data_11074 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shifts assignment for the segmentally labelled beta subunit (391-473 residues) of the F1-ATPase in the F1 complex ; _BMRB_accession_number 11074 _BMRB_flat_file_name bmr11074.str _Entry_type original _Submission_date 2009-06-17 _Accession_date 2009-06-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yagi Hiromasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 74 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-03 original author . stop_ _Original_release_date 2011-06-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Analysis of the open and closed conformations of the beta subunits in thermophilic F1-ATPase by solution NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20230835 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kobayashi Masumi . . 2 Akutsu Hideo . . 3 Suzuki Toshiharu . . 4 Yoshida Masasuke . . 5 Yagi Hiromasa . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 398 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 199 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'the F1-ATPase in the F1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'F1 ATPase beta subunit 1' $beta_subunit 'F1 ATPase beta subunit 2' $beta_subunit 'F1 ATPase beta subunit 3' $beta_subunit 'F1 ATPase alpha subunit 1' $alpha_subunit 'F1 ATPase alpha subunit 2' $alpha_subunit 'F1 ATPase alpha subunit 3' $alpha_subunit 'F1 ATPase gamma subunit' $gamma_subunit 'F1 ATPase epsilon subunit' $epsilon_subunit stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_beta_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'F1 ATPase beta subunit' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 473 _Mol_residue_sequence ; MTRGRVIQVMGPVVDVKFEN GHLPAIYNALKIQHKARNEN EVDIDLTLEVALHLGDDTVR TIAMASTDGLIRGMEVIDTG APISVPVGQVTLGRVFNVLG EPIDLEGDIPADARRDPIHR PAPKFEELATEVEILETGIK VVDLLAPYIKGGKIGLFGGA GVGKTVLIQELIHNIAQEHG GISVFAGVGERTREGNDLYH EMKDSGVISKTAMVFGQMNE PPGARMRVALTGLTMAEYFR DEQGQDGLLFIDNIFRFTQA GSEVSALLGRMPSAIGYQPT LATEMGQLQERITSTAKGSI TSIQAIYVPADDYTDPAPAT TFSHLDATTNLERKLAEMGI YPAVDPLVSTSRALAPEIVG EEHYQVARKVQQTLERYKEL QDIIAILGMDELSDEDKLVV HRARRIQFFLSQNFHVAEQF TGQPGSYVPVKETVRGFKEI LEGKYDHLPEDAFRLVGRIE EVVEKAKAMGVEV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ARG 4 GLY 5 ARG 6 VAL 7 ILE 8 GLN 9 VAL 10 MET 11 GLY 12 PRO 13 VAL 14 VAL 15 ASP 16 VAL 17 LYS 18 PHE 19 GLU 20 ASN 21 GLY 22 HIS 23 LEU 24 PRO 25 ALA 26 ILE 27 TYR 28 ASN 29 ALA 30 LEU 31 LYS 32 ILE 33 GLN 34 HIS 35 LYS 36 ALA 37 ARG 38 ASN 39 GLU 40 ASN 41 GLU 42 VAL 43 ASP 44 ILE 45 ASP 46 LEU 47 THR 48 LEU 49 GLU 50 VAL 51 ALA 52 LEU 53 HIS 54 LEU 55 GLY 56 ASP 57 ASP 58 THR 59 VAL 60 ARG 61 THR 62 ILE 63 ALA 64 MET 65 ALA 66 SER 67 THR 68 ASP 69 GLY 70 LEU 71 ILE 72 ARG 73 GLY 74 MET 75 GLU 76 VAL 77 ILE 78 ASP 79 THR 80 GLY 81 ALA 82 PRO 83 ILE 84 SER 85 VAL 86 PRO 87 VAL 88 GLY 89 GLN 90 VAL 91 THR 92 LEU 93 GLY 94 ARG 95 VAL 96 PHE 97 ASN 98 VAL 99 LEU 100 GLY 101 GLU 102 PRO 103 ILE 104 ASP 105 LEU 106 GLU 107 GLY 108 ASP 109 ILE 110 PRO 111 ALA 112 ASP 113 ALA 114 ARG 115 ARG 116 ASP 117 PRO 118 ILE 119 HIS 120 ARG 121 PRO 122 ALA 123 PRO 124 LYS 125 PHE 126 GLU 127 GLU 128 LEU 129 ALA 130 THR 131 GLU 132 VAL 133 GLU 134 ILE 135 LEU 136 GLU 137 THR 138 GLY 139 ILE 140 LYS 141 VAL 142 VAL 143 ASP 144 LEU 145 LEU 146 ALA 147 PRO 148 TYR 149 ILE 150 LYS 151 GLY 152 GLY 153 LYS 154 ILE 155 GLY 156 LEU 157 PHE 158 GLY 159 GLY 160 ALA 161 GLY 162 VAL 163 GLY 164 LYS 165 THR 166 VAL 167 LEU 168 ILE 169 GLN 170 GLU 171 LEU 172 ILE 173 HIS 174 ASN 175 ILE 176 ALA 177 GLN 178 GLU 179 HIS 180 GLY 181 GLY 182 ILE 183 SER 184 VAL 185 PHE 186 ALA 187 GLY 188 VAL 189 GLY 190 GLU 191 ARG 192 THR 193 ARG 194 GLU 195 GLY 196 ASN 197 ASP 198 LEU 199 TYR 200 HIS 201 GLU 202 MET 203 LYS 204 ASP 205 SER 206 GLY 207 VAL 208 ILE 209 SER 210 LYS 211 THR 212 ALA 213 MET 214 VAL 215 PHE 216 GLY 217 GLN 218 MET 219 ASN 220 GLU 221 PRO 222 PRO 223 GLY 224 ALA 225 ARG 226 MET 227 ARG 228 VAL 229 ALA 230 LEU 231 THR 232 GLY 233 LEU 234 THR 235 MET 236 ALA 237 GLU 238 TYR 239 PHE 240 ARG 241 ASP 242 GLU 243 GLN 244 GLY 245 GLN 246 ASP 247 GLY 248 LEU 249 LEU 250 PHE 251 ILE 252 ASP 253 ASN 254 ILE 255 PHE 256 ARG 257 PHE 258 THR 259 GLN 260 ALA 261 GLY 262 SER 263 GLU 264 VAL 265 SER 266 ALA 267 LEU 268 LEU 269 GLY 270 ARG 271 MET 272 PRO 273 SER 274 ALA 275 ILE 276 GLY 277 TYR 278 GLN 279 PRO 280 THR 281 LEU 282 ALA 283 THR 284 GLU 285 MET 286 GLY 287 GLN 288 LEU 289 GLN 290 GLU 291 ARG 292 ILE 293 THR 294 SER 295 THR 296 ALA 297 LYS 298 GLY 299 SER 300 ILE 301 THR 302 SER 303 ILE 304 GLN 305 ALA 306 ILE 307 TYR 308 VAL 309 PRO 310 ALA 311 ASP 312 ASP 313 TYR 314 THR 315 ASP 316 PRO 317 ALA 318 PRO 319 ALA 320 THR 321 THR 322 PHE 323 SER 324 HIS 325 LEU 326 ASP 327 ALA 328 THR 329 THR 330 ASN 331 LEU 332 GLU 333 ARG 334 LYS 335 LEU 336 ALA 337 GLU 338 MET 339 GLY 340 ILE 341 TYR 342 PRO 343 ALA 344 VAL 345 ASP 346 PRO 347 LEU 348 VAL 349 SER 350 THR 351 SER 352 ARG 353 ALA 354 LEU 355 ALA 356 PRO 357 GLU 358 ILE 359 VAL 360 GLY 361 GLU 362 GLU 363 HIS 364 TYR 365 GLN 366 VAL 367 ALA 368 ARG 369 LYS 370 VAL 371 GLN 372 GLN 373 THR 374 LEU 375 GLU 376 ARG 377 TYR 378 LYS 379 GLU 380 LEU 381 GLN 382 ASP 383 ILE 384 ILE 385 ALA 386 ILE 387 LEU 388 GLY 389 MET 390 ASP 391 GLU 392 LEU 393 SER 394 ASP 395 GLU 396 ASP 397 LYS 398 LEU 399 VAL 400 VAL 401 HIS 402 ARG 403 ALA 404 ARG 405 ARG 406 ILE 407 GLN 408 PHE 409 PHE 410 LEU 411 SER 412 GLN 413 ASN 414 PHE 415 HIS 416 VAL 417 ALA 418 GLU 419 GLN 420 PHE 421 THR 422 GLY 423 GLN 424 PRO 425 GLY 426 SER 427 TYR 428 VAL 429 PRO 430 VAL 431 LYS 432 GLU 433 THR 434 VAL 435 ARG 436 GLY 437 PHE 438 LYS 439 GLU 440 ILE 441 LEU 442 GLU 443 GLY 444 LYS 445 TYR 446 ASP 447 HIS 448 LEU 449 PRO 450 GLU 451 ASP 452 ALA 453 PHE 454 ARG 455 LEU 456 VAL 457 GLY 458 ARG 459 ILE 460 GLU 461 GLU 462 VAL 463 VAL 464 GLU 465 LYS 466 ALA 467 LYS 468 ALA 469 MET 470 GLY 471 VAL 472 GLU 473 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1SKY "Crystal Structure Of The Nucleotide Free Alpha3beta3 Sub-complex Of F1-atpase From The Thermophilic Bacillus Ps3" 100.00 473 99.79 99.79 0.00e+00 DBJ BAA00066 "thermophilic proton ATPase beta subunit [Bacillus sp. PS3]" 100.00 473 99.79 99.79 0.00e+00 DBJ BAA07248 "ATPase subunit beta [ [[Bacillus] caldotenax]" 100.00 473 98.10 98.94 0.00e+00 DBJ BAA07255 "ATPase subunit beta [Geobacillus stearothermophilus]" 100.00 473 97.04 98.10 0.00e+00 DBJ BAD77643 "F0F1-type ATP synthasebeta chain [Geobacillus kaustophilus HTA426]" 100.00 473 98.94 99.58 0.00e+00 DBJ BAS29591 "ATP synthase subunit-beta [Bacillus sp. PS3]" 100.00 473 98.94 99.58 0.00e+00 EMBL CAA28277 "unnamed protein product [Bacillus sp. PS3]" 100.00 473 99.79 99.79 0.00e+00 EMBL CAA30655 "unnamed protein product [Bacillus sp. PS3]" 100.00 473 99.79 99.79 0.00e+00 GB AAF64075 "ATP synthase beta subunit [Geobacillus thermoleovorans]" 100.00 473 98.52 99.37 0.00e+00 GB ABO68643 "ATP synthase beta subunit [Geobacillus thermodenitrificans NG80-2]" 100.00 473 97.25 99.15 0.00e+00 GB ACX79963 "ATP synthase F1, beta subunit [Geobacillus sp. Y412MC61]" 100.00 473 98.94 99.58 0.00e+00 GB ADI28256 "ATP synthase F1, beta subunit [Geobacillus sp. C56-T3]" 100.00 473 98.94 99.58 0.00e+00 GB ADP76323 "ATP synthase F1, beta subunit [Geobacillus sp. Y4.1MC1]" 100.00 473 97.25 99.15 0.00e+00 PIR A25504 "H+-transporting two-sector ATPase (EC 3.6.3.14) beta chain - thermophilic bacterium PS-3" 100.00 473 99.79 99.79 0.00e+00 PRF 1211283A "ATPase beta F1" 100.00 473 99.37 99.37 0.00e+00 REF WP_003253633 "MULTISPECIES: ATP synthase subunit beta [Geobacillus]" 100.00 473 97.25 99.15 0.00e+00 REF WP_008880693 "MULTISPECIES: ATP synthase subunit beta [Geobacillus]" 100.00 473 97.25 99.15 0.00e+00 REF WP_011232825 "MULTISPECIES: ATP synthase subunit beta [Bacillaceae]" 100.00 473 98.94 99.58 0.00e+00 REF WP_020961504 "ATP synthase subunit beta [Geobacillus sp. JF8]" 100.00 473 97.04 98.94 0.00e+00 REF WP_025039365 "MULTISPECIES: ATP synthase subunit beta [Geobacillus]" 100.00 473 98.73 99.58 0.00e+00 SP A4ITI9 "RecName: Full=ATP synthase subunit beta; AltName: Full=ATP synthase F1 sector subunit beta; AltName: Full=F-ATPase subunit beta" 100.00 473 97.25 99.15 0.00e+00 SP P07677 "RecName: Full=ATP synthase subunit beta; AltName: Full=ATP synthase F1 sector subunit beta; AltName: Full=F-ATPase subunit beta" 100.00 473 99.79 99.79 0.00e+00 SP P41009 "RecName: Full=ATP synthase subunit beta; AltName: Full=ATP synthase F1 sector subunit beta; AltName: Full=F-ATPase subunit beta" 100.00 473 98.10 98.94 0.00e+00 SP P42006 "RecName: Full=ATP synthase subunit beta; AltName: Full=ATP synthase F1 sector subunit beta; AltName: Full=F-ATPase subunit beta" 100.00 473 97.04 98.10 0.00e+00 SP Q5KUJ3 "RecName: Full=ATP synthase subunit beta; AltName: Full=ATP synthase F1 sector subunit beta; AltName: Full=F-ATPase subunit beta" 100.00 473 98.94 99.58 0.00e+00 stop_ save_ save_alpha_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'F1 ATPase alpha subunit' _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 502 _Mol_residue_sequence ; MSIRAEEISALIKQQIENYE SQIQVSDVGTVIQVGDGIAR AHGLDNVMSGEAVEFANAVM GMALNLEENNVGIVILGPYT GIKEGDEVRRTGRIMEVPVG ETLIGRVVNPLGQPVDGLGP VETTETRPIESRAPGVMDRR SVHEPLQTGIKAIDALVPIG RGQRELIIGDRQTGKTSVAI DTIINQKDQNMICIYVAIGQ KESTVATVVETLAKHGAPDY TIVVTASASQPAPLLFLAPY AGVAMGEYFMIMGKHVLVVI DDLSKQAAAYRQLSLLLRRP PGREAYPGDIFYLHSRLLER AAKLSDAKGGGSLTALPFVE TQAGDISAYIPTNVISITDG QIFLQSDLFFSGVRPAINAG LSVSRVGGAAQIKAMKKVAG TLRLDLAAYRELEAFAQFGS DLDKATQANVARGARTVEVL KQDLHQPIPVEKQVLIIYAL TRGFLDDIPVEDVRRFEKEF YLWLDQNGQHLLEHIRTTKD LPNEDDLNQAIEAFKKTFVV SQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ILE 4 ARG 5 ALA 6 GLU 7 GLU 8 ILE 9 SER 10 ALA 11 LEU 12 ILE 13 LYS 14 GLN 15 GLN 16 ILE 17 GLU 18 ASN 19 TYR 20 GLU 21 SER 22 GLN 23 ILE 24 GLN 25 VAL 26 SER 27 ASP 28 VAL 29 GLY 30 THR 31 VAL 32 ILE 33 GLN 34 VAL 35 GLY 36 ASP 37 GLY 38 ILE 39 ALA 40 ARG 41 ALA 42 HIS 43 GLY 44 LEU 45 ASP 46 ASN 47 VAL 48 MET 49 SER 50 GLY 51 GLU 52 ALA 53 VAL 54 GLU 55 PHE 56 ALA 57 ASN 58 ALA 59 VAL 60 MET 61 GLY 62 MET 63 ALA 64 LEU 65 ASN 66 LEU 67 GLU 68 GLU 69 ASN 70 ASN 71 VAL 72 GLY 73 ILE 74 VAL 75 ILE 76 LEU 77 GLY 78 PRO 79 TYR 80 THR 81 GLY 82 ILE 83 LYS 84 GLU 85 GLY 86 ASP 87 GLU 88 VAL 89 ARG 90 ARG 91 THR 92 GLY 93 ARG 94 ILE 95 MET 96 GLU 97 VAL 98 PRO 99 VAL 100 GLY 101 GLU 102 THR 103 LEU 104 ILE 105 GLY 106 ARG 107 VAL 108 VAL 109 ASN 110 PRO 111 LEU 112 GLY 113 GLN 114 PRO 115 VAL 116 ASP 117 GLY 118 LEU 119 GLY 120 PRO 121 VAL 122 GLU 123 THR 124 THR 125 GLU 126 THR 127 ARG 128 PRO 129 ILE 130 GLU 131 SER 132 ARG 133 ALA 134 PRO 135 GLY 136 VAL 137 MET 138 ASP 139 ARG 140 ARG 141 SER 142 VAL 143 HIS 144 GLU 145 PRO 146 LEU 147 GLN 148 THR 149 GLY 150 ILE 151 LYS 152 ALA 153 ILE 154 ASP 155 ALA 156 LEU 157 VAL 158 PRO 159 ILE 160 GLY 161 ARG 162 GLY 163 GLN 164 ARG 165 GLU 166 LEU 167 ILE 168 ILE 169 GLY 170 ASP 171 ARG 172 GLN 173 THR 174 GLY 175 LYS 176 THR 177 SER 178 VAL 179 ALA 180 ILE 181 ASP 182 THR 183 ILE 184 ILE 185 ASN 186 GLN 187 LYS 188 ASP 189 GLN 190 ASN 191 MET 192 ILE 193 CYS 194 ILE 195 TYR 196 VAL 197 ALA 198 ILE 199 GLY 200 GLN 201 LYS 202 GLU 203 SER 204 THR 205 VAL 206 ALA 207 THR 208 VAL 209 VAL 210 GLU 211 THR 212 LEU 213 ALA 214 LYS 215 HIS 216 GLY 217 ALA 218 PRO 219 ASP 220 TYR 221 THR 222 ILE 223 VAL 224 VAL 225 THR 226 ALA 227 SER 228 ALA 229 SER 230 GLN 231 PRO 232 ALA 233 PRO 234 LEU 235 LEU 236 PHE 237 LEU 238 ALA 239 PRO 240 TYR 241 ALA 242 GLY 243 VAL 244 ALA 245 MET 246 GLY 247 GLU 248 TYR 249 PHE 250 MET 251 ILE 252 MET 253 GLY 254 LYS 255 HIS 256 VAL 257 LEU 258 VAL 259 VAL 260 ILE 261 ASP 262 ASP 263 LEU 264 SER 265 LYS 266 GLN 267 ALA 268 ALA 269 ALA 270 TYR 271 ARG 272 GLN 273 LEU 274 SER 275 LEU 276 LEU 277 LEU 278 ARG 279 ARG 280 PRO 281 PRO 282 GLY 283 ARG 284 GLU 285 ALA 286 TYR 287 PRO 288 GLY 289 ASP 290 ILE 291 PHE 292 TYR 293 LEU 294 HIS 295 SER 296 ARG 297 LEU 298 LEU 299 GLU 300 ARG 301 ALA 302 ALA 303 LYS 304 LEU 305 SER 306 ASP 307 ALA 308 LYS 309 GLY 310 GLY 311 GLY 312 SER 313 LEU 314 THR 315 ALA 316 LEU 317 PRO 318 PHE 319 VAL 320 GLU 321 THR 322 GLN 323 ALA 324 GLY 325 ASP 326 ILE 327 SER 328 ALA 329 TYR 330 ILE 331 PRO 332 THR 333 ASN 334 VAL 335 ILE 336 SER 337 ILE 338 THR 339 ASP 340 GLY 341 GLN 342 ILE 343 PHE 344 LEU 345 GLN 346 SER 347 ASP 348 LEU 349 PHE 350 PHE 351 SER 352 GLY 353 VAL 354 ARG 355 PRO 356 ALA 357 ILE 358 ASN 359 ALA 360 GLY 361 LEU 362 SER 363 VAL 364 SER 365 ARG 366 VAL 367 GLY 368 GLY 369 ALA 370 ALA 371 GLN 372 ILE 373 LYS 374 ALA 375 MET 376 LYS 377 LYS 378 VAL 379 ALA 380 GLY 381 THR 382 LEU 383 ARG 384 LEU 385 ASP 386 LEU 387 ALA 388 ALA 389 TYR 390 ARG 391 GLU 392 LEU 393 GLU 394 ALA 395 PHE 396 ALA 397 GLN 398 PHE 399 GLY 400 SER 401 ASP 402 LEU 403 ASP 404 LYS 405 ALA 406 THR 407 GLN 408 ALA 409 ASN 410 VAL 411 ALA 412 ARG 413 GLY 414 ALA 415 ARG 416 THR 417 VAL 418 GLU 419 VAL 420 LEU 421 LYS 422 GLN 423 ASP 424 LEU 425 HIS 426 GLN 427 PRO 428 ILE 429 PRO 430 VAL 431 GLU 432 LYS 433 GLN 434 VAL 435 LEU 436 ILE 437 ILE 438 TYR 439 ALA 440 LEU 441 THR 442 ARG 443 GLY 444 PHE 445 LEU 446 ASP 447 ASP 448 ILE 449 PRO 450 VAL 451 GLU 452 ASP 453 VAL 454 ARG 455 ARG 456 PHE 457 GLU 458 LYS 459 GLU 460 PHE 461 TYR 462 LEU 463 TRP 464 LEU 465 ASP 466 GLN 467 ASN 468 GLY 469 GLN 470 HIS 471 LEU 472 LEU 473 GLU 474 HIS 475 ILE 476 ARG 477 THR 478 THR 479 LYS 480 ASP 481 LEU 482 PRO 483 ASN 484 GLU 485 ASP 486 ASP 487 LEU 488 ASN 489 GLN 490 ALA 491 ILE 492 GLU 493 ALA 494 PHE 495 LYS 496 LYS 497 THR 498 PHE 499 VAL 500 VAL 501 SER 502 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1SKY "Crystal Structure Of The Nucleotide Free Alpha3beta3 Sub-complex Of F1-atpase From The Thermophilic Bacillus Ps3" 100.00 502 100.00 100.00 0.00e+00 DBJ BAD77645 "F0F1-type ATP synthasealpha chain [Geobacillus kaustophilus HTA426]" 100.00 502 97.01 97.81 0.00e+00 DBJ GAD12921 "ATP synthase F0F1 subunit alpha [Geobacillus kaustophilus GBlys]" 100.00 505 97.01 97.81 0.00e+00 DBJ GAJ57179 "F0F1 ATP synthase subunit alpha [Geobacillus thermoleovorans B23]" 100.00 505 97.01 97.81 0.00e+00 EMBL CAA30652 "unnamed protein product [Bacillus sp. PS3]" 100.00 502 100.00 100.00 0.00e+00 GB ACX79965 "ATP synthase F1, alpha subunit [Geobacillus sp. Y412MC61]" 100.00 502 97.01 97.81 0.00e+00 GB ADI28258 "ATP synthase F1, alpha subunit [Geobacillus sp. C56-T3]" 100.00 502 97.01 97.81 0.00e+00 GB ADU95793 "ATP synthase F1, alpha subunit [Geobacillus sp. Y412MC52]" 100.00 502 97.01 97.81 0.00e+00 GB AEV21073 "ATP synthase subunit alpha [Geobacillus thermoleovorans CCB_US3_UF5]" 100.00 502 97.01 97.81 0.00e+00 GB AGE23945 "ATP synthase component F1 subunit alpha [Geobacillus sp. GHH01]" 100.00 502 97.41 98.01 0.00e+00 PIR S01401 "H+-transporting two-sector ATPase (EC 3.6.3.14) alpha chain - thermophilic bacterium PS-3" 100.00 502 100.00 100.00 0.00e+00 REF WP_011232827 "MULTISPECIES: F0F1 ATP synthase subunit alpha [Geobacillus]" 100.00 502 97.01 97.81 0.00e+00 REF WP_015376060 "MULTISPECIES: ATP synthase component F1 subunit alpha [Geobacillus]" 100.00 502 97.41 98.01 0.00e+00 REF WP_025949611 "ATP F0F1 synthase subunit alpha [Geobacillus thermocatenulatus]" 100.00 502 97.21 97.81 0.00e+00 REF YP_003254447 "F0F1 ATP synthase subunit alpha [Geobacillus sp. Y412MC61]" 100.00 502 97.01 97.81 0.00e+00 REF YP_003672835 "ATP synthase F1 subunit alpha [Geobacillus sp. C56-T3]" 100.00 502 97.01 97.81 0.00e+00 SP P09219 "RecName: Full=ATP synthase subunit alpha; AltName: Full=ATP synthase F1 sector subunit alpha; AltName: Full=F-ATPase subunit al" 100.00 502 100.00 100.00 0.00e+00 SP Q5KUJ1 "RecName: Full=ATP synthase subunit alpha; AltName: Full=ATP synthase F1 sector subunit alpha; AltName: Full=F-ATPase subunit al" 100.00 502 97.01 97.81 0.00e+00 stop_ save_ save_gamma_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'F1 ATPase gamma subunit' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 282 _Mol_residue_sequence ; ASLRDIKTRINATKKTSQIT KAMEMVLTSKLNRAEKREIV RPYMEKIQEVVANVALAARA SHPMLVSRPVKKTGYLVITS DRGLAGAYNSNVLRLVYQTI QKRHASPDEYAIIVIGRVGL SFFRKRNMPVILDITRLPDQ PSFADIKEIARKTVGLFADG TFDELYMYYNHYVSAIQQEV TERKLLPLTDLAENKQRTVY EFEPSQEEILDVLLPQYAES LIYGALLDAKASEHAARMTA MKNATDNANELIRTLTLSYN RARQAAITQEITEIVAGANA LQ ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 LEU 4 ARG 5 ASP 6 ILE 7 LYS 8 THR 9 ARG 10 ILE 11 ASN 12 ALA 13 THR 14 LYS 15 LYS 16 THR 17 SER 18 GLN 19 ILE 20 THR 21 LYS 22 ALA 23 MET 24 GLU 25 MET 26 VAL 27 LEU 28 THR 29 SER 30 LYS 31 LEU 32 ASN 33 ARG 34 ALA 35 GLU 36 LYS 37 ARG 38 GLU 39 ILE 40 VAL 41 ARG 42 PRO 43 TYR 44 MET 45 GLU 46 LYS 47 ILE 48 GLN 49 GLU 50 VAL 51 VAL 52 ALA 53 ASN 54 VAL 55 ALA 56 LEU 57 ALA 58 ALA 59 ARG 60 ALA 61 SER 62 HIS 63 PRO 64 MET 65 LEU 66 VAL 67 SER 68 ARG 69 PRO 70 VAL 71 LYS 72 LYS 73 THR 74 GLY 75 TYR 76 LEU 77 VAL 78 ILE 79 THR 80 SER 81 ASP 82 ARG 83 GLY 84 LEU 85 ALA 86 GLY 87 ALA 88 TYR 89 ASN 90 SER 91 ASN 92 VAL 93 LEU 94 ARG 95 LEU 96 VAL 97 TYR 98 GLN 99 THR 100 ILE 101 GLN 102 LYS 103 ARG 104 HIS 105 ALA 106 SER 107 PRO 108 ASP 109 GLU 110 TYR 111 ALA 112 ILE 113 ILE 114 VAL 115 ILE 116 GLY 117 ARG 118 VAL 119 GLY 120 LEU 121 SER 122 PHE 123 PHE 124 ARG 125 LYS 126 ARG 127 ASN 128 MET 129 PRO 130 VAL 131 ILE 132 LEU 133 ASP 134 ILE 135 THR 136 ARG 137 LEU 138 PRO 139 ASP 140 GLN 141 PRO 142 SER 143 PHE 144 ALA 145 ASP 146 ILE 147 LYS 148 GLU 149 ILE 150 ALA 151 ARG 152 LYS 153 THR 154 VAL 155 GLY 156 LEU 157 PHE 158 ALA 159 ASP 160 GLY 161 THR 162 PHE 163 ASP 164 GLU 165 LEU 166 TYR 167 MET 168 TYR 169 TYR 170 ASN 171 HIS 172 TYR 173 VAL 174 SER 175 ALA 176 ILE 177 GLN 178 GLN 179 GLU 180 VAL 181 THR 182 GLU 183 ARG 184 LYS 185 LEU 186 LEU 187 PRO 188 LEU 189 THR 190 ASP 191 LEU 192 ALA 193 GLU 194 ASN 195 LYS 196 GLN 197 ARG 198 THR 199 VAL 200 TYR 201 GLU 202 PHE 203 GLU 204 PRO 205 SER 206 GLN 207 GLU 208 GLU 209 ILE 210 LEU 211 ASP 212 VAL 213 LEU 214 LEU 215 PRO 216 GLN 217 TYR 218 ALA 219 GLU 220 SER 221 LEU 222 ILE 223 TYR 224 GLY 225 ALA 226 LEU 227 LEU 228 ASP 229 ALA 230 LYS 231 ALA 232 SER 233 GLU 234 HIS 235 ALA 236 ALA 237 ARG 238 MET 239 THR 240 ALA 241 MET 242 LYS 243 ASN 244 ALA 245 THR 246 ASP 247 ASN 248 ALA 249 ASN 250 GLU 251 LEU 252 ILE 253 ARG 254 THR 255 LEU 256 THR 257 LEU 258 SER 259 TYR 260 ASN 261 ARG 262 ALA 263 ARG 264 GLN 265 ALA 266 ALA 267 ILE 268 THR 269 GLN 270 GLU 271 ILE 272 THR 273 GLU 274 ILE 275 VAL 276 ALA 277 GLY 278 ALA 279 ASN 280 ALA 281 LEU 282 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value EMBL CAA30653 "unnamed protein product [Bacillus sp. PS3]" 100.00 286 100.00 100.00 0.00e+00 EMBL CAA30654 "unnamed protein product [Bacillus sp. PS3]" 100.00 282 100.00 100.00 0.00e+00 PIR S01402 "H+-transporting two-sector ATPase (EC 3.6.3.14) gamma chain - thermophilic bacterium PS-3" 100.00 286 100.00 100.00 0.00e+00 SP P09222 "RecName: Full=ATP synthase gamma chain; AltName: Full=ATP synthase F1 sector gamma subunit; AltName: Full=F-ATPase gamma subuni" 100.00 286 100.00 100.00 0.00e+00 stop_ save_ save_epsilon_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'F1 ATPase epsilon subunit' _Molecular_mass . _Mol_thiol_state 'not present' _Details ; Epsilon subunit is trancated form which is residue 1-90 (Full length protein is residue 1-134 ; _Residue_count 90 _Mol_residue_sequence ; MKTIHVSVVTPDGPVYEDDV EMVSVKAKSGELGILPGHIP LVAPLEISAARLKKGGKTQY IAVSGGFLEVRPDNVTILAQ AAERAEDIDV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 THR 4 ILE 5 HIS 6 VAL 7 SER 8 VAL 9 VAL 10 THR 11 PRO 12 ASP 13 GLY 14 PRO 15 VAL 16 TYR 17 GLU 18 ASP 19 ASP 20 VAL 21 GLU 22 MET 23 VAL 24 SER 25 VAL 26 LYS 27 ALA 28 LYS 29 SER 30 GLY 31 GLU 32 LEU 33 GLY 34 ILE 35 LEU 36 PRO 37 GLY 38 HIS 39 ILE 40 PRO 41 LEU 42 VAL 43 ALA 44 PRO 45 LEU 46 GLU 47 ILE 48 SER 49 ALA 50 ALA 51 ARG 52 LEU 53 LYS 54 LYS 55 GLY 56 GLY 57 LYS 58 THR 59 GLN 60 TYR 61 ILE 62 ALA 63 VAL 64 SER 65 GLY 66 GLY 67 PHE 68 LEU 69 GLU 70 VAL 71 ARG 72 PRO 73 ASP 74 ASN 75 VAL 76 THR 77 ILE 78 LEU 79 ALA 80 GLN 81 ALA 82 ALA 83 GLU 84 ARG 85 ALA 86 GLU 87 ASP 88 ILE 89 ASP 90 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2E5Y "Epsilon Subunit And Atp Complex Of F1f0-Atp Synthase From The Thermophilic Bacillus Ps3" 100.00 133 98.89 98.89 1.90e-55 DBJ BAA07249 "ATPase subunit epsilon [ [[Bacillus] caldotenax]" 100.00 132 97.78 97.78 5.37e-54 DBJ BAA07256 "ATPase subunit epsilon [Geobacillus stearothermophilus]" 100.00 132 98.89 98.89 1.42e-55 DBJ BAA96810 "FoF1-ATP synthase epsilon subunit [Bacillus sp. PS3]" 100.00 133 98.89 98.89 1.90e-55 DBJ BAD77642 "F0F1-type ATP synthaseepsilon chain [Geobacillus kaustophilus HTA426]" 100.00 133 98.89 98.89 1.90e-55 DBJ GAD12924 "ATP synthase F0F1 subunit epsilon [Geobacillus kaustophilus GBlys]" 100.00 133 98.89 98.89 1.90e-55 EMBL CAA27607 "ATPase epsilon subunit (aa 1-132) [Bacillus sp. PS3]" 100.00 132 100.00 100.00 3.84e-56 EMBL CAA30656 "unnamed protein product [Bacillus sp. PS3]" 100.00 132 100.00 100.00 3.84e-56 GB ACX79962 "ATP synthase F1, epsilon subunit [Geobacillus sp. Y412MC61]" 100.00 133 98.89 98.89 1.90e-55 GB ADI28255 "ATP synthase F1, epsilon subunit [Geobacillus sp. C56-T3]" 100.00 133 98.89 98.89 1.90e-55 GB ADU95790 "ATP synthase F1, epsilon subunit [Geobacillus sp. Y412MC52]" 100.00 133 98.89 98.89 1.90e-55 GB AEV21070 "ATP synthase epsilon chain [Geobacillus thermoleovorans CCB_US3_UF5]" 100.00 133 98.89 98.89 1.90e-55 GB AGE23942 "ATP synthase component F1 subunit epsilon [Geobacillus sp. GHH01]" 100.00 133 100.00 100.00 2.11e-56 PIR S02256 "H+-transporting two-sector ATPase (EC 3.6.3.14) epsilon chain - thermophilic bacterium PS-3" 100.00 132 100.00 100.00 3.84e-56 REF WP_011232824 "MULTISPECIES: F0F1 ATP synthase subunit epsilon [Geobacillus]" 100.00 133 98.89 98.89 1.90e-55 REF WP_015376059 "MULTISPECIES: ATP synthase component F1 subunit epsilon [Geobacillus]" 100.00 133 100.00 100.00 2.11e-56 REF WP_033010830 "ATP synthase F0F1 subunit epsilon [Geobacillus stearothermophilus]" 100.00 133 98.89 100.00 6.06e-56 REF WP_033017484 "ATP synthase F0F1 subunit epsilon [Geobacillus stearothermophilus]" 100.00 133 98.89 100.00 3.05e-56 REF WP_033020486 "MULTISPECIES: ATP synthase F0F1 subunit epsilon [Geobacillus]" 100.00 133 98.89 98.89 2.03e-55 SP P07678 "RecName: Full=ATP synthase epsilon chain; AltName: Full=ATP synthase F1 sector epsilon subunit; AltName: Full=F-ATPase epsilon " 100.00 132 100.00 100.00 3.84e-56 SP P41012 "RecName: Full=ATP synthase epsilon chain; AltName: Full=ATP synthase F1 sector epsilon subunit; AltName: Full=F-ATPase epsilon " 100.00 132 97.78 97.78 5.37e-54 SP P42009 "RecName: Full=ATP synthase epsilon chain; AltName: Full=ATP synthase F1 sector epsilon subunit; AltName: Full=F-ATPase epsilon " 100.00 132 98.89 98.89 1.42e-55 SP Q5KUJ4 "RecName: Full=ATP synthase epsilon chain; AltName: Full=ATP synthase F1 sector epsilon subunit; AltName: Full=F-ATPase epsilon " 100.00 133 98.89 98.89 1.90e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $beta_subunit 'Bacillus PS3' 2334 Bacteria . Bacillus 'sp. PS3' $alpha_subunit 'Bacillus PS3' 2334 Bacteria . Bacillus 'sp. PS3' $gamma_subunit 'Bacillus PS3' 2334 Bacteria . Bacillus 'sp. PS3' $epsilon_subunit 'Bacillus PS3' 2334 Bacteria . Bacillus 'sp. PS3' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $beta_subunit 'recombinant technology' . Escherichia coli . pET21 $alpha_subunit 'recombinant technology' . Escherichia coli . . $gamma_subunit 'recombinant technology' . Escherichia coli . . $epsilon_subunit 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Beta subunit was segmentally labeled (391-473)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $beta_subunit 0.1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $alpha_subunit 0.1 mM 'natural abundance' $gamma_subunit 0.03 mM 'natural abundance' $epsilon_subunit 0.03 mM 'natural abundance' Na2SO4 100 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_CRINEPT_HMQC_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CRINEPT HMQC TROSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 8.0 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N CRINEPT HMQC TROSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'F1 ATPase beta subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 393 393 SER H H 9.304 0.02 1 2 393 393 SER N N 118.964 0.1 1 3 395 395 GLU H H 8.597 0.02 1 4 395 395 GLU N N 119.303 0.1 1 5 396 396 ASP H H 7.786 0.02 1 6 396 396 ASP N N 121.268 0.1 1 7 397 397 LYS H H 8.589 0.02 1 8 397 397 LYS N N 119.730 0.1 1 9 398 398 LEU H H 7.490 0.02 1 10 398 398 LEU N N 120.756 0.1 1 11 399 399 VAL H H 7.791 0.02 1 12 399 399 VAL N N 120.860 0.1 1 13 400 400 VAL H H 7.924 0.02 1 14 400 400 VAL N N 118.538 0.1 1 15 401 401 HIS H H 7.831 0.02 1 16 401 401 HIS N N 117.908 0.1 1 17 402 402 ARG H H 8.505 0.02 1 18 402 402 ARG N N 116.475 0.1 1 19 403 403 ALA H H 9.444 0.02 1 20 403 403 ALA N N 122.360 0.1 1 21 404 404 ARG H H 7.517 0.02 1 22 404 404 ARG N N 114.074 0.1 1 23 405 405 ARG H H 5.733 0.02 1 24 405 405 ARG N N 114.701 0.1 1 25 406 406 ILE H H 8.378 0.02 1 26 406 406 ILE N N 119.762 0.1 1 27 407 407 GLN H H 8.624 0.02 1 28 407 407 GLN N N 117.065 0.1 1 29 408 408 PHE H H 7.446 0.02 1 30 408 408 PHE N N 114.141 0.1 1 31 409 409 PHE H H 9.127 0.02 1 32 409 409 PHE N N 126.527 0.1 1 33 410 410 LEU H H 7.601 0.02 1 34 410 410 LEU N N 115.454 0.1 1 35 411 411 SER H H 8.236 0.02 1 36 411 411 SER N N 119.032 0.1 1 37 412 412 GLN H H 9.373 0.02 1 38 412 412 GLN N N 120.502 0.1 1 39 413 413 ASN H H 9.550 0.02 1 40 413 413 ASN N N 118.328 0.1 1 41 414 414 PHE H H 8.191 0.02 1 42 414 414 PHE N N 124.018 0.1 1 43 416 416 VAL H H 9.802 0.02 1 44 416 416 VAL N N 113.976 0.1 1 45 417 417 ALA H H 6.936 0.02 1 46 417 417 ALA N N 119.868 0.1 1 47 418 418 GLU H H 7.430 0.02 1 48 418 418 GLU N N 123.483 0.1 1 49 419 419 GLN H H 8.286 0.02 1 50 419 419 GLN N N 115.655 0.1 1 51 420 420 PHE H H 7.563 0.02 1 52 420 420 PHE N N 117.102 0.1 1 53 421 421 THR H H 8.332 0.02 1 54 421 421 THR N N 110.082 0.1 1 55 422 422 GLY H H 8.614 0.02 1 56 422 422 GLY N N 111.402 0.1 1 57 423 423 GLN H H 8.008 0.02 1 58 423 423 GLN N N 121.533 0.1 1 59 425 425 GLY H H 8.741 0.02 1 60 425 425 GLY N N 107.420 0.1 1 61 426 426 SER H H 7.573 0.02 1 62 426 426 SER N N 109.789 0.1 1 63 427 427 TYR H H 8.614 0.02 1 64 427 427 TYR N N 125.476 0.1 1 65 428 428 VAL H H 8.623 0.02 1 66 428 428 VAL N N 132.253 0.1 1 67 430 430 VAL H H 9.302 0.02 1 68 430 430 VAL N N 126.672 0.1 1 69 431 431 LYS H H 8.646 0.02 1 70 431 431 LYS N N 118.842 0.1 1 71 432 432 GLU H H 7.483 0.02 1 72 432 432 GLU N N 117.202 0.1 1 73 433 433 THR H H 8.451 0.02 1 74 433 433 THR N N 126.100 0.1 1 75 434 434 VAL H H 8.490 0.02 1 76 434 434 VAL N N 119.898 0.1 1 77 435 435 ARG H H 7.398 0.02 1 78 435 435 ARG N N 117.160 0.1 1 79 436 436 GLY H H 8.495 0.02 1 80 436 436 GLY N N 104.342 0.1 1 81 437 437 PHE H H 8.123 0.02 1 82 437 437 PHE N N 116.225 0.1 1 83 438 438 LYS H H 8.655 0.02 1 84 438 438 LYS N N 121.607 0.1 1 85 439 439 GLU H H 8.314 0.02 1 86 439 439 GLU N N 116.058 0.1 1 87 440 440 ILE H H 7.929 0.02 1 88 440 440 ILE N N 118.181 0.1 1 89 441 441 LEU H H 8.440 0.02 1 90 441 441 LEU N N 120.578 0.1 1 91 442 442 GLU H H 7.714 0.02 1 92 442 442 GLU N N 115.518 0.1 1 93 443 443 GLY H H 7.936 0.02 1 94 443 443 GLY N N 106.879 0.1 1 95 444 444 LYS H H 7.615 0.02 1 96 444 444 LYS N N 118.844 0.1 1 97 445 445 TYR H H 8.194 0.02 1 98 445 445 TYR N N 112.680 0.1 1 99 446 446 ASP H H 7.242 0.02 1 100 446 446 ASP N N 119.832 0.1 1 101 448 448 LEU H H 7.214 0.02 1 102 448 448 LEU N N 121.733 0.1 1 103 450 450 GLU H H 8.764 0.02 1 104 450 450 GLU N N 120.894 0.1 1 105 451 451 ASP H H 8.626 0.02 1 106 451 451 ASP N N 114.766 0.1 1 107 452 452 ALA H H 7.694 0.02 1 108 452 452 ALA N N 119.989 0.1 1 109 453 453 PHE H H 7.497 0.02 1 110 453 453 PHE N N 109.022 0.1 1 111 454 454 ARG H H 6.855 0.02 1 112 454 454 ARG N N 116.136 0.1 1 113 455 455 LEU H H 8.380 0.02 1 114 455 455 LEU N N 119.431 0.1 1 115 456 456 VAL H H 9.018 0.02 1 116 456 456 VAL N N 113.951 0.1 1 117 457 457 GLY H H 8.260 0.02 1 118 457 457 GLY N N 108.994 0.1 1 119 458 458 ARG H H 8.003 0.02 1 120 458 458 ARG N N 124.424 0.1 1 121 460 460 GLU H H 9.049 0.02 1 122 460 460 GLU N N 121.767 0.1 1 123 461 461 GLU H H 7.936 0.02 1 124 461 461 GLU N N 117.645 0.1 1 125 462 462 VAL H H 7.459 0.02 1 126 462 462 VAL N N 122.007 0.1 1 127 463 463 VAL H H 6.438 0.02 1 128 463 463 VAL N N 118.351 0.1 1 129 464 464 GLU H H 7.393 0.02 1 130 464 464 GLU N N 116.879 0.1 1 131 465 465 LYS H H 7.977 0.02 1 132 465 465 LYS N N 122.148 0.1 1 133 466 466 ALA H H 8.381 0.02 1 134 466 466 ALA N N 120.443 0.1 1 135 467 467 LYS H H 8.006 0.02 1 136 467 467 LYS N N 119.009 0.1 1 137 468 468 ALA H H 7.735 0.02 1 138 468 468 ALA N N 122.675 0.1 1 139 469 469 MET H H 7.696 0.02 1 140 469 469 MET N N 116.388 0.1 1 141 470 470 GLY H H 7.875 0.02 1 142 470 470 GLY N N 106.851 0.1 1 143 471 471 VAL H H 7.601 0.02 1 144 471 471 VAL N N 119.707 0.1 1 145 472 472 GLU H H 8.347 0.02 1 146 472 472 GLU N N 126.145 0.1 1 147 473 473 VAL H H 7.577 0.02 1 148 473 473 VAL N N 126.172 0.1 1 stop_ save_