################################### # 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_list_DsbB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_list_DsbB _Assigned_chem_shift_list.Entry_ID 18493 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_Adam _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 CC DARR' . . . 18493 1 2 '2D CC DARR' . . . 18493 1 3 '2D CC DARR' . . . 18493 1 4 '3D NCACX' . . . 18493 1 5 '3D NCOCX' . . . 18493 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 ASN C C 13 179.258 0.145 . 1 . . . . 6 ASN C 5 18493 1 2 . 1 1 6 6 ASN CA C 13 57.564 0.300 . 1 . . . . 6 ASN CA 1 18493 1 3 . 1 1 6 6 ASN CB C 13 38.167 0.300 . 1 . . . . 6 ASN CB 1 18493 1 4 . 1 1 7 7 GLN H H 1 9.338 0.026 . 1 . . . . 7 GLN HN 2 18493 1 5 . 1 1 7 7 GLN C C 13 180.404 0.092 . 1 . . . . 7 GLN C 5 18493 1 6 . 1 1 7 7 GLN CA C 13 57.611 0.012 . 1 . . . . 7 GLN CA 2 18493 1 7 . 1 1 7 7 GLN CB C 13 26.649 0.210 . 1 . . . . 7 GLN CB 3 18493 1 8 . 1 1 7 7 GLN CG C 13 31.228 0.300 . 1 . . . . 7 GLN CG 1 18493 1 9 . 1 1 7 7 GLN N N 15 120.525 0.189 . 1 . . . . 7 GLN N 7 18493 1 10 . 1 1 8 8 ALA H H 1 9.436 0.052 . 1 . . . . 8 ALA HN 2 18493 1 11 . 1 1 8 8 ALA C C 13 179.313 0.300 . 1 . . . . 8 ALA C 1 18493 1 12 . 1 1 8 8 ALA CA C 13 54.645 0.300 . 1 . . . . 8 ALA CA 1 18493 1 13 . 1 1 8 8 ALA CB C 13 17.967 0.300 . 1 . . . . 8 ALA CB 1 18493 1 14 . 1 1 8 8 ALA N N 15 123.894 0.176 . 1 . . . . 8 ALA N 6 18493 1 15 . 1 1 9 9 SER C C 13 173.894 0.126 . 1 . . . . 9 SER C 4 18493 1 16 . 1 1 9 9 SER CA C 13 60.565 0.137 . 1 . . . . 9 SER CA 5 18493 1 17 . 1 1 9 9 SER CB C 13 63.790 0.070 . 1 . . . . 9 SER CB 4 18493 1 18 . 1 1 10 10 GLN H H 1 7.835 0.300 . 1 . . . A 10 GLN HN 2 18493 1 19 . 1 1 10 10 GLN C C 13 174.766 0.300 . 1 . . . A 10 GLN C 1 18493 1 20 . 1 1 10 10 GLN CB C 13 29.955 0.300 . 1 . . . A 10 GLN CB 1 18493 1 21 . 1 1 10 10 GLN N N 15 119.198 0.200 . 1 . . . A 10 GLN N 5 18493 1 22 . 1 1 11 11 GLY H H 1 8.433 0.005 . 1 . . . A 11 GLY H 2 18493 1 23 . 1 1 11 11 GLY N N 15 108.456 0.067 . 1 . . . A 11 GLY N 2 18493 1 24 . 1 1 12 12 ARG C C 13 178.053 0.300 . 1 . . . A 12 ARG C 1 18493 1 25 . 1 1 12 12 ARG CA C 13 57.504 0.300 . 1 . . . A 12 ARG CA 1 18493 1 26 . 1 1 12 12 ARG CB C 13 30.522 0.300 . 1 . . . A 12 ARG CB 1 18493 1 27 . 1 1 12 12 ARG CD C 13 43.193 0.107 . 1 . . . A 12 ARG CD 3 18493 1 28 . 1 1 12 12 ARG CZ C 13 159.227 0.300 . 1 . . . A 12 ARG CZ 1 18493 1 29 . 1 1 13 13 GLY C C 13 175.091 0.300 . 1 . . . A 13 GLY C 1 18493 1 30 . 1 1 13 13 GLY CA C 13 45.326 0.300 . 1 . . . A 13 GLY CA 1 18493 1 31 . 1 1 13 13 GLY N N 15 108.265 0.300 . 1 . . . A 13 GLY N 1 18493 1 32 . 1 1 14 14 ALA H H 1 9.285 0.003 . 1 . . . A 14 ALA H 2 18493 1 33 . 1 1 14 14 ALA C C 13 179.173 0.300 . 1 . . . A 14 ALA C 1 18493 1 34 . 1 1 14 14 ALA CA C 13 55.061 0.040 . 1 . . . A 14 ALA CA 3 18493 1 35 . 1 1 14 14 ALA N N 15 123.181 0.019 . 1 . . . A 14 ALA N 2 18493 1 36 . 1 1 15 15 TRP H H 1 7.091 0.008 . 1 . . . A 15 TRP H 2 18493 1 37 . 1 1 15 15 TRP C C 13 179.425 0.300 . 1 . . . A 15 TRP C 1 18493 1 38 . 1 1 15 15 TRP CA C 13 58.960 0.074 . 1 . . . A 15 TRP CA 2 18493 1 39 . 1 1 15 15 TRP CB C 13 29.529 0.300 . 1 . . . A 15 TRP CB 3 18493 1 40 . 1 1 15 15 TRP N N 15 116.733 0.031 . 1 . . . A 15 TRP N 2 18493 1 41 . 1 1 16 16 LEU H H 1 9.180 0.050 . 1 . . . A 16 LEU H 3 18493 1 42 . 1 1 16 16 LEU C C 13 178.461 0.056 . 1 . . . A 16 LEU C 5 18493 1 43 . 1 1 16 16 LEU CA C 13 58.246 0.034 . 1 . . . A 16 LEU CA 3 18493 1 44 . 1 1 16 16 LEU CB C 13 41.369 0.319 . 1 . . . A 16 LEU CB 2 18493 1 45 . 1 1 16 16 LEU CG C 13 26.762 0.221 . 1 . . . A 16 LEU CG 2 18493 1 46 . 1 1 16 16 LEU CD1 C 13 22.647 0.300 . 2 . . . A 16 LEU CD1 1 18493 1 47 . 1 1 16 16 LEU CD2 C 13 22.647 0.300 . 2 . . . A 16 LEU CD2 1 18493 1 48 . 1 1 16 16 LEU N N 15 118.671 0.093 . 1 . . . A 16 LEU N 3 18493 1 49 . 1 1 17 17 LEU C C 13 178.787 0.311 . 1 . . . A 17 LEU C 11 18493 1 50 . 1 1 17 17 LEU CA C 13 57.832 0.146 . 1 . . . A 17 LEU CA 8 18493 1 51 . 1 1 17 17 LEU CB C 13 41.395 0.071 . 1 . . . A 17 LEU CB 3 18493 1 52 . 1 1 17 17 LEU CG C 13 27.110 0.142 . 1 . . . A 17 LEU CG 3 18493 1 53 . 1 1 17 17 LEU CD1 C 13 22.055 0.300 . 2 . . . A 17 LEU CD1 1 18493 1 54 . 1 1 17 17 LEU CD2 C 13 22.055 0.300 . 2 . . . A 17 LEU CD2 1 18493 1 55 . 1 1 17 17 LEU N N 15 118.515 0.048 . 1 . . . A 17 LEU N 11 18493 1 56 . 1 1 18 18 MET C C 13 180.469 0.190 . 1 . . . A 18 MET C 16 18493 1 57 . 1 1 18 18 MET CA C 13 60.277 0.110 . 1 . . . A 18 MET CA 18 18493 1 58 . 1 1 18 18 MET CB C 13 31.789 0.165 . 1 . . . A 18 MET CB 7 18493 1 59 . 1 1 18 18 MET CG C 13 33.392 0.223 . 1 . . . A 18 MET CG 10 18493 1 60 . 1 1 18 18 MET N N 15 120.633 0.312 . 1 . . . A 18 MET N 16 18493 1 61 . 1 1 19 19 ALA H H 1 9.398 0.009 . 1 . . . A 19 ALA H 2 18493 1 62 . 1 1 19 19 ALA C C 13 178.210 0.191 . 1 . . . A 19 ALA C 10 18493 1 63 . 1 1 19 19 ALA CA C 13 55.468 0.147 . 1 . . . A 19 ALA CA 17 18493 1 64 . 1 1 19 19 ALA CB C 13 17.865 0.117 . 1 . . . A 19 ALA CB 10 18493 1 65 . 1 1 19 19 ALA N N 15 123.958 0.147 . 1 . . . A 19 ALA N 19 18493 1 66 . 1 1 20 20 PHE C C 13 176.674 0.156 . 1 . . . A 20 PHE C 6 18493 1 67 . 1 1 20 20 PHE CA C 13 62.546 0.197 . 1 . . . A 20 PHE CA 10 18493 1 68 . 1 1 20 20 PHE CB C 13 38.697 0.300 . 1 . . . A 20 PHE CB 1 18493 1 69 . 1 1 20 20 PHE N N 15 118.424 0.290 . 1 . . . A 20 PHE N 11 18493 1 70 . 1 1 21 21 THR C C 13 174.203 0.226 . 1 . . . A 21 THR C 18 18493 1 71 . 1 1 21 21 THR CA C 13 66.052 0.521 . 1 . . . A 21 THR CA 40 18493 1 72 . 1 1 21 21 THR CB C 13 68.956 0.583 . 1 . . . A 21 THR CB 29 18493 1 73 . 1 1 21 21 THR CG2 C 13 22.538 0.082 . 1 . . . A 21 THR CG2 26 18493 1 74 . 1 1 21 21 THR N N 15 109.220 0.236 . 1 . . . A 21 THR N 14 18493 1 75 . 1 1 22 22 ALA C C 13 179.488 0.170 . 1 . . . A 22 ALA C 11 18493 1 76 . 1 1 22 22 ALA CA C 13 54.847 0.162 . 1 . . . A 22 ALA CA 25 18493 1 77 . 1 1 22 22 ALA CB C 13 17.801 0.103 . 1 . . . A 22 ALA CB 15 18493 1 78 . 1 1 22 22 ALA N N 15 123.662 0.232 . 1 . . . A 22 ALA N 17 18493 1 79 . 1 1 23 23 LEU H H 1 8.581 0.094 . 1 . . . A 23 LEU H 3 18493 1 80 . 1 1 23 23 LEU C C 13 178.028 0.137 . 1 . . . A 23 LEU C 10 18493 1 81 . 1 1 23 23 LEU CA C 13 57.713 0.168 . 1 . . . A 23 LEU CA 17 18493 1 82 . 1 1 23 23 LEU CB C 13 41.506 0.071 . 1 . . . A 23 LEU CB 5 18493 1 83 . 1 1 23 23 LEU CG C 13 26.938 0.112 . 1 . . . A 23 LEU CG 6 18493 1 84 . 1 1 23 23 LEU CD1 C 13 22.773 0.114 . 2 . . . A 23 LEU CD1 4 18493 1 85 . 1 1 23 23 LEU CD2 C 13 22.797 0.300 . 2 . . . A 23 LEU CD2 1 18493 1 86 . 1 1 23 23 LEU N N 15 118.917 0.139 . 1 . . . A 23 LEU N 22 18493 1 87 . 1 1 24 24 ALA C C 13 180.617 0.253 . 1 . . . A 24 ALA C 14 18493 1 88 . 1 1 24 24 ALA CA C 13 55.350 0.248 . 1 . . . A 24 ALA CA 22 18493 1 89 . 1 1 24 24 ALA CB C 13 17.583 0.160 . 1 . . . A 24 ALA CB 9 18493 1 90 . 1 1 24 24 ALA N N 15 119.931 0.087 . 1 . . . A 24 ALA N 17 18493 1 91 . 1 1 25 25 LEU H H 1 9.179 0.015 . 1 . . . A 25 LEU H 2 18493 1 92 . 1 1 25 25 LEU CA C 13 58.078 0.174 . 1 . . . A 25 LEU CA 15 18493 1 93 . 1 1 25 25 LEU CB C 13 43.597 0.156 . 1 . . . A 25 LEU CB 6 18493 1 94 . 1 1 25 25 LEU CG C 13 27.151 0.097 . 1 . . . A 25 LEU CG 3 18493 1 95 . 1 1 25 25 LEU CD1 C 13 23.596 0.300 . 2 . . . A 25 LEU CD1 1 18493 1 96 . 1 1 25 25 LEU CD2 C 13 23.596 0.300 . 2 . . . A 25 LEU CD2 1 18493 1 97 . 1 1 25 25 LEU N N 15 119.691 0.306 . 1 . . . A 25 LEU N 18 18493 1 98 . 1 1 26 26 GLU C C 13 179.334 0.247 . 1 . . . A 26 GLU C 5 18493 1 99 . 1 1 26 26 GLU CA C 13 59.584 0.068 . 1 . . . A 26 GLU CA 5 18493 1 100 . 1 1 26 26 GLU CB C 13 27.202 0.136 . 1 . . . A 26 GLU CB 4 18493 1 101 . 1 1 26 26 GLU N N 15 119.651 0.300 . 1 . . . A 26 GLU N 2 18493 1 102 . 1 1 27 27 LEU H H 1 9.410 0.062 . 1 . . . A 27 LEU H 3 18493 1 103 . 1 1 27 27 LEU CA C 13 57.887 0.086 . 1 . . . A 27 LEU CA 8 18493 1 104 . 1 1 27 27 LEU CB C 13 41.591 0.147 . 1 . . . A 27 LEU CB 6 18493 1 105 . 1 1 27 27 LEU CG C 13 27.146 0.010 . 1 . . . A 27 LEU CG 2 18493 1 106 . 1 1 27 27 LEU CD1 C 13 23.581 0.300 . 2 . . . A 27 LEU CD1 1 18493 1 107 . 1 1 27 27 LEU CD2 C 13 23.581 0.300 . 2 . . . A 27 LEU CD2 1 18493 1 108 . 1 1 27 27 LEU N N 15 119.661 0.205 . 1 . . . A 27 LEU N 13 18493 1 109 . 1 1 28 28 THR C C 13 175.898 0.179 . 1 . . . A 28 THR C 4 18493 1 110 . 1 1 28 28 THR CA C 13 67.459 0.166 . 1 . . . A 28 THR CA 14 18493 1 111 . 1 1 28 28 THR CB C 13 67.948 0.178 . 1 . . . A 28 THR CB 5 18493 1 112 . 1 1 28 28 THR CG2 C 13 21.766 0.102 . 1 . . . A 28 THR CG2 6 18493 1 113 . 1 1 28 28 THR N N 15 118.484 0.098 . 1 . . . A 28 THR N 4 18493 1 114 . 1 1 29 29 ALA H H 1 8.302 0.020 . 1 . . . A 29 ALA H 2 18493 1 115 . 1 1 29 29 ALA C C 13 179.717 0.245 . 1 . . . A 29 ALA C 15 18493 1 116 . 1 1 29 29 ALA CA C 13 55.919 0.261 . 1 . . . A 29 ALA CA 24 18493 1 117 . 1 1 29 29 ALA CB C 13 16.837 0.362 . 1 . . . A 29 ALA CB 22 18493 1 118 . 1 1 29 29 ALA N N 15 122.643 0.176 . 1 . . . A 29 ALA N 11 18493 1 119 . 1 1 30 30 LEU H H 1 8.412 0.023 . 1 . . . A 30 LEU H 2 18493 1 120 . 1 1 30 30 LEU C C 13 178.143 0.127 . 1 . . . A 30 LEU C 2 18493 1 121 . 1 1 30 30 LEU CA C 13 57.384 0.150 . 1 . . . A 30 LEU CA 16 18493 1 122 . 1 1 30 30 LEU CB C 13 41.679 0.199 . 1 . . . A 30 LEU CB 5 18493 1 123 . 1 1 30 30 LEU CG C 13 26.482 0.118 . 1 . . . A 30 LEU CG 4 18493 1 124 . 1 1 30 30 LEU CD1 C 13 22.521 0.291 . 2 . . . A 30 LEU CD1 2 18493 1 125 . 1 1 30 30 LEU CD2 C 13 22.812 0.300 . 2 . . . A 30 LEU CD2 1 18493 1 126 . 1 1 30 30 LEU N N 15 117.408 0.101 . 1 . . . A 30 LEU N 23 18493 1 127 . 1 1 31 31 TRP H H 1 9.157 0.012 . 1 . . . A 31 TRP H 2 18493 1 128 . 1 1 31 31 TRP C C 13 179.053 0.300 . 1 . . . A 31 TRP C 1 18493 1 129 . 1 1 31 31 TRP CA C 13 59.005 0.007 . 1 . . . A 31 TRP CA 3 18493 1 130 . 1 1 31 31 TRP CB C 13 28.142 0.036 . 1 . . . A 31 TRP CB 3 18493 1 131 . 1 1 31 31 TRP N N 15 125.692 0.018 . 1 . . . A 31 TRP N 2 18493 1 132 . 1 1 32 32 PHE H H 1 9.374 0.012 . 1 . . . A 32 PHE H 2 18493 1 133 . 1 1 32 32 PHE CA C 13 61.557 0.239 . 1 . . . A 32 PHE CA 3 18493 1 134 . 1 1 32 32 PHE CB C 13 38.384 0.300 . 1 . . . A 32 PHE CB 1 18493 1 135 . 1 1 32 32 PHE N N 15 119.195 0.300 . 1 . . . A 32 PHE N 2 18493 1 136 . 1 1 33 33 GLN C C 13 177.477 0.215 . 1 . . . A 33 GLN C 3 18493 1 137 . 1 1 33 33 GLN CA C 13 56.613 0.300 . 1 . . . A 33 GLN CA 1 18493 1 138 . 1 1 33 33 GLN CB C 13 29.433 0.172 . 1 . . . A 33 GLN CB 3 18493 1 139 . 1 1 34 34 HIS H H 1 9.621 0.026 . 1 . . . A 34 HIS H 3 18493 1 140 . 1 1 34 34 HIS C C 13 175.548 0.282 . 1 . . . A 34 HIS C 2 18493 1 141 . 1 1 34 34 HIS CA C 13 58.733 0.049 . 1 . . . A 34 HIS CA 3 18493 1 142 . 1 1 34 34 HIS CB C 13 32.084 0.437 . 1 . . . A 34 HIS CB 4 18493 1 143 . 1 1 34 34 HIS CG C 13 137.404 2.253 . 1 . . . A 34 HIS CG 7 18493 1 144 . 1 1 34 34 HIS CD2 C 13 117.518 0.108 . 1 . . . A 34 HIS CD2 7 18493 1 145 . 1 1 34 34 HIS CE1 C 13 139.690 0.204 . 1 . . . A 34 HIS CE1 4 18493 1 146 . 1 1 34 34 HIS N N 15 115.948 0.073 . 1 . . . A 34 HIS N 3 18493 1 147 . 1 1 35 35 VAL C C 13 177.853 0.300 . 1 . . . A 35 VAL C 1 18493 1 148 . 1 1 35 35 VAL CA C 13 64.075 0.169 . 1 . . . A 35 VAL CA 9 18493 1 149 . 1 1 35 35 VAL CB C 13 30.626 0.051 . 1 . . . A 35 VAL CB 2 18493 1 150 . 1 1 35 35 VAL CG2 C 13 21.112 0.079 . 2 . . . A 35 VAL CG2 5 18493 1 151 . 1 1 35 35 VAL N N 15 116.902 0.004 . 1 . . . A 35 VAL N 3 18493 1 152 . 1 1 36 36 MET H H 1 7.605 0.034 . 1 . . . A 36 MET H 3 18493 1 153 . 1 1 36 36 MET C C 13 175.905 0.300 . 1 . . . A 36 MET C 1 18493 1 154 . 1 1 36 36 MET N N 15 114.145 0.036 . 1 . . . A 36 MET N 2 18493 1 155 . 1 1 37 37 LEU H H 1 7.121 0.026 . 1 . . . A 37 LEU H 3 18493 1 156 . 1 1 37 37 LEU N N 15 111.740 0.034 . 1 . . . A 37 LEU N 4 18493 1 157 . 1 1 38 38 LEU C C 13 176.457 0.300 . 1 . . . A 38 LEU C 1 18493 1 158 . 1 1 39 39 LYS H H 1 9.359 0.022 . 1 . . . A 39 LYS H 3 18493 1 159 . 1 1 39 39 LYS CA C 13 57.471 0.300 . 1 . . . A 39 LYS CA 1 18493 1 160 . 1 1 39 39 LYS N N 15 121.418 0.022 . 1 . . . A 39 LYS N 3 18493 1 161 . 1 1 40 40 PRO CA C 13 60.451 0.300 . 1 . . . A 40 PRO CA 1 18493 1 162 . 1 1 40 40 PRO CD C 13 51.590 0.244 . 1 . . . A 40 PRO CD 4 18493 1 163 . 1 1 42 42 VAL C C 13 179.261 0.126 . 1 . . . A 42 VAL C 4 18493 1 164 . 1 1 42 42 VAL CA C 13 67.223 0.316 . 1 . . . A 42 VAL CA 3 18493 1 165 . 1 1 42 42 VAL CB C 13 30.941 0.262 . 1 . . . A 42 VAL CB 2 18493 1 166 . 1 1 42 42 VAL CG1 C 13 23.413 0.300 . 2 . . . A 42 VAL CG1 1 18493 1 167 . 1 1 42 42 VAL CG2 C 13 21.922 0.300 . 2 . . . A 42 VAL CG2 1 18493 1 168 . 1 1 42 42 VAL N N 15 118.166 0.021 . 1 . . . A 42 VAL N 2 18493 1 169 . 1 1 43 43 LEU C C 13 178.293 0.388 . 1 . . . A 43 LEU C 8 18493 1 170 . 1 1 43 43 LEU CA C 13 57.129 0.094 . 1 . . . A 43 LEU CA 3 18493 1 171 . 1 1 43 43 LEU CB C 13 41.030 0.300 . 1 . . . A 43 LEU CB 1 18493 1 172 . 1 1 43 43 LEU CG C 13 26.666 0.153 . 1 . . . A 43 LEU CG 2 18493 1 173 . 1 1 43 43 LEU CD1 C 13 21.873 0.300 . 2 . . . A 43 LEU CD1 1 18493 1 174 . 1 1 43 43 LEU CD2 C 13 21.866 0.300 . 2 . . . A 43 LEU CD2 1 18493 1 175 . 1 1 43 43 LEU N N 15 115.946 0.075 . 1 . . . A 43 LEU N 4 18493 1 176 . 1 1 44 44 CYS H H 1 7.683 0.032 . 1 . . . A 44 CYS H 2 18493 1 177 . 1 1 44 44 CYS C C 13 177.484 0.210 . 1 . . . A 44 CYS C 7 18493 1 178 . 1 1 44 44 CYS CA C 13 59.760 0.793 . 1 . . . A 44 CYS CA 13 18493 1 179 . 1 1 44 44 CYS CB C 13 30.651 2.786 . 1 . . . A 44 CYS CB 4 18493 1 180 . 1 1 44 44 CYS N N 15 115.006 0.814 . 1 . . . A 44 CYS N 17 18493 1 181 . 1 1 45 45 ILE C C 13 179.575 0.247 . 1 . . . A 45 ILE C 6 18493 1 182 . 1 1 45 45 ILE CA C 13 62.068 0.136 . 1 . . . A 45 ILE CA 14 18493 1 183 . 1 1 45 45 ILE CB C 13 33.583 0.345 . 1 . . . A 45 ILE CB 12 18493 1 184 . 1 1 45 45 ILE CG1 C 13 25.847 0.024 . 1 . . . A 45 ILE CG1 4 18493 1 185 . 1 1 45 45 ILE CG2 C 13 19.220 0.032 . 1 . . . A 45 ILE CG2 4 18493 1 186 . 1 1 45 45 ILE CD1 C 13 8.010 0.069 . 1 . . . A 45 ILE CD1 40 18493 1 187 . 1 1 45 45 ILE N N 15 119.384 1.920 . 1 . . . A 45 ILE N 5 18493 1 188 . 1 1 46 46 TYR H H 1 8.958 0.053 . 1 . . . A 46 TYR H 3 18493 1 189 . 1 1 46 46 TYR C C 13 178.397 0.035 . 1 . . . A 46 TYR C 2 18493 1 190 . 1 1 46 46 TYR CA C 13 59.129 0.181 . 1 . . . A 46 TYR CA 3 18493 1 191 . 1 1 46 46 TYR CB C 13 35.347 0.300 . 1 . . . A 46 TYR CB 1 18493 1 192 . 1 1 46 46 TYR N N 15 120.126 0.331 . 1 . . . A 46 TYR N 8 18493 1 193 . 1 1 47 47 GLU H H 1 9.681 0.005 . 1 . . . A 47 GLU H 2 18493 1 194 . 1 1 47 47 GLU C C 13 179.907 0.129 . 1 . . . A 47 GLU C 6 18493 1 195 . 1 1 47 47 GLU CA C 13 57.985 0.177 . 1 . . . A 47 GLU CA 5 18493 1 196 . 1 1 47 47 GLU CB C 13 27.290 0.033 . 1 . . . A 47 GLU CB 2 18493 1 197 . 1 1 47 47 GLU CG C 13 34.938 0.029 . 1 . . . A 47 GLU CG 2 18493 1 198 . 1 1 47 47 GLU N N 15 121.779 0.043 . 1 . . . A 47 GLU N 4 18493 1 199 . 1 1 48 48 ARG H H 1 9.213 0.020 . 1 . . . A 48 ARG H 2 18493 1 200 . 1 1 48 48 ARG C C 13 181.638 0.106 . 1 . . . A 48 ARG C 5 18493 1 201 . 1 1 48 48 ARG CA C 13 60.299 0.257 . 1 . . . A 48 ARG CA 16 18493 1 202 . 1 1 48 48 ARG CB C 13 30.167 0.112 . 1 . . . A 48 ARG CB 7 18493 1 203 . 1 1 48 48 ARG CG C 13 27.511 0.135 . 1 . . . A 48 ARG CG 8 18493 1 204 . 1 1 48 48 ARG CD C 13 44.371 0.055 . 1 . . . A 48 ARG CD 6 18493 1 205 . 1 1 48 48 ARG N N 15 119.188 0.232 . 1 . . . A 48 ARG N 13 18493 1 206 . 1 1 49 49 VAL C C 13 177.326 0.183 . 1 . . . A 49 VAL C 9 18493 1 207 . 1 1 49 49 VAL CA C 13 66.624 0.188 . 1 . . . A 49 VAL CA 4 18493 1 208 . 1 1 49 49 VAL CB C 13 31.280 0.211 . 1 . . . A 49 VAL CB 3 18493 1 209 . 1 1 49 49 VAL CG1 C 13 23.674 0.635 . 2 . . . A 49 VAL CG1 2 18493 1 210 . 1 1 49 49 VAL CG2 C 13 22.427 0.073 . 2 . . . A 49 VAL CG2 2 18493 1 211 . 1 1 49 49 VAL N N 15 121.326 0.053 . 1 . . . A 49 VAL N 4 18493 1 212 . 1 1 50 50 ALA C C 13 179.594 0.173 . 1 . . . A 50 ALA C 10 18493 1 213 . 1 1 50 50 ALA CA C 13 55.902 0.277 . 1 . . . A 50 ALA CA 13 18493 1 214 . 1 1 50 50 ALA CB C 13 16.623 0.162 . 1 . . . A 50 ALA CB 7 18493 1 215 . 1 1 50 50 ALA N N 15 122.955 0.356 . 1 . . . A 50 ALA N 11 18493 1 216 . 1 1 51 51 LEU C C 13 177.990 0.294 . 1 . . . A 51 LEU C 7 18493 1 217 . 1 1 51 51 LEU CA C 13 57.285 0.176 . 1 . . . A 51 LEU CA 14 18493 1 218 . 1 1 51 51 LEU CB C 13 41.369 0.192 . 1 . . . A 51 LEU CB 5 18493 1 219 . 1 1 51 51 LEU CG C 13 26.330 0.171 . 1 . . . A 51 LEU CG 2 18493 1 220 . 1 1 51 51 LEU CD1 C 13 21.941 0.300 . 2 . . . A 51 LEU CD1 1 18493 1 221 . 1 1 51 51 LEU CD2 C 13 21.771 0.300 . 2 . . . A 51 LEU CD2 1 18493 1 222 . 1 1 51 51 LEU N N 15 115.737 0.292 . 1 . . . A 51 LEU N 13 18493 1 223 . 1 1 52 52 PHE H H 1 8.863 0.012 . 1 . . . A 52 PHE H 2 18493 1 224 . 1 1 52 52 PHE C C 13 179.142 0.183 . 1 . . . A 52 PHE C 8 18493 1 225 . 1 1 52 52 PHE CA C 13 62.518 0.122 . 1 . . . A 52 PHE CA 9 18493 1 226 . 1 1 52 52 PHE CB C 13 38.538 0.270 . 1 . . . A 52 PHE CB 2 18493 1 227 . 1 1 52 52 PHE N N 15 122.707 0.169 . 1 . . . A 52 PHE N 10 18493 1 228 . 1 1 53 53 GLY H H 1 9.027 0.010 . 1 . . . A 53 GLY H 2 18493 1 229 . 1 1 53 53 GLY C C 13 175.378 0.225 . 1 . . . A 53 GLY C 15 18493 1 230 . 1 1 53 53 GLY CA C 13 48.024 0.224 . 1 . . . A 53 GLY CA 24 18493 1 231 . 1 1 53 53 GLY N N 15 110.801 0.218 . 1 . . . A 53 GLY N 16 18493 1 232 . 1 1 54 54 VAL H H 1 7.948 0.031 . 1 . . . A 54 VAL H 2 18493 1 233 . 1 1 54 54 VAL C C 13 177.035 0.204 . 1 . . . A 54 VAL C 11 18493 1 234 . 1 1 54 54 VAL CA C 13 67.448 0.162 . 1 . . . A 54 VAL CA 25 18493 1 235 . 1 1 54 54 VAL CB C 13 31.246 0.206 . 1 . . . A 54 VAL CB 10 18493 1 236 . 1 1 54 54 VAL CG1 C 13 22.269 0.108 . 2 . . . A 54 VAL CG1 11 18493 1 237 . 1 1 54 54 VAL CG2 C 13 21.012 0.177 . 2 . . . A 54 VAL CG2 8 18493 1 238 . 1 1 54 54 VAL N N 15 121.926 0.158 . 1 . . . A 54 VAL N 23 18493 1 239 . 1 1 55 55 LEU H H 1 8.646 0.011 . 1 . . . A 55 LEU H 2 18493 1 240 . 1 1 55 55 LEU C C 13 178.175 0.460 . 1 . . . A 55 LEU C 5 18493 1 241 . 1 1 55 55 LEU CA C 13 58.490 0.316 . 1 . . . A 55 LEU CA 9 18493 1 242 . 1 1 55 55 LEU CB C 13 42.145 0.159 . 1 . . . A 55 LEU CB 7 18493 1 243 . 1 1 55 55 LEU CG C 13 27.014 0.300 . 1 . . . A 55 LEU CG 1 18493 1 244 . 1 1 55 55 LEU CD1 C 13 25.695 0.248 . 2 . . . A 55 LEU CD1 2 18493 1 245 . 1 1 55 55 LEU CD2 C 13 25.376 0.300 . 2 . . . A 55 LEU CD2 1 18493 1 246 . 1 1 55 55 LEU N N 15 119.894 0.170 . 1 . . . A 55 LEU N 16 18493 1 247 . 1 1 56 56 GLY C C 13 174.618 0.131 . 1 . . . A 56 GLY C 14 18493 1 248 . 1 1 56 56 GLY CA C 13 47.533 0.198 . 1 . . . A 56 GLY CA 28 18493 1 249 . 1 1 56 56 GLY N N 15 106.262 0.109 . 1 . . . A 56 GLY N 12 18493 1 250 . 1 1 57 57 ALA C C 13 178.688 0.218 . 1 . . . A 57 ALA C 13 18493 1 251 . 1 1 57 57 ALA CA C 13 55.548 0.187 . 1 . . . A 57 ALA CA 23 18493 1 252 . 1 1 57 57 ALA CB C 13 18.065 0.120 . 1 . . . A 57 ALA CB 17 18493 1 253 . 1 1 57 57 ALA N N 15 123.002 0.111 . 1 . . . A 57 ALA N 13 18493 1 254 . 1 1 58 58 ALA H H 1 8.674 0.003 . 1 . . . A 58 ALA H 2 18493 1 255 . 1 1 58 58 ALA C C 13 179.348 0.158 . 1 . . . A 58 ALA C 13 18493 1 256 . 1 1 58 58 ALA CA C 13 54.763 0.258 . 1 . . . A 58 ALA CA 18 18493 1 257 . 1 1 58 58 ALA CB C 13 17.898 0.175 . 1 . . . A 58 ALA CB 13 18493 1 258 . 1 1 58 58 ALA N N 15 118.866 0.161 . 1 . . . A 58 ALA N 17 18493 1 259 . 1 1 59 59 LEU C C 13 177.654 0.300 . 1 . . . A 59 LEU C 1 18493 1 260 . 1 1 59 59 LEU CA C 13 57.387 0.155 . 1 . . . A 59 LEU CA 14 18493 1 261 . 1 1 59 59 LEU CB C 13 41.209 0.158 . 1 . . . A 59 LEU CB 10 18493 1 262 . 1 1 59 59 LEU CG C 13 26.283 0.075 . 1 . . . A 59 LEU CG 3 18493 1 263 . 1 1 59 59 LEU CD1 C 13 21.815 0.300 . 2 . . . A 59 LEU CD1 1 18493 1 264 . 1 1 59 59 LEU CD2 C 13 21.744 0.300 . 2 . . . A 59 LEU CD2 1 18493 1 265 . 1 1 59 59 LEU N N 15 115.384 0.135 . 1 . . . A 59 LEU N 20 18493 1 266 . 1 1 60 60 ILE C C 13 180.024 0.233 . 1 . . . A 60 ILE C 10 18493 1 267 . 1 1 60 60 ILE CA C 13 64.263 0.278 . 1 . . . A 60 ILE CA 25 18493 1 268 . 1 1 60 60 ILE CB C 13 37.240 0.208 . 1 . . . A 60 ILE CB 16 18493 1 269 . 1 1 60 60 ILE CG1 C 13 29.859 0.184 . 1 . . . A 60 ILE CG1 10 18493 1 270 . 1 1 60 60 ILE CG2 C 13 16.881 0.091 . 1 . . . A 60 ILE CG2 11 18493 1 271 . 1 1 60 60 ILE CD1 C 13 13.606 0.125 . 1 . . . A 60 ILE CD1 9 18493 1 272 . 1 1 60 60 ILE N N 15 116.140 0.148 . 1 . . . A 60 ILE N 7 18493 1 273 . 1 1 61 61 GLY H H 1 9.046 0.002 . 1 . . . A 61 GLY H 2 18493 1 274 . 1 1 61 61 GLY C C 13 173.716 0.189 . 1 . . . A 61 GLY C 13 18493 1 275 . 1 1 61 61 GLY CA C 13 45.617 0.114 . 1 . . . A 61 GLY CA 23 18493 1 276 . 1 1 61 61 GLY N N 15 110.127 0.293 . 1 . . . A 61 GLY N 17 18493 1 277 . 1 1 62 62 ALA H H 1 8.066 0.012 . 1 . . . A 62 ALA H 2 18493 1 278 . 1 1 62 62 ALA C C 13 176.192 0.092 . 1 . . . A 62 ALA C 3 18493 1 279 . 1 1 62 62 ALA CA C 13 53.268 0.146 . 1 . . . A 62 ALA CA 25 18493 1 280 . 1 1 62 62 ALA CB C 13 19.138 0.103 . 1 . . . A 62 ALA CB 12 18493 1 281 . 1 1 62 62 ALA N N 15 118.949 0.237 . 1 . . . A 62 ALA N 15 18493 1 282 . 1 1 63 63 ILE CA C 13 66.739 0.151 . 1 . . . A 63 ILE CA 15 18493 1 283 . 1 1 63 63 ILE CB C 13 37.947 0.160 . 1 . . . A 63 ILE CB 19 18493 1 284 . 1 1 63 63 ILE CG1 C 13 29.043 0.468 . 1 . . . A 63 ILE CG1 4 18493 1 285 . 1 1 63 63 ILE CG2 C 13 16.921 0.191 . 1 . . . A 63 ILE CG2 10 18493 1 286 . 1 1 63 63 ILE CD1 C 13 14.543 0.153 . 1 . . . A 63 ILE CD1 8 18493 1 287 . 1 1 63 63 ILE N N 15 116.800 0.227 . 1 . . . A 63 ILE N 4 18493 1 288 . 1 1 64 64 ALA CA C 13 52.934 0.136 . 1 . . . A 64 ALA CA 5 18493 1 289 . 1 1 64 64 ALA CB C 13 19.428 0.300 . 1 . . . A 64 ALA CB 1 18493 1 290 . 1 1 64 64 ALA N N 15 123.957 0.300 . 1 . . . A 64 ALA N 1 18493 1 291 . 1 1 65 65 PRO CA C 13 65.350 0.030 . 1 . . . A 65 PRO CA 2 18493 1 292 . 1 1 65 65 PRO CG C 13 27.611 0.063 . 1 . . . A 65 PRO CG 2 18493 1 293 . 1 1 65 65 PRO CD C 13 51.485 0.275 . 1 . . . A 65 PRO CD 5 18493 1 294 . 1 1 65 65 PRO N N 15 128.226 0.174 . 1 . . . A 65 PRO N 4 18493 1 295 . 1 1 66 66 LYS C C 13 177.500 0.300 . 1 . . . A 66 LYS C 1 18493 1 296 . 1 1 66 66 LYS CA C 13 56.547 0.110 . 1 . . . A 66 LYS CA 3 18493 1 297 . 1 1 66 66 LYS CB C 13 30.522 0.300 . 1 . . . A 66 LYS CB 1 18493 1 298 . 1 1 66 66 LYS CE C 13 42.222 0.076 . 1 . . . A 66 LYS CE 2 18493 1 299 . 1 1 66 66 LYS N N 15 116.618 0.155 . 1 . . . A 66 LYS N 2 18493 1 300 . 1 1 67 67 THR CA C 13 60.452 0.240 . 1 . . . A 67 THR CA 10 18493 1 301 . 1 1 67 67 THR CB C 13 69.948 0.041 . 1 . . . A 67 THR CB 8 18493 1 302 . 1 1 67 67 THR CG2 C 13 21.879 0.061 . 1 . . . A 67 THR CG2 10 18493 1 303 . 1 1 68 68 PRO C C 13 177.070 0.300 . 1 . . . A 68 PRO C 1 18493 1 304 . 1 1 68 68 PRO CA C 13 63.315 0.033 . 1 . . . A 68 PRO CA 2 18493 1 305 . 1 1 68 68 PRO CB C 13 32.458 0.117 . 1 . . . A 68 PRO CB 3 18493 1 306 . 1 1 68 68 PRO CG C 13 28.010 0.008 . 1 . . . A 68 PRO CG 2 18493 1 307 . 1 1 68 68 PRO CD C 13 51.735 0.207 . 1 . . . A 68 PRO CD 6 18493 1 308 . 1 1 68 68 PRO N N 15 129.713 0.223 . 1 . . . A 68 PRO N 3 18493 1 309 . 1 1 69 69 LEU H H 1 8.882 0.010 . 1 . . . A 69 LEU H 2 18493 1 310 . 1 1 69 69 LEU C C 13 179.448 0.164 . 1 . . . A 69 LEU C 6 18493 1 311 . 1 1 69 69 LEU CA C 13 57.389 0.300 . 1 . . . A 69 LEU CA 1 18493 1 312 . 1 1 69 69 LEU CB C 13 42.737 0.300 . 1 . . . A 69 LEU CB 1 18493 1 313 . 1 1 69 69 LEU CG C 13 26.295 0.300 . 1 . . . A 69 LEU CG 1 18493 1 314 . 1 1 69 69 LEU CD1 C 13 23.591 0.300 . 2 . . . A 69 LEU CD1 1 18493 1 315 . 1 1 69 69 LEU CD2 C 13 23.617 0.300 . 2 . . . A 69 LEU CD2 1 18493 1 316 . 1 1 69 69 LEU N N 15 121.517 0.015 . 1 . . . A 69 LEU N 2 18493 1 317 . 1 1 70 70 ARG H H 1 8.202 0.037 . 1 . . . A 70 ARG H 3 18493 1 318 . 1 1 70 70 ARG C C 13 177.925 0.300 . 1 . . . A 70 ARG C 1 18493 1 319 . 1 1 70 70 ARG CA C 13 58.429 0.227 . 1 . . . A 70 ARG CA 11 18493 1 320 . 1 1 70 70 ARG CB C 13 29.391 0.149 . 1 . . . A 70 ARG CB 3 18493 1 321 . 1 1 70 70 ARG CG C 13 26.748 0.071 . 1 . . . A 70 ARG CG 6 18493 1 322 . 1 1 70 70 ARG CD C 13 44.579 0.104 . 1 . . . A 70 ARG CD 11 18493 1 323 . 1 1 70 70 ARG CZ C 13 159.739 0.300 . 1 . . . A 70 ARG CZ 1 18493 1 324 . 1 1 70 70 ARG N N 15 114.028 0.148 . 1 . . . A 70 ARG N 9 18493 1 325 . 1 1 71 71 TYR H H 1 8.136 0.015 . 1 . . . A 71 TYR H 2 18493 1 326 . 1 1 71 71 TYR CA C 13 57.374 0.092 . 1 . . . A 71 TYR CA 3 18493 1 327 . 1 1 71 71 TYR N N 15 121.740 0.015 . 1 . . . A 71 TYR N 2 18493 1 328 . 1 1 72 72 VAL C C 13 177.702 0.132 . 1 . . . A 72 VAL C 13 18493 1 329 . 1 1 72 72 VAL CA C 13 66.098 0.174 . 1 . . . A 72 VAL CA 22 18493 1 330 . 1 1 72 72 VAL CB C 13 31.343 0.089 . 1 . . . A 72 VAL CB 7 18493 1 331 . 1 1 72 72 VAL CG1 C 13 22.760 0.073 . 2 . . . A 72 VAL CG1 6 18493 1 332 . 1 1 72 72 VAL CG2 C 13 21.150 0.404 . 2 . . . A 72 VAL CG2 12 18493 1 333 . 1 1 72 72 VAL N N 15 118.416 0.293 . 1 . . . A 72 VAL N 6 18493 1 334 . 1 1 73 73 ALA H H 1 9.015 0.030 . 1 . . . A 73 ALA H 3 18493 1 335 . 1 1 73 73 ALA C C 13 179.763 0.155 . 1 . . . A 73 ALA C 10 18493 1 336 . 1 1 73 73 ALA CA C 13 55.785 0.150 . 1 . . . A 73 ALA CA 31 18493 1 337 . 1 1 73 73 ALA CB C 13 19.265 0.132 . 1 . . . A 73 ALA CB 17 18493 1 338 . 1 1 73 73 ALA N N 15 120.283 0.342 . 1 . . . A 73 ALA N 20 18493 1 339 . 1 1 74 74 MET H H 1 8.163 0.008 . 1 . . . A 74 MET H 2 18493 1 340 . 1 1 74 74 MET C C 13 177.223 0.236 . 1 . . . A 74 MET C 12 18493 1 341 . 1 1 74 74 MET CA C 13 61.023 0.161 . 1 . . . A 74 MET CA 16 18493 1 342 . 1 1 74 74 MET CB C 13 33.777 0.092 . 1 . . . A 74 MET CB 3 18493 1 343 . 1 1 74 74 MET CG C 13 35.778 0.203 . 1 . . . A 74 MET CG 6 18493 1 344 . 1 1 74 74 MET N N 15 115.547 0.203 . 1 . . . A 74 MET N 14 18493 1 345 . 1 1 75 75 VAL H H 1 7.554 0.034 . 1 . . . A 75 VAL H 2 18493 1 346 . 1 1 75 75 VAL C C 13 177.166 0.124 . 1 . . . A 75 VAL C 5 18493 1 347 . 1 1 75 75 VAL CA C 13 67.581 0.250 . 1 . . . A 75 VAL CA 13 18493 1 348 . 1 1 75 75 VAL CB C 13 31.408 0.100 . 1 . . . A 75 VAL CB 4 18493 1 349 . 1 1 75 75 VAL CG1 C 13 23.448 0.034 . 2 . . . A 75 VAL CG1 4 18493 1 350 . 1 1 75 75 VAL CG2 C 13 21.778 0.300 . 2 . . . A 75 VAL CG2 1 18493 1 351 . 1 1 75 75 VAL N N 15 118.690 0.254 . 1 . . . A 75 VAL N 16 18493 1 352 . 1 1 76 76 ILE C C 13 178.680 0.168 . 1 . . . A 76 ILE C 11 18493 1 353 . 1 1 76 76 ILE CA C 13 65.839 0.221 . 1 . . . A 76 ILE CA 23 18493 1 354 . 1 1 76 76 ILE CB C 13 38.414 0.257 . 1 . . . A 76 ILE CB 9 18493 1 355 . 1 1 76 76 ILE CG1 C 13 31.176 0.211 . 1 . . . A 76 ILE CG1 7 18493 1 356 . 1 1 76 76 ILE CG2 C 13 17.003 0.122 . 1 . . . A 76 ILE CG2 8 18493 1 357 . 1 1 76 76 ILE CD1 C 13 14.703 0.196 . 1 . . . A 76 ILE CD1 3 18493 1 358 . 1 1 76 76 ILE N N 15 118.959 0.210 . 1 . . . A 76 ILE N 13 18493 1 359 . 1 1 77 77 TRP H H 1 9.515 0.015 . 1 . . . A 77 TRP H 2 18493 1 360 . 1 1 77 77 TRP C C 13 177.153 0.135 . 1 . . . A 77 TRP C 8 18493 1 361 . 1 1 77 77 TRP CA C 13 58.779 0.111 . 1 . . . A 77 TRP CA 12 18493 1 362 . 1 1 77 77 TRP CB C 13 30.494 0.281 . 1 . . . A 77 TRP CB 11 18493 1 363 . 1 1 77 77 TRP CG C 13 114.126 0.300 . 1 . . . A 77 TRP CG 1 18493 1 364 . 1 1 77 77 TRP CD1 C 13 122.582 0.300 . 4 . . . A 77 TRP CD1 1 18493 1 365 . 1 1 77 77 TRP N N 15 125.440 0.096 . 1 . . . A 77 TRP N 17 18493 1 366 . 1 1 78 78 LEU H H 1 9.367 0.005 . 1 . . . A 78 LEU H 2 18493 1 367 . 1 1 78 78 LEU C C 13 178.381 0.099 . 1 . . . A 78 LEU C 5 18493 1 368 . 1 1 78 78 LEU CA C 13 58.041 0.256 . 1 . . . A 78 LEU CA 9 18493 1 369 . 1 1 78 78 LEU CB C 13 43.807 0.230 . 1 . . . A 78 LEU CB 6 18493 1 370 . 1 1 78 78 LEU CG C 13 27.131 0.216 . 1 . . . A 78 LEU CG 4 18493 1 371 . 1 1 78 78 LEU CD1 C 13 23.311 0.300 . 2 . . . A 78 LEU CD1 1 18493 1 372 . 1 1 78 78 LEU CD2 C 13 23.168 0.300 . 2 . . . A 78 LEU CD2 1 18493 1 373 . 1 1 78 78 LEU N N 15 118.968 0.194 . 1 . . . A 78 LEU N 13 18493 1 374 . 1 1 79 79 TYR C C 13 176.777 0.210 . 1 . . . A 79 TYR C 5 18493 1 375 . 1 1 79 79 TYR CA C 13 62.849 0.235 . 1 . . . A 79 TYR CA 3 18493 1 376 . 1 1 79 79 TYR N N 15 118.181 0.222 . 1 . . . A 79 TYR N 6 18493 1 377 . 1 1 80 80 SER C C 13 175.943 0.092 . 1 . . . A 80 SER C 8 18493 1 378 . 1 1 80 80 SER CA C 13 63.515 0.093 . 1 . . . A 80 SER CA 15 18493 1 379 . 1 1 80 80 SER CB C 13 63.941 0.300 . 1 . . . A 80 SER CB 1 18493 1 380 . 1 1 80 80 SER N N 15 114.286 0.173 . 1 . . . A 80 SER N 8 18493 1 381 . 1 1 81 81 ALA C C 13 178.208 0.148 . 1 . . . A 81 ALA C 4 18493 1 382 . 1 1 81 81 ALA CA C 13 55.224 0.139 . 1 . . . A 81 ALA CA 18 18493 1 383 . 1 1 81 81 ALA CB C 13 17.897 0.096 . 1 . . . A 81 ALA CB 9 18493 1 384 . 1 1 81 81 ALA N N 15 121.070 0.164 . 1 . . . A 81 ALA N 11 18493 1 385 . 1 1 82 82 PHE C C 13 176.975 0.033 . 1 . . . A 82 PHE C 2 18493 1 386 . 1 1 82 82 PHE CA C 13 62.132 0.255 . 1 . . . A 82 PHE CA 6 18493 1 387 . 1 1 82 82 PHE CB C 13 38.497 0.300 . 1 . . . A 82 PHE CB 1 18493 1 388 . 1 1 82 82 PHE N N 15 117.560 0.068 . 1 . . . A 82 PHE N 5 18493 1 389 . 1 1 83 83 ARG C C 13 178.637 0.085 . 1 . . . A 83 ARG C 7 18493 1 390 . 1 1 83 83 ARG CA C 13 60.291 0.584 . 1 . . . A 83 ARG CA 10 18493 1 391 . 1 1 83 83 ARG CB C 13 28.625 0.036 . 1 . . . A 83 ARG CB 2 18493 1 392 . 1 1 83 83 ARG CG C 13 26.715 0.649 . 1 . . . A 83 ARG CG 2 18493 1 393 . 1 1 83 83 ARG CD C 13 43.764 0.100 . 1 . . . A 83 ARG CD 2 18493 1 394 . 1 1 83 83 ARG N N 15 117.110 0.185 . 1 . . . A 83 ARG N 3 18493 1 395 . 1 1 84 84 GLY C C 13 177.091 0.256 . 1 . . . A 84 GLY C 9 18493 1 396 . 1 1 84 84 GLY CA C 13 46.128 0.261 . 1 . . . A 84 GLY CA 13 18493 1 397 . 1 1 84 84 GLY N N 15 105.915 0.270 . 1 . . . A 84 GLY N 11 18493 1 398 . 1 1 85 85 VAL C C 13 176.387 0.304 . 1 . . . A 85 VAL C 6 18493 1 399 . 1 1 85 85 VAL CA C 13 66.960 0.198 . 1 . . . A 85 VAL CA 16 18493 1 400 . 1 1 85 85 VAL CB C 13 31.066 0.289 . 1 . . . A 85 VAL CB 5 18493 1 401 . 1 1 85 85 VAL CG1 C 13 23.638 0.278 . 2 . . . A 85 VAL CG1 4 18493 1 402 . 1 1 85 85 VAL CG2 C 13 21.858 0.069 . 2 . . . A 85 VAL CG2 4 18493 1 403 . 1 1 85 85 VAL N N 15 124.985 0.240 . 1 . . . A 85 VAL N 13 18493 1 404 . 1 1 86 86 GLN C C 13 179.586 0.523 . 1 . . . A 86 GLN C 2 18493 1 405 . 1 1 86 86 GLN CA C 13 59.505 0.113 . 1 . . . A 86 GLN CA 3 18493 1 406 . 1 1 86 86 GLN CB C 13 28.762 0.269 . 1 . . . A 86 GLN CB 4 18493 1 407 . 1 1 86 86 GLN CG C 13 34.909 0.059 . 1 . . . A 86 GLN CG 2 18493 1 408 . 1 1 86 86 GLN N N 15 116.522 0.164 . 1 . . . A 86 GLN N 5 18493 1 409 . 1 1 87 87 LEU H H 1 8.955 0.025 . 1 . . . A 87 LEU H 2 18493 1 410 . 1 1 87 87 LEU C C 13 178.396 0.357 . 1 . . . A 87 LEU C 4 18493 1 411 . 1 1 87 87 LEU CA C 13 57.847 0.244 . 1 . . . A 87 LEU CA 8 18493 1 412 . 1 1 87 87 LEU CB C 13 41.924 0.206 . 1 . . . A 87 LEU CB 4 18493 1 413 . 1 1 87 87 LEU CG C 13 26.767 0.247 . 1 . . . A 87 LEU CG 2 18493 1 414 . 1 1 87 87 LEU CD1 C 13 23.627 0.300 . 2 . . . A 87 LEU CD1 1 18493 1 415 . 1 1 87 87 LEU CD2 C 13 23.596 0.300 . 2 . . . A 87 LEU CD2 1 18493 1 416 . 1 1 87 87 LEU N N 15 121.211 0.179 . 1 . . . A 87 LEU N 7 18493 1 417 . 1 1 88 88 THR H H 1 8.764 0.046 . 1 . . . A 88 THR H 2 18493 1 418 . 1 1 88 88 THR C C 13 180.013 0.300 . 1 . . . A 88 THR C 1 18493 1 419 . 1 1 88 88 THR CA C 13 65.112 0.115 . 1 . . . A 88 THR CA 16 18493 1 420 . 1 1 88 88 THR CB C 13 68.805 0.088 . 1 . . . A 88 THR CB 13 18493 1 421 . 1 1 88 88 THR CG2 C 13 24.796 0.115 . 1 . . . A 88 THR CG2 14 18493 1 422 . 1 1 88 88 THR N N 15 108.251 0.245 . 1 . . . A 88 THR N 6 18493 1 423 . 1 1 89 89 TYR H H 1 9.868 0.002 . 1 . . . A 89 TYR H 2 18493 1 424 . 1 1 89 89 TYR C C 13 177.244 0.300 . 1 . . . A 89 TYR C 1 18493 1 425 . 1 1 89 89 TYR N N 15 127.947 0.039 . 1 . . . A 89 TYR N 2 18493 1 426 . 1 1 90 90 GLU H H 1 8.515 0.020 . 1 . . . A 90 GLU H 2 18493 1 427 . 1 1 90 90 GLU C C 13 178.671 0.348 . 1 . . . A 90 GLU C 2 18493 1 428 . 1 1 90 90 GLU N N 15 121.163 0.032 . 1 . . . A 90 GLU N 2 18493 1 429 . 1 1 91 91 HIS H H 1 9.102 0.008 . 1 . . . A 91 HIS H 3 18493 1 430 . 1 1 91 91 HIS C C 13 177.605 0.067 . 1 . . . A 91 HIS C 5 18493 1 431 . 1 1 91 91 HIS CA C 13 57.085 0.057 . 1 . . . A 91 HIS CA 6 18493 1 432 . 1 1 91 91 HIS CB C 13 34.128 0.104 . 1 . . . A 91 HIS CB 3 18493 1 433 . 1 1 91 91 HIS CG C 13 136.131 0.120 . 1 . . . A 91 HIS CG 6 18493 1 434 . 1 1 91 91 HIS CD2 C 13 113.845 0.059 . 1 . . . A 91 HIS CD2 5 18493 1 435 . 1 1 91 91 HIS CE1 C 13 141.123 0.064 . 1 . . . A 91 HIS CE1 5 18493 1 436 . 1 1 91 91 HIS N N 15 120.459 0.180 . 1 . . . A 91 HIS N 5 18493 1 437 . 1 1 92 92 THR H H 1 9.550 0.009 . 1 . . . A 92 THR H 2 18493 1 438 . 1 1 92 92 THR C C 13 176.189 0.300 . 1 . . . A 92 THR C 1 18493 1 439 . 1 1 92 92 THR CA C 13 67.058 0.205 . 1 . . . A 92 THR CA 4 18493 1 440 . 1 1 92 92 THR CB C 13 68.564 0.183 . 1 . . . A 92 THR CB 3 18493 1 441 . 1 1 92 92 THR CG2 C 13 27.476 0.300 . 1 . . . A 92 THR CG2 1 18493 1 442 . 1 1 92 92 THR N N 15 115.463 0.141 . 1 . . . A 92 THR N 3 18493 1 443 . 1 1 93 93 MET C C 13 176.972 0.093 . 1 . . . A 93 MET C 4 18493 1 444 . 1 1 93 93 MET CA C 13 62.369 0.117 . 1 . . . A 93 MET CA 5 18493 1 445 . 1 1 93 93 MET CB C 13 33.515 0.300 . 1 . . . A 93 MET CB 1 18493 1 446 . 1 1 93 93 MET CG C 13 35.406 0.300 . 1 . . . A 93 MET CG 1 18493 1 447 . 1 1 93 93 MET N N 15 117.153 0.150 . 1 . . . A 93 MET N 6 18493 1 448 . 1 1 94 94 LEU H H 1 8.497 0.300 . 1 . . . A 94 LEU H 1 18493 1 449 . 1 1 94 94 LEU CA C 13 57.489 0.077 . 1 . . . A 94 LEU CA 8 18493 1 450 . 1 1 94 94 LEU CB C 13 41.432 0.089 . 1 . . . A 94 LEU CB 2 18493 1 451 . 1 1 94 94 LEU CG C 13 26.603 0.055 . 1 . . . A 94 LEU CG 2 18493 1 452 . 1 1 94 94 LEU CD1 C 13 22.658 0.101 . 2 . . . A 94 LEU CD1 2 18493 1 453 . 1 1 94 94 LEU CD2 C 13 22.759 0.300 . 2 . . . A 94 LEU CD2 1 18493 1 454 . 1 1 94 94 LEU N N 15 117.981 0.315 . 1 . . . A 94 LEU N 10 18493 1 455 . 1 1 95 95 GLN C C 13 178.331 0.045 . 1 . . . A 95 GLN C 2 18493 1 456 . 1 1 95 95 GLN CA C 13 57.604 0.300 . 1 . . . A 95 GLN CA 1 18493 1 457 . 1 1 95 95 GLN CB C 13 28.200 0.300 . 1 . . . A 95 GLN CB 1 18493 1 458 . 1 1 96 96 LEU C C 13 177.842 0.134 . 1 . . . A 96 LEU C 5 18493 1 459 . 1 1 96 96 LEU CA C 13 57.747 0.300 . 1 . . . A 96 LEU CA 2 18493 1 460 . 1 1 96 96 LEU CB C 13 41.721 0.068 . 1 . . . A 96 LEU CB 2 18493 1 461 . 1 1 96 96 LEU CG C 13 27.022 0.300 . 1 . . . A 96 LEU CG 1 18493 1 462 . 1 1 96 96 LEU CD1 C 13 23.513 0.300 . 2 . . . A 96 LEU CD1 1 18493 1 463 . 1 1 96 96 LEU CD2 C 13 22.940 0.300 . 2 . . . A 96 LEU CD2 1 18493 1 464 . 1 1 96 96 LEU N N 15 118.174 0.129 . 1 . . . A 96 LEU N 2 18493 1 465 . 1 1 97 97 TYR H H 1 8.485 0.004 . 1 . . . A 97 TYR H 2 18493 1 466 . 1 1 97 97 TYR CA C 13 57.581 0.199 . 1 . . . A 97 TYR CA 6 18493 1 467 . 1 1 97 97 TYR N N 15 117.359 0.153 . 1 . . . A 97 TYR N 7 18493 1 468 . 1 1 98 98 PRO CA C 13 63.847 0.300 . 1 . . . A 98 PRO CA 1 18493 1 469 . 1 1 98 98 PRO CD C 13 50.919 0.110 . 1 . . . A 98 PRO CD 3 18493 1 470 . 1 1 98 98 PRO N N 15 130.765 0.300 . 1 . . . A 98 PRO N 1 18493 1 471 . 1 1 99 99 SER CA C 13 58.145 0.263 . 1 . . . A 99 SER CA 7 18493 1 472 . 1 1 99 99 SER CB C 13 64.506 0.157 . 1 . . . A 99 SER CB 3 18493 1 473 . 1 1 100 100 PRO CD C 13 50.825 0.084 . 1 . . . A 100 PRO CD 3 18493 1 474 . 1 1 100 100 PRO N N 15 130.137 0.300 . 1 . . . A 100 PRO N 1 18493 1 475 . 1 1 101 101 PHE C C 13 174.992 0.300 . 1 . . . A 101 PHE C 1 18493 1 476 . 1 1 102 102 ALA H H 1 7.383 0.024 . 1 . . . A 102 ALA H 2 18493 1 477 . 1 1 102 102 ALA C C 13 176.810 0.300 . 1 . . . A 102 ALA C 1 18493 1 478 . 1 1 102 102 ALA CA C 13 54.355 0.017 . 1 . . . A 102 ALA CA 2 18493 1 479 . 1 1 102 102 ALA N N 15 120.614 0.024 . 1 . . . A 102 ALA N 2 18493 1 480 . 1 1 103 103 THR H H 1 9.278 0.020 . 1 . . . A 103 THR H 2 18493 1 481 . 1 1 103 103 THR C C 13 175.666 0.155 . 1 . . . A 103 THR C 2 18493 1 482 . 1 1 103 103 THR CA C 13 59.838 0.300 . 1 . . . A 103 THR CA 1 18493 1 483 . 1 1 103 103 THR CB C 13 67.623 0.300 . 1 . . . A 103 THR CB 1 18493 1 484 . 1 1 103 103 THR CG2 C 13 20.002 0.300 . 1 . . . A 103 THR CG2 1 18493 1 485 . 1 1 103 103 THR N N 15 112.507 0.194 . 1 . . . A 103 THR N 5 18493 1 486 . 1 1 104 104 CYS H H 1 9.934 0.012 . 1 . . . A 104 CYS H 2 18493 1 487 . 1 1 104 104 CYS C C 13 174.474 0.300 . 1 . . . A 104 CYS C 1 18493 1 488 . 1 1 104 104 CYS CA C 13 64.988 0.300 . 1 . . . A 104 CYS CA 1 18493 1 489 . 1 1 104 104 CYS CB C 13 42.988 0.300 . 1 . . . A 104 CYS CB 1 18493 1 490 . 1 1 104 104 CYS N N 15 122.754 0.031 . 1 . . . A 104 CYS N 3 18493 1 491 . 1 1 105 105 ASP H H 1 8.153 0.005 . 1 . . . A 105 ASP H 2 18493 1 492 . 1 1 105 105 ASP CB C 13 41.030 0.300 . 1 . . . A 105 ASP CB 1 18493 1 493 . 1 1 105 105 ASP N N 15 121.350 0.012 . 1 . . . A 105 ASP N 2 18493 1 494 . 1 1 108 108 VAL C C 13 175.472 0.115 . 1 . . . A 108 VAL C 3 18493 1 495 . 1 1 108 108 VAL CA C 13 61.483 0.237 . 1 . . . A 108 VAL CA 8 18493 1 496 . 1 1 108 108 VAL CB C 13 32.076 0.300 . 1 . . . A 108 VAL CB 1 18493 1 497 . 1 1 108 108 VAL CG1 C 13 22.907 0.056 . 2 . . . A 108 VAL CG1 4 18493 1 498 . 1 1 108 108 VAL CG2 C 13 21.098 0.044 . 2 . . . A 108 VAL CG2 4 18493 1 499 . 1 1 108 108 VAL N N 15 112.506 0.026 . 1 . . . A 108 VAL N 3 18493 1 500 . 1 1 109 109 ARG N N 15 112.150 0.050 . 1 . . . . 109 ARG N 3 18493 1 501 . 1 1 110 110 PHE CA C 13 58.681 0.114 . 1 . . . . 110 PHE CA 2 18493 1 502 . 1 1 111 111 PRO CA C 13 65.848 0.300 . 1 . . . . 111 PRO CA 1 18493 1 503 . 1 1 111 111 PRO CD C 13 51.081 0.220 . 1 . . . . 111 PRO CD 4 18493 1 504 . 1 1 112 112 GLU C C 13 177.165 0.300 . 1 . . . . 112 GLU C 1 18493 1 505 . 1 1 113 113 TRP H H 1 9.706 0.060 . 1 . . . . 113 TRP HN 3 18493 1 506 . 1 1 113 113 TRP CA C 13 53.381 0.091 . 1 . . . . 113 TRP CA 2 18493 1 507 . 1 1 113 113 TRP N N 15 111.820 0.076 . 1 . . . . 113 TRP N 3 18493 1 508 . 1 1 114 114 LEU CB C 13 41.351 0.300 . 1 . . . A 114 LEU CB 1 18493 1 509 . 1 1 115 115 PRO CA C 13 61.148 0.061 . 1 . . . A 115 PRO CA 2 18493 1 510 . 1 1 115 115 PRO CB C 13 30.280 0.008 . 1 . . . A 115 PRO CB 2 18493 1 511 . 1 1 115 115 PRO CG C 13 26.706 0.066 . 1 . . . A 115 PRO CG 2 18493 1 512 . 1 1 115 115 PRO CD C 13 49.865 0.001 . 1 . . . A 115 PRO CD 2 18493 1 513 . 1 1 116 116 LEU C C 13 178.163 0.059 . 1 . . . A 116 LEU C 3 18493 1 514 . 1 1 116 116 LEU CA C 13 58.746 0.037 . 1 . . . A 116 LEU CA 2 18493 1 515 . 1 1 116 116 LEU CB C 13 42.932 0.300 . 1 . . . A 116 LEU CB 1 18493 1 516 . 1 1 116 116 LEU CG C 13 26.521 0.300 . 1 . . . A 116 LEU CG 1 18493 1 517 . 1 1 117 117 ASP C C 13 177.528 0.082 . 1 . . . A 117 ASP C 2 18493 1 518 . 1 1 117 117 ASP CB C 13 41.252 0.054 . 1 . . . A 117 ASP CB 2 18493 1 519 . 1 1 117 117 ASP N N 15 116.302 0.080 . 1 . . . A 117 ASP N 3 18493 1 520 . 1 1 118 118 LYS H H 1 7.538 0.036 . 1 . . . A 118 LYS H 3 18493 1 521 . 1 1 118 118 LYS CD C 13 27.953 0.098 . 1 . . . A 118 LYS CD 2 18493 1 522 . 1 1 118 118 LYS N N 15 118.983 0.119 . 1 . . . A 118 LYS N 4 18493 1 523 . 1 1 119 119 TRP C C 13 177.867 0.300 . 1 . . . A 119 TRP C 1 18493 1 524 . 1 1 120 120 VAL H H 1 8.936 0.019 . 1 . . . A 120 VAL H 2 18493 1 525 . 1 1 120 120 VAL CA C 13 58.651 0.114 . 1 . . . A 120 VAL CA 7 18493 1 526 . 1 1 120 120 VAL CB C 13 31.821 0.110 . 1 . . . A 120 VAL CB 4 18493 1 527 . 1 1 120 120 VAL CG2 C 13 20.697 0.300 . 2 . . . A 120 VAL CG2 1 18493 1 528 . 1 1 120 120 VAL N N 15 113.149 0.024 . 1 . . . A 120 VAL N 2 18493 1 529 . 1 1 121 121 PRO C C 13 178.888 0.300 . 1 . . . A 121 PRO C 1 18493 1 530 . 1 1 121 121 PRO CA C 13 65.185 0.015 . 1 . . . A 121 PRO CA 3 18493 1 531 . 1 1 121 121 PRO CB C 13 31.781 0.162 . 1 . . . A 121 PRO CB 4 18493 1 532 . 1 1 121 121 PRO CG C 13 27.660 0.300 . 1 . . . A 121 PRO CG 1 18493 1 533 . 1 1 121 121 PRO CD C 13 50.590 0.079 . 1 . . . A 121 PRO CD 8 18493 1 534 . 1 1 122 122 GLN H H 1 9.809 0.005 . 1 . . . A 122 GLN H 2 18493 1 535 . 1 1 122 122 GLN C C 13 174.326 0.300 . 1 . . . A 122 GLN C 1 18493 1 536 . 1 1 122 122 GLN CA C 13 58.463 0.300 . 1 . . . A 122 GLN CA 1 18493 1 537 . 1 1 122 122 GLN N N 15 116.304 0.039 . 1 . . . A 122 GLN N 2 18493 1 538 . 1 1 123 123 VAL H H 1 8.219 0.004 . 1 . . . A 123 VAL H 2 18493 1 539 . 1 1 123 123 VAL C C 13 175.777 0.065 . 1 . . . A 123 VAL C 2 18493 1 540 . 1 1 123 123 VAL CA C 13 61.689 0.292 . 1 . . . A 123 VAL CA 8 18493 1 541 . 1 1 123 123 VAL CB C 13 35.373 0.087 . 1 . . . A 123 VAL CB 4 18493 1 542 . 1 1 123 123 VAL CG2 C 13 21.181 0.300 . 2 . . . A 123 VAL CG2 1 18493 1 543 . 1 1 123 123 VAL N N 15 113.254 0.054 . 1 . . . A 123 VAL N 3 18493 1 544 . 1 1 124 124 PHE C C 13 172.759 0.249 . 1 . . . A 124 PHE C 4 18493 1 545 . 1 1 124 124 PHE CB C 13 39.318 0.300 . 1 . . . A 124 PHE CB 1 18493 1 546 . 1 1 124 124 PHE N N 15 112.242 0.017 . 1 . . . A 124 PHE N 2 18493 1 547 . 1 1 125 125 VAL H H 1 7.799 0.022 . 1 . . . A 125 VAL H 3 18493 1 548 . 1 1 125 125 VAL C C 13 177.034 0.300 . 1 . . . A 125 VAL C 1 18493 1 549 . 1 1 125 125 VAL CA C 13 61.950 0.164 . 1 . . . A 125 VAL CA 7 18493 1 550 . 1 1 125 125 VAL CB C 13 33.376 0.164 . 1 . . . A 125 VAL CB 2 18493 1 551 . 1 1 125 125 VAL CG1 C 13 24.379 0.300 . 2 . . . A 125 VAL CG1 1 18493 1 552 . 1 1 125 125 VAL CG2 C 13 21.389 0.300 . 2 . . . A 125 VAL CG2 1 18493 1 553 . 1 1 125 125 VAL N N 15 115.233 0.352 . 1 . . . A 125 VAL N 7 18493 1 554 . 1 1 126 126 ALA H H 1 9.014 0.030 . 1 . . . A 126 ALA H 3 18493 1 555 . 1 1 126 126 ALA C C 13 175.920 0.300 . 1 . . . A 126 ALA C 1 18493 1 556 . 1 1 126 126 ALA CA C 13 54.493 0.067 . 1 . . . A 126 ALA CA 8 18493 1 557 . 1 1 126 126 ALA CB C 13 17.215 0.018 . 1 . . . A 126 ALA CB 6 18493 1 558 . 1 1 126 126 ALA N N 15 130.709 0.039 . 1 . . . A 126 ALA N 4 18493 1 559 . 1 1 127 127 SER H H 1 8.145 0.026 . 1 . . . A 127 SER H 2 18493 1 560 . 1 1 127 127 SER CA C 13 58.101 0.300 . 1 . . . A 127 SER CA 1 18493 1 561 . 1 1 127 127 SER CB C 13 64.539 0.300 . 1 . . . A 127 SER CB 1 18493 1 562 . 1 1 127 127 SER N N 15 112.716 0.005 . 1 . . . A 127 SER N 2 18493 1 563 . 1 1 128 128 GLY H H 1 8.595 0.058 . 1 . . . A 128 GLY H 2 18493 1 564 . 1 1 128 128 GLY C C 13 177.047 0.300 . 1 . . . A 128 GLY C 1 18493 1 565 . 1 1 128 128 GLY CA C 13 46.296 0.123 . 1 . . . A 128 GLY CA 2 18493 1 566 . 1 1 128 128 GLY N N 15 106.487 0.017 . 1 . . . A 128 GLY N 2 18493 1 567 . 1 1 129 129 ASP C C 13 177.916 0.300 . 1 . . . A 129 ASP C 1 18493 1 568 . 1 1 129 129 ASP CB C 13 43.975 0.134 . 1 . . . A 129 ASP CB 2 18493 1 569 . 1 1 130 130 CYS H H 1 9.948 0.003 . 1 . . . A 130 CYS H 2 18493 1 570 . 1 1 130 130 CYS C C 13 173.312 0.300 . 1 . . . A 130 CYS C 1 18493 1 571 . 1 1 130 130 CYS CA C 13 64.581 0.074 . 1 . . . A 130 CYS CA 2 18493 1 572 . 1 1 130 130 CYS CB C 13 42.879 0.043 . 1 . . . A 130 CYS CB 2 18493 1 573 . 1 1 130 130 CYS N N 15 122.984 0.016 . 1 . . . A 130 CYS N 2 18493 1 574 . 1 1 131 131 ALA H H 1 9.869 0.029 . 1 . . . A 131 ALA H 2 18493 1 575 . 1 1 131 131 ALA CA C 13 52.640 0.300 . 1 . . . A 131 ALA CA 1 18493 1 576 . 1 1 131 131 ALA CB C 13 18.497 0.300 . 1 . . . A 131 ALA CB 1 18493 1 577 . 1 1 131 131 ALA N N 15 121.534 0.128 . 1 . . . A 131 ALA N 2 18493 1 578 . 1 1 136 136 ASP C C 13 172.916 0.300 . 1 . . . A 136 ASP C 1 18493 1 579 . 1 1 137 137 PHE H H 1 8.959 0.005 . 1 . . . A 137 PHE H 2 18493 1 580 . 1 1 137 137 PHE CA C 13 57.310 0.300 . 1 . . . A 137 PHE CA 1 18493 1 581 . 1 1 137 137 PHE CB C 13 42.927 0.300 . 1 . . . A 137 PHE CB 1 18493 1 582 . 1 1 137 137 PHE N N 15 117.677 0.047 . 1 . . . A 137 PHE N 2 18493 1 583 . 1 1 138 138 LEU CB C 13 43.547 0.300 . 1 . . . A 138 LEU CB 1 18493 1 584 . 1 1 139 139 GLY C C 13 176.262 0.300 . 1 . . . A 139 GLY C 1 18493 1 585 . 1 1 139 139 GLY CA C 13 46.123 0.300 . 1 . . . A 139 GLY CA 1 18493 1 586 . 1 1 140 140 LEU CB C 13 40.503 0.012 . 1 . . . A 140 LEU CB 2 18493 1 587 . 1 1 140 140 LEU N N 15 124.207 0.300 . 1 . . . A 140 LEU N 1 18493 1 588 . 1 1 142 142 MET CA C 13 56.442 0.300 . 1 . . . A 142 MET CA 1 18493 1 589 . 1 1 143 143 PRO CA C 13 63.254 0.300 . 1 . . . A 143 PRO CA 1 18493 1 590 . 1 1 143 143 PRO CD C 13 51.480 0.002 . 1 . . . A 143 PRO CD 2 18493 1 591 . 1 1 144 144 GLN C C 13 177.307 0.300 . 1 . . . A 144 GLN C 1 18493 1 592 . 1 1 145 145 TRP H H 1 8.386 0.037 . 1 . . . A 145 TRP H 2 18493 1 593 . 1 1 145 145 TRP C C 13 178.709 0.579 . 1 . . . A 145 TRP C 4 18493 1 594 . 1 1 145 145 TRP CA C 13 59.535 0.203 . 1 . . . A 145 TRP CA 2 18493 1 595 . 1 1 145 145 TRP CB C 13 29.345 0.087 . 1 . . . A 145 TRP CB 4 18493 1 596 . 1 1 145 145 TRP N N 15 120.795 0.006 . 1 . . . A 145 TRP N 2 18493 1 597 . 1 1 146 146 LEU H H 1 9.033 0.008 . 1 . . . A 146 LEU H 3 18493 1 598 . 1 1 146 146 LEU C C 13 177.115 0.169 . 1 . . . A 146 LEU C 9 18493 1 599 . 1 1 146 146 LEU CA C 13 57.793 0.385 . 1 . . . A 146 LEU CA 9 18493 1 600 . 1 1 146 146 LEU CB C 13 41.616 0.072 . 1 . . . A 146 LEU CB 3 18493 1 601 . 1 1 146 146 LEU CG C 13 26.151 0.009 . 1 . . . A 146 LEU CG 2 18493 1 602 . 1 1 146 146 LEU CD1 C 13 22.670 0.300 . 2 . . . A 146 LEU CD1 1 18493 1 603 . 1 1 146 146 LEU CD2 C 13 22.670 0.300 . 2 . . . A 146 LEU CD2 1 18493 1 604 . 1 1 146 146 LEU N N 15 118.336 0.119 . 1 . . . A 146 LEU N 12 18493 1 605 . 1 1 147 147 LEU H H 1 8.480 0.032 . 1 . . . A 147 LEU H 3 18493 1 606 . 1 1 147 147 LEU C C 13 178.787 0.168 . 1 . . . A 147 LEU C 10 18493 1 607 . 1 1 147 147 LEU CA C 13 58.052 0.132 . 1 . . . A 147 LEU CA 14 18493 1 608 . 1 1 147 147 LEU CB C 13 41.047 0.213 . 1 . . . A 147 LEU CB 5 18493 1 609 . 1 1 147 147 LEU CG C 13 27.480 0.266 . 1 . . . A 147 LEU CG 5 18493 1 610 . 1 1 147 147 LEU CD1 C 13 24.363 0.026 . 2 . . . A 147 LEU CD1 2 18493 1 611 . 1 1 147 147 LEU CD2 C 13 22.324 0.300 . 2 . . . A 147 LEU CD2 1 18493 1 612 . 1 1 147 147 LEU N N 15 123.772 0.148 . 1 . . . A 147 LEU N 19 18493 1 613 . 1 1 148 148 GLY C C 13 174.667 0.213 . 1 . . . A 148 GLY C 9 18493 1 614 . 1 1 148 148 GLY CA C 13 48.102 0.256 . 1 . . . A 148 GLY CA 22 18493 1 615 . 1 1 148 148 GLY N N 15 104.457 0.229 . 1 . . . A 148 GLY N 13 18493 1 616 . 1 1 149 149 ILE C C 13 177.725 0.126 . 1 . . . A 149 ILE C 8 18493 1 617 . 1 1 149 149 ILE CA C 13 65.997 0.108 . 1 . . . A 149 ILE CA 54 18493 1 618 . 1 1 149 149 ILE CB C 13 38.262 0.126 . 1 . . . A 149 ILE CB 33 18493 1 619 . 1 1 149 149 ILE CG1 C 13 30.092 0.146 . 1 . . . A 149 ILE CG1 25 18493 1 620 . 1 1 149 149 ILE CG2 C 13 18.028 0.134 . 1 . . . A 149 ILE CG2 33 18493 1 621 . 1 1 149 149 ILE CD1 C 13 14.653 0.089 . 1 . . . A 149 ILE CD1 35 18493 1 622 . 1 1 149 149 ILE N N 15 121.815 0.134 . 1 . . . A 149 ILE N 14 18493 1 623 . 1 1 150 150 PHE C C 13 178.929 0.079 . 1 . . . A 150 PHE C 6 18493 1 624 . 1 1 150 150 PHE CA C 13 63.591 0.298 . 1 . . . A 150 PHE CA 9 18493 1 625 . 1 1 150 150 PHE CB C 13 38.417 0.314 . 1 . . . A 150 PHE CB 8 18493 1 626 . 1 1 150 150 PHE N N 15 118.894 0.361 . 1 . . . A 150 PHE N 9 18493 1 627 . 1 1 151 151 ILE C C 13 177.347 0.160 . 1 . . . A 151 ILE C 15 18493 1 628 . 1 1 151 151 ILE CA C 13 66.478 0.132 . 1 . . . A 151 ILE CA 21 18493 1 629 . 1 1 151 151 ILE CB C 13 37.302 0.117 . 1 . . . A 151 ILE CB 15 18493 1 630 . 1 1 151 151 ILE CG1 C 13 30.856 0.230 . 1 . . . A 151 ILE CG1 5 18493 1 631 . 1 1 151 151 ILE CG2 C 13 17.909 0.177 . 1 . . . A 151 ILE CG2 13 18493 1 632 . 1 1 151 151 ILE CD1 C 13 14.457 0.178 . 1 . . . A 151 ILE CD1 9 18493 1 633 . 1 1 151 151 ILE N N 15 120.535 0.091 . 1 . . . A 151 ILE N 5 18493 1 634 . 1 1 152 152 ALA C C 13 179.165 0.094 . 1 . . . A 152 ALA C 8 18493 1 635 . 1 1 152 152 ALA CA C 13 56.272 0.115 . 1 . . . A 152 ALA CA 17 18493 1 636 . 1 1 152 152 ALA CB C 13 17.993 0.103 . 1 . . . A 152 ALA CB 13 18493 1 637 . 1 1 152 152 ALA N N 15 122.855 0.199 . 1 . . . A 152 ALA N 17 18493 1 638 . 1 1 153 153 TYR H H 1 8.680 0.007 . 1 . . . A 153 TYR H 2 18493 1 639 . 1 1 153 153 TYR C C 13 179.682 0.090 . 1 . . . A 153 TYR C 5 18493 1 640 . 1 1 153 153 TYR CA C 13 64.391 0.144 . 1 . . . A 153 TYR CA 9 18493 1 641 . 1 1 153 153 TYR CB C 13 39.553 0.044 . 1 . . . A 153 TYR CB 3 18493 1 642 . 1 1 153 153 TYR N N 15 116.156 0.294 . 1 . . . A 153 TYR N 11 18493 1 643 . 1 1 154 154 LEU C C 13 177.336 0.292 . 1 . . . A 154 LEU C 12 18493 1 644 . 1 1 154 154 LEU CA C 13 57.905 0.125 . 1 . . . A 154 LEU CA 7 18493 1 645 . 1 1 154 154 LEU CB C 13 42.009 0.114 . 1 . . . A 154 LEU CB 6 18493 1 646 . 1 1 154 154 LEU CG C 13 27.063 0.030 . 1 . . . A 154 LEU CG 2 18493 1 647 . 1 1 154 154 LEU CD1 C 13 23.943 0.300 . 2 . . . A 154 LEU CD1 1 18493 1 648 . 1 1 154 154 LEU CD2 C 13 22.797 0.300 . 2 . . . A 154 LEU CD2 1 18493 1 649 . 1 1 154 154 LEU N N 15 122.327 0.136 . 1 . . . A 154 LEU N 6 18493 1 650 . 1 1 155 155 ILE C C 13 177.589 0.123 . 1 . . . A 155 ILE C 8 18493 1 651 . 1 1 155 155 ILE CA C 13 65.996 0.180 . 1 . . . A 155 ILE CA 19 18493 1 652 . 1 1 155 155 ILE CB C 13 38.179 0.112 . 1 . . . A 155 ILE CB 9 18493 1 653 . 1 1 155 155 ILE CG1 C 13 31.527 0.034 . 1 . . . A 155 ILE CG1 2 18493 1 654 . 1 1 155 155 ILE CG2 C 13 17.923 0.076 . 1 . . . A 155 ILE CG2 8 18493 1 655 . 1 1 155 155 ILE CD1 C 13 14.649 0.300 . 1 . . . A 155 ILE CD1 1 18493 1 656 . 1 1 155 155 ILE N N 15 119.079 0.131 . 1 . . . A 155 ILE N 15 18493 1 657 . 1 1 156 156 VAL C C 13 176.163 0.083 . 1 . . . A 156 VAL C 15 18493 1 658 . 1 1 156 156 VAL CA C 13 67.664 0.259 . 1 . . . A 156 VAL CA 16 18493 1 659 . 1 1 156 156 VAL CB C 13 31.694 0.103 . 1 . . . A 156 VAL CB 6 18493 1 660 . 1 1 156 156 VAL CG1 C 13 23.147 0.045 . 2 . . . A 156 VAL CG1 4 18493 1 661 . 1 1 156 156 VAL CG2 C 13 24.386 0.096 . 2 . . . A 156 VAL CG2 2 18493 1 662 . 1 1 156 156 VAL N N 15 117.551 0.129 . 1 . . . A 156 VAL N 15 18493 1 663 . 1 1 157 157 ALA C C 13 179.076 0.203 . 1 . . . A 157 ALA C 13 18493 1 664 . 1 1 157 157 ALA CA C 13 54.803 0.135 . 1 . . . A 157 ALA CA 25 18493 1 665 . 1 1 157 157 ALA CB C 13 16.120 0.235 . 1 . . . A 157 ALA CB 26 18493 1 666 . 1 1 157 157 ALA N N 15 122.470 0.107 . 1 . . . A 157 ALA N 18 18493 1 667 . 1 1 158 158 VAL C C 13 177.491 0.045 . 1 . . . A 158 VAL C 3 18493 1 668 . 1 1 158 158 VAL CA C 13 67.160 0.189 . 1 . . . A 158 VAL CA 33 18493 1 669 . 1 1 158 158 VAL CB C 13 31.331 0.082 . 1 . . . A 158 VAL CB 16 18493 1 670 . 1 1 158 158 VAL CG1 C 13 23.576 0.075 . 2 . . . A 158 VAL CG1 12 18493 1 671 . 1 1 158 158 VAL CG2 C 13 21.967 0.129 . 2 . . . A 158 VAL CG2 9 18493 1 672 . 1 1 158 158 VAL N N 15 116.045 0.145 . 1 . . . A 158 VAL N 19 18493 1 673 . 1 1 159 159 LEU C C 13 178.312 0.157 . 1 . . . A 159 LEU C 8 18493 1 674 . 1 1 159 159 LEU CA C 13 57.443 0.243 . 1 . . . A 159 LEU CA 11 18493 1 675 . 1 1 159 159 LEU CB C 13 41.567 0.272 . 1 . . . A 159 LEU CB 13 18493 1 676 . 1 1 159 159 LEU CG C 13 26.578 0.379 . 1 . . . A 159 LEU CG 4 18493 1 677 . 1 1 159 159 LEU CD1 C 13 22.883 0.300 . 2 . . . A 159 LEU CD1 1 18493 1 678 . 1 1 159 159 LEU CD2 C 13 22.883 0.300 . 2 . . . A 159 LEU CD2 1 18493 1 679 . 1 1 159 159 LEU N N 15 116.776 0.142 . 1 . . . A 159 LEU N 8 18493 1 680 . 1 1 160 160 VAL C C 13 177.508 0.079 . 1 . . . A 160 VAL C 3 18493 1 681 . 1 1 160 160 VAL CA C 13 67.366 0.181 . 1 . . . A 160 VAL CA 15 18493 1 682 . 1 1 160 160 VAL CB C 13 31.106 0.253 . 1 . . . A 160 VAL CB 4 18493 1 683 . 1 1 160 160 VAL CG1 C 13 23.638 0.193 . 2 . . . A 160 VAL CG1 4 18493 1 684 . 1 1 160 160 VAL CG2 C 13 21.784 0.300 . 2 . . . A 160 VAL CG2 1 18493 1 685 . 1 1 160 160 VAL N N 15 118.890 0.153 . 1 . . . A 160 VAL N 14 18493 1 686 . 1 1 161 161 VAL C C 13 176.607 0.060 . 1 . . . A 161 VAL C 2 18493 1 687 . 1 1 161 161 VAL CA C 13 67.614 0.156 . 1 . . . A 161 VAL CA 12 18493 1 688 . 1 1 161 161 VAL CB C 13 31.646 0.056 . 1 . . . A 161 VAL CB 3 18493 1 689 . 1 1 161 161 VAL CG1 C 13 23.255 0.068 . 2 . . . A 161 VAL CG1 2 18493 1 690 . 1 1 161 161 VAL CG2 C 13 21.814 0.205 . 2 . . . A 161 VAL CG2 7 18493 1 691 . 1 1 161 161 VAL N N 15 118.360 0.217 . 1 . . . A 161 VAL N 11 18493 1 692 . 1 1 162 162 ILE C C 13 176.885 0.300 . 1 . . . A 162 ILE C 1 18493 1 693 . 1 1 162 162 ILE CA C 13 63.409 0.074 . 1 . . . A 162 ILE CA 3 18493 1 694 . 1 1 162 162 ILE CB C 13 39.685 0.186 . 1 . . . A 162 ILE CB 3 18493 1 695 . 1 1 162 162 ILE CG1 C 13 31.399 0.300 . 1 . . . A 162 ILE CG1 1 18493 1 696 . 1 1 162 162 ILE CG2 C 13 18.101 0.045 . 1 . . . A 162 ILE CG2 2 18493 1 697 . 1 1 163 163 SER H H 1 9.427 0.022 . 1 . . . . 163 SER HN 2 18493 1 698 . 1 1 163 163 SER CA C 13 60.441 0.222 . 1 . . . . 163 SER CA 2 18493 1 699 . 1 1 163 163 SER CB C 13 63.788 0.300 . 1 . . . . 163 SER CB 1 18493 1 700 . 1 1 163 163 SER N N 15 112.832 0.300 . 1 . . . . 163 SER N 2 18493 1 701 . 1 1 165 165 PRO CA C 13 62.249 0.011 . 1 . . . . 165 PRO CA 2 18493 1 702 . 1 1 165 165 PRO CD C 13 51.723 0.128 . 1 . . . . 165 PRO CD 3 18493 1 703 . 1 1 165 165 PRO N N 15 134.035 0.022 . 1 . . . . 165 PRO N 3 18493 1 704 . 1 1 168 168 ALA CA C 13 51.195 0.007 . 1 . . . . 168 ALA CA 6 18493 1 705 . 1 1 168 168 ALA CB C 13 18.891 0.003 . 1 . . . . 168 ALA CB 6 18493 1 706 . 4 4 1 1 UQ1 C1 C 13 135.534 0.060 . 1 . . . . 501 UQ8 C1 4 18493 1 707 . 4 4 1 1 UQ1 C10 C 13 20.609 0.118 . 4 . . . . 501 UQ8 C10 7 18493 1 708 . 4 4 1 1 UQ1 C11 C 13 43.400 0.643 . 4 . . . . 501 UQ8 C11 9 18493 1 709 . 4 4 1 1 UQ1 C12 C 13 30.300 0.643 . 4 . . . . 501 UQ8 C12 9 18493 1 710 . 4 4 1 1 UQ1 C15 C 13 20.700 0.643 . 4 . . . . 501 UQ8 C15 9 18493 1 711 . 4 4 1 1 UQ1 C16 C 13 43.000 0.643 . 4 . . . . 501 UQ8 C16 9 18493 1 712 . 4 4 1 1 UQ1 C17 C 13 29.800 0.643 . 4 . . . . 501 UQ8 C17 9 18493 1 713 . 4 4 1 1 UQ1 C1M C 13 15.859 0.061 . 4 . . . . 501 UQ8 C1M 5 18493 1 714 . 4 4 1 1 UQ1 C2 C 13 154.709 0.300 . 1 . . . . 501 UQ8 C2 1 18493 1 715 . 4 4 1 1 UQ1 C20 C 13 20.200 0.643 . 4 . . . . 501 UQ8 C20 9 18493 1 716 . 4 4 1 1 UQ1 C21 C 13 42.600 0.643 . 4 . . . . 501 UQ8 C21 9 18493 1 717 . 4 4 1 1 UQ1 C22 C 13 29.300 0.643 . 4 . . . . 501 UQ8 C22 9 18493 1 718 . 4 4 1 1 UQ1 C25 C 13 19.700 0.643 . 4 . . . . 501 UQ8 C25 9 18493 1 719 . 4 4 1 1 UQ1 C26 C 13 42.200 0.643 . 4 . . . . 501 UQ8 C26 9 18493 1 720 . 4 4 1 1 UQ1 C27 C 13 28.800 0.643 . 4 . . . . 501 UQ8 C27 9 18493 1 721 . 4 4 1 1 UQ1 C3 C 13 142.410 0.300 . 4 . . . . 501 UQ8 C3 1 18493 1 722 . 4 4 1 1 UQ1 C30 C 13 19.200 0.643 . 4 . . . . 501 UQ8 C30 9 18493 1 723 . 4 4 1 1 UQ1 C31 C 13 41.800 0.643 . 4 . . . . 501 UQ8 C31 9 18493 1 724 . 4 4 1 1 UQ1 C32 C 13 28.300 0.643 . 4 . . . . 501 UQ8 C32 9 18493 1 725 . 4 4 1 1 UQ1 C35 C 13 18.700 0.643 . 4 . . . . 501 UQ8 C35 9 18493 1 726 . 4 4 1 1 UQ1 C36 C 13 41.400 0.643 . 4 . . . . 501 UQ8 C36 9 18493 1 727 . 4 4 1 1 UQ1 C37 C 13 27.800 0.643 . 4 . . . . 501 UQ8 C37 9 18493 1 728 . 4 4 1 1 UQ1 C38 C 13 124.750 0.300 . 4 . . . . 501 UQ8 C38 1 18493 1 729 . 4 4 1 1 UQ1 C39 C 13 136.254 0.051 . 4 . . . . 501 UQ8 C39 2 18493 1 730 . 4 4 1 1 UQ1 C3M C 13 63.804 0.193 . 4 . . . . 501 UQ8 C3M 2 18493 1 731 . 4 4 1 1 UQ1 C4 C 13 142.410 0.300 . 1 . . . . 501 UQ8 C4 1 18493 1 732 . 4 4 1 1 UQ1 C40 C 13 18.200 0.643 . 4 . . . . 501 UQ8 C40 9 18493 1 733 . 4 4 1 1 UQ1 C41 C 13 41.517 0.095 . 4 . . . . 501 UQ8 C41 3 18493 1 734 . 4 4 1 1 UQ1 C42 C 13 28.260 0.020 . 4 . . . . 501 UQ8 C42 2 18493 1 735 . 4 4 1 1 UQ1 C43 C 13 126.157 0.271 . 4 . . . . 501 UQ8 C43 6 18493 1 736 . 4 4 1 1 UQ1 C44 C 13 135.212 0.112 . 4 . . . . 501 UQ8 C44 8 18493 1 737 . 4 4 1 1 UQ1 C45 C 13 17.920 0.069 . 4 . . . . 501 UQ8 C45 7 18493 1 738 . 4 4 1 1 UQ1 C46 C 13 28.177 0.074 . 4 . . . . 501 UQ8 C46 5 18493 1 739 . 4 4 1 1 UQ1 C4M C 13 63.804 0.193 . 4 . . . . 501 UQ8 C4M 2 18493 1 740 . 4 4 1 1 UQ1 C5 C 13 154.709 0.300 . 4 . . . . 501 UQ8 C5 1 18493 1 741 . 4 4 1 1 UQ1 C6 C 13 127.427 0.300 . 1 . . . . 501 UQ8 C6 1 18493 1 742 . 4 4 1 1 UQ1 C7 C 13 26.580 0.011 . 4 . . . . 501 UQ8 C7 3 18493 1 743 . 4 4 1 1 UQ1 C8 C 13 123.680 0.098 . 4 . . . . 501 UQ8 C8 5 18493 1 744 . 4 4 1 1 UQ1 C9 C 13 140.100 0.117 . 4 . . . . 501 UQ8 C9 5 18493 1 stop_ save_