data_25504 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25504 _Entry.Title ; Staphylococcus aureus FusB:EF-GC3 complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-25 _Entry.Accession_date 2015-02-25 _Entry.Last_release_date 2016-01-25 _Entry.Original_release_date 2016-01-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.93 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; A structural model of the complex between the fusidic acid resistance protein FusB and a truncated form of EF-G. This model was produced using NMR data to dock X-ray structures. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jennifer Tomlinson . H. . . 25504 2 Gary Thompson . S. . . 25504 3 Arnout Kalverda . P. . . 25504 4 Anastasia Zhuravleva . . . . 25504 5 Alex O'Neill . . . . 25504 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25504 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "O'Neill group" . 25504 2 . 'NMR group' . 25504 3 . 'Homans group' . 25504 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EF-G . 25504 FusB . 25504 allostery . 25504 'antibiotic resistance' . 25504 complex . 25504 'fusidic acid' . 25504 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25504 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 25504 '15N chemical shifts' 283 25504 '1H chemical shifts' 283 25504 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 . . 2016-01-25 . original BMRB . 25504 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17503 'S. aureus FusB assigned chemical shifts in the apo state.' 25504 BMRB 25368 'S. aureus EF-GC3 assigned chemical shifts in the apo state.' 25504 PDB 2MZW 'BMRB Entry Tracking System' 25504 PDB 2XEX 'Crystal structure of S. aureus EF-G.' 25504 PDB 4ADN 'Crystal structure of S. aureus FusB.' 25504 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25504 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26781961 _Citation.Full_citation . _Citation.Title ; A target-protection mechanism of antibiotic resistance at atomic resolution: insights into FusB-type fusidic acid resistance ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 19524 _Citation.Page_last 19524 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jennifer Tomlinson . H. . . 25504 1 2 Gary Thompson . S. . . 25504 1 3 Arnout Kalverda . P. . . 25504 1 4 Anastasia Zhuravleva . . . . 25504 1 5 Alex O'Neill . . . . 25504 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25504 _Assembly.ID 1 _Assembly.Name 'Staphylococcus aureus FusB:EF-GC3 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'Zinc ion coordinated by FusB C-terminal domain.' _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 EF-GC3 1 $EF-GC3 A . yes native no no . . . 25504 1 2 FusB 2 $FusB B . yes native no no . . . 25504 1 3 'ZINC ION' 3 $entity_ZN C . no native no no . . . 25504 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 2 CYS 177 177 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25504 1 2 coordination single . 2 . 2 CYS 180 180 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25504 1 3 coordination single . 2 . 2 CYS 209 209 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25504 1 4 coordination single . 2 . 2 CYS 215 215 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25504 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EF-GC3 _Entity.Sf_category entity _Entity.Sf_framecode EF-GC3 _Entity.Entry_ID 25504 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EF-GC3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEFPEPVIHLSVEPKSKADQ DKMTQALVKLQEEDPTFHAH TDEETGQVIIGGMGELHLDI LVDRMKKEFNVECNVGAPMV SYRETFKSSAQVQGKFSRQS GGRGQYGDVHIEFTPNETGA GFEFENAIVGGVVPREYIPS VEAGLKDAMENGVLAGYPLI DVKAKLYDGSYHDVDSSEMA FKIAASLALKEAAKKCDPVI LEPMMKVTIEMPEEYMGDIM GDVTSRRGRVDGMEPRGNAQ VVNAYVPLSEMFGYATSLRS NTQGRGTYTMYFDHYAEVPK SIAEDIIKKNKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues are numbered from 401 as this is a truncated form of EF-G comprising domains III-V.' _Entity.Polymer_author_seq_details ; This is a truncated form of the protein comprising domains III-V and beginning at residue 401 of full length EF-G. Residues 694-701 represent a non-native affinity tag. ; _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 292 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Truncation of full length EF-G to comprise domains III-V (residues 401-693).' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 32272.721 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes NCBI P68790 . EF-G . . . . . . . . . . . . . . 25504 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 401 MET . 25504 1 2 402 GLU . 25504 1 3 403 PHE . 25504 1 4 404 PRO . 25504 1 5 405 GLU . 25504 1 6 406 PRO . 25504 1 7 407 VAL . 25504 1 8 408 ILE . 25504 1 9 409 HIS . 25504 1 10 410 LEU . 25504 1 11 411 SER . 25504 1 12 412 VAL . 25504 1 13 413 GLU . 25504 1 14 414 PRO . 25504 1 15 415 LYS . 25504 1 16 416 SER . 25504 1 17 417 LYS . 25504 1 18 418 ALA . 25504 1 19 419 ASP . 25504 1 20 420 GLN . 25504 1 21 421 ASP . 25504 1 22 422 LYS . 25504 1 23 423 MET . 25504 1 24 424 THR . 25504 1 25 425 GLN . 25504 1 26 426 ALA . 25504 1 27 427 LEU . 25504 1 28 428 VAL . 25504 1 29 429 LYS . 25504 1 30 430 LEU . 25504 1 31 431 GLN . 25504 1 32 432 GLU . 25504 1 33 433 GLU . 25504 1 34 434 ASP . 25504 1 35 435 PRO . 25504 1 36 436 THR . 25504 1 37 437 PHE . 25504 1 38 438 HIS . 25504 1 39 439 ALA . 25504 1 40 440 HIS . 25504 1 41 441 THR . 25504 1 42 442 ASP . 25504 1 43 443 GLU . 25504 1 44 444 GLU . 25504 1 45 445 THR . 25504 1 46 446 GLY . 25504 1 47 447 GLN . 25504 1 48 448 VAL . 25504 1 49 449 ILE . 25504 1 50 450 ILE . 25504 1 51 451 GLY . 25504 1 52 452 GLY . 25504 1 53 453 MET . 25504 1 54 454 GLY . 25504 1 55 455 GLU . 25504 1 56 456 LEU . 25504 1 57 457 HIS . 25504 1 58 458 LEU . 25504 1 59 459 ASP . 25504 1 60 460 ILE . 25504 1 61 461 LEU . 25504 1 62 462 VAL . 25504 1 63 463 ASP . 25504 1 64 464 ARG . 25504 1 65 465 MET . 25504 1 66 466 LYS . 25504 1 67 467 LYS . 25504 1 68 468 GLU . 25504 1 69 469 PHE . 25504 1 70 470 ASN . 25504 1 71 471 VAL . 25504 1 72 472 GLU . 25504 1 73 473 CYS . 25504 1 74 474 ASN . 25504 1 75 475 VAL . 25504 1 76 476 GLY . 25504 1 77 477 ALA . 25504 1 78 478 PRO . 25504 1 79 479 MET . 25504 1 80 480 VAL . 25504 1 81 481 SER . 25504 1 82 482 TYR . 25504 1 83 483 ARG . 25504 1 84 484 GLU . 25504 1 85 485 THR . 25504 1 86 486 PHE . 25504 1 87 487 LYS . 25504 1 88 488 SER . 25504 1 89 489 SER . 25504 1 90 490 ALA . 25504 1 91 491 GLN . 25504 1 92 492 VAL . 25504 1 93 493 GLN . 25504 1 94 494 GLY . 25504 1 95 495 LYS . 25504 1 96 496 PHE . 25504 1 97 497 SER . 25504 1 98 498 ARG . 25504 1 99 499 GLN . 25504 1 100 500 SER . 25504 1 101 501 GLY . 25504 1 102 502 GLY . 25504 1 103 503 ARG . 25504 1 104 504 GLY . 25504 1 105 505 GLN . 25504 1 106 506 TYR . 25504 1 107 507 GLY . 25504 1 108 508 ASP . 25504 1 109 509 VAL . 25504 1 110 510 HIS . 25504 1 111 511 ILE . 25504 1 112 512 GLU . 25504 1 113 513 PHE . 25504 1 114 514 THR . 25504 1 115 515 PRO . 25504 1 116 516 ASN . 25504 1 117 517 GLU . 25504 1 118 518 THR . 25504 1 119 519 GLY . 25504 1 120 520 ALA . 25504 1 121 521 GLY . 25504 1 122 522 PHE . 25504 1 123 523 GLU . 25504 1 124 524 PHE . 25504 1 125 525 GLU . 25504 1 126 526 ASN . 25504 1 127 527 ALA . 25504 1 128 528 ILE . 25504 1 129 529 VAL . 25504 1 130 530 GLY . 25504 1 131 531 GLY . 25504 1 132 532 VAL . 25504 1 133 533 VAL . 25504 1 134 534 PRO . 25504 1 135 535 ARG . 25504 1 136 536 GLU . 25504 1 137 537 TYR . 25504 1 138 538 ILE . 25504 1 139 539 PRO . 25504 1 140 540 SER . 25504 1 141 541 VAL . 25504 1 142 542 GLU . 25504 1 143 543 ALA . 25504 1 144 544 GLY . 25504 1 145 545 LEU . 25504 1 146 546 LYS . 25504 1 147 547 ASP . 25504 1 148 548 ALA . 25504 1 149 549 MET . 25504 1 150 550 GLU . 25504 1 151 551 ASN . 25504 1 152 552 GLY . 25504 1 153 553 VAL . 25504 1 154 554 LEU . 25504 1 155 555 ALA . 25504 1 156 556 GLY . 25504 1 157 557 TYR . 25504 1 158 558 PRO . 25504 1 159 559 LEU . 25504 1 160 560 ILE . 25504 1 161 561 ASP . 25504 1 162 562 VAL . 25504 1 163 563 LYS . 25504 1 164 564 ALA . 25504 1 165 565 LYS . 25504 1 166 566 LEU . 25504 1 167 567 TYR . 25504 1 168 568 ASP . 25504 1 169 569 GLY . 25504 1 170 570 SER . 25504 1 171 571 TYR . 25504 1 172 572 HIS . 25504 1 173 573 ASP . 25504 1 174 574 VAL . 25504 1 175 575 ASP . 25504 1 176 576 SER . 25504 1 177 577 SER . 25504 1 178 578 GLU . 25504 1 179 579 MET . 25504 1 180 580 ALA . 25504 1 181 581 PHE . 25504 1 182 582 LYS . 25504 1 183 583 ILE . 25504 1 184 584 ALA . 25504 1 185 585 ALA . 25504 1 186 586 SER . 25504 1 187 587 LEU . 25504 1 188 588 ALA . 25504 1 189 589 LEU . 25504 1 190 590 LYS . 25504 1 191 591 GLU . 25504 1 192 592 ALA . 25504 1 193 593 ALA . 25504 1 194 594 LYS . 25504 1 195 595 LYS . 25504 1 196 596 CYS . 25504 1 197 597 ASP . 25504 1 198 598 PRO . 25504 1 199 599 VAL . 25504 1 200 600 ILE . 25504 1 201 601 LEU . 25504 1 202 602 GLU . 25504 1 203 603 PRO . 25504 1 204 604 MET . 25504 1 205 605 MET . 25504 1 206 606 LYS . 25504 1 207 607 VAL . 25504 1 208 608 THR . 25504 1 209 609 ILE . 25504 1 210 610 GLU . 25504 1 211 611 MET . 25504 1 212 612 PRO . 25504 1 213 613 GLU . 25504 1 214 614 GLU . 25504 1 215 615 TYR . 25504 1 216 616 MET . 25504 1 217 617 GLY . 25504 1 218 618 ASP . 25504 1 219 619 ILE . 25504 1 220 620 MET . 25504 1 221 621 GLY . 25504 1 222 622 ASP . 25504 1 223 623 VAL . 25504 1 224 624 THR . 25504 1 225 625 SER . 25504 1 226 626 ARG . 25504 1 227 627 ARG . 25504 1 228 628 GLY . 25504 1 229 629 ARG . 25504 1 230 630 VAL . 25504 1 231 631 ASP . 25504 1 232 632 GLY . 25504 1 233 633 MET . 25504 1 234 634 GLU . 25504 1 235 635 PRO . 25504 1 236 636 ARG . 25504 1 237 637 GLY . 25504 1 238 638 ASN . 25504 1 239 639 ALA . 25504 1 240 640 GLN . 25504 1 241 641 VAL . 25504 1 242 642 VAL . 25504 1 243 643 ASN . 25504 1 244 644 ALA . 25504 1 245 645 TYR . 25504 1 246 646 VAL . 25504 1 247 647 PRO . 25504 1 248 648 LEU . 25504 1 249 649 SER . 25504 1 250 650 GLU . 25504 1 251 651 MET . 25504 1 252 652 PHE . 25504 1 253 653 GLY . 25504 1 254 654 TYR . 25504 1 255 655 ALA . 25504 1 256 656 THR . 25504 1 257 657 SER . 25504 1 258 658 LEU . 25504 1 259 659 ARG . 25504 1 260 660 SER . 25504 1 261 661 ASN . 25504 1 262 662 THR . 25504 1 263 663 GLN . 25504 1 264 664 GLY . 25504 1 265 665 ARG . 25504 1 266 666 GLY . 25504 1 267 667 THR . 25504 1 268 668 TYR . 25504 1 269 669 THR . 25504 1 270 670 MET . 25504 1 271 671 TYR . 25504 1 272 672 PHE . 25504 1 273 673 ASP . 25504 1 274 674 HIS . 25504 1 275 675 TYR . 25504 1 276 676 ALA . 25504 1 277 677 GLU . 25504 1 278 678 VAL . 25504 1 279 679 PRO . 25504 1 280 680 LYS . 25504 1 281 681 SER . 25504 1 282 682 ILE . 25504 1 283 683 ALA . 25504 1 284 684 GLU . 25504 1 285 685 ASP . 25504 1 286 686 ILE . 25504 1 287 687 ILE . 25504 1 288 688 LYS . 25504 1 289 689 LYS . 25504 1 290 690 ASN . 25504 1 291 691 LYS . 25504 1 292 692 GLY . 25504 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 . MET 1 1 25504 1 . GLU 2 2 25504 1 . PHE 3 3 25504 1 . PRO 4 4 25504 1 . GLU 5 5 25504 1 . PRO 6 6 25504 1 . VAL 7 7 25504 1 . ILE 8 8 25504 1 . HIS 9 9 25504 1 . LEU 10 10 25504 1 . SER 11 11 25504 1 . VAL 12 12 25504 1 . GLU 13 13 25504 1 . PRO 14 14 25504 1 . LYS 15 15 25504 1 . SER 16 16 25504 1 . LYS 17 17 25504 1 . ALA 18 18 25504 1 . ASP 19 19 25504 1 . GLN 20 20 25504 1 . ASP 21 21 25504 1 . LYS 22 22 25504 1 . MET 23 23 25504 1 . THR 24 24 25504 1 . GLN 25 25 25504 1 . ALA 26 26 25504 1 . LEU 27 27 25504 1 . VAL 28 28 25504 1 . LYS 29 29 25504 1 . LEU 30 30 25504 1 . GLN 31 31 25504 1 . GLU 32 32 25504 1 . GLU 33 33 25504 1 . ASP 34 34 25504 1 . PRO 35 35 25504 1 . THR 36 36 25504 1 . PHE 37 37 25504 1 . HIS 38 38 25504 1 . ALA 39 39 25504 1 . HIS 40 40 25504 1 . THR 41 41 25504 1 . ASP 42 42 25504 1 . GLU 43 43 25504 1 . GLU 44 44 25504 1 . THR 45 45 25504 1 . GLY 46 46 25504 1 . GLN 47 47 25504 1 . VAL 48 48 25504 1 . ILE 49 49 25504 1 . ILE 50 50 25504 1 . GLY 51 51 25504 1 . GLY 52 52 25504 1 . MET 53 53 25504 1 . GLY 54 54 25504 1 . GLU 55 55 25504 1 . LEU 56 56 25504 1 . HIS 57 57 25504 1 . LEU 58 58 25504 1 . ASP 59 59 25504 1 . ILE 60 60 25504 1 . LEU 61 61 25504 1 . VAL 62 62 25504 1 . ASP 63 63 25504 1 . ARG 64 64 25504 1 . MET 65 65 25504 1 . LYS 66 66 25504 1 . LYS 67 67 25504 1 . GLU 68 68 25504 1 . PHE 69 69 25504 1 . ASN 70 70 25504 1 . VAL 71 71 25504 1 . GLU 72 72 25504 1 . CYS 73 73 25504 1 . ASN 74 74 25504 1 . VAL 75 75 25504 1 . GLY 76 76 25504 1 . ALA 77 77 25504 1 . PRO 78 78 25504 1 . MET 79 79 25504 1 . VAL 80 80 25504 1 . SER 81 81 25504 1 . TYR 82 82 25504 1 . ARG 83 83 25504 1 . GLU 84 84 25504 1 . THR 85 85 25504 1 . PHE 86 86 25504 1 . LYS 87 87 25504 1 . SER 88 88 25504 1 . SER 89 89 25504 1 . ALA 90 90 25504 1 . GLN 91 91 25504 1 . VAL 92 92 25504 1 . GLN 93 93 25504 1 . GLY 94 94 25504 1 . LYS 95 95 25504 1 . PHE 96 96 25504 1 . SER 97 97 25504 1 . ARG 98 98 25504 1 . GLN 99 99 25504 1 . SER 100 100 25504 1 . GLY 101 101 25504 1 . GLY 102 102 25504 1 . ARG 103 103 25504 1 . GLY 104 104 25504 1 . GLN 105 105 25504 1 . TYR 106 106 25504 1 . GLY 107 107 25504 1 . ASP 108 108 25504 1 . VAL 109 109 25504 1 . HIS 110 110 25504 1 . ILE 111 111 25504 1 . GLU 112 112 25504 1 . PHE 113 113 25504 1 . THR 114 114 25504 1 . PRO 115 115 25504 1 . ASN 116 116 25504 1 . GLU 117 117 25504 1 . THR 118 118 25504 1 . GLY 119 119 25504 1 . ALA 120 120 25504 1 . GLY 121 121 25504 1 . PHE 122 122 25504 1 . GLU 123 123 25504 1 . PHE 124 124 25504 1 . GLU 125 125 25504 1 . ASN 126 126 25504 1 . ALA 127 127 25504 1 . ILE 128 128 25504 1 . VAL 129 129 25504 1 . GLY 130 130 25504 1 . GLY 131 131 25504 1 . VAL 132 132 25504 1 . VAL 133 133 25504 1 . PRO 134 134 25504 1 . ARG 135 135 25504 1 . GLU 136 136 25504 1 . TYR 137 137 25504 1 . ILE 138 138 25504 1 . PRO 139 139 25504 1 . SER 140 140 25504 1 . VAL 141 141 25504 1 . GLU 142 142 25504 1 . ALA 143 143 25504 1 . GLY 144 144 25504 1 . LEU 145 145 25504 1 . LYS 146 146 25504 1 . ASP 147 147 25504 1 . ALA 148 148 25504 1 . MET 149 149 25504 1 . GLU 150 150 25504 1 . ASN 151 151 25504 1 . GLY 152 152 25504 1 . VAL 153 153 25504 1 . LEU 154 154 25504 1 . ALA 155 155 25504 1 . GLY 156 156 25504 1 . TYR 157 157 25504 1 . PRO 158 158 25504 1 . LEU 159 159 25504 1 . ILE 160 160 25504 1 . ASP 161 161 25504 1 . VAL 162 162 25504 1 . LYS 163 163 25504 1 . ALA 164 164 25504 1 . LYS 165 165 25504 1 . LEU 166 166 25504 1 . TYR 167 167 25504 1 . ASP 168 168 25504 1 . GLY 169 169 25504 1 . SER 170 170 25504 1 . TYR 171 171 25504 1 . HIS 172 172 25504 1 . ASP 173 173 25504 1 . VAL 174 174 25504 1 . ASP 175 175 25504 1 . SER 176 176 25504 1 . SER 177 177 25504 1 . GLU 178 178 25504 1 . MET 179 179 25504 1 . ALA 180 180 25504 1 . PHE 181 181 25504 1 . LYS 182 182 25504 1 . ILE 183 183 25504 1 . ALA 184 184 25504 1 . ALA 185 185 25504 1 . SER 186 186 25504 1 . LEU 187 187 25504 1 . ALA 188 188 25504 1 . LEU 189 189 25504 1 . LYS 190 190 25504 1 . GLU 191 191 25504 1 . ALA 192 192 25504 1 . ALA 193 193 25504 1 . LYS 194 194 25504 1 . LYS 195 195 25504 1 . CYS 196 196 25504 1 . ASP 197 197 25504 1 . PRO 198 198 25504 1 . VAL 199 199 25504 1 . ILE 200 200 25504 1 . LEU 201 201 25504 1 . GLU 202 202 25504 1 . PRO 203 203 25504 1 . MET 204 204 25504 1 . MET 205 205 25504 1 . LYS 206 206 25504 1 . VAL 207 207 25504 1 . THR 208 208 25504 1 . ILE 209 209 25504 1 . GLU 210 210 25504 1 . MET 211 211 25504 1 . PRO 212 212 25504 1 . GLU 213 213 25504 1 . GLU 214 214 25504 1 . TYR 215 215 25504 1 . MET 216 216 25504 1 . GLY 217 217 25504 1 . ASP 218 218 25504 1 . ILE 219 219 25504 1 . MET 220 220 25504 1 . GLY 221 221 25504 1 . ASP 222 222 25504 1 . VAL 223 223 25504 1 . THR 224 224 25504 1 . SER 225 225 25504 1 . ARG 226 226 25504 1 . ARG 227 227 25504 1 . GLY 228 228 25504 1 . ARG 229 229 25504 1 . VAL 230 230 25504 1 . ASP 231 231 25504 1 . GLY 232 232 25504 1 . MET 233 233 25504 1 . GLU 234 234 25504 1 . PRO 235 235 25504 1 . ARG 236 236 25504 1 . GLY 237 237 25504 1 . ASN 238 238 25504 1 . ALA 239 239 25504 1 . GLN 240 240 25504 1 . VAL 241 241 25504 1 . VAL 242 242 25504 1 . ASN 243 243 25504 1 . ALA 244 244 25504 1 . TYR 245 245 25504 1 . VAL 246 246 25504 1 . PRO 247 247 25504 1 . LEU 248 248 25504 1 . SER 249 249 25504 1 . GLU 250 250 25504 1 . MET 251 251 25504 1 . PHE 252 252 25504 1 . GLY 253 253 25504 1 . TYR 254 254 25504 1 . ALA 255 255 25504 1 . THR 256 256 25504 1 . SER 257 257 25504 1 . LEU 258 258 25504 1 . ARG 259 259 25504 1 . SER 260 260 25504 1 . ASN 261 261 25504 1 . THR 262 262 25504 1 . GLN 263 263 25504 1 . GLY 264 264 25504 1 . ARG 265 265 25504 1 . GLY 266 266 25504 1 . THR 267 267 25504 1 . TYR 268 268 25504 1 . THR 269 269 25504 1 . MET 270 270 25504 1 . TYR 271 271 25504 1 . PHE 272 272 25504 1 . ASP 273 273 25504 1 . HIS 274 274 25504 1 . TYR 275 275 25504 1 . ALA 276 276 25504 1 . GLU 277 277 25504 1 . VAL 278 278 25504 1 . PRO 279 279 25504 1 . LYS 280 280 25504 1 . SER 281 281 25504 1 . ILE 282 282 25504 1 . ALA 283 283 25504 1 . GLU 284 284 25504 1 . ASP 285 285 25504 1 . ILE 286 286 25504 1 . ILE 287 287 25504 1 . LYS 288 288 25504 1 . LYS 289 289 25504 1 . ASN 290 290 25504 1 . LYS 291 291 25504 1 . GLY 292 292 25504 1 stop_ save_ save_FusB _Entity.Sf_category entity _Entity.Sf_framecode FusB _Entity.Entry_ID 25504 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FusB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPNGSH MKTMIYPHQYNYIRSVILRL KNVYKTVNDKETVKVIQSET YNDINEIFGHIDDDIEESLK VLMNIRLSNKEIEAILNKFL EYVVPFELPSPQKLQKVFKK VKKIKIPQFEEYDLKVSSFV GWNELASNRKYIIYYDEKKQ LKGLYGEISNQVVKGFCTIC NKESNVSLFMKKSKTNSDGQ YVKKGDYICRDSIHCNKQLT DINQFYNFIDKLD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -19-0 represent a non-native affinity tag.' _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 233 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25225.330 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes NCBI YP_009078429 . FusB . . . . . . . . . . . . . . 25504 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -19 MET . 25504 2 2 -18 GLY . 25504 2 3 -17 SER . 25504 2 4 -16 SER . 25504 2 5 -15 HIS . 25504 2 6 -14 HIS . 25504 2 7 -13 HIS . 25504 2 8 -12 HIS . 25504 2 9 -11 HIS . 25504 2 10 -10 HIS . 25504 2 11 -9 SER . 25504 2 12 -8 SER . 25504 2 13 -7 GLY . 25504 2 14 -6 LEU . 25504 2 15 -5 VAL . 25504 2 16 -4 PRO . 25504 2 17 -3 ASN . 25504 2 18 -2 GLY . 25504 2 19 -1 SER . 25504 2 20 0 HIS . 25504 2 21 1 MET . 25504 2 22 2 LYS . 25504 2 23 3 THR . 25504 2 24 4 MET . 25504 2 25 5 ILE . 25504 2 26 6 TYR . 25504 2 27 7 PRO . 25504 2 28 8 HIS . 25504 2 29 9 GLN . 25504 2 30 10 TYR . 25504 2 31 11 ASN . 25504 2 32 12 TYR . 25504 2 33 13 ILE . 25504 2 34 14 ARG . 25504 2 35 15 SER . 25504 2 36 16 VAL . 25504 2 37 17 ILE . 25504 2 38 18 LEU . 25504 2 39 19 ARG . 25504 2 40 20 LEU . 25504 2 41 21 LYS . 25504 2 42 22 ASN . 25504 2 43 23 VAL . 25504 2 44 24 TYR . 25504 2 45 25 LYS . 25504 2 46 26 THR . 25504 2 47 27 VAL . 25504 2 48 28 ASN . 25504 2 49 29 ASP . 25504 2 50 30 LYS . 25504 2 51 31 GLU . 25504 2 52 32 THR . 25504 2 53 33 VAL . 25504 2 54 34 LYS . 25504 2 55 35 VAL . 25504 2 56 36 ILE . 25504 2 57 37 GLN . 25504 2 58 38 SER . 25504 2 59 39 GLU . 25504 2 60 40 THR . 25504 2 61 41 TYR . 25504 2 62 42 ASN . 25504 2 63 43 ASP . 25504 2 64 44 ILE . 25504 2 65 45 ASN . 25504 2 66 46 GLU . 25504 2 67 47 ILE . 25504 2 68 48 PHE . 25504 2 69 49 GLY . 25504 2 70 50 HIS . 25504 2 71 51 ILE . 25504 2 72 52 ASP . 25504 2 73 53 ASP . 25504 2 74 54 ASP . 25504 2 75 55 ILE . 25504 2 76 56 GLU . 25504 2 77 57 GLU . 25504 2 78 58 SER . 25504 2 79 59 LEU . 25504 2 80 60 LYS . 25504 2 81 61 VAL . 25504 2 82 62 LEU . 25504 2 83 63 MET . 25504 2 84 64 ASN . 25504 2 85 65 ILE . 25504 2 86 66 ARG . 25504 2 87 67 LEU . 25504 2 88 68 SER . 25504 2 89 69 ASN . 25504 2 90 70 LYS . 25504 2 91 71 GLU . 25504 2 92 72 ILE . 25504 2 93 73 GLU . 25504 2 94 74 ALA . 25504 2 95 75 ILE . 25504 2 96 76 LEU . 25504 2 97 77 ASN . 25504 2 98 78 LYS . 25504 2 99 79 PHE . 25504 2 100 80 LEU . 25504 2 101 81 GLU . 25504 2 102 82 TYR . 25504 2 103 83 VAL . 25504 2 104 84 VAL . 25504 2 105 85 PRO . 25504 2 106 86 PHE . 25504 2 107 87 GLU . 25504 2 108 88 LEU . 25504 2 109 89 PRO . 25504 2 110 90 SER . 25504 2 111 91 PRO . 25504 2 112 92 GLN . 25504 2 113 93 LYS . 25504 2 114 94 LEU . 25504 2 115 95 GLN . 25504 2 116 96 LYS . 25504 2 117 97 VAL . 25504 2 118 98 PHE . 25504 2 119 99 LYS . 25504 2 120 100 LYS . 25504 2 121 101 VAL . 25504 2 122 102 LYS . 25504 2 123 103 LYS . 25504 2 124 104 ILE . 25504 2 125 105 LYS . 25504 2 126 106 ILE . 25504 2 127 107 PRO . 25504 2 128 108 GLN . 25504 2 129 109 PHE . 25504 2 130 110 GLU . 25504 2 131 111 GLU . 25504 2 132 112 TYR . 25504 2 133 113 ASP . 25504 2 134 114 LEU . 25504 2 135 115 LYS . 25504 2 136 116 VAL . 25504 2 137 117 SER . 25504 2 138 118 SER . 25504 2 139 119 PHE . 25504 2 140 120 VAL . 25504 2 141 121 GLY . 25504 2 142 122 TRP . 25504 2 143 123 ASN . 25504 2 144 124 GLU . 25504 2 145 125 LEU . 25504 2 146 126 ALA . 25504 2 147 127 SER . 25504 2 148 128 ASN . 25504 2 149 129 ARG . 25504 2 150 130 LYS . 25504 2 151 131 TYR . 25504 2 152 132 ILE . 25504 2 153 133 ILE . 25504 2 154 134 TYR . 25504 2 155 135 TYR . 25504 2 156 136 ASP . 25504 2 157 137 GLU . 25504 2 158 138 LYS . 25504 2 159 139 LYS . 25504 2 160 140 GLN . 25504 2 161 141 LEU . 25504 2 162 142 LYS . 25504 2 163 143 GLY . 25504 2 164 144 LEU . 25504 2 165 145 TYR . 25504 2 166 146 GLY . 25504 2 167 147 GLU . 25504 2 168 148 ILE . 25504 2 169 149 SER . 25504 2 170 150 ASN . 25504 2 171 151 GLN . 25504 2 172 152 VAL . 25504 2 173 153 VAL . 25504 2 174 154 LYS . 25504 2 175 155 GLY . 25504 2 176 156 PHE . 25504 2 177 157 CYS . 25504 2 178 158 THR . 25504 2 179 159 ILE . 25504 2 180 160 CYS . 25504 2 181 161 ASN . 25504 2 182 162 LYS . 25504 2 183 163 GLU . 25504 2 184 164 SER . 25504 2 185 165 ASN . 25504 2 186 166 VAL . 25504 2 187 167 SER . 25504 2 188 168 LEU . 25504 2 189 169 PHE . 25504 2 190 170 MET . 25504 2 191 171 LYS . 25504 2 192 172 LYS . 25504 2 193 173 SER . 25504 2 194 174 LYS . 25504 2 195 175 THR . 25504 2 196 176 ASN . 25504 2 197 177 SER . 25504 2 198 178 ASP . 25504 2 199 179 GLY . 25504 2 200 180 GLN . 25504 2 201 181 TYR . 25504 2 202 182 VAL . 25504 2 203 183 LYS . 25504 2 204 184 LYS . 25504 2 205 185 GLY . 25504 2 206 186 ASP . 25504 2 207 187 TYR . 25504 2 208 188 ILE . 25504 2 209 189 CYS . 25504 2 210 190 ARG . 25504 2 211 191 ASP . 25504 2 212 192 SER . 25504 2 213 193 ILE . 25504 2 214 194 HIS . 25504 2 215 195 CYS . 25504 2 216 196 ASN . 25504 2 217 197 LYS . 25504 2 218 198 GLN . 25504 2 219 199 LEU . 25504 2 220 200 THR . 25504 2 221 201 ASP . 25504 2 222 202 ILE . 25504 2 223 203 ASN . 25504 2 224 204 GLN . 25504 2 225 205 PHE . 25504 2 226 206 TYR . 25504 2 227 207 ASN . 25504 2 228 208 PHE . 25504 2 229 209 ILE . 25504 2 230 210 ASP . 25504 2 231 211 LYS . 25504 2 232 212 LEU . 25504 2 233 213 ASP . 25504 2 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 . MET 1 1 25504 2 . GLY 2 2 25504 2 . SER 3 3 25504 2 . SER 4 4 25504 2 . HIS 5 5 25504 2 . HIS 6 6 25504 2 . HIS 7 7 25504 2 . HIS 8 8 25504 2 . HIS 9 9 25504 2 . HIS 10 10 25504 2 . SER 11 11 25504 2 . SER 12 12 25504 2 . GLY 13 13 25504 2 . LEU 14 14 25504 2 . VAL 15 15 25504 2 . PRO 16 16 25504 2 . ASN 17 17 25504 2 . GLY 18 18 25504 2 . SER 19 19 25504 2 . HIS 20 20 25504 2 . MET 21 21 25504 2 . LYS 22 22 25504 2 . THR 23 23 25504 2 . MET 24 24 25504 2 . ILE 25 25 25504 2 . TYR 26 26 25504 2 . PRO 27 27 25504 2 . HIS 28 28 25504 2 . GLN 29 29 25504 2 . TYR 30 30 25504 2 . ASN 31 31 25504 2 . TYR 32 32 25504 2 . ILE 33 33 25504 2 . ARG 34 34 25504 2 . SER 35 35 25504 2 . VAL 36 36 25504 2 . ILE 37 37 25504 2 . LEU 38 38 25504 2 . ARG 39 39 25504 2 . LEU 40 40 25504 2 . LYS 41 41 25504 2 . ASN 42 42 25504 2 . VAL 43 43 25504 2 . TYR 44 44 25504 2 . LYS 45 45 25504 2 . THR 46 46 25504 2 . VAL 47 47 25504 2 . ASN 48 48 25504 2 . ASP 49 49 25504 2 . LYS 50 50 25504 2 . GLU 51 51 25504 2 . THR 52 52 25504 2 . VAL 53 53 25504 2 . LYS 54 54 25504 2 . VAL 55 55 25504 2 . ILE 56 56 25504 2 . GLN 57 57 25504 2 . SER 58 58 25504 2 . GLU 59 59 25504 2 . THR 60 60 25504 2 . TYR 61 61 25504 2 . ASN 62 62 25504 2 . ASP 63 63 25504 2 . ILE 64 64 25504 2 . ASN 65 65 25504 2 . GLU 66 66 25504 2 . ILE 67 67 25504 2 . PHE 68 68 25504 2 . GLY 69 69 25504 2 . HIS 70 70 25504 2 . ILE 71 71 25504 2 . ASP 72 72 25504 2 . ASP 73 73 25504 2 . ASP 74 74 25504 2 . ILE 75 75 25504 2 . GLU 76 76 25504 2 . GLU 77 77 25504 2 . SER 78 78 25504 2 . LEU 79 79 25504 2 . LYS 80 80 25504 2 . VAL 81 81 25504 2 . LEU 82 82 25504 2 . MET 83 83 25504 2 . ASN 84 84 25504 2 . ILE 85 85 25504 2 . ARG 86 86 25504 2 . LEU 87 87 25504 2 . SER 88 88 25504 2 . ASN 89 89 25504 2 . LYS 90 90 25504 2 . GLU 91 91 25504 2 . ILE 92 92 25504 2 . GLU 93 93 25504 2 . ALA 94 94 25504 2 . ILE 95 95 25504 2 . LEU 96 96 25504 2 . ASN 97 97 25504 2 . LYS 98 98 25504 2 . PHE 99 99 25504 2 . LEU 100 100 25504 2 . GLU 101 101 25504 2 . TYR 102 102 25504 2 . VAL 103 103 25504 2 . VAL 104 104 25504 2 . PRO 105 105 25504 2 . PHE 106 106 25504 2 . GLU 107 107 25504 2 . LEU 108 108 25504 2 . PRO 109 109 25504 2 . SER 110 110 25504 2 . PRO 111 111 25504 2 . GLN 112 112 25504 2 . LYS 113 113 25504 2 . LEU 114 114 25504 2 . GLN 115 115 25504 2 . LYS 116 116 25504 2 . VAL 117 117 25504 2 . PHE 118 118 25504 2 . LYS 119 119 25504 2 . LYS 120 120 25504 2 . VAL 121 121 25504 2 . LYS 122 122 25504 2 . LYS 123 123 25504 2 . ILE 124 124 25504 2 . LYS 125 125 25504 2 . ILE 126 126 25504 2 . PRO 127 127 25504 2 . GLN 128 128 25504 2 . PHE 129 129 25504 2 . GLU 130 130 25504 2 . GLU 131 131 25504 2 . TYR 132 132 25504 2 . ASP 133 133 25504 2 . LEU 134 134 25504 2 . LYS 135 135 25504 2 . VAL 136 136 25504 2 . SER 137 137 25504 2 . SER 138 138 25504 2 . PHE 139 139 25504 2 . VAL 140 140 25504 2 . GLY 141 141 25504 2 . TRP 142 142 25504 2 . ASN 143 143 25504 2 . GLU 144 144 25504 2 . LEU 145 145 25504 2 . ALA 146 146 25504 2 . SER 147 147 25504 2 . ASN 148 148 25504 2 . ARG 149 149 25504 2 . LYS 150 150 25504 2 . TYR 151 151 25504 2 . ILE 152 152 25504 2 . ILE 153 153 25504 2 . TYR 154 154 25504 2 . TYR 155 155 25504 2 . ASP 156 156 25504 2 . GLU 157 157 25504 2 . LYS 158 158 25504 2 . LYS 159 159 25504 2 . GLN 160 160 25504 2 . LEU 161 161 25504 2 . LYS 162 162 25504 2 . GLY 163 163 25504 2 . LEU 164 164 25504 2 . TYR 165 165 25504 2 . GLY 166 166 25504 2 . GLU 167 167 25504 2 . ILE 168 168 25504 2 . SER 169 169 25504 2 . ASN 170 170 25504 2 . GLN 171 171 25504 2 . VAL 172 172 25504 2 . VAL 173 173 25504 2 . LYS 174 174 25504 2 . GLY 175 175 25504 2 . PHE 176 176 25504 2 . CYS 177 177 25504 2 . THR 178 178 25504 2 . ILE 179 179 25504 2 . CYS 180 180 25504 2 . ASN 181 181 25504 2 . LYS 182 182 25504 2 . GLU 183 183 25504 2 . SER 184 184 25504 2 . ASN 185 185 25504 2 . VAL 186 186 25504 2 . SER 187 187 25504 2 . LEU 188 188 25504 2 . PHE 189 189 25504 2 . MET 190 190 25504 2 . LYS 191 191 25504 2 . LYS 192 192 25504 2 . SER 193 193 25504 2 . LYS 194 194 25504 2 . THR 195 195 25504 2 . ASN 196 196 25504 2 . SER 197 197 25504 2 . ASP 198 198 25504 2 . GLY 199 199 25504 2 . GLN 200 200 25504 2 . TYR 201 201 25504 2 . VAL 202 202 25504 2 . LYS 203 203 25504 2 . LYS 204 204 25504 2 . GLY 205 205 25504 2 . ASP 206 206 25504 2 . TYR 207 207 25504 2 . ILE 208 208 25504 2 . CYS 209 209 25504 2 . ARG 210 210 25504 2 . ASP 211 211 25504 2 . SER 212 212 25504 2 . ILE 213 213 25504 2 . HIS 214 214 25504 2 . CYS 215 215 25504 2 . ASN 216 216 25504 2 . LYS 217 217 25504 2 . GLN 218 218 25504 2 . LEU 219 219 25504 2 . THR 220 220 25504 2 . ASP 221 221 25504 2 . ILE 222 222 25504 2 . ASN 223 223 25504 2 . GLN 224 224 25504 2 . PHE 225 225 25504 2 . TYR 226 226 25504 2 . ASN 227 227 25504 2 . PHE 228 228 25504 2 . ILE 229 229 25504 2 . ASP 230 230 25504 2 . LYS 231 231 25504 2 . LEU 232 232 25504 2 . ASP 233 233 25504 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25504 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25504 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25504 3 ZN 'Three letter code' 25504 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25504 3 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 25504 _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 $EF-GC3 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . fusA 'Truncated form of the full length EF-G protein encoded by fusA.' 25504 1 2 2 $FusB . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . fusB . 25504 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 25504 _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 $EF-GC3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Gold' . . . . . pET-29b . . . 25504 1 2 2 $FusB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Gold' . . . . . pET-28a . . . 25504 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25504 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25504 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25504 ZN [Zn++] SMILES CACTVS 3.341 25504 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25504 ZN [Zn+2] SMILES ACDLabs 10.04 25504 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25504 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25504 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25504 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25504 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25504 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_C3_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode C3_sample_1 _Sample.Entry_ID 25504 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' _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 EF-GC3 '[U-100% 13C; U-100% 15N; partial 2H (grown in D2O with 1H glucose)]' . . 1 $EF-GC3 . . 0.250 . . mM 0.01 . . . 25504 1 2 FusB 'natural abundance' . . 2 $FusB . . 0.375 . . mM 0.01 . . . 25504 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 1 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 1 stop_ save_ save_C3_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode C3_sample_2 _Sample.Entry_ID 25504 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' _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 EF-GC3 '[U-100% 13C; U-100% 15N; partial 2H (grown in D2O with 1H glucose)]' . . 1 $EF-GC3 . . 0.250 . . mM 0.01 . . . 25504 2 2 FusB 'natural abundance' . . 2 $FusB . . 0.375 . . mM 0.01 . . . 25504 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 2 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 2 6 'Pf1 phage' 'natural abundance' . . . . . . 6 . . mg/mL . . . . 25504 2 stop_ save_ save_C3_PRE_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode C3_PRE_sample_1 _Sample.Entry_ID 25504 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FusB R19C mutant tagged with MTSL; 20 mM TrisHCl, 300 mM NaCl, pH 8.0' _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 EF-GC3 '[U-100% 13C; U-100% 15N; partial 2H (grown in D2O with 1H glucose)]' . . 1 $EF-GC3 . . 0.250 . . mM 0.01 . . . 25504 3 2 FusB 'natural abundance' . . 2 $FusB . . 0.375 . . mM 0.01 . . . 25504 3 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 3 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 3 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 3 stop_ save_ save_C3_PRE_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode C3_PRE_sample_2 _Sample.Entry_ID 25504 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FusB T26C mutant tagged with MTSL; 20 mM TrisHCl, 300 mM NaCl, pH 8.0' _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 EF-GC3 '[U-100% 13C; U-100% 15N; partial 2H (grown in D2O with 1H glucose)]' . . 1 $EF-GC3 . . 0.250 . . mM 0.01 . . . 25504 4 2 FusB 'natural abundance' . . 2 $FusB . . 0.375 . . mM 0.01 . . . 25504 4 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 4 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 4 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 4 stop_ save_ save_C3_PRE_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode C3_PRE_sample_3 _Sample.Entry_ID 25504 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FusB N150C mutant tagged with MTSL; 20 mM TrisHCl, 300 mM NaCl, pH 8.0' _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 EF-GC3 '[U-100% 13C; U-100% 15N; partial 2H (grown in D2O with 1H glucose)]' . . 1 $EF-GC3 . . 0.250 . . mM 0.01 . . . 25504 5 2 FusB 'natural abundance' . . 2 $FusB . . 0.375 . . mM 0.01 . . . 25504 5 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 5 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 5 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 5 stop_ save_ save_c3_unlabelled_lys _Sample.Sf_category sample _Sample.Sf_framecode c3_unlabelled_lys _Sample.Entry_ID 25504 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' _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 EF-GC3 '[U-100% 15N, partial 2H (grown in D2O with 1H carbon source), 100 % natural abundance lysine]' . . 1 $EF-GC3 . . 0.30 . . mM 0.01 . . . 25504 6 2 FusB 'natural abundance' . . 2 $FusB . . 0.45 . . mM 0.01 . . . 25504 6 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 6 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 6 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 6 stop_ save_ save_c3_unlabelled_val _Sample.Sf_category sample _Sample.Sf_framecode c3_unlabelled_val _Sample.Entry_ID 25504 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' _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 EF-GC3 '[U-100% 15N, partial 2H (grown in D2O with 1H carbon source), 100 % natural abundance valine]' . . 1 $EF-GC3 . . 0.30 . . mM 0.01 . . . 25504 7 2 FusB 'natural abundance' . . 2 $FusB . . 0.45 . . mM 0.01 . . . 25504 7 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 7 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 7 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 7 stop_ save_ save_c3_unlabelled_phe _Sample.Sf_category sample _Sample.Sf_framecode c3_unlabelled_phe _Sample.Entry_ID 25504 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' _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 EF-GC3 '[U-100% 15N, partial 2H (grown in D2O with 1H carbon source), 100 % natural abundance phenylalanine]' . . 1 $EF-GC3 . . 0.30 . . mM 0.01 . . . 25504 8 2 FusB 'natural abundance' . . 2 $FusB . . 0.45 . . mM 0.01 . . . 25504 8 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 8 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 8 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 8 stop_ save_ save_c3_unlabelled_ala _Sample.Sf_category sample _Sample.Sf_framecode c3_unlabelled_ala _Sample.Entry_ID 25504 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' _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 EF-GC3 '[U-100% 15N, partial 2H (grown in D2O with 1H carbon source), 100 % natural abundance alanine]' . . 1 $EF-GC3 . . 0.30 . . mM 0.01 . . . 25504 9 2 FusB 'natural abundance' . . 2 $FusB . . 0.45 . . mM 0.01 . . . 25504 9 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 9 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 9 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 9 stop_ save_ save_c3_unlabelled_asn _Sample.Sf_category sample _Sample.Sf_framecode c3_unlabelled_asn _Sample.Entry_ID 25504 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' _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 EF-GC3 '[U-100% 15N, partial 2H (grown in D2O with 1H carbon source), 100 % natural abundance asparagine]' . . 1 $EF-GC3 . . 0.30 . . mM 0.01 . . . 25504 10 2 FusB 'natural abundance' . . 2 $FusB . . 0.45 . . mM 0.01 . . . 25504 10 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25504 10 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25504 10 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25504 10 stop_ save_ ####################### # Sample conditions # ####################### save_standard_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_conditions _Sample_condition_list.Entry_ID 25504 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM TrisHCl, 300 mM NaCl, 5 mM DTT, pH 8.0' 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' 0.300 0.002 M 25504 1 pH 8.000 0.01 pH 25504 1 pressure 1.000 . atm 25504 1 temperature 273 . K 25504 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25504 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25504 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/bax/NMRPipe/ 25504 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25504 1 processing 25504 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25504 _Software.ID 2 _Software.Name NMRView _Software.Version 7.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . http://www.onemoonscientific.com/nmrviewj 25504 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25504 2 processing 25504 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25504 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version 2.33.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . http://nmr.cit.nih.gov/xplor-nih 25504 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement of crystal structure to NMR parameters' 25504 3 'structure solution' 25504 3 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 25504 _Software.ID 4 _Software.Name HADDOCK _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' ; Bijvoet Center for Biomolecular Research Padualaan 8, 3584 CH Utrecht, the Netherlands ; http://www.nmr.chem.uu.nl/haddock 25504 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'docking based on NMR restraints' 25504 4 'structure solution' 25504 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750 _NMR_spectrometer.Entry_ID 25504 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 748 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 25504 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 25504 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_low_salt _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode low_salt _NMR_spectrometer.Entry_ID 25504 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25504 _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 1 750 Varian Inova . 748 . . . 25504 1 2 600 Varian Inova . 600 . . . 25504 1 3 900 Varian Inova . 900 . . . 25504 1 4 low_salt Varian UnityInova . 600 . . . 25504 1 stop_ save_ save_cryoprobe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode cryoprobe _NMR_spectrometer_probe.Entry_ID 25504 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Agilent _NMR_spectrometer_probe.Model coldprobe _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25504 1 stop_ save_ save_600_probe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 600_probe _NMR_spectrometer_probe.Entry_ID 25504 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Agilent _NMR_spectrometer_probe.Model 'room temperature probe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25504 2 stop_ save_ save_900_probe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 900_probe _NMR_spectrometer_probe.Entry_ID 25504 _NMR_spectrometer_probe.ID 3 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Agilent _NMR_spectrometer_probe.Model 'room temperature probe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25504 3 stop_ save_ save_lowsalt _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode lowsalt _NMR_spectrometer_probe.Entry_ID 25504 _NMR_spectrometer_probe.ID 4 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Agilent _NMR_spectrometer_probe.Model 'second generation coldprobe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25504 4 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25504 _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 HSQC/HMQC' no . . . . . . . . . . 1 $C3_sample_1 isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 2 '3D HNCO' no . . . . . . . . . . 1 $C3_sample_1 isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 3 '3D HNCA' no . . . . . . . . . . 1 $C3_sample_1 isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 4 '3D HNCA' no . . . . . . . . . . 1 $C3_sample_1 isotropic . . 1 $standard_conditions . . . 3 $900 3 $900_probe . . . . . . . . . . . . . . 25504 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $C3_sample_1 isotropic . . 1 $standard_conditions . . . 4 $low_salt 4 $lowsalt . . . . . . . . . . . . . . 25504 1 6 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 6 $c3_unlabelled_lys isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 7 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 7 $c3_unlabelled_val isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 8 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 10 $c3_unlabelled_asn isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 9 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 8 $c3_unlabelled_phe isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 10 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 9 $c3_unlabelled_ala isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 11 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . isotropic . . 1 $standard_conditions . . . 1 $750 1 $cryoprobe . . . . . . . . . . . . . . 25504 1 12 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . isotropic . . 1 $standard_conditions . . . 2 $600 2 $600_probe . . . . . . . . . . . . . . 25504 1 13 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 8 $c3_unlabelled_phe isotropic . . 1 $standard_conditions . . . 2 $600 2 $600_probe . . . . . . . . . . . . . . 25504 1 14 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 7 $c3_unlabelled_val isotropic . . 1 $standard_conditions . . . 2 $600 2 $600_probe . . . . . . . . . . . . . . 25504 1 15 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . isotropic . . 1 $standard_conditions . . . 2 $600 2 $600_probe . . . . . . . . . . . . . . 25504 1 16 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . isotropic . . 1 $standard_conditions . . . 2 $600 2 $600_probe . . . . . . . . . . . . . . 25504 1 17 '2D 1H-15N HSQC (ARTSY)' no . . . . . . . . . . . . anisotropic . . 1 $standard_conditions . . . 1 $750 . . . . . . . . . . . . . . . . 25504 1 18 '2D 1H-15N HSQC (ARTSY)' no . . . . . . . . . . . . anisotropic . . 1 $standard_conditions . . . 1 $750 . . . . . . . . . . . . . . . . 25504 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $C3_PRE_sample_1 isotropic . . 1 $standard_conditions . . . 1 $750 . . . . . . . . . . . . . . . . 25504 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $C3_PRE_sample_2 isotropic . . 1 $standard_conditions . . . 1 $750 . . . . . . . . . . . . . . . . 25504 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $C3_PRE_sample_3 isotropic . . 1 $standard_conditions . . . 1 $750 . . . . . . . . . . . . . . . . 25504 1 22 '2D 1H-15N HSQC' no . . . . . . . . . . . . isotropic . . 1 $standard_conditions . . . 2 $600 . . . . . . . . . . . . . . . . 25504 1 23 '2D 1H-15N HSQC' no . . . . . . . . . . . . isotropic . . 1 $standard_conditions . . . 2 $600 . . . . . . . . . . . . . . . . 25504 1 24 '2D 1H-15N HSQC 1H R1 relaxation series (saturation recovery)' no . . . . . . . . . . . . isotropic . . 1 $standard_conditions . . . 1 $750 . . . . . . . . . . . . . . . . 25504 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 25504 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 25504 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . . . . . 25504 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 25504 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 25504 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_conditions _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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 HSQC/HMQC' . . . 25504 1 2 '3D HNCO' . . . 25504 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 4 4 PRO C C 13 177.252 0.1 . 1 . 701 . A 404 PRO C . 25504 1 2 . 1 1 5 5 GLU H H 1 8.666 0.01 . 1 . 93 . A 405 GLU H . 25504 1 3 . 1 1 5 5 GLU N N 15 123.436 0.02 . 1 . 94 . A 405 GLU N . 25504 1 4 . 1 1 21 21 ASP C C 13 178.878 0.1 . 1 . 703 . A 421 ASP C . 25504 1 5 . 1 1 22 22 LYS H H 1 7.898 0.01 . 1 . 83 . A 422 LYS H . 25504 1 6 . 1 1 22 22 LYS N N 15 120.759 0.02 . 1 . 84 . A 422 LYS N . 25504 1 7 . 1 1 25 25 GLN C C 13 178.190 0.1 . 1 . 705 . A 425 GLN C . 25504 1 8 . 1 1 26 26 ALA H H 1 7.904 0.01 . 1 . 17 . A 426 ALA H . 25504 1 9 . 1 1 26 26 ALA N N 15 123.264 0.02 . 1 . 18 . A 426 ALA N . 25504 1 10 . 1 1 36 36 THR H H 1 7.324 0.01 . 1 . 279 . A 436 THR H . 25504 1 11 . 1 1 36 36 THR N N 15 115.420 0.02 . 1 . 280 . A 436 THR N . 25504 1 12 . 1 1 44 44 GLU H H 1 8.372 0.01 . 1 . 625 . A 444 GLU H . 25504 1 13 . 1 1 44 44 GLU N N 15 118.298 0.02 . 1 . 626 . A 444 GLU N . 25504 1 14 . 1 1 46 46 GLY H H 1 8.255 0.01 . 1 . 515 . A 446 GLY H . 25504 1 15 . 1 1 46 46 GLY N N 15 112.434 0.02 . 1 . 516 . A 446 GLY N . 25504 1 16 . 1 1 47 47 GLN H H 1 7.386 0.01 . 1 . 537 . A 447 GLN H . 25504 1 17 . 1 1 47 47 GLN N N 15 118.470 0.02 . 1 . 538 . A 447 GLN N . 25504 1 18 . 1 1 48 48 VAL H H 1 8.600 0.01 . 1 . 698 . A 448 VAL H . 25504 1 19 . 1 1 48 48 VAL N N 15 125.025 0.02 . 1 . 697 . A 448 VAL N . 25504 1 20 . 1 1 54 54 GLY C C 13 174.297 0.1 . 1 . 706 . A 454 GLY C . 25504 1 21 . 1 1 54 54 GLY CA C 13 45.086 0.1 . 1 . 707 . A 454 GLY CA . 25504 1 22 . 1 1 55 55 GLU H H 1 8.060 0.01 . 1 . 417 . A 455 GLU H . 25504 1 23 . 1 1 55 55 GLU C C 13 176.563 0.1 . 1 . 709 . A 455 GLU C . 25504 1 24 . 1 1 55 55 GLU CA C 13 55.968 0.1 . 1 . 708 . A 455 GLU CA . 25504 1 25 . 1 1 55 55 GLU N N 15 120.652 0.02 . 1 . 418 . A 455 GLU N . 25504 1 26 . 1 1 56 56 LEU H H 1 8.006 0.01 . 1 . 351 . A 456 LEU H . 25504 1 27 . 1 1 56 56 LEU C C 13 177.323 0.1 . 1 . 712 . A 456 LEU C . 25504 1 28 . 1 1 56 56 LEU CA C 13 54.717 0.1 . 1 . 710 . A 456 LEU CA . 25504 1 29 . 1 1 56 56 LEU N N 15 122.569 0.02 . 1 . 352 . A 456 LEU N . 25504 1 30 . 1 1 57 57 HIS H H 1 8.165 0.01 . 1 . 19 . A 457 HIS H . 25504 1 31 . 1 1 57 57 HIS N N 15 121.488 0.02 . 1 . 20 . A 457 HIS N . 25504 1 32 . 1 1 58 58 LEU C C 13 174.217 0.1 . 1 . 714 . A 458 LEU C . 25504 1 33 . 1 1 58 58 LEU CA C 13 55.478 0.1 . 1 . 716 . A 458 LEU CA . 25504 1 34 . 1 1 59 59 ASP H H 1 7.736 0.01 . 1 . 413 . A 459 ASP H . 25504 1 35 . 1 1 59 59 ASP CA C 13 57.134 0.1 . 1 . 715 . A 459 ASP CA . 25504 1 36 . 1 1 59 59 ASP N N 15 126.539 0.02 . 1 . 414 . A 459 ASP N . 25504 1 37 . 1 1 84 84 GLU C C 13 175.435 0.1 . 1 . 717 . A 484 GLU C . 25504 1 38 . 1 1 85 85 THR H H 1 8.372 0.01 . 1 . 477 . A 485 THR H . 25504 1 39 . 1 1 85 85 THR N N 15 112.338 0.02 . 1 . 478 . A 485 THR N . 25504 1 40 . 1 1 86 86 PHE C C 13 175.785 0.1 . 1 . 718 . A 486 PHE C . 25504 1 41 . 1 1 87 87 LYS H H 1 7.923 0.01 . 1 . 219 . A 487 LYS H . 25504 1 42 . 1 1 87 87 LYS C C 13 176.885 0.1 . 1 . 720 . A 487 LYS C . 25504 1 43 . 1 1 87 87 LYS CA C 13 55.898 0.1 . 1 . 719 . A 487 LYS CA . 25504 1 44 . 1 1 87 87 LYS N N 15 117.037 0.02 . 1 . 220 . A 487 LYS N . 25504 1 45 . 1 1 88 88 SER H H 1 8.285 0.01 . 1 . 331 . A 488 SER H . 25504 1 46 . 1 1 88 88 SER C C 13 171.120 0.1 . 1 . 722 . A 488 SER C . 25504 1 47 . 1 1 88 88 SER CA C 13 56.415 0.1 . 1 . 721 . A 488 SER CA . 25504 1 48 . 1 1 88 88 SER N N 15 118.266 0.02 . 1 . 332 . A 488 SER N . 25504 1 49 . 1 1 89 89 SER H H 1 8.099 0.01 . 1 . 541 . A 489 SER H . 25504 1 50 . 1 1 89 89 SER C C 13 174.835 0.1 . 1 . 724 . A 489 SER C . 25504 1 51 . 1 1 89 89 SER CA C 13 56.016 0.1 . 1 . 723 . A 489 SER CA . 25504 1 52 . 1 1 89 89 SER N N 15 114.301 0.02 . 1 . 542 . A 489 SER N . 25504 1 53 . 1 1 90 90 ALA H H 1 8.674 0.01 . 1 . 249 . A 490 ALA H . 25504 1 54 . 1 1 90 90 ALA C C 13 175.477 0.1 . 1 . 726 . A 490 ALA C . 25504 1 55 . 1 1 90 90 ALA CA C 13 52.369 0.1 . 1 . 725 . A 490 ALA CA . 25504 1 56 . 1 1 90 90 ALA N N 15 122.802 0.02 . 1 . 250 . A 490 ALA N . 25504 1 57 . 1 1 91 91 GLN H H 1 8.363 0.01 . 1 . 45 . A 491 GLN H . 25504 1 58 . 1 1 91 91 GLN C C 13 175.555 0.1 . 1 . 728 . A 491 GLN C . 25504 1 59 . 1 1 91 91 GLN CA C 13 54.853 0.1 . 1 . 727 . A 491 GLN CA . 25504 1 60 . 1 1 91 91 GLN N N 15 120.088 0.02 . 1 . 46 . A 491 GLN N . 25504 1 61 . 1 1 92 92 VAL H H 1 8.947 0.01 . 1 . 31 . A 492 VAL H . 25504 1 62 . 1 1 92 92 VAL C C 13 172.756 0.1 . 1 . 730 . A 492 VAL C . 25504 1 63 . 1 1 92 92 VAL CA C 13 58.630 0.1 . 1 . 729 . A 492 VAL CA . 25504 1 64 . 1 1 92 92 VAL N N 15 116.868 0.02 . 1 . 32 . A 492 VAL N . 25504 1 65 . 1 1 93 93 GLN H H 1 8.249 0.01 . 1 . 399 . A 493 GLN H . 25504 1 66 . 1 1 93 93 GLN C C 13 175.522 0.1 . 1 . 732 . A 493 GLN C . 25504 1 67 . 1 1 93 93 GLN CA C 13 52.541 0.1 . 1 . 731 . A 493 GLN CA . 25504 1 68 . 1 1 93 93 GLN N N 15 122.859 0.02 . 1 . 400 . A 493 GLN N . 25504 1 69 . 1 1 94 94 GLY H H 1 8.994 0.01 . 1 . 243 . A 494 GLY H . 25504 1 70 . 1 1 94 94 GLY C C 13 170.411 0.1 . 1 . 734 . A 494 GLY C . 25504 1 71 . 1 1 94 94 GLY CA C 13 44.251 0.1 . 1 . 733 . A 494 GLY CA . 25504 1 72 . 1 1 94 94 GLY N N 15 114.157 0.02 . 1 . 244 . A 494 GLY N . 25504 1 73 . 1 1 95 95 LYS H H 1 8.396 0.01 . 1 . 261 . A 495 LYS H . 25504 1 74 . 1 1 95 95 LYS C C 13 173.206 0.1 . 1 . 736 . A 495 LYS C . 25504 1 75 . 1 1 95 95 LYS CA C 13 54.225 0.1 . 1 . 735 . A 495 LYS CA . 25504 1 76 . 1 1 95 95 LYS N N 15 126.500 0.02 . 1 . 262 . A 495 LYS N . 25504 1 77 . 1 1 96 96 PHE H H 1 8.760 0.01 . 1 . 511 . A 496 PHE H . 25504 1 78 . 1 1 96 96 PHE CA C 13 54.708 0.1 . 1 . 737 . A 496 PHE CA . 25504 1 79 . 1 1 96 96 PHE N N 15 128.927 0.02 . 1 . 512 . A 496 PHE N . 25504 1 80 . 1 1 97 97 SER H H 1 7.911 0.01 . 1 . 681 . A 497 SER H . 25504 1 81 . 1 1 97 97 SER C C 13 173.010 0.1 . 1 . 739 . A 497 SER C . 25504 1 82 . 1 1 97 97 SER CA C 13 54.847 0.1 . 1 . 738 . A 497 SER CA . 25504 1 83 . 1 1 97 97 SER N N 15 120.489 0.02 . 1 . 682 . A 497 SER N . 25504 1 84 . 1 1 98 98 ARG H H 1 7.785 0.01 . 1 . 69 . A 498 ARG H . 25504 1 85 . 1 1 98 98 ARG CA C 13 54.463 0.1 . 1 . 740 . A 498 ARG CA . 25504 1 86 . 1 1 98 98 ARG N N 15 125.119 0.02 . 1 . 70 . A 498 ARG N . 25504 1 87 . 1 1 102 102 GLY C C 13 173.301 0.1 . 1 . 741 . A 502 GLY C . 25504 1 88 . 1 1 102 102 GLY CA C 13 44.575 0.1 . 1 . 743 . A 502 GLY CA . 25504 1 89 . 1 1 103 103 ARG H H 1 7.567 0.01 . 1 . 151 . A 503 ARG H . 25504 1 90 . 1 1 103 103 ARG C C 13 174.981 0.1 . 1 . 744 . A 503 ARG C . 25504 1 91 . 1 1 103 103 ARG CA C 13 54.135 0.1 . 1 . 742 . A 503 ARG CA . 25504 1 92 . 1 1 103 103 ARG N N 15 119.489 0.02 . 1 . 152 . A 503 ARG N . 25504 1 93 . 1 1 104 104 GLY H H 1 8.408 0.01 . 1 . 133 . A 504 GLY H . 25504 1 94 . 1 1 104 104 GLY C C 13 172.755 0.1 . 1 . 746 . A 504 GLY C . 25504 1 95 . 1 1 104 104 GLY CA C 13 44.434 0.1 . 1 . 745 . A 504 GLY CA . 25504 1 96 . 1 1 104 104 GLY N N 15 111.499 0.02 . 1 . 134 . A 504 GLY N . 25504 1 97 . 1 1 105 105 GLN H H 1 8.015 0.01 . 1 . 281 . A 505 GLN H . 25504 1 98 . 1 1 105 105 GLN C C 13 175.870 0.1 . 1 . 748 . A 505 GLN C . 25504 1 99 . 1 1 105 105 GLN CA C 13 54.142 0.1 . 1 . 747 . A 505 GLN CA . 25504 1 100 . 1 1 105 105 GLN N N 15 118.331 0.02 . 1 . 282 . A 505 GLN N . 25504 1 101 . 1 1 106 106 TYR H H 1 7.089 0.01 . 1 . 147 . A 506 TYR H . 25504 1 102 . 1 1 106 106 TYR C C 13 174.811 0.1 . 1 . 750 . A 506 TYR C . 25504 1 103 . 1 1 106 106 TYR CA C 13 57.020 0.1 . 1 . 749 . A 506 TYR CA . 25504 1 104 . 1 1 106 106 TYR N N 15 122.312 0.02 . 1 . 148 . A 506 TYR N . 25504 1 105 . 1 1 107 107 GLY H H 1 8.526 0.01 . 1 . 301 . A 507 GLY H . 25504 1 106 . 1 1 107 107 GLY C C 13 181.502 0.1 . 1 . 752 . A 507 GLY C . 25504 1 107 . 1 1 107 107 GLY CA C 13 43.688 0.1 . 1 . 751 . A 507 GLY CA . 25504 1 108 . 1 1 107 107 GLY N N 15 119.237 0.02 . 1 . 302 . A 507 GLY N . 25504 1 109 . 1 1 108 108 ASP H H 1 6.158 0.01 . 1 . 161 . A 508 ASP H . 25504 1 110 . 1 1 108 108 ASP C C 13 174.216 0.1 . 1 . 753 . A 508 ASP C . 25504 1 111 . 1 1 108 108 ASP N N 15 124.487 0.02 . 1 . 162 . A 508 ASP N . 25504 1 112 . 1 1 109 109 VAL H H 1 8.722 0.01 . 1 . 233 . A 509 VAL H . 25504 1 113 . 1 1 109 109 VAL C C 13 172.805 0.1 . 1 . 755 . A 509 VAL C . 25504 1 114 . 1 1 109 109 VAL N N 15 116.476 0.02 . 1 . 234 . A 509 VAL N . 25504 1 115 . 1 1 110 110 HIS H H 1 8.096 0.01 . 1 . 415 . A 510 HIS H . 25504 1 116 . 1 1 110 110 HIS C C 13 174.409 0.1 . 1 . 757 . A 510 HIS C . 25504 1 117 . 1 1 110 110 HIS CA C 13 54.697 0.1 . 1 . 756 . A 510 HIS CA . 25504 1 118 . 1 1 110 110 HIS N N 15 122.429 0.02 . 1 . 416 . A 510 HIS N . 25504 1 119 . 1 1 111 111 ILE H H 1 8.950 0.01 . 1 . 193 . A 511 ILE H . 25504 1 120 . 1 1 111 111 ILE CA C 13 57.876 0.1 . 1 . 758 . A 511 ILE CA . 25504 1 121 . 1 1 111 111 ILE N N 15 122.012 0.02 . 1 . 194 . A 511 ILE N . 25504 1 122 . 1 1 112 112 GLU H H 1 9.301 0.01 . 1 . 121 . A 512 GLU H . 25504 1 123 . 1 1 112 112 GLU N N 15 128.118 0.02 . 1 . 122 . A 512 GLU N . 25504 1 124 . 1 1 113 113 PHE H H 1 9.256 0.01 . 1 . 49 . A 513 PHE H . 25504 1 125 . 1 1 113 113 PHE C C 13 175.150 0.1 . 1 . 760 . A 513 PHE C . 25504 1 126 . 1 1 113 113 PHE CA C 13 56.696 0.1 . 1 . 759 . A 513 PHE CA . 25504 1 127 . 1 1 113 113 PHE N N 15 129.737 0.02 . 1 . 50 . A 513 PHE N . 25504 1 128 . 1 1 114 114 THR H H 1 9.176 0.01 . 1 . 325 . A 514 THR H . 25504 1 129 . 1 1 114 114 THR CA C 13 58.431 0.1 . 1 . 761 . A 514 THR CA . 25504 1 130 . 1 1 114 114 THR N N 15 116.932 0.02 . 1 . 326 . A 514 THR N . 25504 1 131 . 1 1 115 115 PRO C C 13 176.544 0.1 . 1 . 762 . A 515 PRO C . 25504 1 132 . 1 1 116 116 ASN H H 1 8.346 0.01 . 1 . 551 . A 516 ASN H . 25504 1 133 . 1 1 116 116 ASN C C 13 175.583 0.1 . 1 . 764 . A 516 ASN C . 25504 1 134 . 1 1 116 116 ASN N N 15 122.837 0.02 . 1 . 552 . A 516 ASN N . 25504 1 135 . 1 1 117 117 GLU H H 1 7.723 0.01 . 1 . 461 . A 517 GLU H . 25504 1 136 . 1 1 117 117 GLU C C 13 175.641 0.1 . 1 . 768 . A 517 GLU C . 25504 1 137 . 1 1 117 117 GLU CA C 13 55.874 0.1 . 1 . 766 . A 517 GLU CA . 25504 1 138 . 1 1 117 117 GLU N N 15 121.107 0.02 . 1 . 462 . A 517 GLU N . 25504 1 139 . 1 1 118 118 THR H H 1 8.308 0.01 . 1 . 323 . A 518 THR H . 25504 1 140 . 1 1 118 118 THR C C 13 176.767 0.1 . 1 . 770 . A 518 THR C . 25504 1 141 . 1 1 118 118 THR CA C 13 63.896 0.1 . 1 . 769 . A 518 THR CA . 25504 1 142 . 1 1 118 118 THR N N 15 120.197 0.02 . 1 . 324 . A 518 THR N . 25504 1 143 . 1 1 119 119 GLY H H 1 9.988 0.01 . 1 . 607 . A 519 GLY H . 25504 1 144 . 1 1 119 119 GLY C C 13 174.936 0.1 . 1 . 772 . A 519 GLY C . 25504 1 145 . 1 1 119 119 GLY CA C 13 44.896 0.1 . 1 . 771 . A 519 GLY CA . 25504 1 146 . 1 1 119 119 GLY N N 15 119.637 0.02 . 1 . 608 . A 519 GLY N . 25504 1 147 . 1 1 120 120 ALA H H 1 8.283 0.01 . 1 . 259 . A 520 ALA H . 25504 1 148 . 1 1 120 120 ALA C C 13 177.994 0.1 . 1 . 774 . A 520 ALA C . 25504 1 149 . 1 1 120 120 ALA CA C 13 52.713 0.1 . 1 . 773 . A 520 ALA CA . 25504 1 150 . 1 1 120 120 ALA N N 15 124.201 0.02 . 1 . 260 . A 520 ALA N . 25504 1 151 . 1 1 121 121 GLY H H 1 8.753 0.01 . 1 . 629 . A 521 GLY H . 25504 1 152 . 1 1 121 121 GLY C C 13 174.220 0.1 . 1 . 776 . A 521 GLY C . 25504 1 153 . 1 1 121 121 GLY CA C 13 44.777 0.1 . 1 . 775 . A 521 GLY CA . 25504 1 154 . 1 1 121 121 GLY N N 15 108.788 0.02 . 1 . 630 . A 521 GLY N . 25504 1 155 . 1 1 122 122 PHE H H 1 8.923 0.01 . 1 . 439 . A 522 PHE H . 25504 1 156 . 1 1 122 122 PHE C C 13 176.093 0.1 . 1 . 778 . A 522 PHE C . 25504 1 157 . 1 1 122 122 PHE CA C 13 53.199 0.1 . 1 . 777 . A 522 PHE CA . 25504 1 158 . 1 1 122 122 PHE N N 15 123.389 0.02 . 1 . 440 . A 522 PHE N . 25504 1 159 . 1 1 123 123 GLU H H 1 7.462 0.01 . 1 . 539 . A 523 GLU H . 25504 1 160 . 1 1 123 123 GLU CA C 13 54.039 0.1 . 1 . 779 . A 523 GLU CA . 25504 1 161 . 1 1 123 123 GLU N N 15 123.398 0.02 . 1 . 540 . A 523 GLU N . 25504 1 162 . 1 1 124 124 PHE H H 1 8.840 0.01 . 1 . 189 . A 524 PHE H . 25504 1 163 . 1 1 124 124 PHE CA C 13 54.904 0.1 . 1 . 780 . A 524 PHE CA . 25504 1 164 . 1 1 124 124 PHE N N 15 125.365 0.02 . 1 . 190 . A 524 PHE N . 25504 1 165 . 1 1 126 126 ASN C C 13 173.747 0.1 . 1 . 781 . A 526 ASN C . 25504 1 166 . 1 1 127 127 ALA H H 1 8.500 0.01 . 1 . 131 . A 527 ALA H . 25504 1 167 . 1 1 127 127 ALA C C 13 175.997 0.1 . 1 . 783 . A 527 ALA C . 25504 1 168 . 1 1 127 127 ALA CA C 13 49.487 0.1 . 1 . 782 . A 527 ALA CA . 25504 1 169 . 1 1 127 127 ALA N N 15 129.811 0.02 . 1 . 132 . A 527 ALA N . 25504 1 170 . 1 1 128 128 ILE H H 1 7.372 0.01 . 1 . 13 . A 528 ILE H . 25504 1 171 . 1 1 128 128 ILE C C 13 176.083 0.1 . 1 . 785 . A 528 ILE C . 25504 1 172 . 1 1 128 128 ILE CA C 13 58.970 0.1 . 1 . 784 . A 528 ILE CA . 25504 1 173 . 1 1 128 128 ILE N N 15 120.875 0.02 . 1 . 14 . A 528 ILE N . 25504 1 174 . 1 1 129 129 VAL H H 1 8.719 0.01 . 1 . 457 . A 529 VAL H . 25504 1 175 . 1 1 129 129 VAL CA C 13 59.850 0.1 . 1 . 786 . A 529 VAL CA . 25504 1 176 . 1 1 129 129 VAL N N 15 127.651 0.02 . 1 . 458 . A 529 VAL N . 25504 1 177 . 1 1 130 130 GLY H H 1 8.801 0.01 . 1 . 633 . A 530 GLY H . 25504 1 178 . 1 1 130 130 GLY CA C 13 45.479 0.1 . 1 . 787 . A 530 GLY CA . 25504 1 179 . 1 1 130 130 GLY N N 15 111.731 0.02 . 1 . 634 . A 530 GLY N . 25504 1 180 . 1 1 131 131 GLY C C 13 175.844 0.1 . 1 . 788 . A 531 GLY C . 25504 1 181 . 1 1 132 132 VAL H H 1 6.643 0.01 . 1 . 475 . A 532 VAL H . 25504 1 182 . 1 1 132 132 VAL C C 13 176.531 0.1 . 1 . 790 . A 532 VAL C . 25504 1 183 . 1 1 132 132 VAL CA C 13 65.233 0.1 . 1 . 789 . A 532 VAL CA . 25504 1 184 . 1 1 132 132 VAL N N 15 111.822 0.02 . 1 . 476 . A 532 VAL N . 25504 1 185 . 1 1 133 133 VAL H H 1 5.914 0.01 . 1 . 407 . A 533 VAL H . 25504 1 186 . 1 1 133 133 VAL CA C 13 59.661 0.1 . 1 . 791 . A 533 VAL CA . 25504 1 187 . 1 1 133 133 VAL N N 15 113.756 0.02 . 1 . 408 . A 533 VAL N . 25504 1 188 . 1 1 134 134 PRO C C 13 176.721 0.1 . 1 . 792 . A 534 PRO C . 25504 1 189 . 1 1 135 135 ARG H H 1 8.300 0.01 . 1 . 661 . A 535 ARG H . 25504 1 190 . 1 1 135 135 ARG C C 13 178.635 0.1 . 1 . 794 . A 535 ARG C . 25504 1 191 . 1 1 135 135 ARG CA C 13 54.649 0.1 . 1 . 793 . A 535 ARG CA . 25504 1 192 . 1 1 135 135 ARG N N 15 124.243 0.02 . 1 . 662 . A 535 ARG N . 25504 1 193 . 1 1 136 136 GLU H H 1 9.506 0.01 . 1 . 125 . A 536 GLU H . 25504 1 194 . 1 1 136 136 GLU C C 13 177.190 0.1 . 1 . 796 . A 536 GLU C . 25504 1 195 . 1 1 136 136 GLU CA C 13 57.794 0.1 . 1 . 795 . A 536 GLU CA . 25504 1 196 . 1 1 136 136 GLU N N 15 117.903 0.02 . 1 . 126 . A 536 GLU N . 25504 1 197 . 1 1 137 137 TYR H H 1 7.722 0.01 . 1 . 481 . A 537 TYR H . 25504 1 198 . 1 1 137 137 TYR C C 13 176.093 0.1 . 1 . 798 . A 537 TYR C . 25504 1 199 . 1 1 137 137 TYR CA C 13 55.645 0.1 . 1 . 797 . A 537 TYR CA . 25504 1 200 . 1 1 137 137 TYR N N 15 117.587 0.02 . 1 . 482 . A 537 TYR N . 25504 1 201 . 1 1 138 138 ILE H H 1 7.305 0.01 . 1 . 195 . A 538 ILE H . 25504 1 202 . 1 1 138 138 ILE CA C 13 66.133 0.1 . 1 . 799 . A 538 ILE CA . 25504 1 203 . 1 1 138 138 ILE N N 15 122.795 0.02 . 1 . 196 . A 538 ILE N . 25504 1 204 . 1 1 141 141 VAL H H 1 7.707 0.01 . 1 . 37 . A 541 VAL H . 25504 1 205 . 1 1 141 141 VAL CA C 13 65.193 0.1 . 1 . 800 . A 541 VAL CA . 25504 1 206 . 1 1 141 141 VAL N N 15 123.432 0.02 . 1 . 38 . A 541 VAL N . 25504 1 207 . 1 1 142 142 GLU C C 13 177.380 0.1 . 1 . 801 . A 542 GLU C . 25504 1 208 . 1 1 143 143 ALA H H 1 8.182 0.01 . 1 . 59 . A 543 ALA H . 25504 1 209 . 1 1 143 143 ALA C C 13 180.116 0.1 . 1 . 803 . A 543 ALA C . 25504 1 210 . 1 1 143 143 ALA CA C 13 54.545 0.1 . 1 . 802 . A 543 ALA CA . 25504 1 211 . 1 1 143 143 ALA N N 15 120.136 0.02 . 1 . 60 . A 543 ALA N . 25504 1 212 . 1 1 144 144 GLY H H 1 8.533 0.01 . 1 . 135 . A 544 GLY H . 25504 1 213 . 1 1 144 144 GLY C C 13 176.560 0.1 . 1 . 805 . A 544 GLY C . 25504 1 214 . 1 1 144 144 GLY CA C 13 46.413 0.1 . 1 . 804 . A 544 GLY CA . 25504 1 215 . 1 1 144 144 GLY N N 15 105.432 0.02 . 1 . 136 . A 544 GLY N . 25504 1 216 . 1 1 145 145 LEU H H 1 8.085 0.01 . 1 . 677 . A 545 LEU H . 25504 1 217 . 1 1 145 145 LEU C C 13 177.768 0.1 . 1 . 807 . A 545 LEU C . 25504 1 218 . 1 1 145 145 LEU CA C 13 54.871 0.1 . 1 . 806 . A 545 LEU CA . 25504 1 219 . 1 1 145 145 LEU N N 15 122.374 0.02 . 1 . 678 . A 545 LEU N . 25504 1 220 . 1 1 146 146 LYS H H 1 8.452 0.01 . 1 . 109 . A 546 LYS H . 25504 1 221 . 1 1 146 146 LYS C C 13 179.445 0.1 . 1 . 809 . A 546 LYS C . 25504 1 222 . 1 1 146 146 LYS CA C 13 59.685 0.1 . 1 . 808 . A 546 LYS CA . 25504 1 223 . 1 1 146 146 LYS N N 15 119.325 0.02 . 1 . 110 . A 546 LYS N . 25504 1 224 . 1 1 147 147 ASP H H 1 8.108 0.01 . 1 . 605 . A 547 ASP H . 25504 1 225 . 1 1 147 147 ASP C C 13 178.040 0.1 . 1 . 811 . A 547 ASP C . 25504 1 226 . 1 1 147 147 ASP CA C 13 56.579 0.1 . 1 . 810 . A 547 ASP CA . 25504 1 227 . 1 1 147 147 ASP N N 15 119.412 0.02 . 1 . 606 . A 547 ASP N . 25504 1 228 . 1 1 148 148 ALA H H 1 7.507 0.01 . 1 . 577 . A 548 ALA H . 25504 1 229 . 1 1 148 148 ALA C C 13 180.925 0.1 . 1 . 813 . A 548 ALA C . 25504 1 230 . 1 1 148 148 ALA CA C 13 54.139 0.1 . 1 . 812 . A 548 ALA CA . 25504 1 231 . 1 1 148 148 ALA N N 15 121.116 0.02 . 1 . 578 . A 548 ALA N . 25504 1 232 . 1 1 149 149 MET H H 1 8.794 0.01 . 1 . 487 . A 549 MET H . 25504 1 233 . 1 1 149 149 MET CA C 13 58.731 0.1 . 1 . 814 . A 549 MET CA . 25504 1 234 . 1 1 149 149 MET N N 15 118.938 0.02 . 1 . 488 . A 549 MET N . 25504 1 235 . 1 1 151 151 ASN C C 13 175.238 0.1 . 1 . 815 . A 551 ASN C . 25504 1 236 . 1 1 152 152 GLY H H 1 6.865 0.01 . 1 . 543 . A 552 GLY H . 25504 1 237 . 1 1 152 152 GLY CA C 13 44.933 0.1 . 1 . 816 . A 552 GLY CA . 25504 1 238 . 1 1 152 152 GLY N N 15 105.937 0.02 . 1 . 544 . A 552 GLY N . 25504 1 239 . 1 1 155 155 ALA C C 13 175.338 0.1 . 1 . 817 . A 555 ALA C . 25504 1 240 . 1 1 156 156 GLY H H 1 7.623 0.01 . 1 . 689 . A 556 GLY H . 25504 1 241 . 1 1 156 156 GLY CA C 13 44.778 0.1 . 1 . 818 . A 556 GLY CA . 25504 1 242 . 1 1 156 156 GLY N N 15 106.064 0.02 . 1 . 690 . A 556 GLY N . 25504 1 243 . 1 1 160 160 ILE C C 13 174.793 0.1 . 1 . 819 . A 560 ILE C . 25504 1 244 . 1 1 161 161 ASP H H 1 8.053 0.01 . 1 . 329 . A 561 ASP H . 25504 1 245 . 1 1 161 161 ASP C C 13 176.075 0.1 . 1 . 821 . A 561 ASP C . 25504 1 246 . 1 1 161 161 ASP CA C 13 54.797 0.1 . 1 . 820 . A 561 ASP CA . 25504 1 247 . 1 1 161 161 ASP N N 15 118.153 0.02 . 1 . 330 . A 561 ASP N . 25504 1 248 . 1 1 162 162 VAL H H 1 7.180 0.01 . 1 . 525 . A 562 VAL H . 25504 1 249 . 1 1 162 162 VAL C C 13 172.668 0.1 . 1 . 823 . A 562 VAL C . 25504 1 250 . 1 1 162 162 VAL CA C 13 59.879 0.1 . 1 . 822 . A 562 VAL CA . 25504 1 251 . 1 1 162 162 VAL N N 15 114.819 0.02 . 1 . 526 . A 562 VAL N . 25504 1 252 . 1 1 163 163 LYS H H 1 9.194 0.01 . 1 . 295 . A 563 LYS H . 25504 1 253 . 1 1 163 163 LYS C C 13 174.541 0.1 . 1 . 824 . A 563 LYS C . 25504 1 254 . 1 1 163 163 LYS N N 15 122.719 0.02 . 1 . 296 . A 563 LYS N . 25504 1 255 . 1 1 164 164 ALA H H 1 9.076 0.01 . 1 . 441 . A 564 ALA H . 25504 1 256 . 1 1 164 164 ALA C C 13 174.258 0.1 . 1 . 826 . A 564 ALA C . 25504 1 257 . 1 1 164 164 ALA CA C 13 49.286 0.1 . 1 . 828 . A 564 ALA CA . 25504 1 258 . 1 1 164 164 ALA N N 15 124.856 0.02 . 1 . 442 . A 564 ALA N . 25504 1 259 . 1 1 165 165 LYS H H 1 8.663 0.01 . 1 . 343 . A 565 LYS H . 25504 1 260 . 1 1 165 165 LYS CA C 13 53.003 0.1 . 1 . 827 . A 565 LYS CA . 25504 1 261 . 1 1 165 165 LYS N N 15 124.300 0.02 . 1 . 344 . A 565 LYS N . 25504 1 262 . 1 1 166 166 LEU H H 1 8.738 0.01 . 1 . 21 . A 566 LEU H . 25504 1 263 . 1 1 166 166 LEU CA C 13 54.084 0.1 . 1 . 829 . A 566 LEU CA . 25504 1 264 . 1 1 166 166 LEU N N 15 131.995 0.02 . 1 . 22 . A 566 LEU N . 25504 1 265 . 1 1 167 167 TYR C C 13 172.966 0.1 . 1 . 830 . A 567 TYR C . 25504 1 266 . 1 1 168 168 ASP H H 1 7.558 0.01 . 1 . 99 . A 568 ASP H . 25504 1 267 . 1 1 168 168 ASP C C 13 173.021 0.1 . 1 . 832 . A 568 ASP C . 25504 1 268 . 1 1 168 168 ASP CA C 13 52.137 0.1 . 1 . 831 . A 568 ASP CA . 25504 1 269 . 1 1 168 168 ASP N N 15 122.813 0.02 . 1 . 100 . A 568 ASP N . 25504 1 270 . 1 1 169 169 GLY H H 1 9.068 0.01 . 1 . 469 . A 569 GLY H . 25504 1 271 . 1 1 169 169 GLY C C 13 170.088 0.1 . 1 . 834 . A 569 GLY C . 25504 1 272 . 1 1 169 169 GLY CA C 13 45.445 0.1 . 1 . 833 . A 569 GLY CA . 25504 1 273 . 1 1 169 169 GLY N N 15 107.297 0.02 . 1 . 470 . A 569 GLY N . 25504 1 274 . 1 1 170 170 SER H H 1 8.644 0.01 . 1 . 291 . A 570 SER H . 25504 1 275 . 1 1 170 170 SER C C 13 171.494 0.1 . 1 . 836 . A 570 SER C . 25504 1 276 . 1 1 170 170 SER CA C 13 59.260 0.1 . 1 . 835 . A 570 SER CA . 25504 1 277 . 1 1 170 170 SER N N 15 112.600 0.02 . 1 . 292 . A 570 SER N . 25504 1 278 . 1 1 171 171 TYR H H 1 8.218 0.01 . 1 . 145 . A 571 TYR H . 25504 1 279 . 1 1 171 171 TYR CA C 13 55.337 0.1 . 1 . 837 . A 571 TYR CA . 25504 1 280 . 1 1 171 171 TYR N N 15 112.976 0.02 . 1 . 146 . A 571 TYR N . 25504 1 281 . 1 1 172 172 HIS H H 1 9.027 0.01 . 1 . 561 . A 572 HIS H . 25504 1 282 . 1 1 172 172 HIS CA C 13 55.423 0.1 . 1 . 838 . A 572 HIS CA . 25504 1 283 . 1 1 172 172 HIS N N 15 124.174 0.02 . 1 . 562 . A 572 HIS N . 25504 1 284 . 1 1 174 174 VAL H H 1 8.985 0.01 . 1 . 203 . A 574 VAL H . 25504 1 285 . 1 1 174 174 VAL N N 15 120.147 0.02 . 1 . 204 . A 574 VAL N . 25504 1 286 . 1 1 175 175 ASP H H 1 9.643 0.01 . 1 . 307 . A 575 ASP H . 25504 1 287 . 1 1 175 175 ASP N N 15 120.959 0.02 . 1 . 308 . A 575 ASP N . 25504 1 288 . 1 1 176 176 SER H H 1 8.320 0.01 . 1 . 23 . A 576 SER H . 25504 1 289 . 1 1 176 176 SER C C 13 171.941 0.1 . 1 . 840 . A 576 SER C . 25504 1 290 . 1 1 176 176 SER CA C 13 60.263 0.1 . 1 . 839 . A 576 SER CA . 25504 1 291 . 1 1 176 176 SER N N 15 117.701 0.02 . 1 . 24 . A 576 SER N . 25504 1 292 . 1 1 177 177 SER H H 1 6.896 0.01 . 1 . 645 . A 577 SER H . 25504 1 293 . 1 1 177 177 SER N N 15 112.686 0.02 . 1 . 646 . A 577 SER N . 25504 1 294 . 1 1 178 178 GLU H H 1 9.424 0.01 . 1 . 505 . A 578 GLU H . 25504 1 295 . 1 1 178 178 GLU N N 15 121.825 0.02 . 1 . 506 . A 578 GLU N . 25504 1 296 . 1 1 179 179 MET C C 13 177.539 0.1 . 1 . 841 . A 579 MET C . 25504 1 297 . 1 1 180 180 ALA H H 1 8.062 0.01 . 1 . 700 . A 580 ALA H . 25504 1 298 . 1 1 180 180 ALA CA C 13 54.173 0.1 . 1 . 842 . A 580 ALA CA . 25504 1 299 . 1 1 180 180 ALA N N 15 120.645 0.02 . 1 . 699 . A 580 ALA N . 25504 1 300 . 1 1 181 181 PHE H H 1 7.586 0.01 . 1 . 435 . A 581 PHE H . 25504 1 301 . 1 1 181 181 PHE C C 13 177.402 0.1 . 1 . 844 . A 581 PHE C . 25504 1 302 . 1 1 181 181 PHE CA C 13 63.564 0.1 . 1 . 843 . A 581 PHE CA . 25504 1 303 . 1 1 181 181 PHE N N 15 115.618 0.02 . 1 . 436 . A 581 PHE N . 25504 1 304 . 1 1 182 182 LYS H H 1 8.127 0.01 . 1 . 453 . A 582 LYS H . 25504 1 305 . 1 1 182 182 LYS C C 13 179.728 0.1 . 1 . 846 . A 582 LYS C . 25504 1 306 . 1 1 182 182 LYS CA C 13 60.084 0.1 . 1 . 845 . A 582 LYS CA . 25504 1 307 . 1 1 182 182 LYS N N 15 122.361 0.02 . 1 . 454 . A 582 LYS N . 25504 1 308 . 1 1 183 183 ILE H H 1 7.984 0.01 . 1 . 483 . A 583 ILE H . 25504 1 309 . 1 1 183 183 ILE C C 13 179.208 0.1 . 1 . 848 . A 583 ILE C . 25504 1 310 . 1 1 183 183 ILE CA C 13 63.923 0.1 . 1 . 847 . A 583 ILE CA . 25504 1 311 . 1 1 183 183 ILE N N 15 119.690 0.02 . 1 . 484 . A 583 ILE N . 25504 1 312 . 1 1 184 184 ALA H H 1 8.198 0.01 . 1 . 105 . A 584 ALA H . 25504 1 313 . 1 1 184 184 ALA C C 13 178.639 0.1 . 1 . 850 . A 584 ALA C . 25504 1 314 . 1 1 184 184 ALA CA C 13 55.414 0.1 . 1 . 849 . A 584 ALA CA . 25504 1 315 . 1 1 184 184 ALA N N 15 123.680 0.02 . 1 . 106 . A 584 ALA N . 25504 1 316 . 1 1 185 185 ALA H H 1 7.760 0.01 . 1 . 387 . A 585 ALA H . 25504 1 317 . 1 1 185 185 ALA C C 13 178.711 0.1 . 1 . 852 . A 585 ALA C . 25504 1 318 . 1 1 185 185 ALA CA C 13 55.046 0.1 . 1 . 851 . A 585 ALA CA . 25504 1 319 . 1 1 185 185 ALA N N 15 118.510 0.02 . 1 . 388 . A 585 ALA N . 25504 1 320 . 1 1 186 186 SER H H 1 7.432 0.01 . 1 . 685 . A 586 SER H . 25504 1 321 . 1 1 186 186 SER C C 13 172.785 0.1 . 1 . 854 . A 586 SER C . 25504 1 322 . 1 1 186 186 SER CA C 13 61.244 0.1 . 1 . 853 . A 586 SER CA . 25504 1 323 . 1 1 186 186 SER N N 15 113.653 0.02 . 1 . 686 . A 586 SER N . 25504 1 324 . 1 1 187 187 LEU H H 1 8.258 0.01 . 1 . 405 . A 587 LEU H . 25504 1 325 . 1 1 187 187 LEU C C 13 179.931 0.1 . 1 . 856 . A 587 LEU C . 25504 1 326 . 1 1 187 187 LEU CA C 13 56.759 0.1 . 1 . 855 . A 587 LEU CA . 25504 1 327 . 1 1 187 187 LEU N N 15 122.537 0.02 . 1 . 406 . A 587 LEU N . 25504 1 328 . 1 1 188 188 ALA H H 1 8.124 0.01 . 1 . 287 . A 588 ALA H . 25504 1 329 . 1 1 188 188 ALA C C 13 178.852 0.1 . 1 . 859 . A 588 ALA C . 25504 1 330 . 1 1 188 188 ALA CA C 13 54.160 0.1 . 1 . 857 . A 588 ALA CA . 25504 1 331 . 1 1 188 188 ALA N N 15 123.113 0.02 . 1 . 288 . A 588 ALA N . 25504 1 332 . 1 1 189 189 LEU H H 1 7.564 0.01 . 1 . 393 . A 589 LEU H . 25504 1 333 . 1 1 189 189 LEU C C 13 178.107 0.1 . 1 . 860 . A 589 LEU C . 25504 1 334 . 1 1 189 189 LEU CA C 13 56.840 0.1 . 1 . 858 . A 589 LEU CA . 25504 1 335 . 1 1 189 189 LEU N N 15 118.949 0.02 . 1 . 394 . A 589 LEU N . 25504 1 336 . 1 1 190 190 LYS H H 1 7.673 0.01 . 1 . 33 . A 590 LYS H . 25504 1 337 . 1 1 190 190 LYS C C 13 179.770 0.1 . 1 . 863 . A 590 LYS C . 25504 1 338 . 1 1 190 190 LYS CA C 13 59.029 0.1 . 1 . 861 . A 590 LYS CA . 25504 1 339 . 1 1 190 190 LYS N N 15 118.742 0.02 . 1 . 34 . A 590 LYS N . 25504 1 340 . 1 1 191 191 GLU H H 1 7.843 0.01 . 1 . 353 . A 591 GLU H . 25504 1 341 . 1 1 191 191 GLU C C 13 179.777 0.1 . 1 . 864 . A 591 GLU C . 25504 1 342 . 1 1 191 191 GLU CA C 13 57.641 0.1 . 1 . 862 . A 591 GLU CA . 25504 1 343 . 1 1 191 191 GLU N N 15 119.596 0.02 . 1 . 354 . A 591 GLU N . 25504 1 344 . 1 1 192 192 ALA H H 1 8.387 0.01 . 1 . 411 . A 592 ALA H . 25504 1 345 . 1 1 192 192 ALA C C 13 179.078 0.1 . 1 . 866 . A 592 ALA C . 25504 1 346 . 1 1 192 192 ALA CA C 13 54.094 0.1 . 1 . 865 . A 592 ALA CA . 25504 1 347 . 1 1 192 192 ALA N N 15 124.193 0.02 . 1 . 412 . A 592 ALA N . 25504 1 348 . 1 1 193 193 ALA H H 1 8.065 0.01 . 1 . 257 . A 593 ALA H . 25504 1 349 . 1 1 193 193 ALA C C 13 177.509 0.1 . 1 . 868 . A 593 ALA C . 25504 1 350 . 1 1 193 193 ALA CA C 13 54.144 0.1 . 1 . 867 . A 593 ALA CA . 25504 1 351 . 1 1 193 193 ALA N N 15 120.051 0.02 . 1 . 258 . A 593 ALA N . 25504 1 352 . 1 1 194 194 LYS H H 1 6.969 0.01 . 1 . 315 . A 594 LYS H . 25504 1 353 . 1 1 194 194 LYS C C 13 177.816 0.1 . 1 . 870 . A 594 LYS C . 25504 1 354 . 1 1 194 194 LYS CA C 13 56.893 0.1 . 1 . 869 . A 594 LYS CA . 25504 1 355 . 1 1 194 194 LYS N N 15 112.716 0.02 . 1 . 316 . A 594 LYS N . 25504 1 356 . 1 1 195 195 LYS H H 1 7.075 0.01 . 1 . 385 . A 595 LYS H . 25504 1 357 . 1 1 195 195 LYS CA C 13 56.116 0.1 . 1 . 871 . A 595 LYS CA . 25504 1 358 . 1 1 195 195 LYS N N 15 116.532 0.02 . 1 . 386 . A 595 LYS N . 25504 1 359 . 1 1 196 196 CYS C C 13 173.386 0.1 . 1 . 872 . A 596 CYS C . 25504 1 360 . 1 1 196 196 CYS CA C 13 59.638 0.1 . 1 . 874 . A 596 CYS CA . 25504 1 361 . 1 1 197 197 ASP H H 1 8.440 0.01 . 1 . 185 . A 597 ASP H . 25504 1 362 . 1 1 197 197 ASP CA C 13 54.238 0.1 . 1 . 873 . A 597 ASP CA . 25504 1 363 . 1 1 197 197 ASP N N 15 118.724 0.02 . 1 . 186 . A 597 ASP N . 25504 1 364 . 1 1 198 198 PRO C C 13 176.373 0.1 . 1 . 875 . A 598 PRO C . 25504 1 365 . 1 1 199 199 VAL H H 1 8.597 0.01 . 1 . 115 . A 599 VAL H . 25504 1 366 . 1 1 199 199 VAL C C 13 173.810 0.1 . 1 . 876 . A 599 VAL C . 25504 1 367 . 1 1 199 199 VAL CA C 13 58.340 0.1 . 1 . 878 . A 599 VAL CA . 25504 1 368 . 1 1 199 199 VAL N N 15 114.113 0.02 . 1 . 116 . A 599 VAL N . 25504 1 369 . 1 1 200 200 ILE H H 1 8.700 0.01 . 1 . 569 . A 600 ILE H . 25504 1 370 . 1 1 200 200 ILE C C 13 174.390 0.1 . 1 . 879 . A 600 ILE C . 25504 1 371 . 1 1 200 200 ILE CA C 13 59.717 0.1 . 1 . 877 . A 600 ILE CA . 25504 1 372 . 1 1 200 200 ILE N N 15 120.542 0.02 . 1 . 570 . A 600 ILE N . 25504 1 373 . 1 1 201 201 LEU H H 1 9.475 0.01 . 1 . 465 . A 601 LEU H . 25504 1 374 . 1 1 201 201 LEU N N 15 125.779 0.02 . 1 . 466 . A 601 LEU N . 25504 1 375 . 1 1 206 206 LYS H H 1 9.044 0.01 . 1 . 693 . A 606 LYS H . 25504 1 376 . 1 1 206 206 LYS C C 13 175.233 0.1 . 1 . 881 . A 606 LYS C . 25504 1 377 . 1 1 206 206 LYS CA C 13 55.263 0.1 . 1 . 880 . A 606 LYS CA . 25504 1 378 . 1 1 206 206 LYS N N 15 124.454 0.02 . 1 . 694 . A 606 LYS N . 25504 1 379 . 1 1 207 207 VAL H H 1 9.120 0.01 . 1 . 179 . A 607 VAL H . 25504 1 380 . 1 1 207 207 VAL C C 13 174.164 0.1 . 1 . 882 . A 607 VAL C . 25504 1 381 . 1 1 207 207 VAL N N 15 131.922 0.02 . 1 . 180 . A 607 VAL N . 25504 1 382 . 1 1 208 208 THR H H 1 8.626 0.01 . 1 . 691 . A 608 THR H . 25504 1 383 . 1 1 208 208 THR C C 13 174.171 0.1 . 1 . 884 . A 608 THR C . 25504 1 384 . 1 1 208 208 THR CA C 13 60.691 0.1 . 1 . 883 . A 608 THR CA . 25504 1 385 . 1 1 208 208 THR N N 15 125.049 0.02 . 1 . 692 . A 608 THR N . 25504 1 386 . 1 1 209 209 ILE H H 1 9.390 0.01 . 1 . 529 . A 609 ILE H . 25504 1 387 . 1 1 209 209 ILE C C 13 174.220 0.1 . 1 . 886 . A 609 ILE C . 25504 1 388 . 1 1 209 209 ILE CA C 13 60.461 0.1 . 1 . 885 . A 609 ILE CA . 25504 1 389 . 1 1 209 209 ILE N N 15 130.755 0.02 . 1 . 530 . A 609 ILE N . 25504 1 390 . 1 1 210 210 GLU H H 1 8.657 0.01 . 1 . 163 . A 610 GLU H . 25504 1 391 . 1 1 210 210 GLU C C 13 174.759 0.1 . 1 . 888 . A 610 GLU C . 25504 1 392 . 1 1 210 210 GLU CA C 13 54.297 0.1 . 1 . 887 . A 610 GLU CA . 25504 1 393 . 1 1 210 210 GLU N N 15 127.128 0.02 . 1 . 164 . A 610 GLU N . 25504 1 394 . 1 1 211 211 MET H H 1 8.770 0.01 . 1 . 519 . A 611 MET H . 25504 1 395 . 1 1 211 211 MET CA C 13 53.144 0.1 . 1 . 889 . A 611 MET CA . 25504 1 396 . 1 1 211 211 MET N N 15 123.182 0.02 . 1 . 520 . A 611 MET N . 25504 1 397 . 1 1 215 215 TYR H H 1 7.219 0.01 . 1 . 497 . A 615 TYR H . 25504 1 398 . 1 1 215 215 TYR C C 13 175.580 0.1 . 1 . 891 . A 615 TYR C . 25504 1 399 . 1 1 215 215 TYR CA C 13 56.412 0.1 . 1 . 890 . A 615 TYR CA . 25504 1 400 . 1 1 215 215 TYR N N 15 118.360 0.02 . 1 . 498 . A 615 TYR N . 25504 1 401 . 1 1 216 216 MET H H 1 7.732 0.01 . 1 . 363 . A 616 MET H . 25504 1 402 . 1 1 216 216 MET CA C 13 59.129 0.1 . 1 . 892 . A 616 MET CA . 25504 1 403 . 1 1 216 216 MET N N 15 120.836 0.02 . 1 . 364 . A 616 MET N . 25504 1 404 . 1 1 217 217 GLY H H 1 8.752 0.01 . 1 . 635 . A 617 GLY H . 25504 1 405 . 1 1 217 217 GLY C C 13 177.131 0.1 . 1 . 893 . A 617 GLY C . 25504 1 406 . 1 1 217 217 GLY N N 15 107.799 0.02 . 1 . 636 . A 617 GLY N . 25504 1 407 . 1 1 218 218 ASP H H 1 7.901 0.01 . 1 . 669 . A 618 ASP H . 25504 1 408 . 1 1 218 218 ASP CA C 13 56.394 0.1 . 1 . 894 . A 618 ASP CA . 25504 1 409 . 1 1 218 218 ASP N N 15 123.198 0.02 . 1 . 670 . A 618 ASP N . 25504 1 410 . 1 1 219 219 ILE C C 13 179.413 0.1 . 1 . 895 . A 619 ILE C . 25504 1 411 . 1 1 220 220 MET H H 1 8.761 0.01 . 1 . 471 . A 620 MET H . 25504 1 412 . 1 1 220 220 MET CA C 13 58.927 0.1 . 1 . 896 . A 620 MET CA . 25504 1 413 . 1 1 220 220 MET N N 15 121.751 0.02 . 1 . 472 . A 620 MET N . 25504 1 414 . 1 1 221 221 GLY H H 1 8.099 0.01 . 1 . 311 . A 621 GLY H . 25504 1 415 . 1 1 221 221 GLY C C 13 176.173 0.1 . 1 . 898 . A 621 GLY C . 25504 1 416 . 1 1 221 221 GLY CA C 13 46.452 0.1 . 1 . 897 . A 621 GLY CA . 25504 1 417 . 1 1 221 221 GLY N N 15 107.267 0.02 . 1 . 312 . A 621 GLY N . 25504 1 418 . 1 1 222 222 ASP H H 1 7.645 0.01 . 1 . 495 . A 622 ASP H . 25504 1 419 . 1 1 222 222 ASP CA C 13 56.836 0.1 . 1 . 899 . A 622 ASP CA . 25504 1 420 . 1 1 222 222 ASP N N 15 123.070 0.02 . 1 . 496 . A 622 ASP N . 25504 1 421 . 1 1 223 223 VAL H H 1 7.972 0.01 . 1 . 239 . A 623 VAL H . 25504 1 422 . 1 1 223 223 VAL CA C 13 67.083 0.1 . 1 . 901 . A 623 VAL CA . 25504 1 423 . 1 1 223 223 VAL N N 15 119.961 0.02 . 1 . 240 . A 623 VAL N . 25504 1 424 . 1 1 224 224 THR H H 1 7.996 0.01 . 1 . 567 . A 624 THR H . 25504 1 425 . 1 1 224 224 THR CA C 13 65.577 0.1 . 1 . 902 . A 624 THR CA . 25504 1 426 . 1 1 224 224 THR N N 15 115.196 0.02 . 1 . 568 . A 624 THR N . 25504 1 427 . 1 1 225 225 SER C C 13 174.641 0.1 . 1 . 903 . A 625 SER C . 25504 1 428 . 1 1 226 226 ARG H H 1 7.179 0.01 . 1 . 171 . A 626 ARG H . 25504 1 429 . 1 1 226 226 ARG C C 13 172.225 0.1 . 1 . 905 . A 626 ARG C . 25504 1 430 . 1 1 226 226 ARG CA C 13 55.135 0.1 . 1 . 904 . A 626 ARG CA . 25504 1 431 . 1 1 226 226 ARG N N 15 123.127 0.02 . 1 . 172 . A 626 ARG N . 25504 1 432 . 1 1 227 227 ARG H H 1 7.375 0.01 . 1 . 7 . A 627 ARG H . 25504 1 433 . 1 1 227 227 ARG C C 13 175.724 0.1 . 1 . 907 . A 627 ARG C . 25504 1 434 . 1 1 227 227 ARG CA C 13 56.776 0.1 . 1 . 906 . A 627 ARG CA . 25504 1 435 . 1 1 227 227 ARG N N 15 107.156 0.02 . 1 . 8 . A 627 ARG N . 25504 1 436 . 1 1 228 228 GLY H H 1 7.915 0.01 . 1 . 39 . A 628 GLY H . 25504 1 437 . 1 1 228 228 GLY C C 13 172.751 0.1 . 1 . 909 . A 628 GLY C . 25504 1 438 . 1 1 228 228 GLY CA C 13 44.145 0.1 . 1 . 908 . A 628 GLY CA . 25504 1 439 . 1 1 228 228 GLY N N 15 104.133 0.02 . 1 . 40 . A 628 GLY N . 25504 1 440 . 1 1 229 229 ARG H H 1 8.646 0.01 . 1 . 639 . A 629 ARG H . 25504 1 441 . 1 1 229 229 ARG C C 13 174.541 0.1 . 1 . 911 . A 629 ARG C . 25504 1 442 . 1 1 229 229 ARG CA C 13 53.575 0.1 . 1 . 910 . A 629 ARG CA . 25504 1 443 . 1 1 229 229 ARG N N 15 117.098 0.02 . 1 . 640 . A 629 ARG N . 25504 1 444 . 1 1 230 230 VAL H H 1 8.906 0.01 . 1 . 419 . A 630 VAL H . 25504 1 445 . 1 1 230 230 VAL C C 13 175.151 0.1 . 1 . 913 . A 630 VAL C . 25504 1 446 . 1 1 230 230 VAL CA C 13 62.468 0.1 . 1 . 912 . A 630 VAL CA . 25504 1 447 . 1 1 230 230 VAL N N 15 124.975 0.02 . 1 . 420 . A 630 VAL N . 25504 1 448 . 1 1 231 231 ASP H H 1 9.252 0.01 . 1 . 25 . A 631 ASP H . 25504 1 449 . 1 1 231 231 ASP C C 13 175.416 0.1 . 1 . 915 . A 631 ASP C . 25504 1 450 . 1 1 231 231 ASP CA C 13 56.615 0.1 . 1 . 914 . A 631 ASP CA . 25504 1 451 . 1 1 231 231 ASP N N 15 130.942 0.02 . 1 . 26 . A 631 ASP N . 25504 1 452 . 1 1 232 232 GLY H H 1 7.641 0.01 . 1 . 173 . A 632 GLY H . 25504 1 453 . 1 1 232 232 GLY C C 13 170.754 0.1 . 1 . 917 . A 632 GLY C . 25504 1 454 . 1 1 232 232 GLY CA C 13 44.847 0.1 . 1 . 916 . A 632 GLY CA . 25504 1 455 . 1 1 232 232 GLY N N 15 106.278 0.02 . 1 . 174 . A 632 GLY N . 25504 1 456 . 1 1 233 233 MET H H 1 8.146 0.01 . 1 . 153 . A 633 MET H . 25504 1 457 . 1 1 233 233 MET C C 13 174.647 0.1 . 1 . 919 . A 633 MET C . 25504 1 458 . 1 1 233 233 MET CA C 13 54.028 0.1 . 1 . 918 . A 633 MET CA . 25504 1 459 . 1 1 233 233 MET N N 15 119.154 0.02 . 1 . 154 . A 633 MET N . 25504 1 460 . 1 1 234 234 GLU H H 1 8.802 0.01 . 1 . 603 . A 634 GLU H . 25504 1 461 . 1 1 234 234 GLU CA C 13 52.651 0.1 . 1 . 920 . A 634 GLU CA . 25504 1 462 . 1 1 234 234 GLU N N 15 122.781 0.02 . 1 . 604 . A 634 GLU N . 25504 1 463 . 1 1 239 239 ALA H H 1 8.095 0.01 . 1 . 111 . A 639 ALA H . 25504 1 464 . 1 1 239 239 ALA N N 15 124.242 0.02 . 1 . 112 . A 639 ALA N . 25504 1 465 . 1 1 240 240 GLN H H 1 8.711 0.01 . 1 . 143 . A 640 GLN H . 25504 1 466 . 1 1 240 240 GLN N N 15 119.929 0.02 . 1 . 144 . A 640 GLN N . 25504 1 467 . 1 1 241 241 VAL H H 1 8.546 0.01 . 1 . 371 . A 641 VAL H . 25504 1 468 . 1 1 241 241 VAL N N 15 121.388 0.02 . 1 . 372 . A 641 VAL N . 25504 1 469 . 1 1 242 242 VAL H H 1 9.585 0.01 . 1 . 217 . A 642 VAL H . 25504 1 470 . 1 1 242 242 VAL N N 15 128.578 0.02 . 1 . 218 . A 642 VAL N . 25504 1 471 . 1 1 243 243 ASN H H 1 8.605 0.01 . 1 . 213 . A 643 ASN H . 25504 1 472 . 1 1 243 243 ASN N N 15 125.049 0.02 . 1 . 214 . A 643 ASN N . 25504 1 473 . 1 1 244 244 ALA H H 1 9.309 0.01 . 1 . 611 . A 644 ALA H . 25504 1 474 . 1 1 244 244 ALA N N 15 127.158 0.02 . 1 . 612 . A 644 ALA N . 25504 1 475 . 1 1 245 245 TYR H H 1 8.628 0.01 . 1 . 103 . A 645 TYR H . 25504 1 476 . 1 1 245 245 TYR N N 15 119.358 0.02 . 1 . 104 . A 645 TYR N . 25504 1 477 . 1 1 246 246 VAL H H 1 8.682 0.01 . 1 . 447 . A 646 VAL H . 25504 1 478 . 1 1 246 246 VAL N N 15 123.163 0.02 . 1 . 448 . A 646 VAL N . 25504 1 479 . 1 1 249 249 SER C C 13 173.785 0.1 . 1 . 921 . A 649 SER C . 25504 1 480 . 1 1 249 249 SER CA C 13 53.160 0.1 . 1 . 923 . A 649 SER CA . 25504 1 481 . 1 1 250 250 GLU H H 1 7.206 0.01 . 1 . 599 . A 650 GLU H . 25504 1 482 . 1 1 250 250 GLU CA C 13 50.303 0.1 . 1 . 922 . A 650 GLU CA . 25504 1 483 . 1 1 250 250 GLU N N 15 119.210 0.02 . 1 . 600 . A 650 GLU N . 25504 1 484 . 1 1 260 260 SER H H 1 7.744 0.01 . 1 . 651 . A 660 SER H . 25504 1 485 . 1 1 260 260 SER CA C 13 60.724 0.1 . 1 . 924 . A 660 SER CA . 25504 1 486 . 1 1 260 260 SER N N 15 114.370 0.02 . 1 . 652 . A 660 SER N . 25504 1 487 . 1 1 261 261 ASN H H 1 8.524 0.01 . 1 . 437 . A 661 ASN H . 25504 1 488 . 1 1 261 261 ASN CA C 13 54.155 0.1 . 1 . 925 . A 661 ASN CA . 25504 1 489 . 1 1 261 261 ASN N N 15 118.210 0.02 . 1 . 438 . A 661 ASN N . 25504 1 490 . 1 1 264 264 GLY H H 1 8.859 0.01 . 1 . 479 . A 664 GLY H . 25504 1 491 . 1 1 264 264 GLY N N 15 104.214 0.02 . 1 . 480 . A 664 GLY N . 25504 1 492 . 1 1 268 268 TYR H H 1 8.408 0.01 . 1 . 67 . A 668 TYR H . 25504 1 493 . 1 1 268 268 TYR C C 13 173.697 0.1 . 1 . 926 . A 668 TYR C . 25504 1 494 . 1 1 268 268 TYR N N 15 118.326 0.02 . 1 . 68 . A 668 TYR N . 25504 1 495 . 1 1 269 269 THR H H 1 8.552 0.01 . 1 . 35 . A 669 THR H . 25504 1 496 . 1 1 269 269 THR CA C 13 59.863 0.1 . 1 . 927 . A 669 THR CA . 25504 1 497 . 1 1 269 269 THR N N 15 113.451 0.02 . 1 . 36 . A 669 THR N . 25504 1 498 . 1 1 270 270 MET H H 1 8.231 0.01 . 1 . 355 . A 670 MET H . 25504 1 499 . 1 1 270 270 MET CA C 13 53.836 0.1 . 1 . 928 . A 670 MET CA . 25504 1 500 . 1 1 270 270 MET N N 15 120.139 0.02 . 1 . 356 . A 670 MET N . 25504 1 501 . 1 1 272 272 PHE H H 1 9.257 0.01 . 1 . 433 . A 672 PHE H . 25504 1 502 . 1 1 272 272 PHE N N 15 125.734 0.02 . 1 . 434 . A 672 PHE N . 25504 1 503 . 1 1 274 274 HIS H H 1 6.785 0.01 . 1 . 79 . A 674 HIS H . 25504 1 504 . 1 1 274 274 HIS CA C 13 55.551 0.1 . 1 . 929 . A 674 HIS CA . 25504 1 505 . 1 1 274 274 HIS N N 15 111.150 0.02 . 1 . 80 . A 674 HIS N . 25504 1 506 . 1 1 275 275 TYR H H 1 8.741 0.01 . 1 . 197 . A 675 TYR H . 25504 1 507 . 1 1 275 275 TYR N N 15 119.712 0.02 . 1 . 198 . A 675 TYR N . 25504 1 508 . 1 1 276 276 ALA C C 13 176.181 0.1 . 1 . 930 . A 676 ALA C . 25504 1 509 . 1 1 276 276 ALA CA C 13 49.786 0.1 . 1 . 931 . A 676 ALA CA . 25504 1 510 . 1 1 277 277 GLU H H 1 8.821 0.01 . 1 . 621 . A 677 GLU H . 25504 1 511 . 1 1 277 277 GLU C C 13 177.424 0.1 . 1 . 933 . A 677 GLU C . 25504 1 512 . 1 1 277 277 GLU CA C 13 56.763 0.1 . 1 . 932 . A 677 GLU CA . 25504 1 513 . 1 1 277 277 GLU N N 15 123.123 0.02 . 1 . 622 . A 677 GLU N . 25504 1 514 . 1 1 278 278 VAL H H 1 8.574 0.01 . 1 . 209 . A 678 VAL H . 25504 1 515 . 1 1 278 278 VAL CA C 13 59.400 0.1 . 1 . 934 . A 678 VAL CA . 25504 1 516 . 1 1 278 278 VAL N N 15 126.786 0.02 . 1 . 210 . A 678 VAL N . 25504 1 517 . 1 1 281 281 SER C C 13 176.620 0.1 . 1 . 935 . A 681 SER C . 25504 1 518 . 1 1 282 282 ILE H H 1 6.845 0.01 . 1 . 285 . A 682 ILE H . 25504 1 519 . 1 1 282 282 ILE C C 13 177.725 0.1 . 1 . 937 . A 682 ILE C . 25504 1 520 . 1 1 282 282 ILE CA C 13 63.123 0.1 . 1 . 936 . A 682 ILE CA . 25504 1 521 . 1 1 282 282 ILE N N 15 123.304 0.02 . 1 . 286 . A 682 ILE N . 25504 1 522 . 1 1 283 283 ALA H H 1 8.226 0.01 . 1 . 649 . A 683 ALA H . 25504 1 523 . 1 1 283 283 ALA C C 13 179.147 0.1 . 1 . 939 . A 683 ALA C . 25504 1 524 . 1 1 283 283 ALA CA C 13 55.365 0.1 . 1 . 938 . A 683 ALA CA . 25504 1 525 . 1 1 283 283 ALA N N 15 123.784 0.02 . 1 . 650 . A 683 ALA N . 25504 1 526 . 1 1 284 284 GLU H H 1 8.129 0.01 . 1 . 403 . A 684 GLU H . 25504 1 527 . 1 1 284 284 GLU C C 13 178.933 0.1 . 1 . 941 . A 684 GLU C . 25504 1 528 . 1 1 284 284 GLU CA C 13 58.952 0.1 . 1 . 940 . A 684 GLU CA . 25504 1 529 . 1 1 284 284 GLU N N 15 114.869 0.02 . 1 . 404 . A 684 GLU N . 25504 1 530 . 1 1 285 285 ASP H H 1 7.165 0.01 . 1 . 557 . A 685 ASP H . 25504 1 531 . 1 1 285 285 ASP C C 13 178.190 0.1 . 1 . 943 . A 685 ASP C . 25504 1 532 . 1 1 285 285 ASP CA C 13 56.723 0.1 . 1 . 942 . A 685 ASP CA . 25504 1 533 . 1 1 285 285 ASP N N 15 120.126 0.02 . 1 . 558 . A 685 ASP N . 25504 1 534 . 1 1 286 286 ILE H H 1 7.914 0.01 . 1 . 141 . A 686 ILE H . 25504 1 535 . 1 1 286 286 ILE C C 13 178.491 0.1 . 1 . 945 . A 686 ILE C . 25504 1 536 . 1 1 286 286 ILE CA C 13 64.883 0.1 . 1 . 944 . A 686 ILE CA . 25504 1 537 . 1 1 286 286 ILE N N 15 122.565 0.02 . 1 . 142 . A 686 ILE N . 25504 1 538 . 1 1 287 287 ILE H H 1 8.358 0.01 . 1 . 211 . A 687 ILE H . 25504 1 539 . 1 1 287 287 ILE C C 13 178.400 0.1 . 1 . 947 . A 687 ILE C . 25504 1 540 . 1 1 287 287 ILE CA C 13 65.156 0.1 . 1 . 946 . A 687 ILE CA . 25504 1 541 . 1 1 287 287 ILE N N 15 120.705 0.02 . 1 . 212 . A 687 ILE N . 25504 1 542 . 1 1 288 288 LYS H H 1 7.821 0.01 . 1 . 87 . A 688 LYS H . 25504 1 543 . 1 1 288 288 LYS C C 13 179.031 0.1 . 1 . 949 . A 688 LYS C . 25504 1 544 . 1 1 288 288 LYS CA C 13 58.837 0.1 . 1 . 948 . A 688 LYS CA . 25504 1 545 . 1 1 288 288 LYS N N 15 119.403 0.02 . 1 . 88 . A 688 LYS N . 25504 1 546 . 1 1 289 289 LYS H H 1 7.945 0.01 . 1 . 101 . A 689 LYS H . 25504 1 547 . 1 1 289 289 LYS C C 13 178.255 0.1 . 1 . 951 . A 689 LYS C . 25504 1 548 . 1 1 289 289 LYS CA C 13 58.079 0.1 . 1 . 950 . A 689 LYS CA . 25504 1 549 . 1 1 289 289 LYS N N 15 119.732 0.02 . 1 . 102 . A 689 LYS N . 25504 1 550 . 1 1 290 290 ASN H H 1 7.868 0.01 . 1 . 183 . A 690 ASN H . 25504 1 551 . 1 1 290 290 ASN C C 13 176.073 0.1 . 1 . 953 . A 690 ASN C . 25504 1 552 . 1 1 290 290 ASN CA C 13 53.933 0.1 . 1 . 952 . A 690 ASN CA . 25504 1 553 . 1 1 290 290 ASN N N 15 118.228 0.02 . 1 . 184 . A 690 ASN N . 25504 1 554 . 1 1 291 291 LYS H H 1 7.926 0.01 . 1 . 159 . A 691 LYS H . 25504 1 555 . 1 1 291 291 LYS C C 13 177.496 0.1 . 1 . 955 . A 691 LYS C . 25504 1 556 . 1 1 291 291 LYS CA C 13 56.540 0.1 . 1 . 954 . A 691 LYS CA . 25504 1 557 . 1 1 291 291 LYS N N 15 120.344 0.02 . 1 . 160 . A 691 LYS N . 25504 1 558 . 1 1 292 292 GLY H H 1 8.021 0.01 . 1 . 71 . A 692 GLY H . 25504 1 559 . 1 1 292 292 GLY CA C 13 45.092 0.1 . 1 . 956 . A 692 GLY CA . 25504 1 560 . 1 1 292 292 GLY N N 15 109.099 0.02 . 1 . 72 . A 692 GLY N . 25504 1 561 . 2 2 14 14 LEU H H 1 7.973 0.01 . 1 . 113 . . -6 LEU H . 25504 1 562 . 2 2 14 14 LEU N N 15 122.040 0.02 . 1 . 114 . . -6 LEU N . 25504 1 563 . 2 2 15 15 VAL H H 1 8.008 0.01 . 1 . 105 . . -5 VAL H . 25504 1 564 . 2 2 15 15 VAL N N 15 122.816 0.02 . 1 . 106 . . -5 VAL N . 25504 1 565 . 2 2 22 22 LYS H H 1 8.296 0.01 . 1 . 65 . B 2 LYS H . 25504 1 566 . 2 2 22 22 LYS N N 15 123.149 0.02 . 1 . 66 . B 2 LYS N . 25504 1 567 . 2 2 23 23 THR H H 1 8.299 0.01 . 1 . 223 . B 3 THR H . 25504 1 568 . 2 2 23 23 THR N N 15 118.955 0.02 . 1 . 224 . B 3 THR N . 25504 1 569 . 2 2 24 24 MET H H 1 8.088 0.01 . 1 . 243 . B 4 MET H . 25504 1 570 . 2 2 24 24 MET N N 15 122.406 0.02 . 1 . 244 . B 4 MET N . 25504 1 571 . 2 2 25 25 ILE H H 1 8.442 0.01 . 1 . 247 . B 5 ILE H . 25504 1 572 . 2 2 25 25 ILE N N 15 114.947 0.02 . 1 . 248 . B 5 ILE N . 25504 1 573 . 2 2 26 26 TYR H H 1 8.603 0.01 . 1 . 199 . B 6 TYR H . 25504 1 574 . 2 2 26 26 TYR N N 15 119.208 0.02 . 1 . 200 . B 6 TYR N . 25504 1 575 . 2 2 28 28 HIS H H 1 8.304 0.01 . 1 . 3 . B 8 HIS H . 25504 1 576 . 2 2 28 28 HIS N N 15 112.475 0.02 . 1 . 4 . B 8 HIS N . 25504 1 577 . 2 2 29 29 GLN H H 1 6.705 0.01 . 1 . 22 . B 9 GLN H . 25504 1 578 . 2 2 29 29 GLN N N 15 119.190 0.02 . 1 . 21 . B 9 GLN N . 25504 1 579 . 2 2 31 31 ASN H H 1 8.510 0.01 . 1 . 203 . B 11 ASN H . 25504 1 580 . 2 2 31 31 ASN N N 15 118.780 0.02 . 1 . 204 . B 11 ASN N . 25504 1 581 . 2 2 32 32 TYR H H 1 8.350 0.01 . 1 . 177 . B 12 TYR H . 25504 1 582 . 2 2 32 32 TYR N N 15 123.674 0.02 . 1 . 178 . B 12 TYR N . 25504 1 583 . 2 2 39 39 ARG H H 1 7.704 0.01 . 1 . 237 . B 19 ARG H . 25504 1 584 . 2 2 39 39 ARG N N 15 121.373 0.02 . 1 . 238 . B 19 ARG N . 25504 1 585 . 2 2 40 40 LEU H H 1 7.771 0.01 . 1 . 97 . B 20 LEU H . 25504 1 586 . 2 2 40 40 LEU N N 15 122.694 0.02 . 1 . 98 . B 20 LEU N . 25504 1 587 . 2 2 41 41 LYS H H 1 7.863 0.01 . 1 . 93 . B 21 LYS H . 25504 1 588 . 2 2 41 41 LYS N N 15 117.208 0.02 . 1 . 94 . B 21 LYS N . 25504 1 589 . 2 2 42 42 ASN H H 1 7.570 0.01 . 1 . 119 . B 22 ASN H . 25504 1 590 . 2 2 42 42 ASN N N 15 117.058 0.02 . 1 . 120 . B 22 ASN N . 25504 1 591 . 2 2 43 43 VAL H H 1 8.402 0.01 . 1 . 149 . B 23 VAL H . 25504 1 592 . 2 2 43 43 VAL N N 15 125.931 0.02 . 1 . 150 . B 23 VAL N . 25504 1 593 . 2 2 45 45 LYS H H 1 7.673 0.01 . 1 . 147 . B 25 LYS H . 25504 1 594 . 2 2 45 45 LYS N N 15 116.263 0.02 . 1 . 148 . B 25 LYS N . 25504 1 595 . 2 2 46 46 THR H H 1 7.719 0.01 . 1 . 28 . B 26 THR H . 25504 1 596 . 2 2 46 46 THR N N 15 107.056 0.02 . 1 . 27 . B 26 THR N . 25504 1 597 . 2 2 47 47 VAL H H 1 8.522 0.01 . 1 . 215 . B 27 VAL H . 25504 1 598 . 2 2 47 47 VAL N N 15 125.263 0.02 . 1 . 216 . B 27 VAL N . 25504 1 599 . 2 2 51 51 GLU H H 1 8.443 0.01 . 1 . 231 . B 31 GLU H . 25504 1 600 . 2 2 51 51 GLU N N 15 119.816 0.02 . 1 . 232 . B 31 GLU N . 25504 1 601 . 2 2 53 53 VAL H H 1 7.748 0.01 . 1 . 151 . B 33 VAL H . 25504 1 602 . 2 2 53 53 VAL N N 15 120.661 0.02 . 1 . 152 . B 33 VAL N . 25504 1 603 . 2 2 54 54 LYS H H 1 7.817 0.01 . 1 . 129 . B 34 LYS H . 25504 1 604 . 2 2 54 54 LYS N N 15 119.114 0.02 . 1 . 130 . B 34 LYS N . 25504 1 605 . 2 2 55 55 VAL H H 1 7.663 0.01 . 1 . 173 . B 35 VAL H . 25504 1 606 . 2 2 55 55 VAL N N 15 122.002 0.02 . 1 . 174 . B 35 VAL N . 25504 1 607 . 2 2 59 59 GLU H H 1 8.457 0.01 . 1 . 233 . B 39 GLU H . 25504 1 608 . 2 2 59 59 GLU N N 15 122.387 0.02 . 1 . 234 . B 39 GLU N . 25504 1 609 . 2 2 60 60 THR H H 1 8.144 0.01 . 1 . 91 . B 40 THR H . 25504 1 610 . 2 2 60 60 THR N N 15 116.767 0.02 . 1 . 92 . B 40 THR N . 25504 1 611 . 2 2 62 62 ASN H H 1 8.485 0.01 . 1 . 201 . B 42 ASN H . 25504 1 612 . 2 2 62 62 ASN N N 15 118.120 0.02 . 1 . 202 . B 42 ASN N . 25504 1 613 . 2 2 64 64 ILE H H 1 7.917 0.01 . 1 . 90 . B 44 ILE H . 25504 1 614 . 2 2 64 64 ILE N N 15 118.408 0.02 . 1 . 89 . B 44 ILE N . 25504 1 615 . 2 2 65 65 ASN H H 1 8.200 0.01 . 1 . 181 . B 45 ASN H . 25504 1 616 . 2 2 65 65 ASN N N 15 118.830 0.02 . 1 . 182 . B 45 ASN N . 25504 1 617 . 2 2 66 66 GLU H H 1 8.272 0.01 . 1 . 225 . B 46 GLU H . 25504 1 618 . 2 2 66 66 GLU N N 15 118.702 0.02 . 1 . 226 . B 46 GLU N . 25504 1 619 . 2 2 67 67 ILE H H 1 7.556 0.01 . 1 . 221 . B 47 ILE H . 25504 1 620 . 2 2 67 67 ILE N N 15 120.063 0.02 . 1 . 222 . B 47 ILE N . 25504 1 621 . 2 2 68 68 PHE H H 1 7.605 0.01 . 1 . 161 . B 48 PHE H . 25504 1 622 . 2 2 68 68 PHE N N 15 115.794 0.02 . 1 . 162 . B 48 PHE N . 25504 1 623 . 2 2 69 69 GLY H H 1 8.209 0.01 . 1 . 1 . B 49 GLY H . 25504 1 624 . 2 2 69 69 GLY N N 15 110.154 0.02 . 1 . 2 . B 49 GLY N . 25504 1 625 . 2 2 72 72 ASP H H 1 6.986 0.01 . 1 . 18 . B 52 ASP H . 25504 1 626 . 2 2 72 72 ASP N N 15 124.143 0.02 . 1 . 17 . B 52 ASP N . 25504 1 627 . 2 2 73 73 ASP H H 1 8.300 0.01 . 1 . 227 . B 53 ASP H . 25504 1 628 . 2 2 73 73 ASP N N 15 118.323 0.02 . 1 . 228 . B 53 ASP N . 25504 1 629 . 2 2 74 74 ASP H H 1 8.143 0.01 . 1 . 111 . B 54 ASP H . 25504 1 630 . 2 2 74 74 ASP N N 15 120.453 0.02 . 1 . 112 . B 54 ASP N . 25504 1 631 . 2 2 75 75 ILE H H 1 8.499 0.01 . 1 . 101 . B 55 ILE H . 25504 1 632 . 2 2 75 75 ILE N N 15 123.875 0.02 . 1 . 102 . B 55 ILE N . 25504 1 633 . 2 2 77 77 GLU H H 1 7.960 0.01 . 1 . 86 . B 57 GLU H . 25504 1 634 . 2 2 77 77 GLU N N 15 118.767 0.02 . 1 . 85 . B 57 GLU N . 25504 1 635 . 2 2 79 79 LEU H H 1 8.478 0.01 . 1 . 189 . B 59 LEU H . 25504 1 636 . 2 2 79 79 LEU N N 15 121.328 0.02 . 1 . 190 . B 59 LEU N . 25504 1 637 . 2 2 80 80 LYS H H 1 7.872 0.01 . 1 . 139 . B 60 LYS H . 25504 1 638 . 2 2 80 80 LYS N N 15 119.133 0.02 . 1 . 140 . B 60 LYS N . 25504 1 639 . 2 2 81 81 VAL H H 1 7.483 0.01 . 1 . 37 . B 61 VAL H . 25504 1 640 . 2 2 81 81 VAL N N 15 121.543 0.02 . 1 . 38 . B 61 VAL N . 25504 1 641 . 2 2 82 82 LEU H H 1 7.721 0.01 . 1 . 195 . B 62 LEU H . 25504 1 642 . 2 2 82 82 LEU N N 15 116.827 0.02 . 1 . 196 . B 62 LEU N . 25504 1 643 . 2 2 83 83 MET H H 1 7.506 0.01 . 1 . 99 . B 63 MET H . 25504 1 644 . 2 2 83 83 MET N N 15 114.502 0.02 . 1 . 100 . B 63 MET N . 25504 1 645 . 2 2 84 84 ASN H H 1 7.373 0.01 . 1 . 44 . B 64 ASN H . 25504 1 646 . 2 2 84 84 ASN N N 15 121.073 0.02 . 1 . 43 . B 64 ASN N . 25504 1 647 . 2 2 85 85 ILE H H 1 7.966 0.01 . 1 . 107 . B 65 ILE H . 25504 1 648 . 2 2 85 85 ILE N N 15 122.915 0.02 . 1 . 108 . B 65 ILE N . 25504 1 649 . 2 2 86 86 ARG H H 1 7.724 0.01 . 1 . 211 . B 66 ARG H . 25504 1 650 . 2 2 86 86 ARG N N 15 119.952 0.02 . 1 . 212 . B 66 ARG N . 25504 1 651 . 2 2 87 87 LEU H H 1 7.581 0.01 . 1 . 123 . B 67 LEU H . 25504 1 652 . 2 2 87 87 LEU N N 15 124.685 0.02 . 1 . 124 . B 67 LEU N . 25504 1 653 . 2 2 88 88 SER H H 1 9.028 0.01 . 1 . 19 . B 68 SER H . 25504 1 654 . 2 2 88 88 SER N N 15 124.796 0.02 . 1 . 20 . B 68 SER N . 25504 1 655 . 2 2 91 91 GLU H H 1 7.692 0.01 . 1 . 235 . B 71 GLU H . 25504 1 656 . 2 2 91 91 GLU N N 15 121.445 0.02 . 1 . 236 . B 71 GLU N . 25504 1 657 . 2 2 93 93 GLU H H 1 7.970 0.01 . 1 . 87 . B 73 GLU H . 25504 1 658 . 2 2 93 93 GLU N N 15 119.103 0.02 . 1 . 88 . B 73 GLU N . 25504 1 659 . 2 2 94 94 ALA H H 1 7.558 0.01 . 1 . 42 . B 74 ALA H . 25504 1 660 . 2 2 94 94 ALA N N 15 121.173 0.02 . 1 . 41 . B 74 ALA N . 25504 1 661 . 2 2 96 96 LEU H H 1 8.706 0.01 . 1 . 62 . B 76 LEU H . 25504 1 662 . 2 2 96 96 LEU N N 15 119.611 0.02 . 1 . 61 . B 76 LEU N . 25504 1 663 . 2 2 97 97 ASN H H 1 8.164 0.01 . 1 . 179 . B 77 ASN H . 25504 1 664 . 2 2 97 97 ASN N N 15 118.949 0.02 . 1 . 180 . B 77 ASN N . 25504 1 665 . 2 2 98 98 LYS H H 1 7.888 0.01 . 1 . 131 . B 78 LYS H . 25504 1 666 . 2 2 98 98 LYS N N 15 122.631 0.02 . 1 . 132 . B 78 LYS N . 25504 1 667 . 2 2 99 99 PHE H H 1 8.867 0.01 . 1 . 163 . B 79 PHE H . 25504 1 668 . 2 2 99 99 PHE N N 15 117.583 0.02 . 1 . 164 . B 79 PHE N . 25504 1 669 . 2 2 100 100 LEU H H 1 8.019 0.01 . 1 . 191 . B 80 LEU H . 25504 1 670 . 2 2 100 100 LEU N N 15 120.111 0.02 . 1 . 192 . B 80 LEU N . 25504 1 671 . 2 2 102 102 TYR H H 1 7.839 0.01 . 1 . 117 . B 82 TYR H . 25504 1 672 . 2 2 102 102 TYR N N 15 116.554 0.02 . 1 . 118 . B 82 TYR N . 25504 1 673 . 2 2 103 103 VAL H H 1 7.178 0.01 . 1 . 153 . B 83 VAL H . 25504 1 674 . 2 2 103 103 VAL N N 15 120.929 0.02 . 1 . 154 . B 83 VAL N . 25504 1 675 . 2 2 104 104 VAL H H 1 8.449 0.01 . 1 . 77 . B 84 VAL H . 25504 1 676 . 2 2 104 104 VAL N N 15 131.225 0.02 . 1 . 78 . B 84 VAL N . 25504 1 677 . 2 2 106 106 PHE H H 1 7.815 0.01 . 1 . 76 . B 86 PHE H . 25504 1 678 . 2 2 106 106 PHE N N 15 122.214 0.02 . 1 . 75 . B 86 PHE N . 25504 1 679 . 2 2 107 107 GLU H H 1 7.757 0.01 . 1 . 8 . B 87 GLU H . 25504 1 680 . 2 2 107 107 GLU N N 15 130.082 0.02 . 1 . 7 . B 87 GLU N . 25504 1 681 . 2 2 108 108 LEU H H 1 8.808 0.01 . 1 . 6 . B 88 LEU H . 25504 1 682 . 2 2 108 108 LEU N N 15 131.902 0.02 . 1 . 5 . B 88 LEU N . 25504 1 683 . 2 2 110 110 SER H H 1 8.055 0.01 . 1 . 32 . B 90 SER H . 25504 1 684 . 2 2 110 110 SER N N 15 116.089 0.02 . 1 . 31 . B 90 SER N . 25504 1 685 . 2 2 113 113 LYS H H 1 7.666 0.01 . 1 . 133 . B 93 LYS H . 25504 1 686 . 2 2 113 113 LYS N N 15 121.522 0.02 . 1 . 134 . B 93 LYS N . 25504 1 687 . 2 2 114 114 LEU H H 1 8.301 0.01 . 1 . 193 . B 94 LEU H . 25504 1 688 . 2 2 114 114 LEU N N 15 120.350 0.02 . 1 . 194 . B 94 LEU N . 25504 1 689 . 2 2 115 115 GLN H H 1 7.991 0.01 . 1 . 34 . B 95 GLN H . 25504 1 690 . 2 2 115 115 GLN N N 15 116.978 0.02 . 1 . 33 . B 95 GLN N . 25504 1 691 . 2 2 116 116 LYS H H 1 7.163 0.01 . 1 . 46 . B 96 LYS H . 25504 1 692 . 2 2 116 116 LYS N N 15 116.393 0.02 . 1 . 45 . B 96 LYS N . 25504 1 693 . 2 2 117 117 VAL H H 1 7.452 0.01 . 1 . 79 . B 97 VAL H . 25504 1 694 . 2 2 117 117 VAL N N 15 118.539 0.02 . 1 . 80 . B 97 VAL N . 25504 1 695 . 2 2 118 118 PHE H H 1 7.554 0.01 . 1 . 115 . B 98 PHE H . 25504 1 696 . 2 2 118 118 PHE N N 15 120.081 0.02 . 1 . 116 . B 98 PHE N . 25504 1 697 . 2 2 119 119 LYS H H 1 7.414 0.01 . 1 . 36 . B 99 LYS H . 25504 1 698 . 2 2 119 119 LYS N N 15 119.893 0.02 . 1 . 35 . B 99 LYS N . 25504 1 699 . 2 2 123 123 LYS H H 1 8.498 0.01 . 1 . 217 . B 103 LYS H . 25504 1 700 . 2 2 123 123 LYS N N 15 125.245 0.02 . 1 . 218 . B 103 LYS N . 25504 1 701 . 2 2 125 125 LYS H H 1 8.172 0.01 . 1 . 11 . B 105 LYS H . 25504 1 702 . 2 2 125 125 LYS N N 15 128.011 0.02 . 1 . 12 . B 105 LYS N . 25504 1 703 . 2 2 126 126 ILE H H 1 8.010 0.01 . 1 . 14 . B 106 ILE H . 25504 1 704 . 2 2 126 126 ILE N N 15 126.512 0.02 . 1 . 13 . B 106 ILE N . 25504 1 705 . 2 2 139 139 PHE H H 1 8.497 0.01 . 1 . 171 . B 119 PHE H . 25504 1 706 . 2 2 139 139 PHE N N 15 119.067 0.02 . 1 . 172 . B 119 PHE N . 25504 1 707 . 2 2 140 140 VAL H H 1 8.789 0.01 . 1 . 239 . B 120 VAL H . 25504 1 708 . 2 2 140 140 VAL N N 15 119.450 0.02 . 1 . 240 . B 120 VAL N . 25504 1 709 . 2 2 143 143 ASN H H 1 8.977 0.01 . 1 . 185 . B 123 ASN H . 25504 1 710 . 2 2 143 143 ASN N N 15 119.127 0.02 . 1 . 186 . B 123 ASN N . 25504 1 711 . 2 2 144 144 GLU H H 1 9.310 0.01 . 1 . 187 . B 124 GLU H . 25504 1 712 . 2 2 144 144 GLU N N 15 126.497 0.02 . 1 . 188 . B 124 GLU N . 25504 1 713 . 2 2 148 148 ASN H H 1 7.950 0.01 . 1 . 83 . B 128 ASN H . 25504 1 714 . 2 2 148 148 ASN N N 15 118.453 0.02 . 1 . 84 . B 128 ASN N . 25504 1 715 . 2 2 149 149 ARG H H 1 7.552 0.01 . 1 . 121 . B 129 ARG H . 25504 1 716 . 2 2 149 149 ARG N N 15 116.763 0.02 . 1 . 122 . B 129 ARG N . 25504 1 717 . 2 2 150 150 LYS H H 1 8.402 0.01 . 1 . 141 . B 130 LYS H . 25504 1 718 . 2 2 150 150 LYS N N 15 122.832 0.02 . 1 . 142 . B 130 LYS N . 25504 1 719 . 2 2 155 155 TYR H H 1 9.358 0.01 . 1 . 54 . B 135 TYR H . 25504 1 720 . 2 2 155 155 TYR N N 15 117.760 0.02 . 1 . 53 . B 135 TYR N . 25504 1 721 . 2 2 156 156 ASP H H 1 8.682 0.01 . 1 . 213 . B 136 ASP H . 25504 1 722 . 2 2 156 156 ASP N N 15 124.031 0.02 . 1 . 214 . B 136 ASP N . 25504 1 723 . 2 2 157 157 GLU H H 1 9.095 0.01 . 1 . 56 . B 137 GLU H . 25504 1 724 . 2 2 157 157 GLU N N 15 118.668 0.02 . 1 . 55 . B 137 GLU N . 25504 1 725 . 2 2 158 158 LYS H H 1 7.993 0.01 . 1 . 127 . B 138 LYS H . 25504 1 726 . 2 2 158 158 LYS N N 15 120.601 0.02 . 1 . 128 . B 138 LYS N . 25504 1 727 . 2 2 159 159 LYS H H 1 8.440 0.01 . 1 . 48 . B 139 LYS H . 25504 1 728 . 2 2 159 159 LYS N N 15 116.086 0.02 . 1 . 47 . B 139 LYS N . 25504 1 729 . 2 2 160 160 GLN H H 1 8.609 0.01 . 1 . 64 . B 140 GLN H . 25504 1 730 . 2 2 160 160 GLN N N 15 119.735 0.02 . 1 . 63 . B 140 GLN N . 25504 1 731 . 2 2 161 161 LEU H H 1 8.296 0.01 . 1 . 15 . B 141 LEU H . 25504 1 732 . 2 2 161 161 LEU N N 15 126.204 0.02 . 1 . 16 . B 141 LEU N . 25504 1 733 . 2 2 162 162 LYS H H 1 8.918 0.01 . 1 . 135 . B 142 LYS H . 25504 1 734 . 2 2 162 162 LYS N N 15 129.461 0.02 . 1 . 136 . B 142 LYS N . 25504 1 735 . 2 2 163 163 GLY H H 1 7.833 0.01 . 1 . 25 . B 143 GLY H . 25504 1 736 . 2 2 163 163 GLY N N 15 103.406 0.02 . 1 . 26 . B 143 GLY N . 25504 1 737 . 2 2 164 164 LEU H H 1 9.782 0.01 . 1 . 52 . B 144 LEU H . 25504 1 738 . 2 2 164 164 LEU N N 15 120.750 0.02 . 1 . 51 . B 144 LEU N . 25504 1 739 . 2 2 165 165 TYR H H 1 8.221 0.01 . 1 . 30 . B 145 TYR H . 25504 1 740 . 2 2 165 165 TYR N N 15 115.348 0.02 . 1 . 29 . B 145 TYR N . 25504 1 741 . 2 2 167 167 GLU H H 1 7.976 0.01 . 1 . 245 . B 147 GLU H . 25504 1 742 . 2 2 167 167 GLU N N 15 121.251 0.02 . 1 . 246 . B 147 GLU N . 25504 1 743 . 2 2 171 171 GLN H H 1 8.108 0.01 . 1 . 241 . B 151 GLN H . 25504 1 744 . 2 2 171 171 GLN N N 15 119.393 0.02 . 1 . 242 . B 151 GLN N . 25504 1 745 . 2 2 172 172 VAL H H 1 8.675 0.01 . 1 . 155 . B 152 VAL H . 25504 1 746 . 2 2 172 172 VAL N N 15 128.127 0.02 . 1 . 156 . B 152 VAL N . 25504 1 747 . 2 2 173 173 VAL H H 1 9.113 0.01 . 1 . 157 . B 153 VAL H . 25504 1 748 . 2 2 173 173 VAL N N 15 121.603 0.02 . 1 . 158 . B 153 VAL N . 25504 1 749 . 2 2 174 174 LYS H H 1 8.163 0.01 . 1 . 68 . B 154 LYS H . 25504 1 750 . 2 2 174 174 LYS N N 15 122.893 0.02 . 1 . 67 . B 154 LYS N . 25504 1 751 . 2 2 175 175 GLY H H 1 8.553 0.01 . 1 . 249 . B 155 GLY H . 25504 1 752 . 2 2 175 175 GLY N N 15 113.649 0.02 . 1 . 250 . B 155 GLY N . 25504 1 753 . 2 2 176 176 PHE H H 1 8.371 0.01 . 1 . 207 . B 156 PHE H . 25504 1 754 . 2 2 176 176 PHE N N 15 119.575 0.02 . 1 . 208 . B 156 PHE N . 25504 1 755 . 2 2 182 182 LYS H H 1 7.637 0.01 . 1 . 209 . B 162 LYS H . 25504 1 756 . 2 2 182 182 LYS N N 15 115.932 0.02 . 1 . 210 . B 162 LYS N . 25504 1 757 . 2 2 185 185 ASN H H 1 7.984 0.01 . 1 . 125 . B 165 ASN H . 25504 1 758 . 2 2 185 185 ASN N N 15 120.767 0.02 . 1 . 126 . B 165 ASN N . 25504 1 759 . 2 2 186 186 VAL H H 1 9.480 0.01 . 1 . 50 . B 166 VAL H . 25504 1 760 . 2 2 186 186 VAL N N 15 120.917 0.02 . 1 . 49 . B 166 VAL N . 25504 1 761 . 2 2 187 187 SER H H 1 8.614 0.01 . 1 . 251 . B 167 SER H . 25504 1 762 . 2 2 187 187 SER N N 15 113.885 0.02 . 1 . 252 . B 167 SER N . 25504 1 763 . 2 2 188 188 LEU H H 1 8.629 0.01 . 1 . 197 . B 168 LEU H . 25504 1 764 . 2 2 188 188 LEU N N 15 125.869 0.02 . 1 . 198 . B 168 LEU N . 25504 1 765 . 2 2 189 189 PHE H H 1 8.334 0.01 . 1 . 165 . B 169 PHE H . 25504 1 766 . 2 2 189 189 PHE N N 15 131.889 0.02 . 1 . 166 . B 169 PHE N . 25504 1 767 . 2 2 191 191 LYS H H 1 9.071 0.01 . 1 . 137 . B 171 LYS H . 25504 1 768 . 2 2 191 191 LYS N N 15 125.824 0.02 . 1 . 138 . B 171 LYS N . 25504 1 769 . 2 2 192 192 LYS H H 1 8.407 0.01 . 1 . 143 . B 172 LYS H . 25504 1 770 . 2 2 192 192 LYS N N 15 123.600 0.02 . 1 . 144 . B 172 LYS N . 25504 1 771 . 2 2 201 201 TYR H H 1 8.093 0.01 . 1 . 95 . B 181 TYR H . 25504 1 772 . 2 2 201 201 TYR N N 15 120.956 0.02 . 1 . 96 . B 181 TYR N . 25504 1 773 . 2 2 202 202 VAL H H 1 8.410 0.01 . 1 . 159 . B 182 VAL H . 25504 1 774 . 2 2 202 202 VAL N N 15 124.509 0.02 . 1 . 160 . B 182 VAL N . 25504 1 775 . 2 2 203 203 LYS H H 1 7.992 0.01 . 1 . 219 . B 183 LYS H . 25504 1 776 . 2 2 203 203 LYS N N 15 123.413 0.02 . 1 . 220 . B 183 LYS N . 25504 1 777 . 2 2 204 204 LYS H H 1 8.240 0.01 . 1 . 103 . B 184 LYS H . 25504 1 778 . 2 2 204 204 LYS N N 15 123.159 0.02 . 1 . 104 . B 184 LYS N . 25504 1 779 . 2 2 206 206 ASP H H 1 8.280 0.01 . 1 . 230 . B 186 ASP H . 25504 1 780 . 2 2 206 206 ASP N N 15 117.656 0.02 . 1 . 229 . B 186 ASP N . 25504 1 781 . 2 2 210 210 ARG H H 1 8.012 0.01 . 1 . 109 . B 190 ARG H . 25504 1 782 . 2 2 210 210 ARG N N 15 124.668 0.02 . 1 . 110 . B 190 ARG N . 25504 1 783 . 2 2 211 211 ASP H H 1 8.818 0.01 . 1 . 60 . B 191 ASP H . 25504 1 784 . 2 2 211 211 ASP N N 15 120.721 0.02 . 1 . 59 . . 191 ASP N . 25504 1 785 . 2 2 212 212 SER H H 1 9.316 0.01 . 1 . 58 . B 192 SER H . 25504 1 786 . 2 2 212 212 SER N N 15 120.840 0.02 . 1 . 57 . B 192 SER N . 25504 1 787 . 2 2 213 213 ILE H H 1 8.383 0.01 . 1 . 69 . B 193 ILE H . 25504 1 788 . 2 2 213 213 ILE N N 15 126.754 0.02 . 1 . 70 . B 193 ILE N . 25504 1 789 . 2 2 214 214 HIS H H 1 6.963 0.01 . 1 . 23 . B 194 HIS H . 25504 1 790 . 2 2 214 214 HIS N N 15 121.214 0.02 . 1 . 24 . B 194 HIS N . 25504 1 791 . 2 2 215 215 CYS H H 1 7.478 0.01 . 1 . 40 . B 195 CYS H . 25504 1 792 . 2 2 215 215 CYS N N 15 122.063 0.02 . 1 . 39 . B 195 CYS N . 25504 1 793 . 2 2 219 219 LEU H H 1 7.503 0.01 . 1 . 205 . B 199 LEU H . 25504 1 794 . 2 2 219 219 LEU N N 15 124.715 0.02 . 1 . 206 . B 199 LEU N . 25504 1 795 . 2 2 220 220 THR H H 1 8.826 0.01 . 1 . 254 . B 200 THR H . 25504 1 796 . 2 2 220 220 THR N N 15 114.983 0.02 . 1 . 253 . B 200 THR N . 25504 1 797 . 2 2 222 222 ILE H H 1 6.605 0.01 . 1 . 9 . B 202 ILE H . 25504 1 798 . 2 2 222 222 ILE N N 15 126.244 0.02 . 1 . 10 . B 202 ILE N . 25504 1 799 . 2 2 223 223 ASN H H 1 8.235 0.01 . 1 . 74 . B 203 ASN H . 25504 1 800 . 2 2 223 223 ASN N N 15 120.737 0.02 . 1 . 73 . B 203 ASN N . 25504 1 801 . 2 2 224 224 GLN H H 1 7.529 0.01 . 1 . 81 . B 204 GLN H . 25504 1 802 . 2 2 224 224 GLN N N 15 118.577 0.02 . 1 . 82 . B 204 GLN N . 25504 1 803 . 2 2 225 225 PHE H H 1 6.884 0.01 . 1 . 167 . B 205 PHE H . 25504 1 804 . 2 2 225 225 PHE N N 15 119.119 0.02 . 1 . 168 . B 205 PHE N . 25504 1 805 . 2 2 226 226 TYR H H 1 7.660 0.01 . 1 . 72 . B 206 TYR H . 25504 1 806 . 2 2 226 226 TYR N N 15 118.560 0.02 . 1 . 71 . B 206 TYR N . 25504 1 807 . 2 2 227 227 ASN H H 1 8.370 0.01 . 1 . 183 . B 207 ASN H . 25504 1 808 . 2 2 227 227 ASN N N 15 117.527 0.02 . 1 . 184 . B 207 ASN N . 25504 1 809 . 2 2 228 228 PHE H H 1 7.250 0.01 . 1 . 169 . B 208 PHE H . 25504 1 810 . 2 2 228 228 PHE N N 15 122.276 0.02 . 1 . 170 . B 208 PHE N . 25504 1 811 . 2 2 231 231 LYS H H 1 7.293 0.01 . 1 . 145 . B 211 LYS H . 25504 1 812 . 2 2 231 231 LYS N N 15 116.954 0.02 . 1 . 146 . B 211 LYS N . 25504 1 stop_ save_