################################### # 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_chem_shift_list_DsbA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_DsbA _Assigned_chem_shift_list.Entry_ID 18395 _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 '3D CANH' . . . 18395 1 2 '3D CONH' . . . 18395 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 13 179.379 0.300 . 1 . . . . 6 ASN C . 18395 1 2 . 1 1 7 7 GLN H H 1 9.338 0.026 . 1 . . . . 7 GLN H . 18395 1 3 . 1 1 7 7 GLN C C 13 180.296 0.300 . 1 . . . . 7 GLN C . 18395 1 4 . 1 1 7 7 GLN CA C 13 57.933 0.300 . 1 . . . . 7 GLN CA . 18395 1 5 . 1 1 7 7 GLN N N 15 120.575 0.085 . 1 . . . . 7 GLN N . 18395 1 6 . 1 1 8 8 ALA H H 1 9.436 0.052 . 1 . . . . 8 ALA H . 18395 1 7 . 1 1 8 8 ALA CA C 13 54.704 0.300 . 1 . . . . 8 ALA CA . 18395 1 8 . 1 1 8 8 ALA N N 15 123.657 0.059 . 1 . . . . 8 ALA N . 18395 1 9 . 1 1 9 9 SER C C 13 174.107 0.300 . 1 . . . . 9 SER C . 18395 1 10 . 1 1 10 10 GLN H H 1 7.835 0.030 . 1 . . . . 10 GLN H . 18395 1 11 . 1 1 10 10 GLN C C 13 174.766 0.300 . 1 . . . . 10 GLN C . 18395 1 12 . 1 1 10 10 GLN CA C 13 56.086 0.300 . 1 . . . . 10 GLN CA . 18395 1 13 . 1 1 10 10 GLN N N 15 119.421 0.018 . 1 . . . . 10 GLN N . 18395 1 14 . 1 1 11 11 GLY H H 1 8.433 0.005 . 1 . . . . 11 GLY H . 18395 1 15 . 1 1 11 11 GLY CA C 13 43.935 0.300 . 1 . . . . 11 GLY CA . 18395 1 16 . 1 1 11 11 GLY N N 15 108.456 0.067 . 1 . . . . 11 GLY N . 18395 1 17 . 1 1 13 13 GLY C C 13 175.091 0.300 . 1 . . . . 13 GLY C . 18395 1 18 . 1 1 14 14 ALA H H 1 9.285 0.003 . 1 . . . . 14 ALA H . 18395 1 19 . 1 1 14 14 ALA C C 13 179.173 0.300 . 1 . . . . 14 ALA C . 18395 1 20 . 1 1 14 14 ALA CA C 13 55.745 0.300 . 1 . . . . 14 ALA CA . 18395 1 21 . 1 1 14 14 ALA N N 15 123.181 0.019 . 1 . . . . 14 ALA N . 18395 1 22 . 1 1 15 15 TRP H H 1 7.091 0.008 . 1 . . . . 15 TRP H . 18395 1 23 . 1 1 15 15 TRP C C 13 179.425 0.300 . 1 . . . . 15 TRP C . 18395 1 24 . 1 1 15 15 TRP CA C 13 59.674 0.300 . 1 . . . . 15 TRP CA . 18395 1 25 . 1 1 15 15 TRP N N 15 116.733 0.031 . 1 . . . . 15 TRP N . 18395 1 26 . 1 1 16 16 LEU H H 1 9.145 0.030 . 1 . . . . 16 LEU H . 18395 1 27 . 1 1 16 16 LEU CA C 13 57.735 0.300 . 1 . . . . 16 LEU CA . 18395 1 28 . 1 1 16 16 LEU N N 15 118.718 0.081 . 1 . . . . 16 LEU N . 18395 1 29 . 1 1 18 18 MET C C 13 180.743 0.300 . 1 . . . . 18 MET C . 18395 1 30 . 1 1 19 19 ALA H H 1 9.398 0.009 . 1 . . . . 19 ALA H . 18395 1 31 . 1 1 19 19 ALA CA C 13 54.698 0.300 . 1 . . . . 19 ALA CA . 18395 1 32 . 1 1 19 19 ALA N N 15 123.824 0.068 . 1 . . . . 19 ALA N . 18395 1 33 . 1 1 22 22 ALA C C 13 179.256 0.300 . 1 . . . . 22 ALA C . 18395 1 34 . 1 1 23 23 LEU H H 1 8.646 0.024 . 1 . . . . 23 LEU H . 18395 1 35 . 1 1 23 23 LEU CA C 13 57.528 0.300 . 1 . . . . 23 LEU CA . 18395 1 36 . 1 1 23 23 LEU N N 15 119.008 0.002 . 1 . . . . 23 LEU N . 18395 1 37 . 1 1 24 24 ALA C C 13 180.186 0.300 . 1 . . . . 24 ALA C . 18395 1 38 . 1 1 25 25 LEU H H 1 9.179 0.015 . 1 . . . . 25 LEU H . 18395 1 39 . 1 1 25 25 LEU CA C 13 58.045 0.300 . 1 . . . . 25 LEU CA . 18395 1 40 . 1 1 25 25 LEU N N 15 119.465 0.014 . 1 . . . . 25 LEU N . 18395 1 41 . 1 1 26 26 GLU H H 1 8.818 0.030 . 1 . . . . 26 GLU H . 18395 1 42 . 1 1 26 26 GLU C C 13 179.199 0.300 . 1 . . . . 26 GLU C . 18395 1 43 . 1 1 26 26 GLU CA C 13 59.290 0.300 . 1 . . . . 26 GLU CA . 18395 1 44 . 1 1 26 26 GLU N N 15 120.120 0.300 . 1 . . . . 26 GLU N . 18395 1 45 . 1 1 27 27 LEU H H 1 9.367 0.016 . 1 . . . . 27 LEU H . 18395 1 46 . 1 1 27 27 LEU CA C 13 57.379 0.300 . 1 . . . . 27 LEU CA . 18395 1 47 . 1 1 27 27 LEU N N 15 119.866 0.074 . 1 . . . . 27 LEU N . 18395 1 48 . 1 1 28 28 THR C C 13 176.033 0.300 . 1 . . . . 28 THR C . 18395 1 49 . 1 1 29 29 ALA H H 1 8.302 0.020 . 1 . . . . 29 ALA H . 18395 1 50 . 1 1 29 29 ALA C C 13 179.409 0.300 . 1 . . . . 29 ALA C . 18395 1 51 . 1 1 29 29 ALA CA C 13 56.027 0.300 . 1 . . . . 29 ALA CA . 18395 1 52 . 1 1 29 29 ALA N N 15 122.847 0.154 . 1 . . . . 29 ALA N . 18395 1 53 . 1 1 30 30 LEU H H 1 8.412 0.023 . 1 . . . . 30 LEU H . 18395 1 54 . 1 1 30 30 LEU C C 13 178.270 0.300 . 1 . . . . 30 LEU C . 18395 1 55 . 1 1 30 30 LEU CA C 13 57.535 0.300 . 1 . . . . 30 LEU CA . 18395 1 56 . 1 1 30 30 LEU N N 15 117.595 0.300 . 1 . . . . 30 LEU N . 18395 1 57 . 1 1 31 31 TRP H H 1 9.157 0.012 . 1 . . . . 31 TRP H . 18395 1 58 . 1 1 31 31 TRP C C 13 179.053 0.300 . 1 . . . . 31 TRP C . 18395 1 59 . 1 1 31 31 TRP CA C 13 61.335 0.300 . 1 . . . . 31 TRP CA . 18395 1 60 . 1 1 31 31 TRP N N 15 125.692 0.018 . 1 . . . . 31 TRP N . 18395 1 61 . 1 1 32 32 PHE H H 1 9.374 0.012 . 1 . . . . 32 PHE H . 18395 1 62 . 1 1 32 32 PHE CA C 13 60.503 0.300 . 1 . . . . 32 PHE CA . 18395 1 63 . 1 1 32 32 PHE N N 15 119.195 0.300 . 1 . . . . 32 PHE N . 18395 1 64 . 1 1 33 33 GLN C C 13 177.778 0.300 . 1 . . . . 33 GLN C . 18395 1 65 . 1 1 34 34 HIS H H 1 9.617 0.030 . 1 . . . . 34 HIS H . 18395 1 66 . 1 1 34 34 HIS CA C 13 58.962 0.300 . 1 . . . . 34 HIS CA . 18395 1 67 . 1 1 34 34 HIS N N 15 115.897 0.014 . 1 . . . . 34 HIS N . 18395 1 68 . 1 1 35 35 VAL C C 13 177.853 0.300 . 1 . . . . 35 VAL C . 18395 1 69 . 1 1 36 36 MET H H 1 7.591 0.033 . 1 . . . . 36 MET H . 18395 1 70 . 1 1 36 36 MET C C 13 175.905 0.300 . 1 . . . . 36 MET C . 18395 1 71 . 1 1 36 36 MET CA C 13 56.149 0.300 . 1 . . . . 36 MET CA . 18395 1 72 . 1 1 36 36 MET N N 15 114.145 0.036 . 1 . . . . 36 MET N . 18395 1 73 . 1 1 37 37 LEU H H 1 7.104 0.011 . 1 . . . . 37 LEU H . 18395 1 74 . 1 1 37 37 LEU CA C 13 55.909 0.300 . 1 . . . . 37 LEU CA . 18395 1 75 . 1 1 37 37 LEU N N 15 111.752 0.045 . 1 . . . . 37 LEU N . 18395 1 76 . 1 1 38 38 LEU C C 13 176.457 0.300 . 1 . . . . 38 LEU C . 18395 1 77 . 1 1 39 39 LYS H H 1 9.350 0.022 . 1 . . . . 39 LYS H . 18395 1 78 . 1 1 39 39 LYS CA C 13 53.399 0.300 . 1 . . . . 39 LYS CA . 18395 1 79 . 1 1 39 39 LYS N N 15 121.416 0.026 . 1 . . . . 39 LYS N . 18395 1 80 . 1 1 43 43 LEU C C 13 177.956 0.300 . 1 . . . . 43 LEU C . 18395 1 81 . 1 1 44 44 CYS H H 1 7.683 0.032 . 1 . . . . 44 CYS H . 18395 1 82 . 1 1 44 44 CYS CA C 13 59.567 0.300 . 1 . . . . 44 CYS CA . 18395 1 83 . 1 1 44 44 CYS N N 15 114.278 0.084 . 1 . . . . 44 CYS N . 18395 1 84 . 1 1 45 45 ILE C C 13 179.151 0.300 . 1 . . . . 45 ILE C . 18395 1 85 . 1 1 46 46 TYR H H 1 8.934 0.051 . 1 . . . . 46 TYR H . 18395 1 86 . 1 1 46 46 TYR C C 13 178.432 0.300 . 1 . . . . 46 TYR C . 18395 1 87 . 1 1 46 46 TYR CA C 13 59.091 0.300 . 1 . . . . 46 TYR CA . 18395 1 88 . 1 1 46 46 TYR N N 15 120.507 0.119 . 1 . . . . 46 TYR N . 18395 1 89 . 1 1 47 47 GLU H H 1 9.681 0.005 . 1 . . . . 47 GLU H . 18395 1 90 . 1 1 47 47 GLU C C 13 180.186 0.300 . 1 . . . . 47 GLU C . 18395 1 91 . 1 1 47 47 GLU CA C 13 58.991 0.300 . 1 . . . . 47 GLU CA . 18395 1 92 . 1 1 47 47 GLU N N 15 121.791 0.004 . 1 . . . . 47 GLU N . 18395 1 93 . 1 1 48 48 ARG H H 1 9.213 0.020 . 1 . . . . 48 ARG H . 18395 1 94 . 1 1 48 48 ARG CA C 13 60.570 0.300 . 1 . . . . 48 ARG CA . 18395 1 95 . 1 1 48 48 ARG N N 15 119.454 0.004 . 1 . . . . 48 ARG N . 18395 1 96 . 1 1 51 51 LEU C C 13 178.625 0.300 . 1 . . . . 51 LEU C . 18395 1 97 . 1 1 52 52 PHE H H 1 8.863 0.012 . 1 . . . . 52 PHE H . 18395 1 98 . 1 1 52 52 PHE C C 13 179.469 0.300 . 1 . . . . 52 PHE C . 18395 1 99 . 1 1 52 52 PHE CA C 13 62.624 0.300 . 1 . . . . 52 PHE CA . 18395 1 100 . 1 1 52 52 PHE N N 15 122.736 0.036 . 1 . . . . 52 PHE N . 18395 1 101 . 1 1 53 53 GLY H H 1 9.027 0.010 . 1 . . . . 53 GLY H . 18395 1 102 . 1 1 53 53 GLY C C 13 175.909 0.300 . 1 . . . . 53 GLY C . 18395 1 103 . 1 1 53 53 GLY CA C 13 48.047 0.300 . 1 . . . . 53 GLY CA . 18395 1 104 . 1 1 53 53 GLY N N 15 110.986 0.022 . 1 . . . . 53 GLY N . 18395 1 105 . 1 1 54 54 VAL H H 1 7.948 0.031 . 1 . . . . 54 VAL H . 18395 1 106 . 1 1 54 54 VAL C C 13 176.751 0.300 . 1 . . . . 54 VAL C . 18395 1 107 . 1 1 54 54 VAL CA C 13 67.713 0.300 . 1 . . . . 54 VAL CA . 18395 1 108 . 1 1 54 54 VAL N N 15 122.121 0.021 . 1 . . . . 54 VAL N . 18395 1 109 . 1 1 55 55 LEU H H 1 8.646 0.011 . 1 . . . . 55 LEU H . 18395 1 110 . 1 1 55 55 LEU CA C 13 57.821 0.300 . 1 . . . . 55 LEU CA . 18395 1 111 . 1 1 55 55 LEU N N 15 120.083 0.111 . 1 . . . . 55 LEU N . 18395 1 112 . 1 1 57 57 ALA C C 13 179.256 0.300 . 1 . . . . 57 ALA C . 18395 1 113 . 1 1 58 58 ALA H H 1 8.674 0.003 . 1 . . . . 58 ALA H . 18395 1 114 . 1 1 58 58 ALA CA C 13 54.823 0.300 . 1 . . . . 58 ALA CA . 18395 1 115 . 1 1 58 58 ALA N N 15 119.050 0.044 . 1 . . . . 58 ALA N . 18395 1 116 . 1 1 60 60 ILE C C 13 180.304 0.300 . 1 . . . . 60 ILE C . 18395 1 117 . 1 1 61 61 GLY H H 1 9.046 0.002 . 1 . . . . 61 GLY H . 18395 1 118 . 1 1 61 61 GLY C C 13 174.221 0.300 . 1 . . . . 61 GLY C . 18395 1 119 . 1 1 61 61 GLY CA C 13 45.805 0.300 . 1 . . . . 61 GLY CA . 18395 1 120 . 1 1 61 61 GLY N N 15 110.005 0.001 . 1 . . . . 61 GLY N . 18395 1 121 . 1 1 62 62 ALA H H 1 8.066 0.012 . 1 . . . . 62 ALA H . 18395 1 122 . 1 1 62 62 ALA CA C 13 53.391 0.300 . 1 . . . . 62 ALA CA . 18395 1 123 . 1 1 62 62 ALA N N 15 119.084 0.013 . 1 . . . . 62 ALA N . 18395 1 124 . 1 1 68 68 PRO C C 13 177.070 0.300 . 1 . . . . 68 PRO C . 18395 1 125 . 1 1 69 69 LEU H H 1 8.882 0.010 . 1 . . . . 69 LEU H . 18395 1 126 . 1 1 69 69 LEU C C 13 179.756 0.300 . 1 . . . . 69 LEU C . 18395 1 127 . 1 1 69 69 LEU CA C 13 57.516 0.300 . 1 . . . . 69 LEU CA . 18395 1 128 . 1 1 69 69 LEU N N 15 121.517 0.015 . 1 . . . . 69 LEU N . 18395 1 129 . 1 1 70 70 ARG H H 1 8.177 0.011 . 1 . . . . 70 ARG H . 18395 1 130 . 1 1 70 70 ARG C C 13 177.925 0.300 . 1 . . . . 70 ARG C . 18395 1 131 . 1 1 70 70 ARG CA C 13 59.142 0.300 . 1 . . . . 70 ARG CA . 18395 1 132 . 1 1 70 70 ARG N N 15 114.237 0.010 . 1 . . . . 70 ARG N . 18395 1 133 . 1 1 71 71 TYR H H 1 8.136 0.015 . 1 . . . . 71 TYR H . 18395 1 134 . 1 1 71 71 TYR CA C 13 58.808 0.300 . 1 . . . . 71 TYR CA . 18395 1 135 . 1 1 71 71 TYR N N 15 121.740 0.015 . 1 . . . . 71 TYR N . 18395 1 136 . 1 1 72 72 VAL C C 13 177.807 0.300 . 1 . . . . 72 VAL C . 18395 1 137 . 1 1 73 73 ALA H H 1 8.994 0.002 . 1 . . . . 73 ALA H . 18395 1 138 . 1 1 73 73 ALA C C 13 179.897 0.300 . 1 . . . . 73 ALA C . 18395 1 139 . 1 1 73 73 ALA CA C 13 55.793 0.300 . 1 . . . . 73 ALA CA . 18395 1 140 . 1 1 73 73 ALA N N 15 120.755 0.071 . 1 . . . . 73 ALA N . 18395 1 141 . 1 1 74 74 MET H H 1 8.163 0.008 . 1 . . . . 74 MET H . 18395 1 142 . 1 1 74 74 MET C C 13 177.604 0.300 . 1 . . . . 74 MET C . 18395 1 143 . 1 1 74 74 MET CA C 13 62.224 0.300 . 1 . . . . 74 MET CA . 18395 1 144 . 1 1 74 74 MET N N 15 115.192 0.132 . 1 . . . . 74 MET N . 18395 1 145 . 1 1 75 75 VAL H H 1 7.554 0.034 . 1 . . . . 75 VAL H . 18395 1 146 . 1 1 75 75 VAL CA C 13 66.272 0.300 . 1 . . . . 75 VAL CA . 18395 1 147 . 1 1 75 75 VAL N N 15 118.669 0.036 . 1 . . . . 75 VAL N . 18395 1 148 . 1 1 76 76 ILE C C 13 179.097 0.300 . 1 . . . . 76 ILE C . 18395 1 149 . 1 1 77 77 TRP H H 1 9.515 0.015 . 1 . . . . 77 TRP H . 18395 1 150 . 1 1 77 77 TRP C C 13 176.907 0.300 . 1 . . . . 77 TRP C . 18395 1 151 . 1 1 77 77 TRP CA C 13 58.934 0.300 . 1 . . . . 77 TRP CA . 18395 1 152 . 1 1 77 77 TRP N N 15 125.432 0.034 . 1 . . . . 77 TRP N . 18395 1 153 . 1 1 78 78 LEU H H 1 9.367 0.005 . 1 . . . . 78 LEU H . 18395 1 154 . 1 1 78 78 LEU CA C 13 58.374 0.300 . 1 . . . . 78 LEU CA . 18395 1 155 . 1 1 78 78 LEU N N 15 119.059 0.030 . 1 . . . . 78 LEU N . 18395 1 156 . 1 1 86 86 GLN C C 13 180.109 0.300 . 1 . . . . 86 GLN C . 18395 1 157 . 1 1 87 87 LEU H H 1 8.955 0.025 . 1 . . . . 87 LEU H . 18395 1 158 . 1 1 87 87 LEU C C 13 178.871 0.300 . 1 . . . . 87 LEU C . 18395 1 159 . 1 1 87 87 LEU CA C 13 57.725 0.300 . 1 . . . . 87 LEU CA . 18395 1 160 . 1 1 87 87 LEU N N 15 120.967 0.033 . 1 . . . . 87 LEU N . 18395 1 161 . 1 1 88 88 THR H H 1 8.764 0.046 . 1 . . . . 88 THR H . 18395 1 162 . 1 1 88 88 THR C C 13 180.013 0.300 . 1 . . . . 88 THR C . 18395 1 163 . 1 1 88 88 THR CA C 13 65.348 0.300 . 1 . . . . 88 THR CA . 18395 1 164 . 1 1 88 88 THR N N 15 108.293 0.012 . 1 . . . . 88 THR N . 18395 1 165 . 1 1 89 89 TYR H H 1 9.868 0.002 . 1 . . . . 89 TYR H . 18395 1 166 . 1 1 89 89 TYR C C 13 177.244 0.300 . 1 . . . . 89 TYR C . 18395 1 167 . 1 1 89 89 TYR CA C 13 63.163 0.300 . 1 . . . . 89 TYR CA . 18395 1 168 . 1 1 89 89 TYR N N 15 127.947 0.039 . 1 . . . . 89 TYR N . 18395 1 169 . 1 1 90 90 GLU H H 1 8.515 0.020 . 1 . . . . 90 GLU H . 18395 1 170 . 1 1 90 90 GLU C C 13 178.322 0.300 . 1 . . . . 90 GLU C . 18395 1 171 . 1 1 90 90 GLU CA C 13 59.638 0.300 . 1 . . . . 90 GLU CA . 18395 1 172 . 1 1 90 90 GLU N N 15 121.163 0.032 . 1 . . . . 90 GLU N . 18395 1 173 . 1 1 91 91 HIS H H 1 9.107 0.030 . 1 . . . . 91 HIS H . 18395 1 174 . 1 1 91 91 HIS C C 13 177.708 0.300 . 1 . . . . 91 HIS C . 18395 1 175 . 1 1 91 91 HIS CA C 13 57.803 0.300 . 1 . . . . 91 HIS CA . 18395 1 176 . 1 1 91 91 HIS N N 15 120.257 0.071 . 1 . . . . 91 HIS N . 18395 1 177 . 1 1 92 92 THR H H 1 9.550 0.009 . 1 . . . . 92 THR H . 18395 1 178 . 1 1 92 92 THR CA C 13 65.723 0.300 . 1 . . . . 92 THR CA . 18395 1 179 . 1 1 92 92 THR N N 15 115.562 0.024 . 1 . . . . 92 THR N . 18395 1 180 . 1 1 96 96 LEU C C 13 177.615 0.300 . 1 . . . . 96 LEU C . 18395 1 181 . 1 1 97 97 TYR H H 1 8.485 0.004 . 1 . . . . 97 TYR H . 18395 1 182 . 1 1 97 97 TYR CA C 13 57.199 0.300 . 1 . . . . 97 TYR CA . 18395 1 183 . 1 1 97 97 TYR N N 15 117.120 0.017 . 1 . . . . 97 TYR N . 18395 1 184 . 1 1 101 101 PHE C C 13 174.992 0.300 . 1 . . . . 101 PHE C . 18395 1 185 . 1 1 102 102 ALA H H 1 7.383 0.024 . 1 . . . . 102 ALA H . 18395 1 186 . 1 1 102 102 ALA C C 13 176.810 0.300 . 1 . . . . 102 ALA C . 18395 1 187 . 1 1 102 102 ALA CA C 13 52.788 0.300 . 1 . . . . 102 ALA CA . 18395 1 188 . 1 1 102 102 ALA N N 15 120.614 0.024 . 1 . . . . 102 ALA N . 18395 1 189 . 1 1 103 103 THR H H 1 9.278 0.020 . 1 . . . . 103 THR H . 18395 1 190 . 1 1 103 103 THR C C 13 175.821 0.300 . 1 . . . . 103 THR C . 18395 1 191 . 1 1 103 103 THR CA C 13 58.383 0.300 . 1 . . . . 103 THR CA . 18395 1 192 . 1 1 103 103 THR N N 15 112.733 0.043 . 1 . . . . 103 THR N . 18395 1 193 . 1 1 104 104 CYS H H 1 9.934 0.012 . 1 . . . . 104 CYS H . 18395 1 194 . 1 1 104 104 CYS C C 13 174.474 0.300 . 1 . . . . 104 CYS C . 18395 1 195 . 1 1 104 104 CYS CA C 13 55.932 0.300 . 1 . . . . 104 CYS CA . 18395 1 196 . 1 1 104 104 CYS N N 15 122.776 0.004 . 1 . . . . 104 CYS N . 18395 1 197 . 1 1 105 105 ASP H H 1 8.153 0.005 . 1 . . . . 105 ASP H . 18395 1 198 . 1 1 105 105 ASP CA C 13 53.905 0.300 . 1 . . . . 105 ASP CA . 18395 1 199 . 1 1 105 105 ASP N N 15 121.350 0.012 . 1 . . . . 105 ASP N . 18395 1 200 . 1 1 112 112 GLU C C 13 177.165 0.300 . 1 . . . . 112 GLU C . 18395 1 201 . 1 1 113 113 TRP H H 1 9.665 0.012 . 1 . . . . 113 TRP H . 18395 1 202 . 1 1 113 113 TRP CA C 13 56.056 0.300 . 1 . . . . 113 TRP CA . 18395 1 203 . 1 1 113 113 TRP N N 15 111.767 0.018 . 1 . . . . 113 TRP N . 18395 1 204 . 1 1 117 117 ASP C C 13 177.610 0.300 . 1 . . . . 117 ASP C . 18395 1 205 . 1 1 118 118 LYS H H 1 7.513 0.001 . 1 . . . . 118 LYS H . 18395 1 206 . 1 1 118 118 LYS CA C 13 57.323 0.300 . 1 . . . . 118 LYS CA . 18395 1 207 . 1 1 118 118 LYS N N 15 119.095 0.013 . 1 . . . . 118 LYS N . 18395 1 208 . 1 1 119 119 TRP C C 13 177.867 0.300 . 1 . . . . 119 TRP C . 18395 1 209 . 1 1 120 120 VAL H H 1 8.936 0.019 . 1 . . . . 120 VAL H . 18395 1 210 . 1 1 120 120 VAL CA C 13 58.898 0.300 . 1 . . . . 120 VAL CA . 18395 1 211 . 1 1 120 120 VAL N N 15 113.149 0.024 . 1 . . . . 120 VAL N . 18395 1 212 . 1 1 121 121 PRO C C 13 178.888 0.300 . 1 . . . . 121 PRO C . 18395 1 213 . 1 1 122 122 GLN H H 1 9.809 0.005 . 1 . . . . 122 GLN H . 18395 1 214 . 1 1 122 122 GLN C C 13 174.326 0.300 . 1 . . . . 122 GLN C . 18395 1 215 . 1 1 122 122 GLN CA C 13 58.418 0.300 . 1 . . . . 122 GLN CA . 18395 1 216 . 1 1 122 122 GLN N N 15 116.304 0.039 . 1 . . . . 122 GLN N . 18395 1 217 . 1 1 123 123 VAL H H 1 8.219 0.004 . 1 . . . . 123 VAL H . 18395 1 218 . 1 1 123 123 VAL CA C 13 61.823 0.300 . 1 . . . . 123 VAL CA . 18395 1 219 . 1 1 123 123 VAL N N 15 113.233 0.056 . 1 . . . . 123 VAL N . 18395 1 220 . 1 1 124 124 PHE C C 13 173.145 0.300 . 1 . . . . 124 PHE C . 18395 1 221 . 1 1 125 125 VAL H H 1 7.783 0.002 . 1 . . . . 125 VAL H . 18395 1 222 . 1 1 125 125 VAL C C 13 177.034 0.300 . 1 . . . . 125 VAL C . 18395 1 223 . 1 1 125 125 VAL CA C 13 62.322 0.300 . 1 . . . . 125 VAL CA . 18395 1 224 . 1 1 125 125 VAL N N 15 115.594 0.054 . 1 . . . . 125 VAL N . 18395 1 225 . 1 1 126 126 ALA H H 1 8.994 0.011 . 1 . . . . 126 ALA H . 18395 1 226 . 1 1 126 126 ALA C C 13 175.920 0.300 . 1 . . . . 126 ALA C . 18395 1 227 . 1 1 126 126 ALA CA C 13 51.887 0.300 . 1 . . . . 126 ALA CA . 18395 1 228 . 1 1 126 126 ALA N N 15 130.683 0.040 . 1 . . . . 126 ALA N . 18395 1 229 . 1 1 127 127 SER H H 1 8.145 0.026 . 1 . . . . 127 SER H . 18395 1 230 . 1 1 127 127 SER CA C 13 57.740 0.300 . 1 . . . . 127 SER CA . 18395 1 231 . 1 1 127 127 SER N N 15 112.716 0.005 . 1 . . . . 127 SER N . 18395 1 232 . 1 1 128 128 GLY H H 1 8.537 0.030 . 1 . . . . 128 GLY H . 18395 1 233 . 1 1 128 128 GLY CA C 13 46.419 0.300 . 1 . . . . 128 GLY CA . 18395 1 234 . 1 1 128 128 GLY N N 15 106.504 0.300 . 1 . . . . 128 GLY N . 18395 1 235 . 1 1 129 129 ASP C C 13 177.916 0.300 . 1 . . . . 129 ASP C . 18395 1 236 . 1 1 130 130 CYS H H 1 9.948 0.003 . 1 . . . . 130 CYS H . 18395 1 237 . 1 1 130 130 CYS C C 13 173.312 0.300 . 1 . . . . 130 CYS C . 18395 1 238 . 1 1 130 130 CYS CA C 13 55.938 0.300 . 1 . . . . 130 CYS CA . 18395 1 239 . 1 1 130 130 CYS N N 15 122.984 0.016 . 1 . . . . 130 CYS N . 18395 1 240 . 1 1 131 131 ALA H H 1 9.869 0.029 . 1 . . . . 131 ALA H . 18395 1 241 . 1 1 131 131 ALA CA C 13 53.363 0.300 . 1 . . . . 131 ALA CA . 18395 1 242 . 1 1 131 131 ALA N N 15 121.534 0.128 . 1 . . . . 131 ALA N . 18395 1 243 . 1 1 136 136 ASP C C 13 172.916 0.300 . 1 . . . . 136 ASP C . 18395 1 244 . 1 1 137 137 PHE H H 1 8.959 0.005 . 1 . . . . 137 PHE H . 18395 1 245 . 1 1 137 137 PHE CA C 13 57.048 0.300 . 1 . . . . 137 PHE CA . 18395 1 246 . 1 1 137 137 PHE N N 15 117.677 0.047 . 1 . . . . 137 PHE N . 18395 1 247 . 1 1 144 144 GLN C C 13 177.307 0.300 . 1 . . . . 144 GLN C . 18395 1 248 . 1 1 145 145 TRP H H 1 8.386 0.037 . 1 . . . . 145 TRP H . 18395 1 249 . 1 1 145 145 TRP C C 13 179.365 0.300 . 1 . . . . 145 TRP C . 18395 1 250 . 1 1 145 145 TRP CA C 13 59.713 0.300 . 1 . . . . 145 TRP CA . 18395 1 251 . 1 1 145 145 TRP N N 15 120.795 0.006 . 1 . . . . 145 TRP N . 18395 1 252 . 1 1 146 146 LEU H H 1 9.027 0.002 . 1 . . . . 146 LEU H . 18395 1 253 . 1 1 146 146 LEU C C 13 177.072 0.300 . 1 . . . . 146 LEU C . 18395 1 254 . 1 1 146 146 LEU CA C 13 57.744 0.300 . 1 . . . . 146 LEU CA . 18395 1 255 . 1 1 146 146 LEU N N 15 118.487 0.094 . 1 . . . . 146 LEU N . 18395 1 256 . 1 1 147 147 LEU H H 1 8.458 0.009 . 1 . . . . 147 LEU H . 18395 1 257 . 1 1 147 147 LEU CA C 13 58.415 0.300 . 1 . . . . 147 LEU CA . 18395 1 258 . 1 1 147 147 LEU N N 15 123.843 0.036 . 1 . . . . 147 LEU N . 18395 1 259 . 1 1 152 152 ALA C C 13 180.240 0.300 . 1 . . . . 152 ALA C . 18395 1 260 . 1 1 153 153 TYR H H 1 8.680 0.007 . 1 . . . . 153 TYR H . 18395 1 261 . 1 1 153 153 TYR CA C 13 61.101 0.300 . 1 . . . . 153 TYR CA . 18395 1 262 . 1 1 153 153 TYR N N 15 115.623 0.011 . 1 . . . . 153 TYR N . 18395 1 263 . 1 1 162 162 ILE C C 13 176.885 0.300 . 1 . . . . 162 ILE C . 18395 1 264 . 1 1 163 163 SER H H 1 9.427 0.022 . 1 . . . . 163 SER H . 18395 1 265 . 1 1 163 163 SER CA C 13 58.524 0.300 . 1 . . . . 163 SER CA . 18395 1 266 . 1 1 163 163 SER N N 15 112.832 0.300 . 1 . . . . 163 SER N . 18395 1 stop_ save_