data_25368 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25368 _Entry.Title ; Backbone 1H, 13C and 15N chemical shifts for Staphylococcus aureus EF-GC3, a truncated form of elongation factor G comprising domains III-V. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-26 _Entry.Accession_date 2014-11-26 _Entry.Last_release_date 2014-11-26 _Entry.Original_release_date 2014-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR backbone chemical shifts for domains III-V of Staphylococcus aureus elongation factor G' _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. . . 25368 2 Alex O'Neill . . . . 25368 3 Steve Homans . W. . . 25368 4 Anastasia Zhuravleva . . . . 25368 5 Arnout Kalverda . P. . . 25368 6 Gary Thompson . S. . . 25368 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' . 25368 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" . 25368 2 . 'NMR Group' . 25368 3 . 'Homans Group' . 25368 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25368 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 727 25368 '15N chemical shifts' 234 25368 '1H chemical shifts' 234 25368 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 . . 2019-07-11 . original BMRB . 25368 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2XEX 'Structure of Staphylococcus aureus EF-G.' 25368 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25368 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep19524 _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 'Scientific reports' _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 J. H. . . 25368 1 2 Gary Thompson G. S. . . 25368 1 3 Arnout Kalverda A. P. . . 25368 1 4 Anastasia Zhuravleva A. . . . 25368 1 5 Alex O'Neill A. J. . . 25368 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EF-G 25368 1 FusB 25368 1 allostery 25368 1 'antibiotic resistance' 25368 1 'fusidic acid' 25368 1 structure 25368 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25368 _Assembly.ID 1 _Assembly.Name 'EF-GC3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 33424.6284 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 EF-GC3 1 $EF-GC3 A . yes native no no . . . 25368 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Translocation factor for bacterial protein synthesis' 25368 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EF-GC3 _Entity.Sf_category entity _Entity.Sf_framecode EF-GC3 _Entity.Entry_ID 25368 _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 SIAEDIIKKNKGELEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This truncated protein begins at residue 401 of the full length EF-G protein and comprises domains III-V of 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 301 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Domains III-V' _Entity.Mutation 'Deletion of residues 1-400, thereby deleting domains I and II.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33424.6284 _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 . . . . . . . . . . . . . . 25368 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Translocation factor for bacterial protein sysnthesis' 25368 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 . 25368 1 2 402 GLU . 25368 1 3 403 PHE . 25368 1 4 404 PRO . 25368 1 5 405 GLU . 25368 1 6 406 PRO . 25368 1 7 407 VAL . 25368 1 8 408 ILE . 25368 1 9 409 HIS . 25368 1 10 410 LEU . 25368 1 11 411 SER . 25368 1 12 412 VAL . 25368 1 13 413 GLU . 25368 1 14 414 PRO . 25368 1 15 415 LYS . 25368 1 16 416 SER . 25368 1 17 417 LYS . 25368 1 18 418 ALA . 25368 1 19 419 ASP . 25368 1 20 420 GLN . 25368 1 21 421 ASP . 25368 1 22 422 LYS . 25368 1 23 423 MET . 25368 1 24 424 THR . 25368 1 25 425 GLN . 25368 1 26 426 ALA . 25368 1 27 427 LEU . 25368 1 28 428 VAL . 25368 1 29 429 LYS . 25368 1 30 430 LEU . 25368 1 31 431 GLN . 25368 1 32 432 GLU . 25368 1 33 433 GLU . 25368 1 34 434 ASP . 25368 1 35 435 PRO . 25368 1 36 436 THR . 25368 1 37 437 PHE . 25368 1 38 438 HIS . 25368 1 39 439 ALA . 25368 1 40 440 HIS . 25368 1 41 441 THR . 25368 1 42 442 ASP . 25368 1 43 443 GLU . 25368 1 44 444 GLU . 25368 1 45 445 THR . 25368 1 46 446 GLY . 25368 1 47 447 GLN . 25368 1 48 448 VAL . 25368 1 49 449 ILE . 25368 1 50 450 ILE . 25368 1 51 451 GLY . 25368 1 52 452 GLY . 25368 1 53 453 MET . 25368 1 54 454 GLY . 25368 1 55 455 GLU . 25368 1 56 456 LEU . 25368 1 57 457 HIS . 25368 1 58 458 LEU . 25368 1 59 459 ASP . 25368 1 60 460 ILE . 25368 1 61 461 LEU . 25368 1 62 462 VAL . 25368 1 63 463 ASP . 25368 1 64 464 ARG . 25368 1 65 465 MET . 25368 1 66 466 LYS . 25368 1 67 467 LYS . 25368 1 68 468 GLU . 25368 1 69 469 PHE . 25368 1 70 470 ASN . 25368 1 71 471 VAL . 25368 1 72 472 GLU . 25368 1 73 473 CYS . 25368 1 74 474 ASN . 25368 1 75 475 VAL . 25368 1 76 476 GLY . 25368 1 77 477 ALA . 25368 1 78 478 PRO . 25368 1 79 479 MET . 25368 1 80 480 VAL . 25368 1 81 481 SER . 25368 1 82 482 TYR . 25368 1 83 483 ARG . 25368 1 84 484 GLU . 25368 1 85 485 THR . 25368 1 86 486 PHE . 25368 1 87 487 LYS . 25368 1 88 488 SER . 25368 1 89 489 SER . 25368 1 90 490 ALA . 25368 1 91 491 GLN . 25368 1 92 492 VAL . 25368 1 93 493 GLN . 25368 1 94 494 GLY . 25368 1 95 495 LYS . 25368 1 96 496 PHE . 25368 1 97 497 SER . 25368 1 98 498 ARG . 25368 1 99 499 GLN . 25368 1 100 500 SER . 25368 1 101 501 GLY . 25368 1 102 502 GLY . 25368 1 103 503 ARG . 25368 1 104 504 GLY . 25368 1 105 505 GLN . 25368 1 106 506 TYR . 25368 1 107 507 GLY . 25368 1 108 508 ASP . 25368 1 109 509 VAL . 25368 1 110 510 HIS . 25368 1 111 511 ILE . 25368 1 112 512 GLU . 25368 1 113 513 PHE . 25368 1 114 514 THR . 25368 1 115 515 PRO . 25368 1 116 516 ASN . 25368 1 117 517 GLU . 25368 1 118 518 THR . 25368 1 119 519 GLY . 25368 1 120 520 ALA . 25368 1 121 521 GLY . 25368 1 122 522 PHE . 25368 1 123 523 GLU . 25368 1 124 524 PHE . 25368 1 125 525 GLU . 25368 1 126 526 ASN . 25368 1 127 527 ALA . 25368 1 128 528 ILE . 25368 1 129 529 VAL . 25368 1 130 530 GLY . 25368 1 131 531 GLY . 25368 1 132 532 VAL . 25368 1 133 533 VAL . 25368 1 134 534 PRO . 25368 1 135 535 ARG . 25368 1 136 536 GLU . 25368 1 137 537 TYR . 25368 1 138 538 ILE . 25368 1 139 539 PRO . 25368 1 140 540 SER . 25368 1 141 541 VAL . 25368 1 142 542 GLU . 25368 1 143 543 ALA . 25368 1 144 544 GLY . 25368 1 145 545 LEU . 25368 1 146 546 LYS . 25368 1 147 547 ASP . 25368 1 148 548 ALA . 25368 1 149 549 MET . 25368 1 150 550 GLU . 25368 1 151 551 ASN . 25368 1 152 552 GLY . 25368 1 153 553 VAL . 25368 1 154 554 LEU . 25368 1 155 555 ALA . 25368 1 156 556 GLY . 25368 1 157 557 TYR . 25368 1 158 558 PRO . 25368 1 159 559 LEU . 25368 1 160 560 ILE . 25368 1 161 561 ASP . 25368 1 162 562 VAL . 25368 1 163 563 LYS . 25368 1 164 564 ALA . 25368 1 165 565 LYS . 25368 1 166 566 LEU . 25368 1 167 567 TYR . 25368 1 168 568 ASP . 25368 1 169 569 GLY . 25368 1 170 570 SER . 25368 1 171 571 TYR . 25368 1 172 572 HIS . 25368 1 173 573 ASP . 25368 1 174 574 VAL . 25368 1 175 575 ASP . 25368 1 176 576 SER . 25368 1 177 577 SER . 25368 1 178 578 GLU . 25368 1 179 579 MET . 25368 1 180 580 ALA . 25368 1 181 581 PHE . 25368 1 182 582 LYS . 25368 1 183 583 ILE . 25368 1 184 584 ALA . 25368 1 185 585 ALA . 25368 1 186 586 SER . 25368 1 187 587 LEU . 25368 1 188 588 ALA . 25368 1 189 589 LEU . 25368 1 190 590 LYS . 25368 1 191 591 GLU . 25368 1 192 592 ALA . 25368 1 193 593 ALA . 25368 1 194 594 LYS . 25368 1 195 595 LYS . 25368 1 196 596 CYS . 25368 1 197 597 ASP . 25368 1 198 598 PRO . 25368 1 199 599 VAL . 25368 1 200 600 ILE . 25368 1 201 601 LEU . 25368 1 202 602 GLU . 25368 1 203 603 PRO . 25368 1 204 604 MET . 25368 1 205 605 MET . 25368 1 206 606 LYS . 25368 1 207 607 VAL . 25368 1 208 608 THR . 25368 1 209 609 ILE . 25368 1 210 610 GLU . 25368 1 211 611 MET . 25368 1 212 612 PRO . 25368 1 213 613 GLU . 25368 1 214 614 GLU . 25368 1 215 615 TYR . 25368 1 216 616 MET . 25368 1 217 617 GLY . 25368 1 218 618 ASP . 25368 1 219 619 ILE . 25368 1 220 620 MET . 25368 1 221 621 GLY . 25368 1 222 622 ASP . 25368 1 223 623 VAL . 25368 1 224 624 THR . 25368 1 225 625 SER . 25368 1 226 626 ARG . 25368 1 227 627 ARG . 25368 1 228 628 GLY . 25368 1 229 629 ARG . 25368 1 230 630 VAL . 25368 1 231 631 ASP . 25368 1 232 632 GLY . 25368 1 233 633 MET . 25368 1 234 634 GLU . 25368 1 235 635 PRO . 25368 1 236 636 ARG . 25368 1 237 637 GLY . 25368 1 238 638 ASN . 25368 1 239 639 ALA . 25368 1 240 640 GLN . 25368 1 241 641 VAL . 25368 1 242 642 VAL . 25368 1 243 643 ASN . 25368 1 244 644 ALA . 25368 1 245 645 TYR . 25368 1 246 646 VAL . 25368 1 247 647 PRO . 25368 1 248 648 LEU . 25368 1 249 649 SER . 25368 1 250 650 GLU . 25368 1 251 651 MET . 25368 1 252 652 PHE . 25368 1 253 653 GLY . 25368 1 254 654 TYR . 25368 1 255 655 ALA . 25368 1 256 656 THR . 25368 1 257 657 SER . 25368 1 258 658 LEU . 25368 1 259 659 ARG . 25368 1 260 660 SER . 25368 1 261 661 ASN . 25368 1 262 662 THR . 25368 1 263 663 GLN . 25368 1 264 664 GLY . 25368 1 265 665 ARG . 25368 1 266 666 GLY . 25368 1 267 667 THR . 25368 1 268 668 TYR . 25368 1 269 669 THR . 25368 1 270 670 MET . 25368 1 271 671 TYR . 25368 1 272 672 PHE . 25368 1 273 673 ASP . 25368 1 274 674 HIS . 25368 1 275 675 TYR . 25368 1 276 676 ALA . 25368 1 277 677 GLU . 25368 1 278 678 VAL . 25368 1 279 679 PRO . 25368 1 280 680 LYS . 25368 1 281 681 SER . 25368 1 282 682 ILE . 25368 1 283 683 ALA . 25368 1 284 684 GLU . 25368 1 285 685 ASP . 25368 1 286 686 ILE . 25368 1 287 687 ILE . 25368 1 288 688 LYS . 25368 1 289 689 LYS . 25368 1 290 690 ASN . 25368 1 291 691 LYS . 25368 1 292 692 GLY . 25368 1 293 693 GLU . 25368 1 294 694 LEU . 25368 1 295 695 GLU . 25368 1 296 696 HIS . 25368 1 297 697 HIS . 25368 1 298 698 HIS . 25368 1 299 699 HIS . 25368 1 300 700 HIS . 25368 1 301 701 HIS . 25368 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 25368 1 . GLU 2 2 25368 1 . PHE 3 3 25368 1 . PRO 4 4 25368 1 . GLU 5 5 25368 1 . PRO 6 6 25368 1 . VAL 7 7 25368 1 . ILE 8 8 25368 1 . HIS 9 9 25368 1 . LEU 10 10 25368 1 . SER 11 11 25368 1 . VAL 12 12 25368 1 . GLU 13 13 25368 1 . PRO 14 14 25368 1 . LYS 15 15 25368 1 . SER 16 16 25368 1 . LYS 17 17 25368 1 . ALA 18 18 25368 1 . ASP 19 19 25368 1 . GLN 20 20 25368 1 . ASP 21 21 25368 1 . LYS 22 22 25368 1 . MET 23 23 25368 1 . THR 24 24 25368 1 . GLN 25 25 25368 1 . ALA 26 26 25368 1 . LEU 27 27 25368 1 . VAL 28 28 25368 1 . LYS 29 29 25368 1 . LEU 30 30 25368 1 . GLN 31 31 25368 1 . GLU 32 32 25368 1 . GLU 33 33 25368 1 . ASP 34 34 25368 1 . PRO 35 35 25368 1 . THR 36 36 25368 1 . PHE 37 37 25368 1 . HIS 38 38 25368 1 . ALA 39 39 25368 1 . HIS 40 40 25368 1 . THR 41 41 25368 1 . ASP 42 42 25368 1 . GLU 43 43 25368 1 . GLU 44 44 25368 1 . THR 45 45 25368 1 . GLY 46 46 25368 1 . GLN 47 47 25368 1 . VAL 48 48 25368 1 . ILE 49 49 25368 1 . ILE 50 50 25368 1 . GLY 51 51 25368 1 . GLY 52 52 25368 1 . MET 53 53 25368 1 . GLY 54 54 25368 1 . GLU 55 55 25368 1 . LEU 56 56 25368 1 . HIS 57 57 25368 1 . LEU 58 58 25368 1 . ASP 59 59 25368 1 . ILE 60 60 25368 1 . LEU 61 61 25368 1 . VAL 62 62 25368 1 . ASP 63 63 25368 1 . ARG 64 64 25368 1 . MET 65 65 25368 1 . LYS 66 66 25368 1 . LYS 67 67 25368 1 . GLU 68 68 25368 1 . PHE 69 69 25368 1 . ASN 70 70 25368 1 . VAL 71 71 25368 1 . GLU 72 72 25368 1 . CYS 73 73 25368 1 . ASN 74 74 25368 1 . VAL 75 75 25368 1 . GLY 76 76 25368 1 . ALA 77 77 25368 1 . PRO 78 78 25368 1 . MET 79 79 25368 1 . VAL 80 80 25368 1 . SER 81 81 25368 1 . TYR 82 82 25368 1 . ARG 83 83 25368 1 . GLU 84 84 25368 1 . THR 85 85 25368 1 . PHE 86 86 25368 1 . LYS 87 87 25368 1 . SER 88 88 25368 1 . SER 89 89 25368 1 . ALA 90 90 25368 1 . GLN 91 91 25368 1 . VAL 92 92 25368 1 . GLN 93 93 25368 1 . GLY 94 94 25368 1 . LYS 95 95 25368 1 . PHE 96 96 25368 1 . SER 97 97 25368 1 . ARG 98 98 25368 1 . GLN 99 99 25368 1 . SER 100 100 25368 1 . GLY 101 101 25368 1 . GLY 102 102 25368 1 . ARG 103 103 25368 1 . GLY 104 104 25368 1 . GLN 105 105 25368 1 . TYR 106 106 25368 1 . GLY 107 107 25368 1 . ASP 108 108 25368 1 . VAL 109 109 25368 1 . HIS 110 110 25368 1 . ILE 111 111 25368 1 . GLU 112 112 25368 1 . PHE 113 113 25368 1 . THR 114 114 25368 1 . PRO 115 115 25368 1 . ASN 116 116 25368 1 . GLU 117 117 25368 1 . THR 118 118 25368 1 . GLY 119 119 25368 1 . ALA 120 120 25368 1 . GLY 121 121 25368 1 . PHE 122 122 25368 1 . GLU 123 123 25368 1 . PHE 124 124 25368 1 . GLU 125 125 25368 1 . ASN 126 126 25368 1 . ALA 127 127 25368 1 . ILE 128 128 25368 1 . VAL 129 129 25368 1 . GLY 130 130 25368 1 . GLY 131 131 25368 1 . VAL 132 132 25368 1 . VAL 133 133 25368 1 . PRO 134 134 25368 1 . ARG 135 135 25368 1 . GLU 136 136 25368 1 . TYR 137 137 25368 1 . ILE 138 138 25368 1 . PRO 139 139 25368 1 . SER 140 140 25368 1 . VAL 141 141 25368 1 . GLU 142 142 25368 1 . ALA 143 143 25368 1 . GLY 144 144 25368 1 . LEU 145 145 25368 1 . LYS 146 146 25368 1 . ASP 147 147 25368 1 . ALA 148 148 25368 1 . MET 149 149 25368 1 . GLU 150 150 25368 1 . ASN 151 151 25368 1 . GLY 152 152 25368 1 . VAL 153 153 25368 1 . LEU 154 154 25368 1 . ALA 155 155 25368 1 . GLY 156 156 25368 1 . TYR 157 157 25368 1 . PRO 158 158 25368 1 . LEU 159 159 25368 1 . ILE 160 160 25368 1 . ASP 161 161 25368 1 . VAL 162 162 25368 1 . LYS 163 163 25368 1 . ALA 164 164 25368 1 . LYS 165 165 25368 1 . LEU 166 166 25368 1 . TYR 167 167 25368 1 . ASP 168 168 25368 1 . GLY 169 169 25368 1 . SER 170 170 25368 1 . TYR 171 171 25368 1 . HIS 172 172 25368 1 . ASP 173 173 25368 1 . VAL 174 174 25368 1 . ASP 175 175 25368 1 . SER 176 176 25368 1 . SER 177 177 25368 1 . GLU 178 178 25368 1 . MET 179 179 25368 1 . ALA 180 180 25368 1 . PHE 181 181 25368 1 . LYS 182 182 25368 1 . ILE 183 183 25368 1 . ALA 184 184 25368 1 . ALA 185 185 25368 1 . SER 186 186 25368 1 . LEU 187 187 25368 1 . ALA 188 188 25368 1 . LEU 189 189 25368 1 . LYS 190 190 25368 1 . GLU 191 191 25368 1 . ALA 192 192 25368 1 . ALA 193 193 25368 1 . LYS 194 194 25368 1 . LYS 195 195 25368 1 . CYS 196 196 25368 1 . ASP 197 197 25368 1 . PRO 198 198 25368 1 . VAL 199 199 25368 1 . ILE 200 200 25368 1 . LEU 201 201 25368 1 . GLU 202 202 25368 1 . PRO 203 203 25368 1 . MET 204 204 25368 1 . MET 205 205 25368 1 . LYS 206 206 25368 1 . VAL 207 207 25368 1 . THR 208 208 25368 1 . ILE 209 209 25368 1 . GLU 210 210 25368 1 . MET 211 211 25368 1 . PRO 212 212 25368 1 . GLU 213 213 25368 1 . GLU 214 214 25368 1 . TYR 215 215 25368 1 . MET 216 216 25368 1 . GLY 217 217 25368 1 . ASP 218 218 25368 1 . ILE 219 219 25368 1 . MET 220 220 25368 1 . GLY 221 221 25368 1 . ASP 222 222 25368 1 . VAL 223 223 25368 1 . THR 224 224 25368 1 . SER 225 225 25368 1 . ARG 226 226 25368 1 . ARG 227 227 25368 1 . GLY 228 228 25368 1 . ARG 229 229 25368 1 . VAL 230 230 25368 1 . ASP 231 231 25368 1 . GLY 232 232 25368 1 . MET 233 233 25368 1 . GLU 234 234 25368 1 . PRO 235 235 25368 1 . ARG 236 236 25368 1 . GLY 237 237 25368 1 . ASN 238 238 25368 1 . ALA 239 239 25368 1 . GLN 240 240 25368 1 . VAL 241 241 25368 1 . VAL 242 242 25368 1 . ASN 243 243 25368 1 . ALA 244 244 25368 1 . TYR 245 245 25368 1 . VAL 246 246 25368 1 . PRO 247 247 25368 1 . LEU 248 248 25368 1 . SER 249 249 25368 1 . GLU 250 250 25368 1 . MET 251 251 25368 1 . PHE 252 252 25368 1 . GLY 253 253 25368 1 . TYR 254 254 25368 1 . ALA 255 255 25368 1 . THR 256 256 25368 1 . SER 257 257 25368 1 . LEU 258 258 25368 1 . ARG 259 259 25368 1 . SER 260 260 25368 1 . ASN 261 261 25368 1 . THR 262 262 25368 1 . GLN 263 263 25368 1 . GLY 264 264 25368 1 . ARG 265 265 25368 1 . GLY 266 266 25368 1 . THR 267 267 25368 1 . TYR 268 268 25368 1 . THR 269 269 25368 1 . MET 270 270 25368 1 . TYR 271 271 25368 1 . PHE 272 272 25368 1 . ASP 273 273 25368 1 . HIS 274 274 25368 1 . TYR 275 275 25368 1 . ALA 276 276 25368 1 . GLU 277 277 25368 1 . VAL 278 278 25368 1 . PRO 279 279 25368 1 . LYS 280 280 25368 1 . SER 281 281 25368 1 . ILE 282 282 25368 1 . ALA 283 283 25368 1 . GLU 284 284 25368 1 . ASP 285 285 25368 1 . ILE 286 286 25368 1 . ILE 287 287 25368 1 . LYS 288 288 25368 1 . LYS 289 289 25368 1 . ASN 290 290 25368 1 . LYS 291 291 25368 1 . GLY 292 292 25368 1 . GLU 293 293 25368 1 . LEU 294 294 25368 1 . GLU 295 295 25368 1 . HIS 296 296 25368 1 . HIS 297 297 25368 1 . HIS 298 298 25368 1 . HIS 299 299 25368 1 . HIS 300 300 25368 1 . HIS 301 301 25368 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25368 _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 version of EF-G comprising domains III-V' 25368 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 25368 _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' . . Escherichia coli 'BL21 Gold' . . . . . pET-29b . . . 25368 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25368 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM 15N 13C partially 2H (expressed in D2O with 1H glucose) EF-GC3 in 20 mM TrisHCl, 300 mM NaCl, 1 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; U-80% 2H]' . . 1 $EF-GC3 . . 0.3 . . mM . . . . 25368 1 2 TrisHCl 'natural abundance' . . . . . . 20 . . mM . . . . 25368 1 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 25368 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25368 1 stop_ save_ ####################### # Sample conditions # ####################### save_standard_buffer _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_buffer _Sample_condition_list.Entry_ID 25368 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM TrisHCl, 300 mM NaCl, 1 mM DTT, 10 % D2O, 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' 0.310 0.002 M 25368 1 pH 8.000 0.01 pH 25368 1 pressure 1.000 . atm 25368 1 temperature 273 . K 25368 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25368 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.1 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 25368 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 25368 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 25368 _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 1 600 Varian Inova . 600 . . . 25368 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 25368 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Varian _NMR_spectrometer_probe.Model . _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 . 25368 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25368 _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 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_buffer . . . 1 $600 1 $600_probe . . . . . . . . . . . . . . 25368 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_buffer . . . 1 $600 1 $600_probe . . . . . . . . . . . . . . 25368 1 3 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_buffer . . . 1 $600 1 $600_probe . . . . . . . . . . . . . . 25368 1 4 'HNCACO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_buffer . . . 1 $600 1 $600_probe . . . . . . . . . . . . . . 25368 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_buffer . . . 1 $600 1 $600_probe . . . . . . . . . . . . . . 25368 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_buffer . . . 1 $600 1 $600_probe . . . . . . . . . . . . . . 25368 1 7 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_buffer . . . 1 $600 1 $600_probe . . . . . . . . . . . . . . 25368 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 25368 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . 25368 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 25368 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . 25368 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25368 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_buffer _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 '3D HN(CO)CA' . . isotropic 25368 1 2 '3D HNCO' . . isotropic 25368 1 3 '2D 1H-15N HSQC/HMQC' . . isotropic 25368 1 4 'HNCACO (H[N[ca[CO]]])' . . isotropic 25368 1 5 '3D HNCA' . . isotropic 25368 1 6 '3D HNCACB' . . isotropic 25368 1 7 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' . . isotropic 25368 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25368 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PRO C C 13 177.472 0.092 . 1 . . 1558 . . 404 PRO C . 25368 1 2 . 1 1 4 4 PRO CA C 13 62.818 0.046 . 1 . . 1556 . . 404 PRO CA . 25368 1 3 . 1 1 4 4 PRO CB C 13 31.594 0.054 . 1 . . 1557 . . 404 PRO CB . 25368 1 4 . 1 1 5 5 GLU H H 1 8.744 0.003 . 1 . . 232 . . 405 GLU H . 25368 1 5 . 1 1 5 5 GLU C C 13 177.392 0.092 . 1 . . 1417 . . 405 GLU C . 25368 1 6 . 1 1 5 5 GLU CA C 13 59.231 0.046 . 1 . . 1418 . . 405 GLU CA . 25368 1 7 . 1 1 5 5 GLU CB C 13 28.596 0.054 . 1 . . 1477 . . 405 GLU CB . 25368 1 8 . 1 1 5 5 GLU N N 15 123.915 0.005 . 1 . . 231 . . 405 GLU N . 25368 1 9 . 1 1 8 8 ILE C C 13 172.260 0.092 . 1 . . 1300 . . 408 ILE C . 25368 1 10 . 1 1 8 8 ILE CA C 13 58.536 0.046 . 1 . . 1299 . . 408 ILE CA . 25368 1 11 . 1 1 9 9 HIS H H 1 8.644 0.002 . 1 . . 237 . . 409 HIS H . 25368 1 12 . 1 1 9 9 HIS C C 13 173.918 0.003 . 1 . . 1015 . . 409 HIS C . 25368 1 13 . 1 1 9 9 HIS CA C 13 54.728 0.036 . 1 . . 1016 . . 409 HIS CA . 25368 1 14 . 1 1 9 9 HIS CB C 13 33.713 0.028 . 1 . . 1014 . . 409 HIS CB . 25368 1 15 . 1 1 9 9 HIS N N 15 123.149 0.006 . 1 . . 236 . . 409 HIS N . 25368 1 16 . 1 1 10 10 LEU H H 1 8.953 0.003 . 1 . . 187 . . 410 LEU H . 25368 1 17 . 1 1 10 10 LEU C C 13 174.799 0.047 . 1 . . 1011 . . 410 LEU C . 25368 1 18 . 1 1 10 10 LEU CA C 13 53.772 0.049 . 1 . . 1013 . . 410 LEU CA . 25368 1 19 . 1 1 10 10 LEU CB C 13 45.594 0.025 . 1 . . 1012 . . 410 LEU CB . 25368 1 20 . 1 1 10 10 LEU N N 15 118.545 0.01 . 1 . . 188 . . 410 LEU N . 25368 1 21 . 1 1 11 11 SER H H 1 8.640 0.003 . 1 . . 183 . . 411 SER H . 25368 1 22 . 1 1 11 11 SER C C 13 173.923 0.005 . 1 . . 1010 . . 411 SER C . 25368 1 23 . 1 1 11 11 SER CA C 13 56.642 0.017 . 1 . . 1008 . . 411 SER CA . 25368 1 24 . 1 1 11 11 SER CB C 13 65.017 0.116 . 1 . . 1009 . . 411 SER CB . 25368 1 25 . 1 1 11 11 SER N N 15 118.114 0.011 . 1 . . 184 . . 411 SER N . 25368 1 26 . 1 1 12 12 VAL H H 1 9.083 0.003 . 1 . . 136 . . 412 VAL H . 25368 1 27 . 1 1 12 12 VAL C C 13 174.097 0.058 . 1 . . 914 . . 412 VAL C . 25368 1 28 . 1 1 12 12 VAL CA C 13 60.383 0.001 . 1 . . 915 . . 412 VAL CA . 25368 1 29 . 1 1 12 12 VAL CB C 13 33.681 0.012 . 1 . . 916 . . 412 VAL CB . 25368 1 30 . 1 1 12 12 VAL N N 15 123.423 0.013 . 1 . . 135 . . 412 VAL N . 25368 1 31 . 1 1 13 13 GLU H H 1 8.628 0.006 . 1 . . 247 . . 413 GLU H . 25368 1 32 . 1 1 13 13 GLU C C 13 174.051 0.092 . 1 . . 1302 . . 413 GLU C . 25368 1 33 . 1 1 13 13 GLU CA C 13 51.518 0.046 . 1 . . 1301 . . 413 GLU CA . 25368 1 34 . 1 1 13 13 GLU CB C 13 31.202 0.054 . 1 . . 1303 . . 413 GLU CB . 25368 1 35 . 1 1 13 13 GLU N N 15 125.324 0.13 . 1 . . 246 . . 413 GLU N . 25368 1 36 . 1 1 18 18 ALA C C 13 180.803 0.092 . 1 . . 1548 . . 418 ALA C . 25368 1 37 . 1 1 18 18 ALA CA C 13 54.301 0.046 . 1 . . 1547 . . 418 ALA CA . 25368 1 38 . 1 1 18 18 ALA CB C 13 17.412 0.054 . 1 . . 1546 . . 418 ALA CB . 25368 1 39 . 1 1 19 19 ASP H H 1 7.724 0.004 . 1 . . 460 . . 419 ASP H . 25368 1 40 . 1 1 19 19 ASP C C 13 177.209 0.088 . 1 . . 1214 . . 419 ASP C . 25368 1 41 . 1 1 19 19 ASP CA C 13 57.284 0.003 . 1 . . 1215 . . 419 ASP CA . 25368 1 42 . 1 1 19 19 ASP CB C 13 42.741 0.054 . 1 . . 1501 . . 419 ASP CB . 25368 1 43 . 1 1 19 19 ASP N N 15 117.208 0.007 . 1 . . 461 . . 419 ASP N . 25368 1 44 . 1 1 20 20 GLN H H 1 8.073 0.001 . 1 . . 309 . . 420 GLN H . 25368 1 45 . 1 1 20 20 GLN C C 13 178.004 0.074 . 1 . . 1444 . . 420 GLN C . 25368 1 46 . 1 1 20 20 GLN CA C 13 59.050 0.046 . 1 . . 1503 . . 420 GLN CA . 25368 1 47 . 1 1 20 20 GLN CB C 13 28.577 1.336 . 1 . . 1502 . . 420 GLN CB . 25368 1 48 . 1 1 20 20 GLN N N 15 123.190 0.005 . 1 . . 308 . . 420 GLN N . 25368 1 49 . 1 1 21 21 ASP H H 1 8.138 0.002 . 1 . . 361 . . 421 ASP H . 25368 1 50 . 1 1 21 21 ASP C C 13 179.232 0.092 . 1 . . 1504 . . 421 ASP C . 25368 1 51 . 1 1 21 21 ASP CA C 13 57.033 0.006 . 1 . . 1368 . . 421 ASP CA . 25368 1 52 . 1 1 21 21 ASP CB C 13 40.801 0.009 . 1 . . 1367 . . 421 ASP CB . 25368 1 53 . 1 1 21 21 ASP N N 15 120.729 0.011 . 1 . . 360 . . 421 ASP N . 25368 1 54 . 1 1 22 22 LYS H H 1 7.870 0.005 . 1 . . 409 . . 422 LYS H . 25368 1 55 . 1 1 22 22 LYS C C 13 179.006 0.065 . 1 . . 1101 . . 422 LYS C . 25368 1 56 . 1 1 22 22 LYS CA C 13 59.289 0.018 . 1 . . 1103 . . 422 LYS CA . 25368 1 57 . 1 1 22 22 LYS CB C 13 32.149 0.013 . 1 . . 1102 . . 422 LYS CB . 25368 1 58 . 1 1 22 22 LYS N N 15 120.534 0.024 . 1 . . 408 . . 422 LYS N . 25368 1 59 . 1 1 23 23 MET H H 1 8.567 0.003 . 1 . . 220 . . 423 MET H . 25368 1 60 . 1 1 23 23 MET C C 13 177.125 0.03 . 1 . . 1199 . . 423 MET C . 25368 1 61 . 1 1 23 23 MET CA C 13 58.539 0.012 . 1 . . 1198 . . 423 MET CA . 25368 1 62 . 1 1 23 23 MET CB C 13 31.814 0.054 . 1 . . 1445 . . 423 MET CB . 25368 1 63 . 1 1 23 23 MET N N 15 121.145 0.009 . 1 . . 219 . . 423 MET N . 25368 1 64 . 1 1 24 24 THR H H 1 8.305 0.003 . 1 . . 175 . . 424 THR H . 25368 1 65 . 1 1 24 24 THR C C 13 176.729 0.184 . 1 . . 1448 . . 424 THR C . 25368 1 66 . 1 1 24 24 THR CA C 13 66.372 0.01 . 1 . . 1446 . . 424 THR CA . 25368 1 67 . 1 1 24 24 THR CB C 13 68.668 0.016 . 1 . . 1447 . . 424 THR CB . 25368 1 68 . 1 1 24 24 THR N N 15 116.808 0.013 . 1 . . 176 . . 424 THR N . 25368 1 69 . 1 1 25 25 GLN H H 1 7.292 0.002 . 1 . . 495 . . 425 GLN H . 25368 1 70 . 1 1 25 25 GLN C C 13 178.053 0.102 . 1 . . 1476 . . 425 GLN C . 25368 1 71 . 1 1 25 25 GLN CA C 13 57.784 0.004 . 1 . . 1475 . . 425 GLN CA . 25368 1 72 . 1 1 25 25 GLN CB C 13 27.398 0.054 . 1 . . 1474 . . 425 GLN CB . 25368 1 73 . 1 1 25 25 GLN N N 15 118.802 0.006 . 1 . . 494 . . 425 GLN N . 25368 1 74 . 1 1 26 26 ALA H H 1 7.929 0.002 . 1 . . 291 . . 426 ALA H . 25368 1 75 . 1 1 26 26 ALA C C 13 178.729 0.031 . 1 . . 1129 . . 426 ALA C . 25368 1 76 . 1 1 26 26 ALA CA C 13 53.927 0.007 . 1 . . 1130 . . 426 ALA CA . 25368 1 77 . 1 1 26 26 ALA CB C 13 17.460 0.054 . 1 . . 1131 . . 426 ALA CB . 25368 1 78 . 1 1 26 26 ALA N N 15 123.121 0.024 . 1 . . 290 . . 426 ALA N . 25368 1 79 . 1 1 27 27 LEU H H 1 8.257 0.003 . 1 . . 173 . . 427 LEU H . 25368 1 80 . 1 1 27 27 LEU C C 13 179.568 0.084 . 1 . . 1349 . . 427 LEU C . 25368 1 81 . 1 1 27 27 LEU CA C 13 57.553 0.008 . 1 . . 1348 . . 427 LEU CA . 25368 1 82 . 1 1 27 27 LEU CB C 13 40.572 0.054 . 1 . . 1350 . . 427 LEU CB . 25368 1 83 . 1 1 27 27 LEU N N 15 116.013 0.007 . 1 . . 174 . . 427 LEU N . 25368 1 84 . 1 1 28 28 VAL H H 1 7.260 0.003 . 1 . . 493 . . 428 VAL H . 25368 1 85 . 1 1 28 28 VAL CA C 13 65.816 0.018 . 1 . . 1352 . . 428 VAL CA . 25368 1 86 . 1 1 28 28 VAL CB C 13 31.174 0.054 . 1 . . 1351 . . 428 VAL CB . 25368 1 87 . 1 1 28 28 VAL N N 15 119.272 0.012 . 1 . . 492 . . 428 VAL N . 25368 1 88 . 1 1 29 29 LYS H H 1 7.174 0.004 . 1 . . 483 . . 429 LYS H . 25368 1 89 . 1 1 29 29 LYS C C 13 179.628 0.107 . 1 . . 1354 . . 429 LYS C . 25368 1 90 . 1 1 29 29 LYS CA C 13 57.661 0.021 . 1 . . 1353 . . 429 LYS CA . 25368 1 91 . 1 1 29 29 LYS CB C 13 30.529 0.054 . 1 . . 1355 . . 429 LYS CB . 25368 1 92 . 1 1 29 29 LYS N N 15 120.057 0.009 . 1 . . 482 . . 429 LYS N . 25368 1 93 . 1 1 30 30 LEU H H 1 8.771 0.003 . 1 . . 204 . . 430 LEU H . 25368 1 94 . 1 1 30 30 LEU C C 13 179.249 0.092 . 1 . . 1459 . . 430 LEU C . 25368 1 95 . 1 1 30 30 LEU CA C 13 57.685 0.046 . 1 . . 1458 . . 430 LEU CA . 25368 1 96 . 1 1 30 30 LEU CB C 13 40.670 0.054 . 1 . . 1457 . . 430 LEU CB . 25368 1 97 . 1 1 30 30 LEU N N 15 119.725 0.015 . 1 . . 203 . . 430 LEU N . 25368 1 98 . 1 1 32 32 GLU H H 1 7.370 0.002 . 1 . . 481 . . 432 GLU H . 25368 1 99 . 1 1 32 32 GLU C C 13 177.920 0.092 . 1 . . 1538 . . 432 GLU C . 25368 1 100 . 1 1 32 32 GLU CA C 13 58.111 0.029 . 1 . . 1537 . . 432 GLU CA . 25368 1 101 . 1 1 32 32 GLU CB C 13 28.766 0.04 . 1 . . 1536 . . 432 GLU CB . 25368 1 102 . 1 1 32 32 GLU N N 15 118.457 0.007 . 1 . . 480 . . 432 GLU N . 25368 1 103 . 1 1 33 33 GLU H H 1 7.340 0.004 . 1 . . 503 . . 433 GLU H . 25368 1 104 . 1 1 33 33 GLU C C 13 176.629 0.044 . 1 . . 1331 . . 433 GLU C . 25368 1 105 . 1 1 33 33 GLU CA C 13 57.154 0.086 . 1 . . 1332 . . 433 GLU CA . 25368 1 106 . 1 1 33 33 GLU CB C 13 30.172 0.054 . 1 . . 1535 . . 433 GLU CB . 25368 1 107 . 1 1 33 33 GLU N N 15 116.596 0.021 . 1 . . 502 . . 433 GLU N . 25368 1 108 . 1 1 34 34 ASP H H 1 7.986 0.003 . 1 . . 451 . . 434 ASP H . 25368 1 109 . 1 1 34 34 ASP C C 13 173.399 0.092 . 1 . . 1549 . . 434 ASP C . 25368 1 110 . 1 1 34 34 ASP CA C 13 49.891 0.046 . 1 . . 1534 . . 434 ASP CA . 25368 1 111 . 1 1 34 34 ASP CB C 13 41.403 0.054 . 1 . . 1533 . . 434 ASP CB . 25368 1 112 . 1 1 34 34 ASP N N 15 118.103 0.011 . 1 . . 450 . . 434 ASP N . 25368 1 113 . 1 1 35 35 PRO C C 13 179.749 0.092 . 1 . . 1397 . . 435 PRO C . 25368 1 114 . 1 1 35 35 PRO CA C 13 65.032 0.046 . 1 . . 1398 . . 435 PRO CA . 25368 1 115 . 1 1 35 35 PRO CB C 13 29.886 0.054 . 1 . . 1399 . . 435 PRO CB . 25368 1 116 . 1 1 36 36 THR H H 1 7.329 0.003 . 1 . . 85 . . 436 THR H . 25368 1 117 . 1 1 36 36 THR C C 13 173.660 0.092 . 1 . . 1396 . . 436 THR C . 25368 1 118 . 1 1 36 36 THR CA C 13 61.995 0.003 . 1 . . 1195 . . 436 THR CA . 25368 1 119 . 1 1 36 36 THR N N 15 114.977 0.008 . 1 . . 86 . . 436 THR N . 25368 1 120 . 1 1 37 37 PHE H H 1 7.245 0.003 . 1 . . 329 . . 437 PHE H . 25368 1 121 . 1 1 37 37 PHE C C 13 173.524 0.042 . 1 . . 1393 . . 437 PHE C . 25368 1 122 . 1 1 37 37 PHE CA C 13 54.730 0.054 . 1 . . 1394 . . 437 PHE CA . 25368 1 123 . 1 1 37 37 PHE CB C 13 40.612 0.054 . 1 . . 1395 . . 437 PHE CB . 25368 1 124 . 1 1 37 37 PHE N N 15 121.032 0.011 . 1 . . 328 . . 437 PHE N . 25368 1 125 . 1 1 38 38 HIS H H 1 8.556 0.006 . 1 . . 253 . . 438 HIS H . 25368 1 126 . 1 1 38 38 HIS C C 13 173.197 0.014 . 1 . . 1390 . . 438 HIS C . 25368 1 127 . 1 1 38 38 HIS CA C 13 54.356 0.062 . 1 . . 1391 . . 438 HIS CA . 25368 1 128 . 1 1 38 38 HIS CB C 13 33.638 0.009 . 1 . . 1392 . . 438 HIS CB . 25368 1 129 . 1 1 38 38 HIS N N 15 123.886 0.013 . 1 . . 252 . . 438 HIS N . 25368 1 130 . 1 1 39 39 ALA H H 1 7.858 0.007 . 1 . . 279 . . 439 ALA H . 25368 1 131 . 1 1 39 39 ALA C C 13 175.343 0.071 . 1 . . 1196 . . 439 ALA C . 25368 1 132 . 1 1 39 39 ALA CA C 13 50.323 0.004 . 1 . . 1197 . . 439 ALA CA . 25368 1 133 . 1 1 39 39 ALA CB C 13 21.837 0.054 . 1 . . 1389 . . 439 ALA CB . 25368 1 134 . 1 1 39 39 ALA N N 15 124.829 0.008 . 1 . . 278 . . 439 ALA N . 25368 1 135 . 1 1 40 40 HIS H H 1 8.616 0.003 . 1 . . 222 . . 440 HIS H . 25368 1 136 . 1 1 40 40 HIS C C 13 173.338 0.092 . 1 . . 1388 . . 440 HIS C . 25368 1 137 . 1 1 40 40 HIS CA C 13 55.194 0.046 . 1 . . 1386 . . 440 HIS CA . 25368 1 138 . 1 1 40 40 HIS CB C 13 32.265 0.054 . 1 . . 1387 . . 440 HIS CB . 25368 1 139 . 1 1 40 40 HIS N N 15 121.428 0.015 . 1 . . 221 . . 440 HIS N . 25368 1 140 . 1 1 41 41 THR C C 13 173.451 0.092 . 1 . . 1385 . . 441 THR C . 25368 1 141 . 1 1 41 41 THR CA C 13 61.365 0.046 . 1 . . 1383 . . 441 THR CA . 25368 1 142 . 1 1 41 41 THR CB C 13 69.019 0.054 . 1 . . 1384 . . 441 THR CB . 25368 1 143 . 1 1 42 42 ASP H H 1 8.752 0.003 . 1 . . 162 . . 442 ASP H . 25368 1 144 . 1 1 42 42 ASP C C 13 176.631 0.039 . 1 . . 1098 . . 442 ASP C . 25368 1 145 . 1 1 42 42 ASP CA C 13 53.171 0.001 . 1 . . 1099 . . 442 ASP CA . 25368 1 146 . 1 1 42 42 ASP CB C 13 41.663 0.018 . 1 . . 1100 . . 442 ASP CB . 25368 1 147 . 1 1 42 42 ASP N N 15 128.105 0.014 . 1 . . 161 . . 442 ASP N . 25368 1 148 . 1 1 43 43 GLU H H 1 8.929 0.003 . 1 . . 164 . . 443 GLU H . 25368 1 149 . 1 1 43 43 GLU C C 13 177.518 0.108 . 1 . . 1068 . . 443 GLU C . 25368 1 150 . 1 1 43 43 GLU CA C 13 58.243 0.061 . 1 . . 1069 . . 443 GLU CA . 25368 1 151 . 1 1 43 43 GLU CB C 13 28.698 0.054 . 1 . . 1070 . . 443 GLU CB . 25368 1 152 . 1 1 43 43 GLU N N 15 128.004 0.011 . 1 . . 163 . . 443 GLU N . 25368 1 153 . 1 1 44 44 GLU H H 1 8.371 0.002 . 1 . . 395 . . 444 GLU H . 25368 1 154 . 1 1 44 44 GLU C C 13 178.264 0.07 . 1 . . 794 . . 444 GLU C . 25368 1 155 . 1 1 44 44 GLU CA C 13 58.036 0.064 . 1 . . 795 . . 444 GLU CA . 25368 1 156 . 1 1 44 44 GLU CB C 13 29.231 0.051 . 1 . . 998 . . 444 GLU CB . 25368 1 157 . 1 1 44 44 GLU N N 15 118.114 0.01 . 1 . . 394 . . 444 GLU N . 25368 1 158 . 1 1 45 45 THR H H 1 7.773 0.003 . 1 . . 16 . . 445 THR H . 25368 1 159 . 1 1 45 45 THR C C 13 176.626 0.069 . 1 . . 793 . . 445 THR C . 25368 1 160 . 1 1 45 45 THR CA C 13 61.280 0.053 . 1 . . 792 . . 445 THR CA . 25368 1 161 . 1 1 45 45 THR CB C 13 70.613 0.054 . 1 . . 1067 . . 445 THR CB . 25368 1 162 . 1 1 45 45 THR N N 15 106.873 0.014 . 1 . . 15 . . 445 THR N . 25368 1 163 . 1 1 46 46 GLY H H 1 8.266 0.003 . 1 . . 40 . . 446 GLY H . 25368 1 164 . 1 1 46 46 GLY C C 13 173.312 0.044 . 1 . . 1066 . . 446 GLY C . 25368 1 165 . 1 1 46 46 GLY CA C 13 44.852 0.003 . 1 . . 1065 . . 446 GLY CA . 25368 1 166 . 1 1 46 46 GLY N N 15 112.327 0.026 . 1 . . 39 . . 446 GLY N . 25368 1 167 . 1 1 47 47 GLN H H 1 7.592 0.002 . 1 . . 477 . . 447 GLN H . 25368 1 168 . 1 1 47 47 GLN C C 13 174.543 0.057 . 1 . . 816 . . 447 GLN C . 25368 1 169 . 1 1 47 47 GLN CA C 13 55.859 0.021 . 1 . . 817 . . 447 GLN CA . 25368 1 170 . 1 1 47 47 GLN CB C 13 29.173 0.094 . 1 . . 1061 . . 447 GLN CB . 25368 1 171 . 1 1 47 47 GLN N N 15 118.712 0.007 . 1 . . 476 . . 447 GLN N . 25368 1 172 . 1 1 48 48 VAL H H 1 8.624 0.003 . 1 . . 245 . . 448 VAL H . 25368 1 173 . 1 1 48 48 VAL C C 13 174.552 0.085 . 1 . . 815 . . 448 VAL C . 25368 1 174 . 1 1 48 48 VAL CA C 13 60.744 0.014 . 1 . . 814 . . 448 VAL CA . 25368 1 175 . 1 1 48 48 VAL CB C 13 32.896 0.14 . 1 . . 1064 . . 448 VAL CB . 25368 1 176 . 1 1 48 48 VAL N N 15 125.096 0.007 . 1 . . 244 . . 448 VAL N . 25368 1 177 . 1 1 49 49 ILE H H 1 8.788 0.003 . 1 . . 168 . . 449 ILE H . 25368 1 178 . 1 1 49 49 ILE C C 13 176.589 0.07 . 1 . . 812 . . 449 ILE C . 25368 1 179 . 1 1 49 49 ILE CA C 13 58.517 0.001 . 1 . . 813 . . 449 ILE CA . 25368 1 180 . 1 1 49 49 ILE CB C 13 37.571 0.133 . 1 . . 1059 . . 449 ILE CB . 25368 1 181 . 1 1 49 49 ILE N N 15 127.749 0.099 . 1 . . 167 . . 449 ILE N . 25368 1 182 . 1 1 50 50 ILE H H 1 9.128 0.004 . 1 . . 122 . . 450 ILE H . 25368 1 183 . 1 1 50 50 ILE C C 13 174.794 0.052 . 1 . . 1056 . . 450 ILE C . 25368 1 184 . 1 1 50 50 ILE CA C 13 58.514 0.014 . 1 . . 1057 . . 450 ILE CA . 25368 1 185 . 1 1 50 50 ILE CB C 13 38.991 0.054 . 1 . . 1060 . . 450 ILE CB . 25368 1 186 . 1 1 50 50 ILE N N 15 125.309 0.069 . 1 . . 121 . . 450 ILE N . 25368 1 187 . 1 1 51 51 GLY H H 1 9.110 0.006 . 1 . . 511 . . 451 GLY H . 25368 1 188 . 1 1 51 51 GLY C C 13 172.737 0.092 . 1 . . 1072 . . 451 GLY C . 25368 1 189 . 1 1 51 51 GLY CA C 13 44.013 0.018 . 1 . . 1058 . . 451 GLY CA . 25368 1 190 . 1 1 51 51 GLY N N 15 110.847 0.014 . 1 . . 510 . . 451 GLY N . 25368 1 191 . 1 1 52 52 GLY H H 1 8.412 0.005 . 1 . . 30 . . 452 GLY H . 25368 1 192 . 1 1 52 52 GLY CA C 13 44.245 0.046 . 1 . . 1071 . . 452 GLY CA . 25368 1 193 . 1 1 52 52 GLY N N 15 109.314 0.035 . 1 . . 29 . . 452 GLY N . 25368 1 194 . 1 1 55 55 GLU H H 1 8.053 0.002 . 1 . . 425 . . 455 GLU H . 25368 1 195 . 1 1 55 55 GLU C C 13 176.522 0.067 . 1 . . 1030 . . 455 GLU C . 25368 1 196 . 1 1 55 55 GLU CA C 13 55.919 0.004 . 1 . . 1029 . . 455 GLU CA . 25368 1 197 . 1 1 55 55 GLU CB C 13 29.549 0.054 . 1 . . 1485 . . 455 GLU CB . 25368 1 198 . 1 1 55 55 GLU N N 15 120.544 0.008 . 1 . . 424 . . 455 GLU N . 25368 1 199 . 1 1 56 56 LEU H H 1 7.999 0.002 . 1 . . 347 . . 456 LEU H . 25368 1 200 . 1 1 56 56 LEU C C 13 177.283 0.097 . 1 . . 921 . . 456 LEU C . 25368 1 201 . 1 1 56 56 LEU CA C 13 54.787 0.004 . 1 . . 923 . . 456 LEU CA . 25368 1 202 . 1 1 56 56 LEU CB C 13 41.272 0.043 . 1 . . 922 . . 456 LEU CB . 25368 1 203 . 1 1 56 56 LEU N N 15 122.438 0.006 . 1 . . 346 . . 456 LEU N . 25368 1 204 . 1 1 57 57 HIS H H 1 8.146 0.005 . 1 . . 357 . . 457 HIS H . 25368 1 205 . 1 1 57 57 HIS C C 13 176.076 0.092 . 1 . . 1488 . . 457 HIS C . 25368 1 206 . 1 1 57 57 HIS CA C 13 56.044 0.046 . 1 . . 1487 . . 457 HIS CA . 25368 1 207 . 1 1 57 57 HIS CB C 13 29.430 0.054 . 1 . . 1486 . . 457 HIS CB . 25368 1 208 . 1 1 57 57 HIS N N 15 121.368 0.007 . 1 . . 356 . . 457 HIS N . 25368 1 209 . 1 1 59 59 ASP H H 1 7.757 0.009 . 1 . . 273 . . 459 ASP H . 25368 1 210 . 1 1 59 59 ASP C C 13 179.604 0.083 . 1 . . 1436 . . 459 ASP C . 25368 1 211 . 1 1 59 59 ASP CA C 13 57.068 0.005 . 1 . . 1435 . . 459 ASP CA . 25368 1 212 . 1 1 59 59 ASP CB C 13 41.386 0.033 . 1 . . 1434 . . 459 ASP CB . 25368 1 213 . 1 1 59 59 ASP N N 15 126.344 0.014 . 1 . . 272 . . 459 ASP N . 25368 1 214 . 1 1 60 60 ILE H H 1 8.148 0.003 . 1 . . 363 . . 460 ILE H . 25368 1 215 . 1 1 60 60 ILE C C 13 178.649 0.092 . 1 . . 1440 . . 460 ILE C . 25368 1 216 . 1 1 60 60 ILE CA C 13 64.010 0.068 . 1 . . 1437 . . 460 ILE CA . 25368 1 217 . 1 1 60 60 ILE CB C 13 37.472 0.054 . 1 . . 1439 . . 460 ILE CB . 25368 1 218 . 1 1 60 60 ILE N N 15 120.792 0.008 . 1 . . 362 . . 460 ILE N . 25368 1 219 . 1 1 61 61 LEU H H 1 7.331 0.003 . 1 . . 327 . . 461 LEU H . 25368 1 220 . 1 1 61 61 LEU C C 13 178.824 0.107 . 1 . . 1429 . . 461 LEU C . 25368 1 221 . 1 1 61 61 LEU CA C 13 57.853 0.014 . 1 . . 1430 . . 461 LEU CA . 25368 1 222 . 1 1 61 61 LEU CB C 13 40.750 0.072 . 1 . . 1428 . . 461 LEU CB . 25368 1 223 . 1 1 61 61 LEU N N 15 121.880 0.008 . 1 . . 326 . . 461 LEU N . 25368 1 224 . 1 1 62 62 VAL H H 1 8.289 0.004 . 1 . . 381 . . 462 VAL H . 25368 1 225 . 1 1 62 62 VAL C C 13 178.053 0.107 . 1 . . 1296 . . 462 VAL C . 25368 1 226 . 1 1 62 62 VAL CA C 13 66.246 0.044 . 1 . . 1295 . . 462 VAL CA . 25368 1 227 . 1 1 62 62 VAL CB C 13 30.085 0.09 . 1 . . 1438 . . 462 VAL CB . 25368 1 228 . 1 1 62 62 VAL N N 15 119.292 0.007 . 1 . . 380 . . 462 VAL N . 25368 1 229 . 1 1 63 63 ASP H H 1 8.016 0.004 . 1 . . 428 . . 463 ASP H . 25368 1 230 . 1 1 63 63 ASP C C 13 178.565 0.115 . 1 . . 1433 . . 463 ASP C . 25368 1 231 . 1 1 63 63 ASP CA C 13 57.355 0.056 . 1 . . 1431 . . 463 ASP CA . 25368 1 232 . 1 1 63 63 ASP CB C 13 41.163 0.016 . 1 . . 1432 . . 463 ASP CB . 25368 1 233 . 1 1 63 63 ASP N N 15 120.798 0.008 . 1 . . 429 . . 463 ASP N . 25368 1 234 . 1 1 64 64 ARG H H 1 8.306 0.002 . 1 . . 439 . . 464 ARG H . 25368 1 235 . 1 1 64 64 ARG C C 13 179.778 0.101 . 1 . . 1124 . . 464 ARG C . 25368 1 236 . 1 1 64 64 ARG CA C 13 59.743 0.035 . 1 . . 1125 . . 464 ARG CA . 25368 1 237 . 1 1 64 64 ARG CB C 13 29.351 0.054 . 1 . . 1327 . . 464 ARG CB . 25368 1 238 . 1 1 64 64 ARG N N 15 118.451 0.008 . 1 . . 438 . . 464 ARG N . 25368 1 239 . 1 1 65 65 MET H H 1 8.322 0.003 . 1 . . 375 . . 465 MET H . 25368 1 240 . 1 1 65 65 MET C C 13 177.490 0.083 . 1 . . 1167 . . 465 MET C . 25368 1 241 . 1 1 65 65 MET CA C 13 60.186 0.015 . 1 . . 1168 . . 465 MET CA . 25368 1 242 . 1 1 65 65 MET CB C 13 32.009 0.054 . 1 . . 1539 . . 465 MET CB . 25368 1 243 . 1 1 65 65 MET N N 15 119.763 0.01 . 1 . . 374 . . 465 MET N . 25368 1 244 . 1 1 66 66 LYS H H 1 7.932 0.003 . 1 . . 457 . . 466 LYS H . 25368 1 245 . 1 1 66 66 LYS C C 13 178.963 0.092 . 1 . . 1560 . . 466 LYS C . 25368 1 246 . 1 1 66 66 LYS CA C 13 58.960 0.046 . 1 . . 1559 . . 466 LYS CA . 25368 1 247 . 1 1 66 66 LYS N N 15 117.392 0.008 . 1 . . 456 . . 466 LYS N . 25368 1 248 . 1 1 67 67 LYS H H 1 8.627 0.003 . 1 . . 179 . . 467 LYS H . 25368 1 249 . 1 1 67 67 LYS C C 13 178.035 0.09 . 1 . . 1108 . . 467 LYS C . 25368 1 250 . 1 1 67 67 LYS CA C 13 58.238 0.054 . 1 . . 1109 . . 467 LYS CA . 25368 1 251 . 1 1 67 67 LYS N N 15 117.563 0.022 . 1 . . 180 . . 467 LYS N . 25368 1 252 . 1 1 68 68 GLU H H 1 8.585 0.002 . 1 . . 193 . . 468 GLU H . 25368 1 253 . 1 1 68 68 GLU C C 13 177.562 0.071 . 1 . . 1278 . . 468 GLU C . 25368 1 254 . 1 1 68 68 GLU CA C 13 56.981 0.053 . 1 . . 1279 . . 468 GLU CA . 25368 1 255 . 1 1 68 68 GLU CB C 13 28.712 0.026 . 1 . . 1466 . . 468 GLU CB . 25368 1 256 . 1 1 68 68 GLU N N 15 118.525 0.009 . 1 . . 194 . . 468 GLU N . 25368 1 257 . 1 1 69 69 PHE H H 1 6.998 0.003 . 1 . . 66 . . 469 PHE H . 25368 1 258 . 1 1 69 69 PHE C C 13 174.779 0.055 . 1 . . 1318 . . 469 PHE C . 25368 1 259 . 1 1 69 69 PHE CA C 13 57.254 0.028 . 1 . . 1319 . . 469 PHE CA . 25368 1 260 . 1 1 69 69 PHE N N 15 113.279 0.009 . 1 . . 65 . . 469 PHE N . 25368 1 261 . 1 1 70 70 ASN H H 1 6.986 0.005 . 1 . . 88 . . 470 ASN H . 25368 1 262 . 1 1 70 70 ASN C C 13 173.567 0.016 . 1 . . 901 . . 470 ASN C . 25368 1 263 . 1 1 70 70 ASN CA C 13 54.001 0.046 . 1 . . 902 . . 470 ASN CA . 25368 1 264 . 1 1 70 70 ASN CB C 13 36.458 0.054 . 1 . . 1467 . . 470 ASN CB . 25368 1 265 . 1 1 70 70 ASN N N 15 114.590 0.017 . 1 . . 87 . . 470 ASN N . 25368 1 266 . 1 1 71 71 VAL H H 1 7.959 0.002 . 1 . . 433 . . 471 VAL H . 25368 1 267 . 1 1 71 71 VAL C C 13 175.392 0.08 . 1 . . 899 . . 471 VAL C . 25368 1 268 . 1 1 71 71 VAL CA C 13 62.272 0.003 . 1 . . 900 . . 471 VAL CA . 25368 1 269 . 1 1 71 71 VAL CB C 13 32.184 0.054 . 1 . . 1468 . . 471 VAL CB . 25368 1 270 . 1 1 71 71 VAL N N 15 119.049 0.008 . 1 . . 432 . . 471 VAL N . 25368 1 271 . 1 1 72 72 GLU H H 1 8.614 0.003 . 1 . . 155 . . 472 GLU H . 25368 1 272 . 1 1 72 72 GLU C C 13 175.757 0.092 . 1 . . 1471 . . 472 GLU C . 25368 1 273 . 1 1 72 72 GLU CA C 13 54.986 0.046 . 1 . . 1470 . . 472 GLU CA . 25368 1 274 . 1 1 72 72 GLU CB C 13 28.324 0.054 . 1 . . 1469 . . 472 GLU CB . 25368 1 275 . 1 1 72 72 GLU N N 15 129.313 0.013 . 1 . . 156 . . 472 GLU N . 25368 1 276 . 1 1 75 75 VAL C C 13 176.380 0.092 . 1 . . 1121 . . 475 VAL C . 25368 1 277 . 1 1 75 75 VAL CA C 13 60.690 0.046 . 1 . . 1122 . . 475 VAL CA . 25368 1 278 . 1 1 75 75 VAL CB C 13 33.722 0.054 . 1 . . 1123 . . 475 VAL CB . 25368 1 279 . 1 1 76 76 GLY H H 1 8.606 0.002 . 1 . . 70 . . 476 GLY H . 25368 1 280 . 1 1 76 76 GLY C C 13 171.590 0.092 . 1 . . 1120 . . 476 GLY C . 25368 1 281 . 1 1 76 76 GLY CA C 13 43.607 0.017 . 1 . . 1116 . . 476 GLY CA . 25368 1 282 . 1 1 76 76 GLY N N 15 115.011 0.026 . 1 . . 69 . . 476 GLY N . 25368 1 283 . 1 1 77 77 ALA H H 1 7.918 0.003 . 1 . . 351 . . 477 ALA H . 25368 1 284 . 1 1 77 77 ALA C C 13 176.069 0.092 . 1 . . 1119 . . 477 ALA C . 25368 1 285 . 1 1 77 77 ALA CA C 13 49.005 0.046 . 1 . . 1118 . . 477 ALA CA . 25368 1 286 . 1 1 77 77 ALA CB C 13 16.955 0.054 . 1 . . 1117 . . 477 ALA CB . 25368 1 287 . 1 1 77 77 ALA N N 15 121.445 0.008 . 1 . . 350 . . 477 ALA N . 25368 1 288 . 1 1 81 81 SER C C 13 173.714 0.092 . 1 . . 994 . . 481 SER C . 25368 1 289 . 1 1 81 81 SER CA C 13 56.127 0.046 . 1 . . 992 . . 481 SER CA . 25368 1 290 . 1 1 81 81 SER CB C 13 62.445 0.054 . 1 . . 993 . . 481 SER CB . 25368 1 291 . 1 1 82 82 TYR H H 1 6.468 0.005 . 1 . . 92 . . 482 TYR H . 25368 1 292 . 1 1 82 82 TYR C C 13 174.507 0.042 . 1 . . 991 . . 482 TYR C . 25368 1 293 . 1 1 82 82 TYR CA C 13 58.928 0.02 . 1 . . 990 . . 482 TYR CA . 25368 1 294 . 1 1 82 82 TYR CB C 13 38.149 0.048 . 1 . . 989 . . 482 TYR CB . 25368 1 295 . 1 1 82 82 TYR N N 15 124.441 0.07 . 1 . . 91 . . 482 TYR N . 25368 1 296 . 1 1 83 83 ARG H H 1 8.515 0.003 . 1 . . 198 . . 483 ARG H . 25368 1 297 . 1 1 83 83 ARG C C 13 173.321 0.015 . 1 . . 897 . . 483 ARG C . 25368 1 298 . 1 1 83 83 ARG CA C 13 52.254 0.048 . 1 . . 896 . . 483 ARG CA . 25368 1 299 . 1 1 83 83 ARG CB C 13 34.884 0.024 . 1 . . 988 . . 483 ARG CB . 25368 1 300 . 1 1 83 83 ARG N N 15 119.313 0.013 . 1 . . 197 . . 483 ARG N . 25368 1 301 . 1 1 84 84 GLU H H 1 8.647 0.002 . 1 . . 216 . . 484 GLU H . 25368 1 302 . 1 1 84 84 GLU C C 13 175.793 0.02 . 1 . . 887 . . 484 GLU C . 25368 1 303 . 1 1 84 84 GLU CA C 13 53.944 0.019 . 1 . . 888 . . 484 GLU CA . 25368 1 304 . 1 1 84 84 GLU CB C 13 33.213 0.131 . 1 . . 898 . . 484 GLU CB . 25368 1 305 . 1 1 84 84 GLU N N 15 120.500 0.01 . 1 . . 215 . . 484 GLU N . 25368 1 306 . 1 1 85 85 THR H H 1 8.431 0.003 . 1 . . 35 . . 485 THR H . 25368 1 307 . 1 1 85 85 THR C C 13 172.779 0.002 . 1 . . 810 . . 485 THR C . 25368 1 308 . 1 1 85 85 THR CA C 13 61.470 0.032 . 1 . . 811 . . 485 THR CA . 25368 1 309 . 1 1 85 85 THR CB C 13 69.401 0.288 . 1 . . 895 . . 485 THR CB . 25368 1 310 . 1 1 85 85 THR N N 15 112.197 0.013 . 1 . . 36 . . 485 THR N . 25368 1 311 . 1 1 86 86 PHE H H 1 7.684 0.002 . 1 . . 467 . . 486 PHE H . 25368 1 312 . 1 1 86 86 PHE C C 13 175.738 0.056 . 1 . . 808 . . 486 PHE C . 25368 1 313 . 1 1 86 86 PHE CA C 13 52.345 0.02 . 1 . . 809 . . 486 PHE CA . 25368 1 314 . 1 1 86 86 PHE CB C 13 40.582 0.007 . 1 . . 894 . . 486 PHE CB . 25368 1 315 . 1 1 86 86 PHE N N 15 118.303 0.008 . 1 . . 466 . . 486 PHE N . 25368 1 316 . 1 1 87 87 LYS H H 1 7.852 0.003 . 1 . . 458 . . 487 LYS H . 25368 1 317 . 1 1 87 87 LYS C C 13 176.804 0.088 . 1 . . 886 . . 487 LYS C . 25368 1 318 . 1 1 87 87 LYS CA C 13 55.599 0.026 . 1 . . 885 . . 487 LYS CA . 25368 1 319 . 1 1 87 87 LYS CB C 13 31.783 0.002 . 1 . . 893 . . 487 LYS CB . 25368 1 320 . 1 1 87 87 LYS N N 15 116.912 0.007 . 1 . . 459 . . 487 LYS N . 25368 1 321 . 1 1 88 88 SER H H 1 8.229 0.003 . 1 . . 445 . . 488 SER H . 25368 1 322 . 1 1 88 88 SER C C 13 171.061 0.052 . 1 . . 1038 . . 488 SER C . 25368 1 323 . 1 1 88 88 SER CA C 13 56.388 0.013 . 1 . . 889 . . 488 SER CA . 25368 1 324 . 1 1 88 88 SER CB C 13 65.690 0.16 . 1 . . 891 . . 488 SER CB . 25368 1 325 . 1 1 88 88 SER N N 15 117.917 0.019 . 1 . . 444 . . 488 SER N . 25368 1 326 . 1 1 89 89 SER H H 1 8.011 0.002 . 1 . . 46 . . 489 SER H . 25368 1 327 . 1 1 89 89 SER C C 13 174.724 0.01 . 1 . . 1039 . . 489 SER C . 25368 1 328 . 1 1 89 89 SER CA C 13 56.145 0.021 . 1 . . 1041 . . 489 SER CA . 25368 1 329 . 1 1 89 89 SER CB C 13 66.484 0.345 . 1 . . 1040 . . 489 SER CB . 25368 1 330 . 1 1 89 89 SER N N 15 113.790 0.024 . 1 . . 45 . . 489 SER N . 25368 1 331 . 1 1 90 90 ALA H H 1 8.496 0.002 . 1 . . 265 . . 490 ALA H . 25368 1 332 . 1 1 90 90 ALA C C 13 175.401 0.038 . 1 . . 1045 . . 490 ALA C . 25368 1 333 . 1 1 90 90 ALA CA C 13 52.307 0.027 . 1 . . 1044 . . 490 ALA CA . 25368 1 334 . 1 1 90 90 ALA CB C 13 23.053 0.054 . 1 . . 1043 . . 490 ALA CB . 25368 1 335 . 1 1 90 90 ALA N N 15 121.795 0.009 . 1 . . 264 . . 490 ALA N . 25368 1 336 . 1 1 91 91 GLN H H 1 8.348 0.003 . 1 . . 373 . . 491 GLN H . 25368 1 337 . 1 1 91 91 GLN C C 13 175.583 0.058 . 1 . . 788 . . 491 GLN C . 25368 1 338 . 1 1 91 91 GLN CA C 13 54.816 0.013 . 1 . . 789 . . 491 GLN CA . 25368 1 339 . 1 1 91 91 GLN CB C 13 28.484 0.188 . 1 . . 1046 . . 491 GLN CB . 25368 1 340 . 1 1 91 91 GLN N N 15 119.960 0.008 . 1 . . 372 . . 491 GLN N . 25368 1 341 . 1 1 92 92 VAL H H 1 8.961 0.003 . 1 . . 76 . . 492 VAL H . 25368 1 342 . 1 1 92 92 VAL C C 13 172.756 0.018 . 1 . . 786 . . 492 VAL C . 25368 1 343 . 1 1 92 92 VAL CA C 13 58.875 0.008 . 1 . . 787 . . 492 VAL CA . 25368 1 344 . 1 1 92 92 VAL CB C 13 35.537 0.058 . 1 . . 1047 . . 492 VAL CB . 25368 1 345 . 1 1 92 92 VAL N N 15 116.726 0.023 . 1 . . 75 . . 492 VAL N . 25368 1 346 . 1 1 93 93 GLN H H 1 8.229 0.003 . 1 . . 336 . . 493 GLN H . 25368 1 347 . 1 1 93 93 GLN C C 13 175.598 0.07 . 1 . . 784 . . 493 GLN C . 25368 1 348 . 1 1 93 93 GLN CA C 13 52.666 0.052 . 1 . . 785 . . 493 GLN CA . 25368 1 349 . 1 1 93 93 GLN CB C 13 29.969 0.026 . 1 . . 1048 . . 493 GLN CB . 25368 1 350 . 1 1 93 93 GLN N N 15 122.109 0.008 . 1 . . 337 . . 493 GLN N . 25368 1 351 . 1 1 94 94 GLY H H 1 8.976 0.001 . 1 . . 50 . . 494 GLY H . 25368 1 352 . 1 1 94 94 GLY C C 13 170.457 0.017 . 1 . . 1050 . . 494 GLY C . 25368 1 353 . 1 1 94 94 GLY CA C 13 44.333 0.018 . 1 . . 1049 . . 494 GLY CA . 25368 1 354 . 1 1 94 94 GLY N N 15 113.649 0.01 . 1 . . 49 . . 494 GLY N . 25368 1 355 . 1 1 95 95 LYS H H 1 8.416 0.002 . 1 . . 257 . . 495 LYS H . 25368 1 356 . 1 1 95 95 LYS C C 13 173.328 0.053 . 1 . . 798 . . 495 LYS C . 25368 1 357 . 1 1 95 95 LYS CA C 13 54.425 0.011 . 1 . . 799 . . 495 LYS CA . 25368 1 358 . 1 1 95 95 LYS CB C 13 33.436 0.115 . 1 . . 1254 . . 495 LYS CB . 25368 1 359 . 1 1 95 95 LYS N N 15 126.488 0.011 . 1 . . 256 . . 495 LYS N . 25368 1 360 . 1 1 96 96 PHE H H 1 8.755 0.003 . 1 . . 160 . . 496 PHE H . 25368 1 361 . 1 1 96 96 PHE C C 13 172.251 0.028 . 1 . . 1226 . . 496 PHE C . 25368 1 362 . 1 1 96 96 PHE CA C 13 54.793 0.02 . 1 . . 1227 . . 496 PHE CA . 25368 1 363 . 1 1 96 96 PHE CB C 13 41.373 0.196 . 1 . . 1255 . . 496 PHE CB . 25368 1 364 . 1 1 96 96 PHE N N 15 128.519 0.019 . 1 . . 159 . . 496 PHE N . 25368 1 365 . 1 1 97 97 SER H H 1 7.885 0.002 . 1 . . 411 . . 497 SER H . 25368 1 366 . 1 1 97 97 SER C C 13 173.104 0.003 . 1 . . 1112 . . 497 SER C . 25368 1 367 . 1 1 97 97 SER CA C 13 55.101 0.051 . 1 . . 1111 . . 497 SER CA . 25368 1 368 . 1 1 97 97 SER CB C 13 63.741 0.077 . 1 . . 1110 . . 497 SER CB . 25368 1 369 . 1 1 97 97 SER N N 15 120.237 0.007 . 1 . . 410 . . 497 SER N . 25368 1 370 . 1 1 98 98 ARG H H 1 7.832 0.003 . 1 . . 277 . . 498 ARG H . 25368 1 371 . 1 1 98 98 ARG C C 13 174.222 0.092 . 1 . . 1256 . . 498 ARG C . 25368 1 372 . 1 1 98 98 ARG CA C 13 54.396 0.046 . 1 . . 1257 . . 498 ARG CA . 25368 1 373 . 1 1 98 98 ARG CB C 13 32.465 0.054 . 1 . . 1258 . . 498 ARG CB . 25368 1 374 . 1 1 98 98 ARG N N 15 125.149 0.017 . 1 . . 276 . . 498 ARG N . 25368 1 375 . 1 1 102 102 GLY C C 13 173.376 0.092 . 1 . . 987 . . 502 GLY C . 25368 1 376 . 1 1 102 102 GLY CA C 13 44.478 0.046 . 1 . . 986 . . 502 GLY CA . 25368 1 377 . 1 1 103 103 ARG H H 1 7.572 0.002 . 1 . . 473 . . 503 ARG H . 25368 1 378 . 1 1 103 103 ARG C C 13 175.005 0.04 . 1 . . 778 . . 503 ARG C . 25368 1 379 . 1 1 103 103 ARG CA C 13 54.188 0.015 . 1 . . 779 . . 503 ARG CA . 25368 1 380 . 1 1 103 103 ARG CB C 13 31.292 0.054 . 1 . . 985 . . 503 ARG CB . 25368 1 381 . 1 1 103 103 ARG N N 15 119.620 0.01 . 1 . . 472 . . 503 ARG N . 25368 1 382 . 1 1 104 104 GLY H H 1 8.392 0.002 . 1 . . 33 . . 504 GLY H . 25368 1 383 . 1 1 104 104 GLY C C 13 172.795 0.037 . 1 . . 982 . . 504 GLY C . 25368 1 384 . 1 1 104 104 GLY CA C 13 44.404 0.017 . 1 . . 981 . . 504 GLY CA . 25368 1 385 . 1 1 104 104 GLY N N 15 111.589 0.026 . 1 . . 34 . . 504 GLY N . 25368 1 386 . 1 1 105 105 GLN H H 1 8.026 0.002 . 1 . . 448 . . 505 GLN H . 25368 1 387 . 1 1 105 105 GLN C C 13 175.788 0.012 . 1 . . 978 . . 505 GLN C . 25368 1 388 . 1 1 105 105 GLN CA C 13 54.113 0.012 . 1 . . 980 . . 505 GLN CA . 25368 1 389 . 1 1 105 105 GLN CB C 13 32.206 0.059 . 1 . . 979 . . 505 GLN CB . 25368 1 390 . 1 1 105 105 GLN N N 15 118.124 0.009 . 1 . . 449 . . 505 GLN N . 25368 1 391 . 1 1 106 106 TYR H H 1 7.079 0.003 . 1 . . 323 . . 506 TYR H . 25368 1 392 . 1 1 106 106 TYR C C 13 174.799 0.058 . 1 . . 976 . . 506 TYR C . 25368 1 393 . 1 1 106 106 TYR CA C 13 57.072 0.02 . 1 . . 977 . . 506 TYR CA . 25368 1 394 . 1 1 106 106 TYR CB C 13 41.500 0.032 . 1 . . 975 . . 506 TYR CB . 25368 1 395 . 1 1 106 106 TYR N N 15 122.125 0.007 . 1 . . 322 . . 506 TYR N . 25368 1 396 . 1 1 107 107 GLY H H 1 8.505 0.002 . 1 . . 195 . . 507 GLY H . 25368 1 397 . 1 1 107 107 GLY C C 13 169.238 0.092 . 1 . . 1159 . . 507 GLY C . 25368 1 398 . 1 1 107 107 GLY CA C 13 43.823 0.013 . 1 . . 983 . . 507 GLY CA . 25368 1 399 . 1 1 107 107 GLY N N 15 119.171 0.009 . 1 . . 196 . . 507 GLY N . 25368 1 400 . 1 1 108 108 ASP H H 1 6.128 0.003 . 1 . . 89 . . 508 ASP H . 25368 1 401 . 1 1 108 108 ASP C C 13 174.190 0.023 . 1 . . 828 . . 508 ASP C . 25368 1 402 . 1 1 108 108 ASP CA C 13 53.404 0.035 . 1 . . 829 . . 508 ASP CA . 25368 1 403 . 1 1 108 108 ASP CB C 13 42.093 0.054 . 1 . . 1153 . . 508 ASP CB . 25368 1 404 . 1 1 108 108 ASP N N 15 124.319 0.024 . 1 . . 90 . . 508 ASP N . 25368 1 405 . 1 1 109 109 VAL H H 1 8.722 0.002 . 1 . . 74 . . 509 VAL H . 25368 1 406 . 1 1 109 109 VAL C C 13 172.994 0.092 . 1 . . 826 . . 509 VAL C . 25368 1 407 . 1 1 109 109 VAL CA C 13 57.811 0.003 . 1 . . 827 . . 509 VAL CA . 25368 1 408 . 1 1 109 109 VAL CB C 13 34.884 0.06 . 1 . . 1154 . . 509 VAL CB . 25368 1 409 . 1 1 109 109 VAL N N 15 116.289 0.009 . 1 . . 73 . . 509 VAL N . 25368 1 410 . 1 1 110 110 HIS H H 1 8.073 0.002 . 1 . . 343 . . 510 HIS H . 25368 1 411 . 1 1 110 110 HIS C C 13 174.354 0.028 . 1 . . 824 . . 510 HIS C . 25368 1 412 . 1 1 110 110 HIS CA C 13 54.566 0.015 . 1 . . 825 . . 510 HIS CA . 25368 1 413 . 1 1 110 110 HIS CB C 13 30.172 0.054 . 1 . . 1155 . . 510 HIS CB . 25368 1 414 . 1 1 110 110 HIS N N 15 122.474 0.008 . 1 . . 342 . . 510 HIS N . 25368 1 415 . 1 1 111 111 ILE H H 1 9.039 0.002 . 1 . . 171 . . 511 ILE H . 25368 1 416 . 1 1 111 111 ILE C C 13 174.075 0.003 . 1 . . 1145 . . 511 ILE C . 25368 1 417 . 1 1 111 111 ILE CA C 13 57.797 0.046 . 1 . . 1144 . . 511 ILE CA . 25368 1 418 . 1 1 111 111 ILE CB C 13 41.739 0.054 . 1 . . 1156 . . 511 ILE CB . 25368 1 419 . 1 1 111 111 ILE N N 15 122.385 0.006 . 1 . . 172 . . 511 ILE N . 25368 1 420 . 1 1 112 112 GLU H H 1 9.280 0.002 . 1 . . 112 . . 512 GLU H . 25368 1 421 . 1 1 112 112 GLU C C 13 175.866 0.064 . 1 . . 848 . . 512 GLU C . 25368 1 422 . 1 1 112 112 GLU CA C 13 53.471 0.011 . 1 . . 849 . . 512 GLU CA . 25368 1 423 . 1 1 112 112 GLU N N 15 127.750 0.024 . 1 . . 111 . . 512 GLU N . 25368 1 424 . 1 1 113 113 PHE H H 1 9.254 0.005 . 1 . . 143 . . 513 PHE H . 25368 1 425 . 1 1 113 113 PHE C C 13 175.135 0.028 . 1 . . 851 . . 513 PHE C . 25368 1 426 . 1 1 113 113 PHE CA C 13 56.777 0.041 . 1 . . 850 . . 513 PHE CA . 25368 1 427 . 1 1 113 113 PHE CB C 13 42.287 0.111 . 1 . . 1157 . . 513 PHE CB . 25368 1 428 . 1 1 113 113 PHE N N 15 130.155 0.01 . 1 . . 144 . . 513 PHE N . 25368 1 429 . 1 1 114 114 THR H H 1 9.023 0.003 . 1 . . 72 . . 514 THR H . 25368 1 430 . 1 1 114 114 THR C C 13 171.477 0.092 . 1 . . 1161 . . 514 THR C . 25368 1 431 . 1 1 114 114 THR CA C 13 58.421 0.046 . 1 . . 1160 . . 514 THR CA . 25368 1 432 . 1 1 114 114 THR CB C 13 72.530 0.054 . 1 . . 1158 . . 514 THR CB . 25368 1 433 . 1 1 114 114 THR N N 15 116.182 0.007 . 1 . . 71 . . 514 THR N . 25368 1 434 . 1 1 115 115 PRO C C 13 176.473 0.092 . 1 . . 1081 . . 515 PRO C . 25368 1 435 . 1 1 115 115 PRO CA C 13 63.317 0.046 . 1 . . 1079 . . 515 PRO CA . 25368 1 436 . 1 1 115 115 PRO CB C 13 31.181 0.054 . 1 . . 1080 . . 515 PRO CB . 25368 1 437 . 1 1 116 116 ASN H H 1 8.562 0.003 . 1 . . 239 . . 516 ASN H . 25368 1 438 . 1 1 116 116 ASN C C 13 175.296 0.019 . 1 . . 928 . . 516 ASN C . 25368 1 439 . 1 1 116 116 ASN CA C 13 47.944 0.003 . 1 . . 927 . . 516 ASN CA . 25368 1 440 . 1 1 116 116 ASN CB C 13 39.294 0.038 . 1 . . 929 . . 516 ASN CB . 25368 1 441 . 1 1 116 116 ASN N N 15 123.253 0.007 . 1 . . 238 . . 516 ASN N . 25368 1 442 . 1 1 117 117 GLU H H 1 7.737 0.003 . 1 . . 405 . . 517 GLU H . 25368 1 443 . 1 1 117 117 GLU C C 13 175.726 0.081 . 1 . . 999 . . 517 GLU C . 25368 1 444 . 1 1 117 117 GLU CA C 13 55.771 0.025 . 1 . . 1000 . . 517 GLU CA . 25368 1 445 . 1 1 117 117 GLU CB C 13 29.367 0.043 . 1 . . 1001 . . 517 GLU CB . 25368 1 446 . 1 1 117 117 GLU N N 15 120.892 0.007 . 1 . . 404 . . 517 GLU N . 25368 1 447 . 1 1 118 118 THR H H 1 8.252 0.003 . 1 . . 377 . . 518 THR H . 25368 1 448 . 1 1 118 118 THR C C 13 176.604 0.044 . 1 . . 881 . . 518 THR C . 25368 1 449 . 1 1 118 118 THR CA C 13 63.856 0.02 . 1 . . 882 . . 518 THR CA . 25368 1 450 . 1 1 118 118 THR CB C 13 68.676 0.024 . 1 . . 1078 . . 518 THR CB . 25368 1 451 . 1 1 118 118 THR N N 15 119.902 0.007 . 1 . . 376 . . 518 THR N . 25368 1 452 . 1 1 119 119 GLY H H 1 9.708 0.004 . 1 . . 106 . . 519 GLY H . 25368 1 453 . 1 1 119 119 GLY C C 13 174.724 0.092 . 1 . . 1077 . . 519 GLY C . 25368 1 454 . 1 1 119 119 GLY CA C 13 44.900 0.022 . 1 . . 1076 . . 519 GLY CA . 25368 1 455 . 1 1 119 119 GLY N N 15 118.929 0.021 . 1 . . 105 . . 519 GLY N . 25368 1 456 . 1 1 120 120 ALA H H 1 8.154 0.003 . 1 . . 303 . . 520 ALA H . 25368 1 457 . 1 1 120 120 ALA C C 13 178.577 0.115 . 1 . . 1075 . . 520 ALA C . 25368 1 458 . 1 1 120 120 ALA CA C 13 52.533 0.025 . 1 . . 1074 . . 520 ALA CA . 25368 1 459 . 1 1 120 120 ALA CB C 13 19.495 0.328 . 1 . . 1073 . . 520 ALA CB . 25368 1 460 . 1 1 120 120 ALA N N 15 123.614 0.009 . 1 . . 302 . . 520 ALA N . 25368 1 461 . 1 1 121 121 GLY H H 1 8.688 0.002 . 1 . . 27 . . 521 GLY H . 25368 1 462 . 1 1 121 121 GLY C C 13 173.442 0.092 . 1 . . 1095 . . 521 GLY C . 25368 1 463 . 1 1 121 121 GLY CA C 13 44.700 0.024 . 1 . . 1094 . . 521 GLY CA . 25368 1 464 . 1 1 121 121 GLY N N 15 108.386 0.024 . 1 . . 28 . . 521 GLY N . 25368 1 465 . 1 1 122 122 PHE H H 1 8.462 0.003 . 1 . . 261 . . 522 PHE H . 25368 1 466 . 1 1 122 122 PHE C C 13 175.753 0.043 . 1 . . 790 . . 522 PHE C . 25368 1 467 . 1 1 122 122 PHE CA C 13 55.470 0.047 . 1 . . 791 . . 522 PHE CA . 25368 1 468 . 1 1 122 122 PHE CB C 13 39.791 0.144 . 1 . . 1093 . . 522 PHE CB . 25368 1 469 . 1 1 122 122 PHE N N 15 122.821 0.006 . 1 . . 260 . . 522 PHE N . 25368 1 470 . 1 1 123 123 GLU H H 1 7.090 0.003 . 1 . . 96 . . 523 GLU H . 25368 1 471 . 1 1 123 123 GLU C C 13 172.065 0.015 . 1 . . 800 . . 523 GLU C . 25368 1 472 . 1 1 123 123 GLU CA C 13 54.386 0.011 . 1 . . 801 . . 523 GLU CA . 25368 1 473 . 1 1 123 123 GLU CB C 13 33.186 0.032 . 1 . . 917 . . 523 GLU CB . 25368 1 474 . 1 1 123 123 GLU N N 15 128.157 0.021 . 1 . . 95 . . 523 GLU N . 25368 1 475 . 1 1 124 124 PHE H H 1 8.448 0.003 . 1 . . 255 . . 524 PHE H . 25368 1 476 . 1 1 124 124 PHE C C 13 173.642 0.012 . 1 . . 1019 . . 524 PHE C . 25368 1 477 . 1 1 124 124 PHE CA C 13 55.208 0.026 . 1 . . 1018 . . 524 PHE CA . 25368 1 478 . 1 1 124 124 PHE CB C 13 41.287 0.086 . 1 . . 1017 . . 524 PHE CB . 25368 1 479 . 1 1 124 124 PHE N N 15 125.760 0.01 . 1 . . 254 . . 524 PHE N . 25368 1 480 . 1 1 125 125 GLU H H 1 8.289 0.002 . 1 . . 154 . . 525 GLU H . 25368 1 481 . 1 1 125 125 GLU C C 13 173.134 0.01 . 1 . . 1021 . . 525 GLU C . 25368 1 482 . 1 1 125 125 GLU CA C 13 53.523 0.029 . 1 . . 1022 . . 525 GLU CA . 25368 1 483 . 1 1 125 125 GLU CB C 13 31.922 0.032 . 1 . . 1020 . . 525 GLU CB . 25368 1 484 . 1 1 125 125 GLU N N 15 129.504 0.021 . 1 . . 153 . . 525 GLU N . 25368 1 485 . 1 1 126 126 ASN H H 1 8.689 0.004 . 1 . . 234 . . 526 ASN H . 25368 1 486 . 1 1 126 126 ASN C C 13 174.386 0.033 . 1 . . 1023 . . 526 ASN C . 25368 1 487 . 1 1 126 126 ASN CA C 13 51.570 0.037 . 1 . . 1024 . . 526 ASN CA . 25368 1 488 . 1 1 126 126 ASN CB C 13 37.584 0.133 . 1 . . 1025 . . 526 ASN CB . 25368 1 489 . 1 1 126 126 ASN N N 15 123.809 0.008 . 1 . . 233 . . 526 ASN N . 25368 1 490 . 1 1 127 127 ALA H H 1 8.662 0.004 . 1 . . 146 . . 527 ALA H . 25368 1 491 . 1 1 127 127 ALA C C 13 176.191 0.072 . 1 . . 1026 . . 527 ALA C . 25368 1 492 . 1 1 127 127 ALA CA C 13 49.770 0.023 . 1 . . 1027 . . 527 ALA CA . 25368 1 493 . 1 1 127 127 ALA CB C 13 18.677 0.045 . 1 . . 1028 . . 527 ALA CB . 25368 1 494 . 1 1 127 127 ALA N N 15 131.701 0.022 . 1 . . 145 . . 527 ALA N . 25368 1 495 . 1 1 128 128 ILE H H 1 7.667 0.003 . 1 . . 400 . . 528 ILE H . 25368 1 496 . 1 1 128 128 ILE C C 13 176.552 0.068 . 1 . . 1051 . . 528 ILE C . 25368 1 497 . 1 1 128 128 ILE CA C 13 58.894 0.013 . 1 . . 1053 . . 528 ILE CA . 25368 1 498 . 1 1 128 128 ILE CB C 13 34.438 0.062 . 1 . . 1052 . . 528 ILE CB . 25368 1 499 . 1 1 128 128 ILE N N 15 120.429 0.009 . 1 . . 401 . . 528 ILE N . 25368 1 500 . 1 1 129 129 VAL H H 1 8.974 0.007 . 1 . . 157 . . 529 VAL H . 25368 1 501 . 1 1 129 129 VAL C C 13 177.100 0.092 . 1 . . 1090 . . 529 VAL C . 25368 1 502 . 1 1 129 129 VAL CA C 13 60.461 0.046 . 1 . . 1091 . . 529 VAL CA . 25368 1 503 . 1 1 129 129 VAL CB C 13 33.453 0.054 . 1 . . 1092 . . 529 VAL CB . 25368 1 504 . 1 1 129 129 VAL N N 15 129.184 0.017 . 1 . . 158 . . 529 VAL N . 25368 1 505 . 1 1 131 131 GLY C C 13 175.853 0.092 . 1 . . 1361 . . 531 GLY C . 25368 1 506 . 1 1 131 131 GLY CA C 13 45.346 0.046 . 1 . . 1362 . . 531 GLY CA . 25368 1 507 . 1 1 132 132 VAL H H 1 6.603 0.002 . 1 . . 62 . . 532 VAL H . 25368 1 508 . 1 1 132 132 VAL C C 13 176.342 0.036 . 1 . . 802 . . 532 VAL C . 25368 1 509 . 1 1 132 132 VAL CA C 13 65.056 0.051 . 1 . . 803 . . 532 VAL CA . 25368 1 510 . 1 1 132 132 VAL CB C 13 30.263 0.054 . 1 . . 1363 . . 532 VAL CB . 25368 1 511 . 1 1 132 132 VAL N N 15 111.677 0.009 . 1 . . 61 . . 532 VAL N . 25368 1 512 . 1 1 133 133 VAL H H 1 5.969 0.003 . 1 . . 59 . . 533 VAL H . 25368 1 513 . 1 1 133 133 VAL C C 13 173.395 0.092 . 1 . . 1366 . . 533 VAL C . 25368 1 514 . 1 1 133 133 VAL CA C 13 59.777 0.046 . 1 . . 1365 . . 533 VAL CA . 25368 1 515 . 1 1 133 133 VAL CB C 13 33.957 0.054 . 1 . . 1364 . . 553 VAL CB . 25368 1 516 . 1 1 133 133 VAL N N 15 113.831 0.033 . 1 . . 60 . . 533 VAL N . 25368 1 517 . 1 1 134 134 PRO C C 13 176.716 0.092 . 1 . . 1425 . . 534 PRO C . 25368 1 518 . 1 1 134 134 PRO CA C 13 62.208 0.046 . 1 . . 1424 . . 534 PRO CA . 25368 1 519 . 1 1 134 134 PRO CB C 13 31.244 0.054 . 1 . . 1423 . . 534 PRO CB . 25368 1 520 . 1 1 135 135 ARG H H 1 8.221 0.006 . 1 . . 301 . . 535 ARG H . 25368 1 521 . 1 1 135 135 ARG C C 13 178.503 0.075 . 1 . . 830 . . 535 ARG C . 25368 1 522 . 1 1 135 135 ARG CA C 13 58.526 0.007 . 1 . . 831 . . 535 ARG CA . 25368 1 523 . 1 1 135 135 ARG CB C 13 28.874 0.054 . 1 . . 1422 . . 535 ARG CB . 25368 1 524 . 1 1 135 135 ARG N N 15 123.828 0.008 . 1 . . 300 . . 535 ARG N . 25368 1 525 . 1 1 136 136 GLU H H 1 9.454 0.004 . 1 . . 98 . . 536 GLU H . 25368 1 526 . 1 1 136 136 GLU C C 13 177.214 0.085 . 1 . . 930 . . 536 GLU C . 25368 1 527 . 1 1 136 136 GLU CA C 13 57.857 0.052 . 1 . . 931 . . 536 GLU CA . 25368 1 528 . 1 1 136 136 GLU CB C 13 27.483 0.063 . 1 . . 932 . . 536 GLU CB . 25368 1 529 . 1 1 136 136 GLU N N 15 118.177 0.033 . 1 . . 97 . . 536 GLU N . 25368 1 530 . 1 1 137 137 TYR H H 1 7.582 0.002 . 1 . . 499 . . 537 TYR H . 25368 1 531 . 1 1 137 137 TYR C C 13 176.032 0.057 . 1 . . 1033 . . 537 TYR C . 25368 1 532 . 1 1 137 137 TYR CA C 13 55.725 0.06 . 1 . . 1031 . . 537 TYR CA . 25368 1 533 . 1 1 137 137 TYR CB C 13 38.003 0.043 . 1 . . 1032 . . 537 TYR CB . 25368 1 534 . 1 1 137 137 TYR N N 15 117.274 0.009 . 1 . . 498 . . 537 TYR N . 25368 1 535 . 1 1 138 138 ILE H H 1 7.296 0.004 . 1 . . 325 . . 538 ILE H . 25368 1 536 . 1 1 138 138 ILE C C 13 175.543 0.092 . 1 . . 1421 . . 538 ILE C . 25368 1 537 . 1 1 138 138 ILE CA C 13 65.991 0.046 . 1 . . 1420 . . 538 ILE CA . 25368 1 538 . 1 1 138 138 ILE CB C 13 33.541 0.054 . 1 . . 1419 . . 538 ILE CB . 25368 1 539 . 1 1 138 138 ILE N N 15 122.252 0.007 . 1 . . 324 . . 538 ILE N . 25368 1 540 . 1 1 140 140 SER C C 13 175.796 0.092 . 1 . . 950 . . 540 SER C . 25368 1 541 . 1 1 140 140 SER CA C 13 61.903 0.046 . 1 . . 949 . . 540 SER CA . 25368 1 542 . 1 1 141 141 VAL H H 1 7.717 0.004 . 1 . . 313 . . 541 VAL H . 25368 1 543 . 1 1 141 141 VAL C C 13 176.875 0.094 . 1 . . 871 . . 541 VAL C . 25368 1 544 . 1 1 141 141 VAL CA C 13 65.505 0.063 . 1 . . 872 . . 541 VAL CA . 25368 1 545 . 1 1 141 141 VAL CB C 13 30.425 0.038 . 1 . . 948 . . 541 VAL CB . 25368 1 546 . 1 1 141 141 VAL N N 15 123.584 0.011 . 1 . . 312 . . 541 VAL N . 25368 1 547 . 1 1 142 142 GLU H H 1 7.026 0.004 . 1 . . 403 . . 542 GLU H . 25368 1 548 . 1 1 142 142 GLU C C 13 177.455 0.082 . 1 . . 873 . . 542 GLU C . 25368 1 549 . 1 1 142 142 GLU CA C 13 59.906 0.043 . 1 . . 874 . . 542 GLU CA . 25368 1 550 . 1 1 142 142 GLU CB C 13 27.854 0.054 . 1 . . 944 . . 542 GLU CB . 25368 1 551 . 1 1 142 142 GLU N N 15 119.739 0.009 . 1 . . 402 . . 542 GLU N . 25368 1 552 . 1 1 143 143 ALA H H 1 8.123 0.007 . 1 . . 385 . . 543 ALA H . 25368 1 553 . 1 1 143 143 ALA C C 13 180.127 0.075 . 1 . . 869 . . 543 ALA C . 25368 1 554 . 1 1 143 143 ALA CA C 13 54.289 0.001 . 1 . . 870 . . 543 ALA CA . 25368 1 555 . 1 1 143 143 ALA CB C 13 17.742 0.054 . 1 . . 942 . . 543 ALA CB . 25368 1 556 . 1 1 143 143 ALA N N 15 119.636 0.009 . 1 . . 384 . . 543 ALA N . 25368 1 557 . 1 1 144 144 GLY H H 1 8.494 0.003 . 1 . . 22 . . 544 GLY H . 25368 1 558 . 1 1 144 144 GLY C C 13 176.613 0.04 . 1 . . 818 . . 544 GLY C . 25368 1 559 . 1 1 144 144 GLY CA C 13 46.362 0.034 . 1 . . 819 . . 544 GLY CA . 25368 1 560 . 1 1 144 144 GLY N N 15 106.244 0.033 . 1 . . 21 . . 544 GLY N . 25368 1 561 . 1 1 145 145 LEU H H 1 8.095 0.005 . 1 . . 340 . . 545 LEU H . 25368 1 562 . 1 1 145 145 LEU C C 13 177.496 0.105 . 1 . . 947 . . 545 LEU C . 25368 1 563 . 1 1 145 145 LEU CA C 13 57.058 0.011 . 1 . . 946 . . 545 LEU CA . 25368 1 564 . 1 1 145 145 LEU CB C 13 41.300 0.077 . 1 . . 945 . . 545 LEU CB . 25368 1 565 . 1 1 145 145 LEU N N 15 122.330 0.008 . 1 . . 341 . . 545 LEU N . 25368 1 566 . 1 1 146 146 LYS H H 1 8.066 0.002 . 1 . . 423 . . 546 LYS H . 25368 1 567 . 1 1 146 146 LYS C C 13 179.578 0.091 . 1 . . 1330 . . 546 LYS C . 25368 1 568 . 1 1 146 146 LYS CA C 13 59.783 0.006 . 1 . . 1328 . . 546 LYS CA . 25368 1 569 . 1 1 146 146 LYS CB C 13 30.282 0.054 . 1 . . 1329 . . 546 LYS CB . 25368 1 570 . 1 1 146 146 LYS N N 15 120.305 0.007 . 1 . . 422 . . 546 LYS N . 25368 1 571 . 1 1 147 147 ASP H H 1 8.131 0.002 . 1 . . 389 . . 547 ASP H . 25368 1 572 . 1 1 147 147 ASP C C 13 178.141 0.106 . 1 . . 925 . . 547 ASP C . 25368 1 573 . 1 1 147 147 ASP CA C 13 56.447 0.005 . 1 . . 924 . . 547 ASP CA . 25368 1 574 . 1 1 147 147 ASP CB C 13 40.158 0.089 . 1 . . 926 . . 547 ASP CB . 25368 1 575 . 1 1 147 147 ASP N N 15 119.061 0.007 . 1 . . 388 . . 547 ASP N . 25368 1 576 . 1 1 148 148 ALA H H 1 7.594 0.004 . 1 . . 399 . . 548 ALA H . 25368 1 577 . 1 1 148 148 ALA C C 13 181.179 0.092 . 1 . . 1326 . . 548 ALA C . 25368 1 578 . 1 1 148 148 ALA CA C 13 53.988 0.004 . 1 . . 1325 . . 548 ALA CA . 25368 1 579 . 1 1 148 148 ALA CB C 13 17.434 0.033 . 1 . . 1324 . . 548 ALA CB . 25368 1 580 . 1 1 148 148 ALA N N 15 121.343 0.156 . 1 . . 398 . . 548 ALA N . 25368 1 581 . 1 1 149 149 MET H H 1 8.694 0.003 . 1 . . 190 . . 549 MET H . 25368 1 582 . 1 1 149 149 MET C C 13 178.001 0.096 . 1 . . 1294 . . 549 MET C . 25368 1 583 . 1 1 149 149 MET CA C 13 59.316 0.031 . 1 . . 1293 . . 549 MET CA . 25368 1 584 . 1 1 149 149 MET CB C 13 31.260 0.03 . 1 . . 1292 . . 549 MET CB . 25368 1 585 . 1 1 149 149 MET N N 15 118.706 0.009 . 1 . . 189 . . 549 MET N . 25368 1 586 . 1 1 150 150 GLU H H 1 7.253 0.003 . 1 . . 491 . . 550 GLU H . 25368 1 587 . 1 1 150 150 GLU C C 13 175.971 0.077 . 1 . . 1166 . . 550 GLU C . 25368 1 588 . 1 1 150 150 GLU CA C 13 58.327 0.003 . 1 . . 1165 . . 550 GLU CA . 25368 1 589 . 1 1 150 150 GLU CB C 13 28.495 0.054 . 1 . . 1323 . . 550 GLU CB . 25368 1 590 . 1 1 150 150 GLU N N 15 119.274 0.01 . 1 . . 490 . . 550 GLU N . 25368 1 591 . 1 1 151 151 ASN H H 1 6.814 0.003 . 1 . . 64 . . 551 ASN H . 25368 1 592 . 1 1 151 151 ASN C C 13 175.271 0.012 . 1 . . 766 . . 551 ASN C . 25368 1 593 . 1 1 151 151 ASN CA C 13 52.963 0.031 . 1 . . 767 . . 551 ASN CA . 25368 1 594 . 1 1 151 151 ASN CB C 13 39.299 0.048 . 1 . . 1322 . . 551 ASN CB . 25368 1 595 . 1 1 151 151 ASN N N 15 113.008 0.032 . 1 . . 63 . . 551 ASN N . 25368 1 596 . 1 1 152 152 GLY H H 1 6.941 0.003 . 1 . . 7 . . 552 GLY H . 25368 1 597 . 1 1 152 152 GLY C C 13 175.248 0.092 . 1 . . 1320 . . 552 GLY C . 25368 1 598 . 1 1 152 152 GLY CA C 13 45.045 0.046 . 1 . . 1321 . . 552 GLY CA . 25368 1 599 . 1 1 152 152 GLY N N 15 105.540 0.033 . 1 . . 8 . . 552 GLY N . 25368 1 600 . 1 1 155 155 ALA C C 13 175.430 0.092 . 1 . . 1507 . . 555 ALA C . 25368 1 601 . 1 1 155 155 ALA CA C 13 49.977 0.046 . 1 . . 1505 . . 555 ALA CA . 25368 1 602 . 1 1 155 155 ALA CB C 13 20.915 0.054 . 1 . . 1506 . . 555 ALA CB . 25368 1 603 . 1 1 156 156 GLY H H 1 7.591 0.003 . 1 . . 12 . . 556 GLY H . 25368 1 604 . 1 1 156 156 GLY CA C 13 44.799 0.031 . 1 . . 1460 . . 556 GLY CA . 25368 1 605 . 1 1 156 156 GLY N N 15 106.239 0.015 . 1 . . 11 . . 556 GLY N . 25368 1 606 . 1 1 157 157 TYR H H 1 8.101 0.002 . 1 . . 307 . . 557 TYR H . 25368 1 607 . 1 1 157 157 TYR C C 13 170.758 0.092 . 1 . . 1510 . . 557 TYR C . 25368 1 608 . 1 1 157 157 TYR CA C 13 55.034 0.046 . 1 . . 1509 . . 557 TYR CA . 25368 1 609 . 1 1 157 157 TYR CB C 13 37.145 0.054 . 1 . . 1508 . . 557 TYR CB . 25368 1 610 . 1 1 157 157 TYR N N 15 123.213 0.008 . 1 . . 306 . . 557 TYR N . 25368 1 611 . 1 1 158 158 PRO C C 13 175.876 0.092 . 1 . . 1358 . . 558 PRO C . 25368 1 612 . 1 1 158 158 PRO CA C 13 63.016 0.046 . 1 . . 1357 . . 558 PRO CA . 25368 1 613 . 1 1 158 158 PRO CB C 13 29.343 0.054 . 1 . . 1356 . . 558 PRO CB . 25368 1 614 . 1 1 159 159 LEU H H 1 7.912 0.004 . 1 . . 281 . . 559 LEU H . 25368 1 615 . 1 1 159 159 LEU C C 13 176.747 0.074 . 1 . . 1247 . . 559 LEU C . 25368 1 616 . 1 1 159 159 LEU CA C 13 53.382 0.057 . 1 . . 1248 . . 559 LEU CA . 25368 1 617 . 1 1 159 159 LEU CB C 13 43.126 0.169 . 1 . . 1249 . . 559 LEU CB . 25368 1 618 . 1 1 159 159 LEU N N 15 124.859 0.008 . 1 . . 280 . . 559 LEU N . 25368 1 619 . 1 1 160 160 ILE H H 1 8.973 0.003 . 1 . . 208 . . 560 ILE H . 25368 1 620 . 1 1 160 160 ILE C C 13 175.093 0.068 . 1 . . 804 . . 560 ILE C . 25368 1 621 . 1 1 160 160 ILE CA C 13 58.333 0.013 . 1 . . 805 . . 560 ILE CA . 25368 1 622 . 1 1 160 160 ILE CB C 13 42.491 0.054 . 1 . . 1246 . . 560 ILE CB . 25368 1 623 . 1 1 160 160 ILE N N 15 119.666 0.009 . 1 . . 207 . . 560 ILE N . 25368 1 624 . 1 1 161 161 ASP H H 1 8.197 0.004 . 1 . . 178 . . 561 ASP H . 25368 1 625 . 1 1 161 161 ASP C C 13 175.077 0.034 . 1 . . 840 . . 561 ASP C . 25368 1 626 . 1 1 161 161 ASP CA C 13 54.866 0.004 . 1 . . 841 . . 561 ASP CA . 25368 1 627 . 1 1 161 161 ASP CB C 13 38.318 0.041 . 1 . . 1245 . . 561 ASP CB . 25368 1 628 . 1 1 161 161 ASP N N 15 117.049 0.01 . 1 . . 177 . . 561 ASP N . 25368 1 629 . 1 1 162 162 VAL H H 1 7.152 0.002 . 1 . . 505 . . 562 VAL H . 25368 1 630 . 1 1 162 162 VAL C C 13 172.953 0.04 . 1 . . 838 . . 562 VAL C . 25368 1 631 . 1 1 162 162 VAL CA C 13 60.726 0.03 . 1 . . 839 . . 562 VAL CA . 25368 1 632 . 1 1 162 162 VAL CB C 13 36.277 0.087 . 1 . . 1244 . . 562 VAL CB . 25368 1 633 . 1 1 162 162 VAL N N 15 116.858 0.02 . 1 . . 504 . . 562 VAL N . 25368 1 634 . 1 1 163 163 LYS H H 1 9.172 0.002 . 1 . . 132 . . 563 LYS H . 25368 1 635 . 1 1 163 163 LYS C C 13 174.546 0.064 . 1 . . 1055 . . 563 LYS C . 25368 1 636 . 1 1 163 163 LYS CA C 13 54.061 0.002 . 1 . . 1054 . . 563 LYS CA . 25368 1 637 . 1 1 163 163 LYS CB C 13 32.818 0.032 . 1 . . 1243 . . 563 LYS CB . 25368 1 638 . 1 1 163 163 LYS N N 15 123.891 0.007 . 1 . . 131 . . 563 LYS N . 25368 1 639 . 1 1 164 164 ALA H H 1 8.609 0.003 . 1 . . 241 . . 564 ALA H . 25368 1 640 . 1 1 164 164 ALA C C 13 174.013 0.052 . 1 . . 1242 . . 564 ALA C . 25368 1 641 . 1 1 164 164 ALA CA C 13 49.201 0.007 . 1 . . 1241 . . 564 ALA CA . 25368 1 642 . 1 1 164 164 ALA CB C 13 22.919 0.054 . 1 . . 1240 . . 564 ALA CB . 25368 1 643 . 1 1 164 164 ALA N N 15 124.317 0.008 . 1 . . 240 . . 564 ALA N . 25368 1 644 . 1 1 165 165 LYS H H 1 8.626 0.003 . 1 . . 251 . . 565 LYS H . 25368 1 645 . 1 1 165 165 LYS C C 13 175.188 0.057 . 1 . . 1289 . . 565 LYS C . 25368 1 646 . 1 1 165 165 LYS CA C 13 53.041 0.055 . 1 . . 1290 . . 565 LYS CA . 25368 1 647 . 1 1 165 165 LYS CB C 13 33.384 0.054 . 1 . . 1291 . . 565 LYS CB . 25368 1 648 . 1 1 165 165 LYS N N 15 124.319 0.01 . 1 . . 250 . . 565 LYS N . 25368 1 649 . 1 1 166 166 LEU H H 1 8.414 0.002 . 1 . . 147 . . 566 LEU H . 25368 1 650 . 1 1 166 166 LEU C C 13 174.537 0.056 . 1 . . 918 . . 566 LEU C . 25368 1 651 . 1 1 166 166 LEU CA C 13 54.284 0.006 . 1 . . 920 . . 566 LEU CA . 25368 1 652 . 1 1 166 166 LEU CB C 13 43.045 0.055 . 1 . . 919 . . 566 LEU CB . 25368 1 653 . 1 1 166 166 LEU N N 15 131.581 0.013 . 1 . . 148 . . 566 LEU N . 25368 1 654 . 1 1 167 167 TYR H H 1 8.333 0.002 . 1 . . 271 . . 567 TYR H . 25368 1 655 . 1 1 167 167 TYR C C 13 173.090 0.012 . 1 . . 1176 . . 567 TYR C . 25368 1 656 . 1 1 167 167 TYR CA C 13 55.602 0.03 . 1 . . 1177 . . 567 TYR CA . 25368 1 657 . 1 1 167 167 TYR CB C 13 40.038 0.028 . 1 . . 1178 . . 567 TYR CB . 25368 1 658 . 1 1 167 167 TYR N N 15 123.286 0.01 . 1 . . 270 . . 567 TYR N . 25368 1 659 . 1 1 168 168 ASP H H 1 7.615 0.004 . 1 . . 316 . . 568 ASP H . 25368 1 660 . 1 1 168 168 ASP C C 13 173.163 0.034 . 1 . . 776 . . 568 ASP C . 25368 1 661 . 1 1 168 168 ASP CA C 13 52.261 0.041 . 1 . . 777 . . 568 ASP CA . 25368 1 662 . 1 1 168 168 ASP CB C 13 41.721 0.028 . 1 . . 1175 . . 568 ASP CB . 25368 1 663 . 1 1 168 168 ASP N N 15 122.528 0.008 . 1 . . 317 . . 568 ASP N . 25368 1 664 . 1 1 169 169 GLY H H 1 9.081 0.001 . 1 . . 26 . . 569 GLY H . 25368 1 665 . 1 1 169 169 GLY C C 13 170.198 0.021 . 1 . . 1170 . . 569 GLY C . 25368 1 666 . 1 1 169 169 GLY CA C 13 45.400 0.077 . 1 . . 1169 . . 569 GLY CA . 25368 1 667 . 1 1 169 169 GLY N N 15 107.195 0.042 . 1 . . 25 . . 569 GLY N . 25368 1 668 . 1 1 170 170 SER H H 1 8.612 0.003 . 1 . . 38 . . 570 SER H . 25368 1 669 . 1 1 170 170 SER C C 13 171.635 0.024 . 1 . . 864 . . 570 SER C . 25368 1 670 . 1 1 170 170 SER CA C 13 59.314 0.03 . 1 . . 863 . . 570 SER CA . 25368 1 671 . 1 1 170 170 SER CB C 13 65.697 0.011 . 1 . . 860 . . 570 SER CB . 25368 1 672 . 1 1 170 170 SER N N 15 112.279 0.014 . 1 . . 37 . . 570 SER N . 25368 1 673 . 1 1 171 171 TYR H H 1 8.221 0.002 . 1 . . 44 . . 571 TYR H . 25368 1 674 . 1 1 171 171 TYR C C 13 171.438 0.008 . 1 . . 1097 . . 571 TYR C . 25368 1 675 . 1 1 171 171 TYR CA C 13 55.413 0.046 . 1 . . 1173 . . 571 TYR CA . 25368 1 676 . 1 1 171 171 TYR CB C 13 41.270 0.081 . 1 . . 1174 . . 571 TYR CB . 25368 1 677 . 1 1 171 171 TYR N N 15 113.313 0.024 . 1 . . 43 . . 571 TYR N . 25368 1 678 . 1 1 172 172 HIS H H 1 9.030 0.004 . 1 . . 128 . . 572 HIS H . 25368 1 679 . 1 1 172 172 HIS C C 13 175.542 0.092 . 1 . . 1172 . . 572 HIS C . 25368 1 680 . 1 1 172 172 HIS CA C 13 55.401 0.046 . 1 . . 1096 . . 572 HIS CA . 25368 1 681 . 1 1 172 172 HIS CB C 13 33.510 0.054 . 1 . . 1171 . . 572 HIS CB . 25368 1 682 . 1 1 172 172 HIS N N 15 124.276 0.174 . 1 . . 127 . . 572 HIS N . 25368 1 683 . 1 1 174 174 VAL H H 1 8.956 0.007 . 1 . . 210 . . 574 VAL H . 25368 1 684 . 1 1 174 174 VAL C C 13 177.985 0.064 . 1 . . 1237 . . 574 VAL C . 25368 1 685 . 1 1 174 174 VAL CA C 13 63.458 0.054 . 1 . . 1238 . . 574 VAL CA . 25368 1 686 . 1 1 174 174 VAL CB C 13 33.661 0.054 . 1 . . 1239 . . 574 VAL CB . 25368 1 687 . 1 1 174 174 VAL N N 15 120.031 0.014 . 1 . . 209 . . 574 VAL N . 25368 1 688 . 1 1 175 175 ASP H H 1 9.603 0.011 . 1 . . 108 . . 575 ASP H . 25368 1 689 . 1 1 175 175 ASP C C 13 178.465 0.092 . 1 . . 1234 . . 575 ASP C . 25368 1 690 . 1 1 175 175 ASP CA C 13 55.172 0.016 . 1 . . 1235 . . 575 ASP CA . 25368 1 691 . 1 1 175 175 ASP CB C 13 39.831 0.14 . 1 . . 1236 . . 575 ASP CB . 25368 1 692 . 1 1 175 175 ASP N N 15 120.809 0.006 . 1 . . 107 . . 575 ASP N . 25368 1 693 . 1 1 176 176 SER H H 1 8.338 0.006 . 1 . . 441 . . 576 SER H . 25368 1 694 . 1 1 176 176 SER C C 13 171.846 0.041 . 1 . . 844 . . 576 SER C . 25368 1 695 . 1 1 176 176 SER CA C 13 60.335 0.016 . 1 . . 845 . . 576 SER CA . 25368 1 696 . 1 1 176 176 SER CB C 13 65.354 0.275 . 1 . . 1233 . . 576 SER CB . 25368 1 697 . 1 1 176 176 SER N N 15 117.918 0.006 . 1 . . 440 . . 576 SER N . 25368 1 698 . 1 1 177 177 SER H H 1 6.922 0.002 . 1 . . 53 . . 577 SER H . 25368 1 699 . 1 1 177 177 SER C C 13 173.835 0.038 . 1 . . 1232 . . 577 SER C . 25368 1 700 . 1 1 177 177 SER CA C 13 56.476 0.046 . 1 . . 1231 . . 577 SER CA . 25368 1 701 . 1 1 177 177 SER CB C 13 66.423 0.178 . 1 . . 1230 . . 577 SER CB . 25368 1 702 . 1 1 177 177 SER N N 15 112.557 0.01 . 1 . . 54 . . 577 SER N . 25368 1 703 . 1 1 178 178 GLU H H 1 9.430 0.003 . 1 . . 515 . . 578 GLU H . 25368 1 704 . 1 1 178 178 GLU C C 13 179.530 0.092 . 1 . . 1405 . . 578 GLU C . 25368 1 705 . 1 1 178 178 GLU CA C 13 57.435 0.046 . 1 . . 1406 . . 578 GLU CA . 25368 1 706 . 1 1 178 178 GLU N N 15 121.824 0.004 . 1 . . 514 . . 578 GLU N . 25368 1 707 . 1 1 179 179 MET H H 1 8.061 0.001 . 1 . . 447 . . 579 MET H . 25368 1 708 . 1 1 179 179 MET C C 13 177.691 0.031 . 1 . . 1376 . . 579 MET C . 25368 1 709 . 1 1 179 179 MET CA C 13 57.709 0.046 . 1 . . 1375 . . 579 MET CA . 25368 1 710 . 1 1 179 179 MET CB C 13 28.648 0.054 . 1 . . 1377 . . 579 MET CB . 25368 1 711 . 1 1 179 179 MET N N 15 117.983 0.01 . 1 . . 446 . . 579 MET N . 25368 1 712 . 1 1 180 180 ALA H H 1 8.099 0.002 . 1 . . 431 . . 580 ALA H . 25368 1 713 . 1 1 180 180 ALA C C 13 179.785 0.157 . 1 . . 1374 . . 580 ALA C . 25368 1 714 . 1 1 180 180 ALA CA C 13 54.392 0.02 . 1 . . 1372 . . 580 ALA CA . 25368 1 715 . 1 1 180 180 ALA CB C 13 17.524 0.061 . 1 . . 1373 . . 580 ALA CB . 25368 1 716 . 1 1 180 180 ALA N N 15 120.611 0.007 . 1 . . 430 . . 580 ALA N . 25368 1 717 . 1 1 181 181 PHE H H 1 7.611 0.003 . 1 . . 470 . . 581 PHE H . 25368 1 718 . 1 1 181 181 PHE C C 13 177.462 0.079 . 1 . . 1288 . . 581 PHE C . 25368 1 719 . 1 1 181 181 PHE CA C 13 63.477 0.029 . 1 . . 1286 . . 581 PHE CA . 25368 1 720 . 1 1 181 181 PHE CB C 13 38.759 0.023 . 1 . . 1287 . . 581 PHE CB . 25368 1 721 . 1 1 181 181 PHE N N 15 115.839 0.013 . 1 . . 471 . . 581 PHE N . 25368 1 722 . 1 1 182 182 LYS H H 1 8.151 0.003 . 1 . . 339 . . 582 LYS H . 25368 1 723 . 1 1 182 182 LYS C C 13 179.765 0.098 . 1 . . 1283 . . 582 LYS C . 25368 1 724 . 1 1 182 182 LYS CA C 13 60.253 0.022 . 1 . . 1284 . . 582 LYS CA . 25368 1 725 . 1 1 182 182 LYS CB C 13 31.414 0.027 . 1 . . 1285 . . 582 LYS CB . 25368 1 726 . 1 1 182 182 LYS N N 15 122.270 0.007 . 1 . . 338 . . 582 LYS N . 25368 1 727 . 1 1 183 183 ILE H H 1 8.039 0.003 . 1 . . 421 . . 583 ILE H . 25368 1 728 . 1 1 183 183 ILE C C 13 179.143 0.132 . 1 . . 1280 . . 583 ILE C . 25368 1 729 . 1 1 183 183 ILE CA C 13 64.000 0.046 . 1 . . 1282 . . 583 ILE CA . 25368 1 730 . 1 1 183 183 ILE CB C 13 36.162 0.028 . 1 . . 1281 . . 583 ILE CB . 25368 1 731 . 1 1 183 183 ILE N N 15 120.248 0.017 . 1 . . 420 . . 583 ILE N . 25368 1 732 . 1 1 184 184 ALA H H 1 8.208 0.005 . 1 . . 299 . . 584 ALA H . 25368 1 733 . 1 1 184 184 ALA C C 13 178.619 0.082 . 1 . . 939 . . 584 ALA C . 25368 1 734 . 1 1 184 184 ALA CA C 13 55.545 0.007 . 1 . . 940 . . 584 ALA CA . 25368 1 735 . 1 1 184 184 ALA CB C 13 16.105 0.162 . 1 . . 941 . . 584 ALA CB . 25368 1 736 . 1 1 184 184 ALA N N 15 123.829 0.009 . 1 . . 298 . . 584 ALA N . 25368 1 737 . 1 1 185 185 ALA H H 1 7.872 0.003 . 1 . . 455 . . 585 ALA H . 25368 1 738 . 1 1 185 185 ALA C C 13 178.623 0.102 . 1 . . 846 . . 585 ALA C . 25368 1 739 . 1 1 185 185 ALA CA C 13 55.076 0.046 . 1 . . 847 . . 585 ALA CA . 25368 1 740 . 1 1 185 185 ALA CB C 13 18.717 0.043 . 1 . . 933 . . 585 ALA CB . 25368 1 741 . 1 1 185 185 ALA N N 15 118.673 0.007 . 1 . . 454 . . 585 ALA N . 25368 1 742 . 1 1 186 186 SER H H 1 7.497 0.003 . 1 . . 84 . . 586 SER H . 25368 1 743 . 1 1 186 186 SER C C 13 176.959 0.092 . 1 . . 1382 . . 586 SER C . 25368 1 744 . 1 1 186 186 SER CA C 13 61.191 0.035 . 1 . . 938 . . 586 SER CA . 25368 1 745 . 1 1 186 186 SER CB C 13 63.254 0.054 . 1 . . 937 . . 586 SER CB . 25368 1 746 . 1 1 186 186 SER N N 15 114.158 0.034 . 1 . . 83 . . 586 SER N . 25368 1 747 . 1 1 187 187 LEU H H 1 8.221 0.004 . 1 . . 295 . . 587 LEU H . 25368 1 748 . 1 1 187 187 LEU C C 13 179.905 0.124 . 1 . . 1379 . . 587 LEU C . 25368 1 749 . 1 1 187 187 LEU CA C 13 56.981 0.052 . 1 . . 1380 . . 587 LEU CA . 25368 1 750 . 1 1 187 187 LEU CB C 13 40.124 0.126 . 1 . . 1381 . . 587 LEU CB . 25368 1 751 . 1 1 187 187 LEU N N 15 123.179 0.009 . 1 . . 294 . . 587 LEU N . 25368 1 752 . 1 1 188 188 ALA H H 1 8.140 0.003 . 1 . . 305 . . 588 ALA H . 25368 1 753 . 1 1 188 188 ALA C C 13 178.807 0.089 . 1 . . 1003 . . 588 ALA C . 25368 1 754 . 1 1 188 188 ALA CA C 13 54.248 0.005 . 1 . . 1002 . . 588 ALA CA . 25368 1 755 . 1 1 188 188 ALA CB C 13 16.404 0.054 . 1 . . 1378 . . 588 ALA CB . 25368 1 756 . 1 1 188 188 ALA N N 15 123.021 0.007 . 1 . . 304 . . 588 ALA N . 25368 1 757 . 1 1 189 189 LEU H H 1 7.707 0.003 . 1 . . 463 . . 589 LEU H . 25368 1 758 . 1 1 189 189 LEU C C 13 177.823 0.102 . 1 . . 1194 . . 589 LEU C . 25368 1 759 . 1 1 189 189 LEU CA C 13 57.080 0.032 . 1 . . 1193 . . 589 LEU CA . 25368 1 760 . 1 1 189 189 LEU CB C 13 40.162 0.15 . 1 . . 1192 . . 589 LEU CB . 25368 1 761 . 1 1 189 189 LEU N N 15 119.014 0.007 . 1 . . 462 . . 589 LEU N . 25368 1 762 . 1 1 190 190 LYS H H 1 7.606 0.003 . 1 . . 468 . . 590 LYS H . 25368 1 763 . 1 1 190 190 LYS C C 13 179.777 0.112 . 1 . . 1179 . . 590 LYS C . 25368 1 764 . 1 1 190 190 LYS CA C 13 59.122 0.022 . 1 . . 1180 . . 590 LYS CA . 25368 1 765 . 1 1 190 190 LYS CB C 13 31.112 0.068 . 1 . . 1181 . . 590 LYS CB . 25368 1 766 . 1 1 190 190 LYS N N 15 118.240 0.006 . 1 . . 469 . . 590 LYS N . 25368 1 767 . 1 1 191 191 GLU H H 1 7.801 0.003 . 1 . . 437 . . 591 GLU H . 25368 1 768 . 1 1 191 191 GLU C C 13 179.797 0.083 . 1 . . 1191 . . 591 GLU C . 25368 1 769 . 1 1 191 191 GLU CA C 13 57.754 0.033 . 1 . . 1190 . . 591 GLU CA . 25368 1 770 . 1 1 191 191 GLU CB C 13 28.167 0.152 . 1 . . 1189 . . 591 GLU CB . 25368 1 771 . 1 1 191 191 GLU N N 15 119.357 0.007 . 1 . . 436 . . 591 GLU N . 25368 1 772 . 1 1 192 192 ALA H H 1 8.451 0.004 . 1 . . 259 . . 592 ALA H . 25368 1 773 . 1 1 192 192 ALA C C 13 179.089 0.102 . 1 . . 1186 . . 592 ALA C . 25368 1 774 . 1 1 192 192 ALA CA C 13 54.086 0.023 . 1 . . 1187 . . 592 ALA CA . 25368 1 775 . 1 1 192 192 ALA CB C 13 17.940 0.054 . 1 . . 1188 . . 592 ALA CB . 25368 1 776 . 1 1 192 192 ALA N N 15 123.614 0.01 . 1 . . 258 . . 592 ALA N . 25368 1 777 . 1 1 193 193 ALA H H 1 7.971 0.002 . 1 . . 417 . . 593 ALA H . 25368 1 778 . 1 1 193 193 ALA C C 13 177.368 0.036 . 1 . . 1127 . . 593 ALA C . 25368 1 779 . 1 1 193 193 ALA CA C 13 54.324 0.003 . 1 . . 1185 . . 593 ALA CA . 25368 1 780 . 1 1 193 193 ALA CB C 13 17.473 0.079 . 1 . . 1126 . . 593 ALA CB . 25368 1 781 . 1 1 193 193 ALA N N 15 120.036 0.008 . 1 . . 416 . . 593 ALA N . 25368 1 782 . 1 1 194 194 LYS H H 1 6.958 0.005 . 1 . . 58 . . 594 LYS H . 25368 1 783 . 1 1 194 194 LYS C C 13 177.588 0.09 . 1 . . 1184 . . 594 LYS C . 25368 1 784 . 1 1 194 194 LYS CA C 13 56.956 0.075 . 1 . . 1183 . . 594 LYS CA . 25368 1 785 . 1 1 194 194 LYS CB C 13 32.460 0.009 . 1 . . 1182 . . 594 LYS CB . 25368 1 786 . 1 1 194 194 LYS N N 15 112.572 0.009 . 1 . . 57 . . 594 LYS N . 25368 1 787 . 1 1 195 195 LYS H H 1 7.073 0.002 . 1 . . 507 . . 595 LYS H . 25368 1 788 . 1 1 195 195 LYS C C 13 177.299 0.104 . 1 . . 1402 . . 595 LYS C . 25368 1 789 . 1 1 195 195 LYS CA C 13 55.873 0.022 . 1 . . 1401 . . 595 LYS CA . 25368 1 790 . 1 1 195 195 LYS CB C 13 35.789 0.121 . 1 . . 1400 . . 595 LYS CB . 25368 1 791 . 1 1 195 195 LYS N N 15 116.123 0.01 . 1 . . 506 . . 595 LYS N . 25368 1 792 . 1 1 196 196 CYS H H 1 7.532 0.002 . 1 . . 606 . . 596 CYS H . 25368 1 793 . 1 1 196 196 CYS C C 13 173.208 0.023 . 1 . . 1452 . . 596 CYS C . 25368 1 794 . 1 1 196 196 CYS CA C 13 60.605 0.014 . 1 . . 1451 . . 596 CYS CA . 25368 1 795 . 1 1 196 196 CYS CB C 13 26.342 0.271 . 1 . . 1450 . . 596 CYS CB . 25368 1 796 . 1 1 196 196 CYS N N 15 114.812 0.007 . 1 . . 607 . . 596 CYS N . 25368 1 797 . 1 1 197 197 ASP H H 1 8.432 0.002 . 1 . . 391 . . 597 ASP H . 25368 1 798 . 1 1 197 197 ASP C C 13 171.271 0.092 . 1 . . 1455 . . 597 ASP C . 25368 1 799 . 1 1 197 197 ASP CA C 13 54.370 0.046 . 1 . . 1454 . . 597 ASP CA . 25368 1 800 . 1 1 197 197 ASP CB C 13 40.097 0.054 . 1 . . 1453 . . 597 ASP CB . 25368 1 801 . 1 1 197 197 ASP N N 15 118.522 0.013 . 1 . . 390 . . 597 ASP N . 25368 1 802 . 1 1 198 198 PRO C C 13 176.565 0.092 . 1 . . 1219 . . 598 PRO C . 25368 1 803 . 1 1 198 198 PRO CA C 13 61.732 0.046 . 1 . . 1217 . . 598 PRO CA . 25368 1 804 . 1 1 198 198 PRO CB C 13 31.195 0.054 . 1 . . 1218 . . 598 PRO CB . 25368 1 805 . 1 1 199 199 VAL H H 1 8.620 0.003 . 1 . . 48 . . 599 VAL H . 25368 1 806 . 1 1 199 199 VAL C C 13 173.895 0.008 . 1 . . 842 . . 599 VAL C . 25368 1 807 . 1 1 199 199 VAL CA C 13 58.511 0.012 . 1 . . 843 . . 599 VAL CA . 25368 1 808 . 1 1 199 199 VAL CB C 13 35.826 0.026 . 1 . . 1216 . . 599 VAL CB . 25368 1 809 . 1 1 199 199 VAL N N 15 113.998 0.021 . 1 . . 47 . . 599 VAL N . 25368 1 810 . 1 1 200 200 ILE H H 1 8.727 0.005 . 1 . . 214 . . 600 ILE H . 25368 1 811 . 1 1 200 200 ILE C C 13 174.588 0.032 . 1 . . 903 . . 600 ILE C . 25368 1 812 . 1 1 200 200 ILE CA C 13 59.681 0.032 . 1 . . 904 . . 600 ILE CA . 25368 1 813 . 1 1 200 200 ILE CB C 13 37.504 0.182 . 1 . . 1220 . . 600 ILE CB . 25368 1 814 . 1 1 200 200 ILE N N 15 120.699 0.008 . 1 . . 213 . . 600 ILE N . 25368 1 815 . 1 1 201 201 LEU H H 1 9.354 0.003 . 1 . . 118 . . 601 LEU H . 25368 1 816 . 1 1 201 201 LEU C C 13 175.774 0.092 . 1 . . 1222 . . 601 LEU C . 25368 1 817 . 1 1 201 201 LEU CA C 13 51.867 0.043 . 1 . . 1104 . . 601 LEU CA . 25368 1 818 . 1 1 201 201 LEU CB C 13 45.515 0.085 . 1 . . 1221 . . 601 LEU CB . 25368 1 819 . 1 1 201 201 LEU N N 15 125.710 0.012 . 1 . . 117 . . 601 LEU N . 25368 1 820 . 1 1 202 202 GLU H H 1 9.905 0.005 . 1 . . 104 . . 602 GLU H . 25368 1 821 . 1 1 202 202 GLU C C 13 173.118 0.092 . 1 . . 1225 . . 602 GLU C . 25368 1 822 . 1 1 202 202 GLU CA C 13 50.643 0.046 . 1 . . 1224 . . 662 GLU CA . 25368 1 823 . 1 1 202 202 GLU CB C 13 31.193 0.054 . 1 . . 1223 . . 602 GLU CB . 25368 1 824 . 1 1 202 202 GLU N N 15 118.805 0.010 . 1 . . 103 . . 602 GLU N . 25368 1 825 . 1 1 203 203 PRO C C 13 175.870 0.092 . 1 . . 1316 . . 603 PRO C . 25368 1 826 . 1 1 203 203 PRO CA C 13 62.959 0.046 . 1 . . 1317 . . 603 PRO CA . 25368 1 827 . 1 1 204 204 MET H H 1 9.288 0.001 . 1 . . 116 . . 604 MET H . 25368 1 828 . 1 1 204 204 MET C C 13 174.306 0.032 . 1 . . 1314 . . 604 MET C . 25368 1 829 . 1 1 204 204 MET CA C 13 52.245 0.041 . 1 . . 1313 . . 604 MET CA . 25368 1 830 . 1 1 204 204 MET CB C 13 30.301 0.054 . 1 . . 1315 . . 604 MET CB . 25368 1 831 . 1 1 204 204 MET N N 15 126.726 0.095 . 1 . . 115 . . 604 MET N . 25368 1 832 . 1 1 205 205 MET H H 1 8.525 0.002 . 1 . . 262 . . 605 MET H . 25368 1 833 . 1 1 205 205 MET C C 13 175.796 0.061 . 1 . . 1147 . . 605 MET C . 25368 1 834 . 1 1 205 205 MET CA C 13 51.415 0.043 . 1 . . 1146 . . 605 MET CA . 25368 1 835 . 1 1 205 205 MET CB C 13 29.908 0.02 . 1 . . 1312 . . 605 MET CB . 25368 1 836 . 1 1 205 205 MET N N 15 122.184 0.011 . 1 . . 263 . . 605 MET N . 25368 1 837 . 1 1 206 206 LYS H H 1 9.145 0.006 . 1 . . 130 . . 606 LYS H . 25368 1 838 . 1 1 206 206 LYS C C 13 175.331 0.055 . 1 . . 774 . . 606 LYS C . 25368 1 839 . 1 1 206 206 LYS CA C 13 55.190 0.014 . 1 . . 775 . . 606 LYS CA . 25368 1 840 . 1 1 206 206 LYS CB C 13 32.731 0.315 . 1 . . 1311 . . 606 LYS CB . 25368 1 841 . 1 1 206 206 LYS N N 15 124.631 0.023 . 1 . . 129 . . 606 LYS N . 25368 1 842 . 1 1 207 207 VAL H H 1 9.211 0.005 . 1 . . 138 . . 607 VAL H . 25368 1 843 . 1 1 207 207 VAL C C 13 174.192 0.03 . 1 . . 772 . . 607 VAL C . 25368 1 844 . 1 1 207 207 VAL CA C 13 60.142 0.036 . 1 . . 773 . . 607 VAL CA . 25368 1 845 . 1 1 207 207 VAL CB C 13 33.405 0.259 . 1 . . 1310 . . 607 VAL CB . 25368 1 846 . 1 1 207 207 VAL N N 15 131.887 0.023 . 1 . . 137 . . 607 VAL N . 25368 1 847 . 1 1 208 208 THR H H 1 8.704 0.004 . 1 . . 243 . . 608 THR H . 25368 1 848 . 1 1 208 208 THR C C 13 174.275 0.06 . 1 . . 770 . . 608 THR C . 25368 1 849 . 1 1 208 208 THR CA C 13 61.040 0.049 . 1 . . 771 . . 608 THR CA . 25368 1 850 . 1 1 208 208 THR CB C 13 70.504 0.054 . 1 . . 1309 . . 608 THR CB . 25368 1 851 . 1 1 208 208 THR N N 15 124.905 0.008 . 1 . . 242 . . 608 THR N . 25368 1 852 . 1 1 209 209 ILE H H 1 9.340 0.003 . 1 . . 141 . . 609 ILE H . 25368 1 853 . 1 1 209 209 ILE C C 13 173.769 0.042 . 1 . . 836 . . 609 ILE C . 25368 1 854 . 1 1 209 209 ILE CA C 13 60.182 0.012 . 1 . . 837 . . 609 ILE CA . 25368 1 855 . 1 1 209 209 ILE CB C 13 41.163 0.011 . 1 . . 1308 . . 609 ILE CB . 25368 1 856 . 1 1 209 209 ILE N N 15 130.704 0.023 . 1 . . 142 . . 609 ILE N . 25368 1 857 . 1 1 210 210 GLU H H 1 8.981 0.003 . 1 . . 166 . . 610 GLU H . 25368 1 858 . 1 1 210 210 GLU C C 13 174.928 0.052 . 1 . . 866 . . 610 GLU C . 25368 1 859 . 1 1 210 210 GLU CA C 13 54.048 0.028 . 1 . . 865 . . 610 GLU CA . 25368 1 860 . 1 1 210 210 GLU CB C 13 31.205 0.001 . 1 . . 909 . . 610 GLU CB . 25368 1 861 . 1 1 210 210 GLU N N 15 127.978 0.02 . 1 . . 165 . . 610 GLU N . 25368 1 862 . 1 1 211 211 MET H H 1 8.958 0.004 . 1 . . 125 . . 611 MET H . 25368 1 863 . 1 1 211 211 MET C C 13 171.817 0.092 . 1 . . 1305 . . 611 MET C . 25368 1 864 . 1 1 211 211 MET CA C 13 53.183 0.046 . 1 . . 1306 . . 611 MET CA . 25368 1 865 . 1 1 211 211 MET CB C 13 31.226 0.054 . 1 . . 1307 . . 611 MET CB . 25368 1 866 . 1 1 211 211 MET N N 15 124.363 0.009 . 1 . . 126 . . 611 MET N . 25368 1 867 . 1 1 214 214 GLU H H 1 9.621 0.004 . 1 . . 100 . . 614 GLU H . 25368 1 868 . 1 1 214 214 GLU C C 13 176.789 0.064 . 1 . . 879 . . 614 GLU C . 25368 1 869 . 1 1 214 214 GLU CA C 13 57.709 0.001 . 1 . . 880 . . 614 GLU CA . 25368 1 870 . 1 1 214 214 GLU CB C 13 27.572 0.054 . 1 . . 1480 . . 614 GLU CB . 25368 1 871 . 1 1 214 214 GLU N N 15 119.336 0.027 . 1 . . 99 . . 614 GLU N . 25368 1 872 . 1 1 215 215 TYR H H 1 7.435 0.003 . 1 . . 479 . . 615 TYR H . 25368 1 873 . 1 1 215 215 TYR C C 13 175.665 0.047 . 1 . . 1427 . . 615 TYR C . 25368 1 874 . 1 1 215 215 TYR CA C 13 56.406 0.051 . 1 . . 1426 . . 615 TYR CA . 25368 1 875 . 1 1 215 215 TYR CB C 13 38.564 0.054 . 1 . . 1481 . . 615 TYR CB . 25368 1 876 . 1 1 215 215 TYR N N 15 118.579 0.007 . 1 . . 478 . . 615 TYR N . 25368 1 877 . 1 1 216 216 MET H H 1 7.699 0.005 . 1 . . 407 . . 616 MET H . 25368 1 878 . 1 1 216 216 MET C C 13 177.220 0.086 . 1 . . 1484 . . 616 MET C . 25368 1 879 . 1 1 216 216 MET CA C 13 59.293 0.044 . 1 . . 1483 . . 616 MET CA . 25368 1 880 . 1 1 216 216 MET CB C 13 32.490 0.033 . 1 . . 1482 . . 616 MET CB . 25368 1 881 . 1 1 216 216 MET N N 15 120.655 0.027 . 1 . . 406 . . 616 MET N . 25368 1 882 . 1 1 217 217 GLY H H 1 8.760 0.006 . 1 . . 509 . . 617 GLY H . 25368 1 883 . 1 1 217 217 GLY C C 13 177.153 0.092 . 1 . . 1552 . . 617 GLY C . 25368 1 884 . 1 1 217 217 GLY CA C 13 46.776 0.046 . 1 . . 1551 . . 617 GLY CA . 25368 1 885 . 1 1 217 217 GLY N N 15 107.819 0.002 . 1 . . 508 . . 617 GLY N . 25368 1 886 . 1 1 218 218 ASP H H 1 7.929 0.003 . 1 . . 289 . . 618 ASP H . 25368 1 887 . 1 1 218 218 ASP C C 13 178.834 0.092 . 1 . . 1499 . . 618 ASP C . 25368 1 888 . 1 1 218 218 ASP CA C 13 56.235 0.035 . 1 . . 1550 . . 618 ASP CA . 25368 1 889 . 1 1 218 218 ASP CB C 13 39.944 0.005 . 1 . . 1498 . . 618 ASP CB . 25368 1 890 . 1 1 218 218 ASP N N 15 123.115 0.011 . 1 . . 288 . . 618 ASP N . 25368 1 891 . 1 1 219 219 ILE H H 1 8.031 0.003 . 1 . . 344 . . 619 ILE H . 25368 1 892 . 1 1 219 219 ILE C C 13 179.144 0.151 . 1 . . 1414 . . 619 ILE C . 25368 1 893 . 1 1 219 219 ILE CA C 13 61.539 0.02 . 1 . . 1415 . . 619 ILE CA . 25368 1 894 . 1 1 219 219 ILE CB C 13 35.125 0.047 . 1 . . 1416 . . 619 ILE CB . 25368 1 895 . 1 1 219 219 ILE N N 15 122.093 0.007 . 1 . . 345 . . 619 ILE N . 25368 1 896 . 1 1 220 220 MET H H 1 8.754 0.003 . 1 . . 224 . . 620 MET H . 25368 1 897 . 1 1 220 220 MET C C 13 178.668 0.075 . 1 . . 1411 . . 620 MET C . 25368 1 898 . 1 1 220 220 MET CA C 13 58.925 0.026 . 1 . . 1413 . . 620 MET CA . 25368 1 899 . 1 1 220 220 MET CB C 13 31.250 0.027 . 1 . . 1412 . . 660 MET CB . 25368 1 900 . 1 1 220 220 MET N N 15 121.451 0.008 . 1 . . 223 . . 620 MET N . 25368 1 901 . 1 1 221 221 GLY H H 1 8.102 0.001 . 1 . . 18 . . 621 GLY H . 25368 1 902 . 1 1 221 221 GLY C C 13 176.200 0.078 . 1 . . 908 . . 621 GLY C . 25368 1 903 . 1 1 221 221 GLY CA C 13 46.434 0.039 . 1 . . 907 . . 621 GLY CA . 25368 1 904 . 1 1 221 221 GLY N N 15 107.284 0.02 . 1 . . 17 . . 621 GLY N . 25368 1 905 . 1 1 222 222 ASP H H 1 7.661 0.003 . 1 . . 315 . . 622 ASP H . 25368 1 906 . 1 1 222 222 ASP C C 13 177.988 0.074 . 1 . . 1107 . . 622 ASP C . 25368 1 907 . 1 1 222 222 ASP CA C 13 56.971 0.038 . 1 . . 1106 . . 622 ASP CA . 25368 1 908 . 1 1 222 222 ASP CB C 13 41.800 0.062 . 1 . . 1105 . . 622 ASP CB . 25368 1 909 . 1 1 222 222 ASP N N 15 123.120 0.008 . 1 . . 314 . . 622 ASP N . 25368 1 910 . 1 1 223 223 VAL H H 1 7.999 0.004 . 1 . . 418 . . 623 VAL H . 25368 1 911 . 1 1 223 223 VAL C C 13 178.824 0.092 . 1 . . 1206 . . 623 VAL C . 25368 1 912 . 1 1 223 223 VAL CA C 13 67.212 0.046 . 1 . . 1207 . . 623 VAL CA . 25368 1 913 . 1 1 223 223 VAL CB C 13 30.026 0.119 . 1 . . 1200 . . 623 VAL CB . 25368 1 914 . 1 1 223 223 VAL N N 15 119.775 0.008 . 1 . . 419 . . 623 VAL N . 25368 1 915 . 1 1 224 224 THR H H 1 7.956 0.005 . 1 . . 80 . . 624 THR H . 25368 1 916 . 1 1 224 224 THR C C 13 178.370 0.092 . 1 . . 1203 . . 624 THR C . 25368 1 917 . 1 1 224 224 THR CA C 13 65.616 0.003 . 1 . . 1201 . . 624 THR CA . 25368 1 918 . 1 1 224 224 THR CB C 13 68.613 0.038 . 1 . . 1202 . . 624 THR CB . 25368 1 919 . 1 1 224 224 THR N N 15 115.074 0.03 . 1 . . 79 . . 624 THR N . 25368 1 920 . 1 1 225 225 SER H H 1 8.053 0.003 . 1 . . 427 . . 625 SER H . 25368 1 921 . 1 1 225 225 SER C C 13 174.708 0.092 . 1 . . 1135 . . 625 SER C . 25368 1 922 . 1 1 225 225 SER CA C 13 60.983 0.038 . 1 . . 1133 . . 625 SER CA . 25368 1 923 . 1 1 225 225 SER CB C 13 63.074 0.312 . 1 . . 1134 . . 625 SER CB . 25368 1 924 . 1 1 225 225 SER N N 15 120.543 0.007 . 1 . . 426 . . 625 SER N . 25368 1 925 . 1 1 226 226 ARG H H 1 7.190 0.003 . 1 . . 321 . . 626 ARG H . 25368 1 926 . 1 1 226 226 ARG C C 13 172.290 0.021 . 1 . . 768 . . 626 ARG C . 25368 1 927 . 1 1 226 226 ARG CA C 13 55.193 0.027 . 1 . . 769 . . 626 ARG CA . 25368 1 928 . 1 1 226 226 ARG CB C 13 28.715 0.046 . 1 . . 1132 . . 626 ARG CB . 25368 1 929 . 1 1 226 226 ARG N N 15 123.555 0.007 . 1 . . 320 . . 626 ARG N . 25368 1 930 . 1 1 227 227 ARG H H 1 7.356 0.004 . 1 . . 10 . . 627 ARG H . 25368 1 931 . 1 1 227 227 ARG C C 13 175.736 0.058 . 1 . . 867 . . 627 ARG C . 25368 1 932 . 1 1 227 227 ARG CA C 13 56.933 0.027 . 1 . . 868 . . 627 ARG CA . 25368 1 933 . 1 1 227 227 ARG CB C 13 26.227 0.018 . 1 . . 1136 . . 627 ARG CB . 25368 1 934 . 1 1 227 227 ARG N N 15 107.486 0.058 . 1 . . 9 . . 627 ARG N . 25368 1 935 . 1 1 228 228 GLY H H 1 7.859 0.002 . 1 . . 3 . . 628 GLY H . 25368 1 936 . 1 1 228 228 GLY C C 13 172.864 0.013 . 1 . . 1005 . . 628 GLY C . 25368 1 937 . 1 1 228 228 GLY CA C 13 44.154 0.012 . 1 . . 1004 . . 628 GLY CA . 25368 1 938 . 1 1 228 228 GLY N N 15 103.848 0.022 . 1 . . 4 . . 628 GLY N . 25368 1 939 . 1 1 229 229 ARG H H 1 8.658 0.002 . 1 . . 181 . . 629 ARG H . 25368 1 940 . 1 1 229 229 ARG C C 13 174.716 0.032 . 1 . . 1006 . . 629 ARG C . 25368 1 941 . 1 1 229 229 ARG CA C 13 53.710 0.015 . 1 . . 1007 . . 629 ARG CA . 25368 1 942 . 1 1 229 229 ARG CB C 13 32.435 0.064 . 1 . . 1137 . . 629 ARG CB . 25368 1 943 . 1 1 229 229 ARG N N 15 117.779 0.012 . 1 . . 182 . . 629 ARG N . 25368 1 944 . 1 1 230 230 VAL H H 1 8.898 0.003 . 1 . . 123 . . 630 VAL H . 25368 1 945 . 1 1 230 230 VAL C C 13 175.199 0.042 . 1 . . 973 . . 630 VAL C . 25368 1 946 . 1 1 230 230 VAL CA C 13 62.687 0.014 . 1 . . 974 . . 630 VAL CA . 25368 1 947 . 1 1 230 230 VAL CB C 13 31.615 0.056 . 1 . . 972 . . 630 VAL CB . 25368 1 948 . 1 1 230 230 VAL N N 15 125.211 0.015 . 1 . . 124 . . 630 VAL N . 25368 1 949 . 1 1 231 231 ASP H H 1 9.256 0.005 . 1 . . 140 . . 631 ASP H . 25368 1 950 . 1 1 231 231 ASP C C 13 175.414 0.11 . 1 . . 906 . . 631 ASP C . 25368 1 951 . 1 1 231 231 ASP CA C 13 54.365 0.015 . 1 . . 905 . . 631 ASP CA . 25368 1 952 . 1 1 231 231 ASP CB C 13 43.882 0.166 . 1 . . 1138 . . 631 ASP CB . 25368 1 953 . 1 1 231 231 ASP N N 15 130.847 0.011 . 1 . . 139 . . 631 ASP N . 25368 1 954 . 1 1 232 232 GLY H H 1 7.633 0.002 . 1 . . 14 . . 632 GLY H . 25368 1 955 . 1 1 232 232 GLY C C 13 170.859 0.092 . 1 . . 1140 . . 632 GLY C . 25368 1 956 . 1 1 232 232 GLY CA C 13 44.911 0.012 . 1 . . 1139 . . 632 GLY CA . 25368 1 957 . 1 1 232 232 GLY N N 15 106.290 0.014 . 1 . . 13 . . 632 GLY N . 25368 1 958 . 1 1 233 233 MET H H 1 8.144 0.002 . 1 . . 387 . . 633 MET H . 25368 1 959 . 1 1 233 233 MET C C 13 174.787 0.057 . 1 . . 912 . . 633 MET C . 25368 1 960 . 1 1 233 233 MET CA C 13 54.083 0.017 . 1 . . 910 . . 633 MET CA . 25368 1 961 . 1 1 233 233 MET CB C 13 34.982 0.028 . 1 . . 911 . . 633 MET CB . 25368 1 962 . 1 1 233 233 MET N N 15 119.215 0.01 . 1 . . 386 . . 633 MET N . 25368 1 963 . 1 1 234 234 GLU H H 1 8.839 0.003 . 1 . . 226 . . 634 GLU H . 25368 1 964 . 1 1 234 234 GLU C C 13 172.610 0.092 . 1 . . 1143 . . 634 GLU C . 25368 1 965 . 1 1 234 234 GLU CA C 13 52.723 0.046 . 1 . . 1142 . . 634 GLU CA . 25368 1 966 . 1 1 234 234 GLU CB C 13 31.274 0.054 . 1 . . 1141 . . 634 GLU CB . 25368 1 967 . 1 1 234 234 GLU N N 15 122.363 0.012 . 1 . . 225 . . 634 GLU N . 25368 1 968 . 1 1 238 238 ASN C C 13 174.031 0.092 . 1 . . 957 . . 638 ASN C . 25368 1 969 . 1 1 238 238 ASN CA C 13 52.769 0.046 . 1 . . 958 . . 638 ASN CA . 25368 1 970 . 1 1 238 238 ASN CB C 13 37.787 0.054 . 1 . . 959 . . 638 ASN CB . 25368 1 971 . 1 1 239 239 ALA H H 1 7.961 0.002 . 1 . . 285 . . 639 ALA H . 25368 1 972 . 1 1 239 239 ALA C C 13 175.898 0.091 . 1 . . 835 . . 639 ALA C . 25368 1 973 . 1 1 239 239 ALA CA C 13 50.305 0.042 . 1 . . 834 . . 639 ALA CA . 25368 1 974 . 1 1 239 239 ALA CB C 13 20.948 0.055 . 1 . . 956 . . 639 ALA CB . 25368 1 975 . 1 1 239 239 ALA N N 15 124.129 0.008 . 1 . . 284 . . 639 ALA N . 25368 1 976 . 1 1 240 240 GLN H H 1 8.603 0.003 . 1 . . 199 . . 640 GLN H . 25368 1 977 . 1 1 240 240 GLN C C 13 173.958 0.025 . 1 . . 833 . . 640 GLN C . 25368 1 978 . 1 1 240 240 GLN CA C 13 54.052 0.018 . 1 . . 832 . . 640 GLN CA . 25368 1 979 . 1 1 240 240 GLN CB C 13 31.039 0.082 . 1 . . 960 . . 640 GLN CB . 25368 1 980 . 1 1 240 240 GLN N N 15 119.469 0.04 . 1 . . 200 . . 640 GLN N . 25368 1 981 . 1 1 241 241 VAL H H 1 8.612 0.003 . 1 . . 218 . . 641 VAL H . 25368 1 982 . 1 1 241 241 VAL C C 13 175.794 0.07 . 1 . . 935 . . 641 VAL C . 25368 1 983 . 1 1 241 241 VAL CA C 13 60.049 0.018 . 1 . . 934 . . 641 VAL CA . 25368 1 984 . 1 1 241 241 VAL CB C 13 32.384 0.115 . 1 . . 961 . . 641 VAL CB . 25368 1 985 . 1 1 241 241 VAL N N 15 121.150 0.006 . 1 . . 217 . . 641 VAL N . 25368 1 986 . 1 1 242 242 VAL H H 1 9.508 0.003 . 1 . . 110 . . 642 VAL H . 25368 1 987 . 1 1 242 242 VAL C C 13 173.975 0.041 . 1 . . 953 . . 642 VAL C . 25368 1 988 . 1 1 242 242 VAL CA C 13 60.293 0.09 . 1 . . 952 . . 642 VAL CA . 25368 1 989 . 1 1 242 242 VAL CB C 13 33.497 0.153 . 1 . . 951 . . 642 VAL CB . 25368 1 990 . 1 1 242 242 VAL N N 15 127.492 0.016 . 1 . . 109 . . 642 VAL N . 25368 1 991 . 1 1 243 243 ASN H H 1 8.553 0.003 . 1 . . 249 . . 643 ASN H . 25368 1 992 . 1 1 243 243 ASN C C 13 173.729 0.041 . 1 . . 954 . . 643 ASN C . 25368 1 993 . 1 1 243 243 ASN CA C 13 51.695 0.027 . 1 . . 955 . . 643 ASN CA . 25368 1 994 . 1 1 243 243 ASN CB C 13 40.690 0.195 . 1 . . 963 . . 643 ASN CB . 25368 1 995 . 1 1 243 243 ASN N N 15 124.992 0.012 . 1 . . 248 . . 643 ASN N . 25368 1 996 . 1 1 244 244 ALA H H 1 9.305 0.003 . 1 . . 114 . . 644 ALA H . 25368 1 997 . 1 1 244 244 ALA C C 13 174.391 0.088 . 1 . . 876 . . 644 ALA C . 25368 1 998 . 1 1 244 244 ALA CA C 13 49.588 0.009 . 1 . . 875 . . 644 ALA CA . 25368 1 999 . 1 1 244 244 ALA CB C 13 22.493 0.005 . 1 . . 964 . . 644 ALA CB . 25368 1 1000 . 1 1 244 244 ALA N N 15 126.840 0.007 . 1 . . 113 . . 644 ALA N . 25368 1 1001 . 1 1 245 245 TYR H H 1 8.642 0.004 . 1 . . 201 . . 645 TYR H . 25368 1 1002 . 1 1 245 245 TYR C C 13 175.516 0.079 . 1 . . 878 . . 645 TYR C . 25368 1 1003 . 1 1 245 245 TYR CA C 13 56.389 0.024 . 1 . . 877 . . 645 TYR CA . 25368 1 1004 . 1 1 245 245 TYR CB C 13 39.989 0.072 . 1 . . 913 . . 645 TYR CB . 25368 1 1005 . 1 1 245 245 TYR N N 15 119.510 0.013 . 1 . . 202 . . 645 TYR N . 25368 1 1006 . 1 1 246 246 VAL H H 1 8.794 0.001 . 1 . . 230 . . 646 VAL H . 25368 1 1007 . 1 1 246 246 VAL C C 13 173.387 0.092 . 1 . . 967 . . 646 VAL C . 25368 1 1008 . 1 1 246 246 VAL CA C 13 58.117 0.046 . 1 . . 966 . . 646 VAL CA . 25368 1 1009 . 1 1 246 246 VAL CB C 13 36.808 0.054 . 1 . . 965 . . 646 VAL CB . 25368 1 1010 . 1 1 246 246 VAL N N 15 123.294 0.007 . 1 . . 229 . . 646 VAL N . 25368 1 1011 . 1 1 249 249 SER C C 13 174.938 0.092 . 1 . . 1563 . . 649 SER C . 25368 1 1012 . 1 1 249 249 SER CA C 13 59.836 0.046 . 1 . . 1564 . . 649 SER CA . 25368 1 1013 . 1 1 249 249 SER CB C 13 62.423 0.054 . 1 . . 1565 . . 649 SER CB . 25368 1 1014 . 1 1 250 250 GLU H H 1 7.175 0.003 . 1 . . 487 . . 650 GLU H . 25368 1 1015 . 1 1 250 250 GLU C C 13 177.155 0.08 . 1 . . 1114 . . 650 GLU C . 25368 1 1016 . 1 1 250 250 GLU CA C 13 54.305 0.013 . 1 . . 1115 . . 650 GLU CA . 25368 1 1017 . 1 1 250 250 GLU CB C 13 29.500 0.013 . 1 . . 1495 . . 650 GLU CB . 25368 1 1018 . 1 1 250 250 GLU N N 15 118.947 0.008 . 1 . . 486 . . 650 GLU N . 25368 1 1019 . 1 1 251 251 MET H H 1 7.531 0.003 . 1 . . 501 . . 651 MET H . 25368 1 1020 . 1 1 251 251 MET C C 13 177.908 0.119 . 1 . . 1492 . . 651 MET C . 25368 1 1021 . 1 1 251 251 MET CA C 13 52.736 0.015 . 1 . . 1491 . . 651 MET CA . 25368 1 1022 . 1 1 251 251 MET CB C 13 30.222 0.054 . 1 . . 1494 . . 651 MET CB . 25368 1 1023 . 1 1 251 251 MET N N 15 117.103 0.007 . 1 . . 500 . . 651 MET N . 25368 1 1024 . 1 1 252 252 PHE H H 1 7.461 0.003 . 1 . . 319 . . 652 PHE H . 25368 1 1025 . 1 1 252 252 PHE C C 13 177.717 0.092 . 1 . . 1561 . . 652 PHE C . 25368 1 1026 . 1 1 252 252 PHE CA C 13 58.953 0.046 . 1 . . 1562 . . 652 PHE CA . 25368 1 1027 . 1 1 252 252 PHE CB C 13 36.476 0.054 . 1 . . 1493 . . 652 PHE CB . 25368 1 1028 . 1 1 252 252 PHE N N 15 123.218 0.008 . 1 . . 318 . . 652 PHE N . 25368 1 1029 . 1 1 256 256 THR C C 13 176.340 0.092 . 1 . . 1276 . . 656 THR C . 25368 1 1030 . 1 1 256 256 THR CA C 13 65.257 0.046 . 1 . . 1275 . . 656 THR CA . 25368 1 1031 . 1 1 256 256 THR CB C 13 67.902 0.054 . 1 . . 1277 . . 656 THR CB . 25368 1 1032 . 1 1 257 257 SER H H 1 7.172 0.003 . 1 . . 489 . . 657 SER H . 25368 1 1033 . 1 1 257 257 SER C C 13 175.920 0.092 . 1 . . 1274 . . 657 SER C . 25368 1 1034 . 1 1 257 257 SER CA C 13 60.744 0.013 . 1 . . 1272 . . 657 SER CA . 25368 1 1035 . 1 1 257 257 SER CB C 13 63.008 0.178 . 1 . . 1273 . . 657 SER CB . 25368 1 1036 . 1 1 257 257 SER N N 15 119.593 0.009 . 1 . . 488 . . 657 SER N . 25368 1 1037 . 1 1 258 258 LEU H H 1 8.330 0.002 . 1 . . 269 . . 658 LEU H . 25368 1 1038 . 1 1 258 258 LEU C C 13 180.384 0.073 . 1 . . 1264 . . 658 LEU C . 25368 1 1039 . 1 1 258 258 LEU CA C 13 56.993 0.029 . 1 . . 1263 . . 658 LEU CA . 25368 1 1040 . 1 1 258 258 LEU CB C 13 39.966 0.018 . 1 . . 1265 . . 658 LEU CB . 25368 1 1041 . 1 1 258 258 LEU N N 15 123.015 0.006 . 1 . . 268 . . 658 LEU N . 25368 1 1042 . 1 1 259 259 ARG H H 1 7.702 0.004 . 1 . . 397 . . 659 ARG H . 25368 1 1043 . 1 1 259 259 ARG C C 13 179.106 0.116 . 1 . . 1269 . . 659 ARG C . 25368 1 1044 . 1 1 259 259 ARG CA C 13 59.567 0.005 . 1 . . 1270 . . 659 ARG CA . 25368 1 1045 . 1 1 259 259 ARG CB C 13 28.569 0.155 . 1 . . 1271 . . 659 ARG CB . 25368 1 1046 . 1 1 259 259 ARG N N 15 121.580 0.01 . 1 . . 396 . . 659 ARG N . 25368 1 1047 . 1 1 260 260 SER H H 1 7.756 0.004 . 1 . . 82 . . 660 SER H . 25368 1 1048 . 1 1 260 260 SER C C 13 176.894 0.092 . 1 . . 1266 . . 660 SER C . 25368 1 1049 . 1 1 260 260 SER CA C 13 60.835 0.053 . 1 . . 1268 . . 660 SER CA . 25368 1 1050 . 1 1 260 260 SER CB C 13 62.538 0.192 . 1 . . 1267 . . 660 SER CB . 25368 1 1051 . 1 1 260 260 SER N N 15 114.817 0.007 . 1 . . 81 . . 660 SER N . 25368 1 1052 . 1 1 261 261 ASN H H 1 8.237 0.004 . 1 . . 443 . . 661 ASN H . 25368 1 1053 . 1 1 261 261 ASN C C 13 175.832 0.041 . 1 . . 969 . . 661 ASN C . 25368 1 1054 . 1 1 261 261 ASN CA C 13 53.980 0.018 . 1 . . 968 . . 661 ASN CA . 25368 1 1055 . 1 1 261 261 ASN CB C 13 38.686 0.009 . 1 . . 970 . . 661 ASN CB . 25368 1 1056 . 1 1 261 261 ASN N N 15 117.910 0.007 . 1 . . 442 . . 661 ASN N . 25368 1 1057 . 1 1 262 262 THR H H 1 7.162 0.003 . 1 . . 5 . . 662 THR H . 25368 1 1058 . 1 1 262 262 THR C C 13 173.787 0.092 . 1 . . 1261 . . 662 THR C . 25368 1 1059 . 1 1 262 262 THR CA C 13 59.322 0.025 . 1 . . 1262 . . 662 THR CA . 25368 1 1060 . 1 1 262 262 THR CB C 13 69.700 0.257 . 1 . . 1260 . . 662 THR CB . 25368 1 1061 . 1 1 262 262 THR N N 15 104.902 0.033 . 1 . . 6 . . 662 THR N . 25368 1 1062 . 1 1 263 263 GLN H H 1 7.524 0.003 . 1 . . 475 . . 663 GLN H . 25368 1 1063 . 1 1 263 263 GLN C C 13 176.510 0.047 . 1 . . 764 . . 663 GLN C . 25368 1 1064 . 1 1 263 263 GLN CA C 13 56.266 0.002 . 1 . . 765 . . 663 GLN CA . 25368 1 1065 . 1 1 263 263 GLN CB C 13 25.481 0.07 . 1 . . 1259 . . 663 GLN CB . 25368 1 1066 . 1 1 263 263 GLN N N 15 119.176 0.091 . 1 . . 474 . . 663 GLN N . 25368 1 1067 . 1 1 264 264 GLY H H 1 8.733 0.006 . 1 . . 1 . . 664 GLY H . 25368 1 1068 . 1 1 264 264 GLY C C 13 175.118 0.092 . 1 . . 997 . . 664 GLY C . 25368 1 1069 . 1 1 264 264 GLY CA C 13 45.206 0.059 . 1 . . 996 . . 664 GLY CA . 25368 1 1070 . 1 1 264 264 GLY N N 15 103.222 0.012 . 1 . . 2 . . 664 GLY N . 25368 1 1071 . 1 1 265 265 ARG H H 1 7.712 0.002 . 1 . . 465 . . 665 ARG H . 25368 1 1072 . 1 1 265 265 ARG C C 13 177.232 0.1 . 1 . . 883 . . 665 ARG C . 25368 1 1073 . 1 1 265 265 ARG CA C 13 56.264 0.036 . 1 . . 884 . . 665 ARG CA . 25368 1 1074 . 1 1 265 265 ARG CB C 13 31.211 0.054 . 1 . . 995 . . 665 ARG CB . 25368 1 1075 . 1 1 265 265 ARG N N 15 118.542 0.008 . 1 . . 464 . . 665 ARG N . 25368 1 1076 . 1 1 266 266 GLY H H 1 8.335 0.003 . 1 . . 20 . . 666 GLY H . 25368 1 1077 . 1 1 266 266 GLY C C 13 172.593 0.092 . 1 . . 853 . . 666 GLY C . 25368 1 1078 . 1 1 266 266 GLY CA C 13 43.628 0.008 . 1 . . 854 . . 666 GLY CA . 25368 1 1079 . 1 1 266 266 GLY N N 15 106.251 0.012 . 1 . . 19 . . 666 GLY N . 25368 1 1080 . 1 1 267 267 THR H H 1 9.074 0.002 . 1 . . 67 . . 667 THR H . 25368 1 1081 . 1 1 267 267 THR C C 13 171.845 0.019 . 1 . . 782 . . 667 THR C . 25368 1 1082 . 1 1 267 267 THR CA C 13 60.104 0.056 . 1 . . 783 . . 667 THR CA . 25368 1 1083 . 1 1 267 267 THR CB C 13 72.457 0.054 . 1 . . 852 . . 667 THR CB . 25368 1 1084 . 1 1 267 267 THR N N 15 115.004 0.019 . 1 . . 68 . . 667 THR N . 25368 1 1085 . 1 1 268 268 TYR H H 1 8.395 0.007 . 1 . . 393 . . 668 TYR H . 25368 1 1086 . 1 1 268 268 TYR C C 13 173.461 0.04 . 1 . . 780 . . 668 TYR C . 25368 1 1087 . 1 1 268 268 TYR CA C 13 55.512 0.003 . 1 . . 781 . . 668 TYR CA . 25368 1 1088 . 1 1 268 268 TYR CB C 13 41.529 0.191 . 1 . . 855 . . 668 TYR CB . 25368 1 1089 . 1 1 268 268 TYR N N 15 118.226 0.008 . 1 . . 392 . . 668 TYR N . 25368 1 1090 . 1 1 269 269 THR H H 1 8.504 0.003 . 1 . . 42 . . 669 THR H . 25368 1 1091 . 1 1 269 269 THR C C 13 172.596 0.01 . 1 . . 858 . . 669 THR C . 25368 1 1092 . 1 1 269 269 THR CA C 13 59.716 0.055 . 1 . . 857 . . 669 THR CA . 25368 1 1093 . 1 1 269 269 THR CB C 13 72.450 0.054 . 1 . . 856 . . 669 THR CB . 25368 1 1094 . 1 1 269 269 THR N N 15 112.756 0.023 . 1 . . 41 . . 669 THR N . 25368 1 1095 . 1 1 270 270 MET H H 1 8.250 0.005 . 1 . . 383 . . 670 MET H . 25368 1 1096 . 1 1 270 270 MET C C 13 173.135 0.011 . 1 . . 796 . . 670 MET C . 25368 1 1097 . 1 1 270 270 MET CA C 13 54.134 0.03 . 1 . . 797 . . 670 MET CA . 25368 1 1098 . 1 1 270 270 MET CB C 13 36.489 0.071 . 1 . . 1340 . . 670 MET CB . 25368 1 1099 . 1 1 270 270 MET N N 15 119.157 0.007 . 1 . . 382 . . 670 MET N . 25368 1 1100 . 1 1 271 271 TYR H H 1 8.346 0.002 . 1 . . 378 . . 671 TYR H . 25368 1 1101 . 1 1 271 271 TYR C C 13 174.621 0.024 . 1 . . 1152 . . 671 TYR C . 25368 1 1102 . 1 1 271 271 TYR CA C 13 55.648 0.001 . 1 . . 1150 . . 671 TYR CA . 25368 1 1103 . 1 1 271 271 TYR CB C 13 41.325 0.127 . 1 . . 1151 . . 671 TYR CB . 25368 1 1104 . 1 1 271 271 TYR N N 15 119.429 0.026 . 1 . . 379 . . 671 TYR N . 25368 1 1105 . 1 1 272 272 PHE H H 1 9.244 0.004 . 1 . . 120 . . 672 PHE H . 25368 1 1106 . 1 1 272 272 PHE C C 13 173.822 0.016 . 1 . . 1149 . . 672 PHE C . 25368 1 1107 . 1 1 272 272 PHE CA C 13 59.558 0.068 . 1 . . 1148 . . 672 PHE CA . 25368 1 1108 . 1 1 272 272 PHE CB C 13 38.563 0.114 . 1 . . 1341 . . 672 PHE CB . 25368 1 1109 . 1 1 272 272 PHE N N 15 125.467 0.01 . 1 . . 119 . . 672 PHE N . 25368 1 1110 . 1 1 273 273 ASP H H 1 8.012 0.003 . 1 . . 150 . . 673 ASP H . 25368 1 1111 . 1 1 273 273 ASP CA C 13 55.684 0.003 . 1 . . 1304 . . 673 ASP CA . 25368 1 1112 . 1 1 273 273 ASP CB C 13 46.871 0.062 . 1 . . 1342 . . 673 ASP CB . 25368 1 1113 . 1 1 273 273 ASP N N 15 129.386 0.018 . 1 . . 149 . . 673 ASP N . 25368 1 1114 . 1 1 274 274 HIS H H 1 6.937 0.005 . 1 . . 56 . . 674 HIS H . 25368 1 1115 . 1 1 274 274 HIS C C 13 172.138 0.007 . 1 . . 1298 . . 674 HIS C . 25368 1 1116 . 1 1 274 274 HIS CA C 13 55.876 0.032 . 1 . . 1297 . . 674 HIS CA . 25368 1 1117 . 1 1 274 274 HIS CB C 13 28.613 0.054 . 1 . . 1343 . . 674 HIS CB . 25368 1 1118 . 1 1 274 274 HIS N N 15 111.372 0.017 . 1 . . 55 . . 674 HIS N . 25368 1 1119 . 1 1 275 275 TYR H H 1 8.810 0.004 . 1 . . 205 . . 675 TYR H . 25368 1 1120 . 1 1 275 275 TYR C C 13 175.449 0.067 . 1 . . 1083 . . 675 TYR C . 25368 1 1121 . 1 1 275 275 TYR CA C 13 58.136 0.02 . 1 . . 1082 . . 675 TYR CA . 25368 1 1122 . 1 1 275 275 TYR CB C 13 40.115 0.115 . 1 . . 1084 . . 675 TYR CB . 25368 1 1123 . 1 1 275 275 TYR N N 15 119.719 0.007 . 1 . . 206 . . 675 TYR N . 25368 1 1124 . 1 1 276 276 ALA H H 1 8.992 0.003 . 1 . . 134 . . 676 ALA H . 25368 1 1125 . 1 1 276 276 ALA C C 13 176.273 0.062 . 1 . . 1086 . . 676 ALA C . 25368 1 1126 . 1 1 276 276 ALA CA C 13 49.834 0.013 . 1 . . 1085 . . 676 ALA CA . 25368 1 1127 . 1 1 276 276 ALA CB C 13 23.571 0.046 . 1 . . 1344 . . 676 ALA CB . 25368 1 1128 . 1 1 276 276 ALA N N 15 123.833 0.009 . 1 . . 133 . . 676 ALA N . 25368 1 1129 . 1 1 277 277 GLU H H 1 8.799 0.003 . 1 . . 228 . . 677 GLU H . 25368 1 1130 . 1 1 277 277 GLU C C 13 177.392 0.07 . 1 . . 1087 . . 677 GLU C . 25368 1 1131 . 1 1 277 277 GLU CA C 13 56.715 0.009 . 1 . . 1088 . . 677 GLU CA . 25368 1 1132 . 1 1 277 277 GLU CB C 13 29.266 0.06 . 1 . . 1089 . . 677 GLU CB . 25368 1 1133 . 1 1 277 277 GLU N N 15 122.944 0.088 . 1 . . 227 . . 677 GLU N . 25368 1 1134 . 1 1 278 278 VAL H H 1 8.645 0.004 . 1 . . 170 . . 678 VAL H . 25368 1 1135 . 1 1 278 278 VAL C C 13 173.953 0.092 . 1 . . 1347 . . 678 VAL C . 25368 1 1136 . 1 1 278 278 VAL CA C 13 59.564 0.046 . 1 . . 1345 . . 678 VAL CA . 25368 1 1137 . 1 1 278 278 VAL CB C 13 31.679 0.054 . 1 . . 1346 . . 678 VAL CB . 25368 1 1138 . 1 1 278 278 VAL N N 15 127.531 0.066 . 1 . . 169 . . 678 VAL N . 25368 1 1139 . 1 1 281 281 SER C C 13 176.625 0.092 . 1 . . 1252 . . 681 SER C . 25368 1 1140 . 1 1 281 281 SER CA C 13 60.784 0.046 . 1 . . 1251 . . 681 SER CA . 25368 1 1141 . 1 1 281 281 SER CB C 13 61.778 0.054 . 1 . . 1250 . . 681 SER CB . 25368 1 1142 . 1 1 282 282 ILE H H 1 6.863 0.003 . 1 . . 94 . . 682 ILE H . 25368 1 1143 . 1 1 282 282 ILE C C 13 177.761 0.094 . 1 . . 1162 . . 682 ILE C . 25368 1 1144 . 1 1 282 282 ILE CA C 13 62.871 0.03 . 1 . . 1163 . . 682 ILE CA . 25368 1 1145 . 1 1 282 282 ILE CB C 13 37.335 0.048 . 1 . . 1164 . . 682 ILE CB . 25368 1 1146 . 1 1 282 282 ILE N N 15 123.299 0.032 . 1 . . 93 . . 682 ILE N . 25368 1 1147 . 1 1 283 283 ALA H H 1 8.274 0.002 . 1 . . 293 . . 683 ALA H . 25368 1 1148 . 1 1 283 283 ALA C C 13 178.995 0.072 . 1 . . 1035 . . 683 ALA C . 25368 1 1149 . 1 1 283 283 ALA CA C 13 55.001 0.019 . 1 . . 1036 . . 683 ALA CA . 25368 1 1150 . 1 1 283 283 ALA CB C 13 17.460 0.065 . 1 . . 1034 . . 683 ALA CB . 25368 1 1151 . 1 1 283 283 ALA N N 15 123.743 0.008 . 1 . . 292 . . 683 ALA N . 25368 1 1152 . 1 1 284 284 GLU H H 1 8.138 0.001 . 1 . . 78 . . 684 GLU H . 25368 1 1153 . 1 1 284 284 GLU C C 13 178.806 0.072 . 1 . . 1128 . . 684 GLU C . 25368 1 1154 . 1 1 284 284 GLU CA C 13 58.946 0.021 . 1 . . 1037 . . 684 GLU CA . 25368 1 1155 . 1 1 284 284 GLU CB C 13 28.481 0.138 . 1 . . 1253 . . 684 GLU CB . 25368 1 1156 . 1 1 284 284 GLU N N 15 114.998 0.022 . 1 . . 77 . . 684 GLU N . 25368 1 1157 . 1 1 285 285 ASP H H 1 7.164 0.004 . 1 . . 485 . . 685 ASP H . 25368 1 1158 . 1 1 285 285 ASP C C 13 178.139 0.099 . 1 . . 1209 . . 685 ASP C . 25368 1 1159 . 1 1 285 285 ASP CA C 13 56.782 0.078 . 1 . . 1210 . . 685 ASP CA . 25368 1 1160 . 1 1 285 285 ASP CB C 13 40.555 0.041 . 1 . . 1208 . . 685 ASP CB . 25368 1 1161 . 1 1 285 285 ASP N N 15 119.817 0.007 . 1 . . 484 . . 685 ASP N . 25368 1 1162 . 1 1 286 286 ILE H H 1 7.840 0.003 . 1 . . 330 . . 686 ILE H . 25368 1 1163 . 1 1 286 286 ILE C C 13 178.212 0.092 . 1 . . 1213 . . 686 ILE C . 25368 1 1164 . 1 1 286 286 ILE CA C 13 64.878 0.002 . 1 . . 1211 . . 686 ILE CA . 25368 1 1165 . 1 1 286 286 ILE CB C 13 37.561 0.116 . 1 . . 1212 . . 686 ILE CB . 25368 1 1166 . 1 1 286 286 ILE N N 15 122.346 0.009 . 1 . . 331 . . 686 ILE N . 25368 1 1167 . 1 1 287 287 ILE H H 1 8.351 0.004 . 1 . . 367 . . 687 ILE H . 25368 1 1168 . 1 1 287 287 ILE C C 13 178.270 0.073 . 1 . . 1369 . . 687 ILE C . 25368 1 1169 . 1 1 287 287 ILE CA C 13 65.127 0.023 . 1 . . 1371 . . 687 ILE CA . 25368 1 1170 . 1 1 287 287 ILE CB C 13 37.780 0.004 . 1 . . 1370 . . 687 ILE CB . 25368 1 1171 . 1 1 287 287 ILE N N 15 120.555 0.009 . 1 . . 366 . . 687 ILE N . 25368 1 1172 . 1 1 288 288 LYS H H 1 7.809 0.003 . 1 . . 434 . . 688 LYS H . 25368 1 1173 . 1 1 288 288 LYS C C 13 179.010 0.124 . 1 . . 1403 . . 688 LYS C . 25368 1 1174 . 1 1 288 288 LYS CA C 13 58.924 0.092 . 1 . . 1404 . . 688 LYS CA . 25368 1 1175 . 1 1 288 288 LYS CB C 13 31.847 0.171 . 1 . . 1407 . . 688 LYS CB . 25368 1 1176 . 1 1 288 288 LYS N N 15 119.149 0.086 . 1 . . 435 . . 688 LYS N . 25368 1 1177 . 1 1 289 289 LYS H H 1 7.919 0.002 . 1 . . 412 . . 689 LYS H . 25368 1 1178 . 1 1 289 289 LYS C C 13 178.213 0.054 . 1 . . 1339 . . 689 LYS C . 25368 1 1179 . 1 1 289 289 LYS CA C 13 58.084 0.028 . 1 . . 1338 . . 689 LYS CA . 25368 1 1180 . 1 1 289 289 LYS CB C 13 31.238 0.054 . 1 . . 1337 . . 689 LYS CB . 25368 1 1181 . 1 1 289 289 LYS N N 15 119.745 0.007 . 1 . . 413 . . 689 LYS N . 25368 1 1182 . 1 1 290 290 ASN H H 1 7.914 0.002 . 1 . . 453 . . 690 ASN H . 25368 1 1183 . 1 1 290 290 ASN C C 13 176.103 0.04 . 1 . . 822 . . 690 ASN C . 25368 1 1184 . 1 1 290 290 ASN CA C 13 53.938 0.029 . 1 . . 823 . . 690 ASN CA . 25368 1 1185 . 1 1 290 290 ASN CB C 13 37.985 0.128 . 1 . . 1336 . . 690 ASN CB . 25368 1 1186 . 1 1 290 290 ASN N N 15 118.292 0.006 . 1 . . 452 . . 690 ASN N . 25368 1 1187 . 1 1 291 291 LYS H H 1 7.934 0.005 . 1 . . 415 . . 691 LYS H . 25368 1 1188 . 1 1 291 291 LYS C C 13 177.448 0.058 . 1 . . 820 . . 691 LYS C . 25368 1 1189 . 1 1 291 291 LYS CA C 13 56.502 0.009 . 1 . . 821 . . 691 LYS CA . 25368 1 1190 . 1 1 291 291 LYS CB C 13 31.944 0.033 . 1 . . 1335 . . 691 LYS CB . 25368 1 1191 . 1 1 291 291 LYS N N 15 120.039 0.007 . 1 . . 414 . . 691 LYS N . 25368 1 1192 . 1 1 292 292 GLY H H 1 8.003 0.002 . 1 . . 23 . . 692 GLY H . 25368 1 1193 . 1 1 292 292 GLY C C 13 177.418 0.092 . 1 . . 1333 . . 692 GLY C . 25368 1 1194 . 1 1 292 292 GLY CA C 13 45.040 0.046 . 1 . . 1334 . . 692 GLY CA . 25368 1 1195 . 1 1 292 292 GLY N N 15 108.931 0.018 . 1 . . 24 . . 692 GLY N . 25368 1 stop_ save_