data_6305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6305 _Entry.Title ; Mainchain proton, carbon and nitrogen chemical shifts for the C-domain of human RanGAP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-27 _Entry.Accession_date 2004-08-27 _Entry.Last_release_date 2004-11-29 _Entry.Original_release_date 2004-11-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Matthew Macauley . S. . 6305 2 Wesley Errington . J. . 6305 3 Mark Okon . . . 6305 4 Manuela Scharpf . . . 6305 5 Cameron Mackereth . D. . 6305 6 Brenda Schulman . A. . 6305 7 Lawrence McIntosh . P. . 6305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 6305 '15N chemical shifts' 152 6305 '1H chemical shifts' 152 6305 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 . . 2004-11-29 2004-08-27 original author . 6305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6304 SUMO-1 6305 BMRB 6306 'Sumoylated RanGAP1' 6305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6305 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15355965 _Citation.Full_citation . _Citation.Title 'Structural and Dynamic Independence of Isopeptide-linked RanGAP1 and SUMO-1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 47 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 49131 _Citation.Page_last 49137 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Matthew Macauley . S. . 6305 1 2 Wesley Errington . J. . 6305 1 3 Mark Okon . . . 6305 1 4 Manuela Scharpf . . . 6305 1 5 Cameron Mackereth . D. . 6305 1 6 Brenda Schulman . A. . 6305 1 7 Lawrence McIntosh . P. . 6305 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Sumo-1 6305 1 RanGAP1 6305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6305 _Assembly.ID 1 _Assembly.Name 'RanGAP1 C-domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'C-domain (residues 420-587) of human RanGAP1' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6305 1 stop_ 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 'RanGAP1 C-domain' 1 $RanGAP1 . . . native . . . . . 6305 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RanGAP1 C-domain' system 6305 1 'RanGAP1 C-domain' abbreviation 6305 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'C-domain of Ran GTP-activating protein, site of sumoylation' 6305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RanGAP1 _Entity.Sf_category entity _Entity.Sf_framecode RanGAP1 _Entity.Entry_ID 6305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RanGAP1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGEPAPVLSSPPPADVS TFLAFPSPEKLLRLGPKSSV LIAQQTDTSDPEKVVSAFLK VSSVFKDEATVTMAVQDAVD ALMQKAFNSSSFNSNTFLTR LLVHMGLLKSEDKVKAIANL YGPLMALNHMVQQDYFPKAL APLLLAFVTKPNSALESCSF ARHSLLQTLYKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6306 . Sumoylated_RanGAP1 . . . . . 100.00 172 99.42 99.42 7.50e-118 . . . . 6305 1 2 no PDB 1Z5S . "Crystal Structure Of A Complex Between Ubc9, Sumo-1, Rangap1 And Nup358RANBP2" . . . . . 98.84 172 98.24 98.82 4.21e-114 . . . . 6305 1 3 no PDB 2GRN . "Crystal Structure Of Human Rangap1-Ubc9" . . . . . 97.67 170 99.40 99.40 3.85e-114 . . . . 6305 1 4 no PDB 2GRO . "Crystal Structure Of Human Rangap1-Ubc9-N85q" . . . . . 97.67 170 99.40 99.40 3.85e-114 . . . . 6305 1 5 no PDB 2GRP . "Crystal Structure Of Human Rangap1-Ubc9-Y87a" . . . . . 97.67 170 99.40 99.40 3.85e-114 . . . . 6305 1 6 no PDB 2GRQ . "Crystal Structure Of Human Rangap1-Ubc9-D127a" . . . . . 97.67 170 99.40 99.40 3.85e-114 . . . . 6305 1 7 no PDB 2GRR . "Crystal Structure Of Human Rangap1-Ubc9-D127s" . . . . . 97.67 170 99.40 99.40 3.85e-114 . . . . 6305 1 8 no PDB 2IO2 . "Crystal Structure Of Human Senp2 In Complex With Rangap1-sumo-1" . . . . . 98.84 172 97.65 98.24 1.27e-112 . . . . 6305 1 9 no PDB 2IO3 . "Crystal Structure Of Human Senp2 In Complex With Rangap1- Sumo-2" . . . . . 98.84 172 97.65 98.24 1.27e-112 . . . . 6305 1 10 no PDB 2IY0 . "Senp1 (Mutant) Sumo1 Rangap" . . . . . 90.70 156 99.36 99.36 6.06e-105 . . . . 6305 1 11 no PDB 3UIN . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2" . . . . . 97.67 171 99.40 99.40 3.31e-114 . . . . 6305 1 12 no PDB 3UIO . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 97.67 171 99.40 99.40 3.31e-114 . . . . 6305 1 13 no PDB 3UIP . "Complex Between Human Rangap1-sumo1, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 97.67 171 99.40 99.40 3.31e-114 . . . . 6305 1 14 no DBJ BAB47464 . "KIAA1835 protein [Homo sapiens]" . . . . . 98.84 623 98.24 98.82 7.54e-111 . . . . 6305 1 15 no DBJ BAG10161 . "Ran GTPase-activating protein 1 [synthetic construct]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 16 no DBJ BAG63578 . "unnamed protein product [Homo sapiens]" . . . . . 98.84 532 98.24 98.82 1.16e-111 . . . . 6305 1 17 no DBJ BAG64552 . "unnamed protein product [Homo sapiens]" . . . . . 98.84 373 98.24 98.82 6.63e-114 . . . . 6305 1 18 no EMBL CAA57714 . "RanGAP1 [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 19 no EMBL CAG30443 . "RANGAP1 [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 20 no EMBL CAK54588 . "RANGAP1 [synthetic construct]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 21 no EMBL CAK54887 . "RANGAP1 [synthetic construct]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 22 no GB AAH04990 . "Unknown (protein for IMAGE:2905857), partial [Homo sapiens]" . . . . . 98.84 213 98.24 98.82 4.03e-115 . . . . 6305 1 23 no GB AAH14044 . "Ran GTPase activating protein 1 [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 24 no GB AAH41396 . "RANGAP1 protein [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 25 no GB AIC55014 . "RANGAP1, partial [synthetic construct]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 26 no GB EAW60420 . "Ran GTPase activating protein 1, isoform CRA_a [Homo sapiens]" . . . . . 98.26 669 98.22 98.82 3.70e-109 . . . . 6305 1 27 no REF NP_001265580 . "ran GTPase-activating protein 1 [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 28 no REF NP_002874 . "ran GTPase-activating protein 1 [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 29 no REF XP_005261752 . "PREDICTED: ran GTPase-activating protein 1 isoform X1 [Homo sapiens]" . . . . . 98.84 642 98.24 98.82 3.47e-110 . . . . 6305 1 30 no REF XP_005261753 . "PREDICTED: ran GTPase-activating protein 1 isoform X2 [Homo sapiens]" . . . . . 98.84 628 98.24 98.82 5.59e-111 . . . . 6305 1 31 no REF XP_006724352 . "PREDICTED: ran GTPase-activating protein 1 isoform X3 [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 32 no SP P46060 . "RecName: Full=Ran GTPase-activating protein 1; Short=RanGAP1 [Homo sapiens]" . . . . . 98.84 587 98.24 98.82 6.31e-112 . . . . 6305 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ran-GTP activating protein' 6305 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RanGAP1 common 6305 1 RanGAP1 abbreviation 6305 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 -4 GLY . 6305 1 2 -3 SER . 6305 1 3 -2 HIS . 6305 1 4 -1 MET . 6305 1 5 420 GLY . 6305 1 6 421 GLU . 6305 1 7 422 PRO . 6305 1 8 423 ALA . 6305 1 9 424 PRO . 6305 1 10 425 VAL . 6305 1 11 426 LEU . 6305 1 12 427 SER . 6305 1 13 428 SER . 6305 1 14 429 PRO . 6305 1 15 430 PRO . 6305 1 16 431 PRO . 6305 1 17 432 ALA . 6305 1 18 433 ASP . 6305 1 19 434 VAL . 6305 1 20 435 SER . 6305 1 21 436 THR . 6305 1 22 437 PHE . 6305 1 23 438 LEU . 6305 1 24 439 ALA . 6305 1 25 440 PHE . 6305 1 26 441 PRO . 6305 1 27 442 SER . 6305 1 28 443 PRO . 6305 1 29 444 GLU . 6305 1 30 445 LYS . 6305 1 31 446 LEU . 6305 1 32 447 LEU . 6305 1 33 448 ARG . 6305 1 34 449 LEU . 6305 1 35 450 GLY . 6305 1 36 451 PRO . 6305 1 37 452 LYS . 6305 1 38 453 SER . 6305 1 39 454 SER . 6305 1 40 455 VAL . 6305 1 41 456 LEU . 6305 1 42 457 ILE . 6305 1 43 458 ALA . 6305 1 44 459 GLN . 6305 1 45 460 GLN . 6305 1 46 461 THR . 6305 1 47 462 ASP . 6305 1 48 463 THR . 6305 1 49 464 SER . 6305 1 50 465 ASP . 6305 1 51 466 PRO . 6305 1 52 467 GLU . 6305 1 53 468 LYS . 6305 1 54 469 VAL . 6305 1 55 470 VAL . 6305 1 56 471 SER . 6305 1 57 472 ALA . 6305 1 58 473 PHE . 6305 1 59 474 LEU . 6305 1 60 475 LYS . 6305 1 61 476 VAL . 6305 1 62 477 SER . 6305 1 63 478 SER . 6305 1 64 479 VAL . 6305 1 65 480 PHE . 6305 1 66 481 LYS . 6305 1 67 482 ASP . 6305 1 68 483 GLU . 6305 1 69 484 ALA . 6305 1 70 485 THR . 6305 1 71 486 VAL . 6305 1 72 487 THR . 6305 1 73 488 MET . 6305 1 74 489 ALA . 6305 1 75 490 VAL . 6305 1 76 491 GLN . 6305 1 77 492 ASP . 6305 1 78 493 ALA . 6305 1 79 494 VAL . 6305 1 80 495 ASP . 6305 1 81 496 ALA . 6305 1 82 497 LEU . 6305 1 83 498 MET . 6305 1 84 499 GLN . 6305 1 85 500 LYS . 6305 1 86 501 ALA . 6305 1 87 502 PHE . 6305 1 88 503 ASN . 6305 1 89 504 SER . 6305 1 90 505 SER . 6305 1 91 506 SER . 6305 1 92 507 PHE . 6305 1 93 508 ASN . 6305 1 94 509 SER . 6305 1 95 510 ASN . 6305 1 96 511 THR . 6305 1 97 512 PHE . 6305 1 98 513 LEU . 6305 1 99 514 THR . 6305 1 100 515 ARG . 6305 1 101 516 LEU . 6305 1 102 517 LEU . 6305 1 103 518 VAL . 6305 1 104 519 HIS . 6305 1 105 520 MET . 6305 1 106 521 GLY . 6305 1 107 522 LEU . 6305 1 108 523 LEU . 6305 1 109 524 LYS . 6305 1 110 525 SER . 6305 1 111 526 GLU . 6305 1 112 527 ASP . 6305 1 113 528 LYS . 6305 1 114 529 VAL . 6305 1 115 530 LYS . 6305 1 116 531 ALA . 6305 1 117 532 ILE . 6305 1 118 533 ALA . 6305 1 119 534 ASN . 6305 1 120 535 LEU . 6305 1 121 536 TYR . 6305 1 122 537 GLY . 6305 1 123 538 PRO . 6305 1 124 539 LEU . 6305 1 125 540 MET . 6305 1 126 541 ALA . 6305 1 127 542 LEU . 6305 1 128 543 ASN . 6305 1 129 544 HIS . 6305 1 130 545 MET . 6305 1 131 546 VAL . 6305 1 132 547 GLN . 6305 1 133 548 GLN . 6305 1 134 549 ASP . 6305 1 135 550 TYR . 6305 1 136 551 PHE . 6305 1 137 552 PRO . 6305 1 138 553 LYS . 6305 1 139 554 ALA . 6305 1 140 555 LEU . 6305 1 141 556 ALA . 6305 1 142 557 PRO . 6305 1 143 558 LEU . 6305 1 144 559 LEU . 6305 1 145 560 LEU . 6305 1 146 561 ALA . 6305 1 147 562 PHE . 6305 1 148 563 VAL . 6305 1 149 564 THR . 6305 1 150 565 LYS . 6305 1 151 566 PRO . 6305 1 152 567 ASN . 6305 1 153 568 SER . 6305 1 154 569 ALA . 6305 1 155 570 LEU . 6305 1 156 571 GLU . 6305 1 157 572 SER . 6305 1 158 573 CYS . 6305 1 159 574 SER . 6305 1 160 575 PHE . 6305 1 161 576 ALA . 6305 1 162 577 ARG . 6305 1 163 578 HIS . 6305 1 164 579 SER . 6305 1 165 580 LEU . 6305 1 166 581 LEU . 6305 1 167 582 GLN . 6305 1 168 583 THR . 6305 1 169 584 LEU . 6305 1 170 585 TYR . 6305 1 171 586 LYS . 6305 1 172 587 VAL . 6305 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6305 1 . SER 2 2 6305 1 . HIS 3 3 6305 1 . MET 4 4 6305 1 . GLY 5 5 6305 1 . GLU 6 6 6305 1 . PRO 7 7 6305 1 . ALA 8 8 6305 1 . PRO 9 9 6305 1 . VAL 10 10 6305 1 . LEU 11 11 6305 1 . SER 12 12 6305 1 . SER 13 13 6305 1 . PRO 14 14 6305 1 . PRO 15 15 6305 1 . PRO 16 16 6305 1 . ALA 17 17 6305 1 . ASP 18 18 6305 1 . VAL 19 19 6305 1 . SER 20 20 6305 1 . THR 21 21 6305 1 . PHE 22 22 6305 1 . LEU 23 23 6305 1 . ALA 24 24 6305 1 . PHE 25 25 6305 1 . PRO 26 26 6305 1 . SER 27 27 6305 1 . PRO 28 28 6305 1 . GLU 29 29 6305 1 . LYS 30 30 6305 1 . LEU 31 31 6305 1 . LEU 32 32 6305 1 . ARG 33 33 6305 1 . LEU 34 34 6305 1 . GLY 35 35 6305 1 . PRO 36 36 6305 1 . LYS 37 37 6305 1 . SER 38 38 6305 1 . SER 39 39 6305 1 . VAL 40 40 6305 1 . LEU 41 41 6305 1 . ILE 42 42 6305 1 . ALA 43 43 6305 1 . GLN 44 44 6305 1 . GLN 45 45 6305 1 . THR 46 46 6305 1 . ASP 47 47 6305 1 . THR 48 48 6305 1 . SER 49 49 6305 1 . ASP 50 50 6305 1 . PRO 51 51 6305 1 . GLU 52 52 6305 1 . LYS 53 53 6305 1 . VAL 54 54 6305 1 . VAL 55 55 6305 1 . SER 56 56 6305 1 . ALA 57 57 6305 1 . PHE 58 58 6305 1 . LEU 59 59 6305 1 . LYS 60 60 6305 1 . VAL 61 61 6305 1 . SER 62 62 6305 1 . SER 63 63 6305 1 . VAL 64 64 6305 1 . PHE 65 65 6305 1 . LYS 66 66 6305 1 . ASP 67 67 6305 1 . GLU 68 68 6305 1 . ALA 69 69 6305 1 . THR 70 70 6305 1 . VAL 71 71 6305 1 . THR 72 72 6305 1 . MET 73 73 6305 1 . ALA 74 74 6305 1 . VAL 75 75 6305 1 . GLN 76 76 6305 1 . ASP 77 77 6305 1 . ALA 78 78 6305 1 . VAL 79 79 6305 1 . ASP 80 80 6305 1 . ALA 81 81 6305 1 . LEU 82 82 6305 1 . MET 83 83 6305 1 . GLN 84 84 6305 1 . LYS 85 85 6305 1 . ALA 86 86 6305 1 . PHE 87 87 6305 1 . ASN 88 88 6305 1 . SER 89 89 6305 1 . SER 90 90 6305 1 . SER 91 91 6305 1 . PHE 92 92 6305 1 . ASN 93 93 6305 1 . SER 94 94 6305 1 . ASN 95 95 6305 1 . THR 96 96 6305 1 . PHE 97 97 6305 1 . LEU 98 98 6305 1 . THR 99 99 6305 1 . ARG 100 100 6305 1 . LEU 101 101 6305 1 . LEU 102 102 6305 1 . VAL 103 103 6305 1 . HIS 104 104 6305 1 . MET 105 105 6305 1 . GLY 106 106 6305 1 . LEU 107 107 6305 1 . LEU 108 108 6305 1 . LYS 109 109 6305 1 . SER 110 110 6305 1 . GLU 111 111 6305 1 . ASP 112 112 6305 1 . LYS 113 113 6305 1 . VAL 114 114 6305 1 . LYS 115 115 6305 1 . ALA 116 116 6305 1 . ILE 117 117 6305 1 . ALA 118 118 6305 1 . ASN 119 119 6305 1 . LEU 120 120 6305 1 . TYR 121 121 6305 1 . GLY 122 122 6305 1 . PRO 123 123 6305 1 . LEU 124 124 6305 1 . MET 125 125 6305 1 . ALA 126 126 6305 1 . LEU 127 127 6305 1 . ASN 128 128 6305 1 . HIS 129 129 6305 1 . MET 130 130 6305 1 . VAL 131 131 6305 1 . GLN 132 132 6305 1 . GLN 133 133 6305 1 . ASP 134 134 6305 1 . TYR 135 135 6305 1 . PHE 136 136 6305 1 . PRO 137 137 6305 1 . LYS 138 138 6305 1 . ALA 139 139 6305 1 . LEU 140 140 6305 1 . ALA 141 141 6305 1 . PRO 142 142 6305 1 . LEU 143 143 6305 1 . LEU 144 144 6305 1 . LEU 145 145 6305 1 . ALA 146 146 6305 1 . PHE 147 147 6305 1 . VAL 148 148 6305 1 . THR 149 149 6305 1 . LYS 150 150 6305 1 . PRO 151 151 6305 1 . ASN 152 152 6305 1 . SER 153 153 6305 1 . ALA 154 154 6305 1 . LEU 155 155 6305 1 . GLU 156 156 6305 1 . SER 157 157 6305 1 . CYS 158 158 6305 1 . SER 159 159 6305 1 . PHE 160 160 6305 1 . ALA 161 161 6305 1 . ARG 162 162 6305 1 . HIS 163 163 6305 1 . SER 164 164 6305 1 . LEU 165 165 6305 1 . LEU 166 166 6305 1 . GLN 167 167 6305 1 . THR 168 168 6305 1 . LEU 169 169 6305 1 . TYR 170 170 6305 1 . LYS 171 171 6305 1 . VAL 172 172 6305 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 6305 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RanGAP1 . 9606 . . 'Homo sapian' Human . . Eukaryota Animalia Homo sapian . . . . . . . . . . . . . . . . . . . . . 6305 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 6305 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RanGAP1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET28a . . . . . . 6305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6305 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 RanGAP1 . . . 1 $RanGAP1 . . . . . . . . . . 6305 1 2 KCl . . . . . . . 100 . . mM . . . . 6305 1 3 KPhos . . . . . . . 10 . . mM . . . . 6305 1 4 DTT . . . . . . . 2 . . mM . . . . 6305 1 5 D2O . . . . . . . 10 . . % . . . . 6305 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6305 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 6305 1 temperature 303 0 K 6305 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 6305 _Software.ID 1 _Software.Name NMRpipe _Software.Version . _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6305 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6305 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6305 _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 NMR_spectrometer Varian Inova . 600 . . . 6305 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 6305 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6305 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6305 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6305 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6305 1 5 '15N-editted NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6305 1 6 '15N-editted TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6305 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6305 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6305 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6305 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6305 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6305 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N-editted NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6305 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '15N-editted TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6305 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 'outside sample' cylindrical parallel . . . . . . 6305 1 C 13 DSS 'methyl carbon' . . . . ppm 0 external direct . 'outside sample' cylindrical parallel . . . . . . 6305 1 N 15 DSS nitrogen . . . . ppm 0 external indirect 0.101329118 'outside sample' cylindrical parallel . . . . . . 6305 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample . 6305 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET C C 13 176.4 0.1 . 1 . . . . -1 . . . 6305 1 2 . 1 1 4 4 MET CA C 13 55.68 0.3 . 1 . . . . -1 . . . 6305 1 3 . 1 1 4 4 MET CB C 13 32.61 0.3 . 1 . . . . -1 . . . 6305 1 4 . 1 1 5 5 GLY N N 15 110.22 0.1 . 1 . . . . 420 . . . 6305 1 5 . 1 1 5 5 GLY H H 1 8.34 0.02 . 1 . . . . 420 . . . 6305 1 6 . 1 1 5 5 GLY C C 13 173.65 0.1 . 1 . . . . 420 . . . 6305 1 7 . 1 1 5 5 GLY CA C 13 45.09 0.3 . 1 . . . . 420 . . . 6305 1 8 . 1 1 6 6 GLU N N 15 121.81 0.1 . 1 . . . . 421 . . . 6305 1 9 . 1 1 6 6 GLU H H 1 8.16 0.02 . 1 . . . . 421 . . . 6305 1 10 . 1 1 6 6 GLU CA C 13 54.31 0.3 . 1 . . . . 421 . . . 6305 1 11 . 1 1 6 6 GLU CB C 13 29.87 0.3 . 1 . . . . 421 . . . 6305 1 12 . 1 1 7 7 PRO CA C 13 62.95 0.3 . 1 . . . . 422 . . . 6305 1 13 . 1 1 7 7 PRO CB C 13 32.06 0.3 . 1 . . . . 422 . . . 6305 1 14 . 1 1 8 8 ALA N N 15 125.65 0.1 . 1 . . . . 423 . . . 6305 1 15 . 1 1 8 8 ALA H H 1 8.3 0.02 . 1 . . . . 423 . . . 6305 1 16 . 1 1 8 8 ALA CA C 13 50.35 0.3 . 1 . . . . 423 . . . 6305 1 17 . 1 1 8 8 ALA CB C 13 18.17 0.3 . 1 . . . . 423 . . . 6305 1 18 . 1 1 9 9 PRO C C 13 176.72 0.1 . 1 . . . . 424 . . . 6305 1 19 . 1 1 9 9 PRO CA C 13 62.95 0.3 . 1 . . . . 424 . . . 6305 1 20 . 1 1 9 9 PRO CB C 13 32.06 0.3 . 1 . . . . 424 . . . 6305 1 21 . 1 1 10 10 VAL N N 15 120.89 0.1 . 1 . . . . 425 . . . 6305 1 22 . 1 1 10 10 VAL H H 1 8.21 0.02 . 1 . . . . 425 . . . 6305 1 23 . 1 1 10 10 VAL C C 13 176.19 0.1 . 1 . . . . 425 . . . 6305 1 24 . 1 1 10 10 VAL CA C 13 62.4 0.3 . 1 . . . . 425 . . . 6305 1 25 . 1 1 10 10 VAL CB C 13 32.62 0.3 . 1 . . . . 425 . . . 6305 1 26 . 1 1 11 11 LEU N N 15 126.53 0.1 . 1 . . . . 426 . . . 6305 1 27 . 1 1 11 11 LEU H H 1 8.34 0.02 . 1 . . . . 426 . . . 6305 1 28 . 1 1 11 11 LEU C C 13 177.13 0.1 . 1 . . . . 426 . . . 6305 1 29 . 1 1 11 11 LEU CA C 13 54.89 0.3 . 1 . . . . 426 . . . 6305 1 30 . 1 1 11 11 LEU CB C 13 42.5 0.3 . 1 . . . . 426 . . . 6305 1 31 . 1 1 12 12 SER N N 15 116.81 0.1 . 1 . . . . 427 . . . 6305 1 32 . 1 1 12 12 SER H H 1 8.24 0.02 . 1 . . . . 427 . . . 6305 1 33 . 1 1 12 12 SER C C 13 174.04 0.1 . 1 . . . . 427 . . . 6305 1 34 . 1 1 12 12 SER CA C 13 58.11 0.3 . 1 . . . . 427 . . . 6305 1 35 . 1 1 12 12 SER CB C 13 63.88 0.3 . 1 . . . . 427 . . . 6305 1 36 . 1 1 13 13 SER N N 15 118.64 0.1 . 1 . . . . 428 . . . 6305 1 37 . 1 1 13 13 SER H H 1 8.22 0.02 . 1 . . . . 428 . . . 6305 1 38 . 1 1 13 13 SER CA C 13 56.42 0.3 . 1 . . . . 428 . . . 6305 1 39 . 1 1 13 13 SER CB C 13 63.41 0.3 . 1 . . . . 428 . . . 6305 1 40 . 1 1 16 16 PRO C C 13 177.43 0.1 . 1 . . . . 431 . . . 6305 1 41 . 1 1 16 16 PRO CA C 13 63.5 0.3 . 1 . . . . 431 . . . 6305 1 42 . 1 1 16 16 PRO CB C 13 32.06 0.3 . 1 . . . . 431 . . . 6305 1 43 . 1 1 17 17 ALA N N 15 123.33 0.1 . 1 . . . . 432 . . . 6305 1 44 . 1 1 17 17 ALA H H 1 8.37 0.02 . 1 . . . . 432 . . . 6305 1 45 . 1 1 17 17 ALA C C 13 177.82 0.1 . 1 . . . . 432 . . . 6305 1 46 . 1 1 17 17 ALA CA C 13 53.14 0.3 . 1 . . . . 432 . . . 6305 1 47 . 1 1 17 17 ALA CB C 13 19.18 0.3 . 1 . . . . 432 . . . 6305 1 48 . 1 1 18 18 ASP N N 15 119.07 0.1 . 1 . . . . 433 . . . 6305 1 49 . 1 1 18 18 ASP H H 1 8.15 0.02 . 1 . . . . 433 . . . 6305 1 50 . 1 1 18 18 ASP C C 13 178.25 0.1 . 1 . . . . 433 . . . 6305 1 51 . 1 1 18 18 ASP CA C 13 54.85 0.3 . 1 . . . . 433 . . . 6305 1 52 . 1 1 18 18 ASP CB C 13 41.06 0.3 . 1 . . . . 433 . . . 6305 1 53 . 1 1 19 19 VAL N N 15 122.71 0.1 . 1 . . . . 434 . . . 6305 1 54 . 1 1 19 19 VAL H H 1 8.34 0.02 . 1 . . . . 434 . . . 6305 1 55 . 1 1 19 19 VAL CA C 13 65.85 0.3 . 1 . . . . 434 . . . 6305 1 56 . 1 1 19 19 VAL CB C 13 31.6 0.3 . 1 . . . . 434 . . . 6305 1 57 . 1 1 20 20 SER N N 15 116.55 0.1 . 1 . . . . 435 . . . 6305 1 58 . 1 1 20 20 SER H H 1 8.26 0.02 . 1 . . . . 435 . . . 6305 1 59 . 1 1 20 20 SER C C 13 177.38 0.1 . 1 . . . . 435 . . . 6305 1 60 . 1 1 20 20 SER CA C 13 62.21 0.3 . 1 . . . . 435 . . . 6305 1 61 . 1 1 21 21 THR N N 15 118.26 0.1 . 1 . . . . 436 . . . 6305 1 62 . 1 1 21 21 THR H H 1 8.22 0.02 . 1 . . . . 436 . . . 6305 1 63 . 1 1 21 21 THR C C 13 175.99 0.1 . 1 . . . . 436 . . . 6305 1 64 . 1 1 21 21 THR CA C 13 66.06 0.3 . 1 . . . . 436 . . . 6305 1 65 . 1 1 21 21 THR CB C 13 68.2 0.3 . 1 . . . . 436 . . . 6305 1 66 . 1 1 22 22 PHE N N 15 122.25 0.1 . 1 . . . . 437 . . . 6305 1 67 . 1 1 22 22 PHE H H 1 7.62 0.02 . 1 . . . . 437 . . . 6305 1 68 . 1 1 22 22 PHE C C 13 174.01 0.1 . 1 . . . . 437 . . . 6305 1 69 . 1 1 22 22 PHE CA C 13 61.66 0.3 . 1 . . . . 437 . . . 6305 1 70 . 1 1 22 22 PHE CB C 13 38.51 0.3 . 1 . . . . 437 . . . 6305 1 71 . 1 1 23 23 LEU N N 15 114.76 0.1 . 1 . . . . 438 . . . 6305 1 72 . 1 1 23 23 LEU H H 1 7.84 0.02 . 1 . . . . 438 . . . 6305 1 73 . 1 1 23 23 LEU C C 13 177.87 0.1 . 1 . . . . 438 . . . 6305 1 74 . 1 1 23 23 LEU CA C 13 57.02 0.3 . 1 . . . . 438 . . . 6305 1 75 . 1 1 23 23 LEU CB C 13 41.46 0.3 . 1 . . . . 438 . . . 6305 1 76 . 1 1 24 24 ALA N N 15 119.33 0.1 . 1 . . . . 439 . . . 6305 1 77 . 1 1 24 24 ALA H H 1 7.51 0.02 . 1 . . . . 439 . . . 6305 1 78 . 1 1 24 24 ALA C C 13 178.06 0.1 . 1 . . . . 439 . . . 6305 1 79 . 1 1 24 24 ALA CA C 13 54.32 0.3 . 1 . . . . 439 . . . 6305 1 80 . 1 1 24 24 ALA CB C 13 19.36 0.3 . 1 . . . . 439 . . . 6305 1 81 . 1 1 25 25 PHE N N 15 114.8 0.1 . 1 . . . . 440 . . . 6305 1 82 . 1 1 25 25 PHE H H 1 7.35 0.02 . 1 . . . . 440 . . . 6305 1 83 . 1 1 25 25 PHE CA C 13 54.58 0.3 . 1 . . . . 440 . . . 6305 1 84 . 1 1 25 25 PHE CB C 13 39.69 0.3 . 1 . . . . 440 . . . 6305 1 85 . 1 1 26 26 PRO CA C 13 64.88 0.3 . 1 . . . . 441 . . . 6305 1 86 . 1 1 26 26 PRO CB C 13 32.52 0.3 . 1 . . . . 441 . . . 6305 1 87 . 1 1 27 27 SER N N 15 114.53 0.1 . 1 . . . . 442 . . . 6305 1 88 . 1 1 27 27 SER H H 1 7.17 0.02 . 1 . . . . 442 . . . 6305 1 89 . 1 1 27 27 SER CA C 13 56.42 0.3 . 1 . . . . 442 . . . 6305 1 90 . 1 1 27 27 SER CB C 13 63.96 0.3 . 1 . . . . 442 . . . 6305 1 91 . 1 1 28 28 PRO C C 13 177.59 0.1 . 1 . . . . 443 . . . 6305 1 92 . 1 1 28 28 PRO CA C 13 65.98 0.3 . 1 . . . . 443 . . . 6305 1 93 . 1 1 28 28 PRO CB C 13 31.41 0.3 . 1 . . . . 443 . . . 6305 1 94 . 1 1 29 29 GLU N N 15 116.46 0.1 . 1 . . . . 444 . . . 6305 1 95 . 1 1 29 29 GLU H H 1 8.77 0.02 . 1 . . . . 444 . . . 6305 1 96 . 1 1 29 29 GLU C C 13 179.43 0.1 . 1 . . . . 444 . . . 6305 1 97 . 1 1 29 29 GLU CA C 13 60.45 0.3 . 1 . . . . 444 . . . 6305 1 98 . 1 1 29 29 GLU CB C 13 28.59 0.3 . 1 . . . . 444 . . . 6305 1 99 . 1 1 30 30 LYS N N 15 117.75 0.1 . 1 . . . . 445 . . . 6305 1 100 . 1 1 30 30 LYS H H 1 7.77 0.02 . 1 . . . . 445 . . . 6305 1 101 . 1 1 30 30 LYS C C 13 178.6 0.1 . 1 . . . . 445 . . . 6305 1 102 . 1 1 30 30 LYS CA C 13 59.63 0.3 . 1 . . . . 445 . . . 6305 1 103 . 1 1 30 30 LYS CB C 13 34.97 0.3 . 1 . . . . 445 . . . 6305 1 104 . 1 1 31 31 LEU N N 15 119.66 0.1 . 1 . . . . 446 . . . 6305 1 105 . 1 1 31 31 LEU H H 1 7.62 0.02 . 1 . . . . 446 . . . 6305 1 106 . 1 1 31 31 LEU CA C 13 57.39 0.3 . 1 . . . . 446 . . . 6305 1 107 . 1 1 31 31 LEU CB C 13 40.86 0.3 . 1 . . . . 446 . . . 6305 1 108 . 1 1 32 32 LEU N N 15 118.39 0.1 . 1 . . . . 447 . . . 6305 1 109 . 1 1 32 32 LEU H H 1 7.97 0.02 . 1 . . . . 447 . . . 6305 1 110 . 1 1 32 32 LEU C C 13 180.6 0.1 . 1 . . . . 447 . . . 6305 1 111 . 1 1 32 32 LEU CA C 13 57.43 0.3 . 1 . . . . 447 . . . 6305 1 112 . 1 1 32 32 LEU CB C 13 40.79 0.3 . 1 . . . . 447 . . . 6305 1 113 . 1 1 33 33 ARG N N 15 118.59 0.1 . 1 . . . . 448 . . . 6305 1 114 . 1 1 33 33 ARG H H 1 7.84 0.02 . 1 . . . . 448 . . . 6305 1 115 . 1 1 33 33 ARG C C 13 177.32 0.1 . 1 . . . . 448 . . . 6305 1 116 . 1 1 33 33 ARG CA C 13 57.72 0.3 . 1 . . . . 448 . . . 6305 1 117 . 1 1 33 33 ARG CB C 13 30.27 0.3 . 1 . . . . 448 . . . 6305 1 118 . 1 1 34 34 LEU N N 15 118.14 0.1 . 1 . . . . 449 . . . 6305 1 119 . 1 1 34 34 LEU H H 1 7.3 0.02 . 1 . . . . 449 . . . 6305 1 120 . 1 1 34 34 LEU CA C 13 56.46 0.3 . 1 . . . . 449 . . . 6305 1 121 . 1 1 34 34 LEU CB C 13 42.88 0.3 . 1 . . . . 449 . . . 6305 1 122 . 1 1 35 35 GLY N N 15 105.55 0.1 . 1 . . . . 450 . . . 6305 1 123 . 1 1 35 35 GLY H H 1 7.41 0.02 . 1 . . . . 450 . . . 6305 1 124 . 1 1 35 35 GLY CA C 13 45.31 0.3 . 1 . . . . 450 . . . 6305 1 125 . 1 1 36 36 PRO C C 13 178.31 0.1 . 1 . . . . 451 . . . 6305 1 126 . 1 1 36 36 PRO CA C 13 64.6 0.3 . 1 . . . . 451 . . . 6305 1 127 . 1 1 36 36 PRO CB C 13 32.24 0.3 . 1 . . . . 451 . . . 6305 1 128 . 1 1 37 37 LYS N N 15 117.95 0.1 . 1 . . . . 452 . . . 6305 1 129 . 1 1 37 37 LYS H H 1 8.81 0.02 . 1 . . . . 452 . . . 6305 1 130 . 1 1 37 37 LYS C C 13 176.62 0.1 . 1 . . . . 452 . . . 6305 1 131 . 1 1 37 37 LYS CA C 13 55.36 0.3 . 1 . . . . 452 . . . 6305 1 132 . 1 1 37 37 LYS CB C 13 31.17 0.3 . 1 . . . . 452 . . . 6305 1 133 . 1 1 38 38 SER N N 15 115.65 0.1 . 1 . . . . 453 . . . 6305 1 134 . 1 1 38 38 SER H H 1 7.93 0.02 . 1 . . . . 453 . . . 6305 1 135 . 1 1 38 38 SER C C 13 175.2 0.1 . 1 . . . . 453 . . . 6305 1 136 . 1 1 38 38 SER CA C 13 61.37 0.3 . 1 . . . . 453 . . . 6305 1 137 . 1 1 38 38 SER CB C 13 63.08 0.3 . 1 . . . . 453 . . . 6305 1 138 . 1 1 39 39 SER N N 15 115.43 0.1 . 1 . . . . 454 . . . 6305 1 139 . 1 1 39 39 SER H H 1 7.79 0.02 . 1 . . . . 454 . . . 6305 1 140 . 1 1 39 39 SER C C 13 175.4 0.1 . 1 . . . . 454 . . . 6305 1 141 . 1 1 39 39 SER CA C 13 61.26 0.3 . 1 . . . . 454 . . . 6305 1 142 . 1 1 40 40 VAL N N 15 120.95 0.1 . 1 . . . . 455 . . . 6305 1 143 . 1 1 40 40 VAL H H 1 6.99 0.02 . 1 . . . . 455 . . . 6305 1 144 . 1 1 40 40 VAL C C 13 178.09 0.1 . 1 . . . . 455 . . . 6305 1 145 . 1 1 40 40 VAL CA C 13 65.1 0.3 . 1 . . . . 455 . . . 6305 1 146 . 1 1 40 40 VAL CB C 13 32 0.3 . 1 . . . . 455 . . . 6305 1 147 . 1 1 41 41 LEU N N 15 119.96 0.1 . 1 . . . . 456 . . . 6305 1 148 . 1 1 41 41 LEU H H 1 7.97 0.02 . 1 . . . . 456 . . . 6305 1 149 . 1 1 41 41 LEU C C 13 179.7 0.1 . 1 . . . . 456 . . . 6305 1 150 . 1 1 41 41 LEU CA C 13 57.9 0.3 . 1 . . . . 456 . . . 6305 1 151 . 1 1 41 41 LEU CB C 13 42.01 0.3 . 1 . . . . 456 . . . 6305 1 152 . 1 1 42 42 ILE N N 15 118.46 0.1 . 1 . . . . 457 . . . 6305 1 153 . 1 1 42 42 ILE H H 1 8.12 0.02 . 1 . . . . 457 . . . 6305 1 154 . 1 1 42 42 ILE C C 13 178.16 0.1 . 1 . . . . 457 . . . 6305 1 155 . 1 1 42 42 ILE CA C 13 65.66 0.3 . 1 . . . . 457 . . . 6305 1 156 . 1 1 42 42 ILE CB C 13 37.92 0.3 . 1 . . . . 457 . . . 6305 1 157 . 1 1 43 43 ALA N N 15 122.27 0.1 . 1 . . . . 458 . . . 6305 1 158 . 1 1 43 43 ALA H H 1 7.58 0.02 . 1 . . . . 458 . . . 6305 1 159 . 1 1 43 43 ALA C C 13 179.57 0.1 . 1 . . . . 458 . . . 6305 1 160 . 1 1 43 43 ALA CA C 13 55.85 0.3 . 1 . . . . 458 . . . 6305 1 161 . 1 1 43 43 ALA CB C 13 17.5 0.3 . 1 . . . . 458 . . . 6305 1 162 . 1 1 44 44 GLN N N 15 115.74 0.1 . 1 . . . . 459 . . . 6305 1 163 . 1 1 44 44 GLN H H 1 8.5 0.02 . 1 . . . . 459 . . . 6305 1 164 . 1 1 44 44 GLN C C 13 177.45 0.1 . 1 . . . . 459 . . . 6305 1 165 . 1 1 44 44 GLN CA C 13 58.43 0.3 . 1 . . . . 459 . . . 6305 1 166 . 1 1 44 44 GLN CB C 13 28.92 0.3 . 1 . . . . 459 . . . 6305 1 167 . 1 1 45 45 GLN N N 15 114.82 0.1 . 1 . . . . 460 . . . 6305 1 168 . 1 1 45 45 GLN H H 1 7.4 0.02 . 1 . . . . 460 . . . 6305 1 169 . 1 1 45 45 GLN C C 13 175.43 0.1 . 1 . . . . 460 . . . 6305 1 170 . 1 1 45 45 GLN CA C 13 55.62 0.3 . 1 . . . . 460 . . . 6305 1 171 . 1 1 45 45 GLN CB C 13 28.97 0.3 . 1 . . . . 460 . . . 6305 1 172 . 1 1 46 46 THR N N 15 117.02 0.1 . 1 . . . . 461 . . . 6305 1 173 . 1 1 46 46 THR H H 1 7.32 0.02 . 1 . . . . 461 . . . 6305 1 174 . 1 1 46 46 THR C C 13 172.65 0.1 . 1 . . . . 461 . . . 6305 1 175 . 1 1 46 46 THR CA C 13 62.74 0.3 . 1 . . . . 461 . . . 6305 1 176 . 1 1 46 46 THR CB C 13 69.56 0.3 . 1 . . . . 461 . . . 6305 1 177 . 1 1 47 47 ASP N N 15 125.96 0.1 . 1 . . . . 462 . . . 6305 1 178 . 1 1 47 47 ASP H H 1 8.5 0.02 . 1 . . . . 462 . . . 6305 1 179 . 1 1 47 47 ASP C C 13 175.36 0.1 . 1 . . . . 462 . . . 6305 1 180 . 1 1 47 47 ASP CA C 13 53.1 0.3 . 1 . . . . 462 . . . 6305 1 181 . 1 1 47 47 ASP CB C 13 39.62 0.3 . 1 . . . . 462 . . . 6305 1 182 . 1 1 48 48 THR N N 15 113.6 0.1 . 1 . . . . 463 . . . 6305 1 183 . 1 1 48 48 THR H H 1 7.61 0.02 . 1 . . . . 463 . . . 6305 1 184 . 1 1 48 48 THR C C 13 173.43 0.1 . 1 . . . . 463 . . . 6305 1 185 . 1 1 48 48 THR CA C 13 61.62 0.3 . 1 . . . . 463 . . . 6305 1 186 . 1 1 48 48 THR CB C 13 67.3 0.3 . 1 . . . . 463 . . . 6305 1 187 . 1 1 49 49 SER N N 15 114.08 0.1 . 1 . . . . 464 . . . 6305 1 188 . 1 1 49 49 SER H H 1 8.17 0.02 . 1 . . . . 464 . . . 6305 1 189 . 1 1 49 49 SER C C 13 173.55 0.1 . 1 . . . . 464 . . . 6305 1 190 . 1 1 49 49 SER CA C 13 59.64 0.3 . 1 . . . . 464 . . . 6305 1 191 . 1 1 49 49 SER CB C 13 64.04 0.3 . 1 . . . . 464 . . . 6305 1 192 . 1 1 50 50 ASP N N 15 121.23 0.1 . 1 . . . . 465 . . . 6305 1 193 . 1 1 50 50 ASP H H 1 7.21 0.02 . 1 . . . . 465 . . . 6305 1 194 . 1 1 50 50 ASP CA C 13 50.09 0.3 . 1 . . . . 465 . . . 6305 1 195 . 1 1 50 50 ASP CB C 13 43.55 0.3 . 1 . . . . 465 . . . 6305 1 196 . 1 1 51 51 PRO C C 13 177.45 0.1 . 1 . . . . 466 . . . 6305 1 197 . 1 1 51 51 PRO CA C 13 65.98 0.3 . 1 . . . . 466 . . . 6305 1 198 . 1 1 51 51 PRO CB C 13 32.33 0.3 . 1 . . . . 466 . . . 6305 1 199 . 1 1 52 52 GLU N N 15 117.37 0.1 . 1 . . . . 467 . . . 6305 1 200 . 1 1 52 52 GLU H H 1 8.15 0.02 . 1 . . . . 467 . . . 6305 1 201 . 1 1 52 52 GLU C C 13 179.89 0.1 . 1 . . . . 467 . . . 6305 1 202 . 1 1 52 52 GLU CA C 13 59.28 0.3 . 1 . . . . 467 . . . 6305 1 203 . 1 1 52 52 GLU CB C 13 29.86 0.3 . 1 . . . . 467 . . . 6305 1 204 . 1 1 53 53 LYS N N 15 118.48 0.1 . 1 . . . . 468 . . . 6305 1 205 . 1 1 53 53 LYS H H 1 7.53 0.02 . 1 . . . . 468 . . . 6305 1 206 . 1 1 53 53 LYS C C 13 180.28 0.1 . 1 . . . . 468 . . . 6305 1 207 . 1 1 53 53 LYS CA C 13 58.81 0.3 . 1 . . . . 468 . . . 6305 1 208 . 1 1 53 53 LYS CB C 13 32.07 0.3 . 1 . . . . 468 . . . 6305 1 209 . 1 1 54 54 VAL N N 15 121.16 0.1 . 1 . . . . 469 . . . 6305 1 210 . 1 1 54 54 VAL H H 1 7.85 0.02 . 1 . . . . 469 . . . 6305 1 211 . 1 1 54 54 VAL C C 13 177.43 0.1 . 1 . . . . 469 . . . 6305 1 212 . 1 1 54 54 VAL CA C 13 67.07 0.3 . 1 . . . . 469 . . . 6305 1 213 . 1 1 54 54 VAL CB C 13 31.68 0.3 . 1 . . . . 469 . . . 6305 1 214 . 1 1 55 55 VAL N N 15 120.83 0.1 . 1 . . . . 470 . . . 6305 1 215 . 1 1 55 55 VAL H H 1 8.63 0.02 . 1 . . . . 470 . . . 6305 1 216 . 1 1 55 55 VAL C C 13 177.15 0.1 . 1 . . . . 470 . . . 6305 1 217 . 1 1 55 55 VAL CA C 13 68.05 0.3 . 1 . . . . 470 . . . 6305 1 218 . 1 1 55 55 VAL CB C 13 31.52 0.3 . 1 . . . . 470 . . . 6305 1 219 . 1 1 56 56 SER N N 15 111.79 0.1 . 1 . . . . 471 . . . 6305 1 220 . 1 1 56 56 SER H H 1 7.76 0.02 . 1 . . . . 471 . . . 6305 1 221 . 1 1 56 56 SER C C 13 176.8 0.1 . 1 . . . . 471 . . . 6305 1 222 . 1 1 56 56 SER CA C 13 61.43 0.3 . 1 . . . . 471 . . . 6305 1 223 . 1 1 56 56 SER CB C 13 63.01 0.3 . 1 . . . . 471 . . . 6305 1 224 . 1 1 57 57 ALA N N 15 121.61 0.1 . 1 . . . . 472 . . . 6305 1 225 . 1 1 57 57 ALA H H 1 7.83 0.02 . 1 . . . . 472 . . . 6305 1 226 . 1 1 57 57 ALA C C 13 178.52 0.1 . 1 . . . . 472 . . . 6305 1 227 . 1 1 57 57 ALA CA C 13 55.79 0.3 . 1 . . . . 472 . . . 6305 1 228 . 1 1 57 57 ALA CB C 13 19.04 0.3 . 1 . . . . 472 . . . 6305 1 229 . 1 1 58 58 PHE N N 15 118.32 0.1 . 1 . . . . 473 . . . 6305 1 230 . 1 1 58 58 PHE H H 1 8.96 0.02 . 1 . . . . 473 . . . 6305 1 231 . 1 1 58 58 PHE C C 13 178.82 0.1 . 1 . . . . 473 . . . 6305 1 232 . 1 1 58 58 PHE CA C 13 62.2 0.3 . 1 . . . . 473 . . . 6305 1 233 . 1 1 58 58 PHE CB C 13 39.48 0.3 . 1 . . . . 473 . . . 6305 1 234 . 1 1 59 59 LEU N N 15 121.24 0.1 . 1 . . . . 474 . . . 6305 1 235 . 1 1 59 59 LEU H H 1 8.88 0.02 . 1 . . . . 474 . . . 6305 1 236 . 1 1 59 59 LEU C C 13 179.47 0.1 . 1 . . . . 474 . . . 6305 1 237 . 1 1 59 59 LEU CA C 13 57.71 0.3 . 1 . . . . 474 . . . 6305 1 238 . 1 1 59 59 LEU CB C 13 40.87 0.3 . 1 . . . . 474 . . . 6305 1 239 . 1 1 60 60 LYS N N 15 121.03 0.1 . 1 . . . . 475 . . . 6305 1 240 . 1 1 60 60 LYS H H 1 8.35 0.02 . 1 . . . . 475 . . . 6305 1 241 . 1 1 60 60 LYS C C 13 179.81 0.1 . 1 . . . . 475 . . . 6305 1 242 . 1 1 60 60 LYS CA C 13 60.02 0.3 . 1 . . . . 475 . . . 6305 1 243 . 1 1 60 60 LYS CB C 13 32.94 0.3 . 1 . . . . 475 . . . 6305 1 244 . 1 1 61 61 VAL N N 15 117.11 0.1 . 1 . . . . 476 . . . 6305 1 245 . 1 1 61 61 VAL H H 1 8.36 0.02 . 1 . . . . 476 . . . 6305 1 246 . 1 1 61 61 VAL C C 13 176.48 0.1 . 1 . . . . 476 . . . 6305 1 247 . 1 1 61 61 VAL CA C 13 66.91 0.3 . 1 . . . . 476 . . . 6305 1 248 . 1 1 61 61 VAL CB C 13 32.35 0.3 . 1 . . . . 476 . . . 6305 1 249 . 1 1 62 62 SER N N 15 115.79 0.1 . 1 . . . . 477 . . . 6305 1 250 . 1 1 62 62 SER H H 1 8.08 0.02 . 1 . . . . 477 . . . 6305 1 251 . 1 1 62 62 SER C C 13 176.51 0.1 . 1 . . . . 477 . . . 6305 1 252 . 1 1 62 62 SER CA C 13 61.87 0.3 . 1 . . . . 477 . . . 6305 1 253 . 1 1 62 62 SER CB C 13 63.31 0.3 . 1 . . . . 477 . . . 6305 1 254 . 1 1 63 63 SER N N 15 115.79 0.1 . 1 . . . . 478 . . . 6305 1 255 . 1 1 63 63 SER H H 1 7.73 0.02 . 1 . . . . 478 . . . 6305 1 256 . 1 1 63 63 SER C C 13 175.86 0.1 . 1 . . . . 478 . . . 6305 1 257 . 1 1 63 63 SER CA C 13 61.29 0.3 . 1 . . . . 478 . . . 6305 1 258 . 1 1 63 63 SER CB C 13 63.03 0.3 . 1 . . . . 478 . . . 6305 1 259 . 1 1 64 64 VAL N N 15 114.03 0.1 . 1 . . . . 479 . . . 6305 1 260 . 1 1 64 64 VAL H H 1 7.09 0.02 . 1 . . . . 479 . . . 6305 1 261 . 1 1 64 64 VAL C C 13 173.47 0.1 . 1 . . . . 479 . . . 6305 1 262 . 1 1 64 64 VAL CA C 13 59.67 0.3 . 1 . . . . 479 . . . 6305 1 263 . 1 1 64 64 VAL CB C 13 30.93 0.3 . 1 . . . . 479 . . . 6305 1 264 . 1 1 65 65 PHE N N 15 118.53 0.1 . 1 . . . . 480 . . . 6305 1 265 . 1 1 65 65 PHE H H 1 7.37 0.02 . 1 . . . . 480 . . . 6305 1 266 . 1 1 65 65 PHE C C 13 174.32 0.1 . 1 . . . . 480 . . . 6305 1 267 . 1 1 65 65 PHE CA C 13 62.08 0.3 . 1 . . . . 480 . . . 6305 1 268 . 1 1 65 65 PHE CB C 13 40.89 0.3 . 1 . . . . 480 . . . 6305 1 269 . 1 1 66 66 LYS N N 15 124.79 0.1 . 1 . . . . 481 . . . 6305 1 270 . 1 1 66 66 LYS H H 1 6.11 0.02 . 1 . . . . 481 . . . 6305 1 271 . 1 1 66 66 LYS C C 13 173.77 0.1 . 1 . . . . 481 . . . 6305 1 272 . 1 1 66 66 LYS CA C 13 54.02 0.3 . 1 . . . . 481 . . . 6305 1 273 . 1 1 66 66 LYS CB C 13 36.53 0.3 . 1 . . . . 481 . . . 6305 1 274 . 1 1 67 67 ASP N N 15 118.73 0.1 . 1 . . . . 482 . . . 6305 1 275 . 1 1 67 67 ASP H H 1 8.42 0.02 . 1 . . . . 482 . . . 6305 1 276 . 1 1 67 67 ASP C C 13 175.67 0.1 . 1 . . . . 482 . . . 6305 1 277 . 1 1 67 67 ASP CA C 13 54.52 0.3 . 1 . . . . 482 . . . 6305 1 278 . 1 1 67 67 ASP CB C 13 40.37 0.3 . 1 . . . . 482 . . . 6305 1 279 . 1 1 68 68 GLU N N 15 121.99 0.1 . 1 . . . . 483 . . . 6305 1 280 . 1 1 68 68 GLU H H 1 7.61 0.02 . 1 . . . . 483 . . . 6305 1 281 . 1 1 68 68 GLU CA C 13 56.82 0.3 . 1 . . . . 483 . . . 6305 1 282 . 1 1 68 68 GLU CB C 13 30.99 0.3 . 1 . . . . 483 . . . 6305 1 283 . 1 1 69 69 ALA N N 15 128.02 0.1 . 1 . . . . 484 . . . 6305 1 284 . 1 1 69 69 ALA H H 1 8.62 0.02 . 1 . . . . 484 . . . 6305 1 285 . 1 1 69 69 ALA C C 13 178.8 0.1 . 1 . . . . 484 . . . 6305 1 286 . 1 1 69 69 ALA CA C 13 56.7 0.3 . 1 . . . . 484 . . . 6305 1 287 . 1 1 69 69 ALA CB C 13 19.13 0.3 . 1 . . . . 484 . . . 6305 1 288 . 1 1 70 70 THR N N 15 110.04 0.1 . 1 . . . . 485 . . . 6305 1 289 . 1 1 70 70 THR H H 1 8.43 0.02 . 1 . . . . 485 . . . 6305 1 290 . 1 1 70 70 THR C C 13 177.35 0.1 . 1 . . . . 485 . . . 6305 1 291 . 1 1 70 70 THR CA C 13 65.9 0.3 . 1 . . . . 485 . . . 6305 1 292 . 1 1 70 70 THR CB C 13 68.15 0.3 . 1 . . . . 485 . . . 6305 1 293 . 1 1 71 71 VAL N N 15 122.24 0.1 . 1 . . . . 486 . . . 6305 1 294 . 1 1 71 71 VAL H H 1 7.41 0.02 . 1 . . . . 486 . . . 6305 1 295 . 1 1 71 71 VAL C C 13 176.55 0.1 . 1 . . . . 486 . . . 6305 1 296 . 1 1 71 71 VAL CA C 13 66.22 0.3 . 1 . . . . 486 . . . 6305 1 297 . 1 1 71 71 VAL CB C 13 32.19 0.3 . 1 . . . . 486 . . . 6305 1 298 . 1 1 72 72 THR N N 15 120.67 0.1 . 1 . . . . 487 . . . 6305 1 299 . 1 1 72 72 THR H H 1 8.53 0.02 . 1 . . . . 487 . . . 6305 1 300 . 1 1 72 72 THR C C 13 178.32 0.1 . 1 . . . . 487 . . . 6305 1 301 . 1 1 72 72 THR CA C 13 60.47 0.3 . 1 . . . . 487 . . . 6305 1 302 . 1 1 72 72 THR CB C 13 29.97 0.3 . 1 . . . . 487 . . . 6305 1 303 . 1 1 73 73 MET N N 15 115.31 0.1 . 1 . . . . 488 . . . 6305 1 304 . 1 1 73 73 MET H H 1 8.08 0.02 . 1 . . . . 488 . . . 6305 1 305 . 1 1 73 73 MET C C 13 177.22 0.1 . 1 . . . . 488 . . . 6305 1 306 . 1 1 73 73 MET CA C 13 58.71 0.3 . 1 . . . . 488 . . . 6305 1 307 . 1 1 73 73 MET CB C 13 32.45 0.3 . 1 . . . . 488 . . . 6305 1 308 . 1 1 74 74 ALA N N 15 120.63 3.1 . 1 . . . . 489 . . . 6305 1 309 . 1 1 74 74 ALA H H 1 7.3 0.02 . 1 . . . . 489 . . . 6305 1 310 . 1 1 74 74 ALA C C 13 181.35 0.1 . 1 . . . . 489 . . . 6305 1 311 . 1 1 74 74 ALA CA C 13 54.94 0.3 . 1 . . . . 489 . . . 6305 1 312 . 1 1 74 74 ALA CB C 13 18.23 0.3 . 1 . . . . 489 . . . 6305 1 313 . 1 1 75 75 VAL N N 15 119.23 0.1 . 1 . . . . 490 . . . 6305 1 314 . 1 1 75 75 VAL H H 1 8.61 0.02 . 1 . . . . 490 . . . 6305 1 315 . 1 1 75 75 VAL C C 13 177.32 0.1 . 1 . . . . 490 . . . 6305 1 316 . 1 1 75 75 VAL CA C 13 67.22 0.3 . 1 . . . . 490 . . . 6305 1 317 . 1 1 75 75 VAL CB C 13 31.67 0.3 . 1 . . . . 490 . . . 6305 1 318 . 1 1 76 76 GLN N N 15 118.66 0.1 . 1 . . . . 491 . . . 6305 1 319 . 1 1 76 76 GLN H H 1 8.38 0.02 . 1 . . . . 491 . . . 6305 1 320 . 1 1 76 76 GLN C C 13 177.04 0.1 . 1 . . . . 491 . . . 6305 1 321 . 1 1 76 76 GLN CA C 13 60.44 0.3 . 1 . . . . 491 . . . 6305 1 322 . 1 1 76 76 GLN CB C 13 27.27 0.3 . 1 . . . . 491 . . . 6305 1 323 . 1 1 77 77 ASP N N 15 117.37 0.1 . 1 . . . . 492 . . . 6305 1 324 . 1 1 77 77 ASP H H 1 8.61 0.02 . 1 . . . . 492 . . . 6305 1 325 . 1 1 77 77 ASP C C 13 179.38 0.1 . 1 . . . . 492 . . . 6305 1 326 . 1 1 77 77 ASP CA C 13 57.46 0.3 . 1 . . . . 492 . . . 6305 1 327 . 1 1 77 77 ASP CB C 13 40.1 0.3 . 1 . . . . 492 . . . 6305 1 328 . 1 1 78 78 ALA N N 15 123.05 0.1 . 1 . . . . 493 . . . 6305 1 329 . 1 1 78 78 ALA H H 1 7.67 0.02 . 1 . . . . 493 . . . 6305 1 330 . 1 1 78 78 ALA CA C 13 55.4 0.3 . 1 . . . . 493 . . . 6305 1 331 . 1 1 78 78 ALA CB C 13 18.25 0.3 . 1 . . . . 493 . . . 6305 1 332 . 1 1 79 79 VAL N N 15 119.26 0.1 . 1 . . . . 494 . . . 6305 1 333 . 1 1 79 79 VAL H H 1 8.64 0.02 . 1 . . . . 494 . . . 6305 1 334 . 1 1 79 79 VAL C C 13 177.03 0.1 . 1 . . . . 494 . . . 6305 1 335 . 1 1 79 79 VAL CA C 13 67.5 0.3 . 1 . . . . 494 . . . 6305 1 336 . 1 1 79 79 VAL CB C 13 31.67 0.3 . 1 . . . . 494 . . . 6305 1 337 . 1 1 80 80 ASP N N 15 119.06 0.1 . 1 . . . . 495 . . . 6305 1 338 . 1 1 80 80 ASP H H 1 8.57 0.02 . 1 . . . . 495 . . . 6305 1 339 . 1 1 80 80 ASP C C 13 177.94 0.1 . 1 . . . . 495 . . . 6305 1 340 . 1 1 80 80 ASP CA C 13 57.93 0.3 . 1 . . . . 495 . . . 6305 1 341 . 1 1 80 80 ASP CB C 13 40.04 0.3 . 1 . . . . 495 . . . 6305 1 342 . 1 1 81 81 ALA N N 15 121.4 0.1 . 1 . . . . 496 . . . 6305 1 343 . 1 1 81 81 ALA H H 1 8 0.02 . 1 . . . . 496 . . . 6305 1 344 . 1 1 81 81 ALA C C 13 180.46 0.1 . 1 . . . . 496 . . . 6305 1 345 . 1 1 81 81 ALA CA C 13 55.16 0.3 . 1 . . . . 496 . . . 6305 1 346 . 1 1 81 81 ALA CB C 13 19.16 0.3 . 1 . . . . 496 . . . 6305 1 347 . 1 1 82 82 LEU N N 15 118.45 0.1 . 1 . . . . 497 . . . 6305 1 348 . 1 1 82 82 LEU H H 1 7.98 0.02 . 1 . . . . 497 . . . 6305 1 349 . 1 1 82 82 LEU C C 13 177.21 0.1 . 1 . . . . 497 . . . 6305 1 350 . 1 1 82 82 LEU CA C 13 57.99 0.3 . 1 . . . . 497 . . . 6305 1 351 . 1 1 82 82 LEU CB C 13 43.04 0.3 . 1 . . . . 497 . . . 6305 1 352 . 1 1 83 83 MET N N 15 113.72 0.1 . 1 . . . . 498 . . . 6305 1 353 . 1 1 83 83 MET H H 1 8.69 0.02 . 1 . . . . 498 . . . 6305 1 354 . 1 1 83 83 MET C C 13 178.94 0.1 . 1 . . . . 498 . . . 6305 1 355 . 1 1 83 83 MET CA C 13 54.72 0.3 . 1 . . . . 498 . . . 6305 1 356 . 1 1 83 83 MET CB C 13 28.34 0.3 . 1 . . . . 498 . . . 6305 1 357 . 1 1 84 84 GLN N N 15 119.78 0.1 . 1 . . . . 499 . . . 6305 1 358 . 1 1 84 84 GLN H H 1 8.31 0.02 . 1 . . . . 499 . . . 6305 1 359 . 1 1 84 84 GLN C C 13 178.16 0.1 . 1 . . . . 499 . . . 6305 1 360 . 1 1 84 84 GLN CA C 13 59.67 0.3 . 1 . . . . 499 . . . 6305 1 361 . 1 1 84 84 GLN CB C 13 28.41 0.3 . 1 . . . . 499 . . . 6305 1 362 . 1 1 85 85 LYS N N 15 117.35 0.1 . 1 . . . . 500 . . . 6305 1 363 . 1 1 85 85 LYS H H 1 6.74 0.02 . 1 . . . . 500 . . . 6305 1 364 . 1 1 85 85 LYS C C 13 179.13 0.1 . 1 . . . . 500 . . . 6305 1 365 . 1 1 85 85 LYS CA C 13 59.24 0.3 . 1 . . . . 500 . . . 6305 1 366 . 1 1 85 85 LYS CB C 13 32.65 0.3 . 1 . . . . 500 . . . 6305 1 367 . 1 1 86 86 ALA N N 15 121.73 0.1 . 1 . . . . 501 . . . 6305 1 368 . 1 1 86 86 ALA H H 1 7.88 0.02 . 1 . . . . 501 . . . 6305 1 369 . 1 1 86 86 ALA C C 13 178.35 0.1 . 1 . . . . 501 . . . 6305 1 370 . 1 1 86 86 ALA CA C 13 55.34 0.3 . 1 . . . . 501 . . . 6305 1 371 . 1 1 86 86 ALA CB C 13 17.33 0.3 . 1 . . . . 501 . . . 6305 1 372 . 1 1 87 87 PHE N N 15 111.76 0.1 . 1 . . . . 502 . . . 6305 1 373 . 1 1 87 87 PHE H H 1 8.47 0.02 . 1 . . . . 502 . . . 6305 1 374 . 1 1 87 87 PHE C C 13 177.38 0.1 . 1 . . . . 502 . . . 6305 1 375 . 1 1 87 87 PHE CA C 13 60.34 0.3 . 1 . . . . 502 . . . 6305 1 376 . 1 1 87 87 PHE CB C 13 38.14 0.3 . 1 . . . . 502 . . . 6305 1 377 . 1 1 88 88 ASN N N 15 115.41 0.1 . 1 . . . . 503 . . . 6305 1 378 . 1 1 88 88 ASN H H 1 7.34 0.02 . 1 . . . . 503 . . . 6305 1 379 . 1 1 88 88 ASN C C 13 175.23 0.1 . 1 . . . . 503 . . . 6305 1 380 . 1 1 88 88 ASN CA C 13 53.81 0.3 . 1 . . . . 503 . . . 6305 1 381 . 1 1 88 88 ASN CB C 13 39.13 0.3 . 1 . . . . 503 . . . 6305 1 382 . 1 1 89 89 SER N N 15 115.72 0.1 . 1 . . . . 504 . . . 6305 1 383 . 1 1 89 89 SER H H 1 7.61 0.02 . 1 . . . . 504 . . . 6305 1 384 . 1 1 89 89 SER CA C 13 57.63 0.3 . 1 . . . . 504 . . . 6305 1 385 . 1 1 89 89 SER CB C 13 63.72 0.3 . 1 . . . . 504 . . . 6305 1 386 . 1 1 90 90 SER C C 13 174.53 0.1 . 1 . . . . 505 . . . 6305 1 387 . 1 1 90 90 SER CA C 13 63.13 0.3 . 1 . . . . 505 . . . 6305 1 388 . 1 1 90 90 SER CB C 13 60.74 0.3 . 1 . . . . 505 . . . 6305 1 389 . 1 1 91 91 SER N N 15 118.21 0.1 . 1 . . . . 506 . . . 6305 1 390 . 1 1 91 91 SER H H 1 8.32 0.02 . 1 . . . . 506 . . . 6305 1 391 . 1 1 91 91 SER C C 13 173.92 0.1 . 1 . . . . 506 . . . 6305 1 392 . 1 1 91 91 SER CA C 13 58.56 0.3 . 1 . . . . 506 . . . 6305 1 393 . 1 1 91 91 SER CB C 13 63.8 0.3 . 1 . . . . 506 . . . 6305 1 394 . 1 1 92 92 PHE N N 15 124 0.1 . 1 . . . . 507 . . . 6305 1 395 . 1 1 92 92 PHE H H 1 7.54 0.02 . 1 . . . . 507 . . . 6305 1 396 . 1 1 92 92 PHE C C 13 174.22 0.1 . 1 . . . . 507 . . . 6305 1 397 . 1 1 92 92 PHE CA C 13 58.69 0.3 . 1 . . . . 507 . . . 6305 1 398 . 1 1 92 92 PHE CB C 13 40.56 0.3 . 1 . . . . 507 . . . 6305 1 399 . 1 1 93 93 ASN N N 15 126.9 0.1 . 1 . . . . 508 . . . 6305 1 400 . 1 1 93 93 ASN H H 1 7.55 0.02 . 1 . . . . 508 . . . 6305 1 401 . 1 1 93 93 ASN C C 13 175.79 0.1 . 1 . . . . 508 . . . 6305 1 402 . 1 1 93 93 ASN CA C 13 52.16 0.3 . 1 . . . . 508 . . . 6305 1 403 . 1 1 93 93 ASN CB C 13 38.59 0.3 . 1 . . . . 508 . . . 6305 1 404 . 1 1 94 94 SER N N 15 122.44 0.1 . 1 . . . . 509 . . . 6305 1 405 . 1 1 94 94 SER H H 1 8.64 0.02 . 1 . . . . 509 . . . 6305 1 406 . 1 1 94 94 SER C C 13 175.48 0.1 . 1 . . . . 509 . . . 6305 1 407 . 1 1 94 94 SER CA C 13 61.65 0.3 . 1 . . . . 509 . . . 6305 1 408 . 1 1 94 94 SER CB C 13 63.08 0.3 . 1 . . . . 509 . . . 6305 1 409 . 1 1 95 95 ASN N N 15 121.68 0.1 . 1 . . . . 510 . . . 6305 1 410 . 1 1 95 95 ASN H H 1 8.19 0.02 . 1 . . . . 510 . . . 6305 1 411 . 1 1 95 95 ASN CA C 13 57.59 0.3 . 1 . . . . 510 . . . 6305 1 412 . 1 1 95 95 ASN CB C 13 38.65 0.3 . 1 . . . . 510 . . . 6305 1 413 . 1 1 96 96 THR N N 15 119.23 0.1 . 1 . . . . 511 . . . 6305 1 414 . 1 1 96 96 THR H H 1 8.09 0.02 . 1 . . . . 511 . . . 6305 1 415 . 1 1 96 96 THR C C 13 175.62 0.1 . 1 . . . . 511 . . . 6305 1 416 . 1 1 96 96 THR CA C 13 66.36 0.3 . 1 . . . . 511 . . . 6305 1 417 . 1 1 96 96 THR CB C 13 68.16 0.3 . 1 . . . . 511 . . . 6305 1 418 . 1 1 97 97 PHE N N 15 119.28 0.1 . 1 . . . . 512 . . . 6305 1 419 . 1 1 97 97 PHE H H 1 7.85 0.02 . 1 . . . . 512 . . . 6305 1 420 . 1 1 97 97 PHE C C 13 174.43 0.1 . 1 . . . . 512 . . . 6305 1 421 . 1 1 97 97 PHE CA C 13 61.69 0.3 . 1 . . . . 512 . . . 6305 1 422 . 1 1 97 97 PHE CB C 13 39.46 0.3 . 1 . . . . 512 . . . 6305 1 423 . 1 1 98 98 LEU N N 15 118.51 0.1 . 1 . . . . 513 . . . 6305 1 424 . 1 1 98 98 LEU H H 1 7.99 0.02 . 1 . . . . 513 . . . 6305 1 425 . 1 1 98 98 LEU C C 13 177.88 0.1 . 1 . . . . 513 . . . 6305 1 426 . 1 1 98 98 LEU CA C 13 57.8 0.3 . 1 . . . . 513 . . . 6305 1 427 . 1 1 98 98 LEU CB C 13 41.56 0.3 . 1 . . . . 513 . . . 6305 1 428 . 1 1 99 99 THR N N 15 113.15 0.1 . 1 . . . . 514 . . . 6305 1 429 . 1 1 99 99 THR H H 1 8.14 0.02 . 1 . . . . 514 . . . 6305 1 430 . 1 1 99 99 THR C C 13 175.95 0.1 . 1 . . . . 514 . . . 6305 1 431 . 1 1 99 99 THR CA C 13 67.2 0.3 . 1 . . . . 514 . . . 6305 1 432 . 1 1 99 99 THR CB C 13 68.83 0.3 . 1 . . . . 514 . . . 6305 1 433 . 1 1 100 100 ARG N N 15 117.06 0.1 . 1 . . . . 515 . . . 6305 1 434 . 1 1 100 100 ARG H H 1 8.31 0.02 . 1 . . . . 515 . . . 6305 1 435 . 1 1 100 100 ARG C C 13 178.75 0.1 . 1 . . . . 515 . . . 6305 1 436 . 1 1 100 100 ARG CA C 13 56.05 0.3 . 1 . . . . 515 . . . 6305 1 437 . 1 1 100 100 ARG CB C 13 27.13 0.3 . 1 . . . . 515 . . . 6305 1 438 . 1 1 101 101 LEU N N 15 122.91 0.1 . 1 . . . . 516 . . . 6305 1 439 . 1 1 101 101 LEU H H 1 8.43 0.02 . 1 . . . . 516 . . . 6305 1 440 . 1 1 101 101 LEU C C 13 178.08 0.1 . 1 . . . . 516 . . . 6305 1 441 . 1 1 101 101 LEU CA C 13 58.62 0.3 . 1 . . . . 516 . . . 6305 1 442 . 1 1 101 101 LEU CB C 13 40.81 0.3 . 1 . . . . 516 . . . 6305 1 443 . 1 1 102 102 LEU N N 15 117.55 0.1 . 1 . . . . 517 . . . 6305 1 444 . 1 1 102 102 LEU H H 1 7.88 0.02 . 1 . . . . 517 . . . 6305 1 445 . 1 1 102 102 LEU C C 13 176.53 0.1 . 1 . . . . 517 . . . 6305 1 446 . 1 1 102 102 LEU CA C 13 58.2 0.3 . 1 . . . . 517 . . . 6305 1 447 . 1 1 102 102 LEU CB C 13 41.09 0.3 . 1 . . . . 517 . . . 6305 1 448 . 1 1 103 103 VAL N N 15 121.93 0.1 . 1 . . . . 518 . . . 6305 1 449 . 1 1 103 103 VAL H H 1 8.18 0.02 . 1 . . . . 518 . . . 6305 1 450 . 1 1 103 103 VAL C C 13 180.89 0.1 . 1 . . . . 518 . . . 6305 1 451 . 1 1 103 103 VAL CA C 13 63.12 0.3 . 1 . . . . 518 . . . 6305 1 452 . 1 1 103 103 VAL CB C 13 31.99 0.3 . 1 . . . . 518 . . . 6305 1 453 . 1 1 104 104 HIS N N 15 121.26 0.1 . 1 . . . . 519 . . . 6305 1 454 . 1 1 104 104 HIS H H 1 8.5 0.02 . 1 . . . . 519 . . . 6305 1 455 . 1 1 104 104 HIS C C 13 176.84 0.1 . 1 . . . . 519 . . . 6305 1 456 . 1 1 104 104 HIS CA C 13 61.04 0.3 . 1 . . . . 519 . . . 6305 1 457 . 1 1 104 104 HIS CB C 13 31.5 0.3 . 1 . . . . 519 . . . 6305 1 458 . 1 1 105 105 MET N N 15 114.38 0.1 . 1 . . . . 520 . . . 6305 1 459 . 1 1 105 105 MET H H 1 8.07 0.02 . 1 . . . . 520 . . . 6305 1 460 . 1 1 105 105 MET C C 13 175.04 0.1 . 1 . . . . 520 . . . 6305 1 461 . 1 1 105 105 MET CA C 13 57.33 0.3 . 1 . . . . 520 . . . 6305 1 462 . 1 1 105 105 MET CB C 13 35.11 0.3 . 1 . . . . 520 . . . 6305 1 463 . 1 1 106 106 GLY N N 15 105.71 0.1 . 1 . . . . 521 . . . 6305 1 464 . 1 1 106 106 GLY H H 1 7.91 0.02 . 1 . . . . 521 . . . 6305 1 465 . 1 1 106 106 GLY C C 13 174.57 0.1 . 1 . . . . 521 . . . 6305 1 466 . 1 1 106 106 GLY CA C 13 45.54 0.3 . 1 . . . . 521 . . . 6305 1 467 . 1 1 107 107 LEU N N 15 117.09 0.3 . 1 . . . . 522 . . . 6305 1 468 . 1 1 107 107 LEU H H 1 8.05 0.02 . 1 . . . . 522 . . . 6305 1 469 . 1 1 107 107 LEU C C 13 175.05 0.1 . 1 . . . . 522 . . . 6305 1 470 . 1 1 107 107 LEU CA C 13 55.05 0.3 . 1 . . . . 522 . . . 6305 1 471 . 1 1 107 107 LEU CB C 13 42.43 0.3 . 1 . . . . 522 . . . 6305 1 472 . 1 1 108 108 LEU N N 15 120.36 0.1 . 1 . . . . 523 . . . 6305 1 473 . 1 1 108 108 LEU H H 1 6.86 0.02 . 1 . . . . 523 . . . 6305 1 474 . 1 1 108 108 LEU C C 13 174.97 0.1 . 1 . . . . 523 . . . 6305 1 475 . 1 1 108 108 LEU CA C 13 53.51 0.3 . 1 . . . . 523 . . . 6305 1 476 . 1 1 108 108 LEU CB C 13 46.11 0.3 . 1 . . . . 523 . . . 6305 1 477 . 1 1 109 109 LYS N N 15 124.76 0.1 . 1 . . . . 524 . . . 6305 1 478 . 1 1 109 109 LYS H H 1 8.33 0.02 . 1 . . . . 524 . . . 6305 1 479 . 1 1 109 109 LYS CA C 13 56.31 0.3 . 1 . . . . 524 . . . 6305 1 480 . 1 1 109 109 LYS CB C 13 33.24 0.3 . 1 . . . . 524 . . . 6305 1 481 . 1 1 110 110 SER N N 15 116.92 0.1 . 1 . . . . 525 . . . 6305 1 482 . 1 1 110 110 SER H H 1 8.24 0.02 . 1 . . . . 525 . . . 6305 1 483 . 1 1 110 110 SER CA C 13 56.9 0.3 . 1 . . . . 525 . . . 6305 1 484 . 1 1 110 110 SER CB C 13 65.75 0.3 . 1 . . . . 525 . . . 6305 1 485 . 1 1 111 111 GLU N N 15 120.96 0.1 . 1 . . . . 526 . . . 6305 1 486 . 1 1 111 111 GLU H H 1 8.79 0.02 . 1 . . . . 526 . . . 6305 1 487 . 1 1 111 111 GLU C C 13 176.74 0.1 . 1 . . . . 526 . . . 6305 1 488 . 1 1 111 111 GLU CA C 13 57.51 0.3 . 1 . . . . 526 . . . 6305 1 489 . 1 1 111 111 GLU CB C 13 29.76 0.3 . 1 . . . . 526 . . . 6305 1 490 . 1 1 112 112 ASP N N 15 117.57 0.1 . 1 . . . . 527 . . . 6305 1 491 . 1 1 112 112 ASP H H 1 8.52 0.02 . 1 . . . . 527 . . . 6305 1 492 . 1 1 112 112 ASP C C 13 175.35 0.1 . 1 . . . . 527 . . . 6305 1 493 . 1 1 112 112 ASP CA C 13 53.17 0.3 . 1 . . . . 527 . . . 6305 1 494 . 1 1 112 112 ASP CB C 13 40.62 0.3 . 1 . . . . 527 . . . 6305 1 495 . 1 1 113 113 LYS N N 15 120.58 0.1 . 1 . . . . 528 . . . 6305 1 496 . 1 1 113 113 LYS H H 1 8.18 0.02 . 1 . . . . 528 . . . 6305 1 497 . 1 1 113 113 LYS C C 13 176.15 0.1 . 1 . . . . 528 . . . 6305 1 498 . 1 1 113 113 LYS CA C 13 56.43 0.3 . 1 . . . . 528 . . . 6305 1 499 . 1 1 113 113 LYS CB C 13 31.32 0.3 . 1 . . . . 528 . . . 6305 1 500 . 1 1 114 114 VAL N N 15 121.89 0.1 . 1 . . . . 529 . . . 6305 1 501 . 1 1 114 114 VAL H H 1 7.75 0.02 . 1 . . . . 529 . . . 6305 1 502 . 1 1 114 114 VAL C C 13 175.67 0.1 . 1 . . . . 529 . . . 6305 1 503 . 1 1 114 114 VAL CA C 13 61.31 0.3 . 1 . . . . 529 . . . 6305 1 504 . 1 1 114 114 VAL CB C 13 33.78 0.3 . 1 . . . . 529 . . . 6305 1 505 . 1 1 115 115 LYS N N 15 127.23 0.1 . 1 . . . . 530 . . . 6305 1 506 . 1 1 115 115 LYS H H 1 8.42 0.02 . 1 . . . . 530 . . . 6305 1 507 . 1 1 115 115 LYS C C 13 175.37 0.1 . 1 . . . . 530 . . . 6305 1 508 . 1 1 115 115 LYS CA C 13 55.59 0.3 . 1 . . . . 530 . . . 6305 1 509 . 1 1 115 115 LYS CB C 13 32.14 0.3 . 1 . . . . 530 . . . 6305 1 510 . 1 1 116 116 ALA N N 15 128.74 0.1 . 1 . . . . 531 . . . 6305 1 511 . 1 1 116 116 ALA H H 1 8.34 0.02 . 1 . . . . 531 . . . 6305 1 512 . 1 1 116 116 ALA CA C 13 52.07 0.3 . 1 . . . . 531 . . . 6305 1 513 . 1 1 116 116 ALA CB C 13 19.42 0.3 . 1 . . . . 531 . . . 6305 1 514 . 1 1 117 117 ILE N N 15 118.94 0.1 . 1 . . . . 532 . . . 6305 1 515 . 1 1 117 117 ILE H H 1 8.02 0.02 . 1 . . . . 532 . . . 6305 1 516 . 1 1 117 117 ILE C C 13 176.82 0.1 . 1 . . . . 532 . . . 6305 1 517 . 1 1 117 117 ILE CA C 13 61.18 0.3 . 1 . . . . 532 . . . 6305 1 518 . 1 1 117 117 ILE CB C 13 38.71 0.3 . 1 . . . . 532 . . . 6305 1 519 . 1 1 118 118 ALA N N 15 124.54 0.1 . 1 . . . . 533 . . . 6305 1 520 . 1 1 118 118 ALA H H 1 8.16 0.02 . 1 . . . . 533 . . . 6305 1 521 . 1 1 118 118 ALA C C 13 177.89 0.1 . 1 . . . . 533 . . . 6305 1 522 . 1 1 118 118 ALA CA C 13 54.03 0.3 . 1 . . . . 533 . . . 6305 1 523 . 1 1 118 118 ALA CB C 13 19.84 0.3 . 1 . . . . 533 . . . 6305 1 524 . 1 1 119 119 ASN N N 15 114.88 0.1 . 1 . . . . 534 . . . 6305 1 525 . 1 1 119 119 ASN H H 1 7.67 0.02 . 1 . . . . 534 . . . 6305 1 526 . 1 1 119 119 ASN C C 13 175.04 0.1 . 1 . . . . 534 . . . 6305 1 527 . 1 1 119 119 ASN CA C 13 52.3 0.3 . 1 . . . . 534 . . . 6305 1 528 . 1 1 119 119 ASN CB C 13 39.59 0.3 . 1 . . . . 534 . . . 6305 1 529 . 1 1 120 120 LEU N N 15 123.41 0.1 . 1 . . . . 535 . . . 6305 1 530 . 1 1 120 120 LEU H H 1 8.8 0.02 . 1 . . . . 535 . . . 6305 1 531 . 1 1 120 120 LEU C C 13 176.2 0.1 . 1 . . . . 535 . . . 6305 1 532 . 1 1 120 120 LEU CA C 13 55.31 0.3 . 1 . . . . 535 . . . 6305 1 533 . 1 1 120 120 LEU CB C 13 42.76 0.3 . 1 . . . . 535 . . . 6305 1 534 . 1 1 121 121 TYR N N 15 122.25 0.1 . 1 . . . . 536 . . . 6305 1 535 . 1 1 121 121 TYR H H 1 8.21 0.02 . 1 . . . . 536 . . . 6305 1 536 . 1 1 121 121 TYR CA C 13 63.32 0.3 . 1 . . . . 536 . . . 6305 1 537 . 1 1 121 121 TYR CB C 13 38.95 0.3 . 1 . . . . 536 . . . 6305 1 538 . 1 1 122 122 GLY N N 15 104.83 0.1 . 1 . . . . 537 . . . 6305 1 539 . 1 1 122 122 GLY H H 1 8.89 0.02 . 1 . . . . 537 . . . 6305 1 540 . 1 1 122 122 GLY CA C 13 48.71 0.3 . 1 . . . . 537 . . . 6305 1 541 . 1 1 123 123 PRO C C 13 177.96 0.1 . 1 . . . . 538 . . . 6305 1 542 . 1 1 123 123 PRO CA C 13 66.08 0.3 . 1 . . . . 538 . . . 6305 1 543 . 1 1 123 123 PRO CB C 13 31.87 0.3 . 1 . . . . 538 . . . 6305 1 544 . 1 1 124 124 LEU N N 15 115.26 0.1 . 1 . . . . 539 . . . 6305 1 545 . 1 1 124 124 LEU H H 1 8.27 0.02 . 1 . . . . 539 . . . 6305 1 546 . 1 1 124 124 LEU C C 13 179.29 0.1 . 1 . . . . 539 . . . 6305 1 547 . 1 1 124 124 LEU CA C 13 58.44 0.3 . 1 . . . . 539 . . . 6305 1 548 . 1 1 124 124 LEU CB C 13 42.45 0.3 . 1 . . . . 539 . . . 6305 1 549 . 1 1 125 125 MET N N 15 118.43 0.1 . 1 . . . . 540 . . . 6305 1 550 . 1 1 125 125 MET H H 1 8.07 0.02 . 1 . . . . 540 . . . 6305 1 551 . 1 1 125 125 MET C C 13 180.74 0.1 . 1 . . . . 540 . . . 6305 1 552 . 1 1 125 125 MET CA C 13 56.19 0.3 . 1 . . . . 540 . . . 6305 1 553 . 1 1 125 125 MET CB C 13 28.82 0.3 . 1 . . . . 540 . . . 6305 1 554 . 1 1 126 126 ALA N N 15 124.89 0.1 . 1 . . . . 541 . . . 6305 1 555 . 1 1 126 126 ALA H H 1 8.91 0.02 . 1 . . . . 541 . . . 6305 1 556 . 1 1 126 126 ALA C C 13 179.91 0.1 . 1 . . . . 541 . . . 6305 1 557 . 1 1 126 126 ALA CA C 13 55.33 0.3 . 1 . . . . 541 . . . 6305 1 558 . 1 1 126 126 ALA CB C 13 19.54 0.3 . 1 . . . . 541 . . . 6305 1 559 . 1 1 127 127 LEU N N 15 120.87 0.1 . 1 . . . . 542 . . . 6305 1 560 . 1 1 127 127 LEU H H 1 8.75 0.02 . 1 . . . . 542 . . . 6305 1 561 . 1 1 127 127 LEU C C 13 176.96 0.1 . 1 . . . . 542 . . . 6305 1 562 . 1 1 127 127 LEU CA C 13 58.33 0.3 . 1 . . . . 542 . . . 6305 1 563 . 1 1 127 127 LEU CB C 13 42.67 0.3 . 1 . . . . 542 . . . 6305 1 564 . 1 1 128 128 ASN N N 15 116.78 0.1 . 1 . . . . 543 . . . 6305 1 565 . 1 1 128 128 ASN H H 1 8.25 0.02 . 1 . . . . 543 . . . 6305 1 566 . 1 1 128 128 ASN C C 13 176.42 0.1 . 1 . . . . 543 . . . 6305 1 567 . 1 1 128 128 ASN CA C 13 57.15 0.3 . 1 . . . . 543 . . . 6305 1 568 . 1 1 128 128 ASN CB C 13 39 0.3 . 1 . . . . 543 . . . 6305 1 569 . 1 1 129 129 HIS N N 15 115.21 0.1 . 1 . . . . 544 . . . 6305 1 570 . 1 1 129 129 HIS H H 1 7.34 0.02 . 1 . . . . 544 . . . 6305 1 571 . 1 1 129 129 HIS C C 13 177.68 0.1 . 1 . . . . 544 . . . 6305 1 572 . 1 1 129 129 HIS CA C 13 60.35 0.3 . 1 . . . . 544 . . . 6305 1 573 . 1 1 129 129 HIS CB C 13 30.45 0.3 . 1 . . . . 544 . . . 6305 1 574 . 1 1 130 130 MET N N 15 120.03 0.1 . 1 . . . . 545 . . . 6305 1 575 . 1 1 130 130 MET H H 1 8.53 0.02 . 1 . . . . 545 . . . 6305 1 576 . 1 1 130 130 MET C C 13 177.59 0.1 . 1 . . . . 545 . . . 6305 1 577 . 1 1 130 130 MET CA C 13 59.76 0.3 . 1 . . . . 545 . . . 6305 1 578 . 1 1 130 130 MET CB C 13 35.06 0.3 . 1 . . . . 545 . . . 6305 1 579 . 1 1 131 131 VAL N N 15 109.84 0.1 . 1 . . . . 546 . . . 6305 1 580 . 1 1 131 131 VAL H H 1 7.95 0.02 . 1 . . . . 546 . . . 6305 1 581 . 1 1 131 131 VAL C C 13 174.87 0.1 . 1 . . . . 546 . . . 6305 1 582 . 1 1 131 131 VAL CA C 13 63.19 0.3 . 1 . . . . 546 . . . 6305 1 583 . 1 1 131 131 VAL CB C 13 30.67 0.3 . 1 . . . . 546 . . . 6305 1 584 . 1 1 132 132 GLN N N 15 113.21 0.1 . 1 . . . . 547 . . . 6305 1 585 . 1 1 132 132 GLN H H 1 6.69 0.02 . 1 . . . . 547 . . . 6305 1 586 . 1 1 132 132 GLN C C 13 176.44 0.1 . 1 . . . . 547 . . . 6305 1 587 . 1 1 132 132 GLN CA C 13 55.68 0.3 . 1 . . . . 547 . . . 6305 1 588 . 1 1 132 132 GLN CB C 13 30.53 0.3 . 1 . . . . 547 . . . 6305 1 589 . 1 1 133 133 GLN N N 15 117.24 0.1 . 1 . . . . 548 . . . 6305 1 590 . 1 1 133 133 GLN H H 1 7.41 0.02 . 1 . . . . 548 . . . 6305 1 591 . 1 1 133 133 GLN C C 13 178.12 0.1 . 1 . . . . 548 . . . 6305 1 592 . 1 1 133 133 GLN CA C 13 53.51 0.3 . 1 . . . . 548 . . . 6305 1 593 . 1 1 133 133 GLN CB C 13 29.32 0.3 . 1 . . . . 548 . . . 6305 1 594 . 1 1 134 134 ASP N N 15 122.1 0.1 . 1 . . . . 549 . . . 6305 1 595 . 1 1 134 134 ASP H H 1 8.81 0.02 . 1 . . . . 549 . . . 6305 1 596 . 1 1 134 134 ASP C C 13 176.64 0.1 . 1 . . . . 549 . . . 6305 1 597 . 1 1 134 134 ASP CA C 13 56.64 0.3 . 1 . . . . 549 . . . 6305 1 598 . 1 1 134 134 ASP CB C 13 40.22 0.3 . 1 . . . . 549 . . . 6305 1 599 . 1 1 135 135 TYR N N 15 111.21 0.1 . 1 . . . . 550 . . . 6305 1 600 . 1 1 135 135 TYR H H 1 6.65 0.02 . 1 . . . . 550 . . . 6305 1 601 . 1 1 135 135 TYR C C 13 175.2 0.1 . 1 . . . . 550 . . . 6305 1 602 . 1 1 135 135 TYR CA C 13 56.44 0.3 . 1 . . . . 550 . . . 6305 1 603 . 1 1 135 135 TYR CB C 13 37.29 0.3 . 1 . . . . 550 . . . 6305 1 604 . 1 1 136 136 PHE N N 15 125.87 0.1 . 1 . . . . 551 . . . 6305 1 605 . 1 1 136 136 PHE H H 1 7.04 0.02 . 1 . . . . 551 . . . 6305 1 606 . 1 1 136 136 PHE CA C 13 56.09 0.3 . 1 . . . . 551 . . . 6305 1 607 . 1 1 136 136 PHE CB C 13 39.85 0.3 . 1 . . . . 551 . . . 6305 1 608 . 1 1 137 137 PRO CA C 13 62.31 0.3 . 1 . . . . 552 . . . 6305 1 609 . 1 1 137 137 PRO CB C 13 30.58 0.3 . 1 . . . . 552 . . . 6305 1 610 . 1 1 138 138 LYS N N 15 126.57 0.1 . 1 . . . . 553 . . . 6305 1 611 . 1 1 138 138 LYS H H 1 8.33 0.02 . 1 . . . . 553 . . . 6305 1 612 . 1 1 138 138 LYS C C 13 179.31 0.1 . 1 . . . . 553 . . . 6305 1 613 . 1 1 138 138 LYS CA C 13 59.27 0.3 . 1 . . . . 553 . . . 6305 1 614 . 1 1 138 138 LYS CB C 13 31.6 0.3 . 1 . . . . 553 . . . 6305 1 615 . 1 1 139 139 ALA N N 15 120.87 0.1 . 1 . . . . 554 . . . 6305 1 616 . 1 1 139 139 ALA H H 1 8.55 0.02 . 1 . . . . 554 . . . 6305 1 617 . 1 1 139 139 ALA C C 13 178.86 0.1 . 1 . . . . 554 . . . 6305 1 618 . 1 1 139 139 ALA CA C 13 54.21 0.3 . 1 . . . . 554 . . . 6305 1 619 . 1 1 139 139 ALA CB C 13 18.54 0.3 . 1 . . . . 554 . . . 6305 1 620 . 1 1 140 140 LEU N N 15 114.16 0.1 . 1 . . . . 555 . . . 6305 1 621 . 1 1 140 140 LEU H H 1 7.72 0.02 . 1 . . . . 555 . . . 6305 1 622 . 1 1 140 140 LEU C C 13 178.34 0.1 . 1 . . . . 555 . . . 6305 1 623 . 1 1 140 140 LEU CA C 13 55.41 0.3 . 1 . . . . 555 . . . 6305 1 624 . 1 1 140 140 LEU CB C 13 42.72 0.3 . 1 . . . . 555 . . . 6305 1 625 . 1 1 141 141 ALA N N 15 121.79 0.1 . 1 . . . . 556 . . . 6305 1 626 . 1 1 141 141 ALA H H 1 7.9 0.02 . 1 . . . . 556 . . . 6305 1 627 . 1 1 141 141 ALA CA C 13 57.43 0.3 . 1 . . . . 556 . . . 6305 1 628 . 1 1 141 141 ALA CB C 13 16.8 0.3 . 1 . . . . 556 . . . 6305 1 629 . 1 1 142 142 PRO C C 13 179.28 0.1 . 1 . . . . 557 . . . 6305 1 630 . 1 1 142 142 PRO CA C 13 65.89 0.3 . 1 . . . . 557 . . . 6305 1 631 . 1 1 142 142 PRO CB C 13 31.04 0.3 . 1 . . . . 557 . . . 6305 1 632 . 1 1 143 143 LEU N N 15 118.39 0.1 . 1 . . . . 558 . . . 6305 1 633 . 1 1 143 143 LEU H H 1 6.94 0.02 . 1 . . . . 558 . . . 6305 1 634 . 1 1 143 143 LEU C C 13 178.37 0.1 . 1 . . . . 558 . . . 6305 1 635 . 1 1 143 143 LEU CA C 13 57.66 0.3 . 1 . . . . 558 . . . 6305 1 636 . 1 1 143 143 LEU CB C 13 41.88 0.3 . 1 . . . . 558 . . . 6305 1 637 . 1 1 144 144 LEU N N 15 117.85 0.1 . 1 . . . . 559 . . . 6305 1 638 . 1 1 144 144 LEU H H 1 7.67 0.02 . 1 . . . . 559 . . . 6305 1 639 . 1 1 144 144 LEU C C 13 178.62 0.1 . 1 . . . . 559 . . . 6305 1 640 . 1 1 144 144 LEU CA C 13 57.92 0.3 . 1 . . . . 559 . . . 6305 1 641 . 1 1 144 144 LEU CB C 13 42.37 0.3 . 1 . . . . 559 . . . 6305 1 642 . 1 1 145 145 LEU N N 15 118.98 0.1 . 1 . . . . 560 . . . 6305 1 643 . 1 1 145 145 LEU H H 1 8.58 0.02 . 1 . . . . 560 . . . 6305 1 644 . 1 1 145 145 LEU C C 13 178.45 0.1 . 1 . . . . 560 . . . 6305 1 645 . 1 1 145 145 LEU CA C 13 58.34 0.3 . 1 . . . . 560 . . . 6305 1 646 . 1 1 145 145 LEU CB C 13 42.2 0.3 . 1 . . . . 560 . . . 6305 1 647 . 1 1 146 146 ALA N N 15 120.3 0.1 . 1 . . . . 561 . . . 6305 1 648 . 1 1 146 146 ALA H H 1 7.66 0.02 . 1 . . . . 561 . . . 6305 1 649 . 1 1 146 146 ALA C C 13 179.31 0.1 . 1 . . . . 561 . . . 6305 1 650 . 1 1 146 146 ALA CA C 13 54.97 0.3 . 1 . . . . 561 . . . 6305 1 651 . 1 1 146 146 ALA CB C 13 17.93 0.3 . 1 . . . . 561 . . . 6305 1 652 . 1 1 147 147 PHE N N 15 113.1 0.1 . 1 . . . . 562 . . . 6305 1 653 . 1 1 147 147 PHE H H 1 7.56 0.02 . 1 . . . . 562 . . . 6305 1 654 . 1 1 147 147 PHE C C 13 177.59 0.1 . 1 . . . . 562 . . . 6305 1 655 . 1 1 147 147 PHE CA C 13 61.39 0.3 . 1 . . . . 562 . . . 6305 1 656 . 1 1 147 147 PHE CB C 13 40.6 0.3 . 1 . . . . 562 . . . 6305 1 657 . 1 1 148 148 VAL N N 15 115.43 0.1 . 1 . . . . 563 . . . 6305 1 658 . 1 1 148 148 VAL H H 1 8.3 0.02 . 1 . . . . 563 . . . 6305 1 659 . 1 1 148 148 VAL C C 13 175.71 0.1 . 1 . . . . 563 . . . 6305 1 660 . 1 1 148 148 VAL CA C 13 63.91 0.3 . 1 . . . . 563 . . . 6305 1 661 . 1 1 148 148 VAL CB C 13 31.82 0.3 . 1 . . . . 563 . . . 6305 1 662 . 1 1 149 149 THR N N 15 110.75 0.1 . 1 . . . . 564 . . . 6305 1 663 . 1 1 149 149 THR H H 1 7.59 0.02 . 1 . . . . 564 . . . 6305 1 664 . 1 1 149 149 THR C C 13 174.74 0.1 . 1 . . . . 564 . . . 6305 1 665 . 1 1 149 149 THR CA C 13 63.33 0.3 . 1 . . . . 564 . . . 6305 1 666 . 1 1 149 149 THR CB C 13 69.83 0.3 . 1 . . . . 564 . . . 6305 1 667 . 1 1 150 150 LYS N N 15 123.14 0.1 . 1 . . . . 565 . . . 6305 1 668 . 1 1 150 150 LYS H H 1 6.84 0.02 . 1 . . . . 565 . . . 6305 1 669 . 1 1 150 150 LYS CA C 13 54.72 0.3 . 1 . . . . 565 . . . 6305 1 670 . 1 1 150 150 LYS CB C 13 32.29 0.3 . 1 . . . . 565 . . . 6305 1 671 . 1 1 153 153 SER C C 13 176.06 0.1 . 1 . . . . 568 . . . 6305 1 672 . 1 1 153 153 SER CA C 13 61.67 0.3 . 1 . . . . 568 . . . 6305 1 673 . 1 1 153 153 SER CB C 13 62.98 0.3 . 1 . . . . 568 . . . 6305 1 674 . 1 1 154 154 ALA N N 15 125.27 0.1 . 1 . . . . 569 . . . 6305 1 675 . 1 1 154 154 ALA H H 1 8.44 0.02 . 1 . . . . 569 . . . 6305 1 676 . 1 1 154 154 ALA C C 13 179.94 0.1 . 1 . . . . 569 . . . 6305 1 677 . 1 1 154 154 ALA CA C 13 54.86 0.3 . 1 . . . . 569 . . . 6305 1 678 . 1 1 154 154 ALA CB C 13 18.55 0.3 . 1 . . . . 569 . . . 6305 1 679 . 1 1 155 155 LEU N N 15 116.49 0.1 . 1 . . . . 570 . . . 6305 1 680 . 1 1 155 155 LEU H H 1 7.9 0.02 . 1 . . . . 570 . . . 6305 1 681 . 1 1 155 155 LEU C C 13 178.72 0.1 . 1 . . . . 570 . . . 6305 1 682 . 1 1 155 155 LEU CA C 13 56.58 0.3 . 1 . . . . 570 . . . 6305 1 683 . 1 1 155 155 LEU CB C 13 42.36 0.3 . 1 . . . . 570 . . . 6305 1 684 . 1 1 156 156 GLU N N 15 117.92 0.1 . 1 . . . . 571 . . . 6305 1 685 . 1 1 156 156 GLU H H 1 7.84 0.02 . 1 . . . . 571 . . . 6305 1 686 . 1 1 156 156 GLU C C 13 178.5 0.1 . 1 . . . . 571 . . . 6305 1 687 . 1 1 156 156 GLU CA C 13 58.61 0.3 . 1 . . . . 571 . . . 6305 1 688 . 1 1 156 156 GLU CB C 13 29.5 0.3 . 1 . . . . 571 . . . 6305 1 689 . 1 1 157 157 SER N N 15 112.4 0.1 . 1 . . . . 572 . . . 6305 1 690 . 1 1 157 157 SER H H 1 7.77 0.02 . 1 . . . . 572 . . . 6305 1 691 . 1 1 157 157 SER C C 13 174.69 0.1 . 1 . . . . 572 . . . 6305 1 692 . 1 1 157 157 SER CA C 13 60.07 0.3 . 1 . . . . 572 . . . 6305 1 693 . 1 1 157 157 SER CB C 13 63.47 0.3 . 1 . . . . 572 . . . 6305 1 694 . 1 1 158 158 CYS N N 15 121.26 0.1 . 1 . . . . 573 . . . 6305 1 695 . 1 1 158 158 CYS H H 1 7.6 0.02 . 1 . . . . 573 . . . 6305 1 696 . 1 1 158 158 CYS C C 13 175.34 0.1 . 1 . . . . 573 . . . 6305 1 697 . 1 1 158 158 CYS CA C 13 56.61 0.3 . 1 . . . . 573 . . . 6305 1 698 . 1 1 158 158 CYS CB C 13 27.05 0.3 . 1 . . . . 573 . . . 6305 1 699 . 1 1 159 159 SER N N 15 115.68 0.1 . 1 . . . . 574 . . . 6305 1 700 . 1 1 159 159 SER H H 1 7.78 0.02 . 1 . . . . 574 . . . 6305 1 701 . 1 1 159 159 SER CA C 13 61.23 0.3 . 1 . . . . 574 . . . 6305 1 702 . 1 1 160 160 PHE N N 15 123.71 0.1 . 1 . . . . 575 . . . 6305 1 703 . 1 1 160 160 PHE H H 1 8.8 0.02 . 1 . . . . 575 . . . 6305 1 704 . 1 1 160 160 PHE CA C 13 54.96 0.3 . 1 . . . . 575 . . . 6305 1 705 . 1 1 160 160 PHE CB C 13 42.51 0.3 . 1 . . . . 575 . . . 6305 1 706 . 1 1 161 161 ALA N N 15 123.8 0.1 . 1 . . . . 576 . . . 6305 1 707 . 1 1 161 161 ALA H H 1 8.13 0.02 . 1 . . . . 576 . . . 6305 1 708 . 1 1 161 161 ALA C C 13 178.93 0.1 . 1 . . . . 576 . . . 6305 1 709 . 1 1 161 161 ALA CA C 13 54.85 0.3 . 1 . . . . 576 . . . 6305 1 710 . 1 1 161 161 ALA CB C 13 19.72 0.3 . 1 . . . . 576 . . . 6305 1 711 . 1 1 162 162 ARG N N 15 117.97 0.1 . 1 . . . . 577 . . . 6305 1 712 . 1 1 162 162 ARG H H 1 8.33 0.02 . 1 . . . . 577 . . . 6305 1 713 . 1 1 162 162 ARG C C 13 176.98 0.1 . 1 . . . . 577 . . . 6305 1 714 . 1 1 162 162 ARG CA C 13 60.11 0.3 . 1 . . . . 577 . . . 6305 1 715 . 1 1 162 162 ARG CB C 13 30.05 0.3 . 1 . . . . 577 . . . 6305 1 716 . 1 1 163 163 HIS N N 15 117.69 0.1 . 1 . . . . 578 . . . 6305 1 717 . 1 1 163 163 HIS H H 1 8.49 0.02 . 1 . . . . 578 . . . 6305 1 718 . 1 1 163 163 HIS C C 13 177.63 0.1 . 1 . . . . 578 . . . 6305 1 719 . 1 1 163 163 HIS CA C 13 60.22 0.3 . 1 . . . . 578 . . . 6305 1 720 . 1 1 163 163 HIS CB C 13 30.13 0.3 . 1 . . . . 578 . . . 6305 1 721 . 1 1 164 164 SER N N 15 114.88 0.1 . 1 . . . . 579 . . . 6305 1 722 . 1 1 164 164 SER H H 1 8 0.02 . 1 . . . . 579 . . . 6305 1 723 . 1 1 164 164 SER C C 13 175.28 0.1 . 1 . . . . 579 . . . 6305 1 724 . 1 1 164 164 SER CA C 13 62.25 0.3 . 1 . . . . 579 . . . 6305 1 725 . 1 1 165 165 LEU N N 15 121.81 0.1 . 1 . . . . 580 . . . 6305 1 726 . 1 1 165 165 LEU H H 1 7.62 0.02 . 1 . . . . 580 . . . 6305 1 727 . 1 1 165 165 LEU C C 13 178.15 0.1 . 1 . . . . 580 . . . 6305 1 728 . 1 1 165 165 LEU CA C 13 57.03 0.3 . 1 . . . . 580 . . . 6305 1 729 . 1 1 165 165 LEU CB C 13 41.46 0.3 . 1 . . . . 580 . . . 6305 1 730 . 1 1 166 166 LEU N N 15 118.67 0.1 . 1 . . . . 581 . . . 6305 1 731 . 1 1 166 166 LEU H H 1 8.2 0.02 . 1 . . . . 581 . . . 6305 1 732 . 1 1 166 166 LEU C C 13 177.23 0.1 . 1 . . . . 581 . . . 6305 1 733 . 1 1 166 166 LEU CA C 13 58.5 0.3 . 1 . . . . 581 . . . 6305 1 734 . 1 1 166 166 LEU CB C 13 41.45 0.3 . 1 . . . . 581 . . . 6305 1 735 . 1 1 167 167 GLN N N 15 114.53 0.1 . 1 . . . . 582 . . . 6305 1 736 . 1 1 167 167 GLN H H 1 7.79 0.02 . 1 . . . . 582 . . . 6305 1 737 . 1 1 167 167 GLN C C 13 179.35 0.1 . 1 . . . . 582 . . . 6305 1 738 . 1 1 167 167 GLN CA C 13 58.67 0.3 . 1 . . . . 582 . . . 6305 1 739 . 1 1 167 167 GLN CB C 13 28.36 0.3 . 1 . . . . 582 . . . 6305 1 740 . 1 1 168 168 THR N N 15 117.58 0.1 . 1 . . . . 583 . . . 6305 1 741 . 1 1 168 168 THR H H 1 7.83 0.02 . 1 . . . . 583 . . . 6305 1 742 . 1 1 168 168 THR C C 13 176.93 0.1 . 1 . . . . 583 . . . 6305 1 743 . 1 1 168 168 THR CA C 13 65.79 0.3 . 1 . . . . 583 . . . 6305 1 744 . 1 1 168 168 THR CB C 13 68.19 0.3 . 1 . . . . 583 . . . 6305 1 745 . 1 1 169 169 LEU N N 15 121.29 0.1 . 1 . . . . 584 . . . 6305 1 746 . 1 1 169 169 LEU H H 1 8.39 0.02 . 1 . . . . 584 . . . 6305 1 747 . 1 1 169 169 LEU C C 13 178.8 0.1 . 1 . . . . 584 . . . 6305 1 748 . 1 1 169 169 LEU CA C 13 57.71 0.3 . 1 . . . . 584 . . . 6305 1 749 . 1 1 169 169 LEU CB C 13 42.69 0.3 . 1 . . . . 584 . . . 6305 1 750 . 1 1 170 170 TYR N N 15 116.91 0.1 . 1 . . . . 585 . . . 6305 1 751 . 1 1 170 170 TYR H H 1 8.11 0.02 . 1 . . . . 585 . . . 6305 1 752 . 1 1 170 170 TYR C C 13 176.89 0.1 . 1 . . . . 585 . . . 6305 1 753 . 1 1 170 170 TYR CA C 13 59.14 0.3 . 1 . . . . 585 . . . 6305 1 754 . 1 1 170 170 TYR CB C 13 38.07 0.3 . 1 . . . . 585 . . . 6305 1 755 . 1 1 171 171 LYS N N 15 117.84 0.1 . 1 . . . . 586 . . . 6305 1 756 . 1 1 171 171 LYS H H 1 7.49 0.02 . 1 . . . . 586 . . . 6305 1 757 . 1 1 171 171 LYS C C 13 176.08 0.1 . 1 . . . . 586 . . . 6305 1 758 . 1 1 171 171 LYS CA C 13 56.42 0.3 . 1 . . . . 586 . . . 6305 1 759 . 1 1 171 171 LYS CB C 13 33.41 0.3 . 1 . . . . 586 . . . 6305 1 760 . 1 1 172 172 VAL N N 15 124.45 0.1 . 1 . . . . 587 . . . 6305 1 761 . 1 1 172 172 VAL H H 1 7.16 0.02 . 1 . . . . 587 . . . 6305 1 762 . 1 1 172 172 VAL CA C 13 65.1 0.3 . 1 . . . . 587 . . . 6305 1 763 . 1 1 172 172 VAL CB C 13 32.37 0.3 . 1 . . . . 587 . . . 6305 1 stop_ save_