data_34169 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of truncated, human Hv1/VSOP (Voltage-gated proton channel) ; _BMRB_accession_number 34169 _BMRB_flat_file_name bmr34169.str _Entry_type original _Submission_date 2017-08-12 _Accession_date 2017-08-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bayrhuber M. . . 2 Maslennikov I. . . 3 Kwiatowski W. . . 4 Sobol A. . . 5 Wierschem C. . . 6 Eichmann C. . . 7 Riek R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 531 "13C chemical shifts" 360 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-28 original BMRB . stop_ _Original_release_date 2019-01-29 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Insights into the mechanism of proton channels investigated by NMR ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bayrhuber M. . . 2 Maslennikov I. . . 3 Kwiatowski W. . . 4 Sobol A. . . 5 Wierschem C. . . 6 Eichmann C. . . 7 Riek R. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Voltage-gated hydrogen channel 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17352.062 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; SHMRAPLDFRGMLRKLFSSH RFQVIIICLVVLDALLVLAE LILDLKIIQPDKNNYAAMVF HYMSITILVFFMMEIIFKLF VFRLEFFHHKFEILDAVVVV VSFILDIVLLFQEHQFEALG LLILLRLWRVARIINGIIIS VKTRSER ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 80 SER 2 81 HIS 3 82 MET 4 83 ARG 5 84 ALA 6 85 PRO 7 86 LEU 8 87 ASP 9 88 PHE 10 89 ARG 11 90 GLY 12 91 MET 13 92 LEU 14 93 ARG 15 94 LYS 16 95 LEU 17 96 PHE 18 97 SER 19 98 SER 20 99 HIS 21 100 ARG 22 101 PHE 23 102 GLN 24 103 VAL 25 104 ILE 26 105 ILE 27 106 ILE 28 107 CYS 29 108 LEU 30 109 VAL 31 110 VAL 32 111 LEU 33 112 ASP 34 113 ALA 35 114 LEU 36 115 LEU 37 116 VAL 38 117 LEU 39 118 ALA 40 119 GLU 41 120 LEU 42 121 ILE 43 122 LEU 44 123 ASP 45 124 LEU 46 125 LYS 47 126 ILE 48 127 ILE 49 128 GLN 50 129 PRO 51 130 ASP 52 131 LYS 53 132 ASN 54 133 ASN 55 134 TYR 56 135 ALA 57 136 ALA 58 137 MET 59 138 VAL 60 139 PHE 61 140 HIS 62 141 TYR 63 142 MET 64 143 SER 65 144 ILE 66 145 THR 67 146 ILE 68 147 LEU 69 148 VAL 70 149 PHE 71 150 PHE 72 151 MET 73 152 MET 74 153 GLU 75 154 ILE 76 155 ILE 77 156 PHE 78 157 LYS 79 158 LEU 80 159 PHE 81 160 VAL 82 161 PHE 83 162 ARG 84 163 LEU 85 164 GLU 86 165 PHE 87 166 PHE 88 167 HIS 89 168 HIS 90 169 LYS 91 170 PHE 92 171 GLU 93 172 ILE 94 173 LEU 95 174 ASP 96 175 ALA 97 176 VAL 98 177 VAL 99 178 VAL 100 179 VAL 101 180 VAL 102 181 SER 103 182 PHE 104 183 ILE 105 184 LEU 106 185 ASP 107 186 ILE 108 187 VAL 109 188 LEU 110 189 LEU 111 190 PHE 112 191 GLN 113 192 GLU 114 193 HIS 115 194 GLN 116 195 PHE 117 196 GLU 118 197 ALA 119 198 LEU 120 199 GLY 121 200 LEU 122 201 LEU 123 202 ILE 124 203 LEU 125 204 LEU 126 205 ARG 127 206 LEU 128 207 TRP 129 208 ARG 130 209 VAL 131 210 ALA 132 211 ARG 133 212 ILE 134 213 ILE 135 214 ASN 136 215 GLY 137 216 ILE 138 217 ILE 139 218 ILE 140 219 SER 141 220 VAL 142 221 LYS 143 222 THR 144 223 ARG 145 224 SER 146 225 GLU 147 226 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'HVCN1, VSOP, UNQ578/PRO1140' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . C43 pET-28a . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details ; 0.4 mM [U-99% 13C; U-99% 15N; 50% 2H] Hv1/VSOP, 20 mM MES, 20 mM BisTris, 2 mM FC-12, 2 mM LDAO, 1 mM TCEP, 10 mM ZnCl2, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-99% 13C; U-99% 15N; 50% 2H]' MES 20 mM 'natural abundance' BisTris 20 mM 'natural abundance' FC-12 2 mM 'natural abundance' LDAO 2 mM 'natural abundance' TCEP 1 mM 'natural abundance' ZnCl2 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 30 . mM pH 5.8 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 'Deuterium Oxide' C 13 protons ppm 0.000 internal indirect . . . 0.25144953 'Deuterium Oxide' H 1 protons ppm 0.000 internal direct . . . 1.0 'Deuterium Oxide' N 15 protons ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCO' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 80 1 SER C C 177.137 . . 2 80 1 SER CA C 54.764 . . 3 81 2 HIS H H 8.150 . . 4 81 2 HIS C C 175.641 . . 5 81 2 HIS CA C 54.732 . . 6 81 2 HIS CB C 31.688 . . 7 81 2 HIS N N 121.114 . . 8 82 3 MET H H 7.979 . . 9 82 3 MET C C 175.681 . . 10 82 3 MET CA C 55.476 . . 11 82 3 MET N N 122.395 . . 12 83 4 ARG H H 8.183 . . 13 83 4 ARG HA H 4.175 . . 14 83 4 ARG HB2 H 1.578 . . 15 83 4 ARG HB3 H 1.658 . . 16 83 4 ARG HG2 H 1.467 . . 17 83 4 ARG HG3 H 1.467 . . 18 83 4 ARG C C 175.383 . . 19 83 4 ARG CA C 55.489 . . 20 83 4 ARG CB C 29.607 . . 21 83 4 ARG N N 123.724 . . 22 84 5 ALA H H 8.138 . . 23 84 5 ALA HA H 4.426 . . 24 84 5 ALA HB H 1.205 . . 25 84 5 ALA CA C 50.127 . . 26 84 5 ALA CB C 17.318 . . 27 84 5 ALA N N 127.546 . . 28 85 6 PRO HA H 4.286 . . 29 85 6 PRO HB2 H 1.728 . . 30 85 6 PRO HB3 H 2.121 . . 31 85 6 PRO HG2 H 1.850 . . 32 85 6 PRO HG3 H 1.850 . . 33 85 6 PRO HD2 H 3.626 . . 34 85 6 PRO HD3 H 3.470 . . 35 85 6 PRO C C 176.510 . . 36 85 6 PRO CA C 62.260 . . 37 85 6 PRO CB C 30.917 . . 38 85 6 PRO CG C 26.155 . . 39 85 6 PRO CD C 49.961 . . 40 86 7 LEU H H 8.068 . . 41 86 7 LEU HA H 4.076 . . 42 86 7 LEU HB2 H 1.245 . . 43 86 7 LEU HB3 H 1.372 . . 44 86 7 LEU HG H 1.451 . . 45 86 7 LEU HD1 H 0.734 . . 46 86 7 LEU HD2 H 0.685 . . 47 86 7 LEU C C 176.316 . . 48 86 7 LEU CA C 54.784 . . 49 86 7 LEU CB C 41.634 . . 50 86 7 LEU CG C 25.939 . . 51 86 7 LEU CD1 C 24.148 . . 52 86 7 LEU CD2 C 23.411 . . 53 86 7 LEU N N 122.728 . . 54 87 8 ASP H H 8.052 . . 55 87 8 ASP HA H 4.079 . . 56 87 8 ASP HB2 H 2.663 . . 57 87 8 ASP HB3 H 2.663 . . 58 87 8 ASP C C 176.129 . . 59 87 8 ASP CA C 52.074 . . 60 87 8 ASP CB C 40.191 . . 61 87 8 ASP N N 122.880 . . 62 88 9 PHE H H 8.444 . . 63 88 9 PHE HA H 4.139 . . 64 88 9 PHE HB2 H 2.921 . . 65 88 9 PHE HB3 H 3.036 . . 66 88 9 PHE HD1 H 7.033 . . 67 88 9 PHE HD2 H 7.033 . . 68 88 9 PHE HE1 H 7.197 . . 69 88 9 PHE HE2 H 7.197 . . 70 88 9 PHE C C 177.105 . . 71 88 9 PHE CA C 61.064 . . 72 88 9 PHE CB C 38.494 . . 73 88 9 PHE N N 123.499 . . 74 89 10 ARG H H 8.261 . . 75 89 10 ARG HA H 3.629 . . 76 89 10 ARG HB2 H 1.697 . . 77 89 10 ARG HB3 H 1.739 . . 78 89 10 ARG HG2 H 1.360 . . 79 89 10 ARG HG3 H 1.516 . . 80 89 10 ARG HD2 H 3.061 . . 81 89 10 ARG HD3 H 3.061 . . 82 89 10 ARG C C 178.521 . . 83 89 10 ARG CA C 59.648 . . 84 89 10 ARG CB C 28.365 . . 85 89 10 ARG CG C 27.067 . . 86 89 10 ARG N N 119.341 . . 87 90 11 GLY H H 8.196 . . 88 90 11 GLY HA2 H 3.634 . . 89 90 11 GLY HA3 H 3.716 . . 90 90 11 GLY C C 176.510 . . 91 90 11 GLY CA C 46.674 . . 92 90 11 GLY N N 108.766 . . 93 91 12 MET H H 8.068 . . 94 91 12 MET HA H 3.936 . . 95 91 12 MET HB2 H 1.889 . . 96 91 12 MET HB3 H 2.040 . . 97 91 12 MET HG2 H 2.320 . . 98 91 12 MET HG3 H 2.513 . . 99 91 12 MET HE H 1.840 . . 100 91 12 MET C C 178.328 . . 101 91 12 MET CA C 58.611 . . 102 91 12 MET CB C 31.322 . . 103 91 12 MET CG C 31.058 . . 104 91 12 MET CE C 16.276 . . 105 91 12 MET N N 122.721 . . 106 92 13 LEU H H 7.956 . . 107 92 13 LEU HA H 3.725 . . 108 92 13 LEU HB2 H 1.630 . . 109 92 13 LEU HB3 H 1.630 . . 110 92 13 LEU HG H 0.643 . . 111 92 13 LEU HD1 H 0.621 . . 112 92 13 LEU HD2 H 0.621 . . 113 92 13 LEU C C 178.295 . . 114 92 13 LEU CA C 57.469 . . 115 92 13 LEU CB C 40.202 . . 116 92 13 LEU CG C 24.468 . . 117 92 13 LEU CD1 C 22.527 . . 118 92 13 LEU CD2 C 22.527 . . 119 92 13 LEU N N 120.024 . . 120 93 14 ARG H H 7.940 . . 121 93 14 ARG HA H 3.768 . . 122 93 14 ARG HB2 H 1.779 . . 123 93 14 ARG HB3 H 1.779 . . 124 93 14 ARG HG2 H 1.459 . . 125 93 14 ARG HG3 H 1.638 . . 126 93 14 ARG HD2 H 3.077 . . 127 93 14 ARG HD3 H 3.077 . . 128 93 14 ARG C C 179.009 . . 129 93 14 ARG CA C 59.580 . . 130 93 14 ARG CB C 28.652 . . 131 93 14 ARG CG C 26.681 . . 132 93 14 ARG N N 118.872 . . 133 94 15 LYS H H 7.615 . . 134 94 15 LYS HA H 3.933 . . 135 94 15 LYS HB2 H 1.757 . . 136 94 15 LYS HB3 H 1.757 . . 137 94 15 LYS HE2 H 2.817 . . 138 94 15 LYS HE3 H 2.817 . . 139 94 15 LYS C C 178.328 . . 140 94 15 LYS CA C 58.643 . . 141 94 15 LYS CB C 31.021 . . 142 94 15 LYS N N 119.627 . . 143 95 16 LEU H H 7.953 . . 144 95 16 LEU HA H 3.734 . . 145 95 16 LEU HB2 H 1.208 . . 146 95 16 LEU HB3 H 1.208 . . 147 95 16 LEU HG H 0.641 . . 148 95 16 LEU HD1 H 0.609 . . 149 95 16 LEU HD2 H 0.609 . . 150 95 16 LEU CA C 57.671 . . 151 95 16 LEU CB C 40.183 . . 152 95 16 LEU CG C 24.491 . . 153 95 16 LEU CD1 C 22.797 . . 154 95 16 LEU CD2 C 22.797 . . 155 95 16 LEU N N 120.034 . . 156 108 29 LEU H H 8.057 . . 157 108 29 LEU HB2 H 1.696 . . 158 108 29 LEU HB3 H 1.696 . . 159 108 29 LEU HD1 H 0.597 . . 160 108 29 LEU HD2 H 0.597 . . 161 108 29 LEU C C 179.268 . . 162 108 29 LEU CA C 58.199 . . 163 108 29 LEU CD1 C 23.822 . . 164 108 29 LEU CD2 C 23.822 . . 165 108 29 LEU N N 121.474 . . 166 109 30 VAL H H 8.249 . . 167 109 30 VAL C C 178.230 . . 168 109 30 VAL CA C 66.583 . . 169 109 30 VAL CG1 C 22.038 . . 170 109 30 VAL CG2 C 22.038 . . 171 109 30 VAL N N 119.057 . . 172 110 31 VAL H H 8.022 . . 173 110 31 VAL HA H 3.418 . . 174 110 31 VAL HB H 2.048 . . 175 110 31 VAL HG1 H 0.833 . . 176 110 31 VAL HG2 H 0.571 . . 177 110 31 VAL CA C 66.959 . . 178 110 31 VAL CB C 30.327 . . 179 110 31 VAL CG1 C 20.627 . . 180 110 31 VAL CG2 C 21.523 . . 181 110 31 VAL N N 119.049 . . 182 113 34 ALA H H 8.170 . . 183 113 34 ALA HA H 3.596 . . 184 113 34 ALA HB H 1.158 . . 185 113 34 ALA C C 179.167 . . 186 113 34 ALA CB C 16.795 . . 187 113 34 ALA N N 120.085 . . 188 114 35 LEU H H 7.861 . . 189 114 35 LEU HA H 3.606 . . 190 114 35 LEU HD1 H 0.667 . . 191 114 35 LEU HD2 H 0.667 . . 192 114 35 LEU C C 176.691 . . 193 114 35 LEU CA C 58.152 . . 194 114 35 LEU CD1 C 25.125 . . 195 114 35 LEU CD2 C 25.125 . . 196 114 35 LEU N N 117.688 . . 197 115 36 LEU H H 8.194 . . 198 115 36 LEU HA H 3.645 . . 199 115 36 LEU HD1 H 0.652 . . 200 115 36 LEU HD2 H 0.652 . . 201 115 36 LEU CA C 58.533 . . 202 115 36 LEU N N 122.896 . . 203 116 37 VAL H H 7.939 . . 204 116 37 VAL CA C 67.530 . . 205 116 37 VAL N N 120.386 . . 206 117 38 LEU H H 7.867 . . 207 117 38 LEU HD1 H 0.567 . . 208 117 38 LEU HD2 H 0.567 . . 209 117 38 LEU C C 177.902 . . 210 117 38 LEU CA C 57.530 . . 211 117 38 LEU N N 121.831 . . 212 118 39 ALA H H 8.700 . . 213 118 39 ALA HA H 3.681 . . 214 118 39 ALA HB H 1.312 . . 215 118 39 ALA C C 177.836 . . 216 118 39 ALA CA C 55.150 . . 217 118 39 ALA CB C 17.108 . . 218 118 39 ALA N N 120.326 . . 219 119 40 GLU H H 7.601 . . 220 119 40 GLU HB2 H 1.790 . . 221 119 40 GLU HB3 H 1.790 . . 222 119 40 GLU C C 177.575 . . 223 119 40 GLU CA C 60.595 . . 224 119 40 GLU N N 118.224 . . 225 120 41 LEU H H 6.974 . . 226 120 41 LEU HB2 H 1.994 . . 227 120 41 LEU HB3 H 1.994 . . 228 120 41 LEU HD1 H 0.681 . . 229 120 41 LEU HD2 H 0.681 . . 230 120 41 LEU C C 179.486 . . 231 120 41 LEU CA C 57.189 . . 232 120 41 LEU CD1 C 23.393 . . 233 120 41 LEU CD2 C 23.393 . . 234 120 41 LEU N N 116.304 . . 235 121 42 ILE H H 7.799 . . 236 121 42 ILE HA H 3.840 . . 237 121 42 ILE HB H 1.791 . . 238 121 42 ILE HG12 H 0.952 . . 239 121 42 ILE HG13 H 0.952 . . 240 121 42 ILE HG2 H 0.722 . . 241 121 42 ILE HD1 H 0.625 . . 242 121 42 ILE C C 178.722 . . 243 121 42 ILE CA C 63.815 . . 244 121 42 ILE CG1 C 27.663 . . 245 121 42 ILE CG2 C 16.711 . . 246 121 42 ILE CD1 C 11.900 . . 247 121 42 ILE N N 118.294 . . 248 122 43 LEU H H 8.473 . . 249 122 43 LEU HA H 3.842 . . 250 122 43 LEU HB2 H 1.773 . . 251 122 43 LEU HB3 H 1.637 . . 252 122 43 LEU HG H 1.634 . . 253 122 43 LEU HD1 H 0.733 . . 254 122 43 LEU HD2 H 0.704 . . 255 122 43 LEU C C 179.493 . . 256 122 43 LEU CA C 57.698 . . 257 122 43 LEU CG C 26.379 . . 258 122 43 LEU CD1 C 22.618 . . 259 122 43 LEU CD2 C 24.235 . . 260 122 43 LEU N N 121.959 . . 261 123 44 ASP H H 7.316 . . 262 123 44 ASP HA H 3.848 . . 263 123 44 ASP HB2 H 2.916 . . 264 123 44 ASP HB3 H 2.916 . . 265 123 44 ASP C C 177.860 . . 266 123 44 ASP CA C 55.756 . . 267 123 44 ASP N N 119.008 . . 268 124 45 LEU H H 7.670 . . 269 124 45 LEU HA H 3.998 . . 270 124 45 LEU HB2 H 1.821 . . 271 124 45 LEU HB3 H 1.821 . . 272 124 45 LEU HD1 H 0.738 . . 273 124 45 LEU HD2 H 0.799 . . 274 124 45 LEU C C 177.839 . . 275 124 45 LEU CA C 56.492 . . 276 124 45 LEU CD1 C 22.152 . . 277 124 45 LEU CD2 C 24.680 . . 278 124 45 LEU N N 119.523 . . 279 125 46 LYS H H 7.520 . . 280 125 46 LYS HA H 4.195 . . 281 125 46 LYS HB2 H 1.795 . . 282 125 46 LYS HB3 H 1.681 . . 283 125 46 LYS HG2 H 1.313 . . 284 125 46 LYS HG3 H 1.313 . . 285 125 46 LYS HD2 H 1.542 . . 286 125 46 LYS HD3 H 1.542 . . 287 125 46 LYS HE2 H 2.806 . . 288 125 46 LYS HE3 H 2.806 . . 289 125 46 LYS C C 176.155 . . 290 125 46 LYS CA C 55.675 . . 291 125 46 LYS CB C 31.942 . . 292 125 46 LYS CG C 23.373 . . 293 125 46 LYS N N 116.280 . . 294 126 47 ILE H H 7.504 . . 295 126 47 ILE HA H 4.027 . . 296 126 47 ILE HB H 1.776 . . 297 126 47 ILE HG12 H 1.356 . . 298 126 47 ILE HG13 H 1.032 . . 299 126 47 ILE HG2 H 0.723 . . 300 126 47 ILE HD1 H 0.715 . . 301 126 47 ILE C C 175.576 . . 302 126 47 ILE CA C 61.089 . . 303 126 47 ILE CB C 38.110 . . 304 126 47 ILE CG1 C 26.274 . . 305 126 47 ILE CG2 C 16.470 . . 306 126 47 ILE CD1 C 12.011 . . 307 126 47 ILE N N 120.002 . . 308 127 48 ILE H H 7.991 . . 309 127 48 ILE HA H 3.922 . . 310 127 48 ILE HB H 1.750 . . 311 127 48 ILE HG12 H 1.339 . . 312 127 48 ILE HG13 H 1.047 . . 313 127 48 ILE HG2 H 0.723 . . 314 127 48 ILE HD1 H 0.700 . . 315 127 48 ILE C C 175.948 . . 316 127 48 ILE CA C 61.251 . . 317 127 48 ILE CB C 36.865 . . 318 127 48 ILE CG1 C 26.229 . . 319 127 48 ILE CG2 C 16.465 . . 320 127 48 ILE CD1 C 11.439 . . 321 127 48 ILE N N 124.842 . . 322 128 49 GLN H H 8.151 . . 323 128 49 GLN HA H 3.917 . . 324 128 49 GLN HB2 H 1.921 . . 325 128 49 GLN HB3 H 1.774 . . 326 128 49 GLN HG2 H 1.895 . . 327 128 49 GLN HG3 H 2.197 . . 328 128 49 GLN HE21 H 7.360 . . 329 128 49 GLN HE22 H 6.643 . . 330 128 49 GLN CA C 53.175 . . 331 128 49 GLN CB C 27.871 . . 332 128 49 GLN CG C 32.563 . . 333 128 49 GLN N N 124.341 . . 334 128 49 GLN NE2 N 112.818 . . 335 129 50 PRO HA H 4.220 . . 336 129 50 PRO HB2 H 2.056 . . 337 129 50 PRO HB3 H 2.056 . . 338 129 50 PRO HG2 H 1.794 . . 339 129 50 PRO HG3 H 1.794 . . 340 129 50 PRO HD2 H 3.535 . . 341 129 50 PRO HD3 H 3.535 . . 342 129 50 PRO C C 176.496 . . 343 129 50 PRO CA C 63.011 . . 344 129 50 PRO CB C 30.796 . . 345 129 50 PRO CG C 25.987 . . 346 129 50 PRO CD C 50.089 . . 347 130 51 ASP H H 8.226 . . 348 130 51 ASP HA H 4.227 . . 349 130 51 ASP HB2 H 2.506 . . 350 130 51 ASP HB3 H 2.554 . . 351 130 51 ASP C C 176.635 . . 352 130 51 ASP CA C 53.807 . . 353 130 51 ASP CB C 40.330 . . 354 130 51 ASP N N 120.290 . . 355 131 52 LYS H H 7.963 . . 356 131 52 LYS HA H 4.007 . . 357 131 52 LYS HB2 H 1.658 . . 358 131 52 LYS HB3 H 1.609 . . 359 131 52 LYS HG2 H 1.243 . . 360 131 52 LYS HG3 H 1.243 . . 361 131 52 LYS HE2 H 2.835 . . 362 131 52 LYS HE3 H 2.835 . . 363 131 52 LYS C C 176.146 . . 364 131 52 LYS CA C 56.469 . . 365 131 52 LYS CB C 31.532 . . 366 131 52 LYS CG C 23.285 . . 367 131 52 LYS CE C 41.775 . . 368 131 52 LYS N N 122.207 . . 369 132 53 ASN H H 8.271 . . 370 132 53 ASN HA H 4.008 . . 371 132 53 ASN HB2 H 2.545 . . 372 132 53 ASN HB3 H 2.646 . . 373 132 53 ASN HD21 H 7.462 . . 374 132 53 ASN HD22 H 6.692 . . 375 132 53 ASN C C 174.183 . . 376 132 53 ASN CA C 52.793 . . 377 132 53 ASN CB C 37.922 . . 378 132 53 ASN N N 118.342 . . 379 132 53 ASN ND2 N 113.664 . . 380 133 54 ASN H H 7.603 . . 381 133 54 ASN HA H 4.018 . . 382 133 54 ASN HB2 H 2.608 . . 383 133 54 ASN HB3 H 2.839 . . 384 133 54 ASN HD21 H 7.668 . . 385 133 54 ASN HD22 H 6.735 . . 386 133 54 ASN C C 175.773 . . 387 133 54 ASN CA C 52.184 . . 388 133 54 ASN CB C 37.789 . . 389 133 54 ASN N N 118.662 . . 390 133 54 ASN ND2 N 113.474 . . 391 134 55 TYR H H 8.510 . . 392 134 55 TYR HA H 4.137 . . 393 134 55 TYR HB2 H 2.848 . . 394 134 55 TYR HB3 H 2.890 . . 395 134 55 TYR HD1 H 7.007 . . 396 134 55 TYR HD2 H 7.007 . . 397 134 55 TYR HE1 H 6.697 . . 398 134 55 TYR HE2 H 6.697 . . 399 134 55 TYR C C 177.724 . . 400 134 55 TYR CA C 61.391 . . 401 134 55 TYR CB C 38.201 . . 402 134 55 TYR CD1 C 132.305 . . 403 134 55 TYR CD2 C 132.305 . . 404 134 55 TYR CE1 C 118.019 . . 405 134 55 TYR CE2 C 118.019 . . 406 134 55 TYR N N 125.259 . . 407 135 56 ALA H H 8.504 . . 408 135 56 ALA HA H 3.788 . . 409 135 56 ALA HB H 1.278 . . 410 135 56 ALA C C 178.752 . . 411 135 56 ALA CA C 55.358 . . 412 135 56 ALA CB C 16.678 . . 413 135 56 ALA N N 121.502 . . 414 136 57 ALA H H 7.600 . . 415 136 57 ALA HA H 3.772 . . 416 136 57 ALA HB H 0.946 . . 417 136 57 ALA C C 178.540 . . 418 136 57 ALA CA C 54.537 . . 419 136 57 ALA CB C 16.008 . . 420 136 57 ALA N N 119.336 . . 421 137 58 MET H H 7.679 . . 422 137 58 MET HA H 4.154 . . 423 137 58 MET HB2 H 2.079 . . 424 137 58 MET HB3 H 2.079 . . 425 137 58 MET HG2 H 2.237 . . 426 137 58 MET HG3 H 2.560 . . 427 137 58 MET HE H 1.848 . . 428 137 58 MET C C 177.967 . . 429 137 58 MET CA C 59.004 . . 430 137 58 MET CG C 30.673 . . 431 137 58 MET CE C 16.052 . . 432 137 58 MET N N 118.989 . . 433 138 59 VAL H H 8.030 . . 434 138 59 VAL HA H 3.785 . . 435 138 59 VAL HB H 1.835 . . 436 138 59 VAL HG1 H 0.982 . . 437 138 59 VAL HG2 H 0.982 . . 438 138 59 VAL C C 177.814 . . 439 138 59 VAL CA C 66.912 . . 440 138 59 VAL CG1 C 22.292 . . 441 138 59 VAL CG2 C 22.292 . . 442 138 59 VAL N N 118.989 . . 443 139 60 PHE H H 8.374 . . 444 139 60 PHE HD1 H 7.024 . . 445 139 60 PHE HD2 H 7.024 . . 446 139 60 PHE HE1 H 7.024 . . 447 139 60 PHE HE2 H 7.024 . . 448 139 60 PHE HZ H 7.024 . . 449 139 60 PHE C C 177.056 . . 450 139 60 PHE CA C 62.242 . . 451 139 60 PHE N N 120.596 . . 452 140 61 HIS H H 8.565 . . 453 140 61 HIS HA H 4.114 . . 454 140 61 HIS CA C 60.335 . . 455 140 61 HIS N N 119.220 . . 456 141 62 TYR H H 8.342 . . 457 141 62 TYR HB2 H 2.801 . . 458 141 62 TYR HB3 H 3.075 . . 459 141 62 TYR HD1 H 6.923 . . 460 141 62 TYR HD2 H 6.923 . . 461 141 62 TYR HE1 H 6.607 . . 462 141 62 TYR HE2 H 6.607 . . 463 141 62 TYR CA C 61.904 . . 464 141 62 TYR CD1 C 131.622 . . 465 141 62 TYR CD2 C 131.622 . . 466 141 62 TYR CE1 C 117.731 . . 467 141 62 TYR CE2 C 117.731 . . 468 141 62 TYR N N 119.716 . . 469 142 63 MET HE H 1.735 . . 470 142 63 MET CE C 15.238 . . 471 148 69 VAL HA H 3.411 . . 472 148 69 VAL HB H 2.084 . . 473 148 69 VAL HG1 H 0.533 . . 474 148 69 VAL HG2 H 0.533 . . 475 148 69 VAL CG1 C 19.913 . . 476 148 69 VAL CG2 C 19.913 . . 477 150 71 PHE H H 8.325 . . 478 150 71 PHE HA H 4.147 . . 479 150 71 PHE HB2 H 2.915 . . 480 150 71 PHE HB3 H 2.915 . . 481 150 71 PHE HD1 H 7.064 . . 482 150 71 PHE HD2 H 7.064 . . 483 150 71 PHE HE1 H 7.064 . . 484 150 71 PHE HE2 H 7.064 . . 485 150 71 PHE HZ H 7.064 . . 486 150 71 PHE C C 179.094 . . 487 150 71 PHE CA C 60.899 . . 488 150 71 PHE N N 119.534 . . 489 151 72 MET H H 8.322 . . 490 151 72 MET HA H 3.816 . . 491 151 72 MET HG2 H 2.355 . . 492 151 72 MET HG3 H 2.355 . . 493 151 72 MET HE H 1.763 . . 494 151 72 MET CA C 59.971 . . 495 151 72 MET CG C 31.607 . . 496 151 72 MET CE C 15.839 . . 497 151 72 MET N N 118.603 . . 498 152 73 MET HE H 1.522 . . 499 152 73 MET CE C 15.785 . . 500 162 83 ARG C C 175.979 . . 501 162 83 ARG CA C 54.820 . . 502 163 84 LEU H H 8.130 . . 503 163 84 LEU C C 174.524 . . 504 163 84 LEU CA C 54.815 . . 505 163 84 LEU N N 119.926 . . 506 164 85 GLU H H 8.048 . . 507 164 85 GLU HA H 4.074 . . 508 164 85 GLU CA C 56.668 . . 509 164 85 GLU N N 123.048 . . 510 165 86 PHE H H 8.359 . . 511 165 86 PHE CA C 57.709 . . 512 165 86 PHE N N 117.098 . . 513 166 87 PHE H H 8.008 . . 514 166 87 PHE CA C 57.598 . . 515 166 87 PHE N N 118.611 . . 516 167 88 HIS H H 7.861 . . 517 167 88 HIS C C 173.578 . . 518 167 88 HIS CA C 53.656 . . 519 167 88 HIS N N 118.688 . . 520 168 89 HIS H H 7.903 . . 521 168 89 HIS CA C 53.631 . . 522 168 89 HIS N N 118.913 . . 523 169 90 LYS H H 7.956 . . 524 169 90 LYS HA H 4.194 . . 525 169 90 LYS C C 177.024 . . 526 169 90 LYS CA C 56.000 . . 527 169 90 LYS N N 122.240 . . 528 170 91 PHE H H 7.917 . . 529 170 91 PHE HA H 4.197 . . 530 170 91 PHE HB2 H 2.850 . . 531 170 91 PHE HB3 H 2.850 . . 532 170 91 PHE CA C 62.178 . . 533 170 91 PHE N N 115.125 . . 534 171 92 GLU H H 7.815 . . 535 171 92 GLU CA C 61.560 . . 536 171 92 GLU N N 121.155 . . 537 172 93 ILE H H 7.773 . . 538 172 93 ILE C C 177.135 . . 539 172 93 ILE CA C 64.509 . . 540 172 93 ILE N N 119.284 . . 541 173 94 LEU H H 7.900 . . 542 173 94 LEU HG H 1.378 . . 543 173 94 LEU HD1 H 0.293 . . 544 173 94 LEU HD2 H -0.139 . . 545 173 94 LEU CA C 57.442 . . 546 173 94 LEU CG C 25.449 . . 547 173 94 LEU CD1 C 24.802 . . 548 173 94 LEU CD2 C 20.772 . . 549 173 94 LEU N N 119.152 . . 550 174 95 ASP H H 7.868 . . 551 174 95 ASP HB2 H 2.806 . . 552 174 95 ASP HB3 H 2.806 . . 553 174 95 ASP CA C 56.688 . . 554 174 95 ASP N N 113.864 . . 555 175 96 ALA H H 8.006 . . 556 175 96 ALA HA H 3.774 . . 557 175 96 ALA HB H 1.434 . . 558 175 96 ALA C C 178.632 . . 559 175 96 ALA CA C 54.668 . . 560 175 96 ALA CB C 17.300 . . 561 175 96 ALA N N 118.996 . . 562 176 97 VAL H H 8.239 . . 563 176 97 VAL HA H 3.299 . . 564 176 97 VAL HB H 2.131 . . 565 176 97 VAL HG1 H 0.900 . . 566 176 97 VAL HG2 H 0.900 . . 567 176 97 VAL CA C 67.027 . . 568 176 97 VAL CG1 C 22.200 . . 569 176 97 VAL CG2 C 22.200 . . 570 176 97 VAL N N 117.840 . . 571 177 98 VAL H H 8.033 . . 572 177 98 VAL HA H 3.386 . . 573 177 98 VAL HG1 H 0.804 . . 574 177 98 VAL HG2 H 0.804 . . 575 177 98 VAL CG1 C 22.016 . . 576 177 98 VAL CG2 C 22.016 . . 577 178 99 VAL HA H 3.399 . . 578 178 99 VAL HB H 1.996 . . 579 178 99 VAL HG1 H 0.779 . . 580 178 99 VAL HG2 H 0.779 . . 581 178 99 VAL CG1 C 20.529 . . 582 178 99 VAL CG2 C 20.529 . . 583 179 100 VAL H H 8.049 . . 584 179 100 VAL HA H 3.286 . . 585 179 100 VAL HB H 2.058 . . 586 179 100 VAL HG1 H 0.693 . . 587 179 100 VAL HG2 H 0.693 . . 588 179 100 VAL C C 177.235 . . 589 179 100 VAL CA C 66.980 . . 590 179 100 VAL CG1 C 20.575 . . 591 179 100 VAL CG2 C 20.575 . . 592 179 100 VAL N N 120.921 . . 593 180 101 VAL H H 8.476 . . 594 180 101 VAL HA H 3.389 . . 595 180 101 VAL HB H 2.009 . . 596 180 101 VAL HG1 H 0.817 . . 597 180 101 VAL HG2 H 0.817 . . 598 180 101 VAL C C 177.277 . . 599 180 101 VAL CA C 66.930 . . 600 180 101 VAL CG1 C 22.130 . . 601 180 101 VAL CG2 C 22.130 . . 602 180 101 VAL N N 117.805 . . 603 181 102 SER H H 7.946 . . 604 181 102 SER C C 178.003 . . 605 181 102 SER CA C 61.965 . . 606 181 102 SER N N 115.348 . . 607 182 103 PHE H H 7.970 . . 608 182 103 PHE HD1 H 6.973 . . 609 182 103 PHE HD2 H 6.973 . . 610 182 103 PHE HE1 H 6.973 . . 611 182 103 PHE HE2 H 6.973 . . 612 182 103 PHE HZ H 6.973 . . 613 182 103 PHE CA C 60.562 . . 614 182 103 PHE N N 118.914 . . 615 183 104 ILE H H 7.604 . . 616 183 104 ILE HA H 3.208 . . 617 183 104 ILE HB H 1.805 . . 618 183 104 ILE HG2 H 0.639 . . 619 183 104 ILE HD1 H 0.638 . . 620 183 104 ILE CA C 64.755 . . 621 183 104 ILE CG2 C 16.082 . . 622 183 104 ILE CD1 C 11.886 . . 623 183 104 ILE N N 116.560 . . 624 184 105 LEU H H 8.018 . . 625 184 105 LEU HD1 H 0.627 . . 626 184 105 LEU HD2 H 0.627 . . 627 184 105 LEU C C 177.871 . . 628 184 105 LEU CA C 57.598 . . 629 184 105 LEU N N 118.889 . . 630 185 106 ASP H H 8.797 . . 631 185 106 ASP C C 179.058 . . 632 185 106 ASP CA C 55.880 . . 633 185 106 ASP N N 119.205 . . 634 186 107 ILE H H 7.363 . . 635 186 107 ILE HA H 3.463 . . 636 186 107 ILE HB H 1.891 . . 637 186 107 ILE HG12 H 0.387 . . 638 186 107 ILE HG13 H 0.387 . . 639 186 107 ILE HG2 H 0.759 . . 640 186 107 ILE HD1 H 0.134 . . 641 186 107 ILE C C 178.665 . . 642 186 107 ILE CA C 65.070 . . 643 186 107 ILE CG1 C 28.112 . . 644 186 107 ILE CG2 C 17.077 . . 645 186 107 ILE CD1 C 12.129 . . 646 186 107 ILE N N 119.899 . . 647 187 108 VAL H H 7.783 . . 648 187 108 VAL HA H 3.388 . . 649 187 108 VAL HB H 2.166 . . 650 187 108 VAL HG1 H 1.014 . . 651 187 108 VAL HG2 H 0.903 . . 652 187 108 VAL C C 177.701 . . 653 187 108 VAL CA C 67.452 . . 654 187 108 VAL CG1 C 21.753 . . 655 187 108 VAL CG2 C 22.148 . . 656 187 108 VAL N N 121.361 . . 657 188 109 LEU H H 7.322 . . 658 188 109 LEU HA H 4.164 . . 659 188 109 LEU HB2 H 1.602 . . 660 188 109 LEU HB3 H 1.602 . . 661 188 109 LEU HD1 H 0.691 . . 662 188 109 LEU HD2 H 0.691 . . 663 188 109 LEU C C 177.701 . . 664 188 109 LEU CA C 55.541 . . 665 188 109 LEU N N 116.839 . . 666 189 110 LEU H H 7.446 . . 667 189 110 LEU HA H 4.078 . . 668 189 110 LEU HB2 H 1.793 . . 669 189 110 LEU HB3 H 1.667 . . 670 189 110 LEU HD1 H 0.685 . . 671 189 110 LEU HD2 H 0.685 . . 672 189 110 LEU C C 176.488 . . 673 189 110 LEU CA C 55.452 . . 674 189 110 LEU CD1 C 25.758 . . 675 189 110 LEU CD2 C 25.758 . . 676 189 110 LEU N N 117.902 . . 677 190 111 PHE H H 7.286 . . 678 190 111 PHE HA H 4.290 . . 679 190 111 PHE HB2 H 2.723 . . 680 190 111 PHE HB3 H 2.972 . . 681 190 111 PHE HD1 H 7.280 . . 682 190 111 PHE HD2 H 7.280 . . 683 190 111 PHE HE1 H 7.023 . . 684 190 111 PHE HE2 H 7.023 . . 685 190 111 PHE HZ H 6.925 . . 686 190 111 PHE C C 175.931 . . 687 190 111 PHE CA C 59.591 . . 688 190 111 PHE CD1 C 131.915 . . 689 190 111 PHE CD2 C 131.915 . . 690 190 111 PHE CE1 C 130.367 . . 691 190 111 PHE CE2 C 130.367 . . 692 190 111 PHE CZ C 128.572 . . 693 190 111 PHE N N 115.194 . . 694 191 112 GLN H H 8.415 . . 695 191 112 GLN HA H 4.281 . . 696 191 112 GLN HB2 H 1.681 . . 697 191 112 GLN HB3 H 1.757 . . 698 191 112 GLN HG2 H 1.956 . . 699 191 112 GLN HG3 H 2.038 . . 700 191 112 GLN HE21 H 7.279 . . 701 191 112 GLN HE22 H 6.645 . . 702 191 112 GLN C C 173.360 . . 703 191 112 GLN CA C 53.685 . . 704 191 112 GLN CG C 32.645 . . 705 191 112 GLN N N 122.709 . . 706 191 112 GLN NE2 N 111.623 . . 707 192 113 GLU H H 8.119 . . 708 192 113 GLU HB2 H 1.688 . . 709 192 113 GLU HB3 H 1.688 . . 710 192 113 GLU HG2 H 1.983 . . 711 192 113 GLU HG3 H 1.983 . . 712 192 113 GLU C C 176.847 . . 713 192 113 GLU CA C 56.550 . . 714 192 113 GLU CG C 32.650 . . 715 192 113 GLU N N 123.974 . . 716 193 114 HIS H H 9.297 . . 717 193 114 HIS C C 172.115 . . 718 193 114 HIS CA C 57.354 . . 719 193 114 HIS N N 119.168 . . 720 194 115 GLN H H 6.674 . . 721 194 115 GLN HB2 H 2.030 . . 722 194 115 GLN HB3 H 2.030 . . 723 194 115 GLN HG2 H 2.288 . . 724 194 115 GLN HG3 H 2.288 . . 725 194 115 GLN HE21 H 7.581 . . 726 194 115 GLN HE22 H 7.074 . . 727 194 115 GLN C C 178.197 . . 728 194 115 GLN CA C 57.914 . . 729 194 115 GLN N N 121.694 . . 730 194 115 GLN NE2 N 112.803 . . 731 195 116 PHE H H 8.538 . . 732 195 116 PHE HA H 3.731 . . 733 195 116 PHE HB2 H 3.143 . . 734 195 116 PHE HB3 H 2.761 . . 735 195 116 PHE HD1 H 7.122 . . 736 195 116 PHE HD2 H 7.122 . . 737 195 116 PHE HE1 H 7.122 . . 738 195 116 PHE HE2 H 7.122 . . 739 195 116 PHE HZ H 7.122 . . 740 195 116 PHE C C 177.688 . . 741 195 116 PHE CA C 62.800 . . 742 195 116 PHE CB C 39.107 . . 743 195 116 PHE N N 128.035 . . 744 196 117 GLU H H 8.156 . . 745 196 117 GLU C C 178.752 . . 746 196 117 GLU CA C 55.176 . . 747 196 117 GLU N N 120.110 . . 748 197 118 ALA H H 7.591 . . 749 197 118 ALA HB H 1.290 . . 750 197 118 ALA C C 178.388 . . 751 197 118 ALA CA C 54.537 . . 752 197 118 ALA CB C 16.744 . . 753 197 118 ALA N N 119.501 . . 754 198 119 LEU H H 8.161 . . 755 198 119 LEU HB2 H 1.187 . . 756 198 119 LEU HB3 H 1.187 . . 757 198 119 LEU HG H 0.576 . . 758 198 119 LEU HD1 H 0.079 . . 759 198 119 LEU HD2 H 0.004 . . 760 198 119 LEU C C 178.799 . . 761 198 119 LEU CA C 58.185 . . 762 198 119 LEU CG C 27.666 . . 763 198 119 LEU CD1 C 25.300 . . 764 198 119 LEU CD2 C 23.578 . . 765 198 119 LEU N N 117.886 . . 766 199 120 GLY H H 8.150 . . 767 199 120 GLY HA2 H 3.151 . . 768 199 120 GLY HA3 H 3.353 . . 769 199 120 GLY C C 174.709 . . 770 199 120 GLY CA C 46.898 . . 771 199 120 GLY N N 105.564 . . 772 200 121 LEU H H 7.923 . . 773 200 121 LEU HA H 3.804 . . 774 200 121 LEU HB2 H 1.605 . . 775 200 121 LEU HB3 H 1.605 . . 776 200 121 LEU HG H 1.619 . . 777 200 121 LEU HD1 H 0.664 . . 778 200 121 LEU HD2 H 0.664 . . 779 200 121 LEU C C 179.094 . . 780 200 121 LEU CA C 57.722 . . 781 200 121 LEU CG C 26.369 . . 782 200 121 LEU CD1 C 23.788 . . 783 200 121 LEU CD2 C 23.788 . . 784 200 121 LEU N N 120.206 . . 785 201 122 LEU H H 8.329 . . 786 201 122 LEU HA H 3.437 . . 787 201 122 LEU HB2 H 1.608 . . 788 201 122 LEU HB3 H 1.608 . . 789 201 122 LEU HG H 1.802 . . 790 201 122 LEU HD1 H 0.957 . . 791 201 122 LEU HD2 H 0.957 . . 792 201 122 LEU C C 179.950 . . 793 201 122 LEU CA C 58.022 . . 794 201 122 LEU CD1 C 22.930 . . 795 201 122 LEU CD2 C 22.930 . . 796 201 122 LEU N N 118.680 . . 797 202 123 ILE H H 8.156 . . 798 202 123 ILE HA H 3.364 . . 799 202 123 ILE HB H 2.071 . . 800 202 123 ILE HG2 H 0.686 . . 801 202 123 ILE HD1 H 0.832 . . 802 202 123 ILE C C 176.714 . . 803 202 123 ILE CA C 67.446 . . 804 202 123 ILE CG2 C 16.116 . . 805 202 123 ILE CD1 C 13.082 . . 806 202 123 ILE N N 120.388 . . 807 203 124 LEU H H 7.024 . . 808 203 124 LEU HA H 3.865 . . 809 203 124 LEU HB2 H 1.744 . . 810 203 124 LEU HB3 H 1.744 . . 811 203 124 LEU HG H 1.738 . . 812 203 124 LEU HD1 H 0.654 . . 813 203 124 LEU HD2 H 0.654 . . 814 203 124 LEU C C 178.350 . . 815 203 124 LEU CA C 57.944 . . 816 203 124 LEU CG C 25.586 . . 817 203 124 LEU CD1 C 22.097 . . 818 203 124 LEU CD2 C 22.097 . . 819 203 124 LEU N N 117.479 . . 820 204 125 LEU H H 8.593 . . 821 204 125 LEU HA H 3.863 . . 822 204 125 LEU HB2 H 1.777 . . 823 204 125 LEU HB3 H 1.777 . . 824 204 125 LEU HG H 1.734 . . 825 204 125 LEU HD1 H 0.673 . . 826 204 125 LEU HD2 H 0.673 . . 827 204 125 LEU C C 179.748 . . 828 204 125 LEU CA C 57.843 . . 829 204 125 LEU CG C 25.621 . . 830 204 125 LEU CD1 C 23.651 . . 831 204 125 LEU CD2 C 23.651 . . 832 204 125 LEU N N 118.076 . . 833 205 126 ARG H H 8.707 . . 834 205 126 ARG HA H 3.907 . . 835 205 126 ARG HB2 H 1.738 . . 836 205 126 ARG HB3 H 1.802 . . 837 205 126 ARG HD2 H 3.053 . . 838 205 126 ARG HD3 H 3.053 . . 839 205 126 ARG CA C 59.404 . . 840 205 126 ARG CD C 42.350 . . 841 205 126 ARG N N 118.385 . . 842 207 128 TRP HD1 H 6.867 . . 843 207 128 TRP HE1 H 10.383 . . 844 207 128 TRP HZ2 H 7.213 . . 845 207 128 TRP CD1 C 130.143 . . 846 207 128 TRP CZ2 C 113.986 . . 847 207 128 TRP NE1 N 129.856 . . 848 212 133 ILE C C 178.366 . . 849 213 134 ILE H H 8.164 . . 850 213 134 ILE HA H 3.361 . . 851 213 134 ILE HB H 1.730 . . 852 213 134 ILE HG12 H 0.818 . . 853 213 134 ILE HG13 H 0.818 . . 854 213 134 ILE HG2 H 0.698 . . 855 213 134 ILE HD1 H 0.514 . . 856 213 134 ILE C C 177.500 . . 857 213 134 ILE CA C 65.211 . . 858 213 134 ILE CG1 C 28.087 . . 859 213 134 ILE CG2 C 16.259 . . 860 213 134 ILE CD1 C 12.053 . . 861 213 134 ILE N N 120.259 . . 862 214 135 ASN H H 8.354 . . 863 214 135 ASN HB2 H 2.456 . . 864 214 135 ASN HB3 H 2.576 . . 865 214 135 ASN HD21 H 7.435 . . 866 214 135 ASN HD22 H 6.494 . . 867 214 135 ASN C C 176.755 . . 868 214 135 ASN CA C 56.706 . . 869 214 135 ASN CB C 38.290 . . 870 214 135 ASN N N 118.190 . . 871 214 135 ASN ND2 N 112.753 . . 872 215 136 GLY H H 7.759 . . 873 215 136 GLY HA2 H 3.635 . . 874 215 136 GLY HA3 H 3.711 . . 875 215 136 GLY C C 176.337 . . 876 215 136 GLY CA C 46.515 . . 877 215 136 GLY N N 105.124 . . 878 216 137 ILE H H 7.800 . . 879 216 137 ILE HA H 3.378 . . 880 216 137 ILE HB H 1.772 . . 881 216 137 ILE HG2 H 0.533 . . 882 216 137 ILE HD1 H 0.552 . . 883 216 137 ILE C C 177.135 . . 884 216 137 ILE CA C 65.488 . . 885 216 137 ILE CG2 C 16.160 . . 886 216 137 ILE CD1 C 12.554 . . 887 216 137 ILE N N 123.281 . . 888 217 138 ILE H H 7.911 . . 889 217 138 ILE HA H 3.374 . . 890 217 138 ILE HB H 1.687 . . 891 217 138 ILE HG12 H 0.860 . . 892 217 138 ILE HG13 H 0.860 . . 893 217 138 ILE HD1 H 0.681 . . 894 217 138 ILE C C 177.828 . . 895 217 138 ILE CA C 65.442 . . 896 217 138 ILE CG1 C 27.974 . . 897 217 138 ILE CD1 C 12.759 . . 898 217 138 ILE N N 119.804 . . 899 218 139 ILE H H 7.947 . . 900 218 139 ILE HA H 3.699 . . 901 218 139 ILE HB H 1.774 . . 902 218 139 ILE HG12 H 1.403 . . 903 218 139 ILE HG13 H 1.130 . . 904 218 139 ILE HG2 H 0.745 . . 905 218 139 ILE HD1 H 0.648 . . 906 218 139 ILE C C 178.373 . . 907 218 139 ILE CA C 63.808 . . 908 218 139 ILE CB C 36.780 . . 909 218 139 ILE CG1 C 27.214 . . 910 218 139 ILE CG2 C 16.537 . . 911 218 139 ILE CD1 C 11.992 . . 912 218 139 ILE N N 117.620 . . 913 219 140 SER H H 7.724 . . 914 219 140 SER HA H 4.122 . . 915 219 140 SER HB2 H 3.742 . . 916 219 140 SER HB3 H 3.826 . . 917 219 140 SER C C 175.375 . . 918 219 140 SER CA C 61.391 . . 919 219 140 SER N N 117.639 . . 920 220 141 VAL H H 7.780 . . 921 220 141 VAL HA H 3.789 . . 922 220 141 VAL HB H 2.080 . . 923 220 141 VAL HG1 H 0.881 . . 924 220 141 VAL HG2 H 0.808 . . 925 220 141 VAL C C 176.631 . . 926 220 141 VAL CA C 63.945 . . 927 220 141 VAL CB C 30.750 . . 928 220 141 VAL CG1 C 20.814 . . 929 220 141 VAL CG2 C 20.728 . . 930 220 141 VAL N N 119.307 . . 931 221 142 LYS H H 7.872 . . 932 221 142 LYS HA H 4.097 . . 933 221 142 LYS HB2 H 1.754 . . 934 221 142 LYS HB3 H 1.703 . . 935 221 142 LYS HG2 H 1.384 . . 936 221 142 LYS HG3 H 1.293 . . 937 221 142 LYS HD2 H 1.509 . . 938 221 142 LYS HD3 H 1.509 . . 939 221 142 LYS HE2 H 2.807 . . 940 221 142 LYS HE3 H 2.807 . . 941 221 142 LYS C C 177.285 . . 942 221 142 LYS CA C 57.399 . . 943 221 142 LYS CB C 31.603 . . 944 221 142 LYS CG C 23.645 . . 945 221 142 LYS CD C 27.966 . . 946 221 142 LYS CE C 41.577 . . 947 221 142 LYS N N 121.623 . . 948 222 143 THR H H 7.869 . . 949 222 143 THR HA H 4.138 . . 950 222 143 THR HB H 4.118 . . 951 222 143 THR HG2 H 1.093 . . 952 222 143 THR C C 174.741 . . 953 222 143 THR CA C 62.260 . . 954 222 143 THR CB C 69.400 . . 955 222 143 THR CG2 C 20.537 . . 956 222 143 THR N N 113.908 . . 957 223 144 ARG H H 7.913 . . 958 223 144 ARG HA H 4.196 . . 959 223 144 ARG HB2 H 1.682 . . 960 223 144 ARG HB3 H 1.767 . . 961 223 144 ARG HG2 H 1.512 . . 962 223 144 ARG HG3 H 1.512 . . 963 223 144 ARG HD2 H 3.043 . . 964 223 144 ARG HD3 H 3.043 . . 965 223 144 ARG C C 176.122 . . 966 223 144 ARG CA C 56.142 . . 967 223 144 ARG CB C 29.220 . . 968 223 144 ARG CG C 26.056 . . 969 223 144 ARG CD C 42.348 . . 970 223 144 ARG N N 123.011 . . 971 224 145 SER H H 8.074 . . 972 224 145 SER HA H 4.321 . . 973 224 145 SER HB2 H 3.725 . . 974 224 145 SER HB3 H 3.725 . . 975 224 145 SER C C 174.280 . . 976 224 145 SER CA C 58.141 . . 977 224 145 SER CB C 63.573 . . 978 224 145 SER N N 116.858 . . 979 225 146 GLU H H 8.170 . . 980 225 146 GLU HA H 4.171 . . 981 225 146 GLU HB2 H 1.791 . . 982 225 146 GLU HB3 H 1.939 . . 983 225 146 GLU HG2 H 2.123 . . 984 225 146 GLU HG3 H 2.123 . . 985 225 146 GLU C C 175.322 . . 986 225 146 GLU CA C 56.357 . . 987 225 146 GLU CB C 29.139 . . 988 225 146 GLU N N 123.588 . . 989 226 147 ARG H H 7.689 . . 990 226 147 ARG HA H 4.013 . . 991 226 147 ARG HB2 H 1.559 . . 992 226 147 ARG HB3 H 1.684 . . 993 226 147 ARG HG2 H 1.431 . . 994 226 147 ARG HG3 H 1.431 . . 995 226 147 ARG HD2 H 3.031 . . 996 226 147 ARG HD3 H 3.031 . . 997 226 147 ARG CA C 57.049 . . 998 226 147 ARG CB C 30.428 . . 999 226 147 ARG CG C 26.006 . . 1000 226 147 ARG N N 126.412 . . stop_ save_