################################### # 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 51898 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name N29P1_shift_list _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' . . . 51898 1 2 '3D HNCACB' . . . 51898 1 3 '3D CBCA(CO)NH' . . . 51898 1 4 '3D HNCO' . . . 51898 1 5 '3D HN(CA)CO' . . . 51898 1 6 '3D HNN' . . . 51898 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 . . 51898 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 1 1 CYS H H 1 8.520 0.002 . . . . . . . 1121 C HN . 51898 1 2 . 1 . 1 1 1 CYS C C 13 174.923 0.012 . . . . . . . 1121 C C . 51898 1 3 . 1 . 1 1 1 CYS CA C 13 55.728 0.011 . . . . . . . 1121 C CA . 51898 1 4 . 1 . 1 1 1 CYS CB C 13 41.084 0.005 . . . . . . . 1121 C CB . 51898 1 5 . 1 . 1 1 1 CYS N N 15 120.219 0.029 . . . . . . . 1121 C N . 51898 1 6 . 1 . 1 2 2 THR H H 1 8.280 0.002 . . . . . . . 1122 T HN . 51898 1 7 . 1 . 1 2 2 THR C C 13 174.360 0.009 . . . . . . . 1122 T C . 51898 1 8 . 1 . 1 2 2 THR CA C 13 62.050 0.063 . . . . . . . 1122 T CA . 51898 1 9 . 1 . 1 2 2 THR CB C 13 69.787 0.047 . . . . . . . 1122 T CB . 51898 1 10 . 1 . 1 2 2 THR N N 15 116.827 0.027 . . . . . . . 1122 T N . 51898 1 11 . 1 . 1 3 3 ARG H H 1 8.349 0.008 . . . . . . . 1123 R HN . 51898 1 12 . 1 . 1 3 3 ARG C C 13 176.307 0.009 . . . . . . . 1123 R C . 51898 1 13 . 1 . 1 3 3 ARG CA C 13 56.353 0.022 . . . . . . . 1123 R CA . 51898 1 14 . 1 . 1 3 3 ARG CB C 13 30.885 0.000 . . . . . . . 1123 R CB . 51898 1 15 . 1 . 1 3 3 ARG N N 15 123.865 0.065 . . . . . . . 1123 R N . 51898 1 16 . 1 . 1 4 4 ARG H H 1 8.442 0.001 . . . . . . . 1124 R HN . 51898 1 17 . 1 . 1 4 4 ARG C C 13 176.561 0.025 . . . . . . . 1124 R C . 51898 1 18 . 1 . 1 4 4 ARG CA C 13 56.341 0.016 . . . . . . . 1124 R CA . 51898 1 19 . 1 . 1 4 4 ARG CB C 13 30.850 0.032 . . . . . . . 1124 R CB . 51898 1 20 . 1 . 1 4 4 ARG N N 15 122.745 0.058 . . . . . . . 1124 R N . 51898 1 21 . 1 . 1 5 5 SER H H 1 8.450 0.003 . . . . . . . 1125 S HN . 51898 1 22 . 1 . 1 5 5 SER C C 13 174.984 0.000 . . . . . . . 1125 S C . 51898 1 23 . 1 . 1 5 5 SER CA C 13 58.508 0.000 . . . . . . . 1125 S CA . 51898 1 24 . 1 . 1 5 5 SER CB C 13 63.916 0.027 . . . . . . . 1125 S CB . 51898 1 25 . 1 . 1 5 5 SER N N 15 117.472 0.029 . . . . . . . 1125 S N . 51898 1 26 . 1 . 1 6 6 SER H H 1 8.493 0.005 . . . . . . . 1126 S HN . 51898 1 27 . 1 . 1 6 6 SER C C 13 174.871 0.060 . . . . . . . 1126 S C . 51898 1 28 . 1 . 1 6 6 SER CA C 13 58.808 0.020 . . . . . . . 1126 S CA . 51898 1 29 . 1 . 1 6 6 SER CB C 13 63.731 0.019 . . . . . . . 1126 S CB . 51898 1 30 . 1 . 1 6 6 SER N N 15 118.426 0.047 . . . . . . . 1126 S N . 51898 1 31 . 1 . 1 7 7 ALA H H 1 8.345 0.003 . . . . . . . 1127 A HN . 51898 1 32 . 1 . 1 7 7 ALA C C 13 178.255 0.006 . . . . . . . 1127 A C . 51898 1 33 . 1 . 1 7 7 ALA CA C 13 53.313 0.024 . . . . . . . 1127 A CA . 51898 1 34 . 1 . 1 7 7 ALA CB C 13 19.156 0.056 . . . . . . . 1127 A CB . 51898 1 35 . 1 . 1 7 7 ALA N N 15 125.624 0.099 . . . . . . . 1127 A N . 51898 1 36 . 1 . 1 8 8 GLN H H 1 8.215 0.004 . . . . . . . 1128 Q HN . 51898 1 37 . 1 . 1 8 8 GLN C C 13 176.479 0.000 . . . . . . . 1128 Q C . 51898 1 38 . 1 . 1 8 8 GLN CA C 13 56.513 0.000 . . . . . . . 1128 Q CA . 51898 1 39 . 1 . 1 8 8 GLN CB C 13 29.332 0.000 . . . . . . . 1128 Q CB . 51898 1 40 . 1 . 1 8 8 GLN N N 15 118.618 0.050 . . . . . . . 1128 Q N . 51898 1 41 . 1 . 1 9 9 GLN H H 1 8.245 0.002 . . . . . . . 1129 Q HN . 51898 1 42 . 1 . 1 9 9 GLN C C 13 176.302 0.000 . . . . . . . 1129 Q C . 51898 1 43 . 1 . 1 9 9 GLN CA C 13 56.506 0.000 . . . . . . . 1129 Q CA . 51898 1 44 . 1 . 1 9 9 GLN CB C 13 29.357 0.000 . . . . . . . 1129 Q CB . 51898 1 45 . 1 . 1 9 9 GLN N N 15 121.021 0.058 . . . . . . . 1129 Q N . 51898 1 46 . 1 . 1 10 10 ARG C C 13 176.490 0.000 . . . . . . . 1130 R C . 51898 1 47 . 1 . 1 10 10 ARG CA C 13 56.625 0.000 . . . . . . . 1130 R CA . 51898 1 48 . 1 . 1 10 10 ARG CB C 13 30.785 0.000 . . . . . . . 1130 R CB . 51898 1 49 . 1 . 1 11 11 LYS H H 1 8.263 0.004 . . . . . . . 1131 K HN . 51898 1 50 . 1 . 1 11 11 LYS C C 13 176.665 0.009 . . . . . . . 1131 K C . 51898 1 51 . 1 . 1 11 11 LYS CA C 13 56.612 0.002 . . . . . . . 1131 K CA . 51898 1 52 . 1 . 1 11 11 LYS CB C 13 33.045 0.049 . . . . . . . 1131 K CB . 51898 1 53 . 1 . 1 11 11 LYS N N 15 122.511 0.109 . . . . . . . 1131 K N . 51898 1 54 . 1 . 1 12 12 LYS H H 1 8.297 0.003 . . . . . . . 1132 K HN . 51898 1 55 . 1 . 1 12 12 LYS C C 13 176.601 0.011 . . . . . . . 1132 K C . 51898 1 56 . 1 . 1 12 12 LYS CA C 13 56.561 0.039 . . . . . . . 1132 K CA . 51898 1 57 . 1 . 1 12 12 LYS CB C 13 33.057 0.052 . . . . . . . 1132 K CB . 51898 1 58 . 1 . 1 12 12 LYS N N 15 122.996 0.038 . . . . . . . 1132 K N . 51898 1 59 . 1 . 1 13 13 ARG H H 1 8.368 0.002 . . . . . . . 1133 R HN . 51898 1 60 . 1 . 1 13 13 ARG C C 13 176.082 0.013 . . . . . . . 1133 R C . 51898 1 61 . 1 . 1 13 13 ARG CA C 13 56.204 0.060 . . . . . . . 1133 R CA . 51898 1 62 . 1 . 1 13 13 ARG CB C 13 30.910 0.005 . . . . . . . 1133 R CB . 51898 1 63 . 1 . 1 13 13 ARG N N 15 122.871 0.061 . . . . . . . 1133 R N . 51898 1 64 . 1 . 1 14 14 ALA H H 1 8.410 0.003 . . . . . . . 1134 A HN . 51898 1 65 . 1 . 1 14 14 ALA C C 13 177.853 0.011 . . . . . . . 1134 A C . 51898 1 66 . 1 . 1 14 14 ALA CA C 13 52.557 0.095 . . . . . . . 1134 A CA . 51898 1 67 . 1 . 1 14 14 ALA CB C 13 19.462 0.054 . . . . . . . 1134 A CB . 51898 1 68 . 1 . 1 14 14 ALA N N 15 125.787 0.069 . . . . . . . 1134 A N . 51898 1 69 . 1 . 1 15 15 THR H H 1 8.164 0.002 . . . . . . . 1135 T HN . 51898 1 70 . 1 . 1 15 15 THR C C 13 174.511 0.022 . . . . . . . 1135 T C . 51898 1 71 . 1 . 1 15 15 THR CA C 13 61.854 0.010 . . . . . . . 1135 T CA . 51898 1 72 . 1 . 1 15 15 THR CB C 13 69.793 0.014 . . . . . . . 1135 T CB . 51898 1 73 . 1 . 1 15 15 THR N N 15 113.655 0.044 . . . . . . . 1135 T N . 51898 1 74 . 1 . 1 16 16 HIS H H 1 8.496 0.007 . . . . . . . 1136 H HN . 51898 1 75 . 1 . 1 16 16 HIS C C 13 174.884 0.050 . . . . . . . 1136 H C . 51898 1 76 . 1 . 1 16 16 HIS CA C 13 55.788 0.008 . . . . . . . 1136 H CA . 51898 1 77 . 1 . 1 16 16 HIS CB C 13 29.861 0.003 . . . . . . . 1136 H CB . 51898 1 78 . 1 . 1 16 16 HIS N N 15 121.212 0.020 . . . . . . . 1136 H N . 51898 1 79 . 1 . 1 17 17 SER H H 1 8.499 0.000 . . . . . . . 1137 S HN . 51898 1 80 . 1 . 1 17 17 SER CA C 13 58.519 0.004 . . . . . . . 1137 S CA . 51898 1 81 . 1 . 1 17 17 SER CB C 13 63.717 0.000 . . . . . . . 1137 S CB . 51898 1 82 . 1 . 1 17 17 SER N N 15 117.804 0.058 . . . . . . . 1137 S N . 51898 1 83 . 1 . 1 18 18 ALA H H 1 8.472 0.002 . . . . . . . 1138 A HN . 51898 1 84 . 1 . 1 18 18 ALA C C 13 178.222 0.013 . . . . . . . 1138 A C . 51898 1 85 . 1 . 1 18 18 ALA CA C 13 52.876 0.000 . . . . . . . 1138 A CA . 51898 1 86 . 1 . 1 18 18 ALA CB C 13 19.396 0.000 . . . . . . . 1138 A CB . 51898 1 87 . 1 . 1 18 18 ALA N N 15 126.338 0.129 . . . . . . . 1138 A N . 51898 1 88 . 1 . 1 19 19 GLY H H 1 8.361 0.002 . . . . . . . 1139 G HN . 51898 1 89 . 1 . 1 19 19 GLY C C 13 174.148 0.008 . . . . . . . 1139 G C . 51898 1 90 . 1 . 1 19 19 GLY CA C 13 45.297 0.027 . . . . . . . 1139 G CA . 51898 1 91 . 1 . 1 19 19 GLY N N 15 108.085 0.043 . . . . . . . 1139 G N . 51898 1 92 . 1 . 1 20 20 LYS H H 1 8.154 0.002 . . . . . . . 1140 K HN . 51898 1 93 . 1 . 1 20 20 LYS C C 13 176.750 0.008 . . . . . . . 1140 K C . 51898 1 94 . 1 . 1 20 20 LYS CA C 13 56.325 0.007 . . . . . . . 1140 K CA . 51898 1 95 . 1 . 1 20 20 LYS CB C 13 33.108 0.046 . . . . . . . 1140 K CB . 51898 1 96 . 1 . 1 20 20 LYS N N 15 120.965 0.047 . . . . . . . 1140 K N . 51898 1 97 . 1 . 1 21 21 ARG H H 1 8.393 0.002 . . . . . . . 1141 R HN . 51898 1 98 . 1 . 1 21 21 ARG C C 13 176.387 0.006 . . . . . . . 1141 R C . 51898 1 99 . 1 . 1 21 21 ARG CA C 13 56.186 0.039 . . . . . . . 1141 R CA . 51898 1 100 . 1 . 1 21 21 ARG CB C 13 30.827 0.038 . . . . . . . 1141 R CB . 51898 1 101 . 1 . 1 21 21 ARG N N 15 122.586 0.053 . . . . . . . 1141 R N . 51898 1 102 . 1 . 1 22 22 LYS H H 1 8.454 0.002 . . . . . . . 1142 K HN . 51898 1 103 . 1 . 1 22 22 LYS C C 13 177.122 0.038 . . . . . . . 1142 K C . 51898 1 104 . 1 . 1 22 22 LYS CA C 13 56.480 0.000 . . . . . . . 1142 K CA . 51898 1 105 . 1 . 1 22 22 LYS CB C 13 33.041 0.000 . . . . . . . 1142 K CB . 51898 1 106 . 1 . 1 22 22 LYS N N 15 123.518 0.050 . . . . . . . 1142 K N . 51898 1 107 . 1 . 1 23 23 GLY H H 1 8.521 0.002 . . . . . . . 1143 G HN . 51898 1 108 . 1 . 1 23 23 GLY C C 13 174.237 0.022 . . . . . . . 1143 G C . 51898 1 109 . 1 . 1 23 23 GLY CA C 13 45.347 0.043 . . . . . . . 1143 G CA . 51898 1 110 . 1 . 1 23 23 GLY N N 15 110.599 0.080 . . . . . . . 1143 G N . 51898 1 111 . 1 . 1 24 24 SER H H 1 8.309 0.002 . . . . . . . 1144 S HN . 51898 1 112 . 1 . 1 24 24 SER C C 13 174.892 0.023 . . . . . . . 1144 S C . 51898 1 113 . 1 . 1 24 24 SER CA C 13 58.357 0.018 . . . . . . . 1144 S CA . 51898 1 114 . 1 . 1 24 24 SER CB C 13 63.999 0.024 . . . . . . . 1144 S CB . 51898 1 115 . 1 . 1 24 24 SER N N 15 115.742 0.027 . . . . . . . 1144 S N . 51898 1 116 . 1 . 1 25 25 GLN H H 1 8.530 0.001 . . . . . . . 1145 Q HN . 51898 1 117 . 1 . 1 25 25 GLN C C 13 176.180 0.000 . . . . . . . 1145 Q C . 51898 1 118 . 1 . 1 25 25 GLN CA C 13 56.319 0.012 . . . . . . . 1145 Q CA . 51898 1 119 . 1 . 1 25 25 GLN CB C 13 29.324 0.055 . . . . . . . 1145 Q CB . 51898 1 120 . 1 . 1 25 25 GLN N N 15 122.501 0.045 . . . . . . . 1145 Q N . 51898 1 121 . 1 . 1 26 26 LYS H H 1 8.281 0.004 . . . . . . . 1146 K HN . 51898 1 122 . 1 . 1 26 26 LYS C C 13 176.198 0.009 . . . . . . . 1146 K C . 51898 1 123 . 1 . 1 26 26 LYS CA C 13 56.702 0.022 . . . . . . . 1146 K CA . 51898 1 124 . 1 . 1 26 26 LYS CB C 13 33.025 0.043 . . . . . . . 1146 K CB . 51898 1 125 . 1 . 1 26 26 LYS N N 15 121.995 0.032 . . . . . . . 1146 K N . 51898 1 126 . 1 . 1 27 27 ASP H H 1 8.243 0.002 . . . . . . . 1147 D HN . 51898 1 127 . 1 . 1 27 27 ASP C C 13 175.897 0.008 . . . . . . . 1147 D C . 51898 1 128 . 1 . 1 27 27 ASP CA C 13 54.363 0.040 . . . . . . . 1147 D CA . 51898 1 129 . 1 . 1 27 27 ASP CB C 13 41.114 0.017 . . . . . . . 1147 D CB . 51898 1 130 . 1 . 1 27 27 ASP N N 15 120.831 0.055 . . . . . . . 1147 D N . 51898 1 131 . 1 . 1 28 28 LEU H H 1 8.084 0.002 . . . . . . . 1148 L HN . 51898 1 132 . 1 . 1 28 28 LEU C C 13 177.076 0.017 . . . . . . . 1148 L C . 51898 1 133 . 1 . 1 28 28 LEU CA C 13 55.155 0.068 . . . . . . . 1148 L CA . 51898 1 134 . 1 . 1 28 28 LEU CB C 13 42.337 0.030 . . . . . . . 1148 L CB . 51898 1 135 . 1 . 1 28 28 LEU N N 15 122.603 0.042 . . . . . . . 1148 L N . 51898 1 136 . 1 . 1 29 29 ARG H H 1 8.252 0.005 . . . . . . . 1149 R HN . 51898 1 137 . 1 . 1 29 29 ARG C C 13 173.729 0.000 . . . . . . . 1149 R C . 51898 1 138 . 1 . 1 29 29 ARG CA C 13 53.974 0.000 . . . . . . . 1149 R CA . 51898 1 139 . 1 . 1 29 29 ARG CB C 13 30.328 0.000 . . . . . . . 1149 R CB . 51898 1 140 . 1 . 1 29 29 ARG N N 15 123.006 0.053 . . . . . . . 1149 R N . 51898 1 141 . 1 . 1 31 31 PRO C C 13 176.771 0.000 . . . . . . . 1151 P C . 51898 1 142 . 1 . 1 31 31 PRO CA C 13 63.315 0.000 . . . . . . . 1151 P CA . 51898 1 143 . 1 . 1 31 31 PRO CB C 13 31.981 0.000 . . . . . . . 1151 P CB . 51898 1 144 . 1 . 1 32 32 ASP H H 1 8.286 0.005 . . . . . . . 1152 D HN . 51898 1 145 . 1 . 1 32 32 ASP C C 13 176.294 0.009 . . . . . . . 1152 D C . 51898 1 146 . 1 . 1 32 32 ASP CA C 13 54.557 0.020 . . . . . . . 1152 D CA . 51898 1 147 . 1 . 1 32 32 ASP CB C 13 40.912 0.062 . . . . . . . 1152 D CB . 51898 1 148 . 1 . 1 32 32 ASP N N 15 119.228 0.064 . . . . . . . 1152 D N . 51898 1 149 . 1 . 1 33 33 LEU H H 1 7.944 0.002 . . . . . . . 1153 L HN . 51898 1 150 . 1 . 1 33 33 LEU C C 13 177.037 0.026 . . . . . . . 1153 L C . 51898 1 151 . 1 . 1 33 33 LEU CA C 13 55.510 0.005 . . . . . . . 1153 L CA . 51898 1 152 . 1 . 1 33 33 LEU CB C 13 42.366 0.035 . . . . . . . 1153 L CB . 51898 1 153 . 1 . 1 33 33 LEU N N 15 121.332 0.044 . . . . . . . 1153 L N . 51898 1 154 . 1 . 1 34 34 TRP H H 1 8.016 0.001 . . . . . . . 1154 W HN . 51898 1 155 . 1 . 1 34 34 TRP C C 13 175.988 0.000 . . . . . . . 1154 W C . 51898 1 156 . 1 . 1 34 34 TRP CA C 13 57.071 0.022 . . . . . . . 1154 W CA . 51898 1 157 . 1 . 1 34 34 TRP CB C 13 29.424 0.068 . . . . . . . 1154 W CB . 51898 1 158 . 1 . 1 34 34 TRP N N 15 120.951 0.053 . . . . . . . 1154 W N . 51898 1 159 . 1 . 1 35 35 ILE H H 1 7.763 0.003 . . . . . . . 1155 I HN . 51898 1 160 . 1 . 1 35 35 ILE C C 13 175.685 0.021 . . . . . . . 1155 I C . 51898 1 161 . 1 . 1 35 35 ILE CA C 13 61.211 0.023 . . . . . . . 1155 I CA . 51898 1 162 . 1 . 1 35 35 ILE CB C 13 38.675 0.069 . . . . . . . 1155 I CB . 51898 1 163 . 1 . 1 35 35 ILE N N 15 121.821 0.042 . . . . . . . 1155 I N . 51898 1 164 . 1 . 1 36 36 HIS H H 1 8.337 0.003 . . . . . . . 1156 H HN . 51898 1 165 . 1 . 1 36 36 HIS C C 13 174.509 0.019 . . . . . . . 1156 H C . 51898 1 166 . 1 . 1 36 36 HIS CA C 13 55.480 0.019 . . . . . . . 1156 H CA . 51898 1 167 . 1 . 1 36 36 HIS CB C 13 29.512 0.000 . . . . . . . 1156 H CB . 51898 1 168 . 1 . 1 36 36 HIS N N 15 122.324 0.027 . . . . . . . 1156 H N . 51898 1 169 . 1 . 1 37 37 HIS H H 1 8.476 0.006 . . . . . . . 1157 H HN . 51898 1 170 . 1 . 1 37 37 HIS C C 13 174.633 0.002 . . . . . . . 1157 H C . 51898 1 171 . 1 . 1 37 37 HIS CA C 13 56.124 0.004 . . . . . . . 1157 H CA . 51898 1 172 . 1 . 1 37 37 HIS CB C 13 29.526 0.025 . . . . . . . 1157 H CB . 51898 1 173 . 1 . 1 37 37 HIS N N 15 121.221 0.051 . . . . . . . 1157 H N . 51898 1 174 . 1 . 1 38 38 GLU H H 1 8.661 0.002 . . . . . . . 1158 E HN . 51898 1 175 . 1 . 1 38 38 GLU C C 13 176.580 0.013 . . . . . . . 1158 E C . 51898 1 176 . 1 . 1 38 38 GLU CA C 13 57.061 0.015 . . . . . . . 1158 E CA . 51898 1 177 . 1 . 1 38 38 GLU CB C 13 30.133 0.004 . . . . . . . 1158 E CB . 51898 1 178 . 1 . 1 38 38 GLU N N 15 122.360 0.041 . . . . . . . 1158 E N . 51898 1 179 . 1 . 1 39 39 GLU H H 1 8.526 0.003 . . . . . . . 1159 E HN . 51898 1 180 . 1 . 1 39 39 GLU C C 13 176.745 0.019 . . . . . . . 1159 E C . 51898 1 181 . 1 . 1 39 39 GLU CA C 13 56.993 0.000 . . . . . . . 1159 E CA . 51898 1 182 . 1 . 1 39 39 GLU CB C 13 30.061 0.054 . . . . . . . 1159 E CB . 51898 1 183 . 1 . 1 39 39 GLU N N 15 121.691 0.039 . . . . . . . 1159 E N . 51898 1 184 . 1 . 1 40 40 MET H H 1 8.269 0.002 . . . . . . . 1160 M HN . 51898 1 185 . 1 . 1 40 40 MET C C 13 176.305 0.002 . . . . . . . 1160 M C . 51898 1 186 . 1 . 1 40 40 MET CA C 13 55.815 0.003 . . . . . . . 1160 M CA . 51898 1 187 . 1 . 1 40 40 MET CB C 13 32.985 0.033 . . . . . . . 1160 M CB . 51898 1 188 . 1 . 1 40 40 MET N N 15 120.731 0.046 . . . . . . . 1160 M N . 51898 1 189 . 1 . 1 41 41 GLU H H 1 8.302 0.003 . . . . . . . 1161 E HN . 51898 1 190 . 1 . 1 41 41 GLU C C 13 176.514 0.020 . . . . . . . 1161 E C . 51898 1 191 . 1 . 1 41 41 GLU CA C 13 56.798 0.014 . . . . . . . 1161 E CA . 51898 1 192 . 1 . 1 41 41 GLU CB C 13 30.281 0.072 . . . . . . . 1161 E CB . 51898 1 193 . 1 . 1 41 41 GLU N N 15 121.713 0.034 . . . . . . . 1161 E N . 51898 1 194 . 1 . 1 42 42 MET H H 1 8.314 0.002 . . . . . . . 1162 M HN . 51898 1 195 . 1 . 1 42 42 MET C C 13 176.204 0.010 . . . . . . . 1162 M C . 51898 1 196 . 1 . 1 42 42 MET CA C 13 55.561 0.024 . . . . . . . 1162 M CA . 51898 1 197 . 1 . 1 42 42 MET CB C 13 32.700 0.082 . . . . . . . 1162 M CB . 51898 1 198 . 1 . 1 42 42 MET N N 15 121.518 0.039 . . . . . . . 1162 M N . 51898 1 199 . 1 . 1 43 43 LYS H H 1 8.231 0.002 . . . . . . . 1163 K HN . 51898 1 200 . 1 . 1 43 43 LYS C C 13 176.210 0.000 . . . . . . . 1163 K C . 51898 1 201 . 1 . 1 43 43 LYS CA C 13 56.515 0.081 . . . . . . . 1163 K CA . 51898 1 202 . 1 . 1 43 43 LYS CB C 13 33.129 0.000 . . . . . . . 1163 K CB . 51898 1 203 . 1 . 1 43 43 LYS N N 15 122.023 0.042 . . . . . . . 1163 K N . 51898 1 204 . 1 . 1 44 44 ASN H H 1 8.418 0.004 . . . . . . . 1164 N HN . 51898 1 205 . 1 . 1 44 44 ASN C C 13 174.925 0.011 . . . . . . . 1164 N C . 51898 1 206 . 1 . 1 44 44 ASN CA C 13 53.351 0.040 . . . . . . . 1164 N CA . 51898 1 207 . 1 . 1 44 44 ASN CB C 13 38.903 0.053 . . . . . . . 1164 N CB . 51898 1 208 . 1 . 1 44 44 ASN N N 15 119.681 0.059 . . . . . . . 1164 N N . 51898 1 209 . 1 . 1 45 45 ILE H H 1 8.003 0.002 . . . . . . . 1165 I HN . 51898 1 210 . 1 . 1 45 45 ILE C C 13 176.006 0.001 . . . . . . . 1165 I C . 51898 1 211 . 1 . 1 45 45 ILE CA C 13 61.181 0.041 . . . . . . . 1165 I CA . 51898 1 212 . 1 . 1 45 45 ILE CB C 13 38.847 0.019 . . . . . . . 1165 I CB . 51898 1 213 . 1 . 1 45 45 ILE N N 15 120.827 0.054 . . . . . . . 1165 I N . 51898 1 214 . 1 . 1 46 46 GLU H H 1 8.403 0.002 . . . . . . . 1166 E HN . 51898 1 215 . 1 . 1 46 46 GLU C C 13 175.340 0.012 . . . . . . . 1166 E C . 51898 1 216 . 1 . 1 46 46 GLU CA C 13 56.586 0.051 . . . . . . . 1166 E CA . 51898 1 217 . 1 . 1 46 46 GLU CB C 13 30.410 0.108 . . . . . . . 1166 E CB . 51898 1 218 . 1 . 1 46 46 GLU N N 15 125.585 0.040 . . . . . . . 1166 E N . 51898 1 219 . 1 . 1 47 47 LYS H H 1 7.928 0.002 . . . . . . . 1167 K HN . 51898 1 220 . 1 . 1 47 47 LYS C C 13 181.199 0.000 . . . . . . . 1167 K C . 51898 1 221 . 1 . 1 47 47 LYS CA C 13 57.734 0.000 . . . . . . . 1167 K CA . 51898 1 222 . 1 . 1 47 47 LYS CB C 13 33.862 0.000 . . . . . . . 1167 K CB . 51898 1 223 . 1 . 1 47 47 LYS N N 15 127.919 0.019 . . . . . . . 1167 K N . 51898 1 stop_ save_