data_6646 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6646 _Entry.Title ; 1H, 15N and 13C backbone assignment of the firefly luciferase C-terminal 14.3 kDa domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-24 _Entry.Accession_date 2005-05-24 _Entry.Last_release_date 2005-10-26 _Entry.Original_release_date 2005-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; P. pyralis luciferase consists of a large N-terminal domain (residues 1-436) linked to a small C-terminal domain (residues 440-550) through a short putative hinge region (residues 437-439). Eight stringently conserved residues characterize the adenylate-forming super family that includes the luciferases. The firefly luciferase domain comprised of residues 420-550 contains three of the stringently conserved super family residues Gly446, Glu455 and Lys529 found in the C-terminal domain. The extended polypeptide contains two additional conserved residues Asp422 and Arg437. Furthermore, by extending the C-terminal domain to include residues 420-439, the putative hinge peptide and a small portion of the N-domain has been assigned. ; _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 Bruce Branchini . R. . 6646 2 Susan Gonzalez . A. . 6646 3 Rachelle Magyar . A. . 6646 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6646 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 6646 '15N chemical shifts' 123 6646 '1H chemical shifts' 242 6646 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 . . 2005-10-26 2005-05-24 original author . 6646 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6646 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16222562 _Citation.Full_citation . _Citation.Title ; NMR Assignment of the Backbone Resonances of the Firefly Luciferase C-terminal 14.3 kDa Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 1 _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 73 _Citation.Page_last 73 _Citation.Year 2005 _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 Bruce Branchini . R. . 6646 1 2 Susan Gonzalez . A. . 6646 1 3 Rachelle Magyar . A. . 6646 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID acyl-adenylate 6646 1 domain 6646 1 firefly 6646 1 luciferase 6646 1 'NMR assignment' 6646 1 'P. pyralis' 6646 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6646 _Assembly.ID 1 _Assembly.Name 'firefly luciferase domain residues 420-550' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 14333 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6646 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 'firefly luciferase domain residues 420-550' 1 $firefly_luciferase_domain_residues_420-550 . . yes native no no . . . 6646 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'E.C. 1.13.12.7' . 6646 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_firefly_luciferase_domain_residues_420-550 _Entity.Sf_category entity _Entity.Sf_framecode firefly_luciferase_domain_residues_420-550 _Entity.Entry_ID 6646 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'firefly luciferase C-terminal domain (420-550)' _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 ; SGDIAYWDEDEHFFIVDRLK SLIKYKGYQVAPAELESILL QHPNIFDAGVAGLPDDDAGE LPAAVVVLEHGKTMTEKEIV DYVASQVTTAKKLRGGVVFV DEVPKGLTGKLDARKIREIL IKAKKGGKSKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 PDB 1BA3 . "Firefly Luciferase In Complex With Bromoform" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 2 no PDB 1LCI . "Firefly Luciferase" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 3 no PDB 3IEP . "Firefly Luciferase Apo Structure (P41 Form)" . . . . . 100.00 551 100.00 100.00 2.16e-82 . . . . 6646 1 4 no PDB 3IER . "Firefly Luciferase Apo Structure (P41 Form) With Peg 400 Bound" . . . . . 100.00 551 100.00 100.00 2.16e-82 . . . . 6646 1 5 no PDB 3IES . "Firefly Luciferase Inhibitor Complex" . . . . . 100.00 551 100.00 100.00 2.16e-82 . . . . 6646 1 6 no PDB 3RIX . "1.7a Resolution Structure Of A Firefly Luciferase-Aspulvinone J Inhibitor Complex" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 7 no PDB 4E5D . "2.2a Resolution Structure Of A Firefly Luciferase-Benzothiazole Inhibitor Complex" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 8 no PDB 4G36 . "Photinus Pyralis Luciferase In The Adenylate-Forming Conformation Bound To Dlsa" . . . . . 100.00 555 100.00 100.00 2.47e-82 . . . . 6646 1 9 no PDB 4G37 . "Structure Of Cross-Linked Firefly Luciferase In Second Catalytic Conformation" . . . . . 100.00 555 99.24 99.24 3.35e-81 . . . . 6646 1 10 no DBJ BAA93575 . "luciferase [synthetic construct]" . . . . . 97.71 553 100.00 100.00 2.64e-80 . . . . 6646 1 11 no DBJ BAB32737 . "luciferase [Cloning vector pPVLUC441]" . . . . . 97.71 355 100.00 100.00 5.43e-82 . . . . 6646 1 12 no DBJ BAD00047 . "Fusion protein, Feo [Hepatitis C virus]" . . . . . 97.71 832 100.00 100.00 6.10e-78 . . . . 6646 1 13 no DBJ BAE33044 . "unnamed protein product [Mus musculus]" . . . . . 97.71 550 100.00 100.00 2.17e-80 . . . . 6646 1 14 no DBJ BAE33661 . "unnamed protein product [Mus musculus]" . . . . . 97.71 550 100.00 100.00 2.17e-80 . . . . 6646 1 15 no EMBL CAA46407 . "luciferase [Cloning vector pGEM-luc]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 16 no EMBL CAA46419 . "luciferase [Cloning vector pGL2-Basic]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 17 no EMBL CAA46421 . "luciferase [Cloning vector pGL2-Control]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 18 no EMBL CAA46423 . "luciferase [Cloning vector pGL2-Enhancer]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 19 no EMBL CAA46425 . "luciferase [Cloning vector pGL2-Promoter]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 20 no GB AAA03561 . "luciferase [synthetic construct]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 21 no GB AAA29795 . "Luciferase [Photinus pyralis]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 22 no GB AAA66377 . "luciferase [Cloning vector pLUC/LIC]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 1 23 no GB AAA72988 . "luciferase/kanamycin resistance protein [synthetic construct]" . . . . . 100.00 821 99.24 99.24 2.20e-79 . . . . 6646 1 24 no GB AAA88784 . "luciferase [Cloning vector pSP-luc+]" . . . . . 97.71 550 100.00 100.00 2.17e-80 . . . . 6646 1 25 no SP P08659 . "RecName: Full=Luciferin 4-monooxygenase; Short=Luciferase [Photinus pyralis]" . . . . . 100.00 550 100.00 100.00 2.13e-82 . . . . 6646 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 1 420 SER . 6646 1 2 421 GLY . 6646 1 3 422 ASP . 6646 1 4 423 ILE . 6646 1 5 424 ALA . 6646 1 6 425 TYR . 6646 1 7 426 TRP . 6646 1 8 427 ASP . 6646 1 9 428 GLU . 6646 1 10 429 ASP . 6646 1 11 430 GLU . 6646 1 12 431 HIS . 6646 1 13 432 PHE . 6646 1 14 433 PHE . 6646 1 15 434 ILE . 6646 1 16 435 VAL . 6646 1 17 436 ASP . 6646 1 18 437 ARG . 6646 1 19 438 LEU . 6646 1 20 439 LYS . 6646 1 21 440 SER . 6646 1 22 441 LEU . 6646 1 23 442 ILE . 6646 1 24 443 LYS . 6646 1 25 444 TYR . 6646 1 26 445 LYS . 6646 1 27 446 GLY . 6646 1 28 447 TYR . 6646 1 29 448 GLN . 6646 1 30 449 VAL . 6646 1 31 450 ALA . 6646 1 32 451 PRO . 6646 1 33 452 ALA . 6646 1 34 453 GLU . 6646 1 35 454 LEU . 6646 1 36 455 GLU . 6646 1 37 456 SER . 6646 1 38 457 ILE . 6646 1 39 458 LEU . 6646 1 40 459 LEU . 6646 1 41 460 GLN . 6646 1 42 461 HIS . 6646 1 43 462 PRO . 6646 1 44 463 ASN . 6646 1 45 464 ILE . 6646 1 46 465 PHE . 6646 1 47 466 ASP . 6646 1 48 467 ALA . 6646 1 49 468 GLY . 6646 1 50 469 VAL . 6646 1 51 470 ALA . 6646 1 52 471 GLY . 6646 1 53 472 LEU . 6646 1 54 473 PRO . 6646 1 55 474 ASP . 6646 1 56 475 ASP . 6646 1 57 476 ASP . 6646 1 58 477 ALA . 6646 1 59 478 GLY . 6646 1 60 479 GLU . 6646 1 61 480 LEU . 6646 1 62 481 PRO . 6646 1 63 482 ALA . 6646 1 64 483 ALA . 6646 1 65 484 VAL . 6646 1 66 485 VAL . 6646 1 67 486 VAL . 6646 1 68 487 LEU . 6646 1 69 488 GLU . 6646 1 70 489 HIS . 6646 1 71 490 GLY . 6646 1 72 491 LYS . 6646 1 73 492 THR . 6646 1 74 493 MET . 6646 1 75 494 THR . 6646 1 76 495 GLU . 6646 1 77 496 LYS . 6646 1 78 497 GLU . 6646 1 79 498 ILE . 6646 1 80 499 VAL . 6646 1 81 500 ASP . 6646 1 82 501 TYR . 6646 1 83 502 VAL . 6646 1 84 503 ALA . 6646 1 85 504 SER . 6646 1 86 505 GLN . 6646 1 87 506 VAL . 6646 1 88 507 THR . 6646 1 89 508 THR . 6646 1 90 509 ALA . 6646 1 91 510 LYS . 6646 1 92 511 LYS . 6646 1 93 512 LEU . 6646 1 94 513 ARG . 6646 1 95 514 GLY . 6646 1 96 515 GLY . 6646 1 97 516 VAL . 6646 1 98 517 VAL . 6646 1 99 518 PHE . 6646 1 100 519 VAL . 6646 1 101 520 ASP . 6646 1 102 521 GLU . 6646 1 103 522 VAL . 6646 1 104 523 PRO . 6646 1 105 524 LYS . 6646 1 106 525 GLY . 6646 1 107 526 LEU . 6646 1 108 527 THR . 6646 1 109 528 GLY . 6646 1 110 529 LYS . 6646 1 111 530 LEU . 6646 1 112 531 ASP . 6646 1 113 532 ALA . 6646 1 114 533 ARG . 6646 1 115 534 LYS . 6646 1 116 535 ILE . 6646 1 117 536 ARG . 6646 1 118 537 GLU . 6646 1 119 538 ILE . 6646 1 120 539 LEU . 6646 1 121 540 ILE . 6646 1 122 541 LYS . 6646 1 123 542 ALA . 6646 1 124 543 LYS . 6646 1 125 544 LYS . 6646 1 126 545 GLY . 6646 1 127 546 GLY . 6646 1 128 547 LYS . 6646 1 129 548 SER . 6646 1 130 549 LYS . 6646 1 131 550 LEU . 6646 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 . SER 1 1 6646 1 . GLY 2 2 6646 1 . ASP 3 3 6646 1 . ILE 4 4 6646 1 . ALA 5 5 6646 1 . TYR 6 6 6646 1 . TRP 7 7 6646 1 . ASP 8 8 6646 1 . GLU 9 9 6646 1 . ASP 10 10 6646 1 . GLU 11 11 6646 1 . HIS 12 12 6646 1 . PHE 13 13 6646 1 . PHE 14 14 6646 1 . ILE 15 15 6646 1 . VAL 16 16 6646 1 . ASP 17 17 6646 1 . ARG 18 18 6646 1 . LEU 19 19 6646 1 . LYS 20 20 6646 1 . SER 21 21 6646 1 . LEU 22 22 6646 1 . ILE 23 23 6646 1 . LYS 24 24 6646 1 . TYR 25 25 6646 1 . LYS 26 26 6646 1 . GLY 27 27 6646 1 . TYR 28 28 6646 1 . GLN 29 29 6646 1 . VAL 30 30 6646 1 . ALA 31 31 6646 1 . PRO 32 32 6646 1 . ALA 33 33 6646 1 . GLU 34 34 6646 1 . LEU 35 35 6646 1 . GLU 36 36 6646 1 . SER 37 37 6646 1 . ILE 38 38 6646 1 . LEU 39 39 6646 1 . LEU 40 40 6646 1 . GLN 41 41 6646 1 . HIS 42 42 6646 1 . PRO 43 43 6646 1 . ASN 44 44 6646 1 . ILE 45 45 6646 1 . PHE 46 46 6646 1 . ASP 47 47 6646 1 . ALA 48 48 6646 1 . GLY 49 49 6646 1 . VAL 50 50 6646 1 . ALA 51 51 6646 1 . GLY 52 52 6646 1 . LEU 53 53 6646 1 . PRO 54 54 6646 1 . ASP 55 55 6646 1 . ASP 56 56 6646 1 . ASP 57 57 6646 1 . ALA 58 58 6646 1 . GLY 59 59 6646 1 . GLU 60 60 6646 1 . LEU 61 61 6646 1 . PRO 62 62 6646 1 . ALA 63 63 6646 1 . ALA 64 64 6646 1 . VAL 65 65 6646 1 . VAL 66 66 6646 1 . VAL 67 67 6646 1 . LEU 68 68 6646 1 . GLU 69 69 6646 1 . HIS 70 70 6646 1 . GLY 71 71 6646 1 . LYS 72 72 6646 1 . THR 73 73 6646 1 . MET 74 74 6646 1 . THR 75 75 6646 1 . GLU 76 76 6646 1 . LYS 77 77 6646 1 . GLU 78 78 6646 1 . ILE 79 79 6646 1 . VAL 80 80 6646 1 . ASP 81 81 6646 1 . TYR 82 82 6646 1 . VAL 83 83 6646 1 . ALA 84 84 6646 1 . SER 85 85 6646 1 . GLN 86 86 6646 1 . VAL 87 87 6646 1 . THR 88 88 6646 1 . THR 89 89 6646 1 . ALA 90 90 6646 1 . LYS 91 91 6646 1 . LYS 92 92 6646 1 . LEU 93 93 6646 1 . ARG 94 94 6646 1 . GLY 95 95 6646 1 . GLY 96 96 6646 1 . VAL 97 97 6646 1 . VAL 98 98 6646 1 . PHE 99 99 6646 1 . VAL 100 100 6646 1 . ASP 101 101 6646 1 . GLU 102 102 6646 1 . VAL 103 103 6646 1 . PRO 104 104 6646 1 . LYS 105 105 6646 1 . GLY 106 106 6646 1 . LEU 107 107 6646 1 . THR 108 108 6646 1 . GLY 109 109 6646 1 . LYS 110 110 6646 1 . LEU 111 111 6646 1 . ASP 112 112 6646 1 . ALA 113 113 6646 1 . ARG 114 114 6646 1 . LYS 115 115 6646 1 . ILE 116 116 6646 1 . ARG 117 117 6646 1 . GLU 118 118 6646 1 . ILE 119 119 6646 1 . LEU 120 120 6646 1 . ILE 121 121 6646 1 . LYS 122 122 6646 1 . ALA 123 123 6646 1 . LYS 124 124 6646 1 . LYS 125 125 6646 1 . GLY 126 126 6646 1 . GLY 127 127 6646 1 . LYS 128 128 6646 1 . SER 129 129 6646 1 . LYS 130 130 6646 1 . LEU 131 131 6646 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 6646 _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 $firefly_luciferase_domain_residues_420-550 . 7054 organism . 'Photinus pyralis' 'common eastern firefly' . . Eukaryota Metazoa Photinus pyralis . . . . . . . . . . . . . . . . . . . . . 6646 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 6646 _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 $firefly_luciferase_domain_residues_420-550 . 'recombinant technology' . 'E. coli' . . Escherichia 'Escherichia coli' BL21 DE3 . . . . . . . . . . . . . . . . . . . . . 6646 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6646 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N double labeled protein' _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 'firefly luciferase domain residues 420-550' '[U-95% 13C; U-95% 15N]' . . 1 $firefly_luciferase_domain_residues_420-550 . . 1.2 . . mM . . . . 6646 1 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 6646 1 3 'sodium azide' . . . . . . . 0.05 . . % . . . . 6646 1 4 H2O . . . . . . . 92 . . % . . . . 6646 1 5 D2O . . . . . . . 8 . . % . . . . 6646 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6646 _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 7.0 0.1 pH 6646 1 temperature 291 0.1 K 6646 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6646 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian 'Palo Alto, CA' www.varianinc.com 6646 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6646 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . sparky@cgl.ucsf.edu 6646 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz_spectrometer _NMR_spectrometer.Entry_ID 6646 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY/INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '500 MHz' save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6646 _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 HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 6 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 7 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 8 NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_spectrometer . . . . . . . . . . . . . . . . 6646 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6646 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6646 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6646 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6646 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6646 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 HSQC 1 $sample_1 isotropic 6646 1 2 HNCO 1 $sample_1 isotropic 6646 1 3 HNCA 1 $sample_1 isotropic 6646 1 4 HN(CO)CA 1 $sample_1 isotropic 6646 1 5 HNCACB 1 $sample_1 isotropic 6646 1 6 CBCA(CO)NH 1 $sample_1 isotropic 6646 1 7 HNHA 1 $sample_1 isotropic 6646 1 8 NOESY-HSQC 1 $sample_1 isotropic 6646 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 1 1 SER H H 1 8.33 0.02 . 1 . . . . 420 S H . 6646 1 2 . 1 1 1 1 SER HA H 1 4.41 0.02 . 1 . . . . 420 S HA . 6646 1 3 . 1 1 1 1 SER C C 13 175 0.2 . 1 . . . . 420 S C . 6646 1 4 . 1 1 1 1 SER CA C 13 58.4 0.2 . 1 . . . . 420 S CA . 6646 1 5 . 1 1 1 1 SER CB C 13 63.8 0.2 . 1 . . . . 420 S CB . 6646 1 6 . 1 1 1 1 SER N N 15 115.7 0.2 . 1 . . . . 420 S N . 6646 1 7 . 1 1 2 2 GLY H H 1 8.56 0.02 . 1 . . . . 421 G H . 6646 1 8 . 1 1 2 2 GLY HA2 H 1 3.97 0.02 . 1 . . . . 421 G HA2 . 6646 1 9 . 1 1 2 2 GLY C C 13 173.6 0.2 . 1 . . . . 421 G C . 6646 1 10 . 1 1 2 2 GLY CA C 13 45.4 0.2 . 1 . . . . 421 G CA . 6646 1 11 . 1 1 2 2 GLY N N 15 110.8 0.2 . 1 . . . . 421 G N . 6646 1 12 . 1 1 3 3 ASP H H 1 8.19 0.02 . 1 . . . . 422 D H . 6646 1 13 . 1 1 3 3 ASP HA H 1 4.62 0.02 . 1 . . . . 422 D HA . 6646 1 14 . 1 1 3 3 ASP C C 13 175.9 0.2 . 1 . . . . 422 D C . 6646 1 15 . 1 1 3 3 ASP CA C 13 54.4 0.2 . 1 . . . . 422 D CA . 6646 1 16 . 1 1 3 3 ASP CB C 13 41.4 0.2 . 1 . . . . 422 D CB . 6646 1 17 . 1 1 3 3 ASP N N 15 120.5 0.2 . 1 . . . . 422 D N . 6646 1 18 . 1 1 4 4 ILE H H 1 8.05 0.02 . 1 . . . . 423 I H . 6646 1 19 . 1 1 4 4 ILE HA H 1 4.06 0.02 . 1 . . . . 423 I HA . 6646 1 20 . 1 1 4 4 ILE C C 13 175.4 0.2 . 1 . . . . 423 I C . 6646 1 21 . 1 1 4 4 ILE CA C 13 61 0.2 . 1 . . . . 423 I CA . 6646 1 22 . 1 1 4 4 ILE CB C 13 39 0.2 . 1 . . . . 423 I CB . 6646 1 23 . 1 1 4 4 ILE N N 15 120.9 0.2 . 1 . . . . 423 I N . 6646 1 24 . 1 1 5 5 ALA H H 1 8.32 0.02 . 1 . . . . 424 A H . 6646 1 25 . 1 1 5 5 ALA HA H 1 4.22 0.02 . 1 . . . . 424 A HA . 6646 1 26 . 1 1 5 5 ALA C C 13 176.8 0.2 . 1 . . . . 424 A C . 6646 1 27 . 1 1 5 5 ALA CA C 13 52.3 0.2 . 1 . . . . 424 A CA . 6646 1 28 . 1 1 5 5 ALA CB C 13 19.5 0.2 . 1 . . . . 424 A CB . 6646 1 29 . 1 1 5 5 ALA N N 15 127.6 0.2 . 1 . . . . 424 A N . 6646 1 30 . 1 1 6 6 TYR H H 1 8 0.02 . 1 . . . . 425 Y H . 6646 1 31 . 1 1 6 6 TYR C C 13 174.9 0.2 . 1 . . . . 425 Y C . 6646 1 32 . 1 1 6 6 TYR CA C 13 57.8 0.2 . 1 . . . . 425 Y CA . 6646 1 33 . 1 1 6 6 TYR CB C 13 39.3 0.2 . 1 . . . . 425 Y CB . 6646 1 34 . 1 1 6 6 TYR N N 15 119.3 0.2 . 1 . . . . 425 Y N . 6646 1 35 . 1 1 7 7 TRP H H 1 7.93 0.02 . 1 . . . . 426 W H . 6646 1 36 . 1 1 7 7 TRP HA H 1 4.51 0.02 . 1 . . . . 426 W HA . 6646 1 37 . 1 1 7 7 TRP C C 13 176.3 0.2 . 1 . . . . 426 W C . 6646 1 38 . 1 1 7 7 TRP CA C 13 56.9 0.2 . 1 . . . . 426 W CA . 6646 1 39 . 1 1 7 7 TRP CB C 13 30.1 0.2 . 1 . . . . 426 W CB . 6646 1 40 . 1 1 7 7 TRP N N 15 122.2 0.2 . 1 . . . . 426 W N . 6646 1 41 . 1 1 8 8 ASP H H 1 8.09 0.02 . 1 . . . . 427 D H . 6646 1 42 . 1 1 8 8 ASP HA H 1 4.57 0.02 . 1 . . . . 427 D HA . 6646 1 43 . 1 1 8 8 ASP C C 13 175.9 0.2 . 1 . . . . 427 D C . 6646 1 44 . 1 1 8 8 ASP CA C 13 54.1 0.2 . 1 . . . . 427 D CA . 6646 1 45 . 1 1 8 8 ASP CB C 13 41.5 0.2 . 1 . . . . 427 D CB . 6646 1 46 . 1 1 8 8 ASP N N 15 122.7 0.2 . 1 . . . . 427 D N . 6646 1 47 . 1 1 9 9 GLU H H 1 8.22 0.02 . 1 . . . . 428 E H . 6646 1 48 . 1 1 9 9 GLU HA H 1 4.05 0.02 . 1 . . . . 428 E HA . 6646 1 49 . 1 1 9 9 GLU C C 13 176.3 0.2 . 1 . . . . 428 E C . 6646 1 50 . 1 1 9 9 GLU CA C 13 57.5 0.2 . 1 . . . . 428 E CA . 6646 1 51 . 1 1 9 9 GLU CB C 13 30.3 0.2 . 1 . . . . 428 E CB . 6646 1 52 . 1 1 9 9 GLU N N 15 121.6 0.2 . 1 . . . . 428 E N . 6646 1 53 . 1 1 10 10 ASP H H 1 8.25 0.02 . 1 . . . . 429 D H . 6646 1 54 . 1 1 10 10 ASP HA H 1 4.05 0.02 . 1 . . . . 429 D HA . 6646 1 55 . 1 1 10 10 ASP CA C 13 55.2 0.2 . 1 . . . . 429 D CA . 6646 1 56 . 1 1 10 10 ASP CB C 13 41.4 0.2 . 1 . . . . 429 D CB . 6646 1 57 . 1 1 10 10 ASP N N 15 120.3 0.2 . 1 . . . . 429 D N . 6646 1 58 . 1 1 11 11 GLU H H 1 8.26 0.02 . 1 . . . . 430 E H . 6646 1 59 . 1 1 11 11 GLU C C 13 176.5 0.2 . 1 . . . . 430 E C . 6646 1 60 . 1 1 11 11 GLU CA C 13 57.3 0.2 . 1 . . . . 430 E CA . 6646 1 61 . 1 1 11 11 GLU CB C 13 29.9 0.2 . 1 . . . . 430 E CB . 6646 1 62 . 1 1 11 11 GLU N N 15 120 0.2 . 1 . . . . 430 E N . 6646 1 63 . 1 1 12 12 HIS H H 1 8.26 0.02 . 1 . . . . 431 H H . 6646 1 64 . 1 1 12 12 HIS HA H 1 4.59 0.02 . 1 . . . . 431 H HA . 6646 1 65 . 1 1 12 12 HIS C C 13 174.8 0.2 . 1 . . . . 431 H C . 6646 1 66 . 1 1 12 12 HIS CA C 13 56.7 0.2 . 1 . . . . 431 H CA . 6646 1 67 . 1 1 12 12 HIS CB C 13 29.3 0.2 . 1 . . . . 431 H CB . 6646 1 68 . 1 1 12 12 HIS N N 15 118.2 0.2 . 1 . . . . 431 H N . 6646 1 69 . 1 1 13 13 PHE H H 1 7.93 0.02 . 1 . . . . 432 F H . 6646 1 70 . 1 1 13 13 PHE HA H 1 4.41 0.02 . 1 . . . . 432 F HA . 6646 1 71 . 1 1 13 13 PHE C C 13 175.2 0.2 . 1 . . . . 432 F C . 6646 1 72 . 1 1 13 13 PHE CA C 13 58.5 0.2 . 1 . . . . 432 F CA . 6646 1 73 . 1 1 13 13 PHE CB C 13 39 0.2 . 1 . . . . 432 F CB . 6646 1 74 . 1 1 13 13 PHE N N 15 119 0.2 . 1 . . . . 432 F N . 6646 1 75 . 1 1 14 14 PHE H H 1 8.12 0.02 . 1 . . . . 433 F H . 6646 1 76 . 1 1 14 14 PHE HA H 1 4.48 0.02 . 1 . . . . 433 F HA . 6646 1 77 . 1 1 14 14 PHE C C 13 175.5 0.2 . 1 . . . . 433 F C . 6646 1 78 . 1 1 14 14 PHE CA C 13 58 0.2 . 1 . . . . 433 F CA . 6646 1 79 . 1 1 14 14 PHE CB C 13 39.5 0.2 . 1 . . . . 433 F CB . 6646 1 80 . 1 1 14 14 PHE N N 15 120.2 0.2 . 1 . . . . 433 F N . 6646 1 81 . 1 1 15 15 ILE H H 1 8.06 0.02 . 1 . . . . 434 I H . 6646 1 82 . 1 1 15 15 ILE HA H 1 4.02 0.02 . 1 . . . . 434 I HA . 6646 1 83 . 1 1 15 15 ILE C C 13 175 0.2 . 1 . . . . 434 I C . 6646 1 84 . 1 1 15 15 ILE CA C 13 61.9 0.2 . 1 . . . . 434 I CA . 6646 1 85 . 1 1 15 15 ILE CB C 13 32.9 0.2 . 1 . . . . 434 I CB . 6646 1 86 . 1 1 15 15 ILE N N 15 122 0.2 . 1 . . . . 434 I N . 6646 1 87 . 1 1 16 16 VAL H H 1 8.09 0.02 . 1 . . . . 435 V H . 6646 1 88 . 1 1 16 16 VAL HA H 1 3.95 0.02 . 1 . . . . 435 V HA . 6646 1 89 . 1 1 16 16 VAL C C 13 176.1 0.2 . 1 . . . . 435 V C . 6646 1 90 . 1 1 16 16 VAL CA C 13 62 0.2 . 1 . . . . 435 V CA . 6646 1 91 . 1 1 16 16 VAL CB C 13 32.6 0.2 . 1 . . . . 435 V CB . 6646 1 92 . 1 1 16 16 VAL N N 15 122.7 0.2 . 1 . . . . 435 V N . 6646 1 93 . 1 1 17 17 ASP H H 1 8.32 0.02 . 1 . . . . 436 D H . 6646 1 94 . 1 1 17 17 ASP HA H 1 4.44 0.02 . 1 . . . . 436 D HA . 6646 1 95 . 1 1 17 17 ASP C C 13 176.9 0.2 . 1 . . . . 436 D C . 6646 1 96 . 1 1 17 17 ASP CA C 13 55.2 0.2 . 1 . . . . 436 D CA . 6646 1 97 . 1 1 17 17 ASP CB C 13 41.4 0.2 . 1 . . . . 436 D CB . 6646 1 98 . 1 1 17 17 ASP N N 15 122.7 0.2 . 1 . . . . 436 D N . 6646 1 99 . 1 1 18 18 ARG H H 1 8.27 0.02 . 1 . . . . 437 R H . 6646 1 100 . 1 1 18 18 ARG HA H 1 4.13 0.02 . 1 . . . . 437 R HA . 6646 1 101 . 1 1 18 18 ARG C C 13 177.2 0.2 . 1 . . . . 437 R C . 6646 1 102 . 1 1 18 18 ARG N N 15 121.2 0.2 . 1 . . . . 437 R N . 6646 1 103 . 1 1 19 19 LEU H H 1 8.19 0.02 . 1 . . . . 438 L H . 6646 1 104 . 1 1 19 19 LEU HA H 1 4.2 0.02 . 1 . . . . 438 L HA . 6646 1 105 . 1 1 19 19 LEU C C 13 178 0.2 . 1 . . . . 438 L C . 6646 1 106 . 1 1 19 19 LEU CA C 13 55.6 0.2 . 1 . . . . 438 L CA . 6646 1 107 . 1 1 19 19 LEU CB C 13 41.5 0.2 . 1 . . . . 438 L CB . 6646 1 108 . 1 1 19 19 LEU N N 15 120.5 0.2 . 1 . . . . 438 L N . 6646 1 109 . 1 1 20 20 LYS H H 1 8.01 0.02 . 1 . . . . 439 K H . 6646 1 110 . 1 1 20 20 LYS HA H 1 4.5 0.02 . 1 . . . . 439 K HA . 6646 1 111 . 1 1 20 20 LYS C C 13 176.6 0.2 . 1 . . . . 439 K C . 6646 1 112 . 1 1 20 20 LYS CA C 13 56.9 0.2 . 1 . . . . 439 K CA . 6646 1 113 . 1 1 20 20 LYS CB C 13 32.5 0.2 . 1 . . . . 439 K CB . 6646 1 114 . 1 1 20 20 LYS N N 15 119.6 0.2 . 1 . . . . 439 K N . 6646 1 115 . 1 1 21 21 SER H H 1 8.06 0.02 . 1 . . . . 440 S H . 6646 1 116 . 1 1 21 21 SER HA H 1 4.43 0.02 . 1 . . . . 440 S HA . 6646 1 117 . 1 1 21 21 SER C C 13 173.6 0.2 . 1 . . . . 440 S C . 6646 1 118 . 1 1 21 21 SER CA C 13 58.6 0.2 . 1 . . . . 440 S CA . 6646 1 119 . 1 1 21 21 SER CB C 13 63.4 0.2 . 1 . . . . 440 S CB . 6646 1 120 . 1 1 21 21 SER N N 15 114.8 0.2 . 1 . . . . 440 S N . 6646 1 121 . 1 1 22 22 LEU H H 1 7.64 0.02 . 1 . . . . 441 L H . 6646 1 122 . 1 1 22 22 LEU HA H 1 4.03 0.02 . 1 . . . . 441 L HA . 6646 1 123 . 1 1 22 22 LEU C C 13 174 0.2 . 1 . . . . 441 L C . 6646 1 124 . 1 1 22 22 LEU CA C 13 55.1 0.2 . 1 . . . . 441 L CA . 6646 1 125 . 1 1 22 22 LEU CB C 13 43.3 0.2 . 1 . . . . 441 L CB . 6646 1 126 . 1 1 22 22 LEU N N 15 121.1 0.2 . 1 . . . . 441 L N . 6646 1 127 . 1 1 23 23 ILE H H 1 8.98 0.02 . 1 . . . . 442 I H . 6646 1 128 . 1 1 23 23 ILE C C 13 175.2 0.2 . 1 . . . . 442 I C . 6646 1 129 . 1 1 23 23 ILE CA C 13 60.9 0.2 . 1 . . . . 442 I CA . 6646 1 130 . 1 1 23 23 ILE N N 15 123.9 0.2 . 1 . . . . 442 I N . 6646 1 131 . 1 1 24 24 LYS H H 1 8.82 0.02 . 1 . . . . 443 K H . 6646 1 132 . 1 1 24 24 LYS HA H 1 4.95 0.02 . 1 . . . . 443 K HA . 6646 1 133 . 1 1 24 24 LYS CA C 13 55.3 0.2 . 1 . . . . 443 K CA . 6646 1 134 . 1 1 24 24 LYS CB C 13 30 0.2 . 1 . . . . 443 K CB . 6646 1 135 . 1 1 24 24 LYS N N 15 129.2 0.2 . 1 . . . . 443 K N . 6646 1 136 . 1 1 25 25 TYR H H 1 7.83 0.02 . 1 . . . . 444 Y H . 6646 1 137 . 1 1 25 25 TYR HA H 1 4.13 0.02 . 1 . . . . 444 Y HA . 6646 1 138 . 1 1 25 25 TYR CA C 13 56.1 0.2 . 1 . . . . 444 Y CA . 6646 1 139 . 1 1 25 25 TYR CB C 13 40.4 0.2 . 1 . . . . 444 Y CB . 6646 1 140 . 1 1 25 25 TYR N N 15 126.6 0.2 . 1 . . . . 444 Y N . 6646 1 141 . 1 1 26 26 LYS H H 1 9.27 0.02 . 1 . . . . 445 K H . 6646 1 142 . 1 1 26 26 LYS C C 13 176.1 0.2 . 1 . . . . 445 K C . 6646 1 143 . 1 1 26 26 LYS CA C 13 57.4 0.2 . 1 . . . . 445 K CA . 6646 1 144 . 1 1 26 26 LYS CB C 13 30.5 0.2 . 1 . . . . 445 K CB . 6646 1 145 . 1 1 26 26 LYS N N 15 124.9 0.2 . 1 . . . . 445 K N . 6646 1 146 . 1 1 27 27 GLY H H 1 8.06 0.02 . 1 . . . . 446 G H . 6646 1 147 . 1 1 27 27 GLY HA2 H 1 3.75 0.02 . 1 . . . . 446 G HA2 . 6646 1 148 . 1 1 27 27 GLY C C 13 176.1 0.2 . 1 . . . . 446 G C . 6646 1 149 . 1 1 27 27 GLY N N 15 107.3 0.2 . 1 . . . . 446 G N . 6646 1 150 . 1 1 28 28 TYR H H 1 8.88 0.02 . 1 . . . . 447 Y H . 6646 1 151 . 1 1 28 28 TYR C C 13 175.2 0.2 . 1 . . . . 447 Y C . 6646 1 152 . 1 1 28 28 TYR CA C 13 57.5 0.2 . 1 . . . . 447 Y CA . 6646 1 153 . 1 1 28 28 TYR CB C 13 39.9 0.2 . 1 . . . . 447 Y CB . 6646 1 154 . 1 1 28 28 TYR N N 15 122.2 0.2 . 1 . . . . 447 Y N . 6646 1 155 . 1 1 29 29 GLN H H 1 8.51 0.02 . 1 . . . . 448 Q H . 6646 1 156 . 1 1 29 29 GLN HA H 1 4.97 0.02 . 1 . . . . 448 Q HA . 6646 1 157 . 1 1 29 29 GLN C C 13 175.2 0.2 . 1 . . . . 448 Q C . 6646 1 158 . 1 1 29 29 GLN CA C 13 55.1 0.2 . 1 . . . . 448 Q CA . 6646 1 159 . 1 1 29 29 GLN CB C 13 30.3 0.2 . 1 . . . . 448 Q CB . 6646 1 160 . 1 1 29 29 GLN N N 15 120.7 0.2 . 1 . . . . 448 Q N . 6646 1 161 . 1 1 30 30 VAL H H 1 9.4 0.02 . 1 . . . . 449 V H . 6646 1 162 . 1 1 30 30 VAL HA H 1 4.94 0.02 . 1 . . . . 449 V HA . 6646 1 163 . 1 1 30 30 VAL C C 13 173.9 0.2 . 1 . . . . 449 V C . 6646 1 164 . 1 1 30 30 VAL CA C 13 61.6 0.2 . 1 . . . . 449 V CA . 6646 1 165 . 1 1 30 30 VAL CB C 13 34.6 0.2 . 1 . . . . 449 V CB . 6646 1 166 . 1 1 30 30 VAL N N 15 125.7 0.2 . 1 . . . . 449 V N . 6646 1 167 . 1 1 31 31 ALA H H 1 9.36 0.02 . 1 . . . . 450 A H . 6646 1 168 . 1 1 31 31 ALA HA H 1 4.17 0.02 . 1 . . . . 450 A HA . 6646 1 169 . 1 1 31 31 ALA CA C 13 49.7 0.2 . 1 . . . . 450 A CA . 6646 1 170 . 1 1 31 31 ALA CB C 13 18.9 0.2 . 1 . . . . 450 A CB . 6646 1 171 . 1 1 31 31 ALA N N 15 132.8 0.2 . 1 . . . . 450 A N . 6646 1 172 . 1 1 32 32 PRO C C 13 177.7 0.2 . 1 . . . . 451 P C . 6646 1 173 . 1 1 32 32 PRO CA C 13 65.3 0.2 . 1 . . . . 451 P CA . 6646 1 174 . 1 1 32 32 PRO CB C 13 32.5 0.2 . 1 . . . . 451 P CB . 6646 1 175 . 1 1 33 33 ALA H H 1 8.53 0.02 . 1 . . . . 452 A H . 6646 1 176 . 1 1 33 33 ALA HA H 1 4.39 0.02 . 1 . . . . 452 A HA . 6646 1 177 . 1 1 33 33 ALA C C 13 180.4 0.2 . 1 . . . . 452 A C . 6646 1 178 . 1 1 33 33 ALA CB C 13 18.7 0.2 . 1 . . . . 452 A CB . 6646 1 179 . 1 1 33 33 ALA N N 15 116.6 0.2 . 1 . . . . 452 A N . 6646 1 180 . 1 1 34 34 GLU H H 1 7.31 0.02 . 1 . . . . 453 E H . 6646 1 181 . 1 1 34 34 GLU HA H 1 4.38 0.02 . 1 . . . . 453 E HA . 6646 1 182 . 1 1 34 34 GLU C C 13 178.6 0.2 . 1 . . . . 453 E C . 6646 1 183 . 1 1 34 34 GLU CA C 13 58.8 0.2 . 1 . . . . 453 E CA . 6646 1 184 . 1 1 34 34 GLU CB C 13 29.8 0.2 . 1 . . . . 453 E CB . 6646 1 185 . 1 1 34 34 GLU N N 15 117.4 0.2 . 1 . . . . 453 E N . 6646 1 186 . 1 1 35 35 LEU H H 1 6.72 0.02 . 1 . . . . 454 L H . 6646 1 187 . 1 1 35 35 LEU C C 13 178.6 0.2 . 1 . . . . 454 L C . 6646 1 188 . 1 1 35 35 LEU CA C 13 57.3 0.2 . 1 . . . . 454 L CA . 6646 1 189 . 1 1 35 35 LEU CB C 13 43.9 0.2 . 1 . . . . 454 L CB . 6646 1 190 . 1 1 35 35 LEU N N 15 118.1 0.2 . 1 . . . . 454 L N . 6646 1 191 . 1 1 36 36 GLU H H 1 8.89 0.02 . 1 . . . . 455 E H . 6646 1 192 . 1 1 36 36 GLU C C 13 177.5 0.2 . 1 . . . . 455 E C . 6646 1 193 . 1 1 36 36 GLU CA C 13 60.6 0.2 . 1 . . . . 455 E CA . 6646 1 194 . 1 1 36 36 GLU CB C 13 28.8 0.2 . 1 . . . . 455 E CB . 6646 1 195 . 1 1 36 36 GLU N N 15 119.1 0.2 . 1 . . . . 455 E N . 6646 1 196 . 1 1 37 37 SER H H 1 7.83 0.02 . 1 . . . . 456 S H . 6646 1 197 . 1 1 37 37 SER HA H 1 4.14 0.02 . 1 . . . . 456 S HA . 6646 1 198 . 1 1 37 37 SER C C 13 176.7 0.2 . 1 . . . . 456 S C . 6646 1 199 . 1 1 37 37 SER CA C 13 61.9 0.2 . 1 . . . . 456 S CA . 6646 1 200 . 1 1 37 37 SER N N 15 111.7 0.2 . 1 . . . . 456 S N . 6646 1 201 . 1 1 38 38 ILE H H 1 7.09 0.02 . 1 . . . . 457 I H . 6646 1 202 . 1 1 38 38 ILE HA H 1 3.8 0.02 . 1 . . . . 457 I HA . 6646 1 203 . 1 1 38 38 ILE C C 13 173.8 0.2 . 1 . . . . 457 I C . 6646 1 204 . 1 1 38 38 ILE CA C 13 64.1 0.2 . 1 . . . . 457 I CA . 6646 1 205 . 1 1 38 38 ILE CB C 13 38.8 0.2 . 1 . . . . 457 I CB . 6646 1 206 . 1 1 38 38 ILE N N 15 120.2 0.2 . 1 . . . . 457 I N . 6646 1 207 . 1 1 39 39 LEU H H 1 8.18 0.02 . 1 . . . . 458 L H . 6646 1 208 . 1 1 39 39 LEU HA H 1 4.06 0.02 . 1 . . . . 458 L HA . 6646 1 209 . 1 1 39 39 LEU C C 13 177.4 0.2 . 1 . . . . 458 L C . 6646 1 210 . 1 1 39 39 LEU CA C 13 58.8 0.2 . 1 . . . . 458 L CA . 6646 1 211 . 1 1 39 39 LEU CB C 13 41.9 0.2 . 1 . . . . 458 L CB . 6646 1 212 . 1 1 39 39 LEU N N 15 121.4 0.2 . 1 . . . . 458 L N . 6646 1 213 . 1 1 40 40 LEU H H 1 8.48 0.02 . 1 . . . . 459 L H . 6646 1 214 . 1 1 40 40 LEU HA H 1 3.77 0.02 . 1 . . . . 459 L HA . 6646 1 215 . 1 1 40 40 LEU C C 13 178.5 0.2 . 1 . . . . 459 L C . 6646 1 216 . 1 1 40 40 LEU CA C 13 57.3 0.2 . 1 . . . . 459 L CA . 6646 1 217 . 1 1 40 40 LEU CB C 13 41.7 0.2 . 1 . . . . 459 L CB . 6646 1 218 . 1 1 40 40 LEU N N 15 116.1 0.2 . 1 . . . . 459 L N . 6646 1 219 . 1 1 41 41 GLN H H 1 7.31 0.02 . 1 . . . . 460 Q H . 6646 1 220 . 1 1 41 41 GLN HA H 1 4.09 0.02 . 1 . . . . 460 Q HA . 6646 1 221 . 1 1 41 41 GLN C C 13 177 0.2 . 1 . . . . 460 Q C . 6646 1 222 . 1 1 41 41 GLN CA C 13 56.5 0.2 . 1 . . . . 460 Q CA . 6646 1 223 . 1 1 41 41 GLN CB C 13 29 0.2 . 1 . . . . 460 Q CB . 6646 1 224 . 1 1 41 41 GLN N N 15 113.7 0.2 . 1 . . . . 460 Q N . 6646 1 225 . 1 1 42 42 HIS H H 1 8.05 0.02 . 1 . . . . 461 H H . 6646 1 226 . 1 1 42 42 HIS HA H 1 4.16 0.02 . 1 . . . . 461 H HA . 6646 1 227 . 1 1 42 42 HIS CA C 13 57.4 0.2 . 1 . . . . 461 H CA . 6646 1 228 . 1 1 42 42 HIS CB C 13 31.5 0.2 . 1 . . . . 461 H CB . 6646 1 229 . 1 1 42 42 HIS N N 15 124.5 0.2 . 1 . . . . 461 H N . 6646 1 230 . 1 1 43 43 PRO C C 13 178.2 0.2 . 1 . . . . 462 P C . 6646 1 231 . 1 1 43 43 PRO CA C 13 64.3 0.2 . 1 . . . . 462 P CA . 6646 1 232 . 1 1 43 43 PRO CB C 13 32.2 0.2 . 1 . . . . 462 P CB . 6646 1 233 . 1 1 44 44 ASN H H 1 11.31 0.02 . 1 . . . . 463 N H . 6646 1 234 . 1 1 44 44 ASN HA H 1 4.8 0.02 . 1 . . . . 463 N HA . 6646 1 235 . 1 1 44 44 ASN C C 13 174.8 0.2 . 1 . . . . 463 N C . 6646 1 236 . 1 1 44 44 ASN CA C 13 53.3 0.2 . 1 . . . . 463 N CA . 6646 1 237 . 1 1 44 44 ASN CB C 13 38.4 0.2 . 1 . . . . 463 N CB . 6646 1 238 . 1 1 44 44 ASN N N 15 119 0.2 . 1 . . . . 463 N N . 6646 1 239 . 1 1 45 45 ILE H H 1 7.82 0.02 . 1 . . . . 464 I H . 6646 1 240 . 1 1 45 45 ILE HA H 1 4.11 0.02 . 1 . . . . 464 I HA . 6646 1 241 . 1 1 45 45 ILE C C 13 173.1 0.2 . 1 . . . . 464 I C . 6646 1 242 . 1 1 45 45 ILE CA C 13 62.7 0.2 . 1 . . . . 464 I CA . 6646 1 243 . 1 1 45 45 ILE CB C 13 38.2 0.2 . 1 . . . . 464 I CB . 6646 1 244 . 1 1 45 45 ILE N N 15 121.7 0.2 . 1 . . . . 464 I N . 6646 1 245 . 1 1 46 46 PHE H H 1 8.99 0.02 . 1 . . . . 465 F H . 6646 1 246 . 1 1 46 46 PHE HA H 1 4.62 0.02 . 1 . . . . 465 F HA . 6646 1 247 . 1 1 46 46 PHE C C 13 174.4 0.2 . 1 . . . . 465 F C . 6646 1 248 . 1 1 46 46 PHE CA C 13 58.5 0.2 . 1 . . . . 465 F CA . 6646 1 249 . 1 1 46 46 PHE CB C 13 40.7 0.2 . 1 . . . . 465 F CB . 6646 1 250 . 1 1 46 46 PHE N N 15 128.6 0.2 . 1 . . . . 465 F N . 6646 1 251 . 1 1 47 47 ASP H H 1 8.22 0.02 . 1 . . . . 466 D H . 6646 1 252 . 1 1 47 47 ASP HA H 1 4.81 0.02 . 1 . . . . 466 D HA . 6646 1 253 . 1 1 47 47 ASP C C 13 173.1 0.2 . 1 . . . . 466 D C . 6646 1 254 . 1 1 47 47 ASP CA C 13 52.5 0.2 . 1 . . . . 466 D CA . 6646 1 255 . 1 1 47 47 ASP CB C 13 43.7 0.2 . 1 . . . . 466 D CB . 6646 1 256 . 1 1 47 47 ASP N N 15 115.3 0.2 . 1 . . . . 466 D N . 6646 1 257 . 1 1 48 48 ALA H H 1 8.32 0.02 . 1 . . . . 467 A H . 6646 1 258 . 1 1 48 48 ALA HA H 1 5.14 0.02 . 1 . . . . 467 A HA . 6646 1 259 . 1 1 48 48 ALA C C 13 174.2 0.2 . 1 . . . . 467 A C . 6646 1 260 . 1 1 48 48 ALA CA C 13 51.5 0.2 . 1 . . . . 467 A CA . 6646 1 261 . 1 1 48 48 ALA CB C 13 23.9 0.2 . 1 . . . . 467 A CB . 6646 1 262 . 1 1 48 48 ALA N N 15 122.2 0.2 . 1 . . . . 467 A N . 6646 1 263 . 1 1 49 49 GLY H H 1 8.64 0.02 . 1 . . . . 468 G H . 6646 1 264 . 1 1 49 49 GLY HA2 H 1 4.63 0.02 . 1 . . . . 468 G HA2 . 6646 1 265 . 1 1 49 49 GLY C C 13 171.1 0.2 . 1 . . . . 468 G C . 6646 1 266 . 1 1 49 49 GLY CA C 13 44.9 0.2 . 1 . . . . 468 G CA . 6646 1 267 . 1 1 49 49 GLY N N 15 105 0.2 . 1 . . . . 468 G N . 6646 1 268 . 1 1 50 50 VAL H H 1 10.37 0.02 . 1 . . . . 469 V H . 6646 1 269 . 1 1 50 50 VAL HA H 1 5.08 0.02 . 1 . . . . 469 V HA . 6646 1 270 . 1 1 50 50 VAL C C 13 173.9 0.2 . 1 . . . . 469 V C . 6646 1 271 . 1 1 50 50 VAL CA C 13 60.4 0.2 . 1 . . . . 469 V CA . 6646 1 272 . 1 1 50 50 VAL CB C 13 33.5 0.2 . 1 . . . . 469 V CB . 6646 1 273 . 1 1 50 50 VAL N N 15 127.2 0.2 . 1 . . . . 469 V N . 6646 1 274 . 1 1 51 51 ALA H H 1 8.62 0.02 . 1 . . . . 470 A H . 6646 1 275 . 1 1 51 51 ALA HA H 1 4.48 0.02 . 1 . . . . 470 A HA . 6646 1 276 . 1 1 51 51 ALA C C 13 174.2 0.2 . 1 . . . . 470 A C . 6646 1 277 . 1 1 51 51 ALA CA C 13 50.7 0.2 . 1 . . . . 470 A CA . 6646 1 278 . 1 1 51 51 ALA CB C 13 22.5 0.2 . 1 . . . . 470 A CB . 6646 1 279 . 1 1 51 51 ALA N N 15 125.1 0.2 . 1 . . . . 470 A N . 6646 1 280 . 1 1 52 52 GLY H H 1 8.71 0.02 . 1 . . . . 471 G H . 6646 1 281 . 1 1 52 52 GLY HA2 H 1 3.3 0.02 . 1 . . . . 471 G HA2 . 6646 1 282 . 1 1 52 52 GLY HA3 H 1 4.18 0.02 . 1 . . . . 471 G HA3 . 6646 1 283 . 1 1 52 52 GLY C C 13 172.1 0.2 . 1 . . . . 471 G C . 6646 1 284 . 1 1 52 52 GLY CA C 13 44.8 0.2 . 1 . . . . 471 G CA . 6646 1 285 . 1 1 52 52 GLY N N 15 105 0.2 . 1 . . . . 471 G N . 6646 1 286 . 1 1 53 53 LEU H H 1 9.16 0.02 . 1 . . . . 472 L H . 6646 1 287 . 1 1 53 53 LEU HA H 1 4.79 0.02 . 1 . . . . 472 L HA . 6646 1 288 . 1 1 53 53 LEU CA C 13 50.9 0.2 . 1 . . . . 472 L CA . 6646 1 289 . 1 1 53 53 LEU N N 15 128.3 0.2 . 1 . . . . 472 L N . 6646 1 290 . 1 1 54 54 PRO C C 13 175.4 0.2 . 1 . . . . 473 P C . 6646 1 291 . 1 1 54 54 PRO CA C 13 63.5 0.2 . 1 . . . . 473 P CA . 6646 1 292 . 1 1 54 54 PRO CB C 13 32.5 0.2 . 1 . . . . 473 P CB . 6646 1 293 . 1 1 55 55 ASP H H 1 8.09 0.02 . 1 . . . . 474 D H . 6646 1 294 . 1 1 55 55 ASP HA H 1 4.8 0.02 . 1 . . . . 474 D HA . 6646 1 295 . 1 1 55 55 ASP C C 13 175.5 0.2 . 1 . . . . 474 D C . 6646 1 296 . 1 1 55 55 ASP CA C 13 53.6 0.2 . 1 . . . . 474 D CA . 6646 1 297 . 1 1 55 55 ASP N N 15 122.9 0.2 . 1 . . . . 474 D N . 6646 1 298 . 1 1 56 56 ASP H H 1 8.98 0.02 . 1 . . . . 475 D H . 6646 1 299 . 1 1 56 56 ASP C C 13 176.3 0.2 . 1 . . . . 475 D C . 6646 1 300 . 1 1 56 56 ASP CA C 13 57.3 0.2 . 1 . . . . 475 D CA . 6646 1 301 . 1 1 56 56 ASP CB C 13 40.3 0.2 . 1 . . . . 475 D CB . 6646 1 302 . 1 1 56 56 ASP N N 15 126.6 0.2 . 1 . . . . 475 D N . 6646 1 303 . 1 1 57 57 ASP H H 1 8.02 0.02 . 1 . . . . 476 D H . 6646 1 304 . 1 1 57 57 ASP HA H 1 4.68 0.02 . 1 . . . . 476 D HA . 6646 1 305 . 1 1 57 57 ASP C C 13 177.3 0.2 . 1 . . . . 476 D C . 6646 1 306 . 1 1 57 57 ASP CA C 13 56.1 0.2 . 1 . . . . 476 D CA . 6646 1 307 . 1 1 57 57 ASP CB C 13 42.4 0.2 . 1 . . . . 476 D CB . 6646 1 308 . 1 1 57 57 ASP N N 15 117.3 0.2 . 1 . . . . 476 D N . 6646 1 309 . 1 1 58 58 ALA H H 1 9.14 0.02 . 1 . . . . 477 A H . 6646 1 310 . 1 1 58 58 ALA HA H 1 4.33 0.02 . 1 . . . . 477 A HA . 6646 1 311 . 1 1 58 58 ALA C C 13 176.9 0.2 . 1 . . . . 477 A C . 6646 1 312 . 1 1 58 58 ALA CA C 13 52.3 0.2 . 1 . . . . 477 A CA . 6646 1 313 . 1 1 58 58 ALA CB C 13 21.6 0.2 . 1 . . . . 477 A CB . 6646 1 314 . 1 1 58 58 ALA N N 15 120.2 0.2 . 1 . . . . 477 A N . 6646 1 315 . 1 1 59 59 GLY H H 1 8.04 0.02 . 1 . . . . 478 G H . 6646 1 316 . 1 1 59 59 GLY HA2 H 1 3.56 0.02 . 1 . . . . 478 G HA2 . 6646 1 317 . 1 1 59 59 GLY HA3 H 1 4.75 0.02 . 1 . . . . 478 G HA3 . 6646 1 318 . 1 1 59 59 GLY C C 13 174.8 0.2 . 1 . . . . 478 G C . 6646 1 319 . 1 1 59 59 GLY CA C 13 46.8 0.2 . 1 . . . . 478 G CA . 6646 1 320 . 1 1 59 59 GLY N N 15 110.8 0.2 . 1 . . . . 478 G N . 6646 1 321 . 1 1 60 60 GLU H H 1 8.23 0.02 . 1 . . . . 479 E H . 6646 1 322 . 1 1 60 60 GLU HA H 1 4.32 0.02 . 1 . . . . 479 E HA . 6646 1 323 . 1 1 60 60 GLU CA C 13 55.3 0.2 . 1 . . . . 479 E CA . 6646 1 324 . 1 1 60 60 GLU CB C 13 30.1 0.2 . 1 . . . . 479 E CB . 6646 1 325 . 1 1 60 60 GLU N N 15 122.5 0.2 . 1 . . . . 479 E N . 6646 1 326 . 1 1 62 62 PRO C C 13 174.3 0.2 . 1 . . . . 481 P C . 6646 1 327 . 1 1 62 62 PRO CA C 13 63.6 0.2 . 1 . . . . 481 P CA . 6646 1 328 . 1 1 62 62 PRO CB C 13 31.4 0.2 . 1 . . . . 481 P CB . 6646 1 329 . 1 1 63 63 ALA H H 1 8.68 0.02 . 1 . . . . 482 A H . 6646 1 330 . 1 1 63 63 ALA HA H 1 4.85 0.02 . 1 . . . . 482 A HA . 6646 1 331 . 1 1 63 63 ALA C C 13 173.7 0.2 . 1 . . . . 482 A C . 6646 1 332 . 1 1 63 63 ALA CA C 13 50.9 0.2 . 1 . . . . 482 A CA . 6646 1 333 . 1 1 63 63 ALA CB C 13 23.9 0.2 . 1 . . . . 482 A CB . 6646 1 334 . 1 1 63 63 ALA N N 15 128.7 0.2 . 1 . . . . 482 A N . 6646 1 335 . 1 1 64 64 ALA H H 1 8.48 0.02 . 1 . . . . 483 A H . 6646 1 336 . 1 1 64 64 ALA HA H 1 5.64 0.02 . 1 . . . . 483 A HA . 6646 1 337 . 1 1 64 64 ALA C C 13 176.3 0.2 . 1 . . . . 483 A C . 6646 1 338 . 1 1 64 64 ALA CA C 13 49.8 0.2 . 1 . . . . 483 A CA . 6646 1 339 . 1 1 64 64 ALA CB C 13 24.4 0.2 . 1 . . . . 483 A CB . 6646 1 340 . 1 1 64 64 ALA N N 15 117.7 0.2 . 1 . . . . 483 A N . 6646 1 341 . 1 1 65 65 VAL H H 1 9.11 0.02 . 1 . . . . 484 V H . 6646 1 342 . 1 1 65 65 VAL HA H 1 5.61 0.02 . 1 . . . . 484 V HA . 6646 1 343 . 1 1 65 65 VAL C C 13 175.4 0.2 . 1 . . . . 484 V C . 6646 1 344 . 1 1 65 65 VAL CA C 13 57.9 0.2 . 1 . . . . 484 V CA . 6646 1 345 . 1 1 65 65 VAL CB C 13 31.9 0.2 . 1 . . . . 484 V CB . 6646 1 346 . 1 1 65 65 VAL N N 15 113.6 0.2 . 1 . . . . 484 V N . 6646 1 347 . 1 1 66 66 VAL H H 1 8.38 0.02 . 1 . . . . 485 V H . 6646 1 348 . 1 1 66 66 VAL HA H 1 4.62 0.02 . 1 . . . . 485 V HA . 6646 1 349 . 1 1 66 66 VAL C C 13 173.3 0.2 . 1 . . . . 485 V C . 6646 1 350 . 1 1 66 66 VAL CA C 13 60.6 0.2 . 1 . . . . 485 V CA . 6646 1 351 . 1 1 66 66 VAL CB C 13 36.8 0.2 . 1 . . . . 485 V CB . 6646 1 352 . 1 1 66 66 VAL N N 15 121.1 0.2 . 1 . . . . 485 V N . 6646 1 353 . 1 1 67 67 VAL H H 1 8.64 0.02 . 1 . . . . 486 V H . 6646 1 354 . 1 1 67 67 VAL HA H 1 4.81 0.02 . 1 . . . . 486 V HA . 6646 1 355 . 1 1 67 67 VAL C C 13 177 0.2 . 1 . . . . 486 V C . 6646 1 356 . 1 1 67 67 VAL CA C 13 59.8 0.2 . 1 . . . . 486 V CA . 6646 1 357 . 1 1 67 67 VAL CB C 13 33.4 0.2 . 1 . . . . 486 V CB . 6646 1 358 . 1 1 67 67 VAL N N 15 125.8 0.2 . 1 . . . . 486 V N . 6646 1 359 . 1 1 68 68 LEU H H 1 9.07 0.02 . 1 . . . . 487 L H . 6646 1 360 . 1 1 68 68 LEU HA H 1 4.78 0.02 . 1 . . . . 487 L HA . 6646 1 361 . 1 1 68 68 LEU C C 13 178.2 0.2 . 1 . . . . 487 L C . 6646 1 362 . 1 1 68 68 LEU CA C 13 54.8 0.2 . 1 . . . . 487 L CA . 6646 1 363 . 1 1 68 68 LEU CB C 13 42.4 0.2 . 1 . . . . 487 L CB . 6646 1 364 . 1 1 68 68 LEU N N 15 128.4 0.2 . 1 . . . . 487 L N . 6646 1 365 . 1 1 69 69 GLU H H 1 8.35 0.02 . 1 . . . . 488 E H . 6646 1 366 . 1 1 69 69 GLU HA H 1 4.9 0.02 . 1 . . . . 488 E HA . 6646 1 367 . 1 1 69 69 GLU C C 13 176.1 0.2 . 1 . . . . 488 E C . 6646 1 368 . 1 1 69 69 GLU CA C 13 56.2 0.2 . 1 . . . . 488 E CA . 6646 1 369 . 1 1 69 69 GLU CB C 13 30.3 0.2 . 1 . . . . 488 E CB . 6646 1 370 . 1 1 69 69 GLU N N 15 121.4 0.2 . 1 . . . . 488 E N . 6646 1 371 . 1 1 70 70 HIS H H 1 8.75 0.02 . 1 . . . . 489 H H . 6646 1 372 . 1 1 70 70 HIS HA H 1 4.26 0.02 . 1 . . . . 489 H HA . 6646 1 373 . 1 1 70 70 HIS C C 13 176.8 0.2 . 1 . . . . 489 H C . 6646 1 374 . 1 1 70 70 HIS CA C 13 57.9 0.2 . 1 . . . . 489 H CA . 6646 1 375 . 1 1 70 70 HIS CB C 13 29.1 0.2 . 1 . . . . 489 H CB . 6646 1 376 . 1 1 70 70 HIS N N 15 121.9 0.2 . 1 . . . . 489 H N . 6646 1 377 . 1 1 71 71 GLY H H 1 8.68 0.02 . 1 . . . . 490 G H . 6646 1 378 . 1 1 71 71 GLY C C 13 173.6 0.2 . 1 . . . . 490 G C . 6646 1 379 . 1 1 71 71 GLY CA C 13 45.1 0.2 . 1 . . . . 490 G CA . 6646 1 380 . 1 1 71 71 GLY N N 15 113.3 0.2 . 1 . . . . 490 G N . 6646 1 381 . 1 1 72 72 LYS H H 1 7.75 0.02 . 1 . . . . 491 K H . 6646 1 382 . 1 1 72 72 LYS HA H 1 4.74 0.02 . 1 . . . . 491 K HA . 6646 1 383 . 1 1 72 72 LYS C C 13 175.1 0.2 . 1 . . . . 491 K C . 6646 1 384 . 1 1 72 72 LYS CA C 13 53.2 0.2 . 1 . . . . 491 K CA . 6646 1 385 . 1 1 72 72 LYS CB C 13 33 0.2 . 1 . . . . 491 K CB . 6646 1 386 . 1 1 72 72 LYS N N 15 118.6 0.2 . 1 . . . . 491 K N . 6646 1 387 . 1 1 73 73 THR H H 1 8.28 0.02 . 1 . . . . 492 T H . 6646 1 388 . 1 1 73 73 THR HA H 1 4.45 0.02 . 1 . . . . 492 T HA . 6646 1 389 . 1 1 73 73 THR C C 13 172.8 0.2 . 1 . . . . 492 T C . 6646 1 390 . 1 1 73 73 THR CA C 13 60.4 0.2 . 1 . . . . 492 T CA . 6646 1 391 . 1 1 73 73 THR CB C 13 70.6 0.2 . 1 . . . . 492 T CB . 6646 1 392 . 1 1 73 73 THR N N 15 112.7 0.2 . 1 . . . . 492 T N . 6646 1 393 . 1 1 74 74 MET H H 1 7.36 0.02 . 1 . . . . 493 M H . 6646 1 394 . 1 1 74 74 MET HA H 1 4.68 0.02 . 1 . . . . 493 M HA . 6646 1 395 . 1 1 74 74 MET C C 13 173.7 0.2 . 1 . . . . 493 M C . 6646 1 396 . 1 1 74 74 MET CA C 13 55.8 0.2 . 1 . . . . 493 M CA . 6646 1 397 . 1 1 74 74 MET CB C 13 37.4 0.2 . 1 . . . . 493 M CB . 6646 1 398 . 1 1 74 74 MET N N 15 122.2 0.2 . 1 . . . . 493 M N . 6646 1 399 . 1 1 75 75 THR H H 1 8.71 0.02 . 1 . . . . 494 T H . 6646 1 400 . 1 1 75 75 THR HA H 1 4.66 0.02 . 1 . . . . 494 T HA . 6646 1 401 . 1 1 75 75 THR C C 13 175.3 0.2 . 1 . . . . 494 T C . 6646 1 402 . 1 1 75 75 THR CA C 13 60 0.2 . 1 . . . . 494 T CA . 6646 1 403 . 1 1 75 75 THR CB C 13 71.6 0.2 . 1 . . . . 494 T CB . 6646 1 404 . 1 1 75 75 THR N N 15 112 0.2 . 1 . . . . 494 T N . 6646 1 405 . 1 1 76 76 GLU H H 1 9.36 0.02 . 1 . . . . 495 E H . 6646 1 406 . 1 1 76 76 GLU HA H 1 3.78 0.02 . 1 . . . . 495 E HA . 6646 1 407 . 1 1 76 76 GLU C C 13 177.1 0.2 . 1 . . . . 495 E C . 6646 1 408 . 1 1 76 76 GLU CA C 13 60.3 0.2 . 1 . . . . 495 E CA . 6646 1 409 . 1 1 76 76 GLU CB C 13 29.8 0.2 . 1 . . . . 495 E CB . 6646 1 410 . 1 1 76 76 GLU N N 15 121.1 0.2 . 1 . . . . 495 E N . 6646 1 411 . 1 1 77 77 LYS H H 1 8.49 0.02 . 1 . . . . 496 K H . 6646 1 412 . 1 1 77 77 LYS HA H 1 4.01 0.02 . 1 . . . . 496 K HA . 6646 1 413 . 1 1 77 77 LYS C C 13 177.4 0.2 . 1 . . . . 496 K C . 6646 1 414 . 1 1 77 77 LYS CA C 13 59 0.2 . 1 . . . . 496 K CA . 6646 1 415 . 1 1 77 77 LYS CB C 13 32.7 0.2 . 1 . . . . 496 K CB . 6646 1 416 . 1 1 77 77 LYS N N 15 118.4 0.2 . 1 . . . . 496 K N . 6646 1 417 . 1 1 78 78 GLU H H 1 7.86 0.02 . 1 . . . . 497 E H . 6646 1 418 . 1 1 78 78 GLU HA H 1 4.1 0.02 . 1 . . . . 497 E HA . 6646 1 419 . 1 1 78 78 GLU C C 13 180.4 0.2 . 1 . . . . 497 E C . 6646 1 420 . 1 1 78 78 GLU CA C 13 59.1 0.2 . 1 . . . . 497 E CA . 6646 1 421 . 1 1 78 78 GLU CB C 13 30.9 0.2 . 1 . . . . 497 E CB . 6646 1 422 . 1 1 78 78 GLU N N 15 116.6 0.2 . 1 . . . . 497 E N . 6646 1 423 . 1 1 79 79 ILE H H 1 7.84 0.02 . 1 . . . . 498 I H . 6646 1 424 . 1 1 79 79 ILE HA H 1 3.52 0.02 . 1 . . . . 498 I HA . 6646 1 425 . 1 1 79 79 ILE C C 13 176.9 0.2 . 1 . . . . 498 I C . 6646 1 426 . 1 1 79 79 ILE CA C 13 66.4 0.2 . 1 . . . . 498 I CA . 6646 1 427 . 1 1 79 79 ILE CB C 13 37.4 0.2 . 1 . . . . 498 I CB . 6646 1 428 . 1 1 79 79 ILE N N 15 120.4 0.2 . 1 . . . . 498 I N . 6646 1 429 . 1 1 80 80 VAL H H 1 8.81 0.02 . 1 . . . . 499 V H . 6646 1 430 . 1 1 80 80 VAL HA H 1 3.51 0.02 . 1 . . . . 499 V HA . 6646 1 431 . 1 1 80 80 VAL C C 13 179.5 0.2 . 1 . . . . 499 V C . 6646 1 432 . 1 1 80 80 VAL CA C 13 67.1 0.2 . 1 . . . . 499 V CA . 6646 1 433 . 1 1 80 80 VAL CB C 13 31.9 0.2 . 1 . . . . 499 V CB . 6646 1 434 . 1 1 80 80 VAL N N 15 121.3 0.2 . 1 . . . . 499 V N . 6646 1 435 . 1 1 81 81 ASP H H 1 9.08 0.02 . 1 . . . . 500 D H . 6646 1 436 . 1 1 81 81 ASP HA H 1 4.41 0.02 . 1 . . . . 500 D HA . 6646 1 437 . 1 1 81 81 ASP C C 13 178.8 0.2 . 1 . . . . 500 D C . 6646 1 438 . 1 1 81 81 ASP CA C 13 57 0.2 . 1 . . . . 500 D CA . 6646 1 439 . 1 1 81 81 ASP CB C 13 39.2 0.2 . 1 . . . . 500 D CB . 6646 1 440 . 1 1 81 81 ASP N N 15 121.8 0.2 . 1 . . . . 500 D N . 6646 1 441 . 1 1 82 82 TYR H H 1 7.95 0.02 . 1 . . . . 501 Y H . 6646 1 442 . 1 1 82 82 TYR HA H 1 4.51 0.02 . 1 . . . . 501 Y HA . 6646 1 443 . 1 1 82 82 TYR C C 13 178.9 0.2 . 1 . . . . 501 Y C . 6646 1 444 . 1 1 82 82 TYR CA C 13 60.3 0.2 . 1 . . . . 501 Y CA . 6646 1 445 . 1 1 82 82 TYR CB C 13 37.4 0.2 . 1 . . . . 501 Y CB . 6646 1 446 . 1 1 82 82 TYR N N 15 123 0.2 . 1 . . . . 501 Y N . 6646 1 447 . 1 1 83 83 VAL H H 1 8.45 0.02 . 1 . . . . 502 V H . 6646 1 448 . 1 1 83 83 VAL HA H 1 2.92 0.02 . 1 . . . . 502 V HA . 6646 1 449 . 1 1 83 83 VAL C C 13 177.4 0.2 . 1 . . . . 502 V C . 6646 1 450 . 1 1 83 83 VAL CA C 13 67.2 0.2 . 1 . . . . 502 V CA . 6646 1 451 . 1 1 83 83 VAL CB C 13 31.3 0.2 . 1 . . . . 502 V CB . 6646 1 452 . 1 1 83 83 VAL N N 15 121.5 0.2 . 1 . . . . 502 V N . 6646 1 453 . 1 1 84 84 ALA H H 1 8.24 0.02 . 1 . . . . 503 A H . 6646 1 454 . 1 1 84 84 ALA HA H 1 3.88 0.02 . 1 . . . . 503 A HA . 6646 1 455 . 1 1 84 84 ALA C C 13 178.4 0.2 . 1 . . . . 503 A C . 6646 1 456 . 1 1 84 84 ALA CA C 13 54.8 0.2 . 1 . . . . 503 A CA . 6646 1 457 . 1 1 84 84 ALA CB C 13 18.2 0.2 . 1 . . . . 503 A CB . 6646 1 458 . 1 1 84 84 ALA N N 15 119.4 0.2 . 1 . . . . 503 A N . 6646 1 459 . 1 1 85 85 SER H H 1 7.49 0.02 . 1 . . . . 504 S H . 6646 1 460 . 1 1 85 85 SER HA H 1 4.37 0.02 . 1 . . . . 504 S HA . 6646 1 461 . 1 1 85 85 SER C C 13 174.4 0.2 . 1 . . . . 504 S C . 6646 1 462 . 1 1 85 85 SER CA C 13 60.1 0.2 . 1 . . . . 504 S CA . 6646 1 463 . 1 1 85 85 SER CB C 13 63.8 0.2 . 1 . . . . 504 S CB . 6646 1 464 . 1 1 85 85 SER N N 15 109.9 0.2 . 1 . . . . 504 S N . 6646 1 465 . 1 1 86 86 GLN H H 1 7.84 0.02 . 1 . . . . 505 Q H . 6646 1 466 . 1 1 86 86 GLN HA H 1 4.46 0.02 . 1 . . . . 505 Q HA . 6646 1 467 . 1 1 86 86 GLN C C 13 175.3 0.2 . 1 . . . . 505 Q C . 6646 1 468 . 1 1 86 86 GLN CA C 13 55.3 0.2 . 1 . . . . 505 Q CA . 6646 1 469 . 1 1 86 86 GLN CB C 13 32.3 0.2 . 1 . . . . 505 Q CB . 6646 1 470 . 1 1 86 86 GLN N N 15 117.9 0.2 . 1 . . . . 505 Q N . 6646 1 471 . 1 1 87 87 VAL H H 1 7.04 0.02 . 1 . . . . 506 V H . 6646 1 472 . 1 1 87 87 VAL HA H 1 4.94 0.02 . 1 . . . . 506 V HA . 6646 1 473 . 1 1 87 87 VAL C C 13 175.5 0.2 . 1 . . . . 506 V C . 6646 1 474 . 1 1 87 87 VAL CA C 13 58.7 0.2 . 1 . . . . 506 V CA . 6646 1 475 . 1 1 87 87 VAL CB C 13 36.2 0.2 . 1 . . . . 506 V CB . 6646 1 476 . 1 1 87 87 VAL N N 15 110.1 0.2 . 1 . . . . 506 V N . 6646 1 477 . 1 1 88 88 THR H H 1 7.38 0.02 . 1 . . . . 507 T H . 6646 1 478 . 1 1 88 88 THR HA H 1 4.42 0.02 . 1 . . . . 507 T HA . 6646 1 479 . 1 1 88 88 THR C C 13 175.9 0.2 . 1 . . . . 507 T C . 6646 1 480 . 1 1 88 88 THR CA C 13 60.8 0.2 . 1 . . . . 507 T CA . 6646 1 481 . 1 1 88 88 THR CB C 13 69.2 0.2 . 1 . . . . 507 T CB . 6646 1 482 . 1 1 88 88 THR N N 15 109.7 0.2 . 1 . . . . 507 T N . 6646 1 483 . 1 1 89 89 THR H H 1 8.14 0.02 . 1 . . . . 508 T H . 6646 1 484 . 1 1 89 89 THR C C 13 175.3 0.2 . 1 . . . . 508 T C . 6646 1 485 . 1 1 89 89 THR CA C 13 65.5 0.2 . 1 . . . . 508 T CA . 6646 1 486 . 1 1 89 89 THR CB C 13 68.6 0.2 . 1 . . . . 508 T CB . 6646 1 487 . 1 1 89 89 THR N N 15 112.9 0.2 . 1 . . . . 508 T N . 6646 1 488 . 1 1 90 90 ALA H H 1 8.18 0.02 . 1 . . . . 509 A H . 6646 1 489 . 1 1 90 90 ALA HA H 1 3.88 0.02 . 1 . . . . 509 A HA . 6646 1 490 . 1 1 90 90 ALA CA C 13 54.7 0.2 . 1 . . . . 509 A CA . 6646 1 491 . 1 1 90 90 ALA CB C 13 18.6 0.2 . 1 . . . . 509 A CB . 6646 1 492 . 1 1 90 90 ALA N N 15 122.2 0.2 . 1 . . . . 509 A N . 6646 1 493 . 1 1 92 92 LYS C C 13 178 0.2 . 1 . . . . 511 K C . 6646 1 494 . 1 1 92 92 LYS CA C 13 57.3 0.2 . 1 . . . . 511 K CA . 6646 1 495 . 1 1 92 92 LYS CB C 13 33.1 0.2 . 1 . . . . 511 K CB . 6646 1 496 . 1 1 93 93 LEU H H 1 8.71 0.02 . 1 . . . . 512 L H . 6646 1 497 . 1 1 93 93 LEU HA H 1 4.33 0.02 . 1 . . . . 512 L HA . 6646 1 498 . 1 1 93 93 LEU C C 13 176.4 0.2 . 1 . . . . 512 L C . 6646 1 499 . 1 1 93 93 LEU CA C 13 53 0.2 . 1 . . . . 512 L CA . 6646 1 500 . 1 1 93 93 LEU CB C 13 41.4 0.2 . 1 . . . . 512 L CB . 6646 1 501 . 1 1 93 93 LEU N N 15 124.8 0.2 . 1 . . . . 512 L N . 6646 1 502 . 1 1 94 94 ARG H H 1 8.05 0.02 . 1 . . . . 513 R H . 6646 1 503 . 1 1 94 94 ARG HA H 1 4.07 0.02 . 1 . . . . 513 R HA . 6646 1 504 . 1 1 94 94 ARG C C 13 177 0.2 . 1 . . . . 513 R C . 6646 1 505 . 1 1 94 94 ARG CA C 13 58.4 0.2 . 1 . . . . 513 R CA . 6646 1 506 . 1 1 94 94 ARG CB C 13 32.4 0.2 . 1 . . . . 513 R CB . 6646 1 507 . 1 1 94 94 ARG N N 15 121.5 0.2 . 1 . . . . 513 R N . 6646 1 508 . 1 1 95 95 GLY H H 1 9.1 0.02 . 1 . . . . 514 G H . 6646 1 509 . 1 1 95 95 GLY HA2 H 1 3.19 0.02 . 1 . . . . 514 G HA2 . 6646 1 510 . 1 1 95 95 GLY HA3 H 1 3.98 0.02 . 1 . . . . 514 G HA3 . 6646 1 511 . 1 1 95 95 GLY C C 13 172.7 0.2 . 1 . . . . 514 G C . 6646 1 512 . 1 1 95 95 GLY CA C 13 45.1 0.2 . 1 . . . . 514 G CA . 6646 1 513 . 1 1 95 95 GLY N N 15 106.4 0.2 . 1 . . . . 514 G N . 6646 1 514 . 1 1 96 96 GLY H H 1 7.29 0.02 . 1 . . . . 515 G H . 6646 1 515 . 1 1 96 96 GLY HA2 H 1 3.36 0.02 . 1 . . . . 515 G HA2 . 6646 1 516 . 1 1 96 96 GLY HA3 H 1 4.29 0.02 . 1 . . . . 515 G HA3 . 6646 1 517 . 1 1 96 96 GLY C C 13 171.1 0.2 . 1 . . . . 515 G C . 6646 1 518 . 1 1 96 96 GLY CA C 13 44.2 0.2 . 1 . . . . 515 G CA . 6646 1 519 . 1 1 96 96 GLY N N 15 105.6 0.2 . 1 . . . . 515 G N . 6646 1 520 . 1 1 97 97 VAL H H 1 8.96 0.02 . 1 . . . . 516 V H . 6646 1 521 . 1 1 97 97 VAL HA H 1 5.11 0.02 . 1 . . . . 516 V HA . 6646 1 522 . 1 1 97 97 VAL C C 13 174.4 0.2 . 1 . . . . 516 V C . 6646 1 523 . 1 1 97 97 VAL CA C 13 59.5 0.2 . 1 . . . . 516 V CA . 6646 1 524 . 1 1 97 97 VAL CB C 13 36.8 0.2 . 1 . . . . 516 V CB . 6646 1 525 . 1 1 97 97 VAL N N 15 115.8 0.2 . 1 . . . . 516 V N . 6646 1 526 . 1 1 98 98 VAL H H 1 8.56 0.02 . 1 . . . . 517 V H . 6646 1 527 . 1 1 98 98 VAL HA H 1 4.05 0.02 . 1 . . . . 517 V HA . 6646 1 528 . 1 1 98 98 VAL C C 13 174.6 0.2 . 1 . . . . 517 V C . 6646 1 529 . 1 1 98 98 VAL CA C 13 60.5 0.2 . 1 . . . . 517 V CA . 6646 1 530 . 1 1 98 98 VAL CB C 13 35.1 0.2 . 1 . . . . 517 V CB . 6646 1 531 . 1 1 98 98 VAL N N 15 124.5 0.2 . 1 . . . . 517 V N . 6646 1 532 . 1 1 99 99 PHE H H 1 8.77 0.02 . 1 . . . . 518 F H . 6646 1 533 . 1 1 99 99 PHE HA H 1 5.21 0.02 . 1 . . . . 518 F HA . 6646 1 534 . 1 1 99 99 PHE C C 13 175.9 0.2 . 1 . . . . 518 F C . 6646 1 535 . 1 1 99 99 PHE CA C 13 58.3 0.2 . 1 . . . . 518 F CA . 6646 1 536 . 1 1 99 99 PHE CB C 13 39.1 0.2 . 1 . . . . 518 F CB . 6646 1 537 . 1 1 99 99 PHE N N 15 127.1 0.2 . 1 . . . . 518 F N . 6646 1 538 . 1 1 100 100 VAL H H 1 8.67 0.02 . 1 . . . . 519 V H . 6646 1 539 . 1 1 100 100 VAL HA H 1 4.86 0.02 . 1 . . . . 519 V HA . 6646 1 540 . 1 1 100 100 VAL C C 13 174.6 0.2 . 1 . . . . 519 V C . 6646 1 541 . 1 1 100 100 VAL CA C 13 58.4 0.2 . 1 . . . . 519 V CA . 6646 1 542 . 1 1 100 100 VAL CB C 13 36.6 0.2 . 1 . . . . 519 V CB . 6646 1 543 . 1 1 100 100 VAL N N 15 115.6 0.2 . 1 . . . . 519 V N . 6646 1 544 . 1 1 101 101 ASP H H 1 8.58 0.02 . 1 . . . . 520 D H . 6646 1 545 . 1 1 101 101 ASP HA H 1 4.87 0.02 . 1 . . . . 520 D HA . 6646 1 546 . 1 1 101 101 ASP C C 13 176.6 0.2 . 1 . . . . 520 D C . 6646 1 547 . 1 1 101 101 ASP CA C 13 55.2 0.2 . 1 . . . . 520 D CA . 6646 1 548 . 1 1 101 101 ASP CB C 13 41 0.2 . 1 . . . . 520 D CB . 6646 1 549 . 1 1 101 101 ASP N N 15 116.8 0.2 . 1 . . . . 520 D N . 6646 1 550 . 1 1 102 102 GLU H H 1 7.25 0.02 . 1 . . . . 521 E H . 6646 1 551 . 1 1 102 102 GLU HA H 1 4.37 0.02 . 1 . . . . 521 E HA . 6646 1 552 . 1 1 102 102 GLU C C 13 173.7 0.2 . 1 . . . . 521 E C . 6646 1 553 . 1 1 102 102 GLU CA C 13 55 0.2 . 1 . . . . 521 E CA . 6646 1 554 . 1 1 102 102 GLU CB C 13 32.5 0.2 . 1 . . . . 521 E CB . 6646 1 555 . 1 1 102 102 GLU N N 15 117 0.2 . 1 . . . . 521 E N . 6646 1 556 . 1 1 103 103 VAL H H 1 9.29 0.02 . 1 . . . . 522 V H . 6646 1 557 . 1 1 103 103 VAL HA H 1 3.88 0.02 . 1 . . . . 522 V HA . 6646 1 558 . 1 1 103 103 VAL CA C 13 60.2 0.2 . 1 . . . . 522 V CA . 6646 1 559 . 1 1 103 103 VAL CB C 13 32.2 0.2 . 1 . . . . 522 V CB . 6646 1 560 . 1 1 103 103 VAL N N 15 127.9 0.2 . 1 . . . . 522 V N . 6646 1 561 . 1 1 104 104 PRO C C 13 175.2 0.2 . 1 . . . . 523 P C . 6646 1 562 . 1 1 104 104 PRO CA C 13 63.5 0.2 . 1 . . . . 523 P CA . 6646 1 563 . 1 1 104 104 PRO CB C 13 32.6 0.2 . 1 . . . . 523 P CB . 6646 1 564 . 1 1 105 105 LYS H H 1 8.35 0.02 . 1 . . . . 524 K H . 6646 1 565 . 1 1 105 105 LYS HA H 1 4.9 0.02 . 1 . . . . 524 K HA . 6646 1 566 . 1 1 105 105 LYS C C 13 177.4 0.2 . 1 . . . . 524 K C . 6646 1 567 . 1 1 105 105 LYS CA C 13 54.2 0.2 . 1 . . . . 524 K CA . 6646 1 568 . 1 1 105 105 LYS CB C 13 36.7 0.2 . 1 . . . . 524 K CB . 6646 1 569 . 1 1 105 105 LYS N N 15 122.2 0.2 . 1 . . . . 524 K N . 6646 1 570 . 1 1 106 106 GLY H H 1 8.76 0.02 . 1 . . . . 525 G H . 6646 1 571 . 1 1 106 106 GLY HA2 H 1 3.96 0.02 . 1 . . . . 525 G HA2 . 6646 1 572 . 1 1 106 106 GLY HA3 H 1 4.52 0.02 . 1 . . . . 525 G HA3 . 6646 1 573 . 1 1 106 106 GLY C C 13 175.9 0.2 . 1 . . . . 525 G C . 6646 1 574 . 1 1 106 106 GLY CA C 13 43.8 0.2 . 1 . . . . 525 G CA . 6646 1 575 . 1 1 106 106 GLY N N 15 107.7 0.2 . 1 . . . . 525 G N . 6646 1 576 . 1 1 107 107 LEU H H 1 8.77 0.02 . 1 . . . . 526 L H . 6646 1 577 . 1 1 107 107 LEU HA H 1 4.49 0.02 . 1 . . . . 526 L HA . 6646 1 578 . 1 1 107 107 LEU C C 13 178.8 0.2 . 1 . . . . 526 L C . 6646 1 579 . 1 1 107 107 LEU CA C 13 57.5 0.2 . 1 . . . . 526 L CA . 6646 1 580 . 1 1 107 107 LEU CB C 13 42.3 0.2 . 1 . . . . 526 L CB . 6646 1 581 . 1 1 107 107 LEU N N 15 120.4 0.2 . 1 . . . . 526 L N . 6646 1 582 . 1 1 108 108 THR H H 1 8.07 0.02 . 1 . . . . 527 T H . 6646 1 583 . 1 1 108 108 THR HA H 1 4.46 0.02 . 1 . . . . 527 T HA . 6646 1 584 . 1 1 108 108 THR C C 13 175 0.2 . 1 . . . . 527 T C . 6646 1 585 . 1 1 108 108 THR CA C 13 60.6 0.2 . 1 . . . . 527 T CA . 6646 1 586 . 1 1 108 108 THR CB C 13 68.9 0.2 . 1 . . . . 527 T CB . 6646 1 587 . 1 1 108 108 THR N N 15 106.1 0.2 . 1 . . . . 527 T N . 6646 1 588 . 1 1 109 109 GLY H H 1 7.95 0.02 . 1 . . . . 528 G H . 6646 1 589 . 1 1 109 109 GLY HA2 H 1 3.61 0.02 . 1 . . . . 528 G HA2 . 6646 1 590 . 1 1 109 109 GLY HA3 H 1 4.31 0.02 . 1 . . . . 528 G HA3 . 6646 1 591 . 1 1 109 109 GLY C C 13 173.6 0.2 . 1 . . . . 528 G C . 6646 1 592 . 1 1 109 109 GLY CA C 13 45.2 0.2 . 1 . . . . 528 G CA . 6646 1 593 . 1 1 109 109 GLY N N 15 108.8 0.2 . 1 . . . . 528 G N . 6646 1 594 . 1 1 110 110 LYS H H 1 7.99 0.02 . 1 . . . . 529 K H . 6646 1 595 . 1 1 110 110 LYS HA H 1 4.46 0.02 . 1 . . . . 529 K HA . 6646 1 596 . 1 1 110 110 LYS C C 13 176.4 0.2 . 1 . . . . 529 K C . 6646 1 597 . 1 1 110 110 LYS CA C 13 55 0.2 . 1 . . . . 529 K CA . 6646 1 598 . 1 1 110 110 LYS CB C 13 32.8 0.2 . 1 . . . . 529 K CB . 6646 1 599 . 1 1 110 110 LYS N N 15 120 0.2 . 1 . . . . 529 K N . 6646 1 600 . 1 1 111 111 LEU H H 1 8.61 0.02 . 1 . . . . 530 L H . 6646 1 601 . 1 1 111 111 LEU HA H 1 4.16 0.02 . 1 . . . . 530 L HA . 6646 1 602 . 1 1 111 111 LEU C C 13 177 0.2 . 1 . . . . 530 L C . 6646 1 603 . 1 1 111 111 LEU CA C 13 56.7 0.2 . 1 . . . . 530 L CA . 6646 1 604 . 1 1 111 111 LEU CB C 13 41.9 0.2 . 1 . . . . 530 L CB . 6646 1 605 . 1 1 111 111 LEU N N 15 124.2 0.2 . 1 . . . . 530 L N . 6646 1 606 . 1 1 112 112 ASP H H 1 8.23 0.02 . 1 . . . . 531 D H . 6646 1 607 . 1 1 112 112 ASP HA H 1 4.75 0.02 . 1 . . . . 531 D HA . 6646 1 608 . 1 1 112 112 ASP C C 13 174.8 0.2 . 1 . . . . 531 D C . 6646 1 609 . 1 1 112 112 ASP CA C 13 52 0.2 . 1 . . . . 531 D CA . 6646 1 610 . 1 1 112 112 ASP CB C 13 40.2 0.2 . 1 . . . . 531 D CB . 6646 1 611 . 1 1 112 112 ASP N N 15 122.9 0.2 . 1 . . . . 531 D N . 6646 1 612 . 1 1 113 113 ALA H H 1 8.2 0.02 . 1 . . . . 532 A H . 6646 1 613 . 1 1 113 113 ALA HA H 1 3.94 0.02 . 1 . . . . 532 A HA . 6646 1 614 . 1 1 113 113 ALA C C 13 179.4 0.2 . 1 . . . . 532 A C . 6646 1 615 . 1 1 113 113 ALA CA C 13 55.3 0.2 . 1 . . . . 532 A CA . 6646 1 616 . 1 1 113 113 ALA CB C 13 18.9 0.2 . 1 . . . . 532 A CB . 6646 1 617 . 1 1 113 113 ALA N N 15 126.9 0.2 . 1 . . . . 532 A N . 6646 1 618 . 1 1 114 114 ARG H H 1 8.16 0.02 . 1 . . . . 533 R H . 6646 1 619 . 1 1 114 114 ARG HA H 1 3.98 0.02 . 1 . . . . 533 R HA . 6646 1 620 . 1 1 114 114 ARG C C 13 178.9 0.2 . 1 . . . . 533 R C . 6646 1 621 . 1 1 114 114 ARG CA C 13 59.3 0.2 . 1 . . . . 533 R CA . 6646 1 622 . 1 1 114 114 ARG CB C 13 29.6 0.2 . 1 . . . . 533 R CB . 6646 1 623 . 1 1 114 114 ARG N N 15 118.3 0.2 . 1 . . . . 533 R N . 6646 1 624 . 1 1 115 115 LYS H H 1 7.67 0.02 . 1 . . . . 534 K H . 6646 1 625 . 1 1 115 115 LYS HA H 1 4.02 0.02 . 1 . . . . 534 K HA . 6646 1 626 . 1 1 115 115 LYS C C 13 179.1 0.2 . 1 . . . . 534 K C . 6646 1 627 . 1 1 115 115 LYS CA C 13 58.3 0.2 . 1 . . . . 534 K CA . 6646 1 628 . 1 1 115 115 LYS CB C 13 32.5 0.2 . 1 . . . . 534 K CB . 6646 1 629 . 1 1 115 115 LYS N N 15 120.3 0.2 . 1 . . . . 534 K N . 6646 1 630 . 1 1 116 116 ILE H H 1 8.17 0.02 . 1 . . . . 535 I H . 6646 1 631 . 1 1 116 116 ILE HA H 1 3.43 0.02 . 1 . . . . 535 I HA . 6646 1 632 . 1 1 116 116 ILE C C 13 176.5 0.2 . 1 . . . . 535 I C . 6646 1 633 . 1 1 116 116 ILE CA C 13 66 0.2 . 1 . . . . 535 I CA . 6646 1 634 . 1 1 116 116 ILE CB C 13 37.6 0.2 . 1 . . . . 535 I CB . 6646 1 635 . 1 1 116 116 ILE N N 15 119.2 0.2 . 1 . . . . 535 I N . 6646 1 636 . 1 1 117 117 ARG H H 1 7.99 0.02 . 1 . . . . 536 R H . 6646 1 637 . 1 1 117 117 ARG HA H 1 3.74 0.02 . 1 . . . . 536 R HA . 6646 1 638 . 1 1 117 117 ARG C C 13 177.2 0.2 . 1 . . . . 536 R C . 6646 1 639 . 1 1 117 117 ARG CA C 13 60.3 0.2 . 1 . . . . 536 R CA . 6646 1 640 . 1 1 117 117 ARG CB C 13 30.2 0.2 . 1 . . . . 536 R CB . 6646 1 641 . 1 1 117 117 ARG N N 15 118.7 0.2 . 1 . . . . 536 R N . 6646 1 642 . 1 1 118 118 GLU H H 1 7.76 0.02 . 1 . . . . 537 E H . 6646 1 643 . 1 1 118 118 GLU HA H 1 3.97 0.02 . 1 . . . . 537 E HA . 6646 1 644 . 1 1 118 118 GLU C C 13 178.9 0.2 . 1 . . . . 537 E C . 6646 1 645 . 1 1 118 118 GLU CA C 13 59.7 0.2 . 1 . . . . 537 E CA . 6646 1 646 . 1 1 118 118 GLU CB C 13 29.7 0.2 . 1 . . . . 537 E CB . 6646 1 647 . 1 1 118 118 GLU N N 15 117.5 0.2 . 1 . . . . 537 E N . 6646 1 648 . 1 1 119 119 ILE H H 1 8.02 0.02 . 1 . . . . 538 I H . 6646 1 649 . 1 1 119 119 ILE HA H 1 3.63 0.02 . 1 . . . . 538 I HA . 6646 1 650 . 1 1 119 119 ILE C C 13 178.7 0.2 . 1 . . . . 538 I C . 6646 1 651 . 1 1 119 119 ILE CA C 13 65.2 0.2 . 1 . . . . 538 I CA . 6646 1 652 . 1 1 119 119 ILE N N 15 120.4 0.2 . 1 . . . . 538 I N . 6646 1 653 . 1 1 120 120 LEU H H 1 7.99 0.02 . 1 . . . . 539 L H . 6646 1 654 . 1 1 120 120 LEU HA H 1 4.45 0.02 . 1 . . . . 539 L HA . 6646 1 655 . 1 1 120 120 LEU C C 13 178.2 0.2 . 1 . . . . 539 L C . 6646 1 656 . 1 1 120 120 LEU CA C 13 58.1 0.2 . 1 . . . . 539 L CA . 6646 1 657 . 1 1 120 120 LEU CB C 13 42.5 0.2 . 1 . . . . 539 L CB . 6646 1 658 . 1 1 120 120 LEU N N 15 119.7 0.2 . 1 . . . . 539 L N . 6646 1 659 . 1 1 121 121 ILE H H 1 8.6 0.02 . 1 . . . . 540 I H . 6646 1 660 . 1 1 121 121 ILE HA H 1 3.47 0.02 . 1 . . . . 540 I HA . 6646 1 661 . 1 1 121 121 ILE C C 13 178.6 0.2 . 1 . . . . 540 I C . 6646 1 662 . 1 1 121 121 ILE CA C 13 65.4 0.2 . 1 . . . . 540 I CA . 6646 1 663 . 1 1 121 121 ILE CB C 13 38.2 0.2 . 1 . . . . 540 I CB . 6646 1 664 . 1 1 121 121 ILE N N 15 119 0.2 . 1 . . . . 540 I N . 6646 1 665 . 1 1 122 122 LYS H H 1 8.06 0.02 . 1 . . . . 541 K H . 6646 1 666 . 1 1 122 122 LYS HA H 1 3.98 0.02 . 1 . . . . 541 K HA . 6646 1 667 . 1 1 122 122 LYS C C 13 178.4 0.2 . 1 . . . . 541 K C . 6646 1 668 . 1 1 122 122 LYS CA C 13 59.2 0.2 . 1 . . . . 541 K CA . 6646 1 669 . 1 1 122 122 LYS CB C 13 32.6 0.2 . 1 . . . . 541 K CB . 6646 1 670 . 1 1 122 122 LYS N N 15 119.6 0.2 . 1 . . . . 541 K N . 6646 1 671 . 1 1 123 123 ALA H H 1 7.84 0.02 . 1 . . . . 542 A H . 6646 1 672 . 1 1 123 123 ALA HA H 1 4.32 0.02 . 1 . . . . 542 A HA . 6646 1 673 . 1 1 123 123 ALA C C 13 179.8 0.2 . 1 . . . . 542 A C . 6646 1 674 . 1 1 123 123 ALA CA C 13 54.3 0.2 . 1 . . . . 542 A CA . 6646 1 675 . 1 1 123 123 ALA CB C 13 20.9 0.2 . 1 . . . . 542 A CB . 6646 1 676 . 1 1 123 123 ALA N N 15 118.4 0.2 . 1 . . . . 542 A N . 6646 1 677 . 1 1 124 124 LYS H H 1 8.25 0.02 . 1 . . . . 543 K H . 6646 1 678 . 1 1 124 124 LYS HA H 1 4.48 0.02 . 1 . . . . 543 K HA . 6646 1 679 . 1 1 124 124 LYS C C 13 177.8 0.2 . 1 . . . . 543 K C . 6646 1 680 . 1 1 124 124 LYS CA C 13 56 0.2 . 1 . . . . 543 K CA . 6646 1 681 . 1 1 124 124 LYS CB C 13 33.8 0.2 . 1 . . . . 543 K CB . 6646 1 682 . 1 1 124 124 LYS N N 15 114.3 0.2 . 1 . . . . 543 K N . 6646 1 683 . 1 1 125 125 LYS H H 1 8.15 0.02 . 1 . . . . 544 K H . 6646 1 684 . 1 1 125 125 LYS HA H 1 4.6 0.02 . 1 . . . . 544 K HA . 6646 1 685 . 1 1 125 125 LYS C C 13 177.2 0.2 . 1 . . . . 544 K C . 6646 1 686 . 1 1 125 125 LYS CA C 13 55.8 0.2 . 1 . . . . 544 K CA . 6646 1 687 . 1 1 125 125 LYS CB C 13 32.1 0.2 . 1 . . . . 544 K CB . 6646 1 688 . 1 1 125 125 LYS N N 15 118.7 0.2 . 1 . . . . 544 K N . 6646 1 689 . 1 1 126 126 GLY H H 1 8.14 0.02 . 1 . . . . 545 G H . 6646 1 690 . 1 1 126 126 GLY HA2 H 1 4.04 0.02 . 1 . . . . 545 G HA2 . 6646 1 691 . 1 1 126 126 GLY C C 13 174.7 0.2 . 1 . . . . 545 G C . 6646 1 692 . 1 1 126 126 GLY CA C 13 45.2 0.2 . 1 . . . . 545 G CA . 6646 1 693 . 1 1 126 126 GLY N N 15 108.6 0.2 . 1 . . . . 545 G N . 6646 1 694 . 1 1 127 127 GLY H H 1 8.3 0.02 . 1 . . . . 546 G H . 6646 1 695 . 1 1 127 127 GLY HA2 H 1 4 0.02 . 1 . . . . 546 G HA2 . 6646 1 696 . 1 1 127 127 GLY C C 13 174.1 0.2 . 1 . . . . 546 G C . 6646 1 697 . 1 1 127 127 GLY CA C 13 45.4 0.2 . 1 . . . . 546 G CA . 6646 1 698 . 1 1 127 127 GLY N N 15 108.5 0.2 . 1 . . . . 546 G N . 6646 1 699 . 1 1 128 128 LYS H H 1 8.28 0.02 . 1 . . . . 547 K H . 6646 1 700 . 1 1 128 128 LYS HA H 1 4.45 0.02 . 1 . . . . 547 K HA . 6646 1 701 . 1 1 128 128 LYS C C 13 176.6 0.2 . 1 . . . . 547 K C . 6646 1 702 . 1 1 128 128 LYS CA C 13 56 0.2 . 1 . . . . 547 K CA . 6646 1 703 . 1 1 128 128 LYS CB C 13 33.1 0.2 . 1 . . . . 547 K CB . 6646 1 704 . 1 1 128 128 LYS N N 15 120.7 0.2 . 1 . . . . 547 K N . 6646 1 705 . 1 1 129 129 SER H H 1 8.43 0.02 . 1 . . . . 548 S H . 6646 1 706 . 1 1 129 129 SER HA H 1 4.45 0.02 . 1 . . . . 548 S HA . 6646 1 707 . 1 1 129 129 SER C C 13 174.1 0.2 . 1 . . . . 548 S C . 6646 1 708 . 1 1 129 129 SER CA C 13 58.3 0.2 . 1 . . . . 548 S CA . 6646 1 709 . 1 1 129 129 SER CB C 13 63.6 0.2 . 1 . . . . 548 S CB . 6646 1 710 . 1 1 129 129 SER N N 15 117.2 0.2 . 1 . . . . 548 S N . 6646 1 711 . 1 1 130 130 LYS H H 1 8.38 0.02 . 1 . . . . 549 K H . 6646 1 712 . 1 1 130 130 LYS HA H 1 4.43 0.02 . 1 . . . . 549 K HA . 6646 1 713 . 1 1 130 130 LYS C C 13 175.2 0.2 . 1 . . . . 549 K C . 6646 1 714 . 1 1 130 130 LYS CA C 13 56.2 0.2 . 1 . . . . 549 K CA . 6646 1 715 . 1 1 130 130 LYS CB C 13 32.8 0.2 . 1 . . . . 549 K CB . 6646 1 716 . 1 1 130 130 LYS N N 15 123.8 0.2 . 1 . . . . 549 K N . 6646 1 717 . 1 1 131 131 LEU H H 1 7.97 0.02 . 1 . . . . 550 L H . 6646 1 718 . 1 1 131 131 LEU HA H 1 4.18 0.02 . 1 . . . . 550 L HA . 6646 1 719 . 1 1 131 131 LEU CA C 13 56.8 0.2 . 1 . . . . 550 L CA . 6646 1 720 . 1 1 131 131 LEU CB C 13 43.1 0.2 . 1 . . . . 550 L CB . 6646 1 721 . 1 1 131 131 LEU N N 15 129.2 0.2 . 1 . . . . 550 L N . 6646 1 stop_ save_