data_53294 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53294 _Entry.Title ; Streptococcus pneumoniae HtrA PD domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-07-30 _Entry.Accession_date 2025-07-30 _Entry.Last_release_date 2025-07-30 _Entry.Original_release_date 2025-07-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Eunjeong Lee . . . . 53294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 53294 '15N chemical shifts' 219 53294 '1H chemical shifts' 219 53294 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-01-23 . original BMRB . 53294 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53293 'Streptococcus pneumoniae HtrA FL domain' 53294 BMRB 53295 'Streptococcus pneumoniae HtrA PDZ domain' 53294 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53294 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41457497 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Streptococcus pneumoniae HtrA is a dynamic and monomeric virulence factor capable of forming larger oligomeric complexes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 35 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e70411 _Citation.Page_last e70411 _Citation.Year 2026 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eunjeong Lee E. . . . 53294 1 2 Jasmina Redzic J. S. . . 53294 1 3 Blaine Gordon B. . . . 53294 1 4 Anthony Saviola A. J. . . 53294 1 5 Norman Tran N. . . . 53294 1 6 Sean Maroney S. P. . . 53294 1 7 Nathanael Ashby N. L. . . 53294 1 8 Steven Shaw S. . . . 53294 1 9 Sam Fulte S. . . . 53294 1 10 Arianna McCarty A. . . . 53294 1 11 Todd Holyoak T. . . . 53294 1 12 Nancy Meyer N. . . . 53294 1 13 Kirk Hansen K. C. . . 53294 1 14 Sarah Clark S. E. . . 53294 1 15 Elan Eisenmesser E. . . . 53294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53294 _Assembly.ID 1 _Assembly.Name 'HtrA PD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HtrA PD' 1 $entity_1 . . yes native no no . . . 53294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STTQAVNKVKDAVVSVITYS ANRQNSVFGNDDTDTDSQRI SSEGSGVIYKKNDKEAYIVT NNHVINGASKVDIRLSDGTK VPGEIVGADTFSDIAVVKIS SEKVTTVAEFGDSSKLTVGE TAIAIGSPLGSEYANTVTQG IVSSLNRNVSLKSEDGQAIS TKAIQTDTAINPGNSGGPLI NIQGQVIGITSSKIATNGGT SVEGLGFAIPANDAINIIEQ LEKNGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 226 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 60 SER . 53294 1 2 61 THR . 53294 1 3 62 THR . 53294 1 4 63 GLN . 53294 1 5 64 ALA . 53294 1 6 65 VAL . 53294 1 7 66 ASN . 53294 1 8 67 LYS . 53294 1 9 68 VAL . 53294 1 10 69 LYS . 53294 1 11 70 ASP . 53294 1 12 71 ALA . 53294 1 13 72 VAL . 53294 1 14 73 VAL . 53294 1 15 74 SER . 53294 1 16 75 VAL . 53294 1 17 76 ILE . 53294 1 18 77 THR . 53294 1 19 78 TYR . 53294 1 20 79 SER . 53294 1 21 80 ALA . 53294 1 22 81 ASN . 53294 1 23 82 ARG . 53294 1 24 83 GLN . 53294 1 25 84 ASN . 53294 1 26 85 SER . 53294 1 27 86 VAL . 53294 1 28 87 PHE . 53294 1 29 88 GLY . 53294 1 30 89 ASN . 53294 1 31 90 ASP . 53294 1 32 91 ASP . 53294 1 33 92 THR . 53294 1 34 93 ASP . 53294 1 35 94 THR . 53294 1 36 95 ASP . 53294 1 37 96 SER . 53294 1 38 97 GLN . 53294 1 39 98 ARG . 53294 1 40 99 ILE . 53294 1 41 100 SER . 53294 1 42 101 SER . 53294 1 43 102 GLU . 53294 1 44 103 GLY . 53294 1 45 104 SER . 53294 1 46 105 GLY . 53294 1 47 106 VAL . 53294 1 48 107 ILE . 53294 1 49 108 TYR . 53294 1 50 109 LYS . 53294 1 51 110 LYS . 53294 1 52 111 ASN . 53294 1 53 112 ASP . 53294 1 54 113 LYS . 53294 1 55 114 GLU . 53294 1 56 115 ALA . 53294 1 57 116 TYR . 53294 1 58 117 ILE . 53294 1 59 118 VAL . 53294 1 60 119 THR . 53294 1 61 120 ASN . 53294 1 62 121 ASN . 53294 1 63 122 HIS . 53294 1 64 123 VAL . 53294 1 65 124 ILE . 53294 1 66 125 ASN . 53294 1 67 126 GLY . 53294 1 68 127 ALA . 53294 1 69 128 SER . 53294 1 70 129 LYS . 53294 1 71 130 VAL . 53294 1 72 131 ASP . 53294 1 73 132 ILE . 53294 1 74 133 ARG . 53294 1 75 134 LEU . 53294 1 76 135 SER . 53294 1 77 136 ASP . 53294 1 78 137 GLY . 53294 1 79 138 THR . 53294 1 80 139 LYS . 53294 1 81 140 VAL . 53294 1 82 141 PRO . 53294 1 83 142 GLY . 53294 1 84 143 GLU . 53294 1 85 144 ILE . 53294 1 86 145 VAL . 53294 1 87 146 GLY . 53294 1 88 147 ALA . 53294 1 89 148 ASP . 53294 1 90 149 THR . 53294 1 91 150 PHE . 53294 1 92 151 SER . 53294 1 93 152 ASP . 53294 1 94 153 ILE . 53294 1 95 154 ALA . 53294 1 96 155 VAL . 53294 1 97 156 VAL . 53294 1 98 157 LYS . 53294 1 99 158 ILE . 53294 1 100 159 SER . 53294 1 101 160 SER . 53294 1 102 161 GLU . 53294 1 103 162 LYS . 53294 1 104 163 VAL . 53294 1 105 164 THR . 53294 1 106 165 THR . 53294 1 107 166 VAL . 53294 1 108 167 ALA . 53294 1 109 168 GLU . 53294 1 110 169 PHE . 53294 1 111 170 GLY . 53294 1 112 171 ASP . 53294 1 113 172 SER . 53294 1 114 173 SER . 53294 1 115 174 LYS . 53294 1 116 175 LEU . 53294 1 117 176 THR . 53294 1 118 177 VAL . 53294 1 119 178 GLY . 53294 1 120 179 GLU . 53294 1 121 180 THR . 53294 1 122 181 ALA . 53294 1 123 182 ILE . 53294 1 124 183 ALA . 53294 1 125 184 ILE . 53294 1 126 185 GLY . 53294 1 127 186 SER . 53294 1 128 187 PRO . 53294 1 129 188 LEU . 53294 1 130 189 GLY . 53294 1 131 190 SER . 53294 1 132 191 GLU . 53294 1 133 192 TYR . 53294 1 134 193 ALA . 53294 1 135 194 ASN . 53294 1 136 195 THR . 53294 1 137 196 VAL . 53294 1 138 197 THR . 53294 1 139 198 GLN . 53294 1 140 199 GLY . 53294 1 141 200 ILE . 53294 1 142 201 VAL . 53294 1 143 202 SER . 53294 1 144 203 SER . 53294 1 145 204 LEU . 53294 1 146 205 ASN . 53294 1 147 206 ARG . 53294 1 148 207 ASN . 53294 1 149 208 VAL . 53294 1 150 209 SER . 53294 1 151 210 LEU . 53294 1 152 211 LYS . 53294 1 153 212 SER . 53294 1 154 213 GLU . 53294 1 155 214 ASP . 53294 1 156 215 GLY . 53294 1 157 216 GLN . 53294 1 158 217 ALA . 53294 1 159 218 ILE . 53294 1 160 219 SER . 53294 1 161 220 THR . 53294 1 162 221 LYS . 53294 1 163 222 ALA . 53294 1 164 223 ILE . 53294 1 165 224 GLN . 53294 1 166 225 THR . 53294 1 167 226 ASP . 53294 1 168 227 THR . 53294 1 169 228 ALA . 53294 1 170 229 ILE . 53294 1 171 230 ASN . 53294 1 172 231 PRO . 53294 1 173 232 GLY . 53294 1 174 233 ASN . 53294 1 175 234 SER . 53294 1 176 235 GLY . 53294 1 177 236 GLY . 53294 1 178 237 PRO . 53294 1 179 238 LEU . 53294 1 180 239 ILE . 53294 1 181 240 ASN . 53294 1 182 241 ILE . 53294 1 183 242 GLN . 53294 1 184 243 GLY . 53294 1 185 244 GLN . 53294 1 186 245 VAL . 53294 1 187 246 ILE . 53294 1 188 247 GLY . 53294 1 189 248 ILE . 53294 1 190 249 THR . 53294 1 191 250 SER . 53294 1 192 251 SER . 53294 1 193 252 LYS . 53294 1 194 253 ILE . 53294 1 195 254 ALA . 53294 1 196 255 THR . 53294 1 197 256 ASN . 53294 1 198 257 GLY . 53294 1 199 258 GLY . 53294 1 200 259 THR . 53294 1 201 260 SER . 53294 1 202 261 VAL . 53294 1 203 262 GLU . 53294 1 204 263 GLY . 53294 1 205 264 LEU . 53294 1 206 265 GLY . 53294 1 207 266 PHE . 53294 1 208 267 ALA . 53294 1 209 268 ILE . 53294 1 210 269 PRO . 53294 1 211 270 ALA . 53294 1 212 271 ASN . 53294 1 213 272 ASP . 53294 1 214 273 ALA . 53294 1 215 274 ILE . 53294 1 216 275 ASN . 53294 1 217 276 ILE . 53294 1 218 277 ILE . 53294 1 219 278 GLU . 53294 1 220 279 GLN . 53294 1 221 280 LEU . 53294 1 222 281 GLU . 53294 1 223 282 LYS . 53294 1 224 283 ASN . 53294 1 225 284 GLY . 53294 1 226 285 LYS . 53294 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 53294 1 . THR 2 2 53294 1 . THR 3 3 53294 1 . GLN 4 4 53294 1 . ALA 5 5 53294 1 . VAL 6 6 53294 1 . ASN 7 7 53294 1 . LYS 8 8 53294 1 . VAL 9 9 53294 1 . LYS 10 10 53294 1 . ASP 11 11 53294 1 . ALA 12 12 53294 1 . VAL 13 13 53294 1 . VAL 14 14 53294 1 . SER 15 15 53294 1 . VAL 16 16 53294 1 . ILE 17 17 53294 1 . THR 18 18 53294 1 . TYR 19 19 53294 1 . SER 20 20 53294 1 . ALA 21 21 53294 1 . ASN 22 22 53294 1 . ARG 23 23 53294 1 . GLN 24 24 53294 1 . ASN 25 25 53294 1 . SER 26 26 53294 1 . VAL 27 27 53294 1 . PHE 28 28 53294 1 . GLY 29 29 53294 1 . ASN 30 30 53294 1 . ASP 31 31 53294 1 . ASP 32 32 53294 1 . THR 33 33 53294 1 . ASP 34 34 53294 1 . THR 35 35 53294 1 . ASP 36 36 53294 1 . SER 37 37 53294 1 . GLN 38 38 53294 1 . ARG 39 39 53294 1 . ILE 40 40 53294 1 . SER 41 41 53294 1 . SER 42 42 53294 1 . GLU 43 43 53294 1 . GLY 44 44 53294 1 . SER 45 45 53294 1 . GLY 46 46 53294 1 . VAL 47 47 53294 1 . ILE 48 48 53294 1 . TYR 49 49 53294 1 . LYS 50 50 53294 1 . LYS 51 51 53294 1 . ASN 52 52 53294 1 . ASP 53 53 53294 1 . LYS 54 54 53294 1 . GLU 55 55 53294 1 . ALA 56 56 53294 1 . TYR 57 57 53294 1 . ILE 58 58 53294 1 . VAL 59 59 53294 1 . THR 60 60 53294 1 . ASN 61 61 53294 1 . ASN 62 62 53294 1 . HIS 63 63 53294 1 . VAL 64 64 53294 1 . ILE 65 65 53294 1 . ASN 66 66 53294 1 . GLY 67 67 53294 1 . ALA 68 68 53294 1 . SER 69 69 53294 1 . LYS 70 70 53294 1 . VAL 71 71 53294 1 . ASP 72 72 53294 1 . ILE 73 73 53294 1 . ARG 74 74 53294 1 . LEU 75 75 53294 1 . SER 76 76 53294 1 . ASP 77 77 53294 1 . GLY 78 78 53294 1 . THR 79 79 53294 1 . LYS 80 80 53294 1 . VAL 81 81 53294 1 . PRO 82 82 53294 1 . GLY 83 83 53294 1 . GLU 84 84 53294 1 . ILE 85 85 53294 1 . VAL 86 86 53294 1 . GLY 87 87 53294 1 . ALA 88 88 53294 1 . ASP 89 89 53294 1 . THR 90 90 53294 1 . PHE 91 91 53294 1 . SER 92 92 53294 1 . ASP 93 93 53294 1 . ILE 94 94 53294 1 . ALA 95 95 53294 1 . VAL 96 96 53294 1 . VAL 97 97 53294 1 . LYS 98 98 53294 1 . ILE 99 99 53294 1 . SER 100 100 53294 1 . SER 101 101 53294 1 . GLU 102 102 53294 1 . LYS 103 103 53294 1 . VAL 104 104 53294 1 . THR 105 105 53294 1 . THR 106 106 53294 1 . VAL 107 107 53294 1 . ALA 108 108 53294 1 . GLU 109 109 53294 1 . PHE 110 110 53294 1 . GLY 111 111 53294 1 . ASP 112 112 53294 1 . SER 113 113 53294 1 . SER 114 114 53294 1 . LYS 115 115 53294 1 . LEU 116 116 53294 1 . THR 117 117 53294 1 . VAL 118 118 53294 1 . GLY 119 119 53294 1 . GLU 120 120 53294 1 . THR 121 121 53294 1 . ALA 122 122 53294 1 . ILE 123 123 53294 1 . ALA 124 124 53294 1 . ILE 125 125 53294 1 . GLY 126 126 53294 1 . SER 127 127 53294 1 . PRO 128 128 53294 1 . LEU 129 129 53294 1 . GLY 130 130 53294 1 . SER 131 131 53294 1 . GLU 132 132 53294 1 . TYR 133 133 53294 1 . ALA 134 134 53294 1 . ASN 135 135 53294 1 . THR 136 136 53294 1 . VAL 137 137 53294 1 . THR 138 138 53294 1 . GLN 139 139 53294 1 . GLY 140 140 53294 1 . ILE 141 141 53294 1 . VAL 142 142 53294 1 . SER 143 143 53294 1 . SER 144 144 53294 1 . LEU 145 145 53294 1 . ASN 146 146 53294 1 . ARG 147 147 53294 1 . ASN 148 148 53294 1 . VAL 149 149 53294 1 . SER 150 150 53294 1 . LEU 151 151 53294 1 . LYS 152 152 53294 1 . SER 153 153 53294 1 . GLU 154 154 53294 1 . ASP 155 155 53294 1 . GLY 156 156 53294 1 . GLN 157 157 53294 1 . ALA 158 158 53294 1 . ILE 159 159 53294 1 . SER 160 160 53294 1 . THR 161 161 53294 1 . LYS 162 162 53294 1 . ALA 163 163 53294 1 . ILE 164 164 53294 1 . GLN 165 165 53294 1 . THR 166 166 53294 1 . ASP 167 167 53294 1 . THR 168 168 53294 1 . ALA 169 169 53294 1 . ILE 170 170 53294 1 . ASN 171 171 53294 1 . PRO 172 172 53294 1 . GLY 173 173 53294 1 . ASN 174 174 53294 1 . SER 175 175 53294 1 . GLY 176 176 53294 1 . GLY 177 177 53294 1 . PRO 178 178 53294 1 . LEU 179 179 53294 1 . ILE 180 180 53294 1 . ASN 181 181 53294 1 . ILE 182 182 53294 1 . GLN 183 183 53294 1 . GLY 184 184 53294 1 . GLN 185 185 53294 1 . VAL 186 186 53294 1 . ILE 187 187 53294 1 . GLY 188 188 53294 1 . ILE 189 189 53294 1 . THR 190 190 53294 1 . SER 191 191 53294 1 . SER 192 192 53294 1 . LYS 193 193 53294 1 . ILE 194 194 53294 1 . ALA 195 195 53294 1 . THR 196 196 53294 1 . ASN 197 197 53294 1 . GLY 198 198 53294 1 . GLY 199 199 53294 1 . THR 200 200 53294 1 . SER 201 201 53294 1 . VAL 202 202 53294 1 . GLU 203 203 53294 1 . GLY 204 204 53294 1 . LEU 205 205 53294 1 . GLY 206 206 53294 1 . PHE 207 207 53294 1 . ALA 208 208 53294 1 . ILE 209 209 53294 1 . PRO 210 210 53294 1 . ALA 211 211 53294 1 . ASN 212 212 53294 1 . ASP 213 213 53294 1 . ALA 214 214 53294 1 . ILE 215 215 53294 1 . ASN 216 216 53294 1 . ILE 217 217 53294 1 . ILE 218 218 53294 1 . GLU 219 219 53294 1 . GLN 220 220 53294 1 . LEU 221 221 53294 1 . GLU 222 222 53294 1 . LYS 223 223 53294 1 . ASN 224 224 53294 1 . GLY 225 225 53294 1 . LYS 226 226 53294 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53294 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53294 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . p21 . . . 53294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53294 _Sample.ID 1 _Sample.Name 'HtrA PD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HtrA PD' . . . 1 $entity_1 . . . . . mM . . . . 53294 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 53294 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53294 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53294 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53294 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'HtrA PD sample' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 53294 1 pH 6.5 . pH 53294 1 pressure 1 . atm 53294 1 temperature 308 . K 53294 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53294 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53294 1 'data analysis' . 53294 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53294 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53294 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53294 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53294 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'HtrA PD' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . 53294 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 53294 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 external direct 1 . . . . . 53294 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'HtrA PD' _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 $chem_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 '3D HNCA' . . . 53294 1 2 '3D HNCACB' . . . 53294 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53294 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 SER H H 1 8.591 . . . . . . . . 60 S HN . 53294 1 2 . 1 . 1 1 1 SER CA C 13 59.040 . . . . . . . . 60 S CA . 53294 1 3 . 1 . 1 1 1 SER CB C 13 63.082 . . . . . . . . 60 S CB . 53294 1 4 . 1 . 1 1 1 SER N N 15 115.855 . . . . . . . . 60 S N . 53294 1 5 . 1 . 1 2 2 THR H H 1 8.364 . . . . . . . . 61 T HN . 53294 1 6 . 1 . 1 2 2 THR CA C 13 65.194 . . . . . . . . 61 T CA . 53294 1 7 . 1 . 1 2 2 THR CB C 13 67.927 . . . . . . . . 61 T CB . 53294 1 8 . 1 . 1 2 2 THR N N 15 117.503 . . . . . . . . 61 T N . 53294 1 9 . 1 . 1 3 3 THR H H 1 7.852 . . . . . . . . 62 T HN . 53294 1 10 . 1 . 1 3 3 THR CA C 13 65.797 . . . . . . . . 62 T CA . 53294 1 11 . 1 . 1 3 3 THR CB C 13 68.165 . . . . . . . . 62 T CB . 53294 1 12 . 1 . 1 3 3 THR N N 15 116.671 . . . . . . . . 62 T N . 53294 1 13 . 1 . 1 4 4 GLN H H 1 7.947 . . . . . . . . 63 Q HN . 53294 1 14 . 1 . 1 4 4 GLN CA C 13 58.528 . . . . . . . . 63 Q CA . 53294 1 15 . 1 . 1 4 4 GLN CB C 13 27.603 . . . . . . . . 63 Q CB . 53294 1 16 . 1 . 1 4 4 GLN N N 15 119.525 . . . . . . . . 63 Q N . 53294 1 17 . 1 . 1 5 5 ALA H H 1 7.672 . . . . . . . . 64 A HN . 53294 1 18 . 1 . 1 5 5 ALA CA C 13 55.076 . . . . . . . . 64 A CA . 53294 1 19 . 1 . 1 5 5 ALA CB C 13 17.454 . . . . . . . . 64 A CB . 53294 1 20 . 1 . 1 5 5 ALA N N 15 122.625 . . . . . . . . 64 A N . 53294 1 21 . 1 . 1 6 6 VAL H H 1 7.905 . . . . . . . . 65 V HN . 53294 1 22 . 1 . 1 6 6 VAL CA C 13 65.701 . . . . . . . . 65 V CA . 53294 1 23 . 1 . 1 6 6 VAL CB C 13 31.279 . . . . . . . . 65 V CB . 53294 1 24 . 1 . 1 6 6 VAL N N 15 115.133 . . . . . . . . 65 V N . 53294 1 25 . 1 . 1 7 7 ASN H H 1 8.296 . . . . . . . . 66 N HN . 53294 1 26 . 1 . 1 7 7 ASN CA C 13 55.075 . . . . . . . . 66 N CA . 53294 1 27 . 1 . 1 7 7 ASN CB C 13 36.955 . . . . . . . . 66 N CB . 53294 1 28 . 1 . 1 7 7 ASN N N 15 117.019 . . . . . . . . 66 N N . 53294 1 29 . 1 . 1 8 8 LYS H H 1 7.589 . . . . . . . . 67 K HN . 53294 1 30 . 1 . 1 8 8 LYS CA C 13 58.178 . . . . . . . . 67 K CA . 53294 1 31 . 1 . 1 8 8 LYS CB C 13 31.819 . . . . . . . . 67 K CB . 53294 1 32 . 1 . 1 8 8 LYS N N 15 118.915 . . . . . . . . 67 K N . 53294 1 33 . 1 . 1 9 9 VAL H H 1 7.203 . . . . . . . . 68 V HN . 53294 1 34 . 1 . 1 9 9 VAL CA C 13 61.127 . . . . . . . . 68 V CA . 53294 1 35 . 1 . 1 9 9 VAL CB C 13 34.139 . . . . . . . . 68 V CB . 53294 1 36 . 1 . 1 9 9 VAL N N 15 114.006 . . . . . . . . 68 V N . 53294 1 37 . 1 . 1 10 10 LYS H H 1 8.213 . . . . . . . . 69 K HN . 53294 1 38 . 1 . 1 10 10 LYS CA C 13 60.502 . . . . . . . . 69 K CA . 53294 1 39 . 1 . 1 10 10 LYS CB C 13 30.655 . . . . . . . . 69 K CB . 53294 1 40 . 1 . 1 10 10 LYS N N 15 120.346 . . . . . . . . 69 K N . 53294 1 41 . 1 . 1 11 11 ASP H H 1 8.853 . . . . . . . . 70 D HN . 53294 1 42 . 1 . 1 11 11 ASP CA C 13 56.055 . . . . . . . . 70 D CA . 53294 1 43 . 1 . 1 11 11 ASP CB C 13 39.156 . . . . . . . . 70 D CB . 53294 1 44 . 1 . 1 11 11 ASP N N 15 117.215 . . . . . . . . 70 D N . 53294 1 45 . 1 . 1 12 12 ALA H H 1 8.507 . . . . . . . . 71 A HN . 53294 1 46 . 1 . 1 12 12 ALA CA C 13 51.187 . . . . . . . . 71 A CA . 53294 1 47 . 1 . 1 12 12 ALA CB C 13 19.171 . . . . . . . . 71 A CB . 53294 1 48 . 1 . 1 12 12 ALA N N 15 121.998 . . . . . . . . 71 A N . 53294 1 49 . 1 . 1 13 13 VAL H H 1 7.476 . . . . . . . . 72 V HN . 53294 1 50 . 1 . 1 13 13 VAL CA C 13 62.303 . . . . . . . . 72 V CA . 53294 1 51 . 1 . 1 13 13 VAL CB C 13 30.806 . . . . . . . . 72 V CB . 53294 1 52 . 1 . 1 13 13 VAL N N 15 120.304 . . . . . . . . 72 V N . 53294 1 53 . 1 . 1 14 14 VAL H H 1 8.332 . . . . . . . . 73 V HN . 53294 1 54 . 1 . 1 14 14 VAL CA C 13 57.969 . . . . . . . . 73 V CA . 53294 1 55 . 1 . 1 14 14 VAL CB C 13 33.619 . . . . . . . . 73 V CB . 53294 1 56 . 1 . 1 14 14 VAL N N 15 119.382 . . . . . . . . 73 V N . 53294 1 57 . 1 . 1 15 15 SER H H 1 8.417 . . . . . . . . 74 S HN . 53294 1 58 . 1 . 1 15 15 SER CA C 13 56.884 . . . . . . . . 74 S CA . 53294 1 59 . 1 . 1 15 15 SER CB C 13 63.335 . . . . . . . . 74 S CB . 53294 1 60 . 1 . 1 15 15 SER N N 15 114.456 . . . . . . . . 74 S N . 53294 1 61 . 1 . 1 16 16 VAL H H 1 8.563 . . . . . . . . 75 V HN . 53294 1 62 . 1 . 1 16 16 VAL CA C 13 61.215 . . . . . . . . 75 V CA . 53294 1 63 . 1 . 1 16 16 VAL CB C 13 32.171 . . . . . . . . 75 V CB . 53294 1 64 . 1 . 1 16 16 VAL N N 15 126.411 . . . . . . . . 75 V N . 53294 1 65 . 1 . 1 17 17 ILE H H 1 8.940 . . . . . . . . 76 I HN . 53294 1 66 . 1 . 1 17 17 ILE CA C 13 60.315 . . . . . . . . 76 I CA . 53294 1 67 . 1 . 1 17 17 ILE CB C 13 40.208 . . . . . . . . 76 I CB . 53294 1 68 . 1 . 1 17 17 ILE N N 15 127.469 . . . . . . . . 76 I N . 53294 1 69 . 1 . 1 18 18 THR H H 1 8.432 . . . . . . . . 77 T HN . 53294 1 70 . 1 . 1 18 18 THR CA C 13 59.409 . . . . . . . . 77 T CA . 53294 1 71 . 1 . 1 18 18 THR CB C 13 70.381 . . . . . . . . 77 T CB . 53294 1 72 . 1 . 1 18 18 THR N N 15 116.632 . . . . . . . . 77 T N . 53294 1 73 . 1 . 1 19 19 TYR H H 1 8.146 . . . . . . . . 78 Y HN . 53294 1 74 . 1 . 1 19 19 TYR CA C 13 56.398 . . . . . . . . 78 Y CA . 53294 1 75 . 1 . 1 19 19 TYR CB C 13 40.240 . . . . . . . . 78 Y CB . 53294 1 76 . 1 . 1 19 19 TYR N N 15 119.047 . . . . . . . . 78 Y N . 53294 1 77 . 1 . 1 20 20 SER H H 1 8.751 . . . . . . . . 79 S HN . 53294 1 78 . 1 . 1 20 20 SER CA C 13 57.518 . . . . . . . . 79 S CA . 53294 1 79 . 1 . 1 20 20 SER CB C 13 64.175 . . . . . . . . 79 S CB . 53294 1 80 . 1 . 1 20 20 SER N N 15 116.162 . . . . . . . . 79 S N . 53294 1 81 . 1 . 1 21 21 ALA H H 1 8.475 . . . . . . . . 80 A HN . 53294 1 82 . 1 . 1 21 21 ALA CA C 13 52.095 . . . . . . . . 80 A CA . 53294 1 83 . 1 . 1 21 21 ALA CB C 13 18.657 . . . . . . . . 80 A CB . 53294 1 84 . 1 . 1 21 21 ALA N N 15 125.092 . . . . . . . . 80 A N . 53294 1 85 . 1 . 1 22 22 ASN H H 1 8.403 . . . . . . . . 81 N HN . 53294 1 86 . 1 . 1 22 22 ASN CA C 13 52.924 . . . . . . . . 81 N CA . 53294 1 87 . 1 . 1 22 22 ASN CB C 13 38.310 . . . . . . . . 81 N CB . 53294 1 88 . 1 . 1 22 22 ASN N N 15 117.985 . . . . . . . . 81 N N . 53294 1 89 . 1 . 1 23 23 ARG H H 1 8.305 . . . . . . . . 82 R HN . 53294 1 90 . 1 . 1 23 23 ARG CA C 13 55.789 . . . . . . . . 82 R CA . 53294 1 91 . 1 . 1 23 23 ARG CB C 13 29.857 . . . . . . . . 82 R CB . 53294 1 92 . 1 . 1 23 23 ARG N N 15 121.453 . . . . . . . . 82 R N . 53294 1 93 . 1 . 1 24 24 GLN H H 1 8.397 . . . . . . . . 83 Q HN . 53294 1 94 . 1 . 1 24 24 GLN CA C 13 55.797 . . . . . . . . 83 Q CA . 53294 1 95 . 1 . 1 24 24 GLN CB C 13 28.534 . . . . . . . . 83 Q CB . 53294 1 96 . 1 . 1 24 24 GLN N N 15 120.683 . . . . . . . . 83 Q N . 53294 1 97 . 1 . 1 25 25 ASN H H 1 8.393 . . . . . . . . 84 N HN . 53294 1 98 . 1 . 1 25 25 ASN CA C 13 53.129 . . . . . . . . 84 N CA . 53294 1 99 . 1 . 1 25 25 ASN CB C 13 38.343 . . . . . . . . 84 N CB . 53294 1 100 . 1 . 1 25 25 ASN N N 15 119.033 . . . . . . . . 84 N N . 53294 1 101 . 1 . 1 26 26 SER H H 1 8.198 . . . . . . . . 85 S HN . 53294 1 102 . 1 . 1 26 26 SER CA C 13 58.067 . . . . . . . . 85 S CA . 53294 1 103 . 1 . 1 26 26 SER CB C 13 63.141 . . . . . . . . 85 S CB . 53294 1 104 . 1 . 1 26 26 SER N N 15 115.630 . . . . . . . . 85 S N . 53294 1 105 . 1 . 1 27 27 VAL H H 1 8.014 . . . . . . . . 86 V HN . 53294 1 106 . 1 . 1 27 27 VAL CA C 13 62.191 . . . . . . . . 86 V CA . 53294 1 107 . 1 . 1 27 27 VAL N N 15 120.898 . . . . . . . . 86 V N . 53294 1 108 . 1 . 1 28 28 PHE H H 1 8.157 . . . . . . . . 87 F HN . 53294 1 109 . 1 . 1 28 28 PHE CA C 13 57.443 . . . . . . . . 87 F CA . 53294 1 110 . 1 . 1 28 28 PHE CB C 13 38.856 . . . . . . . . 87 F CB . 53294 1 111 . 1 . 1 28 28 PHE N N 15 121.963 . . . . . . . . 87 F N . 53294 1 112 . 1 . 1 29 29 GLY H H 1 8.171 . . . . . . . . 88 G HN . 53294 1 113 . 1 . 1 29 29 GLY CA C 13 44.925 . . . . . . . . 88 G CA . 53294 1 114 . 1 . 1 29 29 GLY N N 15 110.108 . . . . . . . . 88 G N . 53294 1 115 . 1 . 1 30 30 ASN H H 1 8.224 . . . . . . . . 89 N HN . 53294 1 116 . 1 . 1 30 30 ASN CA C 13 52.927 . . . . . . . . 89 N CA . 53294 1 117 . 1 . 1 30 30 ASN CB C 13 38.647 . . . . . . . . 89 N CB . 53294 1 118 . 1 . 1 30 30 ASN N N 15 118.393 . . . . . . . . 89 N N . 53294 1 119 . 1 . 1 31 31 ASP H H 1 8.340 . . . . . . . . 90 D HN . 53294 1 120 . 1 . 1 31 31 ASP CA C 13 54.082 . . . . . . . . 90 D CA . 53294 1 121 . 1 . 1 31 31 ASP CB C 13 38.652 . . . . . . . . 90 D CB . 53294 1 122 . 1 . 1 31 31 ASP N N 15 120.177 . . . . . . . . 90 D N . 53294 1 123 . 1 . 1 32 32 ASP CA C 13 54.219 . . . . . . . . 91 D CA . 53294 1 124 . 1 . 1 33 33 THR H H 1 8.096 . . . . . . . . 92 T HN . 53294 1 125 . 1 . 1 33 33 THR CA C 13 61.906 . . . . . . . . 92 T CA . 53294 1 126 . 1 . 1 33 33 THR CB C 13 69.280 . . . . . . . . 92 T CB . 53294 1 127 . 1 . 1 33 33 THR N N 15 113.058 . . . . . . . . 92 T N . 53294 1 128 . 1 . 1 34 34 ASP H H 1 8.274 . . . . . . . . 93 D HN . 53294 1 129 . 1 . 1 34 34 ASP CA C 13 54.083 . . . . . . . . 93 D CA . 53294 1 130 . 1 . 1 34 34 ASP N N 15 122.315 . . . . . . . . 93 D N . 53294 1 131 . 1 . 1 35 35 THR H H 1 8.056 . . . . . . . . 94 T HN . 53294 1 132 . 1 . 1 35 35 THR CA C 13 62.150 . . . . . . . . 94 T CA . 53294 1 133 . 1 . 1 35 35 THR CB C 13 69.015 . . . . . . . . 94 T CB . 53294 1 134 . 1 . 1 35 35 THR N N 15 114.024 . . . . . . . . 94 T N . 53294 1 135 . 1 . 1 36 36 ASP H H 1 8.311 . . . . . . . . 95 D HN . 53294 1 136 . 1 . 1 36 36 ASP CA C 13 54.669 . . . . . . . . 95 D CA . 53294 1 137 . 1 . 1 36 36 ASP CB C 13 38.924 . . . . . . . . 95 D CB . 53294 1 138 . 1 . 1 36 36 ASP N N 15 122.007 . . . . . . . . 95 D N . 53294 1 139 . 1 . 1 37 37 SER H H 1 8.107 . . . . . . . . 96 S HN . 53294 1 140 . 1 . 1 37 37 SER CA C 13 58.771 . . . . . . . . 96 S CA . 53294 1 141 . 1 . 1 37 37 SER CB C 13 62.865 . . . . . . . . 96 S CB . 53294 1 142 . 1 . 1 37 37 SER N N 15 115.492 . . . . . . . . 96 S N . 53294 1 143 . 1 . 1 38 38 GLN H H 1 8.122 . . . . . . . . 97 Q HN . 53294 1 144 . 1 . 1 38 38 GLN CA C 13 55.449 . . . . . . . . 97 Q CA . 53294 1 145 . 1 . 1 38 38 GLN CB C 13 28.798 . . . . . . . . 97 Q CB . 53294 1 146 . 1 . 1 38 38 GLN N N 15 120.582 . . . . . . . . 97 Q N . 53294 1 147 . 1 . 1 39 39 ARG H H 1 8.257 . . . . . . . . 98 R HN . 53294 1 148 . 1 . 1 39 39 ARG CA C 13 55.097 . . . . . . . . 98 R CA . 53294 1 149 . 1 . 1 39 39 ARG CB C 13 30.519 . . . . . . . . 98 R CB . 53294 1 150 . 1 . 1 39 39 ARG N N 15 121.263 . . . . . . . . 98 R N . 53294 1 151 . 1 . 1 40 40 ILE H H 1 8.322 . . . . . . . . 99 I HN . 53294 1 152 . 1 . 1 40 40 ILE CA C 13 61.873 . . . . . . . . 99 I CA . 53294 1 153 . 1 . 1 40 40 ILE CB C 13 38.014 . . . . . . . . 99 I CB . 53294 1 154 . 1 . 1 40 40 ILE N N 15 123.517 . . . . . . . . 99 I N . 53294 1 155 . 1 . 1 41 41 SER H H 1 8.924 . . . . . . . . 100 S HN . 53294 1 156 . 1 . 1 41 41 SER CA C 13 57.820 . . . . . . . . 100 S CA . 53294 1 157 . 1 . 1 41 41 SER CB C 13 63.624 . . . . . . . . 100 S CB . 53294 1 158 . 1 . 1 41 41 SER N N 15 122.122 . . . . . . . . 100 S N . 53294 1 159 . 1 . 1 42 42 SER H H 1 7.771 . . . . . . . . 101 S HN . 53294 1 160 . 1 . 1 42 42 SER CA C 13 57.350 . . . . . . . . 101 S CA . 53294 1 161 . 1 . 1 42 42 SER CB C 13 64.227 . . . . . . . . 101 S CB . 53294 1 162 . 1 . 1 42 42 SER N N 15 115.643 . . . . . . . . 101 S N . 53294 1 163 . 1 . 1 43 43 GLU H H 1 7.970 . . . . . . . . 102 E HN . 53294 1 164 . 1 . 1 43 43 GLU CA C 13 54.553 . . . . . . . . 102 E CA . 53294 1 165 . 1 . 1 43 43 GLU CB C 13 32.405 . . . . . . . . 102 E CB . 53294 1 166 . 1 . 1 43 43 GLU N N 15 119.647 . . . . . . . . 102 E N . 53294 1 167 . 1 . 1 44 44 GLY H H 1 8.678 . . . . . . . . 103 G HN . 53294 1 168 . 1 . 1 44 44 GLY CA C 13 44.696 . . . . . . . . 103 G CA . 53294 1 169 . 1 . 1 44 44 GLY N N 15 109.203 . . . . . . . . 103 G N . 53294 1 170 . 1 . 1 45 45 SER H H 1 8.704 . . . . . . . . 104 S HN . 53294 1 171 . 1 . 1 45 45 SER CA C 13 57.485 . . . . . . . . 104 S CA . 53294 1 172 . 1 . 1 45 45 SER CB C 13 65.548 . . . . . . . . 104 S CB . 53294 1 173 . 1 . 1 45 45 SER N N 15 116.610 . . . . . . . . 104 S N . 53294 1 174 . 1 . 1 46 46 GLY H H 1 8.219 . . . . . . . . 105 G HN . 53294 1 175 . 1 . 1 46 46 GLY CA C 13 45.067 . . . . . . . . 105 G CA . 53294 1 176 . 1 . 1 46 46 GLY N N 15 107.728 . . . . . . . . 105 G N . 53294 1 177 . 1 . 1 47 47 VAL H H 1 9.062 . . . . . . . . 106 V HN . 53294 1 178 . 1 . 1 47 47 VAL CA C 13 59.319 . . . . . . . . 106 V CA . 53294 1 179 . 1 . 1 47 47 VAL CB C 13 35.247 . . . . . . . . 106 V CB . 53294 1 180 . 1 . 1 47 47 VAL N N 15 118.098 . . . . . . . . 106 V N . 53294 1 181 . 1 . 1 48 48 ILE H H 1 9.521 . . . . . . . . 107 I HN . 53294 1 182 . 1 . 1 48 48 ILE CA C 13 61.706 . . . . . . . . 107 I CA . 53294 1 183 . 1 . 1 48 48 ILE CB C 13 37.990 . . . . . . . . 107 I CB . 53294 1 184 . 1 . 1 48 48 ILE N N 15 129.466 . . . . . . . . 107 I N . 53294 1 185 . 1 . 1 49 49 TYR H H 1 8.694 . . . . . . . . 108 Y HN . 53294 1 186 . 1 . 1 49 49 TYR CA C 13 56.053 . . . . . . . . 108 Y CA . 53294 1 187 . 1 . 1 49 49 TYR CB C 13 40.461 . . . . . . . . 108 Y CB . 53294 1 188 . 1 . 1 49 49 TYR N N 15 124.146 . . . . . . . . 108 Y N . 53294 1 189 . 1 . 1 50 50 LYS H H 1 7.074 . . . . . . . . 109 K HN . 53294 1 190 . 1 . 1 50 50 LYS CA C 13 56.168 . . . . . . . . 109 K CA . 53294 1 191 . 1 . 1 50 50 LYS CB C 13 34.901 . . . . . . . . 109 K CB . 53294 1 192 . 1 . 1 50 50 LYS N N 15 121.582 . . . . . . . . 109 K N . 53294 1 193 . 1 . 1 51 51 LYS H H 1 8.909 . . . . . . . . 110 K HN . 53294 1 194 . 1 . 1 51 51 LYS CA C 13 55.377 . . . . . . . . 110 K CA . 53294 1 195 . 1 . 1 51 51 LYS CB C 13 35.218 . . . . . . . . 110 K CB . 53294 1 196 . 1 . 1 51 51 LYS N N 15 123.201 . . . . . . . . 110 K N . 53294 1 197 . 1 . 1 52 52 ASN H H 1 9.025 . . . . . . . . 111 N HN . 53294 1 198 . 1 . 1 52 52 ASN CA C 13 51.724 . . . . . . . . 111 N CA . 53294 1 199 . 1 . 1 52 52 ASN CB C 13 38.912 . . . . . . . . 111 N CB . 53294 1 200 . 1 . 1 52 52 ASN N N 15 122.251 . . . . . . . . 111 N N . 53294 1 201 . 1 . 1 53 53 ASP H H 1 8.610 . . . . . . . . 112 D HN . 53294 1 202 . 1 . 1 53 53 ASP CA C 13 56.524 . . . . . . . . 112 D CA . 53294 1 203 . 1 . 1 53 53 ASP CB C 13 39.133 . . . . . . . . 112 D CB . 53294 1 204 . 1 . 1 53 53 ASP N N 15 117.687 . . . . . . . . 112 D N . 53294 1 205 . 1 . 1 54 54 LYS H H 1 8.566 . . . . . . . . 113 K HN . 53294 1 206 . 1 . 1 54 54 LYS CA C 13 56.761 . . . . . . . . 113 K CA . 53294 1 207 . 1 . 1 54 54 LYS CB C 13 34.418 . . . . . . . . 113 K CB . 53294 1 208 . 1 . 1 54 54 LYS N N 15 117.171 . . . . . . . . 113 K N . 53294 1 209 . 1 . 1 55 55 GLU H H 1 8.469 . . . . . . . . 114 E HN . 53294 1 210 . 1 . 1 55 55 GLU CA C 13 54.411 . . . . . . . . 114 E CA . 53294 1 211 . 1 . 1 55 55 GLU CB C 13 32.963 . . . . . . . . 114 E CB . 53294 1 212 . 1 . 1 55 55 GLU N N 15 119.699 . . . . . . . . 114 E N . 53294 1 213 . 1 . 1 56 56 ALA H H 1 9.094 . . . . . . . . 115 A HN . 53294 1 214 . 1 . 1 56 56 ALA CA C 13 49.723 . . . . . . . . 115 A CA . 53294 1 215 . 1 . 1 56 56 ALA CB C 13 22.023 . . . . . . . . 115 A CB . 53294 1 216 . 1 . 1 56 56 ALA N N 15 122.026 . . . . . . . . 115 A N . 53294 1 217 . 1 . 1 57 57 TYR H H 1 8.438 . . . . . . . . 116 Y HN . 53294 1 218 . 1 . 1 57 57 TYR CA C 13 57.118 . . . . . . . . 116 Y CA . 53294 1 219 . 1 . 1 57 57 TYR CB C 13 40.457 . . . . . . . . 116 Y CB . 53294 1 220 . 1 . 1 57 57 TYR N N 15 118.192 . . . . . . . . 116 Y N . 53294 1 221 . 1 . 1 58 58 ILE H H 1 9.462 . . . . . . . . 117 I HN . 53294 1 222 . 1 . 1 58 58 ILE CA C 13 58.665 . . . . . . . . 117 I CA . 53294 1 223 . 1 . 1 58 58 ILE CB C 13 41.918 . . . . . . . . 117 I CB . 53294 1 224 . 1 . 1 58 58 ILE N N 15 122.560 . . . . . . . . 117 I N . 53294 1 225 . 1 . 1 59 59 VAL H H 1 9.349 . . . . . . . . 118 V HN . 53294 1 226 . 1 . 1 59 59 VAL CA C 13 58.052 . . . . . . . . 118 V CA . 53294 1 227 . 1 . 1 59 59 VAL CB C 13 32.918 . . . . . . . . 118 V CB . 53294 1 228 . 1 . 1 59 59 VAL N N 15 124.743 . . . . . . . . 118 V N . 53294 1 229 . 1 . 1 60 60 THR H H 1 8.685 . . . . . . . . 119 T HN . 53294 1 230 . 1 . 1 60 60 THR CA C 13 58.528 . . . . . . . . 119 T CA . 53294 1 231 . 1 . 1 60 60 THR CB C 13 68.150 . . . . . . . . 119 T CB . 53294 1 232 . 1 . 1 60 60 THR N N 15 122.934 . . . . . . . . 119 T N . 53294 1 233 . 1 . 1 61 61 ASN H H 1 8.672 . . . . . . . . 120 N HN . 53294 1 234 . 1 . 1 61 61 ASN CA C 13 51.407 . . . . . . . . 120 N CA . 53294 1 235 . 1 . 1 61 61 ASN CB C 13 41.355 . . . . . . . . 120 N CB . 53294 1 236 . 1 . 1 61 61 ASN N N 15 115.782 . . . . . . . . 120 N N . 53294 1 237 . 1 . 1 62 62 ASN H H 1 6.838 . . . . . . . . 121 N HN . 53294 1 238 . 1 . 1 62 62 ASN CA C 13 56.253 . . . . . . . . 121 N CA . 53294 1 239 . 1 . 1 62 62 ASN N N 15 119.834 . . . . . . . . 121 N N . 53294 1 240 . 1 . 1 63 63 HIS H H 1 10.244 . . . . . . . . 122 H HN . 53294 1 241 . 1 . 1 63 63 HIS CA C 13 58.772 . . . . . . . . 122 H CA . 53294 1 242 . 1 . 1 63 63 HIS N N 15 115.039 . . . . . . . . 122 H N . 53294 1 243 . 1 . 1 64 64 VAL H H 1 6.105 . . . . . . . . 123 V HN . 53294 1 244 . 1 . 1 64 64 VAL CA C 13 63.645 . . . . . . . . 123 V CA . 53294 1 245 . 1 . 1 64 64 VAL CB C 13 31.262 . . . . . . . . 123 V CB . 53294 1 246 . 1 . 1 64 64 VAL N N 15 117.939 . . . . . . . . 123 V N . 53294 1 247 . 1 . 1 65 65 ILE H H 1 6.469 . . . . . . . . 124 I HN . 53294 1 248 . 1 . 1 65 65 ILE CA C 13 60.273 . . . . . . . . 124 I CA . 53294 1 249 . 1 . 1 65 65 ILE CB C 13 37.384 . . . . . . . . 124 I CB . 53294 1 250 . 1 . 1 65 65 ILE N N 15 110.630 . . . . . . . . 124 I N . 53294 1 251 . 1 . 1 66 66 ASN H H 1 7.831 . . . . . . . . 125 N HN . 53294 1 252 . 1 . 1 66 66 ASN CA C 13 54.883 . . . . . . . . 125 N CA . 53294 1 253 . 1 . 1 66 66 ASN CB C 13 37.832 . . . . . . . . 125 N CB . 53294 1 254 . 1 . 1 66 66 ASN N N 15 118.648 . . . . . . . . 125 N N . 53294 1 255 . 1 . 1 67 67 GLY H H 1 8.777 . . . . . . . . 126 G HN . 53294 1 256 . 1 . 1 67 67 GLY CA C 13 45.068 . . . . . . . . 126 G CA . 53294 1 257 . 1 . 1 67 67 GLY N N 15 111.801 . . . . . . . . 126 G N . 53294 1 258 . 1 . 1 68 68 ALA H H 1 7.680 . . . . . . . . 127 A HN . 53294 1 259 . 1 . 1 68 68 ALA CA C 13 52.242 . . . . . . . . 127 A CA . 53294 1 260 . 1 . 1 68 68 ALA CB C 13 19.496 . . . . . . . . 127 A CB . 53294 1 261 . 1 . 1 68 68 ALA N N 15 122.447 . . . . . . . . 127 A N . 53294 1 262 . 1 . 1 69 69 SER H H 1 8.909 . . . . . . . . 128 S HN . 53294 1 263 . 1 . 1 69 69 SER CA C 13 58.820 . . . . . . . . 128 S CA . 53294 1 264 . 1 . 1 69 69 SER CB C 13 63.339 . . . . . . . . 128 S CB . 53294 1 265 . 1 . 1 69 69 SER N N 15 114.891 . . . . . . . . 128 S N . 53294 1 266 . 1 . 1 70 70 LYS H H 1 7.676 . . . . . . . . 129 K HN . 53294 1 267 . 1 . 1 70 70 LYS CA C 13 55.419 . . . . . . . . 129 K CA . 53294 1 268 . 1 . 1 70 70 LYS CB C 13 34.562 . . . . . . . . 129 K CB . 53294 1 269 . 1 . 1 70 70 LYS N N 15 120.750 . . . . . . . . 129 K N . 53294 1 270 . 1 . 1 71 71 VAL H H 1 8.644 . . . . . . . . 130 V HN . 53294 1 271 . 1 . 1 71 71 VAL CA C 13 59.931 . . . . . . . . 130 V CA . 53294 1 272 . 1 . 1 71 71 VAL CB C 13 34.395 . . . . . . . . 130 V CB . 53294 1 273 . 1 . 1 71 71 VAL N N 15 121.247 . . . . . . . . 130 V N . 53294 1 274 . 1 . 1 72 72 ASP H H 1 9.430 . . . . . . . . 131 D HN . 53294 1 275 . 1 . 1 72 72 ASP CA C 13 52.633 . . . . . . . . 131 D CA . 53294 1 276 . 1 . 1 72 72 ASP CB C 13 44.025 . . . . . . . . 131 D CB . 53294 1 277 . 1 . 1 72 72 ASP N N 15 126.042 . . . . . . . . 131 D N . 53294 1 278 . 1 . 1 73 73 ILE H H 1 9.059 . . . . . . . . 132 I HN . 53294 1 279 . 1 . 1 73 73 ILE CA C 13 55.610 . . . . . . . . 132 I CA . 53294 1 280 . 1 . 1 73 73 ILE CB C 13 36.648 . . . . . . . . 132 I CB . 53294 1 281 . 1 . 1 73 73 ILE N N 15 120.902 . . . . . . . . 132 I N . 53294 1 282 . 1 . 1 74 74 ARG H H 1 8.913 . . . . . . . . 133 R HN . 53294 1 283 . 1 . 1 74 74 ARG CA C 13 53.769 . . . . . . . . 133 R CA . 53294 1 284 . 1 . 1 74 74 ARG CB C 13 31.867 . . . . . . . . 133 R CB . 53294 1 285 . 1 . 1 74 74 ARG N N 15 126.067 . . . . . . . . 133 R N . 53294 1 286 . 1 . 1 75 75 LEU H H 1 8.910 . . . . . . . . 134 L HN . 53294 1 287 . 1 . 1 75 75 LEU CA C 13 54.097 . . . . . . . . 134 L CA . 53294 1 288 . 1 . 1 75 75 LEU CB C 13 41.605 . . . . . . . . 134 L CB . 53294 1 289 . 1 . 1 75 75 LEU N N 15 126.822 . . . . . . . . 134 L N . 53294 1 290 . 1 . 1 76 76 SER H H 1 9.689 . . . . . . . . 135 S HN . 53294 1 291 . 1 . 1 76 76 SER CA C 13 60.671 . . . . . . . . 135 S CA . 53294 1 292 . 1 . 1 76 76 SER CB C 13 62.381 . . . . . . . . 135 S CB . 53294 1 293 . 1 . 1 76 76 SER N N 15 116.256 . . . . . . . . 135 S N . 53294 1 294 . 1 . 1 77 77 ASP H H 1 7.667 . . . . . . . . 136 D HN . 53294 1 295 . 1 . 1 77 77 ASP CA C 13 53.128 . . . . . . . . 136 D CA . 53294 1 296 . 1 . 1 77 77 ASP CB C 13 39.592 . . . . . . . . 136 D CB . 53294 1 297 . 1 . 1 77 77 ASP N N 15 119.139 . . . . . . . . 136 D N . 53294 1 298 . 1 . 1 78 78 GLY H H 1 8.455 . . . . . . . . 137 G HN . 53294 1 299 . 1 . 1 78 78 GLY CA C 13 44.290 . . . . . . . . 137 G CA . 53294 1 300 . 1 . 1 78 78 GLY N N 15 108.856 . . . . . . . . 137 G N . 53294 1 301 . 1 . 1 79 79 THR H H 1 8.104 . . . . . . . . 138 T HN . 53294 1 302 . 1 . 1 79 79 THR CA C 13 64.580 . . . . . . . . 138 T CA . 53294 1 303 . 1 . 1 79 79 THR CB C 13 68.108 . . . . . . . . 138 T CB . 53294 1 304 . 1 . 1 79 79 THR N N 15 119.875 . . . . . . . . 138 T N . 53294 1 305 . 1 . 1 80 80 LYS H H 1 8.528 . . . . . . . . 139 K HN . 53294 1 306 . 1 . 1 80 80 LYS CA C 13 54.673 . . . . . . . . 139 K CA . 53294 1 307 . 1 . 1 80 80 LYS CB C 13 32.918 . . . . . . . . 139 K CB . 53294 1 308 . 1 . 1 80 80 LYS N N 15 127.010 . . . . . . . . 139 K N . 53294 1 309 . 1 . 1 81 81 VAL H H 1 9.500 . . . . . . . . 140 V HN . 53294 1 310 . 1 . 1 81 81 VAL CA C 13 57.276 . . . . . . . . 140 V CA . 53294 1 311 . 1 . 1 81 81 VAL CB C 13 33.310 . . . . . . . . 140 V CB . 53294 1 312 . 1 . 1 81 81 VAL N N 15 122.925 . . . . . . . . 140 V N . 53294 1 313 . 1 . 1 82 82 PRO CA C 13 62.391 . . . . . . . . 141 P CA . 53294 1 314 . 1 . 1 83 83 GLY H H 1 8.786 . . . . . . . . 142 G HN . 53294 1 315 . 1 . 1 83 83 GLY CA C 13 43.419 . . . . . . . . 142 G CA . 53294 1 316 . 1 . 1 83 83 GLY N N 15 107.377 . . . . . . . . 142 G N . 53294 1 317 . 1 . 1 84 84 GLU H H 1 8.636 . . . . . . . . 143 E HN . 53294 1 318 . 1 . 1 84 84 GLU CA C 13 53.764 . . . . . . . . 143 E CA . 53294 1 319 . 1 . 1 84 84 GLU CB C 13 32.105 . . . . . . . . 143 E CB . 53294 1 320 . 1 . 1 84 84 GLU N N 15 120.139 . . . . . . . . 143 E N . 53294 1 321 . 1 . 1 85 85 ILE H H 1 9.028 . . . . . . . . 144 I HN . 53294 1 322 . 1 . 1 85 85 ILE CA C 13 62.380 . . . . . . . . 144 I CA . 53294 1 323 . 1 . 1 85 85 ILE CB C 13 36.954 . . . . . . . . 144 I CB . 53294 1 324 . 1 . 1 85 85 ILE N N 15 125.656 . . . . . . . . 144 I N . 53294 1 325 . 1 . 1 86 86 VAL H H 1 9.045 . . . . . . . . 145 V HN . 53294 1 326 . 1 . 1 86 86 VAL CA C 13 63.565 . . . . . . . . 145 V CA . 53294 1 327 . 1 . 1 86 86 VAL CB C 13 32.142 . . . . . . . . 145 V CB . 53294 1 328 . 1 . 1 86 86 VAL N N 15 130.916 . . . . . . . . 145 V N . 53294 1 329 . 1 . 1 87 87 GLY H H 1 7.349 . . . . . . . . 146 G HN . 53294 1 330 . 1 . 1 87 87 GLY CA C 13 45.123 . . . . . . . . 146 G CA . 53294 1 331 . 1 . 1 87 87 GLY N N 15 102.442 . . . . . . . . 146 G N . 53294 1 332 . 1 . 1 88 88 ALA H H 1 8.582 . . . . . . . . 147 A HN . 53294 1 333 . 1 . 1 88 88 ALA CA C 13 51.976 . . . . . . . . 147 A CA . 53294 1 334 . 1 . 1 88 88 ALA CB C 13 22.363 . . . . . . . . 147 A CB . 53294 1 335 . 1 . 1 88 88 ALA N N 15 122.529 . . . . . . . . 147 A N . 53294 1 336 . 1 . 1 89 89 ASP H H 1 9.251 . . . . . . . . 148 D HN . 53294 1 337 . 1 . 1 89 89 ASP CA C 13 52.555 . . . . . . . . 148 D CA . 53294 1 338 . 1 . 1 89 89 ASP CB C 13 43.653 . . . . . . . . 148 D CB . 53294 1 339 . 1 . 1 89 89 ASP N N 15 121.749 . . . . . . . . 148 D N . 53294 1 340 . 1 . 1 90 90 THR H H 1 8.540 . . . . . . . . 149 T HN . 53294 1 341 . 1 . 1 90 90 THR CA C 13 64.487 . . . . . . . . 149 T CA . 53294 1 342 . 1 . 1 90 90 THR CB C 13 68.162 . . . . . . . . 149 T CB . 53294 1 343 . 1 . 1 90 90 THR N N 15 119.595 . . . . . . . . 149 T N . 53294 1 344 . 1 . 1 91 91 PHE H H 1 7.806 . . . . . . . . 150 F HN . 53294 1 345 . 1 . 1 91 91 PHE CA C 13 59.883 . . . . . . . . 150 F CA . 53294 1 346 . 1 . 1 91 91 PHE N N 15 118.784 . . . . . . . . 150 F N . 53294 1 347 . 1 . 1 92 92 SER H H 1 7.559 . . . . . . . . 151 S HN . 53294 1 348 . 1 . 1 92 92 SER CA C 13 57.892 . . . . . . . . 151 S CA . 53294 1 349 . 1 . 1 92 92 SER CB C 13 64.292 . . . . . . . . 151 S CB . 53294 1 350 . 1 . 1 92 92 SER N N 15 110.190 . . . . . . . . 151 S N . 53294 1 351 . 1 . 1 93 93 ASP H H 1 7.514 . . . . . . . . 152 D HN . 53294 1 352 . 1 . 1 93 93 ASP CA C 13 55.182 . . . . . . . . 152 D CA . 53294 1 353 . 1 . 1 93 93 ASP CB C 13 39.724 . . . . . . . . 152 D CB . 53294 1 354 . 1 . 1 93 93 ASP N N 15 114.892 . . . . . . . . 152 D N . 53294 1 355 . 1 . 1 94 94 ILE H H 1 7.735 . . . . . . . . 153 I HN . 53294 1 356 . 1 . 1 94 94 ILE CA C 13 58.216 . . . . . . . . 153 I CA . 53294 1 357 . 1 . 1 94 94 ILE CB C 13 38.648 . . . . . . . . 153 I CB . 53294 1 358 . 1 . 1 94 94 ILE N N 15 120.344 . . . . . . . . 153 I N . 53294 1 359 . 1 . 1 95 95 ALA H H 1 8.473 . . . . . . . . 154 A HN . 53294 1 360 . 1 . 1 95 95 ALA CA C 13 50.541 . . . . . . . . 154 A CA . 53294 1 361 . 1 . 1 95 95 ALA CB C 13 22.806 . . . . . . . . 154 A CB . 53294 1 362 . 1 . 1 95 95 ALA N N 15 126.824 . . . . . . . . 154 A N . 53294 1 363 . 1 . 1 96 96 VAL H H 1 8.425 . . . . . . . . 155 V HN . 53294 1 364 . 1 . 1 96 96 VAL CA C 13 60.308 . . . . . . . . 155 V CA . 53294 1 365 . 1 . 1 96 96 VAL CB C 13 35.473 . . . . . . . . 155 V CB . 53294 1 366 . 1 . 1 96 96 VAL N N 15 118.136 . . . . . . . . 155 V N . 53294 1 367 . 1 . 1 97 97 VAL H H 1 9.444 . . . . . . . . 156 V HN . 53294 1 368 . 1 . 1 97 97 VAL CA C 13 59.234 . . . . . . . . 156 V CA . 53294 1 369 . 1 . 1 97 97 VAL CB C 13 35.273 . . . . . . . . 156 V CB . 53294 1 370 . 1 . 1 97 97 VAL N N 15 127.276 . . . . . . . . 156 V N . 53294 1 371 . 1 . 1 98 98 LYS H H 1 9.356 . . . . . . . . 157 K HN . 53294 1 372 . 1 . 1 98 98 LYS CA C 13 53.729 . . . . . . . . 157 K CA . 53294 1 373 . 1 . 1 98 98 LYS CB C 13 35.219 . . . . . . . . 157 K CB . 53294 1 374 . 1 . 1 98 98 LYS N N 15 124.911 . . . . . . . . 157 K N . 53294 1 375 . 1 . 1 99 99 ILE H H 1 8.596 . . . . . . . . 158 I HN . 53294 1 376 . 1 . 1 99 99 ILE CA C 13 58.631 . . . . . . . . 158 I CA . 53294 1 377 . 1 . 1 99 99 ILE CB C 13 42.790 . . . . . . . . 158 I CB . 53294 1 378 . 1 . 1 99 99 ILE N N 15 115.821 . . . . . . . . 158 I N . 53294 1 379 . 1 . 1 100 100 SER H H 1 8.566 . . . . . . . . 159 S HN . 53294 1 380 . 1 . 1 100 100 SER CA C 13 57.859 . . . . . . . . 159 S CA . 53294 1 381 . 1 . 1 100 100 SER CB C 13 62.511 . . . . . . . . 159 S CB . 53294 1 382 . 1 . 1 100 100 SER N N 15 114.605 . . . . . . . . 159 S N . 53294 1 383 . 1 . 1 101 101 SER H H 1 7.909 . . . . . . . . 160 S HN . 53294 1 384 . 1 . 1 101 101 SER CA C 13 57.832 . . . . . . . . 160 S CA . 53294 1 385 . 1 . 1 101 101 SER CB C 13 63.922 . . . . . . . . 160 S CB . 53294 1 386 . 1 . 1 101 101 SER N N 15 118.250 . . . . . . . . 160 S N . 53294 1 387 . 1 . 1 102 102 GLU H H 1 8.072 . . . . . . . . 161 E HN . 53294 1 388 . 1 . 1 102 102 GLU CA C 13 59.730 . . . . . . . . 161 E CA . 53294 1 389 . 1 . 1 102 102 GLU CB C 13 29.157 . . . . . . . . 161 E CB . 53294 1 390 . 1 . 1 102 102 GLU N N 15 124.640 . . . . . . . . 161 E N . 53294 1 391 . 1 . 1 103 103 LYS H H 1 9.069 . . . . . . . . 162 K HN . 53294 1 392 . 1 . 1 103 103 LYS CA C 13 54.539 . . . . . . . . 162 K CA . 53294 1 393 . 1 . 1 103 103 LYS CB C 13 30.658 . . . . . . . . 162 K CB . 53294 1 394 . 1 . 1 103 103 LYS N N 15 115.721 . . . . . . . . 162 K N . 53294 1 395 . 1 . 1 104 104 VAL H H 1 7.315 . . . . . . . . 163 V HN . 53294 1 396 . 1 . 1 104 104 VAL CA C 13 62.755 . . . . . . . . 163 V CA . 53294 1 397 . 1 . 1 104 104 VAL CB C 13 31.310 . . . . . . . . 163 V CB . 53294 1 398 . 1 . 1 104 104 VAL N N 15 120.335 . . . . . . . . 163 V N . 53294 1 399 . 1 . 1 105 105 THR H H 1 8.612 . . . . . . . . 164 T HN . 53294 1 400 . 1 . 1 105 105 THR CA C 13 61.007 . . . . . . . . 164 T CA . 53294 1 401 . 1 . 1 105 105 THR CB C 13 69.609 . . . . . . . . 164 T CB . 53294 1 402 . 1 . 1 105 105 THR N N 15 118.456 . . . . . . . . 164 T N . 53294 1 403 . 1 . 1 106 106 THR H H 1 8.003 . . . . . . . . 165 T HN . 53294 1 404 . 1 . 1 106 106 THR CA C 13 62.313 . . . . . . . . 165 T CA . 53294 1 405 . 1 . 1 106 106 THR CB C 13 70.645 . . . . . . . . 165 T CB . 53294 1 406 . 1 . 1 106 106 THR N N 15 119.858 . . . . . . . . 165 T N . 53294 1 407 . 1 . 1 107 107 VAL H H 1 7.915 . . . . . . . . 166 V HN . 53294 1 408 . 1 . 1 107 107 VAL CA C 13 59.143 . . . . . . . . 166 V CA . 53294 1 409 . 1 . 1 107 107 VAL CB C 13 33.713 . . . . . . . . 166 V CB . 53294 1 410 . 1 . 1 107 107 VAL N N 15 118.975 . . . . . . . . 166 V N . 53294 1 411 . 1 . 1 108 108 ALA H H 1 8.417 . . . . . . . . 167 A HN . 53294 1 412 . 1 . 1 108 108 ALA CA C 13 51.292 . . . . . . . . 167 A CA . 53294 1 413 . 1 . 1 108 108 ALA CB C 13 19.792 . . . . . . . . 167 A CB . 53294 1 414 . 1 . 1 108 108 ALA N N 15 127.187 . . . . . . . . 167 A N . 53294 1 415 . 1 . 1 109 109 GLU H H 1 8.779 . . . . . . . . 168 E HN . 53294 1 416 . 1 . 1 109 109 GLU CA C 13 54.215 . . . . . . . . 168 E CA . 53294 1 417 . 1 . 1 109 109 GLU CB C 13 31.282 . . . . . . . . 168 E CB . 53294 1 418 . 1 . 1 109 109 GLU N N 15 120.265 . . . . . . . . 168 E N . 53294 1 419 . 1 . 1 110 110 PHE H H 1 9.089 . . . . . . . . 169 F HN . 53294 1 420 . 1 . 1 110 110 PHE CA C 13 57.941 . . . . . . . . 169 F CA . 53294 1 421 . 1 . 1 110 110 PHE CB C 13 39.166 . . . . . . . . 169 F CB . 53294 1 422 . 1 . 1 110 110 PHE N N 15 124.341 . . . . . . . . 169 F N . 53294 1 423 . 1 . 1 111 111 GLY H H 1 8.702 . . . . . . . . 170 G HN . 53294 1 424 . 1 . 1 111 111 GLY CA C 13 42.388 . . . . . . . . 170 G CA . 53294 1 425 . 1 . 1 111 111 GLY N N 15 109.284 . . . . . . . . 170 G N . 53294 1 426 . 1 . 1 112 112 ASP H H 1 8.066 . . . . . . . . 171 D HN . 53294 1 427 . 1 . 1 112 112 ASP CA C 13 51.717 . . . . . . . . 171 D CA . 53294 1 428 . 1 . 1 112 112 ASP CB C 13 40.013 . . . . . . . . 171 D CB . 53294 1 429 . 1 . 1 112 112 ASP N N 15 115.743 . . . . . . . . 171 D N . 53294 1 430 . 1 . 1 113 113 SER H H 1 8.425 . . . . . . . . 172 S HN . 53294 1 431 . 1 . 1 113 113 SER CA C 13 60.299 . . . . . . . . 172 S CA . 53294 1 432 . 1 . 1 113 113 SER CB C 13 62.260 . . . . . . . . 172 S CB . 53294 1 433 . 1 . 1 113 113 SER N N 15 120.123 . . . . . . . . 172 S N . 53294 1 434 . 1 . 1 114 114 SER H H 1 8.834 . . . . . . . . 173 S HN . 53294 1 435 . 1 . 1 114 114 SER CA C 13 60.391 . . . . . . . . 173 S CA . 53294 1 436 . 1 . 1 114 114 SER CB C 13 62.518 . . . . . . . . 173 S CB . 53294 1 437 . 1 . 1 114 114 SER N N 15 119.621 . . . . . . . . 173 S N . 53294 1 438 . 1 . 1 115 115 LYS H H 1 7.116 . . . . . . . . 174 K HN . 53294 1 439 . 1 . 1 115 115 LYS CA C 13 54.673 . . . . . . . . 174 K CA . 53294 1 440 . 1 . 1 115 115 LYS CB C 13 31.603 . . . . . . . . 174 K CB . 53294 1 441 . 1 . 1 115 115 LYS N N 15 120.317 . . . . . . . . 174 K N . 53294 1 442 . 1 . 1 116 116 LEU H H 1 6.757 . . . . . . . . 175 L HN . 53294 1 443 . 1 . 1 116 116 LEU CA C 13 54.555 . . . . . . . . 175 L CA . 53294 1 444 . 1 . 1 116 116 LEU CB C 13 43.276 . . . . . . . . 175 L CB . 53294 1 445 . 1 . 1 116 116 LEU N N 15 119.362 . . . . . . . . 175 L N . 53294 1 446 . 1 . 1 117 117 THR H H 1 8.657 . . . . . . . . 176 T HN . 53294 1 447 . 1 . 1 117 117 THR CA C 13 59.713 . . . . . . . . 176 T CA . 53294 1 448 . 1 . 1 117 117 THR CB C 13 71.276 . . . . . . . . 176 T CB . 53294 1 449 . 1 . 1 117 117 THR N N 15 114.108 . . . . . . . . 176 T N . 53294 1 450 . 1 . 1 118 118 VAL H H 1 8.403 . . . . . . . . 177 V HN . 53294 1 451 . 1 . 1 118 118 VAL CA C 13 64.831 . . . . . . . . 177 V CA . 53294 1 452 . 1 . 1 118 118 VAL CB C 13 30.444 . . . . . . . . 177 V CB . 53294 1 453 . 1 . 1 118 118 VAL N N 15 122.752 . . . . . . . . 177 V N . 53294 1 454 . 1 . 1 119 119 GLY H H 1 9.318 . . . . . . . . 178 G HN . 53294 1 455 . 1 . 1 119 119 GLY CA C 13 44.079 . . . . . . . . 178 G CA . 53294 1 456 . 1 . 1 119 119 GLY N N 15 115.516 . . . . . . . . 178 G N . 53294 1 457 . 1 . 1 120 120 GLU H H 1 7.722 . . . . . . . . 179 E HN . 53294 1 458 . 1 . 1 120 120 GLU CA C 13 56.065 . . . . . . . . 179 E CA . 53294 1 459 . 1 . 1 120 120 GLU CB C 13 30.320 . . . . . . . . 179 E CB . 53294 1 460 . 1 . 1 120 120 GLU N N 15 120.540 . . . . . . . . 179 E N . 53294 1 461 . 1 . 1 121 121 THR H H 1 8.414 . . . . . . . . 180 T HN . 53294 1 462 . 1 . 1 121 121 THR CA C 13 64.385 . . . . . . . . 180 T CA . 53294 1 463 . 1 . 1 121 121 THR CB C 13 68.966 . . . . . . . . 180 T CB . 53294 1 464 . 1 . 1 121 121 THR N N 15 119.187 . . . . . . . . 180 T N . 53294 1 465 . 1 . 1 122 122 ALA H H 1 8.505 . . . . . . . . 181 A HN . 53294 1 466 . 1 . 1 122 122 ALA CA C 13 49.922 . . . . . . . . 181 A CA . 53294 1 467 . 1 . 1 122 122 ALA CB C 13 20.852 . . . . . . . . 181 A CB . 53294 1 468 . 1 . 1 122 122 ALA N N 15 128.466 . . . . . . . . 181 A N . 53294 1 469 . 1 . 1 123 123 ILE H H 1 8.800 . . . . . . . . 182 I HN . 53294 1 470 . 1 . 1 123 123 ILE CA C 13 59.468 . . . . . . . . 182 I CA . 53294 1 471 . 1 . 1 123 123 ILE CB C 13 39.493 . . . . . . . . 182 I CB . 53294 1 472 . 1 . 1 123 123 ILE N N 15 122.460 . . . . . . . . 182 I N . 53294 1 473 . 1 . 1 124 124 ALA H H 1 8.911 . . . . . . . . 183 A HN . 53294 1 474 . 1 . 1 124 124 ALA CA C 13 50.335 . . . . . . . . 183 A CA . 53294 1 475 . 1 . 1 124 124 ALA CB C 13 18.839 . . . . . . . . 183 A CB . 53294 1 476 . 1 . 1 124 124 ALA N N 15 131.050 . . . . . . . . 183 A N . 53294 1 477 . 1 . 1 125 125 ILE H H 1 7.994 . . . . . . . . 184 I HN . 53294 1 478 . 1 . 1 125 125 ILE CA C 13 58.986 . . . . . . . . 184 I CA . 53294 1 479 . 1 . 1 125 125 ILE CB C 13 39.165 . . . . . . . . 184 I CB . 53294 1 480 . 1 . 1 125 125 ILE N N 15 122.205 . . . . . . . . 184 I N . 53294 1 481 . 1 . 1 126 126 GLY H H 1 8.706 . . . . . . . . 185 G HN . 53294 1 482 . 1 . 1 126 126 GLY CA C 13 42.467 . . . . . . . . 185 G CA . 53294 1 483 . 1 . 1 126 126 GLY N N 15 112.437 . . . . . . . . 185 G N . 53294 1 484 . 1 . 1 127 127 SER H H 1 8.146 . . . . . . . . 186 S HN . 53294 1 485 . 1 . 1 127 127 SER CA C 13 55.877 . . . . . . . . 186 S CA . 53294 1 486 . 1 . 1 127 127 SER CB C 13 62.517 . . . . . . . . 186 S CB . 53294 1 487 . 1 . 1 127 127 SER N N 15 114.205 . . . . . . . . 186 S N . 53294 1 488 . 1 . 1 128 128 PRO CA C 13 62.950 . . . . . . . . 187 P CA . 53294 1 489 . 1 . 1 129 129 LEU H H 1 8.075 . . . . . . . . 188 L HN . 53294 1 490 . 1 . 1 129 129 LEU CA C 13 54.272 . . . . . . . . 188 L CA . 53294 1 491 . 1 . 1 129 129 LEU CB C 13 41.667 . . . . . . . . 188 L CB . 53294 1 492 . 1 . 1 129 129 LEU N N 15 122.431 . . . . . . . . 188 L N . 53294 1 493 . 1 . 1 130 130 GLY H H 1 8.278 . . . . . . . . 189 G HN . 53294 1 494 . 1 . 1 130 130 GLY CA C 13 45.396 . . . . . . . . 189 G CA . 53294 1 495 . 1 . 1 130 130 GLY N N 15 108.989 . . . . . . . . 189 G N . 53294 1 496 . 1 . 1 131 131 SER H H 1 8.368 . . . . . . . . 190 S HN . 53294 1 497 . 1 . 1 131 131 SER CA C 13 58.521 . . . . . . . . 190 S CA . 53294 1 498 . 1 . 1 131 131 SER CB C 13 62.821 . . . . . . . . 190 S CB . 53294 1 499 . 1 . 1 131 131 SER N N 15 116.709 . . . . . . . . 190 S N . 53294 1 500 . 1 . 1 132 132 GLU H H 1 8.264 . . . . . . . . 191 E HN . 53294 1 501 . 1 . 1 132 132 GLU CA C 13 56.082 . . . . . . . . 191 E CA . 53294 1 502 . 1 . 1 132 132 GLU CB C 13 29.076 . . . . . . . . 191 E CB . 53294 1 503 . 1 . 1 132 132 GLU N N 15 120.868 . . . . . . . . 191 E N . 53294 1 504 . 1 . 1 133 133 TYR H H 1 8.023 . . . . . . . . 192 Y HN . 53294 1 505 . 1 . 1 133 133 TYR CA C 13 57.720 . . . . . . . . 192 Y CA . 53294 1 506 . 1 . 1 133 133 TYR N N 15 118.915 . . . . . . . . 192 Y N . 53294 1 507 . 1 . 1 134 134 ALA H H 1 7.908 . . . . . . . . 193 A HN . 53294 1 508 . 1 . 1 134 134 ALA CA C 13 51.770 . . . . . . . . 193 A CA . 53294 1 509 . 1 . 1 134 134 ALA CB C 13 19.198 . . . . . . . . 193 A CB . 53294 1 510 . 1 . 1 134 134 ALA N N 15 123.146 . . . . . . . . 193 A N . 53294 1 511 . 1 . 1 135 135 ASN H H 1 8.132 . . . . . . . . 194 N HN . 53294 1 512 . 1 . 1 135 135 ASN CA C 13 53.622 . . . . . . . . 194 N CA . 53294 1 513 . 1 . 1 135 135 ASN CB C 13 38.591 . . . . . . . . 194 N CB . 53294 1 514 . 1 . 1 135 135 ASN N N 15 115.911 . . . . . . . . 194 N N . 53294 1 515 . 1 . 1 136 136 THR H H 1 7.916 . . . . . . . . 195 T HN . 53294 1 516 . 1 . 1 136 136 THR CA C 13 61.996 . . . . . . . . 195 T CA . 53294 1 517 . 1 . 1 136 136 THR CB C 13 69.002 . . . . . . . . 195 T CB . 53294 1 518 . 1 . 1 136 136 THR N N 15 113.988 . . . . . . . . 195 T N . 53294 1 519 . 1 . 1 137 137 VAL H H 1 8.048 . . . . . . . . 196 V HN . 53294 1 520 . 1 . 1 137 137 VAL CA C 13 61.353 . . . . . . . . 196 V CA . 53294 1 521 . 1 . 1 137 137 VAL CB C 13 33.877 . . . . . . . . 196 V CB . 53294 1 522 . 1 . 1 137 137 VAL N N 15 123.430 . . . . . . . . 196 V N . 53294 1 523 . 1 . 1 138 138 THR H H 1 8.660 . . . . . . . . 197 T HN . 53294 1 524 . 1 . 1 138 138 THR CA C 13 60.595 . . . . . . . . 197 T CA . 53294 1 525 . 1 . 1 138 138 THR CB C 13 69.836 . . . . . . . . 197 T CB . 53294 1 526 . 1 . 1 138 138 THR N N 15 122.224 . . . . . . . . 197 T N . 53294 1 527 . 1 . 1 139 139 GLN H H 1 9.049 . . . . . . . . 198 Q HN . 53294 1 528 . 1 . 1 139 139 GLN CA C 13 55.169 . . . . . . . . 198 Q CA . 53294 1 529 . 1 . 1 139 139 GLN CB C 13 29.404 . . . . . . . . 198 Q CB . 53294 1 530 . 1 . 1 139 139 GLN N N 15 127.367 . . . . . . . . 198 Q N . 53294 1 531 . 1 . 1 140 140 GLY H H 1 8.372 . . . . . . . . 199 G HN . 53294 1 532 . 1 . 1 140 140 GLY CA C 13 44.919 . . . . . . . . 199 G CA . 53294 1 533 . 1 . 1 140 140 GLY N N 15 114.930 . . . . . . . . 199 G N . 53294 1 534 . 1 . 1 141 141 ILE H H 1 9.402 . . . . . . . . 200 I HN . 53294 1 535 . 1 . 1 141 141 ILE CA C 13 58.615 . . . . . . . . 200 I CA . 53294 1 536 . 1 . 1 141 141 ILE CB C 13 42.015 . . . . . . . . 200 I CB . 53294 1 537 . 1 . 1 141 141 ILE N N 15 120.917 . . . . . . . . 200 I N . 53294 1 538 . 1 . 1 142 142 VAL H H 1 8.344 . . . . . . . . 201 V HN . 53294 1 539 . 1 . 1 142 142 VAL CA C 13 62.898 . . . . . . . . 201 V CA . 53294 1 540 . 1 . 1 142 142 VAL CB C 13 31.236 . . . . . . . . 201 V CB . 53294 1 541 . 1 . 1 142 142 VAL N N 15 120.365 . . . . . . . . 201 V N . 53294 1 542 . 1 . 1 143 143 SER H H 1 9.439 . . . . . . . . 202 S HN . 53294 1 543 . 1 . 1 143 143 SER CA C 13 58.138 . . . . . . . . 202 S CA . 53294 1 544 . 1 . 1 143 143 SER CB C 13 63.991 . . . . . . . . 202 S CB . 53294 1 545 . 1 . 1 143 143 SER N N 15 125.338 . . . . . . . . 202 S N . 53294 1 546 . 1 . 1 144 144 SER H H 1 7.793 . . . . . . . . 203 S HN . 53294 1 547 . 1 . 1 144 144 SER CA C 13 58.842 . . . . . . . . 203 S CA . 53294 1 548 . 1 . 1 144 144 SER N N 15 114.005 . . . . . . . . 203 S N . 53294 1 549 . 1 . 1 145 145 LEU H H 1 8.679 . . . . . . . . 204 L HN . 53294 1 550 . 1 . 1 145 145 LEU CA C 13 53.986 . . . . . . . . 204 L CA . 53294 1 551 . 1 . 1 145 145 LEU CB C 13 42.488 . . . . . . . . 204 L CB . 53294 1 552 . 1 . 1 145 145 LEU N N 15 124.186 . . . . . . . . 204 L N . 53294 1 553 . 1 . 1 146 146 ASN CA C 13 53.093 . . . . . . . . 205 N CA . 53294 1 554 . 1 . 1 147 147 ARG H H 1 8.539 . . . . . . . . 206 R HN . 53294 1 555 . 1 . 1 147 147 ARG CA C 13 54.985 . . . . . . . . 206 R CA . 53294 1 556 . 1 . 1 147 147 ARG CB C 13 29.831 . . . . . . . . 206 R CB . 53294 1 557 . 1 . 1 147 147 ARG N N 15 121.366 . . . . . . . . 206 R N . 53294 1 558 . 1 . 1 148 148 ASN H H 1 8.661 . . . . . . . . 207 N HN . 53294 1 559 . 1 . 1 148 148 ASN CA C 13 53.589 . . . . . . . . 207 N CA . 53294 1 560 . 1 . 1 148 148 ASN CB C 13 38.085 . . . . . . . . 207 N CB . 53294 1 561 . 1 . 1 148 148 ASN N N 15 123.315 . . . . . . . . 207 N N . 53294 1 562 . 1 . 1 149 149 VAL H H 1 8.490 . . . . . . . . 208 V HN . 53294 1 563 . 1 . 1 149 149 VAL CA C 13 59.938 . . . . . . . . 208 V CA . 53294 1 564 . 1 . 1 149 149 VAL CB C 13 33.790 . . . . . . . . 208 V CB . 53294 1 565 . 1 . 1 149 149 VAL N N 15 120.304 . . . . . . . . 208 V N . 53294 1 566 . 1 . 1 150 150 SER H H 1 8.380 . . . . . . . . 209 S HN . 53294 1 567 . 1 . 1 150 150 SER CA C 13 56.969 . . . . . . . . 209 S CA . 53294 1 568 . 1 . 1 150 150 SER CB C 13 64.502 . . . . . . . . 209 S CB . 53294 1 569 . 1 . 1 150 150 SER N N 15 115.892 . . . . . . . . 209 S N . 53294 1 570 . 1 . 1 151 151 LEU H H 1 8.698 . . . . . . . . 210 L HN . 53294 1 571 . 1 . 1 151 151 LEU CA C 13 53.827 . . . . . . . . 210 L CA . 53294 1 572 . 1 . 1 151 151 LEU CB C 13 43.094 . . . . . . . . 210 L CB . 53294 1 573 . 1 . 1 151 151 LEU N N 15 125.009 . . . . . . . . 210 L N . 53294 1 574 . 1 . 1 152 152 LYS H H 1 8.205 . . . . . . . . 211 K HN . 53294 1 575 . 1 . 1 152 152 LYS CA C 13 55.272 . . . . . . . . 211 K CA . 53294 1 576 . 1 . 1 152 152 LYS CB C 13 32.202 . . . . . . . . 211 K CB . 53294 1 577 . 1 . 1 152 152 LYS N N 15 123.342 . . . . . . . . 211 K N . 53294 1 578 . 1 . 1 153 153 SER H H 1 8.482 . . . . . . . . 212 S HN . 53294 1 579 . 1 . 1 153 153 SER CA C 13 57.114 . . . . . . . . 212 S CA . 53294 1 580 . 1 . 1 153 153 SER CB C 13 63.896 . . . . . . . . 212 S CB . 53294 1 581 . 1 . 1 153 153 SER N N 15 118.817 . . . . . . . . 212 S N . 53294 1 582 . 1 . 1 154 154 GLU H H 1 8.772 . . . . . . . . 213 E HN . 53294 1 583 . 1 . 1 154 154 GLU CA C 13 57.722 . . . . . . . . 213 E CA . 53294 1 584 . 1 . 1 154 154 GLU CB C 13 28.729 . . . . . . . . 213 E CB . 53294 1 585 . 1 . 1 154 154 GLU N N 15 122.319 . . . . . . . . 213 E N . 53294 1 586 . 1 . 1 155 155 ASP H H 1 8.077 . . . . . . . . 214 D HN . 53294 1 587 . 1 . 1 155 155 ASP CA C 13 53.444 . . . . . . . . 214 D CA . 53294 1 588 . 1 . 1 155 155 ASP CB C 13 39.771 . . . . . . . . 214 D CB . 53294 1 589 . 1 . 1 155 155 ASP N N 15 116.725 . . . . . . . . 214 D N . 53294 1 590 . 1 . 1 156 156 GLY H H 1 7.947 . . . . . . . . 215 G HN . 53294 1 591 . 1 . 1 156 156 GLY CA C 13 45.102 . . . . . . . . 215 G CA . 53294 1 592 . 1 . 1 156 156 GLY N N 15 107.640 . . . . . . . . 215 G N . 53294 1 593 . 1 . 1 157 157 GLN H H 1 7.827 . . . . . . . . 216 Q HN . 53294 1 594 . 1 . 1 157 157 GLN CA C 13 55.160 . . . . . . . . 216 Q CA . 53294 1 595 . 1 . 1 157 157 GLN CB C 13 29.027 . . . . . . . . 216 Q CB . 53294 1 596 . 1 . 1 157 157 GLN N N 15 119.581 . . . . . . . . 216 Q N . 53294 1 597 . 1 . 1 158 158 ALA H H 1 8.339 . . . . . . . . 217 A HN . 53294 1 598 . 1 . 1 158 158 ALA CA C 13 51.485 . . . . . . . . 217 A CA . 53294 1 599 . 1 . 1 158 158 ALA CB C 13 18.677 . . . . . . . . 217 A CB . 53294 1 600 . 1 . 1 158 158 ALA N N 15 125.405 . . . . . . . . 217 A N . 53294 1 601 . 1 . 1 159 159 ILE H H 1 8.440 . . . . . . . . 218 I HN . 53294 1 602 . 1 . 1 159 159 ILE CA C 13 59.457 . . . . . . . . 218 I CA . 53294 1 603 . 1 . 1 159 159 ILE CB C 13 38.933 . . . . . . . . 218 I CB . 53294 1 604 . 1 . 1 159 159 ILE N N 15 122.623 . . . . . . . . 218 I N . 53294 1 605 . 1 . 1 160 160 SER H H 1 8.492 . . . . . . . . 219 S HN . 53294 1 606 . 1 . 1 160 160 SER CA C 13 57.822 . . . . . . . . 219 S CA . 53294 1 607 . 1 . 1 160 160 SER CB C 13 63.336 . . . . . . . . 219 S CB . 53294 1 608 . 1 . 1 160 160 SER N N 15 121.162 . . . . . . . . 219 S N . 53294 1 609 . 1 . 1 161 161 THR H H 1 8.429 . . . . . . . . 220 T HN . 53294 1 610 . 1 . 1 161 161 THR CA C 13 59.999 . . . . . . . . 220 T CA . 53294 1 611 . 1 . 1 161 161 THR CB C 13 69.382 . . . . . . . . 220 T CB . 53294 1 612 . 1 . 1 161 161 THR N N 15 119.761 . . . . . . . . 220 T N . 53294 1 613 . 1 . 1 162 162 LYS H H 1 8.146 . . . . . . . . 221 K HN . 53294 1 614 . 1 . 1 162 162 LYS CA C 13 54.742 . . . . . . . . 221 K CA . 53294 1 615 . 1 . 1 162 162 LYS CB C 13 33.830 . . . . . . . . 221 K CB . 53294 1 616 . 1 . 1 162 162 LYS N N 15 122.802 . . . . . . . . 221 K N . 53294 1 617 . 1 . 1 163 163 ALA H H 1 8.450 . . . . . . . . 222 A HN . 53294 1 618 . 1 . 1 163 163 ALA CA C 13 50.694 . . . . . . . . 222 A CA . 53294 1 619 . 1 . 1 163 163 ALA CB C 13 22.803 . . . . . . . . 222 A CB . 53294 1 620 . 1 . 1 163 163 ALA N N 15 120.677 . . . . . . . . 222 A N . 53294 1 621 . 1 . 1 164 164 ILE H H 1 8.749 . . . . . . . . 223 I HN . 53294 1 622 . 1 . 1 164 164 ILE CA C 13 61.220 . . . . . . . . 223 I CA . 53294 1 623 . 1 . 1 164 164 ILE CB C 13 39.718 . . . . . . . . 223 I CB . 53294 1 624 . 1 . 1 164 164 ILE N N 15 118.514 . . . . . . . . 223 I N . 53294 1 625 . 1 . 1 165 165 GLN H H 1 8.506 . . . . . . . . 224 Q HN . 53294 1 626 . 1 . 1 165 165 GLN CA C 13 53.474 . . . . . . . . 224 Q CA . 53294 1 627 . 1 . 1 165 165 GLN CB C 13 32.444 . . . . . . . . 224 Q CB . 53294 1 628 . 1 . 1 165 165 GLN N N 15 127.076 . . . . . . . . 224 Q N . 53294 1 629 . 1 . 1 166 166 THR H H 1 8.953 . . . . . . . . 225 T HN . 53294 1 630 . 1 . 1 166 166 THR CA C 13 58.693 . . . . . . . . 225 T CA . 53294 1 631 . 1 . 1 166 166 THR CB C 13 70.499 . . . . . . . . 225 T CB . 53294 1 632 . 1 . 1 166 166 THR N N 15 118.339 . . . . . . . . 225 T N . 53294 1 633 . 1 . 1 167 167 ASP H H 1 8.627 . . . . . . . . 226 D HN . 53294 1 634 . 1 . 1 167 167 ASP CA C 13 53.126 . . . . . . . . 226 D CA . 53294 1 635 . 1 . 1 167 167 ASP CB C 13 39.240 . . . . . . . . 226 D CB . 53294 1 636 . 1 . 1 167 167 ASP N N 15 119.160 . . . . . . . . 226 D N . 53294 1 637 . 1 . 1 168 168 THR H H 1 7.459 . . . . . . . . 227 T HN . 53294 1 638 . 1 . 1 168 168 THR CA C 13 58.790 . . . . . . . . 227 T CA . 53294 1 639 . 1 . 1 168 168 THR CB C 13 70.199 . . . . . . . . 227 T CB . 53294 1 640 . 1 . 1 168 168 THR N N 15 110.783 . . . . . . . . 227 T N . 53294 1 641 . 1 . 1 169 169 ALA H H 1 8.039 . . . . . . . . 228 A HN . 53294 1 642 . 1 . 1 169 169 ALA CA C 13 51.760 . . . . . . . . 228 A CA . 53294 1 643 . 1 . 1 169 169 ALA CB C 13 18.332 . . . . . . . . 228 A CB . 53294 1 644 . 1 . 1 169 169 ALA N N 15 126.312 . . . . . . . . 228 A N . 53294 1 645 . 1 . 1 170 170 ILE H H 1 8.316 . . . . . . . . 229 I HN . 53294 1 646 . 1 . 1 170 170 ILE CA C 13 58.210 . . . . . . . . 229 I CA . 53294 1 647 . 1 . 1 170 170 ILE CB C 13 37.225 . . . . . . . . 229 I CB . 53294 1 648 . 1 . 1 170 170 ILE N N 15 120.027 . . . . . . . . 229 I N . 53294 1 649 . 1 . 1 171 171 ASN H H 1 8.689 . . . . . . . . 230 N HN . 53294 1 650 . 1 . 1 171 171 ASN CA C 13 51.483 . . . . . . . . 230 N CA . 53294 1 651 . 1 . 1 171 171 ASN CB C 13 37.793 . . . . . . . . 230 N CB . 53294 1 652 . 1 . 1 171 171 ASN N N 15 126.199 . . . . . . . . 230 N N . 53294 1 653 . 1 . 1 172 172 PRO CA C 13 65.233 . . . . . . . . 231 P CA . 53294 1 654 . 1 . 1 173 173 GLY H H 1 8.584 . . . . . . . . 232 G HN . 53294 1 655 . 1 . 1 173 173 GLY CA C 13 45.712 . . . . . . . . 232 G CA . 53294 1 656 . 1 . 1 173 173 GLY N N 15 105.817 . . . . . . . . 232 G N . 53294 1 657 . 1 . 1 174 174 ASN H H 1 7.947 . . . . . . . . 233 N HN . 53294 1 658 . 1 . 1 174 174 ASN CA C 13 52.008 . . . . . . . . 233 N CA . 53294 1 659 . 1 . 1 174 174 ASN CB C 13 38.828 . . . . . . . . 233 N CB . 53294 1 660 . 1 . 1 174 174 ASN N N 15 116.251 . . . . . . . . 233 N N . 53294 1 661 . 1 . 1 175 175 SER H H 1 7.810 . . . . . . . . 234 S HN . 53294 1 662 . 1 . 1 175 175 SER CA C 13 60.293 . . . . . . . . 234 S CA . 53294 1 663 . 1 . 1 175 175 SER CB C 13 63.556 . . . . . . . . 234 S CB . 53294 1 664 . 1 . 1 175 175 SER N N 15 116.418 . . . . . . . . 234 S N . 53294 1 665 . 1 . 1 176 176 GLY H H 1 7.800 . . . . . . . . 235 G HN . 53294 1 666 . 1 . 1 176 176 GLY CA C 13 45.079 . . . . . . . . 235 G CA . 53294 1 667 . 1 . 1 176 176 GLY N N 15 120.460 . . . . . . . . 235 G N . 53294 1 668 . 1 . 1 177 177 GLY H H 1 7.470 . . . . . . . . 236 G HN . 53294 1 669 . 1 . 1 177 177 GLY CA C 13 42.701 . . . . . . . . 236 G CA . 53294 1 670 . 1 . 1 177 177 GLY N N 15 99.712 . . . . . . . . 236 G N . 53294 1 671 . 1 . 1 178 178 PRO CA C 13 62.155 . . . . . . . . 237 P CA . 53294 1 672 . 1 . 1 179 179 LEU H H 1 8.276 . . . . . . . . 238 L HN . 53294 1 673 . 1 . 1 179 179 LEU CA C 13 52.633 . . . . . . . . 238 L CA . 53294 1 674 . 1 . 1 179 179 LEU CB C 13 43.938 . . . . . . . . 238 L CB . 53294 1 675 . 1 . 1 179 179 LEU N N 15 120.763 . . . . . . . . 238 L N . 53294 1 676 . 1 . 1 180 180 ILE H H 1 9.713 . . . . . . . . 239 I HN . 53294 1 677 . 1 . 1 180 180 ILE CA C 13 58.628 . . . . . . . . 239 I CA . 53294 1 678 . 1 . 1 180 180 ILE CB C 13 40.578 . . . . . . . . 239 I CB . 53294 1 679 . 1 . 1 180 180 ILE N N 15 120.928 . . . . . . . . 239 I N . 53294 1 680 . 1 . 1 181 181 ASN H H 1 8.113 . . . . . . . . 240 N HN . 53294 1 681 . 1 . 1 181 181 ASN CA C 13 49.932 . . . . . . . . 240 N CA . 53294 1 682 . 1 . 1 181 181 ASN CB C 13 39.402 . . . . . . . . 240 N CB . 53294 1 683 . 1 . 1 181 181 ASN N N 15 116.712 . . . . . . . . 240 N N . 53294 1 684 . 1 . 1 182 182 ILE H H 1 8.618 . . . . . . . . 241 I HN . 53294 1 685 . 1 . 1 182 182 ILE CA C 13 60.951 . . . . . . . . 241 I CA . 53294 1 686 . 1 . 1 182 182 ILE CB C 13 38.365 . . . . . . . . 241 I CB . 53294 1 687 . 1 . 1 182 182 ILE N N 15 115.146 . . . . . . . . 241 I N . 53294 1 688 . 1 . 1 183 183 GLN H H 1 7.248 . . . . . . . . 242 Q HN . 53294 1 689 . 1 . 1 183 183 GLN CA C 13 55.299 . . . . . . . . 242 Q CA . 53294 1 690 . 1 . 1 183 183 GLN CB C 13 27.841 . . . . . . . . 242 Q CB . 53294 1 691 . 1 . 1 183 183 GLN N N 15 116.853 . . . . . . . . 242 Q N . 53294 1 692 . 1 . 1 184 184 GLY H H 1 8.275 . . . . . . . . 243 G HN . 53294 1 693 . 1 . 1 184 184 GLY CA C 13 45.860 . . . . . . . . 243 G CA . 53294 1 694 . 1 . 1 184 184 GLY N N 15 107.304 . . . . . . . . 243 G N . 53294 1 695 . 1 . 1 185 185 GLN H H 1 7.797 . . . . . . . . 244 Q HN . 53294 1 696 . 1 . 1 185 185 GLN CA C 13 53.061 . . . . . . . . 244 Q CA . 53294 1 697 . 1 . 1 185 185 GLN CB C 13 29.024 . . . . . . . . 244 Q CB . 53294 1 698 . 1 . 1 185 185 GLN N N 15 115.063 . . . . . . . . 244 Q N . 53294 1 699 . 1 . 1 186 186 VAL H H 1 9.248 . . . . . . . . 245 V HN . 53294 1 700 . 1 . 1 186 186 VAL CA C 13 63.197 . . . . . . . . 245 V CA . 53294 1 701 . 1 . 1 186 186 VAL CB C 13 30.767 . . . . . . . . 245 V CB . 53294 1 702 . 1 . 1 186 186 VAL N N 15 120.107 . . . . . . . . 245 V N . 53294 1 703 . 1 . 1 187 187 ILE H H 1 9.347 . . . . . . . . 246 I HN . 53294 1 704 . 1 . 1 187 187 ILE CA C 13 60.963 . . . . . . . . 246 I CA . 53294 1 705 . 1 . 1 187 187 ILE CB C 13 38.362 . . . . . . . . 246 I CB . 53294 1 706 . 1 . 1 187 187 ILE N N 15 121.412 . . . . . . . . 246 I N . 53294 1 707 . 1 . 1 188 188 GLY H H 1 8.048 . . . . . . . . 247 G HN . 53294 1 708 . 1 . 1 188 188 GLY CA C 13 45.269 . . . . . . . . 247 G CA . 53294 1 709 . 1 . 1 188 188 GLY N N 15 108.373 . . . . . . . . 247 G N . 53294 1 710 . 1 . 1 189 189 ILE H H 1 8.729 . . . . . . . . 248 I HN . 53294 1 711 . 1 . 1 189 189 ILE CA C 13 57.567 . . . . . . . . 248 I CA . 53294 1 712 . 1 . 1 189 189 ILE CB C 13 37.455 . . . . . . . . 248 I CB . 53294 1 713 . 1 . 1 189 189 ILE N N 15 121.149 . . . . . . . . 248 I N . 53294 1 714 . 1 . 1 190 190 THR H H 1 8.378 . . . . . . . . 249 T HN . 53294 1 715 . 1 . 1 190 190 THR CA C 13 62.764 . . . . . . . . 249 T CA . 53294 1 716 . 1 . 1 190 190 THR CB C 13 70.388 . . . . . . . . 249 T CB . 53294 1 717 . 1 . 1 190 190 THR N N 15 118.060 . . . . . . . . 249 T N . 53294 1 718 . 1 . 1 191 191 SER H H 1 7.705 . . . . . . . . 250 S HN . 53294 1 719 . 1 . 1 191 191 SER CA C 13 57.540 . . . . . . . . 250 S CA . 53294 1 720 . 1 . 1 191 191 SER CB C 13 63.603 . . . . . . . . 250 S CB . 53294 1 721 . 1 . 1 191 191 SER N N 15 108.999 . . . . . . . . 250 S N . 53294 1 722 . 1 . 1 192 192 SER H H 1 9.184 . . . . . . . . 251 S HN . 53294 1 723 . 1 . 1 192 192 SER CA C 13 59.375 . . . . . . . . 251 S CA . 53294 1 724 . 1 . 1 192 192 SER CB C 13 62.625 . . . . . . . . 251 S CB . 53294 1 725 . 1 . 1 192 192 SER N N 15 123.903 . . . . . . . . 251 S N . 53294 1 726 . 1 . 1 193 193 LYS H H 1 7.909 . . . . . . . . 252 K HN . 53294 1 727 . 1 . 1 193 193 LYS CA C 13 54.878 . . . . . . . . 252 K CA . 53294 1 728 . 1 . 1 193 193 LYS CB C 13 31.831 . . . . . . . . 252 K CB . 53294 1 729 . 1 . 1 193 193 LYS N N 15 120.766 . . . . . . . . 252 K N . 53294 1 730 . 1 . 1 194 194 ILE H H 1 6.841 . . . . . . . . 253 I HN . 53294 1 731 . 1 . 1 194 194 ILE CA C 13 61.478 . . . . . . . . 253 I CA . 53294 1 732 . 1 . 1 194 194 ILE N N 15 118.136 . . . . . . . . 253 I N . 53294 1 733 . 1 . 1 195 195 ALA H H 1 8.105 . . . . . . . . 254 A HN . 53294 1 734 . 1 . 1 195 195 ALA CA C 13 51.152 . . . . . . . . 254 A CA . 53294 1 735 . 1 . 1 195 195 ALA CB C 13 20.611 . . . . . . . . 254 A CB . 53294 1 736 . 1 . 1 195 195 ALA N N 15 125.617 . . . . . . . . 254 A N . 53294 1 737 . 1 . 1 196 196 THR H H 1 7.824 . . . . . . . . 255 T HN . 53294 1 738 . 1 . 1 196 196 THR CA C 13 61.479 . . . . . . . . 255 T CA . 53294 1 739 . 1 . 1 196 196 THR CB C 13 69.337 . . . . . . . . 255 T CB . 53294 1 740 . 1 . 1 196 196 THR N N 15 109.994 . . . . . . . . 255 T N . 53294 1 741 . 1 . 1 197 197 ASN H H 1 8.399 . . . . . . . . 256 N HN . 53294 1 742 . 1 . 1 197 197 ASN CA C 13 52.975 . . . . . . . . 256 N CA . 53294 1 743 . 1 . 1 197 197 ASN CB C 13 38.109 . . . . . . . . 256 N CB . 53294 1 744 . 1 . 1 197 197 ASN N N 15 119.753 . . . . . . . . 256 N N . 53294 1 745 . 1 . 1 198 198 GLY H H 1 8.333 . . . . . . . . 257 G HN . 53294 1 746 . 1 . 1 198 198 GLY CA C 13 45.030 . . . . . . . . 257 G CA . 53294 1 747 . 1 . 1 198 198 GLY N N 15 108.951 . . . . . . . . 257 G N . 53294 1 748 . 1 . 1 199 199 GLY H H 1 8.127 . . . . . . . . 258 G HN . 53294 1 749 . 1 . 1 199 199 GLY CA C 13 44.882 . . . . . . . . 258 G CA . 53294 1 750 . 1 . 1 199 199 GLY N N 15 108.288 . . . . . . . . 258 G N . 53294 1 751 . 1 . 1 200 200 THR H H 1 7.989 . . . . . . . . 259 T HN . 53294 1 752 . 1 . 1 200 200 THR CA C 13 61.573 . . . . . . . . 259 T CA . 53294 1 753 . 1 . 1 200 200 THR CB C 13 69.456 . . . . . . . . 259 T CB . 53294 1 754 . 1 . 1 200 200 THR N N 15 113.229 . . . . . . . . 259 T N . 53294 1 755 . 1 . 1 201 201 SER H H 1 8.390 . . . . . . . . 260 S HN . 53294 1 756 . 1 . 1 201 201 SER CA C 13 58.324 . . . . . . . . 260 S CA . 53294 1 757 . 1 . 1 201 201 SER CB C 13 63.029 . . . . . . . . 260 S CB . 53294 1 758 . 1 . 1 201 201 SER N N 15 117.668 . . . . . . . . 260 S N . 53294 1 759 . 1 . 1 202 202 VAL H H 1 8.066 . . . . . . . . 261 V HN . 53294 1 760 . 1 . 1 202 202 VAL CA C 13 61.450 . . . . . . . . 261 V CA . 53294 1 761 . 1 . 1 202 202 VAL CB C 13 31.875 . . . . . . . . 261 V CB . 53294 1 762 . 1 . 1 202 202 VAL N N 15 119.986 . . . . . . . . 261 V N . 53294 1 763 . 1 . 1 203 203 GLU H H 1 8.194 . . . . . . . . 262 E HN . 53294 1 764 . 1 . 1 203 203 GLU CA C 13 56.670 . . . . . . . . 262 E CA . 53294 1 765 . 1 . 1 203 203 GLU CB C 13 29.445 . . . . . . . . 262 E CB . 53294 1 766 . 1 . 1 203 203 GLU N N 15 122.922 . . . . . . . . 262 E N . 53294 1 767 . 1 . 1 204 204 GLY H H 1 8.438 . . . . . . . . 263 G HN . 53294 1 768 . 1 . 1 204 204 GLY CA C 13 45.329 . . . . . . . . 263 G CA . 53294 1 769 . 1 . 1 204 204 GLY N N 15 109.537 . . . . . . . . 263 G N . 53294 1 770 . 1 . 1 205 205 LEU H H 1 7.385 . . . . . . . . 264 L HN . 53294 1 771 . 1 . 1 205 205 LEU CA C 13 53.505 . . . . . . . . 264 L CA . 53294 1 772 . 1 . 1 205 205 LEU CB C 13 43.114 . . . . . . . . 264 L CB . 53294 1 773 . 1 . 1 205 205 LEU N N 15 118.681 . . . . . . . . 264 L N . 53294 1 774 . 1 . 1 206 206 GLY H H 1 7.690 . . . . . . . . 265 G HN . 53294 1 775 . 1 . 1 206 206 GLY CA C 13 43.883 . . . . . . . . 265 G CA . 53294 1 776 . 1 . 1 206 206 GLY N N 15 109.622 . . . . . . . . 265 G N . 53294 1 777 . 1 . 1 207 207 PHE H H 1 8.155 . . . . . . . . 266 F HN . 53294 1 778 . 1 . 1 207 207 PHE CA C 13 56.208 . . . . . . . . 266 F CA . 53294 1 779 . 1 . 1 207 207 PHE CB C 13 43.766 . . . . . . . . 266 F CB . 53294 1 780 . 1 . 1 207 207 PHE N N 15 116.906 . . . . . . . . 266 F N . 53294 1 781 . 1 . 1 208 208 ALA H H 1 8.663 . . . . . . . . 267 A HN . 53294 1 782 . 1 . 1 208 208 ALA CA C 13 49.489 . . . . . . . . 267 A CA . 53294 1 783 . 1 . 1 208 208 ALA N N 15 118.738 . . . . . . . . 267 A N . 53294 1 784 . 1 . 1 209 209 ILE H H 1 9.007 . . . . . . . . 268 I HN . 53294 1 785 . 1 . 1 209 209 ILE CA C 13 57.248 . . . . . . . . 268 I CA . 53294 1 786 . 1 . 1 209 209 ILE CB C 13 38.047 . . . . . . . . 268 I CB . 53294 1 787 . 1 . 1 209 209 ILE N N 15 124.830 . . . . . . . . 268 I N . 53294 1 788 . 1 . 1 210 210 PRO CA C 13 62.290 . . . . . . . . 269 P CA . 53294 1 789 . 1 . 1 210 210 PRO CB C 13 31.671 . . . . . . . . 269 P CB . 53294 1 790 . 1 . 1 211 211 ALA H H 1 8.479 . . . . . . . . 270 A HN . 53294 1 791 . 1 . 1 211 211 ALA CA C 13 55.575 . . . . . . . . 270 A CA . 53294 1 792 . 1 . 1 211 211 ALA CB C 13 18.943 . . . . . . . . 270 A CB . 53294 1 793 . 1 . 1 211 211 ALA N N 15 125.225 . . . . . . . . 270 A N . 53294 1 794 . 1 . 1 212 212 ASN H H 1 8.563 . . . . . . . . 271 N HN . 53294 1 795 . 1 . 1 212 212 ASN CA C 13 55.920 . . . . . . . . 271 N CA . 53294 1 796 . 1 . 1 212 212 ASN CB C 13 35.554 . . . . . . . . 271 N CB . 53294 1 797 . 1 . 1 212 212 ASN N N 15 113.694 . . . . . . . . 271 N N . 53294 1 798 . 1 . 1 213 213 ASP H H 1 6.942 . . . . . . . . 272 D HN . 53294 1 799 . 1 . 1 213 213 ASP CA C 13 56.178 . . . . . . . . 272 D CA . 53294 1 800 . 1 . 1 213 213 ASP CB C 13 39.994 . . . . . . . . 272 D CB . 53294 1 801 . 1 . 1 213 213 ASP N N 15 117.241 . . . . . . . . 272 D N . 53294 1 802 . 1 . 1 214 214 ALA H H 1 8.430 . . . . . . . . 273 A HN . 53294 1 803 . 1 . 1 214 214 ALA CA C 13 54.999 . . . . . . . . 273 A CA . 53294 1 804 . 1 . 1 214 214 ALA CB C 13 16.138 . . . . . . . . 273 A CB . 53294 1 805 . 1 . 1 214 214 ALA N N 15 121.493 . . . . . . . . 273 A N . 53294 1 806 . 1 . 1 215 215 ILE H H 1 8.455 . . . . . . . . 274 I HN . 53294 1 807 . 1 . 1 215 215 ILE CA C 13 64.041 . . . . . . . . 274 I CA . 53294 1 808 . 1 . 1 215 215 ILE CB C 13 36.996 . . . . . . . . 274 I CB . 53294 1 809 . 1 . 1 215 215 ILE N N 15 115.508 . . . . . . . . 274 I N . 53294 1 810 . 1 . 1 216 216 ASN H H 1 6.736 . . . . . . . . 275 N HN . 53294 1 811 . 1 . 1 216 216 ASN CA C 13 55.737 . . . . . . . . 275 N CA . 53294 1 812 . 1 . 1 216 216 ASN CB C 13 37.958 . . . . . . . . 275 N CB . 53294 1 813 . 1 . 1 216 216 ASN N N 15 117.647 . . . . . . . . 275 N N . 53294 1 814 . 1 . 1 217 217 ILE H H 1 7.709 . . . . . . . . 276 I HN . 53294 1 815 . 1 . 1 217 217 ILE CA C 13 63.942 . . . . . . . . 276 I CA . 53294 1 816 . 1 . 1 217 217 ILE CB C 13 37.788 . . . . . . . . 276 I CB . 53294 1 817 . 1 . 1 217 217 ILE N N 15 121.307 . . . . . . . . 276 I N . 53294 1 818 . 1 . 1 218 218 ILE H H 1 8.836 . . . . . . . . 277 I HN . 53294 1 819 . 1 . 1 218 218 ILE CA C 13 65.917 . . . . . . . . 277 I CA . 53294 1 820 . 1 . 1 218 218 ILE CB C 13 36.674 . . . . . . . . 277 I CB . 53294 1 821 . 1 . 1 218 218 ILE N N 15 119.510 . . . . . . . . 277 I N . 53294 1 822 . 1 . 1 219 219 GLU H H 1 7.686 . . . . . . . . 278 E HN . 53294 1 823 . 1 . 1 219 219 GLU CA C 13 59.133 . . . . . . . . 278 E CA . 53294 1 824 . 1 . 1 219 219 GLU CB C 13 28.429 . . . . . . . . 278 E CB . 53294 1 825 . 1 . 1 219 219 GLU N N 15 117.356 . . . . . . . . 278 E N . 53294 1 826 . 1 . 1 220 220 GLN H H 1 7.304 . . . . . . . . 279 Q HN . 53294 1 827 . 1 . 1 220 220 GLN CA C 13 57.976 . . . . . . . . 279 Q CA . 53294 1 828 . 1 . 1 220 220 GLN CB C 13 27.606 . . . . . . . . 279 Q CB . 53294 1 829 . 1 . 1 220 220 GLN N N 15 117.043 . . . . . . . . 279 Q N . 53294 1 830 . 1 . 1 221 221 LEU H H 1 8.376 . . . . . . . . 280 L HN . 53294 1 831 . 1 . 1 221 221 LEU CA C 13 56.885 . . . . . . . . 280 L CA . 53294 1 832 . 1 . 1 221 221 LEU CB C 13 40.373 . . . . . . . . 280 L CB . 53294 1 833 . 1 . 1 221 221 LEU N N 15 119.366 . . . . . . . . 280 L N . 53294 1 834 . 1 . 1 222 222 GLU H H 1 8.417 . . . . . . . . 281 E HN . 53294 1 835 . 1 . 1 222 222 GLU CA C 13 59.015 . . . . . . . . 281 E CA . 53294 1 836 . 1 . 1 222 222 GLU CB C 13 29.925 . . . . . . . . 281 E CB . 53294 1 837 . 1 . 1 222 222 GLU N N 15 116.429 . . . . . . . . 281 E N . 53294 1 838 . 1 . 1 223 223 LYS H H 1 7.494 . . . . . . . . 282 K HN . 53294 1 839 . 1 . 1 223 223 LYS CA C 13 57.448 . . . . . . . . 282 K CA . 53294 1 840 . 1 . 1 223 223 LYS CB C 13 31.583 . . . . . . . . 282 K CB . 53294 1 841 . 1 . 1 223 223 LYS N N 15 116.876 . . . . . . . . 282 K N . 53294 1 842 . 1 . 1 224 224 ASN H H 1 7.818 . . . . . . . . 283 N HN . 53294 1 843 . 1 . 1 224 224 ASN CA C 13 53.600 . . . . . . . . 283 N CA . 53294 1 844 . 1 . 1 224 224 ASN CB C 13 38.575 . . . . . . . . 283 N CB . 53294 1 845 . 1 . 1 224 224 ASN N N 15 116.780 . . . . . . . . 283 N N . 53294 1 846 . 1 . 1 225 225 GLY H H 1 8.058 . . . . . . . . 284 G HN . 53294 1 847 . 1 . 1 225 225 GLY CA C 13 45.320 . . . . . . . . 284 G CA . 53294 1 848 . 1 . 1 225 225 GLY N N 15 108.801 . . . . . . . . 284 G N . 53294 1 849 . 1 . 1 226 226 LYS H H 1 7.704 . . . . . . . . 285 K HN . 53294 1 850 . 1 . 1 226 226 LYS CA C 13 57.170 . . . . . . . . 285 K CA . 53294 1 851 . 1 . 1 226 226 LYS CB C 13 32.701 . . . . . . . . 285 K CB . 53294 1 852 . 1 . 1 226 226 LYS N N 15 125.647 . . . . . . . . 285 K N . 53294 1 stop_ save_