data_50769 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50769 _Entry.Title ; 1H and 15N chemical-shift assignments of the backbone amide groups of the RecA_N domain of Bombyx Mori Vasa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-17 _Entry.Accession_date 2021-02-17 _Entry.Last_release_date 2021-02-17 _Entry.Original_release_date 2021-02-17 _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 . _Entry.Generated_software_label . _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 Luca Codutti . . . 0000-0003-0270-5541 50769 2 Leo Nesme . . . . 50769 3 John Kirkpatrick . P. . 0000-0002-9761-3377 50769 4 Teresa Carlomagno . . . 0000-0002-2437-2760 50769 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Carlomagno Group, Biomolekulares Wirkstoffzentrum' . 50769 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50769 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 164 50769 '1H chemical shifts' 164 50769 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 . . 2024-10-15 . original BMRB . 50769 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50768 'assignments of the isoleucine, leucine and valine methyl groups of Bombyx Mori Vasa' 50769 BMRB 50770 'assignments of backbone amide groups of the RecA_C domain of Bombyx Mori Vasa' 50769 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50769 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1016/j.bpj.2024.10.001 _Citation.Full_citation . _Citation.Title ; Long-range conformational changes in the nucleotide-bound states of the DEAD-box helicase Vasa ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical Journal' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 Luca Codutti . . . . 50769 1 2 John Kirkpatrick . P. . . 50769 1 3 Suzanne 'zur Lage' . . . . 50769 1 4 Teresa Carlomagno . . . . 50769 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DEAD-box helicase' 50769 1 Vasa 50769 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50769 _Assembly.ID 1 _Assembly.Name RecA_N _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 yes _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 RecA_N 1 $entity_1 . . yes native yes no . . . 50769 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4d25 . . X-ray 1.9 . . 50769 1 yes PDB 4d26 . . X-ray 2.1 . . 50769 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Helicase 50769 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50769 _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 ; GAMDPAEFVTYVPPEPTNDE TEIFSSTISSGINFDKFDHI AVKVSGENPPRPIESFETAN LRKYVLDNVLKAGYRKPTPI QKNAIPIIMSGRDLMGCAQT GSGKTAAFLVPIINMLLQDP KDLISENGCAQPQVIIVSPT RELTLQIFNEARKFSYGSVL KVAVAYGGTAVRHQGDNIAR GCHILVATPGRLHDFVERNR VSFGSVRFVVLDEADRMLDM GFMPSIEKMMLHPTMVETTK RQTLMFSATFPEDIQHLAGR FLNNYLFVAVGIVG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '127, G' _Entity.Polymer_author_seq_details ; The first residue of the native Vasa sequence is residue 9 in the sequence above, which corresponds to residue 135 in the native Vasa sequence; hence residue 1 of the sequence above should be numbered as residue 127 (i.e. the first 8 residues are cloning artifacts). ; _Entity.Ambiguous_conformational_states yes _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 274 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI NP_001037347.1 . 'vasa-like [Bombyx mori]' . . . . . . . . . . . . . . 50769 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Helicase 50769 1 stop_ 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 1 127 GLY . 50769 1 2 128 ALA . 50769 1 3 129 MET . 50769 1 4 130 ASP . 50769 1 5 131 PRO . 50769 1 6 132 ALA . 50769 1 7 133 GLU . 50769 1 8 134 PHE . 50769 1 9 135 VAL . 50769 1 10 136 THR . 50769 1 11 137 TYR . 50769 1 12 138 VAL . 50769 1 13 139 PRO . 50769 1 14 140 PRO . 50769 1 15 141 GLU . 50769 1 16 142 PRO . 50769 1 17 143 THR . 50769 1 18 144 ASN . 50769 1 19 145 ASP . 50769 1 20 146 GLU . 50769 1 21 147 THR . 50769 1 22 148 GLU . 50769 1 23 149 ILE . 50769 1 24 150 PHE . 50769 1 25 151 SER . 50769 1 26 152 SER . 50769 1 27 153 THR . 50769 1 28 154 ILE . 50769 1 29 155 SER . 50769 1 30 156 SER . 50769 1 31 157 GLY . 50769 1 32 158 ILE . 50769 1 33 159 ASN . 50769 1 34 160 PHE . 50769 1 35 161 ASP . 50769 1 36 162 LYS . 50769 1 37 163 PHE . 50769 1 38 164 ASP . 50769 1 39 165 HIS . 50769 1 40 166 ILE . 50769 1 41 167 ALA . 50769 1 42 168 VAL . 50769 1 43 169 LYS . 50769 1 44 170 VAL . 50769 1 45 171 SER . 50769 1 46 172 GLY . 50769 1 47 173 GLU . 50769 1 48 174 ASN . 50769 1 49 175 PRO . 50769 1 50 176 PRO . 50769 1 51 177 ARG . 50769 1 52 178 PRO . 50769 1 53 179 ILE . 50769 1 54 180 GLU . 50769 1 55 181 SER . 50769 1 56 182 PHE . 50769 1 57 183 GLU . 50769 1 58 184 THR . 50769 1 59 185 ALA . 50769 1 60 186 ASN . 50769 1 61 187 LEU . 50769 1 62 188 ARG . 50769 1 63 189 LYS . 50769 1 64 190 TYR . 50769 1 65 191 VAL . 50769 1 66 192 LEU . 50769 1 67 193 ASP . 50769 1 68 194 ASN . 50769 1 69 195 VAL . 50769 1 70 196 LEU . 50769 1 71 197 LYS . 50769 1 72 198 ALA . 50769 1 73 199 GLY . 50769 1 74 200 TYR . 50769 1 75 201 ARG . 50769 1 76 202 LYS . 50769 1 77 203 PRO . 50769 1 78 204 THR . 50769 1 79 205 PRO . 50769 1 80 206 ILE . 50769 1 81 207 GLN . 50769 1 82 208 LYS . 50769 1 83 209 ASN . 50769 1 84 210 ALA . 50769 1 85 211 ILE . 50769 1 86 212 PRO . 50769 1 87 213 ILE . 50769 1 88 214 ILE . 50769 1 89 215 MET . 50769 1 90 216 SER . 50769 1 91 217 GLY . 50769 1 92 218 ARG . 50769 1 93 219 ASP . 50769 1 94 220 LEU . 50769 1 95 221 MET . 50769 1 96 222 GLY . 50769 1 97 223 CYS . 50769 1 98 224 ALA . 50769 1 99 225 GLN . 50769 1 100 226 THR . 50769 1 101 227 GLY . 50769 1 102 228 SER . 50769 1 103 229 GLY . 50769 1 104 230 LYS . 50769 1 105 231 THR . 50769 1 106 232 ALA . 50769 1 107 233 ALA . 50769 1 108 234 PHE . 50769 1 109 235 LEU . 50769 1 110 236 VAL . 50769 1 111 237 PRO . 50769 1 112 238 ILE . 50769 1 113 239 ILE . 50769 1 114 240 ASN . 50769 1 115 241 MET . 50769 1 116 242 LEU . 50769 1 117 243 LEU . 50769 1 118 244 GLN . 50769 1 119 245 ASP . 50769 1 120 246 PRO . 50769 1 121 247 LYS . 50769 1 122 248 ASP . 50769 1 123 249 LEU . 50769 1 124 250 ILE . 50769 1 125 251 SER . 50769 1 126 252 GLU . 50769 1 127 253 ASN . 50769 1 128 254 GLY . 50769 1 129 255 CYS . 50769 1 130 256 ALA . 50769 1 131 257 GLN . 50769 1 132 258 PRO . 50769 1 133 259 GLN . 50769 1 134 260 VAL . 50769 1 135 261 ILE . 50769 1 136 262 ILE . 50769 1 137 263 VAL . 50769 1 138 264 SER . 50769 1 139 265 PRO . 50769 1 140 266 THR . 50769 1 141 267 ARG . 50769 1 142 268 GLU . 50769 1 143 269 LEU . 50769 1 144 270 THR . 50769 1 145 271 LEU . 50769 1 146 272 GLN . 50769 1 147 273 ILE . 50769 1 148 274 PHE . 50769 1 149 275 ASN . 50769 1 150 276 GLU . 50769 1 151 277 ALA . 50769 1 152 278 ARG . 50769 1 153 279 LYS . 50769 1 154 280 PHE . 50769 1 155 281 SER . 50769 1 156 282 TYR . 50769 1 157 283 GLY . 50769 1 158 284 SER . 50769 1 159 285 VAL . 50769 1 160 286 LEU . 50769 1 161 287 LYS . 50769 1 162 288 VAL . 50769 1 163 289 ALA . 50769 1 164 290 VAL . 50769 1 165 291 ALA . 50769 1 166 292 TYR . 50769 1 167 293 GLY . 50769 1 168 294 GLY . 50769 1 169 295 THR . 50769 1 170 296 ALA . 50769 1 171 297 VAL . 50769 1 172 298 ARG . 50769 1 173 299 HIS . 50769 1 174 300 GLN . 50769 1 175 301 GLY . 50769 1 176 302 ASP . 50769 1 177 303 ASN . 50769 1 178 304 ILE . 50769 1 179 305 ALA . 50769 1 180 306 ARG . 50769 1 181 307 GLY . 50769 1 182 308 CYS . 50769 1 183 309 HIS . 50769 1 184 310 ILE . 50769 1 185 311 LEU . 50769 1 186 312 VAL . 50769 1 187 313 ALA . 50769 1 188 314 THR . 50769 1 189 315 PRO . 50769 1 190 316 GLY . 50769 1 191 317 ARG . 50769 1 192 318 LEU . 50769 1 193 319 HIS . 50769 1 194 320 ASP . 50769 1 195 321 PHE . 50769 1 196 322 VAL . 50769 1 197 323 GLU . 50769 1 198 324 ARG . 50769 1 199 325 ASN . 50769 1 200 326 ARG . 50769 1 201 327 VAL . 50769 1 202 328 SER . 50769 1 203 329 PHE . 50769 1 204 330 GLY . 50769 1 205 331 SER . 50769 1 206 332 VAL . 50769 1 207 333 ARG . 50769 1 208 334 PHE . 50769 1 209 335 VAL . 50769 1 210 336 VAL . 50769 1 211 337 LEU . 50769 1 212 338 ASP . 50769 1 213 339 GLU . 50769 1 214 340 ALA . 50769 1 215 341 ASP . 50769 1 216 342 ARG . 50769 1 217 343 MET . 50769 1 218 344 LEU . 50769 1 219 345 ASP . 50769 1 220 346 MET . 50769 1 221 347 GLY . 50769 1 222 348 PHE . 50769 1 223 349 MET . 50769 1 224 350 PRO . 50769 1 225 351 SER . 50769 1 226 352 ILE . 50769 1 227 353 GLU . 50769 1 228 354 LYS . 50769 1 229 355 MET . 50769 1 230 356 MET . 50769 1 231 357 LEU . 50769 1 232 358 HIS . 50769 1 233 359 PRO . 50769 1 234 360 THR . 50769 1 235 361 MET . 50769 1 236 362 VAL . 50769 1 237 363 GLU . 50769 1 238 364 THR . 50769 1 239 365 THR . 50769 1 240 366 LYS . 50769 1 241 367 ARG . 50769 1 242 368 GLN . 50769 1 243 369 THR . 50769 1 244 370 LEU . 50769 1 245 371 MET . 50769 1 246 372 PHE . 50769 1 247 373 SER . 50769 1 248 374 ALA . 50769 1 249 375 THR . 50769 1 250 376 PHE . 50769 1 251 377 PRO . 50769 1 252 378 GLU . 50769 1 253 379 ASP . 50769 1 254 380 ILE . 50769 1 255 381 GLN . 50769 1 256 382 HIS . 50769 1 257 383 LEU . 50769 1 258 384 ALA . 50769 1 259 385 GLY . 50769 1 260 386 ARG . 50769 1 261 387 PHE . 50769 1 262 388 LEU . 50769 1 263 389 ASN . 50769 1 264 390 ASN . 50769 1 265 391 TYR . 50769 1 266 392 LEU . 50769 1 267 393 PHE . 50769 1 268 394 VAL . 50769 1 269 395 ALA . 50769 1 270 396 VAL . 50769 1 271 397 GLY . 50769 1 272 398 ILE . 50769 1 273 399 VAL . 50769 1 274 400 GLY . 50769 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 . GLY 1 1 50769 1 . ALA 2 2 50769 1 . MET 3 3 50769 1 . ASP 4 4 50769 1 . PRO 5 5 50769 1 . ALA 6 6 50769 1 . GLU 7 7 50769 1 . PHE 8 8 50769 1 . VAL 9 9 50769 1 . THR 10 10 50769 1 . TYR 11 11 50769 1 . VAL 12 12 50769 1 . PRO 13 13 50769 1 . PRO 14 14 50769 1 . GLU 15 15 50769 1 . PRO 16 16 50769 1 . THR 17 17 50769 1 . ASN 18 18 50769 1 . ASP 19 19 50769 1 . GLU 20 20 50769 1 . THR 21 21 50769 1 . GLU 22 22 50769 1 . ILE 23 23 50769 1 . PHE 24 24 50769 1 . SER 25 25 50769 1 . SER 26 26 50769 1 . THR 27 27 50769 1 . ILE 28 28 50769 1 . SER 29 29 50769 1 . SER 30 30 50769 1 . GLY 31 31 50769 1 . ILE 32 32 50769 1 . ASN 33 33 50769 1 . PHE 34 34 50769 1 . ASP 35 35 50769 1 . LYS 36 36 50769 1 . PHE 37 37 50769 1 . ASP 38 38 50769 1 . HIS 39 39 50769 1 . ILE 40 40 50769 1 . ALA 41 41 50769 1 . VAL 42 42 50769 1 . LYS 43 43 50769 1 . VAL 44 44 50769 1 . SER 45 45 50769 1 . GLY 46 46 50769 1 . GLU 47 47 50769 1 . ASN 48 48 50769 1 . PRO 49 49 50769 1 . PRO 50 50 50769 1 . ARG 51 51 50769 1 . PRO 52 52 50769 1 . ILE 53 53 50769 1 . GLU 54 54 50769 1 . SER 55 55 50769 1 . PHE 56 56 50769 1 . GLU 57 57 50769 1 . THR 58 58 50769 1 . ALA 59 59 50769 1 . ASN 60 60 50769 1 . LEU 61 61 50769 1 . ARG 62 62 50769 1 . LYS 63 63 50769 1 . TYR 64 64 50769 1 . VAL 65 65 50769 1 . LEU 66 66 50769 1 . ASP 67 67 50769 1 . ASN 68 68 50769 1 . VAL 69 69 50769 1 . LEU 70 70 50769 1 . LYS 71 71 50769 1 . ALA 72 72 50769 1 . GLY 73 73 50769 1 . TYR 74 74 50769 1 . ARG 75 75 50769 1 . LYS 76 76 50769 1 . PRO 77 77 50769 1 . THR 78 78 50769 1 . PRO 79 79 50769 1 . ILE 80 80 50769 1 . GLN 81 81 50769 1 . LYS 82 82 50769 1 . ASN 83 83 50769 1 . ALA 84 84 50769 1 . ILE 85 85 50769 1 . PRO 86 86 50769 1 . ILE 87 87 50769 1 . ILE 88 88 50769 1 . MET 89 89 50769 1 . SER 90 90 50769 1 . GLY 91 91 50769 1 . ARG 92 92 50769 1 . ASP 93 93 50769 1 . LEU 94 94 50769 1 . MET 95 95 50769 1 . GLY 96 96 50769 1 . CYS 97 97 50769 1 . ALA 98 98 50769 1 . GLN 99 99 50769 1 . THR 100 100 50769 1 . GLY 101 101 50769 1 . SER 102 102 50769 1 . GLY 103 103 50769 1 . LYS 104 104 50769 1 . THR 105 105 50769 1 . ALA 106 106 50769 1 . ALA 107 107 50769 1 . PHE 108 108 50769 1 . LEU 109 109 50769 1 . VAL 110 110 50769 1 . PRO 111 111 50769 1 . ILE 112 112 50769 1 . ILE 113 113 50769 1 . ASN 114 114 50769 1 . MET 115 115 50769 1 . LEU 116 116 50769 1 . LEU 117 117 50769 1 . GLN 118 118 50769 1 . ASP 119 119 50769 1 . PRO 120 120 50769 1 . LYS 121 121 50769 1 . ASP 122 122 50769 1 . LEU 123 123 50769 1 . ILE 124 124 50769 1 . SER 125 125 50769 1 . GLU 126 126 50769 1 . ASN 127 127 50769 1 . GLY 128 128 50769 1 . CYS 129 129 50769 1 . ALA 130 130 50769 1 . GLN 131 131 50769 1 . PRO 132 132 50769 1 . GLN 133 133 50769 1 . VAL 134 134 50769 1 . ILE 135 135 50769 1 . ILE 136 136 50769 1 . VAL 137 137 50769 1 . SER 138 138 50769 1 . PRO 139 139 50769 1 . THR 140 140 50769 1 . ARG 141 141 50769 1 . GLU 142 142 50769 1 . LEU 143 143 50769 1 . THR 144 144 50769 1 . LEU 145 145 50769 1 . GLN 146 146 50769 1 . ILE 147 147 50769 1 . PHE 148 148 50769 1 . ASN 149 149 50769 1 . GLU 150 150 50769 1 . ALA 151 151 50769 1 . ARG 152 152 50769 1 . LYS 153 153 50769 1 . PHE 154 154 50769 1 . SER 155 155 50769 1 . TYR 156 156 50769 1 . GLY 157 157 50769 1 . SER 158 158 50769 1 . VAL 159 159 50769 1 . LEU 160 160 50769 1 . LYS 161 161 50769 1 . VAL 162 162 50769 1 . ALA 163 163 50769 1 . VAL 164 164 50769 1 . ALA 165 165 50769 1 . TYR 166 166 50769 1 . GLY 167 167 50769 1 . GLY 168 168 50769 1 . THR 169 169 50769 1 . ALA 170 170 50769 1 . VAL 171 171 50769 1 . ARG 172 172 50769 1 . HIS 173 173 50769 1 . GLN 174 174 50769 1 . GLY 175 175 50769 1 . ASP 176 176 50769 1 . ASN 177 177 50769 1 . ILE 178 178 50769 1 . ALA 179 179 50769 1 . ARG 180 180 50769 1 . GLY 181 181 50769 1 . CYS 182 182 50769 1 . HIS 183 183 50769 1 . ILE 184 184 50769 1 . LEU 185 185 50769 1 . VAL 186 186 50769 1 . ALA 187 187 50769 1 . THR 188 188 50769 1 . PRO 189 189 50769 1 . GLY 190 190 50769 1 . ARG 191 191 50769 1 . LEU 192 192 50769 1 . HIS 193 193 50769 1 . ASP 194 194 50769 1 . PHE 195 195 50769 1 . VAL 196 196 50769 1 . GLU 197 197 50769 1 . ARG 198 198 50769 1 . ASN 199 199 50769 1 . ARG 200 200 50769 1 . VAL 201 201 50769 1 . SER 202 202 50769 1 . PHE 203 203 50769 1 . GLY 204 204 50769 1 . SER 205 205 50769 1 . VAL 206 206 50769 1 . ARG 207 207 50769 1 . PHE 208 208 50769 1 . VAL 209 209 50769 1 . VAL 210 210 50769 1 . LEU 211 211 50769 1 . ASP 212 212 50769 1 . GLU 213 213 50769 1 . ALA 214 214 50769 1 . ASP 215 215 50769 1 . ARG 216 216 50769 1 . MET 217 217 50769 1 . LEU 218 218 50769 1 . ASP 219 219 50769 1 . MET 220 220 50769 1 . GLY 221 221 50769 1 . PHE 222 222 50769 1 . MET 223 223 50769 1 . PRO 224 224 50769 1 . SER 225 225 50769 1 . ILE 226 226 50769 1 . GLU 227 227 50769 1 . LYS 228 228 50769 1 . MET 229 229 50769 1 . MET 230 230 50769 1 . LEU 231 231 50769 1 . HIS 232 232 50769 1 . PRO 233 233 50769 1 . THR 234 234 50769 1 . MET 235 235 50769 1 . VAL 236 236 50769 1 . GLU 237 237 50769 1 . THR 238 238 50769 1 . THR 239 239 50769 1 . LYS 240 240 50769 1 . ARG 241 241 50769 1 . GLN 242 242 50769 1 . THR 243 243 50769 1 . LEU 244 244 50769 1 . MET 245 245 50769 1 . PHE 246 246 50769 1 . SER 247 247 50769 1 . ALA 248 248 50769 1 . THR 249 249 50769 1 . PHE 250 250 50769 1 . PRO 251 251 50769 1 . GLU 252 252 50769 1 . ASP 253 253 50769 1 . ILE 254 254 50769 1 . GLN 255 255 50769 1 . HIS 256 256 50769 1 . LEU 257 257 50769 1 . ALA 258 258 50769 1 . GLY 259 259 50769 1 . ARG 260 260 50769 1 . PHE 261 261 50769 1 . LEU 262 262 50769 1 . ASN 263 263 50769 1 . ASN 264 264 50769 1 . TYR 265 265 50769 1 . LEU 266 266 50769 1 . PHE 267 267 50769 1 . VAL 268 268 50769 1 . ALA 269 269 50769 1 . VAL 270 270 50769 1 . GLY 271 271 50769 1 . ILE 272 272 50769 1 . VAL 273 273 50769 1 . GLY 274 274 50769 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 50769 _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 . 7091 organism . 'Bombyx mori' 'domestic silkworm' . . Eukaryota Metazoa Bombyx mori . . . . . . . . . . . BmVLG . 50769 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 50769 _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 BL21 RIL . plasmid . . pETM11 . . . 50769 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50769 _Sample.ID 1 _Sample.Name 1 _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 RecA_N '[U-15N; U-2H]' . . 1 $entity_1 . . 60 . . uM 20 . . . 50769 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 50769 1 3 'sodium chloride' 'natural abundance' . . . . . . 350 . . mM . . . . 50769 1 4 arginine 'natural abundance' . . . . . . 100 . . mM . . . . 50769 1 5 'glutamic acid' 'natural abundance' . . . . . . 100 . . mM . . . . 50769 1 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 50769 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50769 1 8 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 50769 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 50769 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _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 pH 8.0 0.1 pH 50769 1 temperature 293 0.2 K 50769 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50769 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50769 1 processing . 50769 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50769 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50769 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50769 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50769 3 'peak picking' . 50769 3 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 50769 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 850 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50769 _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 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50769 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 50769 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _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 H 1 water protons . . . . ppm 4.821 internal direct 1 . . . . . 50769 1 N 15 water protons . . . . ppm 4.821 internal indirect 0.101329118 . . . . . 50769 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 50769 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '2D 1H-15N TROSY' . . . 50769 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 . . 50769 1 2 $software_2 . . 50769 1 3 $software_3 . . 50769 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 40 40 ILE H H 1 8.439 0.001 . 1 . . . . . 166 ILE H . 50769 1 2 . 1 . 1 40 40 ILE N N 15 118.946 0.006 . 1 . . . . . 166 ILE N . 50769 1 3 . 1 . 1 42 42 VAL H H 1 8.118 0.001 . 1 . . . . . 168 VAL H . 50769 1 4 . 1 . 1 42 42 VAL N N 15 118.637 0.006 . 1 . . . . . 168 VAL N . 50769 1 5 . 1 . 1 43 43 LYS H H 1 8.785 0.000 . 1 . . . . . 169 LYS H . 50769 1 6 . 1 . 1 43 43 LYS N N 15 128.441 0.010 . 1 . . . . . 169 LYS N . 50769 1 7 . 1 . 1 44 44 VAL H H 1 9.315 0.002 . 1 . . . . . 170 VAL H . 50769 1 8 . 1 . 1 44 44 VAL N N 15 126.947 0.010 . 1 . . . . . 170 VAL N . 50769 1 9 . 1 . 1 45 45 SER H H 1 9.598 0.002 . 1 . . . . . 171 SER H . 50769 1 10 . 1 . 1 45 45 SER N N 15 122.125 0.002 . 1 . . . . . 171 SER N . 50769 1 11 . 1 . 1 46 46 GLY H H 1 8.268 0.002 . 1 . . . . . 172 GLY H . 50769 1 12 . 1 . 1 46 46 GLY N N 15 110.123 0.010 . 1 . . . . . 172 GLY N . 50769 1 13 . 1 . 1 47 47 GLU H H 1 8.612 0.001 . 1 . . . . . 173 GLU H . 50769 1 14 . 1 . 1 47 47 GLU N N 15 118.210 0.015 . 1 . . . . . 173 GLU N . 50769 1 15 . 1 . 1 48 48 ASN H H 1 9.313 0.002 . 1 . . . . . 174 ASN H . 50769 1 16 . 1 . 1 48 48 ASN N N 15 120.485 0.000 . 1 . . . . . 174 ASN N . 50769 1 17 . 1 . 1 53 53 ILE H H 1 8.151 0.002 . 1 . . . . . 179 ILE H . 50769 1 18 . 1 . 1 53 53 ILE N N 15 113.415 0.007 . 1 . . . . . 179 ILE N . 50769 1 19 . 1 . 1 54 54 GLU H H 1 8.779 0.004 . 1 . . . . . 180 GLU H . 50769 1 20 . 1 . 1 54 54 GLU N N 15 117.152 0.010 . 1 . . . . . 180 GLU N . 50769 1 21 . 1 . 1 55 55 SER H H 1 7.275 0.001 . 1 . . . . . 181 SER H . 50769 1 22 . 1 . 1 55 55 SER N N 15 108.720 0.009 . 1 . . . . . 181 SER N . 50769 1 23 . 1 . 1 56 56 PHE H H 1 9.374 0.001 . 1 . . . . . 182 PHE H . 50769 1 24 . 1 . 1 56 56 PHE N N 15 120.209 0.006 . 1 . . . . . 182 PHE N . 50769 1 25 . 1 . 1 57 57 GLU H H 1 10.325 0.001 . 1 . . . . . 183 GLU H . 50769 1 26 . 1 . 1 57 57 GLU N N 15 118.794 0.012 . 1 . . . . . 183 GLU N . 50769 1 27 . 1 . 1 58 58 THR H H 1 7.249 0.000 . 1 . . . . . 184 THR H . 50769 1 28 . 1 . 1 58 58 THR N N 15 107.809 0.004 . 1 . . . . . 184 THR N . 50769 1 29 . 1 . 1 59 59 ALA H H 1 7.220 0.001 . 1 . . . . . 185 ALA H . 50769 1 30 . 1 . 1 59 59 ALA N N 15 122.449 0.006 . 1 . . . . . 185 ALA N . 50769 1 31 . 1 . 1 60 60 ASN H H 1 8.331 0.002 . 1 . . . . . 186 ASN H . 50769 1 32 . 1 . 1 60 60 ASN N N 15 113.653 0.008 . 1 . . . . . 186 ASN N . 50769 1 33 . 1 . 1 61 61 LEU H H 1 8.530 0.001 . 1 . . . . . 187 LEU H . 50769 1 34 . 1 . 1 61 61 LEU N N 15 116.083 0.018 . 1 . . . . . 187 LEU N . 50769 1 35 . 1 . 1 62 62 ARG H H 1 9.443 0.004 . 1 . . . . . 188 ARG H . 50769 1 36 . 1 . 1 62 62 ARG N N 15 123.264 0.006 . 1 . . . . . 188 ARG N . 50769 1 37 . 1 . 1 64 64 TYR H H 1 8.105 0.008 . 1 . . . . . 190 TYR H . 50769 1 38 . 1 . 1 64 64 TYR N N 15 114.169 0.004 . 1 . . . . . 190 TYR N . 50769 1 39 . 1 . 1 65 65 VAL H H 1 6.698 0.001 . 1 . . . . . 191 VAL H . 50769 1 40 . 1 . 1 65 65 VAL N N 15 117.826 0.008 . 1 . . . . . 191 VAL N . 50769 1 41 . 1 . 1 66 66 LEU H H 1 8.032 0.001 . 1 . . . . . 192 LEU H . 50769 1 42 . 1 . 1 66 66 LEU N N 15 119.870 0.011 . 1 . . . . . 192 LEU N . 50769 1 43 . 1 . 1 67 67 ASP H H 1 8.544 0.001 . 1 . . . . . 193 ASP H . 50769 1 44 . 1 . 1 67 67 ASP N N 15 116.375 0.017 . 1 . . . . . 193 ASP N . 50769 1 45 . 1 . 1 68 68 ASN H H 1 7.530 0.001 . 1 . . . . . 194 ASN H . 50769 1 46 . 1 . 1 68 68 ASN N N 15 118.226 0.011 . 1 . . . . . 194 ASN N . 50769 1 47 . 1 . 1 69 69 VAL H H 1 8.385 0.000 . 1 . . . . . 195 VAL H . 50769 1 48 . 1 . 1 69 69 VAL N N 15 123.930 0.008 . 1 . . . . . 195 VAL N . 50769 1 49 . 1 . 1 70 70 LEU H H 1 8.096 0.001 . 1 . . . . . 196 LEU H . 50769 1 50 . 1 . 1 70 70 LEU N N 15 118.097 0.014 . 1 . . . . . 196 LEU N . 50769 1 51 . 1 . 1 71 71 LYS H H 1 8.408 0.000 . 1 . . . . . 197 LYS H . 50769 1 52 . 1 . 1 71 71 LYS N N 15 121.024 0.015 . 1 . . . . . 197 LYS N . 50769 1 53 . 1 . 1 72 72 ALA H H 1 7.524 0.000 . 1 . . . . . 198 ALA H . 50769 1 54 . 1 . 1 72 72 ALA N N 15 119.149 0.000 . 1 . . . . . 198 ALA N . 50769 1 55 . 1 . 1 73 73 GLY H H 1 7.798 0.002 . 1 . . . . . 199 GLY H . 50769 1 56 . 1 . 1 73 73 GLY N N 15 104.889 0.002 . 1 . . . . . 199 GLY N . 50769 1 57 . 1 . 1 74 74 TYR H H 1 7.370 0.001 . 1 . . . . . 200 TYR H . 50769 1 58 . 1 . 1 74 74 TYR N N 15 121.453 0.008 . 1 . . . . . 200 TYR N . 50769 1 59 . 1 . 1 76 76 LYS H H 1 8.234 0.002 . 1 . . . . . 202 LYS H . 50769 1 60 . 1 . 1 76 76 LYS N N 15 120.088 0.006 . 1 . . . . . 202 LYS N . 50769 1 61 . 1 . 1 80 80 ILE H H 1 9.337 0.004 . 1 . . . . . 206 ILE H . 50769 1 62 . 1 . 1 80 80 ILE N N 15 115.243 0.007 . 1 . . . . . 206 ILE N . 50769 1 63 . 1 . 1 81 81 GLN H H 1 7.047 0.001 . 1 . . . . . 207 GLN H . 50769 1 64 . 1 . 1 81 81 GLN N N 15 123.519 0.005 . 1 . . . . . 207 GLN N . 50769 1 65 . 1 . 1 82 82 LYS H H 1 8.722 0.000 . 1 . . . . . 208 LYS H . 50769 1 66 . 1 . 1 82 82 LYS N N 15 115.675 0.011 . 1 . . . . . 208 LYS N . 50769 1 67 . 1 . 1 83 83 ASN H H 1 6.876 0.001 . 1 . . . . . 209 ASN H . 50769 1 68 . 1 . 1 83 83 ASN N N 15 110.097 0.013 . 1 . . . . . 209 ASN N . 50769 1 69 . 1 . 1 84 84 ALA H H 1 9.028 0.000 . 1 . . . . . 210 ALA H . 50769 1 70 . 1 . 1 84 84 ALA N N 15 117.823 0.011 . 1 . . . . . 210 ALA N . 50769 1 71 . 1 . 1 85 85 ILE H H 1 7.810 0.001 . 1 . . . . . 211 ILE H . 50769 1 72 . 1 . 1 85 85 ILE N N 15 113.486 0.016 . 1 . . . . . 211 ILE N . 50769 1 73 . 1 . 1 87 87 ILE H H 1 7.060 0.000 . 1 . . . . . 213 ILE H . 50769 1 74 . 1 . 1 87 87 ILE N N 15 119.516 0.005 . 1 . . . . . 213 ILE N . 50769 1 75 . 1 . 1 88 88 ILE H H 1 8.657 0.002 . 1 . . . . . 214 ILE H . 50769 1 76 . 1 . 1 88 88 ILE N N 15 120.777 0.003 . 1 . . . . . 214 ILE N . 50769 1 77 . 1 . 1 89 89 MET H H 1 8.471 0.002 . 1 . . . . . 215 MET H . 50769 1 78 . 1 . 1 89 89 MET N N 15 117.956 0.011 . 1 . . . . . 215 MET N . 50769 1 79 . 1 . 1 90 90 SER H H 1 7.629 0.000 . 1 . . . . . 216 SER H . 50769 1 80 . 1 . 1 90 90 SER N N 15 112.764 0.008 . 1 . . . . . 216 SER N . 50769 1 81 . 1 . 1 91 91 GLY H H 1 8.096 0.001 . 1 . . . . . 217 GLY H . 50769 1 82 . 1 . 1 91 91 GLY N N 15 108.323 0.006 . 1 . . . . . 217 GLY N . 50769 1 83 . 1 . 1 92 92 ARG H H 1 6.985 0.001 . 1 . . . . . 218 ARG H . 50769 1 84 . 1 . 1 92 92 ARG N N 15 118.392 0.009 . 1 . . . . . 218 ARG N . 50769 1 85 . 1 . 1 93 93 ASP H H 1 8.342 0.002 . 1 . . . . . 219 ASP H . 50769 1 86 . 1 . 1 93 93 ASP N N 15 121.603 0.013 . 1 . . . . . 219 ASP N . 50769 1 87 . 1 . 1 94 94 LEU H H 1 7.245 0.001 . 1 . . . . . 220 LEU H . 50769 1 88 . 1 . 1 94 94 LEU N N 15 118.446 0.014 . 1 . . . . . 220 LEU N . 50769 1 89 . 1 . 1 95 95 MET H H 1 8.857 0.000 . 1 . . . . . 221 MET H . 50769 1 90 . 1 . 1 95 95 MET N N 15 126.829 0.012 . 1 . . . . . 221 MET N . 50769 1 91 . 1 . 1 96 96 GLY H H 1 9.237 0.001 . 1 . . . . . 222 GLY H . 50769 1 92 . 1 . 1 96 96 GLY N N 15 113.283 0.006 . 1 . . . . . 222 GLY N . 50769 1 93 . 1 . 1 97 97 CYS H H 1 9.254 0.001 . 1 . . . . . 223 CYS H . 50769 1 94 . 1 . 1 97 97 CYS N N 15 125.649 0.003 . 1 . . . . . 223 CYS N . 50769 1 95 . 1 . 1 98 98 ALA H H 1 7.974 0.002 . 1 . . . . . 224 ALA H . 50769 1 96 . 1 . 1 98 98 ALA N N 15 124.787 0.005 . 1 . . . . . 224 ALA N . 50769 1 97 . 1 . 1 99 99 GLN H H 1 8.840 0.002 . 1 . . . . . 225 GLN H . 50769 1 98 . 1 . 1 99 99 GLN N N 15 118.719 0.005 . 1 . . . . . 225 GLN N . 50769 1 99 . 1 . 1 102 102 SER H H 1 8.138 0.000 . 1 . . . . . 228 SER H . 50769 1 100 . 1 . 1 102 102 SER N N 15 114.923 0.020 . 1 . . . . . 228 SER N . 50769 1 101 . 1 . 1 103 103 GLY H H 1 9.382 0.000 . 1 . . . . . 229 GLY H . 50769 1 102 . 1 . 1 103 103 GLY N N 15 115.361 0.000 . 1 . . . . . 229 GLY N . 50769 1 103 . 1 . 1 104 104 LYS H H 1 8.010 0.003 . 1 . . . . . 230 LYS H . 50769 1 104 . 1 . 1 104 104 LYS N N 15 122.218 0.006 . 1 . . . . . 230 LYS N . 50769 1 105 . 1 . 1 105 105 THR H H 1 8.217 0.001 . 1 . . . . . 231 THR H . 50769 1 106 . 1 . 1 105 105 THR N N 15 114.299 0.005 . 1 . . . . . 231 THR N . 50769 1 107 . 1 . 1 106 106 ALA H H 1 8.368 0.000 . 1 . . . . . 232 ALA H . 50769 1 108 . 1 . 1 106 106 ALA N N 15 121.971 0.009 . 1 . . . . . 232 ALA N . 50769 1 109 . 1 . 1 107 107 ALA H H 1 7.244 0.001 . 1 . . . . . 233 ALA H . 50769 1 110 . 1 . 1 107 107 ALA N N 15 114.834 0.015 . 1 . . . . . 233 ALA N . 50769 1 111 . 1 . 1 108 108 PHE H H 1 6.727 0.001 . 1 . . . . . 234 PHE H . 50769 1 112 . 1 . 1 108 108 PHE N N 15 102.435 0.022 . 1 . . . . . 234 PHE N . 50769 1 113 . 1 . 1 109 109 LEU H H 1 7.940 0.000 . 1 . . . . . 235 LEU H . 50769 1 114 . 1 . 1 109 109 LEU N N 15 121.959 0.016 . 1 . . . . . 235 LEU N . 50769 1 115 . 1 . 1 117 117 LEU H H 1 7.363 0.000 . 1 . . . . . 243 LEU H . 50769 1 116 . 1 . 1 117 117 LEU N N 15 114.936 0.002 . 1 . . . . . 243 LEU N . 50769 1 117 . 1 . 1 118 118 GLN H H 1 8.521 0.002 . 1 . . . . . 244 GLN H . 50769 1 118 . 1 . 1 118 118 GLN N N 15 119.362 0.006 . 1 . . . . . 244 GLN N . 50769 1 119 . 1 . 1 119 119 ASP H H 1 7.627 0.000 . 1 . . . . . 245 ASP H . 50769 1 120 . 1 . 1 119 119 ASP N N 15 116.487 0.000 . 1 . . . . . 245 ASP N . 50769 1 121 . 1 . 1 121 121 LYS H H 1 8.877 0.001 . 1 . . . . . 247 LYS H . 50769 1 122 . 1 . 1 121 121 LYS N N 15 121.507 0.007 . 1 . . . . . 247 LYS N . 50769 1 123 . 1 . 1 122 122 ASP H H 1 8.735 0.006 . 1 . . . . . 248 ASP H . 50769 1 124 . 1 . 1 122 122 ASP N N 15 124.138 0.007 . 1 . . . . . 248 ASP N . 50769 1 125 . 1 . 1 123 123 LEU H H 1 8.501 0.004 . 1 . . . . . 249 LEU H . 50769 1 126 . 1 . 1 123 123 LEU N N 15 121.845 0.001 . 1 . . . . . 249 LEU N . 50769 1 127 . 1 . 1 124 124 ILE H H 1 8.842 0.002 . 1 . . . . . 250 ILE H . 50769 1 128 . 1 . 1 124 124 ILE N N 15 124.961 0.013 . 1 . . . . . 250 ILE N . 50769 1 129 . 1 . 1 125 125 SER H H 1 8.428 0.012 . 1 . . . . . 251 SER H . 50769 1 130 . 1 . 1 125 125 SER N N 15 121.487 0.207 . 1 . . . . . 251 SER N . 50769 1 131 . 1 . 1 126 126 GLU H H 1 8.014 0.002 . 1 . . . . . 252 GLU H . 50769 1 132 . 1 . 1 126 126 GLU N N 15 124.057 0.010 . 1 . . . . . 252 GLU N . 50769 1 133 . 1 . 1 129 129 CYS H H 1 7.778 0.001 . 1 . . . . . 255 CYS H . 50769 1 134 . 1 . 1 129 129 CYS N N 15 121.266 0.010 . 1 . . . . . 255 CYS N . 50769 1 135 . 1 . 1 130 130 ALA H H 1 7.887 0.000 . 1 . . . . . 256 ALA H . 50769 1 136 . 1 . 1 130 130 ALA N N 15 132.226 0.000 . 1 . . . . . 256 ALA N . 50769 1 137 . 1 . 1 131 131 GLN H H 1 7.681 0.000 . 1 . . . . . 257 GLN H . 50769 1 138 . 1 . 1 131 131 GLN N N 15 118.585 0.019 . 1 . . . . . 257 GLN N . 50769 1 139 . 1 . 1 142 142 GLU H H 1 8.967 0.002 . 1 . . . . . 268 GLU H . 50769 1 140 . 1 . 1 142 142 GLU N N 15 117.126 0.018 . 1 . . . . . 268 GLU N . 50769 1 141 . 1 . 1 143 143 LEU H H 1 7.544 0.001 . 1 . . . . . 269 LEU H . 50769 1 142 . 1 . 1 143 143 LEU N N 15 119.911 0.011 . 1 . . . . . 269 LEU N . 50769 1 143 . 1 . 1 144 144 THR H H 1 8.075 0.000 . 1 . . . . . 270 THR H . 50769 1 144 . 1 . 1 144 144 THR N N 15 113.546 0.011 . 1 . . . . . 270 THR N . 50769 1 145 . 1 . 1 145 145 LEU H H 1 8.159 0.000 . 1 . . . . . 271 LEU H . 50769 1 146 . 1 . 1 145 145 LEU N N 15 120.936 0.016 . 1 . . . . . 271 LEU N . 50769 1 147 . 1 . 1 146 146 GLN H H 1 7.675 0.001 . 1 . . . . . 272 GLN H . 50769 1 148 . 1 . 1 146 146 GLN N N 15 119.663 0.018 . 1 . . . . . 272 GLN N . 50769 1 149 . 1 . 1 152 152 ARG H H 1 7.955 0.000 . 1 . . . . . 278 ARG H . 50769 1 150 . 1 . 1 152 152 ARG N N 15 117.852 0.009 . 1 . . . . . 278 ARG N . 50769 1 151 . 1 . 1 153 153 LYS H H 1 7.184 0.000 . 1 . . . . . 279 LYS H . 50769 1 152 . 1 . 1 153 153 LYS N N 15 118.793 0.000 . 1 . . . . . 279 LYS N . 50769 1 153 . 1 . 1 154 154 PHE H H 1 7.841 0.000 . 1 . . . . . 280 PHE H . 50769 1 154 . 1 . 1 154 154 PHE N N 15 115.252 0.000 . 1 . . . . . 280 PHE N . 50769 1 155 . 1 . 1 155 155 SER H H 1 7.787 0.005 . 1 . . . . . 281 SER H . 50769 1 156 . 1 . 1 155 155 SER N N 15 109.151 0.269 . 1 . . . . . 281 SER N . 50769 1 157 . 1 . 1 156 156 TYR H H 1 7.165 0.000 . 1 . . . . . 282 TYR H . 50769 1 158 . 1 . 1 156 156 TYR N N 15 126.951 0.007 . 1 . . . . . 282 TYR N . 50769 1 159 . 1 . 1 158 158 SER H H 1 8.086 0.000 . 1 . . . . . 284 SER H . 50769 1 160 . 1 . 1 158 158 SER N N 15 115.985 0.014 . 1 . . . . . 284 SER N . 50769 1 161 . 1 . 1 159 159 VAL H H 1 8.080 0.001 . 1 . . . . . 285 VAL H . 50769 1 162 . 1 . 1 159 159 VAL N N 15 111.970 0.004 . 1 . . . . . 285 VAL N . 50769 1 163 . 1 . 1 160 160 LEU H H 1 7.698 0.002 . 1 . . . . . 286 LEU H . 50769 1 164 . 1 . 1 160 160 LEU N N 15 117.932 0.008 . 1 . . . . . 286 LEU N . 50769 1 165 . 1 . 1 161 161 LYS H H 1 11.280 0.001 . 1 . . . . . 287 LYS H . 50769 1 166 . 1 . 1 161 161 LYS N N 15 127.256 0.004 . 1 . . . . . 287 LYS N . 50769 1 167 . 1 . 1 163 163 ALA H H 1 9.193 0.000 . 1 . . . . . 289 ALA H . 50769 1 168 . 1 . 1 163 163 ALA N N 15 130.361 0.006 . 1 . . . . . 289 ALA N . 50769 1 169 . 1 . 1 164 164 VAL H H 1 8.147 0.001 . 1 . . . . . 290 VAL H . 50769 1 170 . 1 . 1 164 164 VAL N N 15 118.171 0.007 . 1 . . . . . 290 VAL N . 50769 1 171 . 1 . 1 165 165 ALA H H 1 8.628 0.000 . 1 . . . . . 291 ALA H . 50769 1 172 . 1 . 1 165 165 ALA N N 15 127.365 0.007 . 1 . . . . . 291 ALA N . 50769 1 173 . 1 . 1 170 170 ALA H H 1 8.299 0.000 . 1 . . . . . 296 ALA H . 50769 1 174 . 1 . 1 170 170 ALA N N 15 124.734 0.000 . 1 . . . . . 296 ALA N . 50769 1 175 . 1 . 1 171 171 VAL H H 1 7.864 0.002 . 1 . . . . . 297 VAL H . 50769 1 176 . 1 . 1 171 171 VAL N N 15 119.698 0.000 . 1 . . . . . 297 VAL N . 50769 1 177 . 1 . 1 173 173 HIS H H 1 8.508 0.009 . 1 . . . . . 299 HIS H . 50769 1 178 . 1 . 1 173 173 HIS N N 15 125.157 0.035 . 1 . . . . . 299 HIS N . 50769 1 179 . 1 . 1 174 174 GLN H H 1 8.342 0.000 . 1 . . . . . 300 GLN H . 50769 1 180 . 1 . 1 174 174 GLN N N 15 119.729 0.007 . 1 . . . . . 300 GLN N . 50769 1 181 . 1 . 1 176 176 ASP H H 1 8.301 0.001 . 1 . . . . . 302 ASP H . 50769 1 182 . 1 . 1 176 176 ASP N N 15 121.023 0.008 . 1 . . . . . 302 ASP N . 50769 1 183 . 1 . 1 177 177 ASN H H 1 8.332 0.001 . 1 . . . . . 303 ASN H . 50769 1 184 . 1 . 1 177 177 ASN N N 15 118.668 0.004 . 1 . . . . . 303 ASN N . 50769 1 185 . 1 . 1 178 178 ILE H H 1 8.331 0.002 . 1 . . . . . 304 ILE H . 50769 1 186 . 1 . 1 178 178 ILE N N 15 123.570 0.010 . 1 . . . . . 304 ILE N . 50769 1 187 . 1 . 1 179 179 ALA H H 1 7.794 0.001 . 1 . . . . . 305 ALA H . 50769 1 188 . 1 . 1 179 179 ALA N N 15 120.665 0.008 . 1 . . . . . 305 ALA N . 50769 1 189 . 1 . 1 180 180 ARG H H 1 7.464 0.004 . 1 . . . . . 306 ARG H . 50769 1 190 . 1 . 1 180 180 ARG N N 15 115.269 0.008 . 1 . . . . . 306 ARG N . 50769 1 191 . 1 . 1 181 181 GLY H H 1 7.888 0.001 . 1 . . . . . 307 GLY H . 50769 1 192 . 1 . 1 181 181 GLY N N 15 108.612 0.001 . 1 . . . . . 307 GLY N . 50769 1 193 . 1 . 1 182 182 CYS H H 1 8.364 0.000 . 1 . . . . . 308 CYS H . 50769 1 194 . 1 . 1 182 182 CYS N N 15 116.783 0.000 . 1 . . . . . 308 CYS N . 50769 1 195 . 1 . 1 183 183 HIS H H 1 9.114 0.002 . 1 . . . . . 309 HIS H . 50769 1 196 . 1 . 1 183 183 HIS N N 15 122.417 0.009 . 1 . . . . . 309 HIS N . 50769 1 197 . 1 . 1 188 188 THR H H 1 7.521 0.002 . 1 . . . . . 314 THR H . 50769 1 198 . 1 . 1 188 188 THR N N 15 108.194 0.005 . 1 . . . . . 314 THR N . 50769 1 199 . 1 . 1 191 191 ARG H H 1 6.904 0.002 . 1 . . . . . 317 ARG H . 50769 1 200 . 1 . 1 191 191 ARG N N 15 119.976 0.019 . 1 . . . . . 317 ARG N . 50769 1 201 . 1 . 1 192 192 LEU H H 1 8.037 0.000 . 1 . . . . . 318 LEU H . 50769 1 202 . 1 . 1 192 192 LEU N N 15 119.277 0.010 . 1 . . . . . 318 LEU N . 50769 1 203 . 1 . 1 193 193 HIS H H 1 8.255 0.002 . 1 . . . . . 319 HIS H . 50769 1 204 . 1 . 1 193 193 HIS N N 15 117.210 0.006 . 1 . . . . . 319 HIS N . 50769 1 205 . 1 . 1 194 194 ASP H H 1 7.481 0.001 . 1 . . . . . 320 ASP H . 50769 1 206 . 1 . 1 194 194 ASP N N 15 117.954 0.020 . 1 . . . . . 320 ASP N . 50769 1 207 . 1 . 1 195 195 PHE H H 1 8.149 0.000 . 1 . . . . . 321 PHE H . 50769 1 208 . 1 . 1 195 195 PHE N N 15 116.025 0.012 . 1 . . . . . 321 PHE N . 50769 1 209 . 1 . 1 197 197 GLU H H 1 8.681 0.001 . 1 . . . . . 323 GLU H . 50769 1 210 . 1 . 1 197 197 GLU N N 15 122.336 0.007 . 1 . . . . . 323 GLU N . 50769 1 211 . 1 . 1 198 198 ARG H H 1 7.673 0.000 . 1 . . . . . 324 ARG H . 50769 1 212 . 1 . 1 198 198 ARG N N 15 114.209 0.013 . 1 . . . . . 324 ARG N . 50769 1 213 . 1 . 1 199 199 ASN H H 1 8.066 0.000 . 1 . . . . . 325 ASN H . 50769 1 214 . 1 . 1 199 199 ASN N N 15 115.427 0.010 . 1 . . . . . 325 ASN N . 50769 1 215 . 1 . 1 200 200 ARG H H 1 8.801 0.001 . 1 . . . . . 326 ARG H . 50769 1 216 . 1 . 1 200 200 ARG N N 15 112.216 0.018 . 1 . . . . . 326 ARG N . 50769 1 217 . 1 . 1 201 201 VAL H H 1 6.872 0.001 . 1 . . . . . 327 VAL H . 50769 1 218 . 1 . 1 201 201 VAL N N 15 116.919 0.005 . 1 . . . . . 327 VAL N . 50769 1 219 . 1 . 1 202 202 SER H H 1 8.308 0.001 . 1 . . . . . 328 SER H . 50769 1 220 . 1 . 1 202 202 SER N N 15 118.438 0.003 . 1 . . . . . 328 SER N . 50769 1 221 . 1 . 1 203 203 PHE H H 1 8.179 0.000 . 1 . . . . . 329 PHE H . 50769 1 222 . 1 . 1 203 203 PHE N N 15 118.361 0.037 . 1 . . . . . 329 PHE N . 50769 1 223 . 1 . 1 204 204 GLY H H 1 8.234 0.006 . 1 . . . . . 330 GLY H . 50769 1 224 . 1 . 1 204 204 GLY N N 15 104.904 0.012 . 1 . . . . . 330 GLY N . 50769 1 225 . 1 . 1 205 205 SER H H 1 8.983 0.000 . 1 . . . . . 331 SER H . 50769 1 226 . 1 . 1 205 205 SER N N 15 113.986 0.013 . 1 . . . . . 331 SER N . 50769 1 227 . 1 . 1 206 206 VAL H H 1 7.383 0.000 . 1 . . . . . 332 VAL H . 50769 1 228 . 1 . 1 206 206 VAL N N 15 122.615 0.009 . 1 . . . . . 332 VAL N . 50769 1 229 . 1 . 1 207 207 ARG H H 1 9.850 0.001 . 1 . . . . . 333 ARG H . 50769 1 230 . 1 . 1 207 207 ARG N N 15 124.533 0.005 . 1 . . . . . 333 ARG N . 50769 1 231 . 1 . 1 213 213 GLU H H 1 7.567 0.001 . 1 . . . . . 339 GLU H . 50769 1 232 . 1 . 1 213 213 GLU N N 15 118.013 0.015 . 1 . . . . . 339 GLU N . 50769 1 233 . 1 . 1 214 214 ALA H H 1 9.303 0.000 . 1 . . . . . 340 ALA H . 50769 1 234 . 1 . 1 214 214 ALA N N 15 119.439 0.018 . 1 . . . . . 340 ALA N . 50769 1 235 . 1 . 1 215 215 ASP H H 1 9.097 0.002 . 1 . . . . . 341 ASP H . 50769 1 236 . 1 . 1 215 215 ASP N N 15 113.580 0.012 . 1 . . . . . 341 ASP N . 50769 1 237 . 1 . 1 216 216 ARG H H 1 7.967 0.000 . 1 . . . . . 342 ARG H . 50769 1 238 . 1 . 1 216 216 ARG N N 15 124.266 0.006 . 1 . . . . . 342 ARG N . 50769 1 239 . 1 . 1 217 217 MET H H 1 8.659 0.000 . 1 . . . . . 343 MET H . 50769 1 240 . 1 . 1 217 217 MET N N 15 116.073 0.016 . 1 . . . . . 343 MET N . 50769 1 241 . 1 . 1 218 218 LEU H H 1 8.216 0.001 . 1 . . . . . 344 LEU H . 50769 1 242 . 1 . 1 218 218 LEU N N 15 119.378 0.013 . 1 . . . . . 344 LEU N . 50769 1 243 . 1 . 1 219 219 ASP H H 1 8.327 0.002 . 1 . . . . . 345 ASP H . 50769 1 244 . 1 . 1 219 219 ASP N N 15 123.001 0.007 . 1 . . . . . 345 ASP N . 50769 1 245 . 1 . 1 221 221 GLY H H 1 7.604 0.001 . 1 . . . . . 347 GLY H . 50769 1 246 . 1 . 1 221 221 GLY N N 15 105.034 0.014 . 1 . . . . . 347 GLY N . 50769 1 247 . 1 . 1 222 222 PHE H H 1 7.924 0.000 . 1 . . . . . 348 PHE H . 50769 1 248 . 1 . 1 222 222 PHE N N 15 115.022 0.008 . 1 . . . . . 348 PHE N . 50769 1 249 . 1 . 1 223 223 MET H H 1 9.185 0.002 . 1 . . . . . 349 MET H . 50769 1 250 . 1 . 1 223 223 MET N N 15 121.859 0.009 . 1 . . . . . 349 MET N . 50769 1 251 . 1 . 1 225 225 SER H H 1 7.692 0.002 . 1 . . . . . 351 SER H . 50769 1 252 . 1 . 1 225 225 SER N N 15 113.466 0.004 . 1 . . . . . 351 SER N . 50769 1 253 . 1 . 1 226 226 ILE H H 1 7.834 0.001 . 1 . . . . . 352 ILE H . 50769 1 254 . 1 . 1 226 226 ILE N N 15 122.851 0.007 . 1 . . . . . 352 ILE N . 50769 1 255 . 1 . 1 227 227 GLU H H 1 8.926 0.002 . 1 . . . . . 353 GLU H . 50769 1 256 . 1 . 1 227 227 GLU N N 15 120.208 0.009 . 1 . . . . . 353 GLU N . 50769 1 257 . 1 . 1 228 228 LYS H H 1 7.612 0.004 . 1 . . . . . 354 LYS H . 50769 1 258 . 1 . 1 228 228 LYS N N 15 116.490 0.009 . 1 . . . . . 354 LYS N . 50769 1 259 . 1 . 1 229 229 MET H H 1 7.208 0.002 . 1 . . . . . 355 MET H . 50769 1 260 . 1 . 1 229 229 MET N N 15 116.390 0.015 . 1 . . . . . 355 MET N . 50769 1 261 . 1 . 1 230 230 MET H H 1 8.009 0.001 . 1 . . . . . 356 MET H . 50769 1 262 . 1 . 1 230 230 MET N N 15 113.568 0.010 . 1 . . . . . 356 MET N . 50769 1 263 . 1 . 1 231 231 LEU H H 1 7.814 0.002 . 1 . . . . . 357 LEU H . 50769 1 264 . 1 . 1 231 231 LEU N N 15 115.975 0.016 . 1 . . . . . 357 LEU N . 50769 1 265 . 1 . 1 232 232 HIS H H 1 7.427 0.000 . 1 . . . . . 358 HIS H . 50769 1 266 . 1 . 1 232 232 HIS N N 15 125.136 0.008 . 1 . . . . . 358 HIS N . 50769 1 267 . 1 . 1 234 234 THR H H 1 8.828 0.001 . 1 . . . . . 360 THR H . 50769 1 268 . 1 . 1 234 234 THR N N 15 107.412 0.014 . 1 . . . . . 360 THR N . 50769 1 269 . 1 . 1 235 235 MET H H 1 8.099 0.001 . 1 . . . . . 361 MET H . 50769 1 270 . 1 . 1 235 235 MET N N 15 121.368 0.013 . 1 . . . . . 361 MET N . 50769 1 271 . 1 . 1 236 236 VAL H H 1 6.610 0.000 . 1 . . . . . 362 VAL H . 50769 1 272 . 1 . 1 236 236 VAL N N 15 126.824 0.001 . 1 . . . . . 362 VAL N . 50769 1 273 . 1 . 1 237 237 GLU H H 1 8.624 0.001 . 1 . . . . . 363 GLU H . 50769 1 274 . 1 . 1 237 237 GLU N N 15 123.232 0.003 . 1 . . . . . 363 GLU N . 50769 1 275 . 1 . 1 238 238 THR H H 1 8.368 0.002 . 1 . . . . . 364 THR H . 50769 1 276 . 1 . 1 238 238 THR N N 15 115.492 0.003 . 1 . . . . . 364 THR N . 50769 1 277 . 1 . 1 239 239 THR H H 1 7.443 0.002 . 1 . . . . . 365 THR H . 50769 1 278 . 1 . 1 239 239 THR N N 15 106.924 0.007 . 1 . . . . . 365 THR N . 50769 1 279 . 1 . 1 240 240 LYS H H 1 7.995 0.000 . 1 . . . . . 366 LYS H . 50769 1 280 . 1 . 1 240 240 LYS N N 15 120.116 0.014 . 1 . . . . . 366 LYS N . 50769 1 281 . 1 . 1 241 241 ARG H H 1 7.456 0.001 . 1 . . . . . 367 ARG H . 50769 1 282 . 1 . 1 241 241 ARG N N 15 116.971 0.010 . 1 . . . . . 367 ARG N . 50769 1 283 . 1 . 1 243 243 THR H H 1 8.944 0.001 . 1 . . . . . 369 THR H . 50769 1 284 . 1 . 1 243 243 THR N N 15 122.095 0.017 . 1 . . . . . 369 THR N . 50769 1 285 . 1 . 1 244 244 LEU H H 1 9.086 0.000 . 1 . . . . . 370 LEU H . 50769 1 286 . 1 . 1 244 244 LEU N N 15 123.925 0.010 . 1 . . . . . 370 LEU N . 50769 1 287 . 1 . 1 245 245 MET H H 1 8.895 0.000 . 1 . . . . . 371 MET H . 50769 1 288 . 1 . 1 245 245 MET N N 15 121.958 0.012 . 1 . . . . . 371 MET N . 50769 1 289 . 1 . 1 246 246 PHE H H 1 8.792 0.001 . 1 . . . . . 372 PHE H . 50769 1 290 . 1 . 1 246 246 PHE N N 15 120.134 0.010 . 1 . . . . . 372 PHE N . 50769 1 291 . 1 . 1 247 247 SER H H 1 8.802 0.002 . 1 . . . . . 373 SER H . 50769 1 292 . 1 . 1 247 247 SER N N 15 115.041 0.016 . 1 . . . . . 373 SER N . 50769 1 293 . 1 . 1 248 248 ALA H H 1 8.872 0.000 . 1 . . . . . 374 ALA H . 50769 1 294 . 1 . 1 248 248 ALA N N 15 127.608 0.005 . 1 . . . . . 374 ALA N . 50769 1 295 . 1 . 1 249 249 THR H H 1 7.655 0.000 . 1 . . . . . 375 THR H . 50769 1 296 . 1 . 1 249 249 THR N N 15 105.131 0.014 . 1 . . . . . 375 THR N . 50769 1 297 . 1 . 1 253 253 ASP H H 1 8.835 0.001 . 1 . . . . . 379 ASP H . 50769 1 298 . 1 . 1 253 253 ASP N N 15 114.624 0.004 . 1 . . . . . 379 ASP N . 50769 1 299 . 1 . 1 254 254 ILE H H 1 7.084 0.001 . 1 . . . . . 380 ILE H . 50769 1 300 . 1 . 1 254 254 ILE N N 15 119.134 0.000 . 1 . . . . . 380 ILE N . 50769 1 301 . 1 . 1 255 255 GLN H H 1 7.556 0.001 . 1 . . . . . 381 GLN H . 50769 1 302 . 1 . 1 255 255 GLN N N 15 121.829 0.000 . 1 . . . . . 381 GLN N . 50769 1 303 . 1 . 1 256 256 HIS H H 1 8.397 0.000 . 1 . . . . . 382 HIS H . 50769 1 304 . 1 . 1 256 256 HIS N N 15 116.998 0.000 . 1 . . . . . 382 HIS N . 50769 1 305 . 1 . 1 257 257 LEU H H 1 7.337 0.001 . 1 . . . . . 383 LEU H . 50769 1 306 . 1 . 1 257 257 LEU N N 15 120.799 0.008 . 1 . . . . . 383 LEU N . 50769 1 307 . 1 . 1 258 258 ALA H H 1 8.599 0.001 . 1 . . . . . 384 ALA H . 50769 1 308 . 1 . 1 258 258 ALA N N 15 121.573 0.010 . 1 . . . . . 384 ALA N . 50769 1 309 . 1 . 1 259 259 GLY H H 1 7.683 0.000 . 1 . . . . . 385 GLY H . 50769 1 310 . 1 . 1 259 259 GLY N N 15 101.452 0.003 . 1 . . . . . 385 GLY N . 50769 1 311 . 1 . 1 260 260 ARG H H 1 7.339 0.001 . 1 . . . . . 386 ARG H . 50769 1 312 . 1 . 1 260 260 ARG N N 15 117.925 0.012 . 1 . . . . . 386 ARG N . 50769 1 313 . 1 . 1 261 261 PHE H H 1 7.766 0.001 . 1 . . . . . 387 PHE H . 50769 1 314 . 1 . 1 261 261 PHE N N 15 114.488 0.007 . 1 . . . . . 387 PHE N . 50769 1 315 . 1 . 1 263 263 ASN H H 1 10.673 0.001 . 1 . . . . . 389 ASN H . 50769 1 316 . 1 . 1 263 263 ASN N N 15 121.922 0.004 . 1 . . . . . 389 ASN N . 50769 1 317 . 1 . 1 265 265 TYR H H 1 7.261 0.002 . 1 . . . . . 391 TYR H . 50769 1 318 . 1 . 1 265 265 TYR N N 15 113.453 0.009 . 1 . . . . . 391 TYR N . 50769 1 319 . 1 . 1 266 266 LEU H H 1 8.228 0.000 . 1 . . . . . 392 LEU H . 50769 1 320 . 1 . 1 266 266 LEU N N 15 121.115 0.007 . 1 . . . . . 392 LEU N . 50769 1 321 . 1 . 1 267 267 PHE H H 1 9.061 0.001 . 1 . . . . . 393 PHE H . 50769 1 322 . 1 . 1 267 267 PHE N N 15 125.746 0.009 . 1 . . . . . 393 PHE N . 50769 1 323 . 1 . 1 268 268 VAL H H 1 8.300 0.000 . 1 . . . . . 394 VAL H . 50769 1 324 . 1 . 1 268 268 VAL N N 15 125.572 0.009 . 1 . . . . . 394 VAL N . 50769 1 325 . 1 . 1 269 269 ALA H H 1 8.868 0.002 . 1 . . . . . 395 ALA H . 50769 1 326 . 1 . 1 269 269 ALA N N 15 127.360 0.001 . 1 . . . . . 395 ALA N . 50769 1 327 . 1 . 1 270 270 VAL H H 1 8.297 0.002 . 1 . . . . . 396 VAL H . 50769 1 328 . 1 . 1 270 270 VAL N N 15 120.557 0.009 . 1 . . . . . 396 VAL N . 50769 1 stop_ save_