################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27425 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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_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' . . . 27425 1 2 '3D HNCA' . . . 27425 1 3 '3D HNCO' . . . 27425 1 4 '3D HN(CO)CA' . . . 27425 1 5 '3D HCACO' . . . 27425 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.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 96 96 THR H H 1 8.038 0.001 . 1 . . . . . 96 THR HA . 27425 1 2 . 1 1 96 96 THR CA C 13 63.204 0.031 . 1 . . . . . 96 THR CA . 27425 1 3 . 1 1 96 96 THR N N 15 117.213 0.059 . 1 . . . . . 96 THR N . 27425 1 4 . 1 1 97 97 LEU H H 1 8.502 0.001 . 1 . . . . . 97 LEU HA . 27425 1 5 . 1 1 97 97 LEU CA C 13 52.242 0.021 . 1 . . . . . 97 LEU CA . 27425 1 6 . 1 1 97 97 LEU N N 15 124.938 0.03 . 1 . . . . . 97 LEU N . 27425 1 7 . 1 1 98 98 ARG H H 1 8.16 0.002 . 1 . . . . . 98 ARG HA . 27425 1 8 . 1 1 98 98 ARG N N 15 117.458 0.011 . 1 . . . . . 98 ARG N . 27425 1 9 . 1 1 99 99 GLN H H 1 7.662 0.001 . 1 . . . . . 99 GLN HA . 27425 1 10 . 1 1 99 99 GLN CA C 13 62.977 0.012 . 1 . . . . . 99 GLN CA . 27425 1 11 . 1 1 99 99 GLN N N 15 119.721 0.056 . 1 . . . . . 99 GLN N . 27425 1 12 . 1 1 100 100 ALA H H 1 8.332 0.001 . 1 . . . . . 100 ALA HA . 27425 1 13 . 1 1 100 100 ALA CA C 13 52.142 0.05 . 1 . . . . . 100 ALA CA . 27425 1 14 . 1 1 100 100 ALA N N 15 124.583 0.034 . 1 . . . . . 100 ALA N . 27425 1 15 . 1 1 101 101 GLY CA C 13 45.14 0.022 . 1 . . . . . 101 GLY CA . 27425 1 16 . 1 1 102 102 ASP H H 1 7.984 0.003 . 1 . . . . . 102 ASP HA . 27425 1 17 . 1 1 102 102 ASP CA C 13 52.103 0.031 . 1 . . . . . 102 ASP CA . 27425 1 18 . 1 1 102 102 ASP N N 15 123.507 0.012 . 1 . . . . . 102 ASP N . 27425 1 19 . 1 1 103 103 ASP H H 1 8.256 0.001 . 1 . . . . . 103 ASP HA . 27425 1 20 . 1 1 103 103 ASP CA C 13 50.33 0.013 . 1 . . . . . 103 ASP CA . 27425 1 21 . 1 1 103 103 ASP N N 15 124.854 0.034 . 1 . . . . . 103 ASP N . 27425 1 22 . 1 1 105 105 SER H H 1 8.837 0.002 . 1 . . . . . 105 SER HA . 27425 1 23 . 1 1 105 105 SER CA C 13 52.277 0.045 . 1 . . . . . 105 SER CA . 27425 1 24 . 1 1 105 105 SER N N 15 112.68 0.045 . 1 . . . . . 105 SER N . 27425 1 25 . 1 1 106 106 ARG H H 1 7.554 0.001 . 1 . . . . . 106 ARG HA . 27425 1 26 . 1 1 106 106 ARG N N 15 124.079 0.056 . 1 . . . . . 106 ARG N . 27425 1 27 . 1 1 107 107 ARG H H 1 8.152 0.001 . 1 . . . . . 107 ARG HA . 27425 1 28 . 1 1 107 107 ARG CA C 13 56.262 0.055 . 1 . . . . . 107 ARG CA . 27425 1 29 . 1 1 107 107 ARG N N 15 118.386 0.062 . 1 . . . . . 107 ARG N . 27425 1 30 . 1 1 108 108 TYR H H 1 6.926 0.002 . 1 . . . . . 108 TYR HA . 27425 1 31 . 1 1 108 108 TYR CA C 13 53.438 0.004 . 1 . . . . . 108 TYR CA . 27425 1 32 . 1 1 108 108 TYR N N 15 114.444 0.076 . 1 . . . . . 108 TYR N . 27425 1 33 . 1 1 109 109 ARG H H 1 7.791 0.001 . 1 . . . . . 109 ARG HA . 27425 1 34 . 1 1 109 109 ARG CA C 13 57.614 0.031 . 1 . . . . . 109 ARG CA . 27425 1 35 . 1 1 109 109 ARG N N 15 125.935 0.063 . 1 . . . . . 109 ARG N . 27425 1 36 . 1 1 113 113 ALA H H 1 8.184 0.001 . 1 . . . . . 113 ALA HA . 27425 1 37 . 1 1 113 113 ALA CA C 13 52.291 0.01 . 1 . . . . . 113 ALA CA . 27425 1 38 . 1 1 113 113 ALA N N 15 122.517 0.067 . 1 . . . . . 113 ALA N . 27425 1 39 . 1 1 118 118 GLN H H 1 8.285 0.001 . 1 . . . . . 118 GLN HA . 27425 1 40 . 1 1 118 118 GLN CA C 13 54.461 0.022 . 1 . . . . . 118 GLN CA . 27425 1 41 . 1 1 118 118 GLN N N 15 120.002 0.087 . 1 . . . . . 118 GLN N . 27425 1 42 . 1 1 119 119 LEU H H 1 8.251 0.001 . 1 . . . . . 119 LEU HA . 27425 1 43 . 1 1 119 119 LEU CA C 13 52.313 0.031 . 1 . . . . . 119 LEU CA . 27425 1 44 . 1 1 119 119 LEU N N 15 121.873 0.069 . 1 . . . . . 119 LEU N . 27425 1 45 . 1 1 120 120 HIS H H 1 7.979 0.002 . 1 . . . . . 120 HIS HA . 27425 1 46 . 1 1 120 120 HIS N N 15 123.295 0.087 . 1 . . . . . 120 HIS N . 27425 1 47 . 1 1 121 121 LEU H H 1 8.401 0.001 . 1 . . . . . 121 LEU HA . 27425 1 48 . 1 1 121 121 LEU CA C 13 54.248 0.015 . 1 . . . . . 121 LEU CA . 27425 1 49 . 1 1 121 121 LEU N N 15 123.863 0.02 . 1 . . . . . 121 LEU N . 27425 1 50 . 1 1 125 125 THR CA C 13 57.72 0.007 . 1 . . . . . 125 THR CA . 27425 1 51 . 1 1 126 126 ALA H H 1 8.057 0.002 . 1 . . . . . 126 ALA HA . 27425 1 52 . 1 1 126 126 ALA CA C 13 56.491 0.024 . 1 . . . . . 126 ALA CA . 27425 1 53 . 1 1 126 126 ALA N N 15 122.311 0.042 . 1 . . . . . 126 ALA N . 27425 1 54 . 1 1 127 127 ARG H H 1 8.178 0.001 . 1 . . . . . 127 ARG HA . 27425 1 55 . 1 1 127 127 ARG CA C 13 52.794 0.044 . 1 . . . . . 127 ARG CA . 27425 1 56 . 1 1 127 127 ARG N N 15 124.81 0.065 . 1 . . . . . 127 ARG N . 27425 1 57 . 1 1 128 128 GLY H H 1 8.399 0.002 . 1 . . . . . 128 GLY HA . 27425 1 58 . 1 1 128 128 GLY CA C 13 45.295 0.03 . 1 . . . . . 128 GLY CA . 27425 1 59 . 1 1 128 128 GLY N N 15 108.135 0.024 . 1 . . . . . 128 GLY N . 27425 1 60 . 1 1 129 129 ARG H H 1 8.114 0.001 . 1 . . . . . 129 ARG HA . 27425 1 61 . 1 1 129 129 ARG CA C 13 54.175 0.056 . 1 . . . . . 129 ARG CA . 27425 1 62 . 1 1 129 129 ARG N N 15 120.62 0.012 . 1 . . . . . 129 ARG N . 27425 1 63 . 1 1 130 130 PHE H H 1 8.083 0.003 . 1 . . . . . 130 PHE HA . 27425 1 64 . 1 1 130 130 PHE CA C 13 62.786 0.032 . 1 . . . . . 130 PHE CA . 27425 1 65 . 1 1 130 130 PHE N N 15 120.117 0.021 . 1 . . . . . 130 PHE N . 27425 1 66 . 1 1 135 135 GLU CA C 13 57.227 0.023 . 1 . . . . . 135 GLU CA . 27425 1 67 . 1 1 136 136 GLU H H 1 8.157 0.001 . 1 . . . . . 136 GLU HA . 27425 1 68 . 1 1 136 136 GLU CA C 13 54.372 0.002 . 1 . . . . . 136 GLU CA . 27425 1 69 . 1 1 136 136 GLU N N 15 121.642 0.035 . 1 . . . . . 136 GLU N . 27425 1 70 . 1 1 137 137 LEU H H 1 8.115 0.002 . 1 . . . . . 137 LEU HA . 27425 1 71 . 1 1 137 137 LEU CA C 13 50.328 0.016 . 1 . . . . . 137 LEU CA . 27425 1 72 . 1 1 137 137 LEU N N 15 123.777 0.055 . 1 . . . . . 137 LEU N . 27425 1 73 . 1 1 138 138 PHE H H 1 7.236 0.001 . 1 . . . . . 138 PHE HA . 27425 1 74 . 1 1 138 138 PHE CA C 13 50.063 0.02 . 1 . . . . . 138 PHE CA . 27425 1 75 . 1 1 138 138 PHE N N 15 110.637 0.021 . 1 . . . . . 138 PHE N . 27425 1 76 . 1 1 139 139 ARG H H 1 7.686 0.001 . 1 . . . . . 139 ARG HA . 27425 1 77 . 1 1 139 139 ARG CA C 13 59.076 0.031 . 1 . . . . . 139 ARG CA . 27425 1 78 . 1 1 139 139 ARG N N 15 126.013 0.013 . 1 . . . . . 139 ARG N . 27425 1 79 . 1 1 140 140 ASP H H 1 8.603 0.002 . 1 . . . . . 140 ASP HA . 27425 1 80 . 1 1 140 140 ASP CA C 13 52.53 0.011 . 1 . . . . . 140 ASP CA . 27425 1 81 . 1 1 140 140 ASP N N 15 117.122 0.036 . 1 . . . . . 140 ASP N . 27425 1 82 . 1 1 141 141 GLY H H 1 8.051 0.001 . 1 . . . . . 141 GLY HA . 27425 1 83 . 1 1 141 141 GLY CA C 13 45.282 0.032 . 1 . . . . . 141 GLY CA . 27425 1 84 . 1 1 141 141 GLY N N 15 107.095 0.021 . 1 . . . . . 141 GLY N . 27425 1 85 . 1 1 142 142 VAL H H 1 7.901 0.001 . 1 . . . . . 142 VAL HA . 27425 1 86 . 1 1 142 142 VAL CA C 13 52.05 0.052 . 1 . . . . . 142 VAL CA . 27425 1 87 . 1 1 142 142 VAL N N 15 123.387 0.011 . 1 . . . . . 142 VAL N . 27425 1 88 . 1 1 143 143 ASN H H 1 8.162 0.002 . 1 . . . . . 143 ASN HA . 27425 1 89 . 1 1 143 143 ASN CA C 13 50.328 0.011 . 1 . . . . . 143 ASN CA . 27425 1 90 . 1 1 143 143 ASN N N 15 124.781 0.024 . 1 . . . . . 143 ASN N . 27425 1 91 . 1 1 144 144 TRP H H 1 8.603 0.001 . 1 . . . . . 144 TRP HA . 27425 1 92 . 1 1 144 144 TRP CA C 13 63.298 0.023 . 1 . . . . . 144 TRP CA . 27425 1 93 . 1 1 144 144 TRP N N 15 117.122 0.059 . 1 . . . . . 144 TRP N . 27425 1 94 . 1 1 145 145 GLY H H 1 8.346 0.002 . 1 . . . . . 145 GLY HA . 27425 1 95 . 1 1 145 145 GLY CA C 13 45.312 0.027 . 1 . . . . . 145 GLY CA . 27425 1 96 . 1 1 145 145 GLY N N 15 108.836 0.062 . 1 . . . . . 145 GLY N . 27425 1 97 . 1 1 146 146 ARG H H 1 7.816 0.001 . 1 . . . . . 146 ARG HA . 27425 1 98 . 1 1 146 146 ARG CA C 13 61.226 0.031 . 1 . . . . . 146 ARG CA . 27425 1 99 . 1 1 146 146 ARG N N 15 119.562 0.026 . 1 . . . . . 146 ARG N . 27425 1 100 . 1 1 147 147 ILE H H 1 8.314 0.003 . 1 . . . . . 147 ILE HA . 27425 1 101 . 1 1 147 147 ILE CA C 13 57.538 0.032 . 1 . . . . . 147 ILE CA . 27425 1 102 . 1 1 147 147 ILE N N 15 123.811 0.023 . 1 . . . . . 147 ILE N . 27425 1 103 . 1 1 148 148 VAL CA C 13 60.187 0.033 . 1 . . . . . 148 VAL CA . 27425 1 104 . 1 1 149 149 ALA H H 1 7.977 0.001 . 1 . . . . . 149 ALA HA . 27425 1 105 . 1 1 149 149 ALA CA C 13 49.579 0.008 . 1 . . . . . 149 ALA CA . 27425 1 106 . 1 1 149 149 ALA N N 15 123.23 0.045 . 1 . . . . . 149 ALA N . 27425 1 107 . 1 1 150 150 PHE H H 1 8.374 0.001 . 1 . . . . . 150 PHE HA . 27425 1 108 . 1 1 150 150 PHE CA C 13 52.644 0.009 . 1 . . . . . 150 PHE CA . 27425 1 109 . 1 1 150 150 PHE N N 15 123.545 0.027 . 1 . . . . . 150 PHE N . 27425 1 110 . 1 1 151 151 PHE H H 1 7.855 0.002 . 1 . . . . . 151 PHE HA . 27425 1 111 . 1 1 151 151 PHE CA C 13 57.299 0.061 . 1 . . . . . 151 PHE CA . 27425 1 112 . 1 1 151 151 PHE N N 15 125.659 0.072 . 1 . . . . . 151 PHE N . 27425 1 113 . 1 1 152 152 GLU H H 1 7.98 0.001 . 1 . . . . . 152 GLU HA . 27425 1 114 . 1 1 152 152 GLU CA C 13 53.975 0.007 . 1 . . . . . 152 GLU CA . 27425 1 115 . 1 1 152 152 GLU N N 15 122.681 0.013 . 1 . . . . . 152 GLU N . 27425 1 116 . 1 1 153 153 PHE H H 1 8.017 0.001 . 1 . . . . . 153 PHE HA . 27425 1 117 . 1 1 153 153 PHE CA C 13 52.891 0.011 . 1 . . . . . 153 PHE CA . 27425 1 118 . 1 1 153 153 PHE N N 15 124.802 0.031 . 1 . . . . . 153 PHE N . 27425 1 119 . 1 1 154 154 GLY H H 1 8.297 0.002 . 1 . . . . . 154 GLY HA . 27425 1 120 . 1 1 154 154 GLY CA C 13 45.331 0.041 . 1 . . . . . 154 GLY CA . 27425 1 121 . 1 1 154 154 GLY N N 15 107.146 0.003 . 1 . . . . . 154 GLY N . 27425 1 122 . 1 1 155 155 GLY H H 1 8.408 0.001 . 1 . . . . . 155 GLY HA . 27425 1 123 . 1 1 155 155 GLY CA C 13 45.278 0.026 . 1 . . . . . 155 GLY CA . 27425 1 124 . 1 1 155 155 GLY N N 15 111.68 0.01 . 1 . . . . . 155 GLY N . 27425 1 125 . 1 1 156 156 VAL H H 1 7.778 0.001 . 1 . . . . . 156 VAL HA . 27425 1 126 . 1 1 156 156 VAL CA C 13 61.14 0.033 . 1 . . . . . 156 VAL CA . 27425 1 127 . 1 1 156 156 VAL N N 15 119.611 0.009 . 1 . . . . . 156 VAL N . 27425 1 128 . 1 1 158 158 CYS CA C 13 63.368 0.039 . 1 . . . . . 158 CYS CA . 27425 1 129 . 1 1 159 159 VAL H H 1 8.109 0.002 . 1 . . . . . 159 VAL HA . 27425 1 130 . 1 1 159 159 VAL CA C 13 62.172 0.049 . 1 . . . . . 159 VAL CA . 27425 1 131 . 1 1 159 159 VAL N N 15 119.566 0.073 . 1 . . . . . 159 VAL N . 27425 1 132 . 1 1 160 160 GLU H H 1 8.389 0.001 . 1 . . . . . 160 GLU HA . 27425 1 133 . 1 1 160 160 GLU CA C 13 60.538 0.03 . 1 . . . . . 160 GLU CA . 27425 1 134 . 1 1 160 160 GLU N N 15 122.819 0.024 . 1 . . . . . 160 GLU N . 27425 1 135 . 1 1 164 164 ARG H H 1 8.222 0.001 . 1 . . . . . 164 ARG HA . 27425 1 136 . 1 1 164 164 ARG CA C 13 55.647 0.02 . 1 . . . . . 164 ARG CA . 27425 1 137 . 1 1 164 164 ARG N N 15 120.38 0.037 . 1 . . . . . 164 ARG N . 27425 1 138 . 1 1 165 165 GLU H H 1 8.029 0.003 . 1 . . . . . 165 GLU HA . 27425 1 139 . 1 1 165 165 GLU CA C 13 58.65 0.007 . 1 . . . . . 165 GLU CA . 27425 1 140 . 1 1 165 165 GLU N N 15 116.529 0.047 . 1 . . . . . 165 GLU N . 27425 1 141 . 1 1 166 166 MET H H 1 8.026 0.001 . 1 . . . . . 166 MET HA . 27425 1 142 . 1 1 166 166 MET CA C 13 54.034 0.021 . 1 . . . . . 166 MET CA . 27425 1 143 . 1 1 166 166 MET N N 15 120.419 0.022 . 1 . . . . . 166 MET N . 27425 1 144 . 1 1 167 167 SER H H 1 8.011 0.001 . 1 . . . . . 167 SER HA . 27425 1 145 . 1 1 167 167 SER CA C 13 62.811 0.005 . 1 . . . . . 167 SER CA . 27425 1 146 . 1 1 167 167 SER N N 15 120.156 0.031 . 1 . . . . . 167 SER N . 27425 1 147 . 1 1 168 168 PRO CA C 13 63.321 0.055 . 1 . . . . . 168 PRO CA . 27425 1 148 . 1 1 169 169 LEU H H 1 7.913 0.001 . 1 . . . . . 169 LEU HA . 27425 1 149 . 1 1 169 169 LEU CA C 13 46.083 0.045 . 1 . . . . . 169 LEU CA . 27425 1 150 . 1 1 169 169 LEU N N 15 115.24 0.032 . 1 . . . . . 169 LEU N . 27425 1 151 . 1 1 172 172 ASN CA C 13 56.112 0.006 . 1 . . . . . 172 ASN CA . 27425 1 152 . 1 1 173 173 ILE H H 1 7.826 0.002 . 1 . . . . . 173 ILE HA . 27425 1 153 . 1 1 173 173 ILE CA C 13 63.267 0.008 . 1 . . . . . 173 ILE CA . 27425 1 154 . 1 1 173 173 ILE N N 15 120.658 0.046 . 1 . . . . . 173 ILE N . 27425 1 155 . 1 1 174 174 ALA H H 1 7.856 0.002 . 1 . . . . . 174 ALA HA . 27425 1 156 . 1 1 174 174 ALA CA C 13 59.21 0.038 . 1 . . . . . 174 ALA CA . 27425 1 157 . 1 1 174 174 ALA N N 15 119.972 0.024 . 1 . . . . . 174 ALA N . 27425 1 158 . 1 1 175 175 LEU H H 1 8.296 0.001 . 1 . . . . . 175 LEU HA . 27425 1 159 . 1 1 175 175 LEU CA C 13 53.562 0.042 . 1 . . . . . 175 LEU CA . 27425 1 160 . 1 1 175 175 LEU N N 15 122.706 0.02 . 1 . . . . . 175 LEU N . 27425 1 161 . 1 1 176 176 TRP H H 1 8.367 0.003 . 1 . . . . . 176 TRP HA . 27425 1 162 . 1 1 176 176 TRP CA C 13 55.517 0.011 . 1 . . . . . 176 TRP CA . 27425 1 163 . 1 1 176 176 TRP N N 15 121.544 0.031 . 1 . . . . . 176 TRP N . 27425 1 164 . 1 1 177 177 MET H H 1 8.216 0.001 . 1 . . . . . 177 MET HA . 27425 1 165 . 1 1 177 177 MET CA C 13 59.84 0.02 . 1 . . . . . 177 MET CA . 27425 1 166 . 1 1 177 177 MET N N 15 118.467 0.014 . 1 . . . . . 177 MET N . 27425 1 167 . 1 1 179 179 GLU H H 1 7.73 0.002 . 1 . . . . . 179 GLU HA . 27425 1 168 . 1 1 179 179 GLU CA C 13 57.458 0.034 . 1 . . . . . 179 GLU CA . 27425 1 169 . 1 1 179 179 GLU N N 15 125.295 0.057 . 1 . . . . . 179 GLU N . 27425 1 170 . 1 1 180 180 TYR H H 1 7.811 0.001 . 1 . . . . . 180 TYR HA . 27425 1 171 . 1 1 180 180 TYR CA C 13 60.024 0.023 . 1 . . . . . 180 TYR CA . 27425 1 172 . 1 1 180 180 TYR N N 15 122.696 0.042 . 1 . . . . . 180 TYR N . 27425 1 173 . 1 1 181 181 LEU H H 1 8.187 0.001 . 1 . . . . . 181 LEU HA . 27425 1 174 . 1 1 181 181 LEU CA C 13 56.092 0.022 . 1 . . . . . 181 LEU CA . 27425 1 175 . 1 1 181 181 LEU N N 15 120.141 0.066 . 1 . . . . . 181 LEU N . 27425 1 176 . 1 1 182 182 ASN CA C 13 56.342 0.033 . 1 . . . . . 182 ASN CA . 27425 1 177 . 1 1 183 183 ARG H H 1 8.059 0.002 . 1 . . . . . 183 ARG HA . 27425 1 178 . 1 1 183 183 ARG CA C 13 54.003 0.01 . 1 . . . . . 183 ARG CA . 27425 1 179 . 1 1 183 183 ARG N N 15 121.122 0.031 . 1 . . . . . 183 ARG N . 27425 1 180 . 1 1 184 184 HIS H H 1 7.963 0.001 . 1 . . . . . 184 HIS HA . 27425 1 181 . 1 1 184 184 HIS CA C 13 54.811 0.024 . 1 . . . . . 184 HIS CA . 27425 1 182 . 1 1 184 184 HIS N N 15 110.817 0.052 . 1 . . . . . 184 HIS N . 27425 1 183 . 1 1 185 185 LEU H H 1 8.25 0.003 . 1 . . . . . 185 LEU HA . 27425 1 184 . 1 1 185 185 LEU CA C 13 54.259 0.012 . 1 . . . . . 185 LEU CA . 27425 1 185 . 1 1 185 185 LEU N N 15 123.236 0.032 . 1 . . . . . 185 LEU N . 27425 1 186 . 1 1 186 186 HIS H H 1 7.81 0.001 . 1 . . . . . 186 HIS HA . 27425 1 187 . 1 1 186 186 HIS N N 15 123.603 0.065 . 1 . . . . . 186 HIS N . 27425 1 188 . 1 1 187 187 THR H H 1 7.952 0.001 . 1 . . . . . 187 THR HA . 27425 1 189 . 1 1 187 187 THR CA C 13 61.761 0.011 . 1 . . . . . 187 THR CA . 27425 1 190 . 1 1 187 187 THR N N 15 112.976 0.033 . 1 . . . . . 187 THR N . 27425 1 191 . 1 1 188 188 TRP H H 1 7.947 0.001 . 1 . . . . . 188 TRP HA . 27425 1 192 . 1 1 188 188 TRP CA C 13 58.189 0.032 . 1 . . . . . 188 TRP CA . 27425 1 193 . 1 1 188 188 TRP N N 15 128.101 0.043 . 1 . . . . . 188 TRP N . 27425 1 194 . 1 1 189 189 ILE H H 1 8.843 0.002 . 1 . . . . . 189 ILE HA . 27425 1 195 . 1 1 189 189 ILE CA C 13 65.012 0.012 . 1 . . . . . 189 ILE CA . 27425 1 196 . 1 1 189 189 ILE N N 15 121.017 0.031 . 1 . . . . . 189 ILE N . 27425 1 197 . 1 1 191 191 ASP H H 1 7.835 0.001 . 1 . . . . . 191 ASP HA . 27425 1 198 . 1 1 191 191 ASP CA C 13 53.728 0.034 . 1 . . . . . 191 ASP CA . 27425 1 199 . 1 1 191 191 ASP N N 15 120.308 0.068 . 1 . . . . . 191 ASP N . 27425 1 200 . 1 1 192 192 ASN H H 1 7.3 0.001 . 1 . . . . . 192 ASN HA . 27425 1 201 . 1 1 192 192 ASN CA C 13 52.369 0.023 . 1 . . . . . 192 ASN CA . 27425 1 202 . 1 1 192 192 ASN N N 15 124.79 0.009 . 1 . . . . . 192 ASN N . 27425 1 203 . 1 1 193 193 GLY H H 1 8.112 0.002 . 1 . . . . . 193 GLY HA . 27425 1 204 . 1 1 193 193 GLY CA C 13 44.486 0.03 . 1 . . . . . 193 GLY CA . 27425 1 205 . 1 1 193 193 GLY N N 15 108.276 0.022 . 1 . . . . . 193 GLY N . 27425 1 206 . 1 1 194 194 GLY CA C 13 44.835 0.019 . 1 . . . . . 194 GLY CA . 27425 1 207 . 1 1 195 195 TRP H H 1 8.043 0.001 . 1 . . . . . 195 TRP HA . 27425 1 208 . 1 1 195 195 TRP CA C 13 56.042 0.046 . 1 . . . . . 195 TRP CA . 27425 1 209 . 1 1 195 195 TRP N N 15 118.8 0.065 . 1 . . . . . 195 TRP N . 27425 1 210 . 1 1 196 196 ASP H H 1 7.788 0.001 . 1 . . . . . 196 ASP HA . 27425 1 211 . 1 1 196 196 ASP CA C 13 52.07 0.012 . 1 . . . . . 196 ASP CA . 27425 1 212 . 1 1 196 196 ASP N N 15 117.978 0.052 . 1 . . . . . 196 ASP N . 27425 1 213 . 1 1 197 197 ALA H H 1 8.196 0.001 . 1 . . . . . 197 ALA HA . 27425 1 214 . 1 1 197 197 ALA CA C 13 50.344 0.031 . 1 . . . . . 197 ALA CA . 27425 1 215 . 1 1 197 197 ALA N N 15 124.799 0.081 . 1 . . . . . 197 ALA N . 27425 1 216 . 1 1 198 198 PHE H H 1 7.749 0.003 . 1 . . . . . 198 PHE HA . 27425 1 217 . 1 1 198 198 PHE CA C 13 52.237 0.031 . 1 . . . . . 198 PHE CA . 27425 1 218 . 1 1 198 198 PHE N N 15 123.998 0.05 . 1 . . . . . 198 PHE N . 27425 1 219 . 1 1 199 199 VAL H H 1 8.173 0.002 . 1 . . . . . 199 VAL HA . 27425 1 220 . 1 1 199 199 VAL CA C 13 54.71 0.005 . 1 . . . . . 199 VAL CA . 27425 1 221 . 1 1 199 199 VAL N N 15 121.84 0.031 . 1 . . . . . 199 VAL N . 27425 1 222 . 1 1 200 200 GLU H H 1 8.273 0.001 . 1 . . . . . 200 GLU HA . 27425 1 223 . 1 1 200 200 GLU CA C 13 54.362 0.008 . 1 . . . . . 200 GLU CA . 27425 1 224 . 1 1 200 200 GLU N N 15 121.451 0.025 . 1 . . . . . 200 GLU N . 27425 1 225 . 1 1 201 201 LEU H H 1 7.977 0.001 . 1 . . . . . 201 LEU HA . 27425 1 226 . 1 1 201 201 LEU CA C 13 57.559 0.052 . 1 . . . . . 201 LEU CA . 27425 1 227 . 1 1 201 201 LEU N N 15 126.101 0.036 . 1 . . . . . 201 LEU N . 27425 1 228 . 1 1 202 202 TYR H H 1 8.292 0.002 . 1 . . . . . 202 TYR HA . 27425 1 229 . 1 1 202 202 TYR CA C 13 62.061 0.027 . 1 . . . . . 202 TYR CA . 27425 1 230 . 1 1 202 202 TYR N N 15 115.534 0.009 . 1 . . . . . 202 TYR N . 27425 1 231 . 1 1 203 203 GLY H H 1 8.356 0.001 . 1 . . . . . 203 GLY HA . 27425 1 232 . 1 1 203 203 GLY CA C 13 44.849 0.032 . 1 . . . . . 203 GLY CA . 27425 1 233 . 1 1 203 203 GLY N N 15 110.38 0.076 . 1 . . . . . 203 GLY N . 27425 1 234 . 1 1 205 205 SER H H 1 7.924 0.003 . 1 . . . . . 205 SER HA . 27425 1 235 . 1 1 205 205 SER CA C 13 57.05 0.021 . 1 . . . . . 205 SER CA . 27425 1 236 . 1 1 205 205 SER N N 15 114.589 0.036 . 1 . . . . . 205 SER N . 27425 1 237 . 1 1 206 206 MET H H 1 8.189 0.001 . 1 . . . . . 206 MET HA . 27425 1 238 . 1 1 206 206 MET CA C 13 59.827 0.03 . 1 . . . . . 206 MET CA . 27425 1 239 . 1 1 206 206 MET N N 15 122.163 0.031 . 1 . . . . . 206 MET N . 27425 1 stop_ save_