 . . . . . . . . 218 LEU CD2 . 50283 2 253 . 1 . 1 107 107 LEU HD11 H 1 0.9319137 . . . . . . . . 219 LEU HD1 . 50283 2 254 . 1 . 1 107 107 LEU HD12 H 1 0.9319137 . . . . . . . . 219 LEU HD1 . 50283 2 255 . 1 . 1 107 107 LEU HD13 H 1 0.9319137 . . . . . . . . 219 LEU HD1 . 50283 2 256 . 1 . 1 107 107 LEU HD21 H 1 0.9597736 . . . . . . . . 219 LEU HD2 . 50283 2 257 . 1 . 1 107 107 LEU HD22 H 1 0.9597736 . . . . . . . . 219 LEU HD2 . 50283 2 258 . 1 . 1 107 107 LEU HD23 H 1 0.9597736 . . . . . . . . 219 LEU HD2 . 50283 2 259 . 1 . 1 107 107 LEU CD1 C 13 24.3367800 . . . . . . . . 219 LEU CD1 . 50283 2 260 . 1 . 1 107 107 LEU CD2 C 13 8.1807800 . . . . . . . . 219 LEU CD2 . 50283 2 261 . 1 . 1 113 113 VAL HG11 H 1 0.8078247 . . . . . . . . 225 VAL HG1 . 50283 2 262 . 1 . 1 113 113 VAL HG12 H 1 0.8078247 . . . . . . . . 225 VAL HG1 . 50283 2 263 . 1 . 1 113 113 VAL HG13 H 1 0.8078247 . . . . . . . . 225 VAL HG1 . 50283 2 264 . 1 . 1 113 113 VAL HG21 H 1 0.9883964 . . . . . . . . 225 VAL HG2 . 50283 2 265 . 1 . 1 113 113 VAL HG22 H 1 0.9883964 . . . . . . . . 225 VAL HG2 . 50283 2 266 . 1 . 1 113 113 VAL HG23 H 1 0.9883964 . . . . . . . . 225 VAL HG2 . 50283 2 267 . 1 . 1 113 113 VAL CG1 C 13 20.4503200 . . . . . . . . 225 VAL CG1 . 50283 2 268 . 1 . 1 113 113 VAL CG2 C 13 21.4735800 . . . . . . . . 225 VAL CG2 . 50283 2 269 . 1 . 1 116 116 LEU HD11 H 1 -0.2945375 . . . . . . . . 228 LEU HD1 . 50283 2 270 . 1 . 1 116 116 LEU HD12 H 1 -0.2945375 . . . . . . . . 228 LEU HD1 . 50283 2 271 . 1 . 1 116 116 LEU HD13 H 1 -0.2945375 . . . . . . . . 228 LEU HD1 . 50283 2 272 . 1 . 1 116 116 LEU HD21 H 1 0.2838736 . . . . . . . . 228 LEU HD2 . 50283 2 273 . 1 . 1 116 116 LEU HD22 H 1 0.2838736 . . . . . . . . 228 LEU HD2 . 50283 2 274 . 1 . 1 116 116 LEU HD23 H 1 0.2838736 . . . . . . . . 228 LEU HD2 . 50283 2 275 . 1 . 1 116 116 LEU CD1 C 13 19.5964100 . . . . . . . . 228 LEU CD1 . 50283 2 276 . 1 . 1 116 116 LEU CD2 C 13 23.8779500 . . . . . . . . 228 LEU CD2 . 50283 2 277 . 1 . 1 119 119 ILE HG21 H 1 1.0761740 . . . . . . . . 231 ILE HG2 . 50283 2 278 . 1 . 1 119 119 ILE HG22 H 1 1.0761740 . . . . . . . . 231 ILE HG2 . 50283 2 279 . 1 . 1 119 119 ILE HG23 H 1 1.0761740 . . . . . . . . 231 ILE HG2 . 50283 2 280 . 1 . 1 119 119 ILE HD11 H 1 0.8887918 . . . . . . . . 231 ILE HD1 . 50283 2 281 . 1 . 1 119 119 ILE HD12 H 1 0.8887918 . . . . . . . . 231 ILE HD1 . 50283 2 282 . 1 . 1 119 119 ILE HD13 H 1 0.8887918 . . . . . . . . 231 ILE HD1 . 50283 2 283 . 1 . 1 119 119 ILE CG2 C 13 18.8437000 . . . . . . . . 231 ILE CG2 . 50283 2 284 . 1 . 1 119 119 ILE CD1 C 13 14.6867800 . . . . . . . . 231 ILE CD1 . 50283 2 285 . 1 . 1 122 122 LEU HD11 H 1 -0.3784634 . . . . . . . . 234 LEU HD1 . 50283 2 286 . 1 . 1 122 122 LEU HD12 H 1 -0.3784634 . . . . . . . . 234 LEU HD1 . 50283 2 287 . 1 . 1 122 122 LEU HD13 H 1 -0.3784634 . . . . . . . . 234 LEU HD1 . 50283 2 288 . 1 . 1 122 122 LEU HD21 H 1 0.5366071 . . . . . . . . 234 LEU HD2 . 50283 2 289 . 1 . 1 122 122 LEU HD22 H 1 0.5366071 . . . . . . . . 234 LEU HD2 . 50283 2 290 . 1 . 1 122 122 LEU HD23 H 1 0.5366071 . . . . . . . . 234 LEU HD2 . 50283 2 291 . 1 . 1 122 122 LEU CD1 C 13 21.6777200 . . . . . . . . 234 LEU CD1 . 50283 2 292 . 1 . 1 122 122 LEU CD2 C 13 26.3316600 . . . . . . . . 234 LEU CD2 . 50283 2 293 . 1 . 1 124 124 ILE HG21 H 1 0.8788126 . . . . . . . . 236 ILE HG2 . 50283 2 294 . 1 . 1 124 124 ILE HG22 H 1 0.8788126 . . . . . . . . 236 ILE HG2 . 50283 2 295 . 1 . 1 124 124 ILE HG23 H 1 0.8788126 . . . . . . . . 236 ILE HG2 . 50283 2 296 . 1 . 1 124 124 ILE HD11 H 1 0.8728719 . . . . . . . . 236 ILE HD1 . 50283 2 297 . 1 . 1 124 124 ILE HD12 H 1 0.8728719 . . . . . . . . 236 ILE HD1 . 50283 2 298 . 1 . 1 124 124 ILE HD13 H 1 0.8728719 . . . . . . . . 236 ILE HD1 . 50283 2 299 . 1 . 1 124 124 ILE CG2 C 13 18.2871900 . . . . . . . . 236 ILE CG2 . 50283 2 300 . 1 . 1 124 124 ILE CD1 C 13 15.5405800 . . . . . . . . 236 ILE CD1 . 50283 2 301 . 1 . 1 128 128 ILE HG21 H 1 0.7891977 . . . . . . . . 240 ILE HG2 . 50283 2 302 . 1 . 1 128 128 ILE HG22 H 1 0.7891977 . . . . . . . . 240 ILE HG2 . 50283 2 303 . 1 . 1 128 128 ILE HG23 H 1 0.7891977 . . . . . . . . 240 ILE HG2 . 50283 2 304 . 1 . 1 128 128 ILE HD11 H 1 0.6682023 . . . . . . . . 240 ILE HD1 . 50283 2 305 . 1 . 1 128 128 ILE HD12 H 1 0.6682023 . . . . . . . . 240 ILE HD1 . 50283 2 306 . 1 . 1 128 128 ILE HD13 H 1 0.6682023 . . . . . . . . 240 ILE HD1 . 50283 2 307 . 1 . 1 128 128 ILE CG2 C 13 19.3057200 . . . . . . . . 240 ILE CG2 . 50283 2 308 . 1 . 1 128 128 ILE CD1 C 13 13.8348200 . . . . . . . . 240 ILE CD1 . 50283 2 309 . 1 . 1 130 130 LEU HD11 H 1 0.4850317 . . . . . . . . 242 LEU HD1 . 50283 2 310 . 1 . 1 130 130 LEU HD12 H 1 0.4850317 . . . . . . . . 242 LEU HD1 . 50283 2 311 . 1 . 1 130 130 LEU HD13 H 1 0.4850317 . . . . . . . . 242 LEU HD1 . 50283 2 312 . 1 . 1 130 130 LEU HD21 H 1 0.8421842 . . . . . . . . 242 LEU HD2 . 50283 2 313 . 1 . 1 130 130 LEU HD22 H 1 0.8421842 . . . . . . . . 242 LEU HD2 . 50283 2 314 . 1 . 1 130 130 LEU HD23 H 1 0.8421842 . . . . . . . . 242 LEU HD2 . 50283 2 315 . 1 . 1 130 130 LEU CD1 C 13 27.1092100 . . . . . . . . 242 LEU CD1 . 50283 2 316 . 1 . 1 130 130 LEU CD2 C 13 26.4760300 . . . . . . . . 242 LEU CD2 . 50283 2 317 . 1 . 1 131 131 THR HG21 H 1 1.0724380 . . . . . . . . 243 THR HG2 . 50283 2 318 . 1 . 1 131 131 THR HG22 H 1 1.0724380 . . . . . . . . 243 THR HG2 . 50283 2 319 . 1 . 1 131 131 THR HG23 H 1 1.0724380 . . . . . . . . 243 THR HG2 . 50283 2 320 . 1 . 1 131 131 THR CG2 C 13 21.7838400 . . . . . . . . 243 THR CG2 . 50283 2 321 . 1 . 1 133 133 ALA HB1 H 1 1.1983860 . . . . . . . . 245 ALA HB . 50283 2 322 . 1 . 1 133 133 ALA HB2 H 1 1.1983860 . . . . . . . . 245 ALA HB . 50283 2 323 . 1 . 1 133 133 ALA HB3 H 1 1.1983860 . . . . . . . . 245 ALA HB . 50283 2 324 . 1 . 1 133 133 ALA CB C 13 21.3245800 . . . . . . . . 245 ALA CB . 50283 2 325 . 1 . 1 136 136 THR HG21 H 1 1.1282470 . . . . . . . . 248 THR HG2 . 50283 2 326 . 1 . 1 136 136 THR HG22 H 1 1.1282470 . . . . . . . . 248 THR HG2 . 50283 2 327 . 1 . 1 136 136 THR HG23 H 1 1.1282470 . . . . . . . . 248 THR HG2 . 50283 2 328 . 1 . 1 136 136 THR CG2 C 13 19.1181500 . . . . . . . . 248 THR CG2 . 50283 2 329 . 1 . 1 137 137 MET HE1 H 1 2.0481620 . . . . . . . . 249 MET HE . 50283 2 330 . 1 . 1 137 137 MET HE2 H 1 2.0481620 . . . . . . . . 249 MET HE . 50283 2 331 . 1 . 1 137 137 MET HE3 H 1 2.0481620 . . . . . . . . 249 MET HE . 50283 2 332 . 1 . 1 137 137 MET CE C 13 15.9355900 . . . . . . . . 249 MET CE . 50283 2 333 . 1 . 1 138 138 ILE HG21 H 1 0.8727566 . . . . . . . . 250 ILE HG2 . 50283 2 334 . 1 . 1 138 138 ILE HG22 H 1 0.8727566 . . . . . . . . 250 ILE HG2 . 50283 2 335 . 1 . 1 138 138 ILE HG23 H 1 0.8727566 . . . . . . . . 250 ILE HG2 . 50283 2 336 . 1 . 1 138 138 ILE HD11 H 1 0.8395961 . . . . . . . . 250 ILE HD1 . 50283 2 337 . 1 . 1 138 138 ILE HD12 H 1 0.8395961 . . . . . . . . 250 ILE HD1 . 50283 2 338 . 1 . 1 138 138 ILE HD13 H 1 0.8395961 . . . . . . . . 250 ILE HD1 . 50283 2 339 . 1 . 1 138 138 ILE CG2 C 13 19.1365400 . . . . . . . . 250 ILE CG2 . 50283 2 340 . 1 . 1 138 138 ILE CD1 C 13 14.5136500 . . . . . . . . 250 ILE CD1 . 50283 2 stop_ save_