data_26641 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26641 _Entry.Title ; Backbone assignments for E. coli MurD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-27 _Entry.Accession_date 2015-08-27 _Entry.Last_release_date 2015-12-17 _Entry.Original_release_date 2015-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Kenji Ogura . . . 26641 2 Hiroyuki Kumeta . . . 26641 3 Masashi Yokochi . . . 26641 4 Fuyuhiko Inagaki . . . 26641 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26641 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 371 26641 '1H chemical shifts' 371 26641 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 . . 2015-12-17 . original BMRB . 26641 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26641 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 2015 _Citation.Full_citation . _Citation.Title ; Ligand-driven conformational changes of MurD visualized by paramagnetic NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _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 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Tomohide Saio . . . 26641 1 2 Kenji Ogura . . . 26641 1 3 Hiroyuki Kumeta . . . 26641 1 4 Yoshihiro Kobashigawa . . . 26641 1 5 Kazumi Shimizu . . . 26641 1 6 Masashi Yokochi . . . 26641 1 7 Kota Kodama . . . 26641 1 8 Hiroto Yamaguchi . . . 26641 1 9 Hideki Tsujishita . . . 26641 1 10 Fuyuhiko Inagaki . . . 26641 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26641 _Assembly.ID 1 _Assembly.Name 'MurD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'MurD monomer' 1 $MurD A . yes native no no . . . 26641 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MurD _Entity.Sf_category entity _Entity.Sf_framecode MurD _Entity.Entry_ID 26641 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MurD _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 ; HMGSADYQGKNVVIIGLGLT GLSCVDFFLARGVTPRVMDT RMTPPGLDKLPEAVERHTGS LNDEWLMAADLIVASPGIAL AHPSLSAAADAGIEIVGDIE LFCREAQAPIVAITGSNGKS TVTTLVGEMAKAAGVNVGVG GNIGLPALMLLDDECELYVL ELSSFQLETTSSLQAVAATI LNVTEDHMDRYPFGLQQYRA AKLRIYENAKVCVVNADDAL TMPIRGADERCVSFGVNMGD YHLNHQQGETWLRVKGEKVL NVKEMKLSGQHNYTNALAAL ALADAAGLPRASSLKALTTF TGLPHRFEVVLEHNGVRWIN DSKATNVGSTEAALNGLHVD GTLHLLLGGDGKSADFSPLA RYLNGDNVRLYCFGRDGAQL AALRPEVAEQTETMEQAMRL LAPRVQPGDMVLLSPACASL DQFKNFEQRGNEFARLAKEL G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '"HMGS" at the N-terminus is cloning artifact. Ala right after "HMGS" is the first residue.' _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 441 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 -3 HIS . 26641 1 2 -2 MET . 26641 1 3 -1 GLY . 26641 1 4 0 SER . 26641 1 5 1 ALA . 26641 1 6 2 ASP . 26641 1 7 3 TYR . 26641 1 8 4 GLN . 26641 1 9 5 GLY . 26641 1 10 6 LYS . 26641 1 11 7 ASN . 26641 1 12 8 VAL . 26641 1 13 9 VAL . 26641 1 14 10 ILE . 26641 1 15 11 ILE . 26641 1 16 12 GLY . 26641 1 17 13 LEU . 26641 1 18 14 GLY . 26641 1 19 15 LEU . 26641 1 20 16 THR . 26641 1 21 17 GLY . 26641 1 22 18 LEU . 26641 1 23 19 SER . 26641 1 24 20 CYS . 26641 1 25 21 VAL . 26641 1 26 22 ASP . 26641 1 27 23 PHE . 26641 1 28 24 PHE . 26641 1 29 25 LEU . 26641 1 30 26 ALA . 26641 1 31 27 ARG . 26641 1 32 28 GLY . 26641 1 33 29 VAL . 26641 1 34 30 THR . 26641 1 35 31 PRO . 26641 1 36 32 ARG . 26641 1 37 33 VAL . 26641 1 38 34 MET . 26641 1 39 35 ASP . 26641 1 40 36 THR . 26641 1 41 37 ARG . 26641 1 42 38 MET . 26641 1 43 39 THR . 26641 1 44 40 PRO . 26641 1 45 41 PRO . 26641 1 46 42 GLY . 26641 1 47 43 LEU . 26641 1 48 44 ASP . 26641 1 49 45 LYS . 26641 1 50 46 LEU . 26641 1 51 47 PRO . 26641 1 52 48 GLU . 26641 1 53 49 ALA . 26641 1 54 50 VAL . 26641 1 55 51 GLU . 26641 1 56 52 ARG . 26641 1 57 53 HIS . 26641 1 58 54 THR . 26641 1 59 55 GLY . 26641 1 60 56 SER . 26641 1 61 57 LEU . 26641 1 62 58 ASN . 26641 1 63 59 ASP . 26641 1 64 60 GLU . 26641 1 65 61 TRP . 26641 1 66 62 LEU . 26641 1 67 63 MET . 26641 1 68 64 ALA . 26641 1 69 65 ALA . 26641 1 70 66 ASP . 26641 1 71 67 LEU . 26641 1 72 68 ILE . 26641 1 73 69 VAL . 26641 1 74 70 ALA . 26641 1 75 71 SER . 26641 1 76 72 PRO . 26641 1 77 73 GLY . 26641 1 78 74 ILE . 26641 1 79 75 ALA . 26641 1 80 76 LEU . 26641 1 81 77 ALA . 26641 1 82 78 HIS . 26641 1 83 79 PRO . 26641 1 84 80 SER . 26641 1 85 81 LEU . 26641 1 86 82 SER . 26641 1 87 83 ALA . 26641 1 88 84 ALA . 26641 1 89 85 ALA . 26641 1 90 86 ASP . 26641 1 91 87 ALA . 26641 1 92 88 GLY . 26641 1 93 89 ILE . 26641 1 94 90 GLU . 26641 1 95 91 ILE . 26641 1 96 92 VAL . 26641 1 97 93 GLY . 26641 1 98 94 ASP . 26641 1 99 95 ILE . 26641 1 100 96 GLU . 26641 1 101 97 LEU . 26641 1 102 98 PHE . 26641 1 103 99 CYS . 26641 1 104 100 ARG . 26641 1 105 101 GLU . 26641 1 106 102 ALA . 26641 1 107 103 GLN . 26641 1 108 104 ALA . 26641 1 109 105 PRO . 26641 1 110 106 ILE . 26641 1 111 107 VAL . 26641 1 112 108 ALA . 26641 1 113 109 ILE . 26641 1 114 110 THR . 26641 1 115 111 GLY . 26641 1 116 112 SER . 26641 1 117 113 ASN . 26641 1 118 114 GLY . 26641 1 119 115 LYS . 26641 1 120 116 SER . 26641 1 121 117 THR . 26641 1 122 118 VAL . 26641 1 123 119 THR . 26641 1 124 120 THR . 26641 1 125 121 LEU . 26641 1 126 122 VAL . 26641 1 127 123 GLY . 26641 1 128 124 GLU . 26641 1 129 125 MET . 26641 1 130 126 ALA . 26641 1 131 127 LYS . 26641 1 132 128 ALA . 26641 1 133 129 ALA . 26641 1 134 130 GLY . 26641 1 135 131 VAL . 26641 1 136 132 ASN . 26641 1 137 133 VAL . 26641 1 138 134 GLY . 26641 1 139 135 VAL . 26641 1 140 136 GLY . 26641 1 141 137 GLY . 26641 1 142 138 ASN . 26641 1 143 139 ILE . 26641 1 144 140 GLY . 26641 1 145 141 LEU . 26641 1 146 142 PRO . 26641 1 147 143 ALA . 26641 1 148 144 LEU . 26641 1 149 145 MET . 26641 1 150 146 LEU . 26641 1 151 147 LEU . 26641 1 152 148 ASP . 26641 1 153 149 ASP . 26641 1 154 150 GLU . 26641 1 155 151 CYS . 26641 1 156 152 GLU . 26641 1 157 153 LEU . 26641 1 158 154 TYR . 26641 1 159 155 VAL . 26641 1 160 156 LEU . 26641 1 161 157 GLU . 26641 1 162 158 LEU . 26641 1 163 159 SER . 26641 1 164 160 SER . 26641 1 165 161 PHE . 26641 1 166 162 GLN . 26641 1 167 163 LEU . 26641 1 168 164 GLU . 26641 1 169 165 THR . 26641 1 170 166 THR . 26641 1 171 167 SER . 26641 1 172 168 SER . 26641 1 173 169 LEU . 26641 1 174 170 GLN . 26641 1 175 171 ALA . 26641 1 176 172 VAL . 26641 1 177 173 ALA . 26641 1 178 174 ALA . 26641 1 179 175 THR . 26641 1 180 176 ILE . 26641 1 181 177 LEU . 26641 1 182 178 ASN . 26641 1 183 179 VAL . 26641 1 184 180 THR . 26641 1 185 181 GLU . 26641 1 186 182 ASP . 26641 1 187 183 HIS . 26641 1 188 184 MET . 26641 1 189 185 ASP . 26641 1 190 186 ARG . 26641 1 191 187 TYR . 26641 1 192 188 PRO . 26641 1 193 189 PHE . 26641 1 194 190 GLY . 26641 1 195 191 LEU . 26641 1 196 192 GLN . 26641 1 197 193 GLN . 26641 1 198 194 TYR . 26641 1 199 195 ARG . 26641 1 200 196 ALA . 26641 1 201 197 ALA . 26641 1 202 198 LYS . 26641 1 203 199 LEU . 26641 1 204 200 ARG . 26641 1 205 201 ILE . 26641 1 206 202 TYR . 26641 1 207 203 GLU . 26641 1 208 204 ASN . 26641 1 209 205 ALA . 26641 1 210 206 LYS . 26641 1 211 207 VAL . 26641 1 212 208 CYS . 26641 1 213 209 VAL . 26641 1 214 210 VAL . 26641 1 215 211 ASN . 26641 1 216 212 ALA . 26641 1 217 213 ASP . 26641 1 218 214 ASP . 26641 1 219 215 ALA . 26641 1 220 216 LEU . 26641 1 221 217 THR . 26641 1 222 218 MET . 26641 1 223 219 PRO . 26641 1 224 220 ILE . 26641 1 225 221 ARG . 26641 1 226 222 GLY . 26641 1 227 223 ALA . 26641 1 228 224 ASP . 26641 1 229 225 GLU . 26641 1 230 226 ARG . 26641 1 231 227 CYS . 26641 1 232 228 VAL . 26641 1 233 229 SER . 26641 1 234 230 PHE . 26641 1 235 231 GLY . 26641 1 236 232 VAL . 26641 1 237 233 ASN . 26641 1 238 234 MET . 26641 1 239 235 GLY . 26641 1 240 236 ASP . 26641 1 241 237 TYR . 26641 1 242 238 HIS . 26641 1 243 239 LEU . 26641 1 244 240 ASN . 26641 1 245 241 HIS . 26641 1 246 242 GLN . 26641 1 247 243 GLN . 26641 1 248 244 GLY . 26641 1 249 245 GLU . 26641 1 250 246 THR . 26641 1 251 247 TRP . 26641 1 252 248 LEU . 26641 1 253 249 ARG . 26641 1 254 250 VAL . 26641 1 255 251 LYS . 26641 1 256 252 GLY . 26641 1 257 253 GLU . 26641 1 258 254 LYS . 26641 1 259 255 VAL . 26641 1 260 256 LEU . 26641 1 261 257 ASN . 26641 1 262 258 VAL . 26641 1 263 259 LYS . 26641 1 264 260 GLU . 26641 1 265 261 MET . 26641 1 266 262 LYS . 26641 1 267 263 LEU . 26641 1 268 264 SER . 26641 1 269 265 GLY . 26641 1 270 266 GLN . 26641 1 271 267 HIS . 26641 1 272 268 ASN . 26641 1 273 269 TYR . 26641 1 274 270 THR . 26641 1 275 271 ASN . 26641 1 276 272 ALA . 26641 1 277 273 LEU . 26641 1 278 274 ALA . 26641 1 279 275 ALA . 26641 1 280 276 LEU . 26641 1 281 277 ALA . 26641 1 282 278 LEU . 26641 1 283 279 ALA . 26641 1 284 280 ASP . 26641 1 285 281 ALA . 26641 1 286 282 ALA . 26641 1 287 283 GLY . 26641 1 288 284 LEU . 26641 1 289 285 PRO . 26641 1 290 286 ARG . 26641 1 291 287 ALA . 26641 1 292 288 SER . 26641 1 293 289 SER . 26641 1 294 290 LEU . 26641 1 295 291 LYS . 26641 1 296 292 ALA . 26641 1 297 293 LEU . 26641 1 298 294 THR . 26641 1 299 295 THR . 26641 1 300 296 PHE . 26641 1 301 297 THR . 26641 1 302 298 GLY . 26641 1 303 299 LEU . 26641 1 304 300 PRO . 26641 1 305 301 HIS . 26641 1 306 302 ARG . 26641 1 307 303 PHE . 26641 1 308 304 GLU . 26641 1 309 305 VAL . 26641 1 310 306 VAL . 26641 1 311 307 LEU . 26641 1 312 308 GLU . 26641 1 313 309 HIS . 26641 1 314 310 ASN . 26641 1 315 311 GLY . 26641 1 316 312 VAL . 26641 1 317 313 ARG . 26641 1 318 314 TRP . 26641 1 319 315 ILE . 26641 1 320 316 ASN . 26641 1 321 317 ASP . 26641 1 322 318 SER . 26641 1 323 319 LYS . 26641 1 324 320 ALA . 26641 1 325 321 THR . 26641 1 326 322 ASN . 26641 1 327 323 VAL . 26641 1 328 324 GLY . 26641 1 329 325 SER . 26641 1 330 326 THR . 26641 1 331 327 GLU . 26641 1 332 328 ALA . 26641 1 333 329 ALA . 26641 1 334 330 LEU . 26641 1 335 331 ASN . 26641 1 336 332 GLY . 26641 1 337 333 LEU . 26641 1 338 334 HIS . 26641 1 339 335 VAL . 26641 1 340 336 ASP . 26641 1 341 337 GLY . 26641 1 342 338 THR . 26641 1 343 339 LEU . 26641 1 344 340 HIS . 26641 1 345 341 LEU . 26641 1 346 342 LEU . 26641 1 347 343 LEU . 26641 1 348 344 GLY . 26641 1 349 345 GLY . 26641 1 350 346 ASP . 26641 1 351 347 GLY . 26641 1 352 348 LYS . 26641 1 353 349 SER . 26641 1 354 350 ALA . 26641 1 355 351 ASP . 26641 1 356 352 PHE . 26641 1 357 353 SER . 26641 1 358 354 PRO . 26641 1 359 355 LEU . 26641 1 360 356 ALA . 26641 1 361 357 ARG . 26641 1 362 358 TYR . 26641 1 363 359 LEU . 26641 1 364 360 ASN . 26641 1 365 361 GLY . 26641 1 366 362 ASP . 26641 1 367 363 ASN . 26641 1 368 364 VAL . 26641 1 369 365 ARG . 26641 1 370 366 LEU . 26641 1 371 367 TYR . 26641 1 372 368 CYS . 26641 1 373 369 PHE . 26641 1 374 370 GLY . 26641 1 375 371 ARG . 26641 1 376 372 ASP . 26641 1 377 373 GLY . 26641 1 378 374 ALA . 26641 1 379 375 GLN . 26641 1 380 376 LEU . 26641 1 381 377 ALA . 26641 1 382 378 ALA . 26641 1 383 379 LEU . 26641 1 384 380 ARG . 26641 1 385 381 PRO . 26641 1 386 382 GLU . 26641 1 387 383 VAL . 26641 1 388 384 ALA . 26641 1 389 385 GLU . 26641 1 390 386 GLN . 26641 1 391 387 THR . 26641 1 392 388 GLU . 26641 1 393 389 THR . 26641 1 394 390 MET . 26641 1 395 391 GLU . 26641 1 396 392 GLN . 26641 1 397 393 ALA . 26641 1 398 394 MET . 26641 1 399 395 ARG . 26641 1 400 396 LEU . 26641 1 401 397 LEU . 26641 1 402 398 ALA . 26641 1 403 399 PRO . 26641 1 404 400 ARG . 26641 1 405 401 VAL . 26641 1 406 402 GLN . 26641 1 407 403 PRO . 26641 1 408 404 GLY . 26641 1 409 405 ASP . 26641 1 410 406 MET . 26641 1 411 407 VAL . 26641 1 412 408 LEU . 26641 1 413 409 LEU . 26641 1 414 410 SER . 26641 1 415 411 PRO . 26641 1 416 412 ALA . 26641 1 417 413 CYS . 26641 1 418 414 ALA . 26641 1 419 415 SER . 26641 1 420 416 LEU . 26641 1 421 417 ASP . 26641 1 422 418 GLN . 26641 1 423 419 PHE . 26641 1 424 420 LYS . 26641 1 425 421 ASN . 26641 1 426 422 PHE . 26641 1 427 423 GLU . 26641 1 428 424 GLN . 26641 1 429 425 ARG . 26641 1 430 426 GLY . 26641 1 431 427 ASN . 26641 1 432 428 GLU . 26641 1 433 429 PHE . 26641 1 434 430 ALA . 26641 1 435 431 ARG . 26641 1 436 432 LEU . 26641 1 437 433 ALA . 26641 1 438 434 LYS . 26641 1 439 435 GLU . 26641 1 440 436 LEU . 26641 1 441 437 GLY . 26641 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 . HIS 1 1 26641 1 . MET 2 2 26641 1 . GLY 3 3 26641 1 . SER 4 4 26641 1 . ALA 5 5 26641 1 . ASP 6 6 26641 1 . TYR 7 7 26641 1 . GLN 8 8 26641 1 . GLY 9 9 26641 1 . LYS 10 10 26641 1 . ASN 11 11 26641 1 . VAL 12 12 26641 1 . VAL 13 13 26641 1 . ILE 14 14 26641 1 . ILE 15 15 26641 1 . GLY 16 16 26641 1 . LEU 17 17 26641 1 . GLY 18 18 26641 1 . LEU 19 19 26641 1 . THR 20 20 26641 1 . GLY 21 21 26641 1 . LEU 22 22 26641 1 . SER 23 23 26641 1 . CYS 24 24 26641 1 . VAL 25 25 26641 1 . ASP 26 26 26641 1 . PHE 27 27 26641 1 . PHE 28 28 26641 1 . LEU 29 29 26641 1 . ALA 30 30 26641 1 . ARG 31 31 26641 1 . GLY 32 32 26641 1 . VAL 33 33 26641 1 . THR 34 34 26641 1 . PRO 35 35 26641 1 . ARG 36 36 26641 1 . VAL 37 37 26641 1 . MET 38 38 26641 1 . ASP 39 39 26641 1 . THR 40 40 26641 1 . ARG 41 41 26641 1 . MET 42 42 26641 1 . THR 43 43 26641 1 . PRO 44 44 26641 1 . PRO 45 45 26641 1 . GLY 46 46 26641 1 . LEU 47 47 26641 1 . ASP 48 48 26641 1 . LYS 49 49 26641 1 . LEU 50 50 26641 1 . PRO 51 51 26641 1 . GLU 52 52 26641 1 . ALA 53 53 26641 1 . VAL 54 54 26641 1 . GLU 55 55 26641 1 . ARG 56 56 26641 1 . HIS 57 57 26641 1 . THR 58 58 26641 1 . GLY 59 59 26641 1 . SER 60 60 26641 1 . LEU 61 61 26641 1 . ASN 62 62 26641 1 . ASP 63 63 26641 1 . GLU 64 64 26641 1 . TRP 65 65 26641 1 . LEU 66 66 26641 1 . MET 67 67 26641 1 . ALA 68 68 26641 1 . ALA 69 69 26641 1 . ASP 70 70 26641 1 . LEU 71 71 26641 1 . ILE 72 72 26641 1 . VAL 73 73 26641 1 . ALA 74 74 26641 1 . SER 75 75 26641 1 . PRO 76 76 26641 1 . GLY 77 77 26641 1 . ILE 78 78 26641 1 . ALA 79 79 26641 1 . LEU 80 80 26641 1 . ALA 81 81 26641 1 . HIS 82 82 26641 1 . PRO 83 83 26641 1 . SER 84 84 26641 1 . LEU 85 85 26641 1 . SER 86 86 26641 1 . ALA 87 87 26641 1 . ALA 88 88 26641 1 . ALA 89 89 26641 1 . ASP 90 90 26641 1 . ALA 91 91 26641 1 . GLY 92 92 26641 1 . ILE 93 93 26641 1 . GLU 94 94 26641 1 . ILE 95 95 26641 1 . VAL 96 96 26641 1 . GLY 97 97 26641 1 . ASP 98 98 26641 1 . ILE 99 99 26641 1 . GLU 100 100 26641 1 . LEU 101 101 26641 1 . PHE 102 102 26641 1 . CYS 103 103 26641 1 . ARG 104 104 26641 1 . GLU 105 105 26641 1 . ALA 106 106 26641 1 . GLN 107 107 26641 1 . ALA 108 108 26641 1 . PRO 109 109 26641 1 . ILE 110 110 26641 1 . VAL 111 111 26641 1 . ALA 112 112 26641 1 . ILE 113 113 26641 1 . THR 114 114 26641 1 . GLY 115 115 26641 1 . SER 116 116 26641 1 . ASN 117 117 26641 1 . GLY 118 118 26641 1 . LYS 119 119 26641 1 . SER 120 120 26641 1 . THR 121 121 26641 1 . VAL 122 122 26641 1 . THR 123 123 26641 1 . THR 124 124 26641 1 . LEU 125 125 26641 1 . VAL 126 126 26641 1 . GLY 127 127 26641 1 . GLU 128 128 26641 1 . MET 129 129 26641 1 . ALA 130 130 26641 1 . LYS 131 131 26641 1 . ALA 132 132 26641 1 . ALA 133 133 26641 1 . GLY 134 134 26641 1 . VAL 135 135 26641 1 . ASN 136 136 26641 1 . VAL 137 137 26641 1 . GLY 138 138 26641 1 . VAL 139 139 26641 1 . GLY 140 140 26641 1 . GLY 141 141 26641 1 . ASN 142 142 26641 1 . ILE 143 143 26641 1 . GLY 144 144 26641 1 . LEU 145 145 26641 1 . PRO 146 146 26641 1 . ALA 147 147 26641 1 . LEU 148 148 26641 1 . MET 149 149 26641 1 . LEU 150 150 26641 1 . LEU 151 151 26641 1 . ASP 152 152 26641 1 . ASP 153 153 26641 1 . GLU 154 154 26641 1 . CYS 155 155 26641 1 . GLU 156 156 26641 1 . LEU 157 157 26641 1 . TYR 158 158 26641 1 . VAL 159 159 26641 1 . LEU 160 160 26641 1 . GLU 161 161 26641 1 . LEU 162 162 26641 1 . SER 163 163 26641 1 . SER 164 164 26641 1 . PHE 165 165 26641 1 . GLN 166 166 26641 1 . LEU 167 167 26641 1 . GLU 168 168 26641 1 . THR 169 169 26641 1 . THR 170 170 26641 1 . SER 171 171 26641 1 . SER 172 172 26641 1 . LEU 173 173 26641 1 . GLN 174 174 26641 1 . ALA 175 175 26641 1 . VAL 176 176 26641 1 . ALA 177 177 26641 1 . ALA 178 178 26641 1 . THR 179 179 26641 1 . ILE 180 180 26641 1 . LEU 181 181 26641 1 . ASN 182 182 26641 1 . VAL 183 183 26641 1 . THR 184 184 26641 1 . GLU 185 185 26641 1 . ASP 186 186 26641 1 . HIS 187 187 26641 1 . MET 188 188 26641 1 . ASP 189 189 26641 1 . ARG 190 190 26641 1 . TYR 191 191 26641 1 . PRO 192 192 26641 1 . PHE 193 193 26641 1 . GLY 194 194 26641 1 . LEU 195 195 26641 1 . GLN 196 196 26641 1 . GLN 197 197 26641 1 . TYR 198 198 26641 1 . ARG 199 199 26641 1 . ALA 200 200 26641 1 . ALA 201 201 26641 1 . LYS 202 202 26641 1 . LEU 203 203 26641 1 . ARG 204 204 26641 1 . ILE 205 205 26641 1 . TYR 206 206 26641 1 . GLU 207 207 26641 1 . ASN 208 208 26641 1 . ALA 209 209 26641 1 . LYS 210 210 26641 1 . VAL 211 211 26641 1 . CYS 212 212 26641 1 . VAL 213 213 26641 1 . VAL 214 214 26641 1 . ASN 215 215 26641 1 . ALA 216 216 26641 1 . ASP 217 217 26641 1 . ASP 218 218 26641 1 . ALA 219 219 26641 1 . LEU 220 220 26641 1 . THR 221 221 26641 1 . MET 222 222 26641 1 . PRO 223 223 26641 1 . ILE 224 224 26641 1 . ARG 225 225 26641 1 . GLY 226 226 26641 1 . ALA 227 227 26641 1 . ASP 228 228 26641 1 . GLU 229 229 26641 1 . ARG 230 230 26641 1 . CYS 231 231 26641 1 . VAL 232 232 26641 1 . SER 233 233 26641 1 . PHE 234 234 26641 1 . GLY 235 235 26641 1 . VAL 236 236 26641 1 . ASN 237 237 26641 1 . MET 238 238 26641 1 . GLY 239 239 26641 1 . ASP 240 240 26641 1 . TYR 241 241 26641 1 . HIS 242 242 26641 1 . LEU 243 243 26641 1 . ASN 244 244 26641 1 . HIS 245 245 26641 1 . GLN 246 246 26641 1 . GLN 247 247 26641 1 . GLY 248 248 26641 1 . GLU 249 249 26641 1 . THR 250 250 26641 1 . TRP 251 251 26641 1 . LEU 252 252 26641 1 . ARG 253 253 26641 1 . VAL 254 254 26641 1 . LYS 255 255 26641 1 . GLY 256 256 26641 1 . GLU 257 257 26641 1 . LYS 258 258 26641 1 . VAL 259 259 26641 1 . LEU 260 260 26641 1 . ASN 261 261 26641 1 . VAL 262 262 26641 1 . LYS 263 263 26641 1 . GLU 264 264 26641 1 . MET 265 265 26641 1 . LYS 266 266 26641 1 . LEU 267 267 26641 1 . SER 268 268 26641 1 . GLY 269 269 26641 1 . GLN 270 270 26641 1 . HIS 271 271 26641 1 . ASN 272 272 26641 1 . TYR 273 273 26641 1 . THR 274 274 26641 1 . ASN 275 275 26641 1 . ALA 276 276 26641 1 . LEU 277 277 26641 1 . ALA 278 278 26641 1 . ALA 279 279 26641 1 . LEU 280 280 26641 1 . ALA 281 281 26641 1 . LEU 282 282 26641 1 . ALA 283 283 26641 1 . ASP 284 284 26641 1 . ALA 285 285 26641 1 . ALA 286 286 26641 1 . GLY 287 287 26641 1 . LEU 288 288 26641 1 . PRO 289 289 26641 1 . ARG 290 290 26641 1 . ALA 291 291 26641 1 . SER 292 292 26641 1 . SER 293 293 26641 1 . LEU 294 294 26641 1 . LYS 295 295 26641 1 . ALA 296 296 26641 1 . LEU 297 297 26641 1 . THR 298 298 26641 1 . THR 299 299 26641 1 . PHE 300 300 26641 1 . THR 301 301 26641 1 . GLY 302 302 26641 1 . LEU 303 303 26641 1 . PRO 304 304 26641 1 . HIS 305 305 26641 1 . ARG 306 306 26641 1 . PHE 307 307 26641 1 . GLU 308 308 26641 1 . VAL 309 309 26641 1 . VAL 310 310 26641 1 . LEU 311 311 26641 1 . GLU 312 312 26641 1 . HIS 313 313 26641 1 . ASN 314 314 26641 1 . GLY 315 315 26641 1 . VAL 316 316 26641 1 . ARG 317 317 26641 1 . TRP 318 318 26641 1 . ILE 319 319 26641 1 . ASN 320 320 26641 1 . ASP 321 321 26641 1 . SER 322 322 26641 1 . LYS 323 323 26641 1 . ALA 324 324 26641 1 . THR 325 325 26641 1 . ASN 326 326 26641 1 . VAL 327 327 26641 1 . GLY 328 328 26641 1 . SER 329 329 26641 1 . THR 330 330 26641 1 . GLU 331 331 26641 1 . ALA 332 332 26641 1 . ALA 333 333 26641 1 . LEU 334 334 26641 1 . ASN 335 335 26641 1 . GLY 336 336 26641 1 . LEU 337 337 26641 1 . HIS 338 338 26641 1 . VAL 339 339 26641 1 . ASP 340 340 26641 1 . GLY 341 341 26641 1 . THR 342 342 26641 1 . LEU 343 343 26641 1 . HIS 344 344 26641 1 . LEU 345 345 26641 1 . LEU 346 346 26641 1 . LEU 347 347 26641 1 . GLY 348 348 26641 1 . GLY 349 349 26641 1 . ASP 350 350 26641 1 . GLY 351 351 26641 1 . LYS 352 352 26641 1 . SER 353 353 26641 1 . ALA 354 354 26641 1 . ASP 355 355 26641 1 . PHE 356 356 26641 1 . SER 357 357 26641 1 . PRO 358 358 26641 1 . LEU 359 359 26641 1 . ALA 360 360 26641 1 . ARG 361 361 26641 1 . TYR 362 362 26641 1 . LEU 363 363 26641 1 . ASN 364 364 26641 1 . GLY 365 365 26641 1 . ASP 366 366 26641 1 . ASN 367 367 26641 1 . VAL 368 368 26641 1 . ARG 369 369 26641 1 . LEU 370 370 26641 1 . TYR 371 371 26641 1 . CYS 372 372 26641 1 . PHE 373 373 26641 1 . GLY 374 374 26641 1 . ARG 375 375 26641 1 . ASP 376 376 26641 1 . GLY 377 377 26641 1 . ALA 378 378 26641 1 . GLN 379 379 26641 1 . LEU 380 380 26641 1 . ALA 381 381 26641 1 . ALA 382 382 26641 1 . LEU 383 383 26641 1 . ARG 384 384 26641 1 . PRO 385 385 26641 1 . GLU 386 386 26641 1 . VAL 387 387 26641 1 . ALA 388 388 26641 1 . GLU 389 389 26641 1 . GLN 390 390 26641 1 . THR 391 391 26641 1 . GLU 392 392 26641 1 . THR 393 393 26641 1 . MET 394 394 26641 1 . GLU 395 395 26641 1 . GLN 396 396 26641 1 . ALA 397 397 26641 1 . MET 398 398 26641 1 . ARG 399 399 26641 1 . LEU 400 400 26641 1 . LEU 401 401 26641 1 . ALA 402 402 26641 1 . PRO 403 403 26641 1 . ARG 404 404 26641 1 . VAL 405 405 26641 1 . GLN 406 406 26641 1 . PRO 407 407 26641 1 . GLY 408 408 26641 1 . ASP 409 409 26641 1 . MET 410 410 26641 1 . VAL 411 411 26641 1 . LEU 412 412 26641 1 . LEU 413 413 26641 1 . SER 414 414 26641 1 . PRO 415 415 26641 1 . ALA 416 416 26641 1 . CYS 417 417 26641 1 . ALA 418 418 26641 1 . SER 419 419 26641 1 . LEU 420 420 26641 1 . ASP 421 421 26641 1 . GLN 422 422 26641 1 . PHE 423 423 26641 1 . LYS 424 424 26641 1 . ASN 425 425 26641 1 . PHE 426 426 26641 1 . GLU 427 427 26641 1 . GLN 428 428 26641 1 . ARG 429 429 26641 1 . GLY 430 430 26641 1 . ASN 431 431 26641 1 . GLU 432 432 26641 1 . PHE 433 433 26641 1 . ALA 434 434 26641 1 . ARG 435 435 26641 1 . LEU 436 436 26641 1 . ALA 437 437 26641 1 . LYS 438 438 26641 1 . GLU 439 439 26641 1 . LEU 440 440 26641 1 . GLY 441 441 26641 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26641 _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 $MurD . 562 organism . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26641 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26641 _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 $MurD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGBHPS . . 'Original vector' 26641 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26641 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 MurD '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $MurD . . 0.5 . . mM . . . . 26641 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26641 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26641 1 4 Tris-HCl 'natural abundance' . . . . . . 20 . . mM . . . . 26641 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 26641 1 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26641 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 26641 _Sample_condition_list.ID 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 'ionic strength' 0.2 . M 26641 1 pH 7.2 . pH 26641 1 pressure 1 . atm 26641 1 temperature 308 . K 26641 1 stop_ save_ ############################ # Computer software used # ############################ save_OLIVIA _Software.Sf_category software _Software.Sf_framecode OLIVIA _Software.Entry_ID 26641 _Software.ID 1 _Software.Name OLIVIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Masashi Yokochi' . http://fermi.pharm.hokudai.ac.jp/olivia/ 26641 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26641 1 'data analysis' 26641 1 'peak picking' 26641 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26641 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26641 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Unity Inova' . 800 . . . 26641 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26641 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 2 TROSY-HN(CO)CA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 3 TROSY-HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 4 TROSY-HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 5 TROSY-HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 6 TROSY-HN(COCA)CB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 8 TROSY-HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26641 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26641 _Chem_shift_reference.ID 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26641 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26641 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26641 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY-HSQC' . . . 26641 1 2 TROSY-HN(CO)CA . . . 26641 1 3 TROSY-HNCA . . . 26641 1 5 TROSY-HNCO . . . 26641 1 6 TROSY-HN(COCA)CB . . . 26641 1 7 '3D 1H-15N NOESY' . . . 26641 1 8 TROSY-HNCACB . . . 26641 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 MET H H 1 8.252 0.005 . 1 . . . . -2 MET H . 26641 1 2 . 1 1 2 2 MET N N 15 123.570 0.05 . 1 . . . . -2 MET N . 26641 1 3 . 1 1 3 3 GLY H H 1 8.297 0.005 . 1 . . . . -1 GLY H . 26641 1 4 . 1 1 3 3 GLY N N 15 110.824 0.05 . 1 . . . . -1 GLY N . 26641 1 5 . 1 1 4 4 SER H H 1 8.258 0.005 . 1 . . . . 0 SER H . 26641 1 6 . 1 1 4 4 SER N N 15 116.130 0.05 . 1 . . . . 0 SER N . 26641 1 7 . 1 1 5 5 ALA H H 1 8.291 0.005 . 1 . . . . 1 ALA H . 26641 1 8 . 1 1 5 5 ALA N N 15 126.673 0.05 . 1 . . . . 1 ALA N . 26641 1 9 . 1 1 6 6 ASP H H 1 7.774 0.005 . 1 . . . . 2 ASP H . 26641 1 10 . 1 1 6 6 ASP N N 15 120.039 0.05 . 1 . . . . 2 ASP N . 26641 1 11 . 1 1 7 7 TYR H H 1 8.477 0.005 . 1 . . . . 3 TYR H . 26641 1 12 . 1 1 7 7 TYR N N 15 121.586 0.05 . 1 . . . . 3 TYR N . 26641 1 13 . 1 1 8 8 GLN H H 1 7.747 0.005 . 1 . . . . 4 GLN H . 26641 1 14 . 1 1 8 8 GLN N N 15 118.201 0.05 . 1 . . . . 4 GLN N . 26641 1 15 . 1 1 9 9 GLY H H 1 8.745 0.005 . 1 . . . . 5 GLY H . 26641 1 16 . 1 1 9 9 GLY N N 15 112.376 0.05 . 1 . . . . 5 GLY N . 26641 1 17 . 1 1 10 10 LYS H H 1 7.651 0.005 . 1 . . . . 6 LYS H . 26641 1 18 . 1 1 10 10 LYS N N 15 118.969 0.05 . 1 . . . . 6 LYS N . 26641 1 19 . 1 1 11 11 ASN H H 1 10.177 0.005 . 1 . . . . 7 ASN H . 26641 1 20 . 1 1 11 11 ASN N N 15 123.356 0.05 . 1 . . . . 7 ASN N . 26641 1 21 . 1 1 12 12 VAL H H 1 8.657 0.005 . 1 . . . . 8 VAL H . 26641 1 22 . 1 1 12 12 VAL N N 15 128.707 0.05 . 1 . . . . 8 VAL N . 26641 1 23 . 1 1 13 13 VAL H H 1 8.513 0.005 . 1 . . . . 9 VAL H . 26641 1 24 . 1 1 13 13 VAL N N 15 127.705 0.05 . 1 . . . . 9 VAL N . 26641 1 25 . 1 1 14 14 ILE H H 1 8.948 0.005 . 1 . . . . 10 ILE H . 26641 1 26 . 1 1 14 14 ILE N N 15 128.214 0.05 . 1 . . . . 10 ILE N . 26641 1 27 . 1 1 15 15 ILE H H 1 9.193 0.005 . 1 . . . . 11 ILE H . 26641 1 28 . 1 1 15 15 ILE N N 15 126.247 0.05 . 1 . . . . 11 ILE N . 26641 1 29 . 1 1 16 16 GLY H H 1 9.184 0.005 . 1 . . . . 12 GLY H . 26641 1 30 . 1 1 16 16 GLY N N 15 118.132 0.05 . 1 . . . . 12 GLY N . 26641 1 31 . 1 1 17 17 LEU H H 1 9.070 0.005 . 1 . . . . 13 LEU H . 26641 1 32 . 1 1 17 17 LEU N N 15 126.819 0.05 . 1 . . . . 13 LEU N . 26641 1 33 . 1 1 18 18 GLY H H 1 7.998 0.005 . 1 . . . . 14 GLY H . 26641 1 34 . 1 1 18 18 GLY N N 15 111.055 0.05 . 1 . . . . 14 GLY N . 26641 1 35 . 1 1 21 21 GLY H H 1 7.715 0.005 . 1 . . . . 17 GLY H . 26641 1 36 . 1 1 21 21 GLY N N 15 113.793 0.05 . 1 . . . . 17 GLY N . 26641 1 37 . 1 1 22 22 LEU H H 1 8.519 0.005 . 1 . . . . 18 LEU H . 26641 1 38 . 1 1 22 22 LEU N N 15 122.597 0.05 . 1 . . . . 18 LEU N . 26641 1 39 . 1 1 23 23 SER H H 1 8.282 0.005 . 1 . . . . 19 SER H . 26641 1 40 . 1 1 23 23 SER N N 15 116.048 0.05 . 1 . . . . 19 SER N . 26641 1 41 . 1 1 24 24 CYS H H 1 7.401 0.005 . 1 . . . . 20 CYS H . 26641 1 42 . 1 1 24 24 CYS N N 15 122.756 0.05 . 1 . . . . 20 CYS N . 26641 1 43 . 1 1 25 25 VAL H H 1 8.281 0.005 . 1 . . . . 21 VAL H . 26641 1 44 . 1 1 25 25 VAL N N 15 122.750 0.05 . 1 . . . . 21 VAL N . 26641 1 45 . 1 1 26 26 ASP H H 1 8.123 0.005 . 1 . . . . 22 ASP H . 26641 1 46 . 1 1 26 26 ASP N N 15 118.708 0.05 . 1 . . . . 22 ASP N . 26641 1 47 . 1 1 27 27 PHE H H 1 7.555 0.005 . 1 . . . . 23 PHE H . 26641 1 48 . 1 1 27 27 PHE N N 15 121.094 0.05 . 1 . . . . 23 PHE N . 26641 1 49 . 1 1 28 28 PHE H H 1 7.918 0.005 . 1 . . . . 24 PHE H . 26641 1 50 . 1 1 28 28 PHE N N 15 117.934 0.05 . 1 . . . . 24 PHE N . 26641 1 51 . 1 1 29 29 LEU H H 1 8.809 0.005 . 1 . . . . 25 LEU H . 26641 1 52 . 1 1 29 29 LEU N N 15 122.590 0.05 . 1 . . . . 25 LEU N . 26641 1 53 . 1 1 30 30 ALA H H 1 7.778 0.005 . 1 . . . . 26 ALA H . 26641 1 54 . 1 1 30 30 ALA N N 15 120.940 0.05 . 1 . . . . 26 ALA N . 26641 1 55 . 1 1 31 31 ARG H H 1 7.368 0.005 . 1 . . . . 27 ARG H . 26641 1 56 . 1 1 31 31 ARG N N 15 117.687 0.05 . 1 . . . . 27 ARG N . 26641 1 57 . 1 1 32 32 GLY H H 1 7.635 0.005 . 1 . . . . 28 GLY H . 26641 1 58 . 1 1 32 32 GLY N N 15 106.917 0.05 . 1 . . . . 28 GLY N . 26641 1 59 . 1 1 33 33 VAL H H 1 8.078 0.005 . 1 . . . . 29 VAL H . 26641 1 60 . 1 1 33 33 VAL N N 15 123.878 0.05 . 1 . . . . 29 VAL N . 26641 1 61 . 1 1 34 34 THR H H 1 8.623 0.005 . 1 . . . . 30 THR H . 26641 1 62 . 1 1 34 34 THR N N 15 123.353 0.05 . 1 . . . . 30 THR N . 26641 1 63 . 1 1 36 36 ARG H H 1 7.935 0.005 . 1 . . . . 32 ARG H . 26641 1 64 . 1 1 36 36 ARG N N 15 116.741 0.05 . 1 . . . . 32 ARG N . 26641 1 65 . 1 1 37 37 VAL H H 1 8.403 0.005 . 1 . . . . 33 VAL H . 26641 1 66 . 1 1 37 37 VAL N N 15 118.495 0.05 . 1 . . . . 33 VAL N . 26641 1 67 . 1 1 38 38 MET H H 1 9.130 0.005 . 1 . . . . 34 MET H . 26641 1 68 . 1 1 38 38 MET N N 15 121.714 0.05 . 1 . . . . 34 MET N . 26641 1 69 . 1 1 39 39 ASP H H 1 8.273 0.005 . 1 . . . . 35 ASP H . 26641 1 70 . 1 1 39 39 ASP N N 15 121.801 0.05 . 1 . . . . 35 ASP N . 26641 1 71 . 1 1 40 40 THR H H 1 8.240 0.005 . 1 . . . . 36 THR H . 26641 1 72 . 1 1 40 40 THR N N 15 116.129 0.05 . 1 . . . . 36 THR N . 26641 1 73 . 1 1 41 41 ARG H H 1 9.285 0.005 . 1 . . . . 37 ARG H . 26641 1 74 . 1 1 41 41 ARG N N 15 123.779 0.05 . 1 . . . . 37 ARG N . 26641 1 75 . 1 1 42 42 MET H H 1 8.343 0.005 . 1 . . . . 38 MET H . 26641 1 76 . 1 1 42 42 MET N N 15 120.468 0.05 . 1 . . . . 38 MET N . 26641 1 77 . 1 1 43 43 THR H H 1 8.229 0.005 . 1 . . . . 39 THR H . 26641 1 78 . 1 1 43 43 THR N N 15 111.243 0.05 . 1 . . . . 39 THR N . 26641 1 79 . 1 1 46 46 GLY H H 1 8.601 0.005 . 1 . . . . 42 GLY H . 26641 1 80 . 1 1 46 46 GLY N N 15 109.895 0.05 . 1 . . . . 42 GLY N . 26641 1 81 . 1 1 47 47 LEU H H 1 7.339 0.005 . 1 . . . . 43 LEU H . 26641 1 82 . 1 1 47 47 LEU N N 15 121.314 0.05 . 1 . . . . 43 LEU N . 26641 1 83 . 1 1 48 48 ASP H H 1 8.562 0.005 . 1 . . . . 44 ASP H . 26641 1 84 . 1 1 48 48 ASP N N 15 113.643 0.05 . 1 . . . . 44 ASP N . 26641 1 85 . 1 1 49 49 LYS H H 1 7.494 0.005 . 1 . . . . 45 LYS H . 26641 1 86 . 1 1 49 49 LYS N N 15 118.280 0.05 . 1 . . . . 45 LYS N . 26641 1 87 . 1 1 50 50 LEU H H 1 7.190 0.005 . 1 . . . . 46 LEU H . 26641 1 88 . 1 1 50 50 LEU N N 15 121.724 0.05 . 1 . . . . 46 LEU N . 26641 1 89 . 1 1 52 52 GLU H H 1 8.611 0.005 . 1 . . . . 48 GLU H . 26641 1 90 . 1 1 52 52 GLU N N 15 123.253 0.05 . 1 . . . . 48 GLU N . 26641 1 91 . 1 1 53 53 ALA H H 1 7.961 0.005 . 1 . . . . 49 ALA H . 26641 1 92 . 1 1 53 53 ALA N N 15 116.834 0.05 . 1 . . . . 49 ALA N . 26641 1 93 . 1 1 54 54 VAL H H 1 7.287 0.005 . 1 . . . . 50 VAL H . 26641 1 94 . 1 1 54 54 VAL N N 15 117.000 0.05 . 1 . . . . 50 VAL N . 26641 1 95 . 1 1 55 55 GLU H H 1 9.357 0.005 . 1 . . . . 51 GLU H . 26641 1 96 . 1 1 55 55 GLU N N 15 132.983 0.05 . 1 . . . . 51 GLU N . 26641 1 97 . 1 1 56 56 ARG H H 1 8.856 0.005 . 1 . . . . 52 ARG H . 26641 1 98 . 1 1 56 56 ARG N N 15 120.896 0.05 . 1 . . . . 52 ARG N . 26641 1 99 . 1 1 57 57 HIS H H 1 8.559 0.005 . 1 . . . . 53 HIS H . 26641 1 100 . 1 1 57 57 HIS N N 15 124.620 0.05 . 1 . . . . 53 HIS N . 26641 1 101 . 1 1 58 58 THR H H 1 7.986 0.005 . 1 . . . . 54 THR H . 26641 1 102 . 1 1 58 58 THR N N 15 116.695 0.05 . 1 . . . . 54 THR N . 26641 1 103 . 1 1 59 59 GLY H H 1 7.461 0.005 . 1 . . . . 55 GLY H . 26641 1 104 . 1 1 59 59 GLY N N 15 109.909 0.05 . 1 . . . . 55 GLY N . 26641 1 105 . 1 1 60 60 SER H H 1 7.636 0.005 . 1 . . . . 56 SER H . 26641 1 106 . 1 1 60 60 SER N N 15 109.270 0.05 . 1 . . . . 56 SER N . 26641 1 107 . 1 1 61 61 LEU H H 1 8.372 0.005 . 1 . . . . 57 LEU H . 26641 1 108 . 1 1 61 61 LEU N N 15 114.499 0.05 . 1 . . . . 57 LEU N . 26641 1 109 . 1 1 62 62 ASN H H 1 6.680 0.005 . 1 . . . . 58 ASN H . 26641 1 110 . 1 1 62 62 ASN N N 15 121.028 0.05 . 1 . . . . 58 ASN N . 26641 1 111 . 1 1 63 63 ASP H H 1 8.364 0.005 . 1 . . . . 59 ASP H . 26641 1 112 . 1 1 63 63 ASP N N 15 125.994 0.05 . 1 . . . . 59 ASP N . 26641 1 113 . 1 1 64 64 GLU H H 1 7.808 0.005 . 1 . . . . 60 GLU H . 26641 1 114 . 1 1 64 64 GLU N N 15 119.977 0.05 . 1 . . . . 60 GLU N . 26641 1 115 . 1 1 65 65 TRP H H 1 7.562 0.005 . 1 . . . . 61 TRP H . 26641 1 116 . 1 1 65 65 TRP N N 15 118.405 0.05 . 1 . . . . 61 TRP N . 26641 1 117 . 1 1 66 66 LEU H H 1 7.464 0.005 . 1 . . . . 62 LEU H . 26641 1 118 . 1 1 66 66 LEU N N 15 117.616 0.05 . 1 . . . . 62 LEU N . 26641 1 119 . 1 1 67 67 MET H H 1 7.613 0.005 . 1 . . . . 63 MET H . 26641 1 120 . 1 1 67 67 MET N N 15 110.601 0.05 . 1 . . . . 63 MET N . 26641 1 121 . 1 1 68 68 ALA H H 1 7.049 0.005 . 1 . . . . 64 ALA H . 26641 1 122 . 1 1 68 68 ALA N N 15 120.541 0.05 . 1 . . . . 64 ALA N . 26641 1 123 . 1 1 69 69 ALA H H 1 7.039 0.005 . 1 . . . . 65 ALA H . 26641 1 124 . 1 1 69 69 ALA N N 15 122.018 0.05 . 1 . . . . 65 ALA N . 26641 1 125 . 1 1 70 70 ASP H H 1 9.405 0.005 . 1 . . . . 66 ASP H . 26641 1 126 . 1 1 70 70 ASP N N 15 115.105 0.05 . 1 . . . . 66 ASP N . 26641 1 127 . 1 1 71 71 LEU H H 1 7.637 0.005 . 1 . . . . 67 LEU H . 26641 1 128 . 1 1 71 71 LEU N N 15 123.067 0.05 . 1 . . . . 67 LEU N . 26641 1 129 . 1 1 72 72 ILE H H 1 9.012 0.005 . 1 . . . . 68 ILE H . 26641 1 130 . 1 1 72 72 ILE N N 15 128.271 0.05 . 1 . . . . 68 ILE N . 26641 1 131 . 1 1 73 73 VAL H H 1 9.164 0.005 . 1 . . . . 69 VAL H . 26641 1 132 . 1 1 73 73 VAL N N 15 128.005 0.05 . 1 . . . . 69 VAL N . 26641 1 133 . 1 1 74 74 ALA H H 1 9.199 0.005 . 1 . . . . 70 ALA H . 26641 1 134 . 1 1 74 74 ALA N N 15 129.825 0.05 . 1 . . . . 70 ALA N . 26641 1 135 . 1 1 75 75 SER H H 1 7.683 0.005 . 1 . . . . 71 SER H . 26641 1 136 . 1 1 75 75 SER N N 15 119.816 0.05 . 1 . . . . 71 SER N . 26641 1 137 . 1 1 77 77 GLY H H 1 8.077 0.005 . 1 . . . . 73 GLY H . 26641 1 138 . 1 1 77 77 GLY N N 15 106.048 0.05 . 1 . . . . 73 GLY N . 26641 1 139 . 1 1 78 78 ILE H H 1 7.349 0.005 . 1 . . . . 74 ILE H . 26641 1 140 . 1 1 78 78 ILE N N 15 121.872 0.05 . 1 . . . . 74 ILE N . 26641 1 141 . 1 1 79 79 ALA H H 1 8.043 0.005 . 1 . . . . 75 ALA H . 26641 1 142 . 1 1 79 79 ALA N N 15 128.500 0.05 . 1 . . . . 75 ALA N . 26641 1 143 . 1 1 80 80 LEU H H 1 8.882 0.005 . 1 . . . . 76 LEU H . 26641 1 144 . 1 1 80 80 LEU N N 15 123.963 0.05 . 1 . . . . 76 LEU N . 26641 1 145 . 1 1 81 81 ALA H H 1 7.275 0.005 . 1 . . . . 77 ALA H . 26641 1 146 . 1 1 81 81 ALA N N 15 115.121 0.05 . 1 . . . . 77 ALA N . 26641 1 147 . 1 1 82 82 HIS H H 1 7.992 0.005 . 1 . . . . 78 HIS H . 26641 1 148 . 1 1 82 82 HIS N N 15 124.770 0.05 . 1 . . . . 78 HIS N . 26641 1 149 . 1 1 84 84 SER H H 1 11.106 0.005 . 1 . . . . 80 SER H . 26641 1 150 . 1 1 84 84 SER N N 15 118.888 0.05 . 1 . . . . 80 SER N . 26641 1 151 . 1 1 85 85 LEU H H 1 7.239 0.005 . 1 . . . . 81 LEU H . 26641 1 152 . 1 1 85 85 LEU N N 15 121.868 0.05 . 1 . . . . 81 LEU N . 26641 1 153 . 1 1 86 86 SER H H 1 9.004 0.005 . 1 . . . . 82 SER H . 26641 1 154 . 1 1 86 86 SER N N 15 119.090 0.05 . 1 . . . . 82 SER N . 26641 1 155 . 1 1 87 87 ALA H H 1 7.579 0.005 . 1 . . . . 83 ALA H . 26641 1 156 . 1 1 87 87 ALA N N 15 122.800 0.05 . 1 . . . . 83 ALA N . 26641 1 157 . 1 1 88 88 ALA H H 1 7.096 0.005 . 1 . . . . 84 ALA H . 26641 1 158 . 1 1 88 88 ALA N N 15 121.725 0.05 . 1 . . . . 84 ALA N . 26641 1 159 . 1 1 89 89 ALA H H 1 8.284 0.005 . 1 . . . . 85 ALA H . 26641 1 160 . 1 1 89 89 ALA N N 15 121.904 0.05 . 1 . . . . 85 ALA N . 26641 1 161 . 1 1 90 90 ASP H H 1 8.433 0.005 . 1 . . . . 86 ASP H . 26641 1 162 . 1 1 90 90 ASP N N 15 121.306 0.05 . 1 . . . . 86 ASP N . 26641 1 163 . 1 1 91 91 ALA H H 1 7.389 0.005 . 1 . . . . 87 ALA H . 26641 1 164 . 1 1 91 91 ALA N N 15 121.026 0.05 . 1 . . . . 87 ALA N . 26641 1 165 . 1 1 92 92 GLY H H 1 7.952 0.005 . 1 . . . . 88 GLY H . 26641 1 166 . 1 1 92 92 GLY N N 15 107.724 0.05 . 1 . . . . 88 GLY N . 26641 1 167 . 1 1 93 93 ILE H H 1 7.621 0.005 . 1 . . . . 89 ILE H . 26641 1 168 . 1 1 93 93 ILE N N 15 124.118 0.05 . 1 . . . . 89 ILE N . 26641 1 169 . 1 1 94 94 GLU H H 1 7.647 0.005 . 1 . . . . 90 GLU H . 26641 1 170 . 1 1 94 94 GLU N N 15 130.046 0.05 . 1 . . . . 90 GLU N . 26641 1 171 . 1 1 95 95 ILE H H 1 7.927 0.005 . 1 . . . . 91 ILE H . 26641 1 172 . 1 1 95 95 ILE N N 15 127.580 0.05 . 1 . . . . 91 ILE N . 26641 1 173 . 1 1 96 96 VAL H H 1 9.217 0.005 . 1 . . . . 92 VAL H . 26641 1 174 . 1 1 96 96 VAL N N 15 119.751 0.05 . 1 . . . . 92 VAL N . 26641 1 175 . 1 1 97 97 GLY H H 1 6.572 0.005 . 1 . . . . 93 GLY H . 26641 1 176 . 1 1 97 97 GLY N N 15 105.398 0.05 . 1 . . . . 93 GLY N . 26641 1 177 . 1 1 98 98 ASP H H 1 9.045 0.005 . 1 . . . . 94 ASP H . 26641 1 178 . 1 1 98 98 ASP N N 15 119.845 0.05 . 1 . . . . 94 ASP N . 26641 1 179 . 1 1 99 99 ILE H H 1 7.314 0.005 . 1 . . . . 95 ILE H . 26641 1 180 . 1 1 99 99 ILE N N 15 118.577 0.05 . 1 . . . . 95 ILE N . 26641 1 181 . 1 1 100 100 GLU H H 1 7.514 0.005 . 1 . . . . 96 GLU H . 26641 1 182 . 1 1 100 100 GLU N N 15 122.879 0.05 . 1 . . . . 96 GLU N . 26641 1 183 . 1 1 101 101 LEU H H 1 7.078 0.005 . 1 . . . . 97 LEU H . 26641 1 184 . 1 1 101 101 LEU N N 15 115.264 0.05 . 1 . . . . 97 LEU N . 26641 1 185 . 1 1 102 102 PHE H H 1 7.936 0.005 . 1 . . . . 98 PHE H . 26641 1 186 . 1 1 102 102 PHE N N 15 118.335 0.05 . 1 . . . . 98 PHE N . 26641 1 187 . 1 1 103 103 CYS H H 1 8.780 0.005 . 1 . . . . 99 CYS H . 26641 1 188 . 1 1 103 103 CYS N N 15 118.688 0.05 . 1 . . . . 99 CYS N . 26641 1 189 . 1 1 104 104 ARG H H 1 7.386 0.005 . 1 . . . . 100 ARG H . 26641 1 190 . 1 1 104 104 ARG N N 15 116.819 0.05 . 1 . . . . 100 ARG N . 26641 1 191 . 1 1 105 105 GLU H H 1 6.939 0.005 . 1 . . . . 101 GLU H . 26641 1 192 . 1 1 105 105 GLU N N 15 114.511 0.05 . 1 . . . . 101 GLU N . 26641 1 193 . 1 1 106 106 ALA H H 1 7.446 0.005 . 1 . . . . 102 ALA H . 26641 1 194 . 1 1 106 106 ALA N N 15 122.720 0.05 . 1 . . . . 102 ALA N . 26641 1 195 . 1 1 107 107 GLN H H 1 8.675 0.005 . 1 . . . . 103 GLN H . 26641 1 196 . 1 1 107 107 GLN N N 15 120.796 0.05 . 1 . . . . 103 GLN N . 26641 1 197 . 1 1 108 108 ALA H H 1 7.042 0.005 . 1 . . . . 104 ALA H . 26641 1 198 . 1 1 108 108 ALA N N 15 121.650 0.05 . 1 . . . . 104 ALA N . 26641 1 199 . 1 1 110 110 ILE H H 1 8.514 0.005 . 1 . . . . 106 ILE H . 26641 1 200 . 1 1 110 110 ILE N N 15 119.758 0.05 . 1 . . . . 106 ILE N . 26641 1 201 . 1 1 111 111 VAL H H 1 9.365 0.005 . 1 . . . . 107 VAL H . 26641 1 202 . 1 1 111 111 VAL N N 15 129.679 0.05 . 1 . . . . 107 VAL N . 26641 1 203 . 1 1 112 112 ALA H H 1 8.549 0.005 . 1 . . . . 108 ALA H . 26641 1 204 . 1 1 112 112 ALA N N 15 130.077 0.05 . 1 . . . . 108 ALA N . 26641 1 205 . 1 1 113 113 ILE H H 1 8.635 0.005 . 1 . . . . 109 ILE H . 26641 1 206 . 1 1 113 113 ILE N N 15 124.505 0.05 . 1 . . . . 109 ILE N . 26641 1 207 . 1 1 114 114 THR H H 1 8.213 0.005 . 1 . . . . 110 THR H . 26641 1 208 . 1 1 114 114 THR N N 15 120.671 0.05 . 1 . . . . 110 THR N . 26641 1 209 . 1 1 115 115 GLY H H 1 7.541 0.005 . 1 . . . . 111 GLY H . 26641 1 210 . 1 1 115 115 GLY N N 15 109.023 0.05 . 1 . . . . 111 GLY N . 26641 1 211 . 1 1 116 116 SER H H 1 8.188 0.005 . 1 . . . . 112 SER H . 26641 1 212 . 1 1 116 116 SER N N 15 120.760 0.05 . 1 . . . . 112 SER N . 26641 1 213 . 1 1 117 117 ASN H H 1 9.584 0.005 . 1 . . . . 113 ASN H . 26641 1 214 . 1 1 117 117 ASN N N 15 119.632 0.05 . 1 . . . . 113 ASN N . 26641 1 215 . 1 1 122 122 VAL H H 1 7.462 0.005 . 1 . . . . 118 VAL H . 26641 1 216 . 1 1 122 122 VAL N N 15 120.170 0.05 . 1 . . . . 118 VAL N . 26641 1 217 . 1 1 123 123 THR H H 1 8.064 0.005 . 1 . . . . 119 THR H . 26641 1 218 . 1 1 123 123 THR N N 15 116.554 0.05 . 1 . . . . 119 THR N . 26641 1 219 . 1 1 124 124 THR H H 1 7.679 0.005 . 1 . . . . 120 THR H . 26641 1 220 . 1 1 124 124 THR N N 15 114.836 0.05 . 1 . . . . 120 THR N . 26641 1 221 . 1 1 125 125 LEU H H 1 8.022 0.005 . 1 . . . . 121 LEU H . 26641 1 222 . 1 1 125 125 LEU N N 15 123.359 0.05 . 1 . . . . 121 LEU N . 26641 1 223 . 1 1 126 126 VAL H H 1 8.397 0.005 . 1 . . . . 122 VAL H . 26641 1 224 . 1 1 126 126 VAL N N 15 119.994 0.05 . 1 . . . . 122 VAL N . 26641 1 225 . 1 1 127 127 GLY H H 1 7.998 0.005 . 1 . . . . 123 GLY H . 26641 1 226 . 1 1 127 127 GLY N N 15 105.762 0.05 . 1 . . . . 123 GLY N . 26641 1 227 . 1 1 128 128 GLU H H 1 8.183 0.005 . 1 . . . . 124 GLU H . 26641 1 228 . 1 1 128 128 GLU N N 15 121.220 0.05 . 1 . . . . 124 GLU N . 26641 1 229 . 1 1 129 129 MET H H 1 8.621 0.005 . 1 . . . . 125 MET H . 26641 1 230 . 1 1 129 129 MET N N 15 123.253 0.05 . 1 . . . . 125 MET N . 26641 1 231 . 1 1 130 130 ALA H H 1 8.216 0.005 . 1 . . . . 126 ALA H . 26641 1 232 . 1 1 130 130 ALA N N 15 123.064 0.05 . 1 . . . . 126 ALA N . 26641 1 233 . 1 1 131 131 LYS H H 1 8.447 0.005 . 1 . . . . 127 LYS H . 26641 1 234 . 1 1 131 131 LYS N N 15 120.255 0.05 . 1 . . . . 127 LYS N . 26641 1 235 . 1 1 132 132 ALA H H 1 8.079 0.005 . 1 . . . . 128 ALA H . 26641 1 236 . 1 1 132 132 ALA N N 15 122.654 0.05 . 1 . . . . 128 ALA N . 26641 1 237 . 1 1 133 133 ALA H H 1 7.181 0.005 . 1 . . . . 129 ALA H . 26641 1 238 . 1 1 133 133 ALA N N 15 118.987 0.05 . 1 . . . . 129 ALA N . 26641 1 239 . 1 1 134 134 GLY H H 1 7.983 0.005 . 1 . . . . 130 GLY H . 26641 1 240 . 1 1 134 134 GLY N N 15 107.802 0.05 . 1 . . . . 130 GLY N . 26641 1 241 . 1 1 135 135 VAL H H 1 7.334 0.005 . 1 . . . . 131 VAL H . 26641 1 242 . 1 1 135 135 VAL N N 15 121.148 0.05 . 1 . . . . 131 VAL N . 26641 1 243 . 1 1 136 136 ASN H H 1 8.962 0.005 . 1 . . . . 132 ASN H . 26641 1 244 . 1 1 136 136 ASN N N 15 126.591 0.05 . 1 . . . . 132 ASN N . 26641 1 245 . 1 1 137 137 VAL H H 1 7.694 0.005 . 1 . . . . 133 VAL H . 26641 1 246 . 1 1 137 137 VAL N N 15 126.977 0.05 . 1 . . . . 133 VAL N . 26641 1 247 . 1 1 138 138 GLY H H 1 8.576 0.005 . 1 . . . . 134 GLY H . 26641 1 248 . 1 1 138 138 GLY N N 15 117.165 0.05 . 1 . . . . 134 GLY N . 26641 1 249 . 1 1 139 139 VAL H H 1 8.385 0.005 . 1 . . . . 135 VAL H . 26641 1 250 . 1 1 139 139 VAL N N 15 127.501 0.05 . 1 . . . . 135 VAL N . 26641 1 251 . 1 1 140 140 GLY H H 1 8.411 0.005 . 1 . . . . 136 GLY H . 26641 1 252 . 1 1 140 140 GLY N N 15 114.635 0.05 . 1 . . . . 136 GLY N . 26641 1 253 . 1 1 141 141 GLY H H 1 8.546 0.005 . 1 . . . . 137 GLY H . 26641 1 254 . 1 1 141 141 GLY N N 15 109.204 0.05 . 1 . . . . 137 GLY N . 26641 1 255 . 1 1 143 143 ILE H H 1 7.164 0.005 . 1 . . . . 139 ILE H . 26641 1 256 . 1 1 143 143 ILE N N 15 113.929 0.05 . 1 . . . . 139 ILE N . 26641 1 257 . 1 1 144 144 GLY H H 1 7.896 0.005 . 1 . . . . 140 GLY H . 26641 1 258 . 1 1 144 144 GLY N N 15 107.386 0.05 . 1 . . . . 140 GLY N . 26641 1 259 . 1 1 145 145 LEU H H 1 8.077 0.005 . 1 . . . . 141 LEU H . 26641 1 260 . 1 1 145 145 LEU N N 15 126.801 0.05 . 1 . . . . 141 LEU N . 26641 1 261 . 1 1 147 147 ALA H H 1 8.928 0.005 . 1 . . . . 143 ALA H . 26641 1 262 . 1 1 147 147 ALA N N 15 125.393 0.05 . 1 . . . . 143 ALA N . 26641 1 263 . 1 1 148 148 LEU H H 1 9.764 0.005 . 1 . . . . 144 LEU H . 26641 1 264 . 1 1 148 148 LEU N N 15 114.277 0.05 . 1 . . . . 144 LEU N . 26641 1 265 . 1 1 149 149 MET H H 1 7.936 0.005 . 1 . . . . 145 MET H . 26641 1 266 . 1 1 149 149 MET N N 15 115.315 0.05 . 1 . . . . 145 MET N . 26641 1 267 . 1 1 150 150 LEU H H 1 7.933 0.005 . 1 . . . . 146 LEU H . 26641 1 268 . 1 1 150 150 LEU N N 15 117.893 0.05 . 1 . . . . 146 LEU N . 26641 1 269 . 1 1 151 151 LEU H H 1 6.675 0.005 . 1 . . . . 147 LEU H . 26641 1 270 . 1 1 151 151 LEU N N 15 116.409 0.05 . 1 . . . . 147 LEU N . 26641 1 271 . 1 1 152 152 ASP H H 1 7.838 0.005 . 1 . . . . 148 ASP H . 26641 1 272 . 1 1 152 152 ASP N N 15 124.140 0.05 . 1 . . . . 148 ASP N . 26641 1 273 . 1 1 154 154 GLU H H 1 8.666 0.005 . 1 . . . . 150 GLU H . 26641 1 274 . 1 1 154 154 GLU N N 15 117.372 0.05 . 1 . . . . 150 GLU N . 26641 1 275 . 1 1 155 155 CYS H H 1 7.645 0.005 . 1 . . . . 151 CYS H . 26641 1 276 . 1 1 155 155 CYS N N 15 120.504 0.05 . 1 . . . . 151 CYS N . 26641 1 277 . 1 1 156 156 GLU H H 1 8.655 0.005 . 1 . . . . 152 GLU H . 26641 1 278 . 1 1 156 156 GLU N N 15 124.896 0.05 . 1 . . . . 152 GLU N . 26641 1 279 . 1 1 157 157 LEU H H 1 7.392 0.005 . 1 . . . . 153 LEU H . 26641 1 280 . 1 1 157 157 LEU N N 15 122.091 0.05 . 1 . . . . 153 LEU N . 26641 1 281 . 1 1 158 158 TYR H H 1 9.121 0.005 . 1 . . . . 154 TYR H . 26641 1 282 . 1 1 158 158 TYR N N 15 125.520 0.05 . 1 . . . . 154 TYR N . 26641 1 283 . 1 1 159 159 VAL H H 1 9.169 0.005 . 1 . . . . 155 VAL H . 26641 1 284 . 1 1 159 159 VAL N N 15 124.260 0.05 . 1 . . . . 155 VAL N . 26641 1 285 . 1 1 160 160 LEU H H 1 8.886 0.005 . 1 . . . . 156 LEU H . 26641 1 286 . 1 1 160 160 LEU N N 15 123.531 0.05 . 1 . . . . 156 LEU N . 26641 1 287 . 1 1 161 161 GLU H H 1 8.224 0.005 . 1 . . . . 157 GLU H . 26641 1 288 . 1 1 161 161 GLU N N 15 124.109 0.05 . 1 . . . . 157 GLU N . 26641 1 289 . 1 1 162 162 LEU H H 1 8.990 0.005 . 1 . . . . 158 LEU H . 26641 1 290 . 1 1 162 162 LEU N N 15 126.878 0.05 . 1 . . . . 158 LEU N . 26641 1 291 . 1 1 163 163 SER H H 1 9.680 0.005 . 1 . . . . 159 SER H . 26641 1 292 . 1 1 163 163 SER N N 15 119.117 0.05 . 1 . . . . 159 SER N . 26641 1 293 . 1 1 164 164 SER H H 1 8.357 0.005 . 1 . . . . 160 SER H . 26641 1 294 . 1 1 164 164 SER N N 15 117.829 0.05 . 1 . . . . 160 SER N . 26641 1 295 . 1 1 165 165 PHE H H 1 6.320 0.005 . 1 . . . . 161 PHE H . 26641 1 296 . 1 1 165 165 PHE N N 15 120.117 0.05 . 1 . . . . 161 PHE N . 26641 1 297 . 1 1 166 166 GLN H H 1 7.782 0.005 . 1 . . . . 162 GLN H . 26641 1 298 . 1 1 166 166 GLN N N 15 117.577 0.05 . 1 . . . . 162 GLN N . 26641 1 299 . 1 1 167 167 LEU H H 1 8.035 0.005 . 1 . . . . 163 LEU H . 26641 1 300 . 1 1 167 167 LEU N N 15 120.657 0.05 . 1 . . . . 163 LEU N . 26641 1 301 . 1 1 168 168 GLU H H 1 7.736 0.005 . 1 . . . . 164 GLU H . 26641 1 302 . 1 1 168 168 GLU N N 15 117.933 0.05 . 1 . . . . 164 GLU N . 26641 1 303 . 1 1 169 169 THR H H 1 7.023 0.005 . 1 . . . . 165 THR H . 26641 1 304 . 1 1 169 169 THR N N 15 102.665 0.05 . 1 . . . . 165 THR N . 26641 1 305 . 1 1 170 170 THR H H 1 7.684 0.005 . 1 . . . . 166 THR H . 26641 1 306 . 1 1 170 170 THR N N 15 120.750 0.05 . 1 . . . . 166 THR N . 26641 1 307 . 1 1 171 171 SER H H 1 9.362 0.005 . 1 . . . . 167 SER H . 26641 1 308 . 1 1 171 171 SER N N 15 124.206 0.05 . 1 . . . . 167 SER N . 26641 1 309 . 1 1 172 172 SER H H 1 10.174 0.005 . 1 . . . . 168 SER H . 26641 1 310 . 1 1 172 172 SER N N 15 121.166 0.05 . 1 . . . . 168 SER N . 26641 1 311 . 1 1 173 173 LEU H H 1 7.220 0.005 . 1 . . . . 169 LEU H . 26641 1 312 . 1 1 173 173 LEU N N 15 123.774 0.05 . 1 . . . . 169 LEU N . 26641 1 313 . 1 1 174 174 GLN H H 1 8.614 0.005 . 1 . . . . 170 GLN H . 26641 1 314 . 1 1 174 174 GLN N N 15 130.120 0.05 . 1 . . . . 170 GLN N . 26641 1 315 . 1 1 175 175 ALA H H 1 8.612 0.005 . 1 . . . . 171 ALA H . 26641 1 316 . 1 1 175 175 ALA N N 15 126.274 0.05 . 1 . . . . 171 ALA N . 26641 1 317 . 1 1 176 176 VAL H H 1 9.053 0.005 . 1 . . . . 172 VAL H . 26641 1 318 . 1 1 176 176 VAL N N 15 122.924 0.05 . 1 . . . . 172 VAL N . 26641 1 319 . 1 1 177 177 ALA H H 1 6.953 0.005 . 1 . . . . 173 ALA H . 26641 1 320 . 1 1 177 177 ALA N N 15 118.999 0.05 . 1 . . . . 173 ALA N . 26641 1 321 . 1 1 178 178 ALA H H 1 8.418 0.005 . 1 . . . . 174 ALA H . 26641 1 322 . 1 1 178 178 ALA N N 15 124.715 0.05 . 1 . . . . 174 ALA N . 26641 1 323 . 1 1 179 179 THR H H 1 7.891 0.005 . 1 . . . . 175 THR H . 26641 1 324 . 1 1 179 179 THR N N 15 113.987 0.05 . 1 . . . . 175 THR N . 26641 1 325 . 1 1 180 180 ILE H H 1 6.863 0.005 . 1 . . . . 176 ILE H . 26641 1 326 . 1 1 180 180 ILE N N 15 127.025 0.05 . 1 . . . . 176 ILE N . 26641 1 327 . 1 1 181 181 LEU H H 1 8.592 0.005 . 1 . . . . 177 LEU H . 26641 1 328 . 1 1 181 181 LEU N N 15 120.939 0.05 . 1 . . . . 177 LEU N . 26641 1 329 . 1 1 182 182 ASN H H 1 7.288 0.005 . 1 . . . . 178 ASN H . 26641 1 330 . 1 1 182 182 ASN N N 15 107.839 0.05 . 1 . . . . 178 ASN N . 26641 1 331 . 1 1 183 183 VAL H H 1 8.904 0.005 . 1 . . . . 179 VAL H . 26641 1 332 . 1 1 183 183 VAL N N 15 120.900 0.05 . 1 . . . . 179 VAL N . 26641 1 333 . 1 1 184 184 THR H H 1 8.952 0.005 . 1 . . . . 180 THR H . 26641 1 334 . 1 1 184 184 THR N N 15 119.135 0.05 . 1 . . . . 180 THR N . 26641 1 335 . 1 1 185 185 GLU H H 1 8.238 0.005 . 1 . . . . 181 GLU H . 26641 1 336 . 1 1 185 185 GLU N N 15 119.340 0.05 . 1 . . . . 181 GLU N . 26641 1 337 . 1 1 186 186 ASP H H 1 7.583 0.005 . 1 . . . . 182 ASP H . 26641 1 338 . 1 1 186 186 ASP N N 15 123.105 0.05 . 1 . . . . 182 ASP N . 26641 1 339 . 1 1 187 187 HIS H H 1 8.540 0.005 . 1 . . . . 183 HIS H . 26641 1 340 . 1 1 187 187 HIS N N 15 114.840 0.05 . 1 . . . . 183 HIS N . 26641 1 341 . 1 1 188 188 MET H H 1 8.387 0.005 . 1 . . . . 184 MET H . 26641 1 342 . 1 1 188 188 MET N N 15 119.479 0.05 . 1 . . . . 184 MET N . 26641 1 343 . 1 1 190 190 ARG H H 1 7.693 0.005 . 1 . . . . 186 ARG H . 26641 1 344 . 1 1 190 190 ARG N N 15 118.421 0.05 . 1 . . . . 186 ARG N . 26641 1 345 . 1 1 191 191 TYR H H 1 7.471 0.005 . 1 . . . . 187 TYR H . 26641 1 346 . 1 1 191 191 TYR N N 15 118.772 0.05 . 1 . . . . 187 TYR N . 26641 1 347 . 1 1 193 193 PHE H H 1 8.556 0.005 . 1 . . . . 189 PHE H . 26641 1 348 . 1 1 193 193 PHE N N 15 116.112 0.05 . 1 . . . . 189 PHE N . 26641 1 349 . 1 1 194 194 GLY H H 1 8.251 0.005 . 1 . . . . 190 GLY H . 26641 1 350 . 1 1 194 194 GLY N N 15 108.928 0.05 . 1 . . . . 190 GLY N . 26641 1 351 . 1 1 195 195 LEU H H 1 8.679 0.005 . 1 . . . . 191 LEU H . 26641 1 352 . 1 1 195 195 LEU N N 15 123.231 0.05 . 1 . . . . 191 LEU N . 26641 1 353 . 1 1 196 196 GLN H H 1 8.881 0.005 . 1 . . . . 192 GLN H . 26641 1 354 . 1 1 196 196 GLN N N 15 114.734 0.05 . 1 . . . . 192 GLN N . 26641 1 355 . 1 1 197 197 GLN H H 1 7.415 0.005 . 1 . . . . 193 GLN H . 26641 1 356 . 1 1 197 197 GLN N N 15 123.296 0.05 . 1 . . . . 193 GLN N . 26641 1 357 . 1 1 198 198 TYR H H 1 7.466 0.005 . 1 . . . . 194 TYR H . 26641 1 358 . 1 1 198 198 TYR N N 15 123.528 0.05 . 1 . . . . 194 TYR N . 26641 1 359 . 1 1 199 199 ARG H H 1 8.624 0.005 . 1 . . . . 195 ARG H . 26641 1 360 . 1 1 199 199 ARG N N 15 116.820 0.05 . 1 . . . . 195 ARG N . 26641 1 361 . 1 1 200 200 ALA H H 1 7.610 0.005 . 1 . . . . 196 ALA H . 26641 1 362 . 1 1 200 200 ALA N N 15 118.498 0.05 . 1 . . . . 196 ALA N . 26641 1 363 . 1 1 201 201 ALA H H 1 7.115 0.005 . 1 . . . . 197 ALA H . 26641 1 364 . 1 1 201 201 ALA N N 15 120.104 0.05 . 1 . . . . 197 ALA N . 26641 1 365 . 1 1 202 202 LYS H H 1 6.685 0.005 . 1 . . . . 198 LYS H . 26641 1 366 . 1 1 202 202 LYS N N 15 113.503 0.05 . 1 . . . . 198 LYS N . 26641 1 367 . 1 1 203 203 LEU H H 1 8.386 0.005 . 1 . . . . 199 LEU H . 26641 1 368 . 1 1 203 203 LEU N N 15 116.896 0.05 . 1 . . . . 199 LEU N . 26641 1 369 . 1 1 204 204 ARG H H 1 7.103 0.005 . 1 . . . . 200 ARG H . 26641 1 370 . 1 1 204 204 ARG N N 15 120.120 0.05 . 1 . . . . 200 ARG N . 26641 1 371 . 1 1 205 205 ILE H H 1 7.959 0.005 . 1 . . . . 201 ILE H . 26641 1 372 . 1 1 205 205 ILE N N 15 120.193 0.05 . 1 . . . . 201 ILE N . 26641 1 373 . 1 1 206 206 TYR H H 1 6.853 0.005 . 1 . . . . 202 TYR H . 26641 1 374 . 1 1 206 206 TYR N N 15 115.761 0.05 . 1 . . . . 202 TYR N . 26641 1 375 . 1 1 207 207 GLU H H 1 7.444 0.005 . 1 . . . . 203 GLU H . 26641 1 376 . 1 1 207 207 GLU N N 15 122.927 0.05 . 1 . . . . 203 GLU N . 26641 1 377 . 1 1 208 208 ASN H H 1 8.927 0.005 . 1 . . . . 204 ASN H . 26641 1 378 . 1 1 208 208 ASN N N 15 116.947 0.05 . 1 . . . . 204 ASN N . 26641 1 379 . 1 1 209 209 ALA H H 1 7.379 0.005 . 1 . . . . 205 ALA H . 26641 1 380 . 1 1 209 209 ALA N N 15 122.083 0.05 . 1 . . . . 205 ALA N . 26641 1 381 . 1 1 210 210 LYS H H 1 8.490 0.005 . 1 . . . . 206 LYS H . 26641 1 382 . 1 1 210 210 LYS N N 15 123.143 0.05 . 1 . . . . 206 LYS N . 26641 1 383 . 1 1 211 211 VAL H H 1 6.822 0.005 . 1 . . . . 207 VAL H . 26641 1 384 . 1 1 211 211 VAL N N 15 116.546 0.05 . 1 . . . . 207 VAL N . 26641 1 385 . 1 1 212 212 CYS H H 1 7.964 0.005 . 1 . . . . 208 CYS H . 26641 1 386 . 1 1 212 212 CYS N N 15 124.551 0.05 . 1 . . . . 208 CYS N . 26641 1 387 . 1 1 213 213 VAL H H 1 9.516 0.005 . 1 . . . . 209 VAL H . 26641 1 388 . 1 1 213 213 VAL N N 15 127.860 0.05 . 1 . . . . 209 VAL N . 26641 1 389 . 1 1 214 214 VAL H H 1 8.842 0.005 . 1 . . . . 210 VAL H . 26641 1 390 . 1 1 214 214 VAL N N 15 121.843 0.05 . 1 . . . . 210 VAL N . 26641 1 391 . 1 1 215 215 ASN H H 1 7.986 0.005 . 1 . . . . 211 ASN H . 26641 1 392 . 1 1 215 215 ASN N N 15 119.067 0.05 . 1 . . . . 211 ASN N . 26641 1 393 . 1 1 216 216 ALA H H 1 9.761 0.005 . 1 . . . . 212 ALA H . 26641 1 394 . 1 1 216 216 ALA N N 15 128.133 0.05 . 1 . . . . 212 ALA N . 26641 1 395 . 1 1 217 217 ASP H H 1 8.248 0.005 . 1 . . . . 213 ASP H . 26641 1 396 . 1 1 217 217 ASP N N 15 113.365 0.05 . 1 . . . . 213 ASP N . 26641 1 397 . 1 1 218 218 ASP H H 1 7.451 0.005 . 1 . . . . 214 ASP H . 26641 1 398 . 1 1 218 218 ASP N N 15 120.153 0.05 . 1 . . . . 214 ASP N . 26641 1 399 . 1 1 219 219 ALA H H 1 8.914 0.005 . 1 . . . . 215 ALA H . 26641 1 400 . 1 1 219 219 ALA N N 15 129.198 0.05 . 1 . . . . 215 ALA N . 26641 1 401 . 1 1 220 220 LEU H H 1 8.292 0.005 . 1 . . . . 216 LEU H . 26641 1 402 . 1 1 220 220 LEU N N 15 116.543 0.05 . 1 . . . . 216 LEU N . 26641 1 403 . 1 1 221 221 THR H H 1 7.950 0.005 . 1 . . . . 217 THR H . 26641 1 404 . 1 1 221 221 THR N N 15 108.194 0.05 . 1 . . . . 217 THR N . 26641 1 405 . 1 1 222 222 MET H H 1 6.962 0.005 . 1 . . . . 218 MET H . 26641 1 406 . 1 1 222 222 MET N N 15 120.175 0.05 . 1 . . . . 218 MET N . 26641 1 407 . 1 1 224 224 ILE H H 1 8.331 0.005 . 1 . . . . 220 ILE H . 26641 1 408 . 1 1 224 224 ILE N N 15 123.436 0.05 . 1 . . . . 220 ILE N . 26641 1 409 . 1 1 225 225 ARG H H 1 8.124 0.005 . 1 . . . . 221 ARG H . 26641 1 410 . 1 1 225 225 ARG N N 15 118.423 0.05 . 1 . . . . 221 ARG N . 26641 1 411 . 1 1 226 226 GLY H H 1 7.816 0.005 . 1 . . . . 222 GLY H . 26641 1 412 . 1 1 226 226 GLY N N 15 108.714 0.05 . 1 . . . . 222 GLY N . 26641 1 413 . 1 1 227 227 ALA H H 1 8.284 0.005 . 1 . . . . 223 ALA H . 26641 1 414 . 1 1 227 227 ALA N N 15 121.671 0.05 . 1 . . . . 223 ALA N . 26641 1 415 . 1 1 228 228 ASP H H 1 7.521 0.005 . 1 . . . . 224 ASP H . 26641 1 416 . 1 1 228 228 ASP N N 15 121.388 0.05 . 1 . . . . 224 ASP N . 26641 1 417 . 1 1 229 229 GLU H H 1 9.078 0.005 . 1 . . . . 225 GLU H . 26641 1 418 . 1 1 229 229 GLU N N 15 118.714 0.05 . 1 . . . . 225 GLU N . 26641 1 419 . 1 1 230 230 ARG H H 1 8.488 0.005 . 1 . . . . 226 ARG H . 26641 1 420 . 1 1 230 230 ARG N N 15 119.289 0.05 . 1 . . . . 226 ARG N . 26641 1 421 . 1 1 231 231 CYS H H 1 7.618 0.005 . 1 . . . . 227 CYS H . 26641 1 422 . 1 1 231 231 CYS N N 15 115.420 0.05 . 1 . . . . 227 CYS N . 26641 1 423 . 1 1 232 232 VAL H H 1 9.174 0.005 . 1 . . . . 228 VAL H . 26641 1 424 . 1 1 232 232 VAL N N 15 126.527 0.05 . 1 . . . . 228 VAL N . 26641 1 425 . 1 1 233 233 SER H H 1 9.502 0.005 . 1 . . . . 229 SER H . 26641 1 426 . 1 1 233 233 SER N N 15 120.588 0.05 . 1 . . . . 229 SER N . 26641 1 427 . 1 1 234 234 PHE H H 1 8.815 0.005 . 1 . . . . 230 PHE H . 26641 1 428 . 1 1 234 234 PHE N N 15 118.010 0.05 . 1 . . . . 230 PHE N . 26641 1 429 . 1 1 235 235 GLY H H 1 8.770 0.005 . 1 . . . . 231 GLY H . 26641 1 430 . 1 1 235 235 GLY N N 15 108.369 0.05 . 1 . . . . 231 GLY N . 26641 1 431 . 1 1 236 236 VAL H H 1 8.954 0.005 . 1 . . . . 232 VAL H . 26641 1 432 . 1 1 236 236 VAL N N 15 118.034 0.05 . 1 . . . . 232 VAL N . 26641 1 433 . 1 1 237 237 ASN H H 1 9.221 0.005 . 1 . . . . 233 ASN H . 26641 1 434 . 1 1 237 237 ASN N N 15 113.988 0.05 . 1 . . . . 233 ASN N . 26641 1 435 . 1 1 238 238 MET H H 1 7.514 0.005 . 1 . . . . 234 MET H . 26641 1 436 . 1 1 238 238 MET N N 15 117.380 0.05 . 1 . . . . 234 MET N . 26641 1 437 . 1 1 239 239 GLY H H 1 7.495 0.005 . 1 . . . . 235 GLY H . 26641 1 438 . 1 1 239 239 GLY N N 15 104.210 0.05 . 1 . . . . 235 GLY N . 26641 1 439 . 1 1 240 240 ASP H H 1 8.292 0.005 . 1 . . . . 236 ASP H . 26641 1 440 . 1 1 240 240 ASP N N 15 123.606 0.05 . 1 . . . . 236 ASP N . 26641 1 441 . 1 1 241 241 TYR H H 1 8.755 0.005 . 1 . . . . 237 TYR H . 26641 1 442 . 1 1 241 241 TYR N N 15 121.378 0.05 . 1 . . . . 237 TYR N . 26641 1 443 . 1 1 242 242 HIS H H 1 8.897 0.005 . 1 . . . . 238 HIS H . 26641 1 444 . 1 1 242 242 HIS N N 15 119.792 0.05 . 1 . . . . 238 HIS N . 26641 1 445 . 1 1 244 244 ASN H H 1 8.999 0.005 . 1 . . . . 240 ASN H . 26641 1 446 . 1 1 244 244 ASN N N 15 121.297 0.05 . 1 . . . . 240 ASN N . 26641 1 447 . 1 1 246 246 GLN H H 1 8.842 0.005 . 1 . . . . 242 GLN H . 26641 1 448 . 1 1 246 246 GLN N N 15 124.338 0.05 . 1 . . . . 242 GLN N . 26641 1 449 . 1 1 248 248 GLY H H 1 8.271 0.005 . 1 . . . . 244 GLY H . 26641 1 450 . 1 1 248 248 GLY N N 15 105.754 0.05 . 1 . . . . 244 GLY N . 26641 1 451 . 1 1 249 249 GLU H H 1 7.642 0.005 . 1 . . . . 245 GLU H . 26641 1 452 . 1 1 249 249 GLU N N 15 120.057 0.05 . 1 . . . . 245 GLU N . 26641 1 453 . 1 1 250 250 THR H H 1 8.973 0.005 . 1 . . . . 246 THR H . 26641 1 454 . 1 1 250 250 THR N N 15 119.664 0.05 . 1 . . . . 246 THR N . 26641 1 455 . 1 1 251 251 TRP H H 1 9.035 0.005 . 1 . . . . 247 TRP H . 26641 1 456 . 1 1 251 251 TRP N N 15 125.544 0.05 . 1 . . . . 247 TRP N . 26641 1 457 . 1 1 252 252 LEU H H 1 9.045 0.005 . 1 . . . . 248 LEU H . 26641 1 458 . 1 1 252 252 LEU N N 15 119.619 0.05 . 1 . . . . 248 LEU N . 26641 1 459 . 1 1 253 253 ARG H H 1 9.239 0.005 . 1 . . . . 249 ARG H . 26641 1 460 . 1 1 253 253 ARG N N 15 127.753 0.05 . 1 . . . . 249 ARG N . 26641 1 461 . 1 1 254 254 VAL H H 1 8.448 0.005 . 1 . . . . 250 VAL H . 26641 1 462 . 1 1 254 254 VAL N N 15 122.903 0.05 . 1 . . . . 250 VAL N . 26641 1 463 . 1 1 255 255 LYS H H 1 9.515 0.005 . 1 . . . . 251 LYS H . 26641 1 464 . 1 1 255 255 LYS N N 15 128.699 0.05 . 1 . . . . 251 LYS N . 26641 1 465 . 1 1 256 256 GLY H H 1 8.247 0.005 . 1 . . . . 252 GLY H . 26641 1 466 . 1 1 256 256 GLY N N 15 104.173 0.05 . 1 . . . . 252 GLY N . 26641 1 467 . 1 1 257 257 GLU H H 1 7.745 0.005 . 1 . . . . 253 GLU H . 26641 1 468 . 1 1 257 257 GLU N N 15 121.738 0.05 . 1 . . . . 253 GLU N . 26641 1 469 . 1 1 258 258 LYS H H 1 8.604 0.005 . 1 . . . . 254 LYS H . 26641 1 470 . 1 1 258 258 LYS N N 15 126.290 0.05 . 1 . . . . 254 LYS N . 26641 1 471 . 1 1 259 259 VAL H H 1 8.577 0.005 . 1 . . . . 255 VAL H . 26641 1 472 . 1 1 259 259 VAL N N 15 118.293 0.05 . 1 . . . . 255 VAL N . 26641 1 473 . 1 1 260 260 LEU H H 1 7.101 0.005 . 1 . . . . 256 LEU H . 26641 1 474 . 1 1 260 260 LEU N N 15 118.722 0.05 . 1 . . . . 256 LEU N . 26641 1 475 . 1 1 261 261 ASN H H 1 8.946 0.005 . 1 . . . . 257 ASN H . 26641 1 476 . 1 1 261 261 ASN N N 15 130.459 0.05 . 1 . . . . 257 ASN N . 26641 1 477 . 1 1 262 262 VAL H H 1 8.150 0.005 . 1 . . . . 258 VAL H . 26641 1 478 . 1 1 262 262 VAL N N 15 121.656 0.05 . 1 . . . . 258 VAL N . 26641 1 479 . 1 1 263 263 LYS H H 1 8.680 0.005 . 1 . . . . 259 LYS H . 26641 1 480 . 1 1 263 263 LYS N N 15 122.649 0.05 . 1 . . . . 259 LYS N . 26641 1 481 . 1 1 264 264 GLU H H 1 7.918 0.005 . 1 . . . . 260 GLU H . 26641 1 482 . 1 1 264 264 GLU N N 15 116.775 0.05 . 1 . . . . 260 GLU N . 26641 1 483 . 1 1 265 265 MET H H 1 7.435 0.005 . 1 . . . . 261 MET H . 26641 1 484 . 1 1 265 265 MET N N 15 115.472 0.05 . 1 . . . . 261 MET N . 26641 1 485 . 1 1 266 266 LYS H H 1 8.873 0.005 . 1 . . . . 262 LYS H . 26641 1 486 . 1 1 266 266 LYS N N 15 119.891 0.05 . 1 . . . . 262 LYS N . 26641 1 487 . 1 1 267 267 LEU H H 1 7.162 0.005 . 1 . . . . 263 LEU H . 26641 1 488 . 1 1 267 267 LEU N N 15 118.231 0.05 . 1 . . . . 263 LEU N . 26641 1 489 . 1 1 268 268 SER H H 1 8.071 0.005 . 1 . . . . 264 SER H . 26641 1 490 . 1 1 268 268 SER N N 15 114.234 0.05 . 1 . . . . 264 SER N . 26641 1 491 . 1 1 269 269 GLY H H 1 7.207 0.005 . 1 . . . . 265 GLY H . 26641 1 492 . 1 1 269 269 GLY N N 15 109.296 0.05 . 1 . . . . 265 GLY N . 26641 1 493 . 1 1 273 273 TYR H H 1 7.857 0.005 . 1 . . . . 269 TYR H . 26641 1 494 . 1 1 273 273 TYR N N 15 121.396 0.05 . 1 . . . . 269 TYR N . 26641 1 495 . 1 1 274 274 THR H H 1 8.498 0.005 . 1 . . . . 270 THR H . 26641 1 496 . 1 1 274 274 THR N N 15 111.739 0.05 . 1 . . . . 270 THR N . 26641 1 497 . 1 1 275 275 ASN H H 1 7.699 0.005 . 1 . . . . 271 ASN H . 26641 1 498 . 1 1 275 275 ASN N N 15 121.324 0.05 . 1 . . . . 271 ASN N . 26641 1 499 . 1 1 276 276 ALA H H 1 7.781 0.005 . 1 . . . . 272 ALA H . 26641 1 500 . 1 1 276 276 ALA N N 15 122.009 0.05 . 1 . . . . 272 ALA N . 26641 1 501 . 1 1 277 277 LEU H H 1 7.544 0.005 . 1 . . . . 273 LEU H . 26641 1 502 . 1 1 277 277 LEU N N 15 117.561 0.05 . 1 . . . . 273 LEU N . 26641 1 503 . 1 1 278 278 ALA H H 1 7.472 0.005 . 1 . . . . 274 ALA H . 26641 1 504 . 1 1 278 278 ALA N N 15 120.203 0.05 . 1 . . . . 274 ALA N . 26641 1 505 . 1 1 279 279 ALA H H 1 7.717 0.005 . 1 . . . . 275 ALA H . 26641 1 506 . 1 1 279 279 ALA N N 15 116.577 0.05 . 1 . . . . 275 ALA N . 26641 1 507 . 1 1 280 280 LEU H H 1 8.080 0.005 . 1 . . . . 276 LEU H . 26641 1 508 . 1 1 280 280 LEU N N 15 118.406 0.05 . 1 . . . . 276 LEU N . 26641 1 509 . 1 1 281 281 ALA H H 1 7.879 0.005 . 1 . . . . 277 ALA H . 26641 1 510 . 1 1 281 281 ALA N N 15 121.446 0.05 . 1 . . . . 277 ALA N . 26641 1 511 . 1 1 282 282 LEU H H 1 7.869 0.005 . 1 . . . . 278 LEU H . 26641 1 512 . 1 1 282 282 LEU N N 15 120.182 0.05 . 1 . . . . 278 LEU N . 26641 1 513 . 1 1 284 284 ASP H H 1 9.041 0.005 . 1 . . . . 280 ASP H . 26641 1 514 . 1 1 284 284 ASP N N 15 118.313 0.05 . 1 . . . . 280 ASP N . 26641 1 515 . 1 1 285 285 ALA H H 1 7.839 0.005 . 1 . . . . 281 ALA H . 26641 1 516 . 1 1 285 285 ALA N N 15 124.018 0.05 . 1 . . . . 281 ALA N . 26641 1 517 . 1 1 286 286 ALA H H 1 8.050 0.005 . 1 . . . . 282 ALA H . 26641 1 518 . 1 1 286 286 ALA N N 15 119.340 0.05 . 1 . . . . 282 ALA N . 26641 1 519 . 1 1 287 287 GLY H H 1 7.636 0.005 . 1 . . . . 283 GLY H . 26641 1 520 . 1 1 287 287 GLY N N 15 105.783 0.05 . 1 . . . . 283 GLY N . 26641 1 521 . 1 1 288 288 LEU H H 1 7.971 0.005 . 1 . . . . 284 LEU H . 26641 1 522 . 1 1 288 288 LEU N N 15 122.010 0.05 . 1 . . . . 284 LEU N . 26641 1 523 . 1 1 290 290 ARG H H 1 8.379 0.005 . 1 . . . . 286 ARG H . 26641 1 524 . 1 1 290 290 ARG N N 15 125.827 0.05 . 1 . . . . 286 ARG N . 26641 1 525 . 1 1 291 291 ALA H H 1 8.797 0.005 . 1 . . . . 287 ALA H . 26641 1 526 . 1 1 291 291 ALA N N 15 118.366 0.05 . 1 . . . . 287 ALA N . 26641 1 527 . 1 1 292 292 SER H H 1 7.151 0.005 . 1 . . . . 288 SER H . 26641 1 528 . 1 1 292 292 SER N N 15 109.828 0.05 . 1 . . . . 288 SER N . 26641 1 529 . 1 1 293 293 SER H H 1 7.924 0.005 . 1 . . . . 289 SER H . 26641 1 530 . 1 1 293 293 SER N N 15 123.624 0.05 . 1 . . . . 289 SER N . 26641 1 531 . 1 1 294 294 LEU H H 1 8.441 0.005 . 1 . . . . 290 LEU H . 26641 1 532 . 1 1 294 294 LEU N N 15 119.421 0.05 . 1 . . . . 290 LEU N . 26641 1 533 . 1 1 295 295 LYS H H 1 7.378 0.005 . 1 . . . . 291 LYS H . 26641 1 534 . 1 1 295 295 LYS N N 15 119.697 0.05 . 1 . . . . 291 LYS N . 26641 1 535 . 1 1 296 296 ALA H H 1 7.816 0.005 . 1 . . . . 292 ALA H . 26641 1 536 . 1 1 296 296 ALA N N 15 122.228 0.05 . 1 . . . . 292 ALA N . 26641 1 537 . 1 1 297 297 LEU H H 1 7.538 0.005 . 1 . . . . 293 LEU H . 26641 1 538 . 1 1 297 297 LEU N N 15 116.151 0.05 . 1 . . . . 293 LEU N . 26641 1 539 . 1 1 298 298 THR H H 1 7.847 0.005 . 1 . . . . 294 THR H . 26641 1 540 . 1 1 298 298 THR N N 15 108.712 0.05 . 1 . . . . 294 THR N . 26641 1 541 . 1 1 299 299 THR H H 1 7.359 0.005 . 1 . . . . 295 THR H . 26641 1 542 . 1 1 299 299 THR N N 15 110.013 0.05 . 1 . . . . 295 THR N . 26641 1 543 . 1 1 300 300 PHE H H 1 7.608 0.005 . 1 . . . . 296 PHE H . 26641 1 544 . 1 1 300 300 PHE N N 15 123.785 0.05 . 1 . . . . 296 PHE N . 26641 1 545 . 1 1 309 309 VAL H H 1 9.101 0.005 . 1 . . . . 305 VAL H . 26641 1 546 . 1 1 309 309 VAL N N 15 130.641 0.05 . 1 . . . . 305 VAL N . 26641 1 547 . 1 1 311 311 LEU H H 1 7.398 0.005 . 1 . . . . 307 LEU H . 26641 1 548 . 1 1 311 311 LEU N N 15 119.847 0.05 . 1 . . . . 307 LEU N . 26641 1 549 . 1 1 312 312 GLU H H 1 8.605 0.005 . 1 . . . . 308 GLU H . 26641 1 550 . 1 1 312 312 GLU N N 15 128.207 0.05 . 1 . . . . 308 GLU N . 26641 1 551 . 1 1 313 313 HIS H H 1 8.555 0.005 . 1 . . . . 309 HIS H . 26641 1 552 . 1 1 313 313 HIS N N 15 123.000 0.05 . 1 . . . . 309 HIS N . 26641 1 553 . 1 1 315 315 GLY H H 1 8.594 0.005 . 1 . . . . 311 GLY H . 26641 1 554 . 1 1 315 315 GLY N N 15 101.800 0.05 . 1 . . . . 311 GLY N . 26641 1 555 . 1 1 316 316 VAL H H 1 7.730 0.005 . 1 . . . . 312 VAL H . 26641 1 556 . 1 1 316 316 VAL N N 15 125.328 0.05 . 1 . . . . 312 VAL N . 26641 1 557 . 1 1 317 317 ARG H H 1 7.241 0.005 . 1 . . . . 313 ARG H . 26641 1 558 . 1 1 317 317 ARG N N 15 124.667 0.05 . 1 . . . . 313 ARG N . 26641 1 559 . 1 1 318 318 TRP H H 1 9.146 0.005 . 1 . . . . 314 TRP H . 26641 1 560 . 1 1 318 318 TRP N N 15 126.317 0.05 . 1 . . . . 314 TRP N . 26641 1 561 . 1 1 319 319 ILE H H 1 9.718 0.005 . 1 . . . . 315 ILE H . 26641 1 562 . 1 1 319 319 ILE N N 15 124.940 0.05 . 1 . . . . 315 ILE N . 26641 1 563 . 1 1 327 327 VAL H H 1 8.723 0.005 . 1 . . . . 323 VAL H . 26641 1 564 . 1 1 327 327 VAL N N 15 121.025 0.05 . 1 . . . . 323 VAL N . 26641 1 565 . 1 1 328 328 GLY H H 1 8.721 0.005 . 1 . . . . 324 GLY H . 26641 1 566 . 1 1 328 328 GLY N N 15 107.011 0.05 . 1 . . . . 324 GLY N . 26641 1 567 . 1 1 329 329 SER H H 1 8.103 0.005 . 1 . . . . 325 SER H . 26641 1 568 . 1 1 329 329 SER N N 15 118.101 0.05 . 1 . . . . 325 SER N . 26641 1 569 . 1 1 335 335 ASN H H 1 7.594 0.005 . 1 . . . . 331 ASN H . 26641 1 570 . 1 1 335 335 ASN N N 15 119.475 0.05 . 1 . . . . 331 ASN N . 26641 1 571 . 1 1 337 337 LEU H H 1 7.237 0.005 . 1 . . . . 333 LEU H . 26641 1 572 . 1 1 337 337 LEU N N 15 123.034 0.05 . 1 . . . . 333 LEU N . 26641 1 573 . 1 1 339 339 VAL H H 1 8.143 0.005 . 1 . . . . 335 VAL H . 26641 1 574 . 1 1 339 339 VAL N N 15 126.328 0.05 . 1 . . . . 335 VAL N . 26641 1 575 . 1 1 340 340 ASP H H 1 8.907 0.005 . 1 . . . . 336 ASP H . 26641 1 576 . 1 1 340 340 ASP N N 15 127.714 0.05 . 1 . . . . 336 ASP N . 26641 1 577 . 1 1 341 341 GLY H H 1 7.186 0.005 . 1 . . . . 337 GLY H . 26641 1 578 . 1 1 341 341 GLY N N 15 108.080 0.05 . 1 . . . . 337 GLY N . 26641 1 579 . 1 1 342 342 THR H H 1 9.100 0.005 . 1 . . . . 338 THR H . 26641 1 580 . 1 1 342 342 THR N N 15 125.388 0.05 . 1 . . . . 338 THR N . 26641 1 581 . 1 1 343 343 LEU H H 1 8.443 0.005 . 1 . . . . 339 LEU H . 26641 1 582 . 1 1 343 343 LEU N N 15 128.420 0.05 . 1 . . . . 339 LEU N . 26641 1 583 . 1 1 344 344 HIS H H 1 9.206 0.005 . 1 . . . . 340 HIS H . 26641 1 584 . 1 1 344 344 HIS N N 15 129.053 0.05 . 1 . . . . 340 HIS N . 26641 1 585 . 1 1 345 345 LEU H H 1 9.067 0.005 . 1 . . . . 341 LEU H . 26641 1 586 . 1 1 345 345 LEU N N 15 127.293 0.05 . 1 . . . . 341 LEU N . 26641 1 587 . 1 1 346 346 LEU H H 1 8.755 0.005 . 1 . . . . 342 LEU H . 26641 1 588 . 1 1 346 346 LEU N N 15 129.138 0.05 . 1 . . . . 342 LEU N . 26641 1 589 . 1 1 348 348 GLY H H 1 7.733 0.005 . 1 . . . . 344 GLY H . 26641 1 590 . 1 1 348 348 GLY N N 15 107.050 0.05 . 1 . . . . 344 GLY N . 26641 1 591 . 1 1 349 349 GLY H H 1 6.329 0.005 . 1 . . . . 345 GLY H . 26641 1 592 . 1 1 349 349 GLY N N 15 103.006 0.05 . 1 . . . . 345 GLY N . 26641 1 593 . 1 1 350 350 ASP H H 1 7.966 0.005 . 1 . . . . 346 ASP H . 26641 1 594 . 1 1 350 350 ASP N N 15 121.031 0.05 . 1 . . . . 346 ASP N . 26641 1 595 . 1 1 351 351 GLY H H 1 10.293 0.005 . 1 . . . . 347 GLY H . 26641 1 596 . 1 1 351 351 GLY N N 15 116.778 0.05 . 1 . . . . 347 GLY N . 26641 1 597 . 1 1 352 352 LYS H H 1 8.773 0.005 . 1 . . . . 348 LYS H . 26641 1 598 . 1 1 352 352 LYS N N 15 117.156 0.05 . 1 . . . . 348 LYS N . 26641 1 599 . 1 1 353 353 SER H H 1 8.946 0.005 . 1 . . . . 349 SER H . 26641 1 600 . 1 1 353 353 SER N N 15 110.861 0.05 . 1 . . . . 349 SER N . 26641 1 601 . 1 1 354 354 ALA H H 1 7.305 0.005 . 1 . . . . 350 ALA H . 26641 1 602 . 1 1 354 354 ALA N N 15 122.442 0.05 . 1 . . . . 350 ALA N . 26641 1 603 . 1 1 355 355 ASP H H 1 7.882 0.005 . 1 . . . . 351 ASP H . 26641 1 604 . 1 1 355 355 ASP N N 15 117.540 0.05 . 1 . . . . 351 ASP N . 26641 1 605 . 1 1 356 356 PHE H H 1 8.338 0.005 . 1 . . . . 352 PHE H . 26641 1 606 . 1 1 356 356 PHE N N 15 123.519 0.05 . 1 . . . . 352 PHE N . 26641 1 607 . 1 1 357 357 SER H H 1 8.454 0.005 . 1 . . . . 353 SER H . 26641 1 608 . 1 1 357 357 SER N N 15 117.406 0.05 . 1 . . . . 353 SER N . 26641 1 609 . 1 1 360 360 ALA H H 1 7.751 0.005 . 1 . . . . 356 ALA H . 26641 1 610 . 1 1 360 360 ALA N N 15 119.001 0.05 . 1 . . . . 356 ALA N . 26641 1 611 . 1 1 361 361 ARG H H 1 7.373 0.005 . 1 . . . . 357 ARG H . 26641 1 612 . 1 1 361 361 ARG N N 15 114.468 0.05 . 1 . . . . 357 ARG N . 26641 1 613 . 1 1 362 362 TYR H H 1 7.346 0.005 . 1 . . . . 358 TYR H . 26641 1 614 . 1 1 362 362 TYR N N 15 116.814 0.05 . 1 . . . . 358 TYR N . 26641 1 615 . 1 1 363 363 LEU H H 1 7.295 0.005 . 1 . . . . 359 LEU H . 26641 1 616 . 1 1 363 363 LEU N N 15 118.331 0.05 . 1 . . . . 359 LEU N . 26641 1 617 . 1 1 364 364 ASN H H 1 7.725 0.005 . 1 . . . . 360 ASN H . 26641 1 618 . 1 1 364 364 ASN N N 15 115.888 0.05 . 1 . . . . 360 ASN N . 26641 1 619 . 1 1 365 365 GLY H H 1 8.307 0.005 . 1 . . . . 361 GLY H . 26641 1 620 . 1 1 365 365 GLY N N 15 108.395 0.05 . 1 . . . . 361 GLY N . 26641 1 621 . 1 1 367 367 ASN H H 1 8.434 0.005 . 1 . . . . 363 ASN H . 26641 1 622 . 1 1 367 367 ASN N N 15 118.005 0.05 . 1 . . . . 363 ASN N . 26641 1 623 . 1 1 368 368 VAL H H 1 7.235 0.005 . 1 . . . . 364 VAL H . 26641 1 624 . 1 1 368 368 VAL N N 15 118.666 0.05 . 1 . . . . 364 VAL N . 26641 1 625 . 1 1 369 369 ARG H H 1 8.865 0.005 . 1 . . . . 365 ARG H . 26641 1 626 . 1 1 369 369 ARG N N 15 125.959 0.05 . 1 . . . . 365 ARG N . 26641 1 627 . 1 1 370 370 LEU H H 1 8.034 0.005 . 1 . . . . 366 LEU H . 26641 1 628 . 1 1 370 370 LEU N N 15 120.363 0.05 . 1 . . . . 366 LEU N . 26641 1 629 . 1 1 371 371 TYR H H 1 9.183 0.005 . 1 . . . . 367 TYR H . 26641 1 630 . 1 1 371 371 TYR N N 15 125.741 0.05 . 1 . . . . 367 TYR N . 26641 1 631 . 1 1 372 372 CYS H H 1 8.736 0.005 . 1 . . . . 368 CYS H . 26641 1 632 . 1 1 372 372 CYS N N 15 122.590 0.05 . 1 . . . . 368 CYS N . 26641 1 633 . 1 1 373 373 PHE H H 1 8.402 0.005 . 1 . . . . 369 PHE H . 26641 1 634 . 1 1 373 373 PHE N N 15 120.355 0.05 . 1 . . . . 369 PHE N . 26641 1 635 . 1 1 374 374 GLY H H 1 7.475 0.005 . 1 . . . . 370 GLY H . 26641 1 636 . 1 1 374 374 GLY N N 15 102.467 0.05 . 1 . . . . 370 GLY N . 26641 1 637 . 1 1 375 375 ARG H H 1 8.812 0.005 . 1 . . . . 371 ARG H . 26641 1 638 . 1 1 375 375 ARG N N 15 122.869 0.05 . 1 . . . . 371 ARG N . 26641 1 639 . 1 1 376 376 ASP H H 1 8.603 0.005 . 1 . . . . 372 ASP H . 26641 1 640 . 1 1 376 376 ASP N N 15 115.667 0.05 . 1 . . . . 372 ASP N . 26641 1 641 . 1 1 377 377 GLY H H 1 7.574 0.005 . 1 . . . . 373 GLY H . 26641 1 642 . 1 1 377 377 GLY N N 15 107.734 0.05 . 1 . . . . 373 GLY N . 26641 1 643 . 1 1 378 378 ALA H H 1 8.764 0.005 . 1 . . . . 374 ALA H . 26641 1 644 . 1 1 378 378 ALA N N 15 121.968 0.05 . 1 . . . . 374 ALA N . 26641 1 645 . 1 1 379 379 GLN H H 1 7.513 0.005 . 1 . . . . 375 GLN H . 26641 1 646 . 1 1 379 379 GLN N N 15 117.606 0.05 . 1 . . . . 375 GLN N . 26641 1 647 . 1 1 380 380 LEU H H 1 7.128 0.005 . 1 . . . . 376 LEU H . 26641 1 648 . 1 1 380 380 LEU N N 15 121.410 0.05 . 1 . . . . 376 LEU N . 26641 1 649 . 1 1 381 381 ALA H H 1 7.878 0.005 . 1 . . . . 377 ALA H . 26641 1 650 . 1 1 381 381 ALA N N 15 121.941 0.05 . 1 . . . . 377 ALA N . 26641 1 651 . 1 1 382 382 ALA H H 1 6.819 0.005 . 1 . . . . 378 ALA H . 26641 1 652 . 1 1 382 382 ALA N N 15 114.716 0.05 . 1 . . . . 378 ALA N . 26641 1 653 . 1 1 383 383 LEU H H 1 7.433 0.005 . 1 . . . . 379 LEU H . 26641 1 654 . 1 1 383 383 LEU N N 15 118.631 0.05 . 1 . . . . 379 LEU N . 26641 1 655 . 1 1 384 384 ARG H H 1 6.727 0.005 . 1 . . . . 380 ARG H . 26641 1 656 . 1 1 384 384 ARG N N 15 112.859 0.05 . 1 . . . . 380 ARG N . 26641 1 657 . 1 1 386 386 GLU H H 1 9.401 0.005 . 1 . . . . 382 GLU H . 26641 1 658 . 1 1 386 386 GLU N N 15 116.527 0.05 . 1 . . . . 382 GLU N . 26641 1 659 . 1 1 387 387 VAL H H 1 7.268 0.005 . 1 . . . . 383 VAL H . 26641 1 660 . 1 1 387 387 VAL N N 15 110.127 0.05 . 1 . . . . 383 VAL N . 26641 1 661 . 1 1 388 388 ALA H H 1 7.284 0.005 . 1 . . . . 384 ALA H . 26641 1 662 . 1 1 388 388 ALA N N 15 124.949 0.05 . 1 . . . . 384 ALA N . 26641 1 663 . 1 1 389 389 GLU H H 1 8.105 0.005 . 1 . . . . 385 GLU H . 26641 1 664 . 1 1 389 389 GLU N N 15 121.251 0.05 . 1 . . . . 385 GLU N . 26641 1 665 . 1 1 390 390 GLN H H 1 8.679 0.005 . 1 . . . . 386 GLN H . 26641 1 666 . 1 1 390 390 GLN N N 15 123.148 0.05 . 1 . . . . 386 GLN N . 26641 1 667 . 1 1 391 391 THR H H 1 9.093 0.005 . 1 . . . . 387 THR H . 26641 1 668 . 1 1 391 391 THR N N 15 116.995 0.05 . 1 . . . . 387 THR N . 26641 1 669 . 1 1 392 392 GLU H H 1 8.414 0.005 . 1 . . . . 388 GLU H . 26641 1 670 . 1 1 392 392 GLU N N 15 120.451 0.05 . 1 . . . . 388 GLU N . 26641 1 671 . 1 1 393 393 THR H H 1 8.197 0.005 . 1 . . . . 389 THR H . 26641 1 672 . 1 1 393 393 THR N N 15 107.725 0.05 . 1 . . . . 389 THR N . 26641 1 673 . 1 1 394 394 MET H H 1 9.956 0.005 . 1 . . . . 390 MET H . 26641 1 674 . 1 1 394 394 MET N N 15 127.266 0.05 . 1 . . . . 390 MET N . 26641 1 675 . 1 1 395 395 GLU H H 1 8.645 0.005 . 1 . . . . 391 GLU H . 26641 1 676 . 1 1 395 395 GLU N N 15 119.908 0.05 . 1 . . . . 391 GLU N . 26641 1 677 . 1 1 396 396 GLN H H 1 7.646 0.005 . 1 . . . . 392 GLN H . 26641 1 678 . 1 1 396 396 GLN N N 15 116.889 0.05 . 1 . . . . 392 GLN N . 26641 1 679 . 1 1 397 397 ALA H H 1 7.337 0.005 . 1 . . . . 393 ALA H . 26641 1 680 . 1 1 397 397 ALA N N 15 122.817 0.05 . 1 . . . . 393 ALA N . 26641 1 681 . 1 1 398 398 MET H H 1 8.313 0.005 . 1 . . . . 394 MET H . 26641 1 682 . 1 1 398 398 MET N N 15 116.393 0.05 . 1 . . . . 394 MET N . 26641 1 683 . 1 1 399 399 ARG H H 1 8.155 0.005 . 1 . . . . 395 ARG H . 26641 1 684 . 1 1 399 399 ARG N N 15 116.953 0.05 . 1 . . . . 395 ARG N . 26641 1 685 . 1 1 400 400 LEU H H 1 7.477 0.005 . 1 . . . . 396 LEU H . 26641 1 686 . 1 1 400 400 LEU N N 15 120.632 0.05 . 1 . . . . 396 LEU N . 26641 1 687 . 1 1 401 401 LEU H H 1 7.653 0.005 . 1 . . . . 397 LEU H . 26641 1 688 . 1 1 401 401 LEU N N 15 116.661 0.05 . 1 . . . . 397 LEU N . 26641 1 689 . 1 1 402 402 ALA H H 1 7.842 0.005 . 1 . . . . 398 ALA H . 26641 1 690 . 1 1 402 402 ALA N N 15 124.101 0.05 . 1 . . . . 398 ALA N . 26641 1 691 . 1 1 404 404 ARG H H 1 8.015 0.005 . 1 . . . . 400 ARG H . 26641 1 692 . 1 1 404 404 ARG N N 15 115.308 0.05 . 1 . . . . 400 ARG N . 26641 1 693 . 1 1 405 405 VAL H H 1 6.813 0.005 . 1 . . . . 401 VAL H . 26641 1 694 . 1 1 405 405 VAL N N 15 114.157 0.05 . 1 . . . . 401 VAL N . 26641 1 695 . 1 1 406 406 GLN H H 1 8.452 0.005 . 1 . . . . 402 GLN H . 26641 1 696 . 1 1 406 406 GLN N N 15 123.837 0.05 . 1 . . . . 402 GLN N . 26641 1 697 . 1 1 408 408 GLY H H 1 8.678 0.005 . 1 . . . . 404 GLY H . 26641 1 698 . 1 1 408 408 GLY N N 15 115.116 0.05 . 1 . . . . 404 GLY N . 26641 1 699 . 1 1 409 409 ASP H H 1 8.303 0.005 . 1 . . . . 405 ASP H . 26641 1 700 . 1 1 409 409 ASP N N 15 122.427 0.05 . 1 . . . . 405 ASP N . 26641 1 701 . 1 1 410 410 MET H H 1 8.299 0.005 . 1 . . . . 406 MET H . 26641 1 702 . 1 1 410 410 MET N N 15 119.241 0.05 . 1 . . . . 406 MET N . 26641 1 703 . 1 1 411 411 VAL H H 1 8.805 0.005 . 1 . . . . 407 VAL H . 26641 1 704 . 1 1 411 411 VAL N N 15 127.998 0.05 . 1 . . . . 407 VAL N . 26641 1 705 . 1 1 412 412 LEU H H 1 8.919 0.005 . 1 . . . . 408 LEU H . 26641 1 706 . 1 1 412 412 LEU N N 15 129.398 0.05 . 1 . . . . 408 LEU N . 26641 1 707 . 1 1 413 413 LEU H H 1 8.194 0.005 . 1 . . . . 409 LEU H . 26641 1 708 . 1 1 413 413 LEU N N 15 128.486 0.05 . 1 . . . . 409 LEU N . 26641 1 709 . 1 1 414 414 SER H H 1 6.497 0.005 . 1 . . . . 410 SER H . 26641 1 710 . 1 1 414 414 SER N N 15 120.200 0.05 . 1 . . . . 410 SER N . 26641 1 711 . 1 1 416 416 ALA H H 1 7.395 0.005 . 1 . . . . 412 ALA H . 26641 1 712 . 1 1 416 416 ALA N N 15 114.071 0.05 . 1 . . . . 412 ALA N . 26641 1 713 . 1 1 417 417 CYS H H 1 6.441 0.005 . 1 . . . . 413 CYS H . 26641 1 714 . 1 1 417 417 CYS N N 15 109.081 0.05 . 1 . . . . 413 CYS N . 26641 1 715 . 1 1 418 418 ALA H H 1 8.438 0.005 . 1 . . . . 414 ALA H . 26641 1 716 . 1 1 418 418 ALA N N 15 126.031 0.05 . 1 . . . . 414 ALA N . 26641 1 717 . 1 1 421 421 ASP H H 1 9.747 0.005 . 1 . . . . 417 ASP H . 26641 1 718 . 1 1 421 421 ASP N N 15 118.507 0.05 . 1 . . . . 417 ASP N . 26641 1 719 . 1 1 423 423 PHE H H 1 8.660 0.005 . 1 . . . . 419 PHE H . 26641 1 720 . 1 1 423 423 PHE N N 15 118.412 0.05 . 1 . . . . 419 PHE N . 26641 1 721 . 1 1 425 425 ASN H H 1 7.185 0.005 . 1 . . . . 421 ASN H . 26641 1 722 . 1 1 425 425 ASN N N 15 106.404 0.05 . 1 . . . . 421 ASN N . 26641 1 723 . 1 1 430 430 GLY H H 1 7.679 0.005 . 1 . . . . 426 GLY H . 26641 1 724 . 1 1 430 430 GLY N N 15 106.857 0.05 . 1 . . . . 426 GLY N . 26641 1 725 . 1 1 432 432 GLU H H 1 8.417 0.005 . 1 . . . . 428 GLU H . 26641 1 726 . 1 1 432 432 GLU N N 15 123.489 0.05 . 1 . . . . 428 GLU N . 26641 1 727 . 1 1 433 433 PHE H H 1 7.978 0.005 . 1 . . . . 429 PHE H . 26641 1 728 . 1 1 433 433 PHE N N 15 121.419 0.05 . 1 . . . . 429 PHE N . 26641 1 729 . 1 1 435 435 ARG H H 1 7.877 0.005 . 1 . . . . 431 ARG H . 26641 1 730 . 1 1 435 435 ARG N N 15 118.632 0.05 . 1 . . . . 431 ARG N . 26641 1 731 . 1 1 436 436 LEU H H 1 7.999 0.005 . 1 . . . . 432 LEU H . 26641 1 732 . 1 1 436 436 LEU N N 15 120.680 0.05 . 1 . . . . 432 LEU N . 26641 1 733 . 1 1 437 437 ALA H H 1 8.375 0.005 . 1 . . . . 433 ALA H . 26641 1 734 . 1 1 437 437 ALA N N 15 123.226 0.05 . 1 . . . . 433 ALA N . 26641 1 735 . 1 1 438 438 LYS H H 1 6.875 0.005 . 1 . . . . 434 LYS H . 26641 1 736 . 1 1 438 438 LYS N N 15 112.986 0.05 . 1 . . . . 434 LYS N . 26641 1 737 . 1 1 439 439 GLU H H 1 7.187 0.005 . 1 . . . . 435 GLU H . 26641 1 738 . 1 1 439 439 GLU N N 15 118.352 0.05 . 1 . . . . 435 GLU N . 26641 1 739 . 1 1 440 440 LEU H H 1 7.753 0.005 . 1 . . . . 436 LEU H . 26641 1 740 . 1 1 440 440 LEU N N 15 117.601 0.05 . 1 . . . . 436 LEU N . 26641 1 741 . 1 1 441 441 GLY H H 1 7.674 0.005 . 1 . . . . 437 GLY H . 26641 1 742 . 1 1 441 441 GLY N N 15 115.025 0.05 . 1 . . . . 437 GLY N . 26641 1 stop_ save_