data_27488 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ASK1-TBD ; _BMRB_accession_number 27488 _BMRB_flat_file_name bmr27488.str _Entry_type original _Submission_date 2018-05-22 _Accession_date 2018-05-22 _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 Psenakova Katarina . . 2 Veverka Vaclav . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 362 "13C chemical shifts" 374 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-06 original BMRB . stop_ _Original_release_date 2018-05-22 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The redox-active site of thioredoxin is directly involved in apoptosis signal-regulating kinase 1 binding that is modulated by oxidative stress ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31623019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Psenakova Katarina . . 2 Hexnerova Rozalie . . 3 Srb Pavel . . 4 Obsilova Veronika . . 5 Veverka Vaclav . . 6 Obsil Tomas . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume 287 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1626 _Page_last 1644 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ASK1-TBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ASK1-TBD $ASK1-TBD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ASK1-TBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ASK1-TBD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; GAMGSSRRTTVAYVINEASQ GQLVVAESEALQSLREACET VGATLETLHFGKLDFGETTV LDRFYNADIAVVEMSDAFRQ PSLFYHLGVRESFSMANNII LYCDTNSDSLQSLKEIICQK NTMCTGNYTFVPYMITPHNK VYCCDSSFMKGLTELMQPNF ELLLGPICLPLVDRFIQLLK VAQAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 83 GLY 2 84 ALA 3 85 MET 4 86 GLY 5 87 SER 6 88 SER 7 89 ARG 8 90 ARG 9 91 THR 10 92 THR 11 93 VAL 12 94 ALA 13 95 TYR 14 96 VAL 15 97 ILE 16 98 ASN 17 99 GLU 18 100 ALA 19 101 SER 20 102 GLN 21 103 GLY 22 104 GLN 23 105 LEU 24 106 VAL 25 107 VAL 26 108 ALA 27 109 GLU 28 110 SER 29 111 GLU 30 112 ALA 31 113 LEU 32 114 GLN 33 115 SER 34 116 LEU 35 117 ARG 36 118 GLU 37 119 ALA 38 120 CYS 39 121 GLU 40 122 THR 41 123 VAL 42 124 GLY 43 125 ALA 44 126 THR 45 127 LEU 46 128 GLU 47 129 THR 48 130 LEU 49 131 HIS 50 132 PHE 51 133 GLY 52 134 LYS 53 135 LEU 54 136 ASP 55 137 PHE 56 138 GLY 57 139 GLU 58 140 THR 59 141 THR 60 142 VAL 61 143 LEU 62 144 ASP 63 145 ARG 64 146 PHE 65 147 TYR 66 148 ASN 67 149 ALA 68 150 ASP 69 151 ILE 70 152 ALA 71 153 VAL 72 154 VAL 73 155 GLU 74 156 MET 75 157 SER 76 158 ASP 77 159 ALA 78 160 PHE 79 161 ARG 80 162 GLN 81 163 PRO 82 164 SER 83 165 LEU 84 166 PHE 85 167 TYR 86 168 HIS 87 169 LEU 88 170 GLY 89 171 VAL 90 172 ARG 91 173 GLU 92 174 SER 93 175 PHE 94 176 SER 95 177 MET 96 178 ALA 97 179 ASN 98 180 ASN 99 181 ILE 100 182 ILE 101 183 LEU 102 184 TYR 103 185 CYS 104 186 ASP 105 187 THR 106 188 ASN 107 189 SER 108 190 ASP 109 191 SER 110 192 LEU 111 193 GLN 112 194 SER 113 195 LEU 114 196 LYS 115 197 GLU 116 198 ILE 117 199 ILE 118 200 CYS 119 201 GLN 120 202 LYS 121 203 ASN 122 204 THR 123 205 MET 124 206 CYS 125 207 THR 126 208 GLY 127 209 ASN 128 210 TYR 129 211 THR 130 212 PHE 131 213 VAL 132 214 PRO 133 215 TYR 134 216 MET 135 217 ILE 136 218 THR 137 219 PRO 138 220 HIS 139 221 ASN 140 222 LYS 141 223 VAL 142 224 TYR 143 225 CYS 144 226 CYS 145 227 ASP 146 228 SER 147 229 SER 148 230 PHE 149 231 MET 150 232 LYS 151 233 GLY 152 234 LEU 153 235 THR 154 236 GLU 155 237 LEU 156 238 MET 157 239 GLN 158 240 PRO 159 241 ASN 160 242 PHE 161 243 GLU 162 244 LEU 163 245 LEU 164 246 LEU 165 247 GLY 166 248 PRO 167 249 ILE 168 250 CYS 169 251 LEU 170 252 PRO 171 253 LEU 172 254 VAL 173 255 ASP 174 256 ARG 175 257 PHE 176 258 ILE 177 259 GLN 178 260 LEU 179 261 LEU 180 262 LYS 181 263 VAL 182 264 ALA 183 265 GLN 184 266 ALA 185 267 SER 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 $ASK1-TBD Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ASK1-TBD 'recombinant technology' . Escherichia coli . N/A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASK1-TBD 300 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.2 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ASK1-TBD _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 84 2 ALA C C 178.002 0.150 . 2 84 2 ALA CA C 52.704 0.150 . 3 84 2 ALA CB C 19.227 0.150 . 4 85 3 MET H H 8.567 0.015 . 5 85 3 MET C C 176.932 0.150 . 6 85 3 MET CA C 55.817 0.150 . 7 85 3 MET CB C 32.604 0.150 . 8 85 3 MET N N 119.967 0.150 . 9 86 4 GLY H H 8.455 0.015 . 10 86 4 GLY CA C 45.456 0.150 . 11 86 4 GLY N N 110.578 0.150 . 12 87 5 SER H H 8.243 0.015 . 13 87 5 SER C C 175.863 0.150 . 14 87 5 SER CA C 58.332 0.150 . 15 87 5 SER CB C 64.079 0.150 . 16 87 5 SER N N 115.681 0.150 . 17 88 6 SER H H 8.392 0.015 . 18 88 6 SER C C 174.046 0.150 . 19 88 6 SER CA C 58.456 0.150 . 20 88 6 SER CB C 63.928 0.150 . 21 88 6 SER N N 117.575 0.150 . 22 89 7 ARG H H 8.252 0.015 . 23 89 7 ARG HB2 H 1.813 0.015 . 24 89 7 ARG HB3 H 1.813 0.015 . 25 89 7 ARG HG2 H 1.595 0.015 . 26 89 7 ARG HG3 H 1.595 0.015 . 27 89 7 ARG C C 175.747 0.150 . 28 89 7 ARG CA C 55.895 0.150 . 29 89 7 ARG CB C 31.095 0.150 . 30 89 7 ARG N N 122.831 0.150 . 31 90 8 ARG H H 8.430 0.015 . 32 90 8 ARG HB2 H 1.843 0.015 . 33 90 8 ARG HB3 H 1.843 0.015 . 34 90 8 ARG HG2 H 1.703 0.015 . 35 90 8 ARG HG3 H 1.703 0.015 . 36 90 8 ARG HD2 H 3.135 0.015 . 37 90 8 ARG HD3 H 3.135 0.015 . 38 90 8 ARG C C 176.261 0.150 . 39 90 8 ARG CA C 55.854 0.150 . 40 90 8 ARG CB C 31.259 0.150 . 41 90 8 ARG N N 124.393 0.150 . 42 91 9 THR H H 8.688 0.015 . 43 91 9 THR HB H 4.468 0.015 . 44 91 9 THR HG2 H 1.106 0.015 . 45 91 9 THR C C 173.478 0.150 . 46 91 9 THR CA C 63.351 0.150 . 47 91 9 THR CB C 70.344 0.150 . 48 91 9 THR N N 122.461 0.150 . 49 92 10 THR H H 9.624 0.015 . 50 92 10 THR HB H 4.394 0.015 . 51 92 10 THR HG2 H 1.115 0.015 . 52 92 10 THR C C 173.312 0.150 . 53 92 10 THR CA C 60.474 0.150 . 54 92 10 THR CB C 71.217 0.150 . 55 92 10 THR N N 120.499 0.150 . 56 93 11 VAL H H 8.758 0.015 . 57 93 11 VAL HB H 1.903 0.015 . 58 93 11 VAL HG1 H 0.689 0.015 . 59 93 11 VAL HG2 H 1.176 0.015 . 60 93 11 VAL C C 174.204 0.150 . 61 93 11 VAL CA C 59.785 0.150 . 62 93 11 VAL CB C 33.685 0.150 . 63 93 11 VAL N N 124.777 0.150 . 64 94 12 ALA HB H 1.215 0.015 . 65 94 12 ALA H H 8.984 0.015 . 66 94 12 ALA C C 174.690 0.150 . 67 94 12 ALA CA C 49.888 0.150 . 68 94 12 ALA CB C 20.892 0.150 . 69 94 12 ALA N N 129.326 0.150 . 70 95 13 TYR H H 8.552 0.015 . 71 95 13 TYR HB2 H 2.506 0.015 . 72 95 13 TYR HB3 H 2.506 0.015 . 73 95 13 TYR C C 177.817 0.150 . 74 95 13 TYR CA C 55.823 0.150 . 75 95 13 TYR CB C 42.299 0.150 . 76 95 13 TYR N N 123.004 0.150 . 77 96 14 VAL H H 7.923 0.015 . 78 96 14 VAL C C 176.656 0.150 . 79 96 14 VAL CA C 64.199 0.150 . 80 96 14 VAL CB C 31.982 0.150 . 81 96 14 VAL N N 112.423 0.150 . 82 97 15 ILE H H 8.385 0.015 . 83 97 15 ILE CA C 64.494 0.150 . 84 97 15 ILE N N 115.731 0.150 . 85 99 17 GLU H H 9.530 0.015 . 86 99 17 GLU HB2 H 1.988 0.015 . 87 99 17 GLU HB3 H 2.094 0.015 . 88 99 17 GLU HG2 H 2.317 0.015 . 89 99 17 GLU HG3 H 2.317 0.015 . 90 99 17 GLU C C 175.659 0.150 . 91 99 17 GLU CA C 56.536 0.150 . 92 99 17 GLU CB C 30.478 0.150 . 93 99 17 GLU N N 125.717 0.150 . 94 100 18 ALA HB H 1.350 0.015 . 95 100 18 ALA H H 8.488 0.015 . 96 100 18 ALA C C 177.622 0.150 . 97 100 18 ALA CA C 52.684 0.150 . 98 100 18 ALA CB C 19.392 0.150 . 99 100 18 ALA N N 124.325 0.150 . 100 101 19 SER H H 8.233 0.015 . 101 101 19 SER C C 174.488 0.150 . 102 101 19 SER CA C 58.462 0.150 . 103 101 19 SER CB C 64.131 0.150 . 104 101 19 SER N N 114.528 0.150 . 105 102 20 GLN H H 8.493 0.015 . 106 102 20 GLN HB2 H 1.967 0.015 . 107 102 20 GLN HB3 H 1.967 0.015 . 108 102 20 GLN C C 176.675 0.150 . 109 102 20 GLN CA C 56.227 0.150 . 110 102 20 GLN CB C 29.529 0.150 . 111 102 20 GLN N N 121.536 0.150 . 112 103 21 GLY H H 8.578 0.015 . 113 103 21 GLY CA C 45.921 0.150 . 114 103 21 GLY N N 109.898 0.150 . 115 107 25 VAL HB H 2.013 0.015 . 116 107 25 VAL C C 175.724 0.150 . 117 107 25 VAL CA C 64.257 0.150 . 118 108 26 ALA HB H 1.399 0.015 . 119 108 26 ALA H H 8.243 0.015 . 120 108 26 ALA C C 175.571 0.150 . 121 108 26 ALA CA C 51.604 0.150 . 122 108 26 ALA CB C 20.002 0.150 . 123 108 26 ALA N N 125.725 0.150 . 124 109 27 GLU H H 8.115 0.015 . 125 109 27 GLU C C 176.947 0.150 . 126 109 27 GLU CA C 54.178 0.150 . 127 109 27 GLU CB C 29.807 0.150 . 128 109 27 GLU N N 114.337 0.150 . 129 111 29 GLU C C 179.743 0.150 . 130 111 29 GLU CA C 59.210 0.150 . 131 112 30 ALA H H 8.606 0.015 . 132 112 30 ALA C C 179.167 0.150 . 133 112 30 ALA CA C 55.600 0.150 . 134 112 30 ALA CB C 16.871 0.150 . 135 112 30 ALA N N 123.370 0.150 . 136 113 31 LEU H H 7.582 0.015 . 137 113 31 LEU C C 178.158 0.150 . 138 113 31 LEU CA C 57.534 0.150 . 139 113 31 LEU CB C 39.565 0.150 . 140 113 31 LEU N N 119.117 0.150 . 141 114 32 GLN H H 8.122 0.015 . 142 114 32 GLN HB2 H 2.163 0.015 . 143 114 32 GLN HB3 H 2.427 0.015 . 144 114 32 GLN C C 179.048 0.150 . 145 114 32 GLN CA C 59.287 0.150 . 146 114 32 GLN CB C 27.400 0.150 . 147 114 32 GLN N N 119.159 0.150 . 148 115 33 SER H H 7.985 0.015 . 149 115 33 SER HB2 H 3.550 0.015 . 150 115 33 SER HB3 H 3.830 0.015 . 151 115 33 SER C C 175.328 0.150 . 152 115 33 SER CA C 63.014 0.150 . 153 115 33 SER N N 115.954 0.150 . 154 116 34 LEU H H 7.967 0.015 . 155 116 34 LEU HB2 H 1.675 0.015 . 156 116 34 LEU HB3 H 1.675 0.015 . 157 116 34 LEU C C 178.512 0.150 . 158 116 34 LEU CA C 57.305 0.150 . 159 116 34 LEU CB C 40.276 0.150 . 160 116 34 LEU N N 124.187 0.150 . 161 116 34 LEU HD1 H 0.659 0.015 . 162 116 34 LEU HD2 H 0.361 0.015 . 163 117 35 ARG H H 8.843 0.015 . 164 117 35 ARG HB2 H 1.737 0.015 . 165 117 35 ARG HB3 H 1.737 0.015 . 166 117 35 ARG HG2 H 1.605 0.015 . 167 117 35 ARG HG3 H 1.605 0.015 . 168 117 35 ARG C C 179.115 0.150 . 169 117 35 ARG CA C 60.700 0.150 . 170 117 35 ARG CB C 29.491 0.150 . 171 117 35 ARG N N 121.736 0.150 . 172 118 36 GLU H H 8.009 0.015 . 173 118 36 GLU HB2 H 2.059 0.015 . 174 118 36 GLU HB3 H 2.162 0.015 . 175 118 36 GLU C C 179.769 0.150 . 176 118 36 GLU CA C 59.362 0.150 . 177 118 36 GLU CB C 29.131 0.150 . 178 118 36 GLU N N 119.581 0.150 . 179 119 37 ALA HB H 1.626 0.015 . 180 119 37 ALA H H 8.309 0.015 . 181 119 37 ALA C C 179.221 0.150 . 182 119 37 ALA CA C 55.745 0.150 . 183 119 37 ALA CB C 20.966 0.150 . 184 119 37 ALA N N 123.385 0.150 . 185 120 38 CYS H H 8.609 0.015 . 186 120 38 CYS HB2 H 2.408 0.015 . 187 120 38 CYS HB3 H 3.054 0.015 . 188 120 38 CYS C C 177.114 0.150 . 189 120 38 CYS CA C 65.049 0.150 . 190 120 38 CYS CB C 25.893 0.150 . 191 120 38 CYS N N 114.930 0.150 . 192 121 39 GLU H H 8.140 0.015 . 193 121 39 GLU HB2 H 2.118 0.015 . 194 121 39 GLU HB3 H 2.118 0.015 . 195 121 39 GLU HG2 H 2.270 0.015 . 196 121 39 GLU HG3 H 2.270 0.015 . 197 121 39 GLU C C 179.249 0.150 . 198 121 39 GLU CA C 59.105 0.150 . 199 121 39 GLU CB C 29.310 0.150 . 200 121 39 GLU N N 119.821 0.150 . 201 122 40 THR H H 8.017 0.015 . 202 122 40 THR HB H 4.361 0.015 . 203 122 40 THR C C 175.981 0.150 . 204 122 40 THR CA C 67.048 0.150 . 205 122 40 THR CB C 69.017 0.150 . 206 122 40 THR N N 116.246 0.150 . 207 123 41 VAL H H 7.626 0.015 . 208 123 41 VAL HB H 2.439 0.015 . 209 123 41 VAL HG1 H 0.977 0.015 . 210 123 41 VAL HG2 H 1.245 0.015 . 211 123 41 VAL C C 176.163 0.150 . 212 123 41 VAL CA C 61.828 0.150 . 213 123 41 VAL CB C 32.105 0.150 . 214 123 41 VAL N N 111.903 0.150 . 215 124 42 GLY H H 7.825 0.015 . 216 124 42 GLY HA2 H 3.858 0.015 . 217 124 42 GLY HA3 H 4.115 0.015 . 218 124 42 GLY C C 174.604 0.150 . 219 124 42 GLY CA C 46.405 0.150 . 220 124 42 GLY N N 110.930 0.150 . 221 125 43 ALA HB H 1.177 0.015 . 222 125 43 ALA H H 8.296 0.015 . 223 125 43 ALA C C 176.324 0.150 . 224 125 43 ALA CA C 50.693 0.150 . 225 125 43 ALA CB C 21.379 0.150 . 226 125 43 ALA N N 123.662 0.150 . 227 126 44 THR H H 8.893 0.015 . 228 126 44 THR HB H 4.277 0.015 . 229 126 44 THR HG1 H 5.019 0.015 . 230 126 44 THR HG2 H 1.116 0.015 . 231 126 44 THR C C 172.062 0.150 . 232 126 44 THR CA C 62.091 0.150 . 233 126 44 THR CB C 70.348 0.150 . 234 126 44 THR N N 118.332 0.150 . 235 127 45 LEU H H 8.563 0.015 . 236 127 45 LEU HB2 H 1.545 0.015 . 237 127 45 LEU HB3 H 1.722 0.015 . 238 127 45 LEU HG H 1.152 0.015 . 239 127 45 LEU HD1 H 0.604 0.015 . 240 127 45 LEU C C 175.703 0.150 . 241 127 45 LEU CA C 53.743 0.150 . 242 127 45 LEU CB C 43.160 0.150 . 243 127 45 LEU N N 129.068 0.150 . 244 128 46 GLU H H 9.396 0.015 . 245 128 46 GLU C C 174.833 0.150 . 246 128 46 GLU CA C 54.764 0.150 . 247 128 46 GLU CB C 32.152 0.150 . 248 128 46 GLU N N 128.904 0.150 . 249 129 47 THR H H 8.534 0.015 . 250 129 47 THR HB H 4.146 0.015 . 251 129 47 THR HG1 H 5.306 0.015 . 252 129 47 THR HG2 H 1.115 0.015 . 253 129 47 THR C C 174.164 0.150 . 254 129 47 THR CA C 58.992 0.150 . 255 129 47 THR CB C 70.013 0.150 . 256 129 47 THR N N 113.475 0.150 . 257 130 48 LEU H H 8.984 0.015 . 258 130 48 LEU HB2 H 1.516 0.015 . 259 130 48 LEU HB3 H 1.516 0.015 . 260 130 48 LEU HD1 H 0.858 0.015 . 261 130 48 LEU C C 175.417 0.150 . 262 130 48 LEU CA C 52.745 0.150 . 263 130 48 LEU CB C 44.320 0.150 . 264 130 48 LEU N N 122.922 0.150 . 265 131 49 HIS H H 8.781 0.015 . 266 131 49 HIS HB2 H 2.890 0.015 . 267 131 49 HIS HB3 H 3.279 0.015 . 268 131 49 HIS C C 176.436 0.150 . 269 131 49 HIS CA C 57.483 0.150 . 270 131 49 HIS CB C 31.414 0.150 . 271 131 49 HIS N N 122.361 0.150 . 272 132 50 PHE H H 9.110 0.015 . 273 132 50 PHE HB2 H 3.297 0.015 . 274 132 50 PHE HB3 H 3.297 0.015 . 275 132 50 PHE C C 171.495 0.150 . 276 132 50 PHE CA C 61.630 0.150 . 277 132 50 PHE CB C 40.380 0.150 . 278 132 50 PHE N N 126.043 0.150 . 279 133 51 GLY C C 176.085 0.150 . 280 133 51 GLY CA C 46.818 0.150 . 281 134 52 LYS H H 7.284 0.015 . 282 134 52 LYS HB2 H 1.994 0.015 . 283 134 52 LYS HB3 H 1.994 0.015 . 284 134 52 LYS C C 177.772 0.150 . 285 134 52 LYS CA C 57.805 0.150 . 286 134 52 LYS CB C 33.119 0.150 . 287 134 52 LYS N N 118.758 0.150 . 288 135 53 LEU H H 7.440 0.015 . 289 135 53 LEU HB2 H 1.654 0.015 . 290 135 53 LEU HB3 H 1.654 0.015 . 291 135 53 LEU HD1 H 0.990 0.015 . 292 135 53 LEU HD2 H 1.224 0.015 . 293 135 53 LEU C C 177.889 0.150 . 294 135 53 LEU CA C 57.562 0.150 . 295 135 53 LEU CB C 41.480 0.150 . 296 135 53 LEU N N 121.764 0.150 . 297 136 54 ASP H H 8.253 0.015 . 298 136 54 ASP HB2 H 1.885 0.015 . 299 136 54 ASP HB3 H 2.280 0.015 . 300 136 54 ASP C C 177.275 0.150 . 301 136 54 ASP CA C 55.988 0.150 . 302 136 54 ASP CB C 41.825 0.150 . 303 136 54 ASP N N 117.759 0.150 . 304 137 55 PHE H H 7.667 0.015 . 305 137 55 PHE HB2 H 3.079 0.015 . 306 137 55 PHE HB3 H 3.259 0.015 . 307 137 55 PHE C C 176.327 0.150 . 308 137 55 PHE CA C 58.616 0.150 . 309 137 55 PHE CB C 39.395 0.150 . 310 137 55 PHE N N 116.479 0.150 . 311 138 56 GLY H H 7.750 0.015 . 312 138 56 GLY HA2 H 3.664 0.015 . 313 138 56 GLY HA3 H 4.023 0.015 . 314 138 56 GLY C C 174.455 0.150 . 315 138 56 GLY CA C 45.738 0.150 . 316 138 56 GLY N N 107.249 0.150 . 317 139 57 GLU H H 7.872 0.015 . 318 139 57 GLU HB2 H 1.989 0.015 . 319 139 57 GLU HB3 H 2.067 0.015 . 320 139 57 GLU HG2 H 2.398 0.015 . 321 139 57 GLU HG3 H 2.398 0.015 . 322 139 57 GLU C C 178.230 0.150 . 323 139 57 GLU CA C 57.536 0.150 . 324 139 57 GLU CB C 29.619 0.150 . 325 139 57 GLU N N 122.008 0.150 . 326 140 58 THR H H 8.468 0.015 . 327 140 58 THR HB H 4.364 0.015 . 328 140 58 THR C C 176.096 0.150 . 329 140 58 THR CA C 66.621 0.150 . 330 140 58 THR CB C 68.991 0.150 . 331 140 58 THR N N 121.473 0.150 . 332 141 59 THR H H 8.335 0.015 . 333 141 59 THR HB H 4.255 0.015 . 334 141 59 THR C C 176.723 0.150 . 335 141 59 THR CA C 65.050 0.150 . 336 141 59 THR CB C 68.629 0.150 . 337 141 59 THR N N 113.859 0.150 . 338 142 60 VAL H H 7.334 0.015 . 339 142 60 VAL HB H 2.001 0.015 . 340 142 60 VAL HG1 H 0.825 0.015 . 341 142 60 VAL HG2 H 1.005 0.015 . 342 142 60 VAL C C 177.073 0.150 . 343 142 60 VAL CA C 65.938 0.150 . 344 142 60 VAL CB C 31.791 0.150 . 345 142 60 VAL N N 122.567 0.150 . 346 143 61 LEU H H 7.761 0.015 . 347 143 61 LEU HB2 H 1.377 0.015 . 348 143 61 LEU HB3 H 1.377 0.015 . 349 143 61 LEU HG H 1.613 0.015 . 350 143 61 LEU HD1 H 0.849 0.015 . 351 143 61 LEU HD2 H 0.603 0.015 . 352 143 61 LEU C C 177.521 0.150 . 353 143 61 LEU CA C 58.124 0.150 . 354 143 61 LEU CB C 40.662 0.150 . 355 143 61 LEU N N 119.808 0.150 . 356 144 62 ASP H H 7.952 0.015 . 357 144 62 ASP HB2 H 2.598 0.015 . 358 144 62 ASP HB3 H 2.708 0.015 . 359 144 62 ASP C C 179.067 0.150 . 360 144 62 ASP CA C 57.769 0.150 . 361 144 62 ASP CB C 41.141 0.150 . 362 144 62 ASP N N 116.067 0.150 . 363 145 63 ARG H H 7.370 0.015 . 364 145 63 ARG HB2 H 1.860 0.015 . 365 145 63 ARG HB3 H 1.860 0.015 . 366 145 63 ARG C C 178.493 0.150 . 367 145 63 ARG CA C 57.984 0.150 . 368 145 63 ARG CB C 29.831 0.150 . 369 145 63 ARG N N 116.005 0.150 . 370 146 64 PHE H H 7.974 0.015 . 371 146 64 PHE C C 176.803 0.150 . 372 146 64 PHE CA C 61.921 0.150 . 373 146 64 PHE CB C 39.355 0.150 . 374 146 64 PHE N N 119.627 0.150 . 375 147 65 TYR H H 8.762 0.015 . 376 147 65 TYR HB2 H 2.857 0.015 . 377 147 65 TYR HB3 H 2.968 0.015 . 378 147 65 TYR C C 175.983 0.150 . 379 147 65 TYR CA C 57.242 0.150 . 380 147 65 TYR CB C 36.511 0.150 . 381 147 65 TYR N N 115.569 0.150 . 382 148 66 ASN H H 7.396 0.015 . 383 148 66 ASN HB2 H 2.871 0.015 . 384 148 66 ASN HB3 H 2.871 0.015 . 385 148 66 ASN C C 175.558 0.150 . 386 148 66 ASN CA C 53.408 0.150 . 387 148 66 ASN CB C 40.227 0.150 . 388 148 66 ASN N N 110.255 0.150 . 389 149 67 ALA HB H 1.212 0.015 . 390 149 67 ALA H H 6.927 0.015 . 391 149 67 ALA C C 177.841 0.150 . 392 149 67 ALA CA C 52.673 0.150 . 393 149 67 ALA CB C 18.842 0.150 . 394 149 67 ALA N N 123.272 0.150 . 395 150 68 ASP H H 8.581 0.015 . 396 150 68 ASP HB2 H 2.659 0.015 . 397 150 68 ASP HB3 H 2.659 0.015 . 398 150 68 ASP C C 177.008 0.150 . 399 150 68 ASP CA C 58.832 0.150 . 400 150 68 ASP CB C 41.380 0.150 . 401 150 68 ASP N N 123.072 0.150 . 402 151 69 ILE H H 8.048 0.015 . 403 151 69 ILE HB H 1.605 0.015 . 404 151 69 ILE HG2 H 0.694 0.015 . 405 151 69 ILE C C 172.968 0.150 . 406 151 69 ILE CA C 59.882 0.150 . 407 151 69 ILE CB C 41.861 0.150 . 408 151 69 ILE N N 116.640 0.150 . 409 152 70 ALA HB H 0.903 0.015 . 410 152 70 ALA H H 8.065 0.015 . 411 152 70 ALA C C 174.828 0.150 . 412 152 70 ALA CA C 50.013 0.150 . 413 152 70 ALA CB C 21.331 0.150 . 414 152 70 ALA N N 128.958 0.150 . 415 153 71 VAL H H 9.093 0.015 . 416 153 71 VAL HB H 2.039 0.015 . 417 153 71 VAL HG1 H 0.715 0.015 . 418 153 71 VAL HG2 H 0.908 0.015 . 419 153 71 VAL C C 174.364 0.150 . 420 153 71 VAL CA C 60.997 0.150 . 421 153 71 VAL CB C 33.514 0.150 . 422 153 71 VAL N N 122.017 0.150 . 423 163 81 PRO CA C 63.754 0.150 . 424 163 81 PRO CB C 32.541 0.150 . 425 164 82 SER H H 8.225 0.015 . 426 164 82 SER CA C 61.462 0.150 . 427 164 82 SER N N 125.073 0.150 . 428 167 85 TYR C C 178.166 0.150 . 429 167 85 TYR CA C 61.856 0.150 . 430 167 85 TYR CB C 37.150 0.150 . 431 168 86 HIS H H 8.072 0.015 . 432 168 86 HIS HB2 H 3.198 0.015 . 433 168 86 HIS HB3 H 3.198 0.015 . 434 168 86 HIS C C 179.390 0.150 . 435 168 86 HIS CA C 61.185 0.150 . 436 168 86 HIS CB C 31.045 0.150 . 437 168 86 HIS N N 118.915 0.150 . 438 169 87 LEU H H 8.734 0.015 . 439 169 87 LEU C C 178.710 0.150 . 440 169 87 LEU CA C 58.579 0.150 . 441 169 87 LEU CB C 41.996 0.150 . 442 169 87 LEU N N 120.857 0.150 . 443 170 88 GLY H H 8.164 0.015 . 444 170 88 GLY HA2 H 3.945 0.015 . 445 170 88 GLY HA3 H 3.945 0.015 . 446 170 88 GLY C C 177.407 0.150 . 447 170 88 GLY CA C 46.981 0.150 . 448 170 88 GLY N N 107.609 0.150 . 449 171 89 VAL H H 7.679 0.015 . 450 171 89 VAL HB H 1.965 0.015 . 451 171 89 VAL HG1 H 0.502 0.015 . 452 171 89 VAL C C 179.585 0.150 . 453 171 89 VAL CA C 66.332 0.150 . 454 171 89 VAL CB C 30.778 0.150 . 455 171 89 VAL N N 124.616 0.150 . 456 172 90 ARG H H 7.732 0.015 . 457 172 90 ARG HD2 H 3.324 0.015 . 458 172 90 ARG HD3 H 3.324 0.015 . 459 172 90 ARG C C 178.712 0.150 . 460 172 90 ARG CA C 60.835 0.150 . 461 172 90 ARG N N 120.379 0.150 . 462 173 91 GLU H H 8.214 0.015 . 463 173 91 GLU HB2 H 2.226 0.015 . 464 173 91 GLU HB3 H 2.226 0.015 . 465 173 91 GLU HG2 H 2.520 0.015 . 466 173 91 GLU HG3 H 2.520 0.015 . 467 173 91 GLU C C 179.948 0.150 . 468 173 91 GLU CA C 59.927 0.150 . 469 173 91 GLU N N 118.926 0.150 . 470 174 92 SER H H 8.072 0.015 . 471 174 92 SER HB2 H 3.819 0.015 . 472 174 92 SER HB3 H 3.819 0.015 . 473 174 92 SER C C 175.027 0.150 . 474 174 92 SER CA C 61.157 0.150 . 475 174 92 SER CB C 62.734 0.150 . 476 174 92 SER N N 118.087 0.150 . 477 175 93 PHE H H 7.619 0.015 . 478 175 93 PHE HB2 H 2.976 0.015 . 479 175 93 PHE HB3 H 2.976 0.015 . 480 175 93 PHE HD1 H 7.105 0.015 . 481 175 93 PHE HD2 H 7.105 0.015 . 482 175 93 PHE C C 174.947 0.150 . 483 175 93 PHE CA C 57.328 0.150 . 484 175 93 PHE CB C 38.665 0.150 . 485 175 93 PHE N N 122.481 0.150 . 486 176 94 SER H H 8.200 0.015 . 487 176 94 SER HB2 H 4.136 0.015 . 488 176 94 SER HB3 H 4.136 0.015 . 489 176 94 SER C C 173.887 0.150 . 490 176 94 SER CA C 59.372 0.150 . 491 176 94 SER CB C 61.885 0.150 . 492 176 94 SER N N 112.014 0.150 . 493 177 95 MET HE H 1.941 0.015 . 494 177 95 MET H H 7.835 0.015 . 495 177 95 MET C C 173.441 0.150 . 496 177 95 MET CA C 53.833 0.150 . 497 177 95 MET CB C 35.513 0.150 . 498 177 95 MET N N 118.420 0.150 . 499 178 96 ALA H H 8.419 0.015 . 500 178 96 ALA CA C 58.110 0.150 . 501 178 96 ALA N N 120.745 0.150 . 502 180 98 ASN C C 173.189 0.150 . 503 180 98 ASN CA C 53.031 0.150 . 504 180 98 ASN CB C 41.127 0.150 . 505 181 99 ILE H H 9.533 0.015 . 506 181 99 ILE HB H 2.168 0.015 . 507 181 99 ILE HG2 H 0.738 0.015 . 508 181 99 ILE C C 173.906 0.150 . 509 181 99 ILE CA C 60.626 0.150 . 510 181 99 ILE CB C 38.248 0.150 . 511 181 99 ILE N N 125.711 0.150 . 512 182 100 ILE H H 8.981 0.015 . 513 182 100 ILE HB H 1.785 0.015 . 514 182 100 ILE HG2 H 0.901 0.015 . 515 182 100 ILE CA C 59.921 0.150 . 516 182 100 ILE N N 126.506 0.150 . 517 186 104 ASP C C 176.197 0.150 . 518 186 104 ASP CA C 55.054 0.150 . 519 186 104 ASP CB C 42.251 0.150 . 520 187 105 THR H H 7.971 0.015 . 521 187 105 THR HB H 4.287 0.015 . 522 187 105 THR C C 174.818 0.150 . 523 187 105 THR CA C 62.524 0.150 . 524 187 105 THR CB C 69.688 0.150 . 525 187 105 THR N N 114.835 0.150 . 526 188 106 ASN H H 8.365 0.015 . 527 188 106 ASN C C 175.287 0.150 . 528 188 106 ASN CA C 53.512 0.150 . 529 188 106 ASN CB C 39.100 0.150 . 530 188 106 ASN N N 119.650 0.150 . 531 189 107 SER HB2 H 3.991 0.015 . 532 189 107 SER HB3 H 3.991 0.015 . 533 189 107 SER C C 175.572 0.150 . 534 189 107 SER CA C 59.863 0.150 . 535 189 107 SER CB C 63.757 0.150 . 536 190 108 ASP H H 8.594 0.015 . 537 190 108 ASP HB2 H 2.794 0.015 . 538 190 108 ASP HB3 H 2.794 0.015 . 539 190 108 ASP C C 177.992 0.150 . 540 190 108 ASP CA C 55.963 0.150 . 541 190 108 ASP CB C 40.614 0.150 . 542 190 108 ASP N N 122.420 0.150 . 543 191 109 SER H H 8.289 0.015 . 544 191 109 SER HB2 H 4.112 0.015 . 545 191 109 SER HB3 H 4.480 0.015 . 546 191 109 SER C C 175.832 0.150 . 547 191 109 SER CA C 60.238 0.150 . 548 191 109 SER CB C 63.632 0.150 . 549 191 109 SER N N 116.159 0.150 . 550 192 110 LEU H H 7.962 0.015 . 551 192 110 LEU HB2 H 1.743 0.015 . 552 192 110 LEU HB3 H 1.743 0.015 . 553 192 110 LEU HD1 H 0.779 0.015 . 554 192 110 LEU HD2 H 0.779 0.015 . 555 192 110 LEU C C 178.046 0.150 . 556 192 110 LEU CA C 57.649 0.150 . 557 192 110 LEU CB C 41.467 0.150 . 558 192 110 LEU N N 123.634 0.150 . 559 193 111 GLN H H 8.059 0.015 . 560 193 111 GLN HB2 H 1.574 0.015 . 561 193 111 GLN HB3 H 1.764 0.015 . 562 193 111 GLN HG2 H 2.172 0.015 . 563 193 111 GLN HG3 H 2.437 0.015 . 564 193 111 GLN C C 178.314 0.150 . 565 193 111 GLN CA C 58.886 0.150 . 566 193 111 GLN CB C 27.738 0.150 . 567 193 111 GLN N N 118.268 0.150 . 568 194 112 SER H H 7.955 0.015 . 569 194 112 SER HB2 H 3.966 0.015 . 570 194 112 SER HB3 H 3.966 0.015 . 571 194 112 SER C C 176.447 0.150 . 572 194 112 SER CA C 61.451 0.150 . 573 194 112 SER CB C 62.668 0.150 . 574 194 112 SER N N 114.115 0.150 . 575 195 113 LEU H H 7.692 0.015 . 576 195 113 LEU HB2 H 1.585 0.015 . 577 195 113 LEU HB3 H 1.585 0.015 . 578 195 113 LEU HD1 H 0.790 0.015 . 579 195 113 LEU C C 178.276 0.150 . 580 195 113 LEU CA C 57.929 0.150 . 581 195 113 LEU CB C 41.580 0.150 . 582 195 113 LEU N N 123.299 0.150 . 583 196 114 LYS H H 8.152 0.015 . 584 196 114 LYS HB2 H 1.763 0.015 . 585 196 114 LYS HB3 H 1.763 0.015 . 586 196 114 LYS HD2 H 1.619 0.015 . 587 196 114 LYS HD3 H 1.619 0.015 . 588 196 114 LYS C C 178.382 0.150 . 589 196 114 LYS CA C 60.254 0.150 . 590 196 114 LYS CB C 32.295 0.150 . 591 196 114 LYS N N 118.263 0.150 . 592 197 115 GLU H H 7.765 0.015 . 593 197 115 GLU HB2 H 2.102 0.015 . 594 197 115 GLU HB3 H 2.102 0.015 . 595 197 115 GLU HG2 H 2.234 0.015 . 596 197 115 GLU HG3 H 2.413 0.015 . 597 197 115 GLU C C 178.704 0.150 . 598 197 115 GLU CA C 59.291 0.150 . 599 197 115 GLU CB C 29.205 0.150 . 600 197 115 GLU N N 117.550 0.150 . 601 198 116 ILE H H 7.615 0.015 . 602 198 116 ILE HB H 1.784 0.015 . 603 198 116 ILE HG2 H 0.747 0.015 . 604 198 116 ILE C C 178.177 0.150 . 605 198 116 ILE CA C 64.582 0.150 . 606 198 116 ILE N N 119.241 0.150 . 607 204 122 THR C C 172.469 0.150 . 608 204 122 THR CA C 62.396 0.150 . 609 204 122 THR CB C 70.497 0.150 . 610 205 123 MET HE H 1.936 0.015 . 611 205 123 MET H H 9.321 0.015 . 612 205 123 MET C C 174.701 0.150 . 613 205 123 MET CA C 56.969 0.150 . 614 205 123 MET N N 129.251 0.150 . 615 207 125 THR HB H 4.304 0.015 . 616 207 125 THR C C 175.353 0.150 . 617 207 125 THR CA C 62.668 0.150 . 618 207 125 THR CB C 69.600 0.150 . 619 208 126 GLY H H 8.321 0.015 . 620 208 126 GLY HA2 H 3.848 0.015 . 621 208 126 GLY HA3 H 3.976 0.015 . 622 208 126 GLY C C 173.560 0.150 . 623 208 126 GLY CA C 45.428 0.150 . 624 208 126 GLY N N 110.244 0.150 . 625 209 127 ASN H H 8.295 0.015 . 626 209 127 ASN HB2 H 2.727 0.015 . 627 209 127 ASN HB3 H 2.727 0.015 . 628 209 127 ASN CA C 53.470 0.150 . 629 209 127 ASN CB C 38.948 0.150 . 630 209 127 ASN N N 119.021 0.150 . 631 217 135 ILE C C 179.427 0.150 . 632 217 135 ILE CA C 63.765 0.150 . 633 217 135 ILE CB C 38.417 0.150 . 634 218 136 THR H H 8.165 0.015 . 635 218 136 THR CA C 62.020 0.150 . 636 218 136 THR N N 122.359 0.150 . 637 220 138 HIS C C 174.143 0.150 . 638 220 138 HIS CA C 55.186 0.150 . 639 220 138 HIS CB C 29.379 0.150 . 640 221 139 ASN H H 8.405 0.015 . 641 221 139 ASN HB2 H 2.912 0.015 . 642 221 139 ASN HB3 H 3.035 0.015 . 643 221 139 ASN C C 173.692 0.150 . 644 221 139 ASN CA C 54.614 0.150 . 645 221 139 ASN CB C 36.509 0.150 . 646 221 139 ASN N N 114.913 0.150 . 647 222 140 LYS H H 7.237 0.015 . 648 222 140 LYS HB2 H 1.656 0.015 . 649 222 140 LYS HB3 H 1.656 0.015 . 650 222 140 LYS HG2 H 1.262 0.015 . 651 222 140 LYS HG3 H 1.262 0.015 . 652 222 140 LYS C C 176.308 0.150 . 653 222 140 LYS CA C 54.487 0.150 . 654 222 140 LYS CB C 33.472 0.150 . 655 222 140 LYS N N 115.758 0.150 . 656 223 141 VAL H H 8.941 0.015 . 657 223 141 VAL HG1 H 0.959 0.015 . 658 223 141 VAL HG2 H 1.294 0.015 . 659 223 141 VAL CA C 60.555 0.150 . 660 223 141 VAL N N 118.778 0.150 . 661 228 146 SER C C 174.732 0.150 . 662 228 146 SER CA C 58.313 0.150 . 663 228 146 SER CB C 64.055 0.150 . 664 229 147 SER H H 8.382 0.015 . 665 229 147 SER CA C 58.484 0.150 . 666 229 147 SER CB C 64.004 0.150 . 667 229 147 SER N N 117.907 0.150 . 668 232 150 LYS C C 177.460 0.150 . 669 232 150 LYS CA C 57.838 0.150 . 670 232 150 LYS CB C 32.165 0.150 . 671 233 151 GLY H H 8.316 0.015 . 672 233 151 GLY C C 174.680 0.150 . 673 233 151 GLY CA C 45.688 0.150 . 674 233 151 GLY N N 109.315 0.150 . 675 234 152 LEU H H 7.947 0.015 . 676 234 152 LEU C C 176.049 0.150 . 677 234 152 LEU CA C 55.819 0.150 . 678 234 152 LEU CB C 42.231 0.150 . 679 234 152 LEU N N 120.590 0.150 . 680 235 153 THR H H 8.030 0.015 . 681 235 153 THR C C 175.127 0.150 . 682 235 153 THR CA C 63.301 0.150 . 683 235 153 THR CB C 69.394 0.150 . 684 235 153 THR N N 120.700 0.150 . 685 236 154 GLU H H 8.111 0.015 . 686 236 154 GLU C C 176.390 0.150 . 687 236 154 GLU CA C 57.536 0.150 . 688 236 154 GLU N N 120.096 0.150 . 689 243 161 GLU HB2 H 2.014 0.015 . 690 243 161 GLU HB3 H 2.014 0.015 . 691 243 161 GLU HG2 H 2.354 0.015 . 692 243 161 GLU HG3 H 2.354 0.015 . 693 243 161 GLU C C 176.217 0.150 . 694 243 161 GLU CA C 56.361 0.150 . 695 243 161 GLU CB C 29.593 0.150 . 696 244 162 LEU H H 8.081 0.015 . 697 244 162 LEU HD1 H 0.908 0.015 . 698 244 162 LEU C C 176.225 0.150 . 699 244 162 LEU CA C 55.768 0.150 . 700 244 162 LEU CB C 42.189 0.150 . 701 244 162 LEU N N 121.589 0.150 . 702 245 163 LEU H H 8.071 0.015 . 703 245 163 LEU HB2 H 1.649 0.015 . 704 245 163 LEU HB3 H 1.649 0.015 . 705 245 163 LEU C C 176.242 0.150 . 706 245 163 LEU CA C 55.644 0.150 . 707 245 163 LEU CB C 42.074 0.150 . 708 245 163 LEU N N 121.246 0.150 . 709 246 164 LEU H H 8.223 0.015 . 710 246 164 LEU C C 177.150 0.150 . 711 246 164 LEU CA C 54.868 0.150 . 712 246 164 LEU CB C 42.845 0.150 . 713 246 164 LEU N N 114.823 0.150 . 714 247 165 GLY H H 8.041 0.015 . 715 247 165 GLY HA2 H 4.016 0.015 . 716 247 165 GLY HA3 H 4.097 0.015 . 717 247 165 GLY CA C 44.853 0.150 . 718 247 165 GLY N N 109.377 0.150 . 719 248 166 PRO HA H 4.427 0.015 . 720 249 167 ILE H H 7.982 0.015 . 721 249 167 ILE HB H 1.708 0.015 . 722 249 167 ILE C C 174.299 0.150 . 723 249 167 ILE CA C 64.371 0.150 . 724 249 167 ILE CB C 37.919 0.150 . 725 249 167 ILE N N 116.638 0.150 . 726 250 168 CYS H H 8.641 0.015 . 727 250 168 CYS HB2 H 2.954 0.015 . 728 250 168 CYS HB3 H 2.954 0.015 . 729 250 168 CYS C C 174.475 0.150 . 730 250 168 CYS CA C 59.965 0.150 . 731 250 168 CYS N N 117.099 0.150 . 732 251 169 LEU H H 9.245 0.015 . 733 251 169 LEU HB2 H 1.793 0.015 . 734 251 169 LEU HB3 H 1.793 0.015 . 735 251 169 LEU C C 176.795 0.150 . 736 251 169 LEU CA C 53.576 0.150 . 737 251 169 LEU N N 126.947 0.150 . 738 251 169 LEU HG H 2.205 0.015 . 739 252 170 PRO C C 177.145 0.150 . 740 252 170 PRO CA C 63.332 0.150 . 741 252 170 PRO CB C 32.160 0.150 . 742 253 171 LEU H H 8.149 0.015 . 743 253 171 LEU HB2 H 1.605 0.015 . 744 253 171 LEU HB3 H 1.605 0.015 . 745 253 171 LEU HD1 H 0.870 0.015 . 746 253 171 LEU C C 177.977 0.150 . 747 253 171 LEU CA C 58.088 0.150 . 748 253 171 LEU CB C 41.725 0.150 . 749 253 171 LEU N N 126.499 0.150 . 750 254 172 VAL H H 8.766 0.015 . 751 254 172 VAL HB H 2.092 0.015 . 752 254 172 VAL HG1 H 0.962 0.015 . 753 254 172 VAL HG2 H 1.168 0.015 . 754 254 172 VAL C C 175.465 0.150 . 755 254 172 VAL CA C 66.029 0.150 . 756 254 172 VAL CB C 31.646 0.150 . 757 254 172 VAL N N 116.470 0.150 . 758 255 173 ASP H H 6.730 0.015 . 759 255 173 ASP HB2 H 2.568 0.015 . 760 255 173 ASP HB3 H 2.688 0.015 . 761 255 173 ASP C C 179.277 0.150 . 762 255 173 ASP CA C 57.702 0.150 . 763 255 173 ASP CB C 40.773 0.150 . 764 255 173 ASP N N 120.439 0.150 . 765 256 174 ARG H H 7.523 0.015 . 766 256 174 ARG HB2 H 1.873 0.015 . 767 256 174 ARG HB3 H 1.873 0.015 . 768 256 174 ARG HG2 H 1.563 0.015 . 769 256 174 ARG HG3 H 1.563 0.015 . 770 256 174 ARG C C 178.365 0.150 . 771 256 174 ARG CA C 57.407 0.150 . 772 256 174 ARG CB C 29.721 0.150 . 773 256 174 ARG N N 121.600 0.150 . 774 257 175 PHE H H 8.552 0.015 . 775 257 175 PHE HB2 H 2.724 0.015 . 776 257 175 PHE HB3 H 3.132 0.015 . 777 257 175 PHE C C 178.017 0.150 . 778 257 175 PHE CA C 59.861 0.150 . 779 257 175 PHE CB C 38.370 0.150 . 780 257 175 PHE N N 116.923 0.150 . 781 258 176 ILE H H 8.639 0.015 . 782 258 176 ILE HB H 1.619 0.015 . 783 258 176 ILE HG2 H 0.988 0.015 . 784 258 176 ILE HD1 H 0.908 0.015 . 785 258 176 ILE C C 176.971 0.150 . 786 258 176 ILE CA C 67.438 0.150 . 787 258 176 ILE CB C 38.145 0.150 . 788 258 176 ILE N N 120.518 0.150 . 789 259 177 GLN H H 7.554 0.015 . 790 259 177 GLN HB2 H 1.959 0.015 . 791 259 177 GLN HB3 H 2.163 0.015 . 792 259 177 GLN HG2 H 2.380 0.015 . 793 259 177 GLN HG3 H 2.636 0.015 . 794 259 177 GLN C C 179.103 0.150 . 795 259 177 GLN CA C 59.358 0.150 . 796 259 177 GLN CB C 28.305 0.150 . 797 259 177 GLN N N 116.911 0.150 . 798 260 178 LEU H H 7.987 0.015 . 799 260 178 LEU HD1 H 0.797 0.015 . 800 260 178 LEU HD2 H 0.932 0.015 . 801 260 178 LEU C C 179.717 0.150 . 802 260 178 LEU CA C 57.684 0.150 . 803 260 178 LEU CB C 42.427 0.150 . 804 260 178 LEU N N 118.337 0.150 . 805 261 179 LEU H H 8.785 0.015 . 806 261 179 LEU HD1 H 0.636 0.015 . 807 261 179 LEU HD2 H 0.942 0.015 . 808 261 179 LEU C C 178.901 0.150 . 809 261 179 LEU CA C 58.004 0.150 . 810 261 179 LEU CB C 41.886 0.150 . 811 261 179 LEU N N 120.627 0.150 . 812 262 180 LYS H H 8.186 0.015 . 813 262 180 LYS HB2 H 1.751 0.015 . 814 262 180 LYS HB3 H 1.924 0.015 . 815 262 180 LYS HG2 H 1.434 0.015 . 816 262 180 LYS HG3 H 1.434 0.015 . 817 262 180 LYS C C 179.899 0.150 . 818 262 180 LYS CA C 59.659 0.150 . 819 262 180 LYS CB C 32.096 0.150 . 820 262 180 LYS N N 118.396 0.150 . 821 263 181 VAL H H 7.621 0.015 . 822 263 181 VAL HB H 2.189 0.015 . 823 263 181 VAL HG1 H 0.967 0.015 . 824 263 181 VAL HG2 H 1.093 0.015 . 825 263 181 VAL C C 178.176 0.150 . 826 263 181 VAL CA C 65.357 0.150 . 827 263 181 VAL CB C 31.881 0.150 . 828 263 181 VAL N N 118.676 0.150 . 829 264 182 ALA HB H 1.389 0.015 . 830 264 182 ALA H H 7.542 0.015 . 831 264 182 ALA C C 178.946 0.150 . 832 264 182 ALA CA C 53.958 0.150 . 833 264 182 ALA CB C 18.619 0.150 . 834 264 182 ALA N N 122.555 0.150 . 835 265 183 GLN H H 7.896 0.015 . 836 265 183 GLN HB2 H 2.113 0.015 . 837 265 183 GLN HB3 H 2.113 0.015 . 838 265 183 GLN HG2 H 2.363 0.015 . 839 265 183 GLN HG3 H 2.538 0.015 . 840 265 183 GLN C C 175.954 0.150 . 841 265 183 GLN CA C 56.829 0.150 . 842 265 183 GLN CB C 29.645 0.150 . 843 265 183 GLN N N 116.535 0.150 . 844 266 184 ALA HB H 1.469 0.015 . 845 266 184 ALA H H 7.752 0.015 . 846 266 184 ALA C C 176.863 0.150 . 847 266 184 ALA CA C 52.667 0.150 . 848 266 184 ALA CB C 19.162 0.150 . 849 266 184 ALA N N 123.616 0.150 . 850 267 185 SER H H 7.750 0.015 . 851 267 185 SER HB2 H 3.890 0.015 . 852 267 185 SER HB3 H 3.890 0.015 . 853 267 185 SER C C 178.699 0.150 . 854 267 185 SER CA C 60.338 0.150 . 855 267 185 SER CB C 65.074 0.150 . 856 267 185 SER N N 120.604 0.150 . stop_ save_