data_51624 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51624 _Entry.Title ; CPSF73-CPSF100 C-terminal heterodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-12 _Entry.Accession_date 2022-09-12 _Entry.Last_release_date 2022-09-12 _Entry.Original_release_date 2022-09-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Heterodimer formed by CTD1-CTD2 of E. cuniculi CPSF73 and CPSF100' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Stephane Thore . . . . 51624 2 Cameron Mackereth . D. . 0000-0002-0776-7947 51624 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51624 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 889 51624 '15N chemical shifts' 230 51624 '1H chemical shifts' 1572 51624 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 2 . . 2023-06-26 2022-09-12 update BMRB 'update entry citation' 51624 1 . . 2023-02-08 2022-09-12 original author 'original release' 51624 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB KMV65242.1 'hypothetical protein M970_100820 (CPSF73)' 51624 GB NP_597379 'CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR 100kDa SUBUNIT' 51624 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51624 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36723825 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments of a minimal CPSF73-CPSF100 C-terminal heterodimer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _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 43 _Citation.Page_last 48 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stephane Thore . . . . 51624 1 2 Sebastien Fribourg . . . . 51624 1 3 Cameron Mackereth . D. . . 51624 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51624 _Assembly.ID 1 _Assembly.Name CPSF73-CPSF100 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CPSF73 CTD1-CTD2' 1 $entity_1 . . yes native no no . . . 51624 1 2 'CPSF100 CTD1-CTD2' 2 $entity_2 . . yes native no no . . . 51624 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Subunits of the cleavage and polyadenylation specificity factor (CPSF)' 51624 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51624 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GHMLAKDNEAKIFTGVEGEF EGIIIGTEDDIRIYKRDELI ESKYKEMCIYERQRIPYNST AVLLKQVLVDGFEELVEVES GFMVGNVHIVLSGQEVVLEW KSSYTDDVLAISISKMISD ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 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 yes GB KMV65242.1 . CPSF73 . . . . . . . . . . . . . . 51624 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID endonuclease 51624 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 1 449 GLY . 51624 1 2 450 HIS . 51624 1 3 451 MET . 51624 1 4 452 LEU . 51624 1 5 453 ALA . 51624 1 6 454 LYS . 51624 1 7 455 ASP . 51624 1 8 456 ASN . 51624 1 9 457 GLU . 51624 1 10 458 ALA . 51624 1 11 459 LYS . 51624 1 12 460 ILE . 51624 1 13 461 PHE . 51624 1 14 462 THR . 51624 1 15 463 GLY . 51624 1 16 464 VAL . 51624 1 17 465 GLU . 51624 1 18 466 GLY . 51624 1 19 467 GLU . 51624 1 20 468 PHE . 51624 1 21 469 GLU . 51624 1 22 470 GLY . 51624 1 23 471 ILE . 51624 1 24 472 ILE . 51624 1 25 473 ILE . 51624 1 26 474 GLY . 51624 1 27 475 THR . 51624 1 28 476 GLU . 51624 1 29 477 ASP . 51624 1 30 478 ASP . 51624 1 31 479 ILE . 51624 1 32 480 ARG . 51624 1 33 481 ILE . 51624 1 34 482 TYR . 51624 1 35 483 LYS . 51624 1 36 484 ARG . 51624 1 37 485 ASP . 51624 1 38 486 GLU . 51624 1 39 487 LEU . 51624 1 40 488 ILE . 51624 1 41 489 GLU . 51624 1 42 490 SER . 51624 1 43 491 LYS . 51624 1 44 492 TYR . 51624 1 45 493 LYS . 51624 1 46 494 GLU . 51624 1 47 495 MET . 51624 1 48 496 CYS . 51624 1 49 497 ILE . 51624 1 50 498 TYR . 51624 1 51 499 GLU . 51624 1 52 500 ARG . 51624 1 53 501 GLN . 51624 1 54 502 ARG . 51624 1 55 503 ILE . 51624 1 56 504 PRO . 51624 1 57 505 TYR . 51624 1 58 506 ASN . 51624 1 59 507 SER . 51624 1 60 508 THR . 51624 1 61 509 ALA . 51624 1 62 510 VAL . 51624 1 63 511 LEU . 51624 1 64 512 LEU . 51624 1 65 513 LYS . 51624 1 66 514 GLN . 51624 1 67 515 VAL . 51624 1 68 516 LEU . 51624 1 69 517 VAL . 51624 1 70 518 ASP . 51624 1 71 519 GLY . 51624 1 72 520 PHE . 51624 1 73 521 GLU . 51624 1 74 522 GLU . 51624 1 75 523 LEU . 51624 1 76 524 VAL . 51624 1 77 525 GLU . 51624 1 78 526 VAL . 51624 1 79 527 GLU . 51624 1 80 528 SER . 51624 1 81 529 GLY . 51624 1 82 530 PHE . 51624 1 83 531 MET . 51624 1 84 532 VAL . 51624 1 85 533 GLY . 51624 1 86 534 ASN . 51624 1 87 535 VAL . 51624 1 88 536 HIS . 51624 1 89 537 ILE . 51624 1 90 538 VAL . 51624 1 91 539 LEU . 51624 1 92 540 SER . 51624 1 93 541 GLY . 51624 1 94 542 GLN . 51624 1 95 543 GLU . 51624 1 96 544 VAL . 51624 1 97 545 VAL . 51624 1 98 546 LEU . 51624 1 99 547 GLU . 51624 1 100 548 TRP . 51624 1 101 549 LYS . 51624 1 102 550 SER . 51624 1 103 551 SER . 51624 1 104 552 TYR . 51624 1 105 553 THR . 51624 1 106 554 ASP . 51624 1 107 555 ASP . 51624 1 108 556 VAL . 51624 1 109 557 LEU . 51624 1 110 558 ALA . 51624 1 111 559 ILE . 51624 1 112 560 SER . 51624 1 113 561 ILE . 51624 1 114 562 SER . 51624 1 115 563 LYS . 51624 1 116 564 MET . 51624 1 117 565 ILE . 51624 1 118 566 SER . 51624 1 119 567 ASP . 51624 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 51624 1 . HIS 2 2 51624 1 . MET 3 3 51624 1 . LEU 4 4 51624 1 . ALA 5 5 51624 1 . LYS 6 6 51624 1 . ASP 7 7 51624 1 . ASN 8 8 51624 1 . GLU 9 9 51624 1 . ALA 10 10 51624 1 . LYS 11 11 51624 1 . ILE 12 12 51624 1 . PHE 13 13 51624 1 . THR 14 14 51624 1 . GLY 15 15 51624 1 . VAL 16 16 51624 1 . GLU 17 17 51624 1 . GLY 18 18 51624 1 . GLU 19 19 51624 1 . PHE 20 20 51624 1 . GLU 21 21 51624 1 . GLY 22 22 51624 1 . ILE 23 23 51624 1 . ILE 24 24 51624 1 . ILE 25 25 51624 1 . GLY 26 26 51624 1 . THR 27 27 51624 1 . GLU 28 28 51624 1 . ASP 29 29 51624 1 . ASP 30 30 51624 1 . ILE 31 31 51624 1 . ARG 32 32 51624 1 . ILE 33 33 51624 1 . TYR 34 34 51624 1 . LYS 35 35 51624 1 . ARG 36 36 51624 1 . ASP 37 37 51624 1 . GLU 38 38 51624 1 . LEU 39 39 51624 1 . ILE 40 40 51624 1 . GLU 41 41 51624 1 . SER 42 42 51624 1 . LYS 43 43 51624 1 . TYR 44 44 51624 1 . LYS 45 45 51624 1 . GLU 46 46 51624 1 . MET 47 47 51624 1 . CYS 48 48 51624 1 . ILE 49 49 51624 1 . TYR 50 50 51624 1 . GLU 51 51 51624 1 . ARG 52 52 51624 1 . GLN 53 53 51624 1 . ARG 54 54 51624 1 . ILE 55 55 51624 1 . PRO 56 56 51624 1 . TYR 57 57 51624 1 . ASN 58 58 51624 1 . SER 59 59 51624 1 . THR 60 60 51624 1 . ALA 61 61 51624 1 . VAL 62 62 51624 1 . LEU 63 63 51624 1 . LEU 64 64 51624 1 . LYS 65 65 51624 1 . GLN 66 66 51624 1 . VAL 67 67 51624 1 . LEU 68 68 51624 1 . VAL 69 69 51624 1 . ASP 70 70 51624 1 . GLY 71 71 51624 1 . PHE 72 72 51624 1 . GLU 73 73 51624 1 . GLU 74 74 51624 1 . LEU 75 75 51624 1 . VAL 76 76 51624 1 . GLU 77 77 51624 1 . VAL 78 78 51624 1 . GLU 79 79 51624 1 . SER 80 80 51624 1 . GLY 81 81 51624 1 . PHE 82 82 51624 1 . MET 83 83 51624 1 . VAL 84 84 51624 1 . GLY 85 85 51624 1 . ASN 86 86 51624 1 . VAL 87 87 51624 1 . HIS 88 88 51624 1 . ILE 89 89 51624 1 . VAL 90 90 51624 1 . LEU 91 91 51624 1 . SER 92 92 51624 1 . GLY 93 93 51624 1 . GLN 94 94 51624 1 . GLU 95 95 51624 1 . VAL 96 96 51624 1 . VAL 97 97 51624 1 . LEU 98 98 51624 1 . GLU 99 99 51624 1 . TRP 100 100 51624 1 . LYS 101 101 51624 1 . SER 102 102 51624 1 . SER 103 103 51624 1 . TYR 104 104 51624 1 . THR 105 105 51624 1 . ASP 106 106 51624 1 . ASP 107 107 51624 1 . VAL 108 108 51624 1 . LEU 109 109 51624 1 . ALA 110 110 51624 1 . ILE 111 111 51624 1 . SER 112 112 51624 1 . ILE 113 113 51624 1 . SER 114 114 51624 1 . LYS 115 115 51624 1 . MET 116 116 51624 1 . ILE 117 117 51624 1 . SER 118 118 51624 1 . ASP 119 119 51624 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51624 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MSDVSMGMVKLDKGFDALNY RAIGTDSVASFRGVRDGDMV RCIGEGPRMVIGHADINEMR RMIVEGSMRVEQEENGLLVE DCVWIRVSGDGVTIDGRDSG VFYAVRDVVYRSSAFI ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 yes GB NP_597379.1 . CPSF100 . . . . . . . . . . . . . . 51624 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'inactive endonuclease' 51624 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 524 MET . 51624 2 2 525 SER . 51624 2 3 526 ASP . 51624 2 4 527 VAL . 51624 2 5 528 SER . 51624 2 6 529 MET . 51624 2 7 530 GLY . 51624 2 8 531 MET . 51624 2 9 532 VAL . 51624 2 10 533 LYS . 51624 2 11 534 LEU . 51624 2 12 535 ASP . 51624 2 13 536 LYS . 51624 2 14 537 GLY . 51624 2 15 538 PHE . 51624 2 16 539 ASP . 51624 2 17 540 ALA . 51624 2 18 541 LEU . 51624 2 19 542 ASN . 51624 2 20 543 TYR . 51624 2 21 544 ARG . 51624 2 22 545 ALA . 51624 2 23 546 ILE . 51624 2 24 547 GLY . 51624 2 25 548 THR . 51624 2 26 549 ASP . 51624 2 27 550 SER . 51624 2 28 551 VAL . 51624 2 29 552 ALA . 51624 2 30 553 SER . 51624 2 31 554 PHE . 51624 2 32 555 ARG . 51624 2 33 556 GLY . 51624 2 34 557 VAL . 51624 2 35 558 ARG . 51624 2 36 559 ASP . 51624 2 37 560 GLY . 51624 2 38 561 ASP . 51624 2 39 562 MET . 51624 2 40 563 VAL . 51624 2 41 564 ARG . 51624 2 42 565 CYS . 51624 2 43 566 ILE . 51624 2 44 567 GLY . 51624 2 45 568 GLU . 51624 2 46 569 GLY . 51624 2 47 570 PRO . 51624 2 48 571 ARG . 51624 2 49 572 MET . 51624 2 50 573 VAL . 51624 2 51 574 ILE . 51624 2 52 575 GLY . 51624 2 53 576 HIS . 51624 2 54 577 ALA . 51624 2 55 578 ASP . 51624 2 56 579 ILE . 51624 2 57 580 ASN . 51624 2 58 581 GLU . 51624 2 59 582 MET . 51624 2 60 583 ARG . 51624 2 61 584 ARG . 51624 2 62 585 MET . 51624 2 63 586 ILE . 51624 2 64 587 VAL . 51624 2 65 588 GLU . 51624 2 66 589 GLY . 51624 2 67 590 SER . 51624 2 68 591 MET . 51624 2 69 592 ARG . 51624 2 70 593 VAL . 51624 2 71 594 GLU . 51624 2 72 595 GLN . 51624 2 73 596 GLU . 51624 2 74 597 GLU . 51624 2 75 598 ASN . 51624 2 76 599 GLY . 51624 2 77 600 LEU . 51624 2 78 601 LEU . 51624 2 79 602 VAL . 51624 2 80 603 GLU . 51624 2 81 604 ASP . 51624 2 82 605 CYS . 51624 2 83 606 VAL . 51624 2 84 607 TRP . 51624 2 85 608 ILE . 51624 2 86 609 ARG . 51624 2 87 610 VAL . 51624 2 88 611 SER . 51624 2 89 612 GLY . 51624 2 90 613 ASP . 51624 2 91 614 GLY . 51624 2 92 615 VAL . 51624 2 93 616 THR . 51624 2 94 617 ILE . 51624 2 95 618 ASP . 51624 2 96 619 GLY . 51624 2 97 620 ARG . 51624 2 98 621 ASP . 51624 2 99 622 SER . 51624 2 100 623 GLY . 51624 2 101 624 VAL . 51624 2 102 625 PHE . 51624 2 103 626 TYR . 51624 2 104 627 ALA . 51624 2 105 628 VAL . 51624 2 106 629 ARG . 51624 2 107 630 ASP . 51624 2 108 631 VAL . 51624 2 109 632 VAL . 51624 2 110 633 TYR . 51624 2 111 634 ARG . 51624 2 112 635 SER . 51624 2 113 636 SER . 51624 2 114 637 ALA . 51624 2 115 638 PHE . 51624 2 116 639 ILE . 51624 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51624 2 . SER 2 2 51624 2 . ASP 3 3 51624 2 . VAL 4 4 51624 2 . SER 5 5 51624 2 . MET 6 6 51624 2 . GLY 7 7 51624 2 . MET 8 8 51624 2 . VAL 9 9 51624 2 . LYS 10 10 51624 2 . LEU 11 11 51624 2 . ASP 12 12 51624 2 . LYS 13 13 51624 2 . GLY 14 14 51624 2 . PHE 15 15 51624 2 . ASP 16 16 51624 2 . ALA 17 17 51624 2 . LEU 18 18 51624 2 . ASN 19 19 51624 2 . TYR 20 20 51624 2 . ARG 21 21 51624 2 . ALA 22 22 51624 2 . ILE 23 23 51624 2 . GLY 24 24 51624 2 . THR 25 25 51624 2 . ASP 26 26 51624 2 . SER 27 27 51624 2 . VAL 28 28 51624 2 . ALA 29 29 51624 2 . SER 30 30 51624 2 . PHE 31 31 51624 2 . ARG 32 32 51624 2 . GLY 33 33 51624 2 . VAL 34 34 51624 2 . ARG 35 35 51624 2 . ASP 36 36 51624 2 . GLY 37 37 51624 2 . ASP 38 38 51624 2 . MET 39 39 51624 2 . VAL 40 40 51624 2 . ARG 41 41 51624 2 . CYS 42 42 51624 2 . ILE 43 43 51624 2 . GLY 44 44 51624 2 . GLU 45 45 51624 2 . GLY 46 46 51624 2 . PRO 47 47 51624 2 . ARG 48 48 51624 2 . MET 49 49 51624 2 . VAL 50 50 51624 2 . ILE 51 51 51624 2 . GLY 52 52 51624 2 . HIS 53 53 51624 2 . ALA 54 54 51624 2 . ASP 55 55 51624 2 . ILE 56 56 51624 2 . ASN 57 57 51624 2 . GLU 58 58 51624 2 . MET 59 59 51624 2 . ARG 60 60 51624 2 . ARG 61 61 51624 2 . MET 62 62 51624 2 . ILE 63 63 51624 2 . VAL 64 64 51624 2 . GLU 65 65 51624 2 . GLY 66 66 51624 2 . SER 67 67 51624 2 . MET 68 68 51624 2 . ARG 69 69 51624 2 . VAL 70 70 51624 2 . GLU 71 71 51624 2 . GLN 72 72 51624 2 . GLU 73 73 51624 2 . GLU 74 74 51624 2 . ASN 75 75 51624 2 . GLY 76 76 51624 2 . LEU 77 77 51624 2 . LEU 78 78 51624 2 . VAL 79 79 51624 2 . GLU 80 80 51624 2 . ASP 81 81 51624 2 . CYS 82 82 51624 2 . VAL 83 83 51624 2 . TRP 84 84 51624 2 . ILE 85 85 51624 2 . ARG 86 86 51624 2 . VAL 87 87 51624 2 . SER 88 88 51624 2 . GLY 89 89 51624 2 . ASP 90 90 51624 2 . GLY 91 91 51624 2 . VAL 92 92 51624 2 . THR 93 93 51624 2 . ILE 94 94 51624 2 . ASP 95 95 51624 2 . GLY 96 96 51624 2 . ARG 97 97 51624 2 . ASP 98 98 51624 2 . SER 99 99 51624 2 . GLY 100 100 51624 2 . VAL 101 101 51624 2 . PHE 102 102 51624 2 . TYR 103 103 51624 2 . ALA 104 104 51624 2 . VAL 105 105 51624 2 . ARG 106 106 51624 2 . ASP 107 107 51624 2 . VAL 108 108 51624 2 . VAL 109 109 51624 2 . TYR 110 110 51624 2 . ARG 111 111 51624 2 . SER 112 112 51624 2 . SER 113 113 51624 2 . ALA 114 114 51624 2 . PHE 115 115 51624 2 . ILE 116 116 51624 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51624 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 6035 organism . 'Encephalitozoon cuniculi' 'Encephalitozoon cuniculi' . . Eukaryota Fungi Encephalitozoon cuniculi . . . . . . . . . . . CPSF73 . 51624 1 2 2 $entity_2 . 6035 organism . 'Encephalitozoon cuniculi' 'Encephalitozoon cuniculi' . . Eukaryota Fungi Encephalitozoon cuniculi . . . . . . . . . . . CPSF100 . 51624 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51624 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLysY . plasmid . . pMCN . . 'Co-expressed and co-purified with CPSF100' 51624 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLysY . plasmid . . pCDF-MCN . . 'Co-expressed and co-purified with CPSF73' 51624 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51624 _Sample.ID 1 _Sample.Name '13C-15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 230 . . uM . . . . 51624 1 2 CPSF100 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 230 . . uM . . . . 51624 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51624 _Sample.ID 2 _Sample.Name 13C,15N-Ile _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 '[U-15N; 99% 13C-Ile]' . . 1 $entity_1 . . 625 . . uM . . . . 51624 2 2 CPSF100 '[U-15N; 99% 13C-Ile]' . . 2 $entity_2 . . 625 . . uM . . . . 51624 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51624 _Sample.ID 3 _Sample.Name 13C,15N-Val _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 '[U-15N; 99% 13C-Val]' . . 1 $entity_1 . . 150 . . uM . . . . 51624 3 2 CPSF100 '[U-15N; 99% 13C-Val]' . . 2 $entity_2 . . 150 . . uM . . . . 51624 3 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 3 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 51624 _Sample.ID 4 _Sample.Name 13C,15N-Leu _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 '[U-15N; 99% 13C-Leu]' . . 1 $entity_1 . . 280 . . uM . . . . 51624 4 2 CPSF100 '[U-15N; 99% 13C-Leu]' . . 2 $entity_2 . . 280 . . uM . . . . 51624 4 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 4 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 4 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 51624 _Sample.ID 5 _Sample.Name 10%-13C _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 880 . . uM . . . . 51624 5 2 CPSF100 '[U-10% 13C; U-100% 15N]' . . 2 $entity_2 . . 880 . . uM . . . . 51624 5 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 5 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 5 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 51624 _Sample.ID 6 _Sample.Name 'unlabeled D2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 'natural abundance' . . 1 $entity_1 . . 458 . . uM . . . . 51624 6 2 CPSF100 'natural abundance' . . 2 $entity_2 . . 458 . . uM . . . . 51624 6 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 6 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 6 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 51624 _Sample.ID 7 _Sample.Name 2H-Phe _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 '[95% 2H]-Phe' . . 1 $entity_1 . . 150 . . uM . . . . 51624 7 2 CPSF100 '[95% 2H]-Phe' . . 2 $entity_2 . . 150 . . uM . . . . 51624 7 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 7 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 7 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 51624 _Sample.ID 8 _Sample.Name 2H-Tyr,Trp _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPSF73 '[95% 2H]-Tyr,Trp' . . 1 $entity_1 . . 85 . . uM . . . . 51624 8 2 CPSF100 '[95% 2H]-Tyr,Trp' . . 2 $entity_2 . . 85 . . uM . . . . 51624 8 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51624 8 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51624 8 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51624 8 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51624 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample condition 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 'ionic strength' 170 . mM 51624 1 pH 7.5 . pH 51624 1 pressure 1 . atm 51624 1 temperature 298 . K 51624 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51624 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51624 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51624 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 8.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51624 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51624 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51624 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51624 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 51624 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51624 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51624 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51624 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51624 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51624 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 7 '3D HNHA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 8 '3D HA(CACO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 9 '3D N(COCA)NNH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 10 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 11 '3D TROSY-HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 12 '3D TROSY-HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 13 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . '11 ms mixing time' 51624 1 14 '3D H(C)CH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . '11 ms mixing time' 51624 1 15 '3D (H)C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 16 '2D 1H-13C ct-HSQC methyl' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 17 '2D 1H-13C ct-HSQC methyl' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 18 '2D 1H-13C ct-HSQC methyl' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 19 '3D TROSY-HNCO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 20 '3D TROSY-HNCO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 21 '3D TROSY-HNCO' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 22 '3D TROSY-HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 23 '3D TROSY-HNCA' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 24 '3D TROSY-HNCA' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 25 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '16 ms mixing time' 51624 1 26 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '16 ms mixing time' 51624 1 27 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '16 ms mixing time' 51624 1 28 '2D 1H-13C ct-HSQC methyl' no no no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 29 '3D 1H-15N HSQC-TOCSY' no no no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '60 ms mixing time' 51624 1 30 '2D 1H-1H NOESY' no no no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '120 ms mixing time' 51624 1 31 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '60 ms mixing time' 51624 1 32 '2D 1H-1H DQF-COSY' no no no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 33 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '60 ms mixing time' 51624 1 34 '2D 1H-1H DQF-COSY' no no no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 35 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . '60 ms mixing time' 51624 1 36 '2D 1H-1H DQF-COSY' no no no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51624 1 37 '3D H(C)CH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '16 ms mixing time' 51624 1 38 '3D H(C)CH-TOCSY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '16 ms mixing time' 51624 1 39 '2D HN(CA)' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 40 '2D HN(CA)' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 41 '2D HN(CO)' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 42 '2D HN(CO)' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51624 1 43 '3D HSQC-NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . '120 ms mixing time' 51624 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51624 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 51624 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51624 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51624 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51624 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 '2D 1H-15N TROSY' . . . 51624 1 2 '3D HNCA' . . . 51624 1 3 '3D CBCA(CO)NH' . . . 51624 1 4 '3D HN(CO)CA' . . . 51624 1 5 '3D HNCO' . . . 51624 1 6 '3D HN(CA)CO' . . . 51624 1 7 '3D HNHA' . . . 51624 1 8 '3D HA(CACO)NH' . . . 51624 1 9 '3D N(COCA)NNH' . . . 51624 1 10 '3D H(CCO)NH' . . . 51624 1 11 '3D TROSY-HNCO' . . . 51624 1 12 '3D TROSY-HNCA' . . . 51624 1 13 '3D (H)CCH-TOCSY' . . . 51624 1 14 '3D H(C)CH-TOCSY' . . . 51624 1 15 '3D (H)C(CO)NH' . . . 51624 1 16 '2D 1H-13C ct-HSQC methyl' . . . 51624 1 17 '2D 1H-13C ct-HSQC methyl' . . . 51624 1 18 '2D 1H-13C ct-HSQC methyl' . . . 51624 1 19 '3D TROSY-HNCO' . . . 51624 1 20 '3D TROSY-HNCO' . . . 51624 1 21 '3D TROSY-HNCO' . . . 51624 1 22 '3D TROSY-HNCA' . . . 51624 1 23 '3D TROSY-HNCA' . . . 51624 1 24 '3D TROSY-HNCA' . . . 51624 1 25 '3D (H)CCH-TOCSY' . . . 51624 1 26 '3D (H)CCH-TOCSY' . . . 51624 1 27 '3D (H)CCH-TOCSY' . . . 51624 1 28 '2D 1H-13C ct-HSQC methyl' . . . 51624 1 29 '3D 1H-15N HSQC-TOCSY' . . . 51624 1 30 '2D 1H-1H NOESY' . . . 51624 1 31 '2D 1H-1H TOCSY' . . . 51624 1 32 '2D 1H-1H DQF-COSY' . . . 51624 1 33 '2D 1H-1H TOCSY' . . . 51624 1 34 '2D 1H-1H DQF-COSY' . . . 51624 1 35 '2D 1H-1H TOCSY' . . . 51624 1 36 '2D 1H-1H DQF-COSY' . . . 51624 1 37 '3D H(C)CH-TOCSY' . . . 51624 1 38 '3D H(C)CH-TOCSY' . . . 51624 1 39 '2D HN(CA)' . . . 51624 1 40 '2D HN(CA)' . . . 51624 1 41 '2D HN(CO)' . . . 51624 1 42 '2D HN(CO)' . . . 51624 1 43 '3D HSQC-NOESY' . . . 51624 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51624 1 2 $software_2 . . 51624 1 3 $software_3 . . 51624 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 LEU HA H 1 4.269 0.022 . 1 . . . . . 452 L HA . 51624 1 2 . 1 . 1 4 4 LEU HB2 H 1 1.477 0.025 . 1 . . . . . 452 L QB . 51624 1 3 . 1 . 1 4 4 LEU HB3 H 1 1.477 0.025 . 1 . . . . . 452 L QB . 51624 1 4 . 1 . 1 4 4 LEU HD11 H 1 0.748 0.016 . 1 . . . . . 452 L MD1 . 51624 1 5 . 1 . 1 4 4 LEU HD12 H 1 0.748 0.016 . 1 . . . . . 452 L MD1 . 51624 1 6 . 1 . 1 4 4 LEU HD13 H 1 0.748 0.016 . 1 . . . . . 452 L MD1 . 51624 1 7 . 1 . 1 4 4 LEU HD21 H 1 0.716 0.019 . 1 . . . . . 452 L MD2 . 51624 1 8 . 1 . 1 4 4 LEU HD22 H 1 0.716 0.019 . 1 . . . . . 452 L MD2 . 51624 1 9 . 1 . 1 4 4 LEU HD23 H 1 0.716 0.019 . 1 . . . . . 452 L MD2 . 51624 1 10 . 1 . 1 4 4 LEU C C 13 176.809 0.028 . 1 . . . . . 452 L C . 51624 1 11 . 1 . 1 4 4 LEU CA C 13 55.095 0.129 . 1 . . . . . 452 L CA . 51624 1 12 . 1 . 1 4 4 LEU CB C 13 41.893 0.229 . 1 . . . . . 452 L CB . 51624 1 13 . 1 . 1 4 4 LEU CG C 13 26.742 0.165 . 1 . . . . . 452 L CG . 51624 1 14 . 1 . 1 4 4 LEU CD1 C 13 24.651 0.46 . 1 . . . . . 452 L CD1 . 51624 1 15 . 1 . 1 4 4 LEU CD2 C 13 23.515 0.363 . 1 . . . . . 452 L CD2 . 51624 1 16 . 1 . 1 5 5 ALA H H 1 8.199 0.007 . 1 . . . . . 453 A H . 51624 1 17 . 1 . 1 5 5 ALA HA H 1 4.261 0.017 . 1 . . . . . 453 A HA . 51624 1 18 . 1 . 1 5 5 ALA HB1 H 1 1.326 0.014 . 1 . . . . . 453 A MB . 51624 1 19 . 1 . 1 5 5 ALA HB2 H 1 1.326 0.014 . 1 . . . . . 453 A MB . 51624 1 20 . 1 . 1 5 5 ALA HB3 H 1 1.326 0.014 . 1 . . . . . 453 A MB . 51624 1 21 . 1 . 1 5 5 ALA C C 13 177.429 0.033 . 1 . . . . . 453 A C . 51624 1 22 . 1 . 1 5 5 ALA CA C 13 52.304 0.18 . 1 . . . . . 453 A CA . 51624 1 23 . 1 . 1 5 5 ALA CB C 13 19.277 0.241 . 1 . . . . . 453 A CB . 51624 1 24 . 1 . 1 5 5 ALA N N 15 123.919 0.142 . 1 . . . . . 453 A N . 51624 1 25 . 1 . 1 6 6 LYS H H 1 8.222 0.005 . 1 . . . . . 454 K H . 51624 1 26 . 1 . 1 6 6 LYS HA H 1 4.219 0.017 . 1 . . . . . 454 K HA . 51624 1 27 . 1 . 1 6 6 LYS HB2 H 1 2.675 0.02 . 1 . . . . . 454 K QB . 51624 1 28 . 1 . 1 6 6 LYS HB3 H 1 2.675 0.02 . 1 . . . . . 454 K QB . 51624 1 29 . 1 . 1 6 6 LYS C C 13 176.243 0.054 . 1 . . . . . 454 K C . 51624 1 30 . 1 . 1 6 6 LYS CA C 13 56.674 0.087 . 1 . . . . . 454 K CA . 51624 1 31 . 1 . 1 6 6 LYS CB C 13 32.491 0.297 . 1 . . . . . 454 K CB . 51624 1 32 . 1 . 1 6 6 LYS CG C 13 24.375 0.2 . 1 . . . . . 454 K CG . 51624 1 33 . 1 . 1 6 6 LYS CD C 13 29.07 0.2 . 1 . . . . . 454 K CD . 51624 1 34 . 1 . 1 6 6 LYS CE C 13 42.173 0.2 . 1 . . . . . 454 K CE . 51624 1 35 . 1 . 1 6 6 LYS N N 15 120.163 0.181 . 1 . . . . . 454 K N . 51624 1 36 . 1 . 1 7 7 ASP H H 1 8.29 0.007 . 1 . . . . . 455 D H . 51624 1 37 . 1 . 1 7 7 ASP HA H 1 4.561 0.021 . 1 . . . . . 455 D HA . 51624 1 38 . 1 . 1 7 7 ASP HB2 H 1 2.656 0.008 . 1 . . . . . 455 D QB . 51624 1 39 . 1 . 1 7 7 ASP HB3 H 1 2.656 0.008 . 1 . . . . . 455 D QB . 51624 1 40 . 1 . 1 7 7 ASP C C 13 175.55 0.029 . 1 . . . . . 455 D C . 51624 1 41 . 1 . 1 7 7 ASP CA C 13 54.774 0.123 . 1 . . . . . 455 D CA . 51624 1 42 . 1 . 1 7 7 ASP CB C 13 41.063 0.078 . 1 . . . . . 455 D CB . 51624 1 43 . 1 . 1 7 7 ASP N N 15 119.875 0.16 . 1 . . . . . 455 D N . 51624 1 44 . 1 . 1 8 8 ASN H H 1 8.267 0.007 . 1 . . . . . 456 N H . 51624 1 45 . 1 . 1 8 8 ASN HA H 1 4.643 0.024 . 1 . . . . . 456 N HA . 51624 1 46 . 1 . 1 8 8 ASN HB2 H 1 2.775 0.01 . 1 . . . . . 456 N QB . 51624 1 47 . 1 . 1 8 8 ASN HB3 H 1 2.775 0.01 . 1 . . . . . 456 N QB . 51624 1 48 . 1 . 1 8 8 ASN HD21 H 1 7.49 0.009 . 2 . . . . . 456 N HD21 . 51624 1 49 . 1 . 1 8 8 ASN HD22 H 1 6.896 0.007 . 2 . . . . . 456 N HD22 . 51624 1 50 . 1 . 1 8 8 ASN C C 13 173.998 0.017 . 1 . . . . . 456 N C . 51624 1 51 . 1 . 1 8 8 ASN CA C 13 53.219 0.215 . 1 . . . . . 456 N CA . 51624 1 52 . 1 . 1 8 8 ASN CB C 13 39.352 0.176 . 1 . . . . . 456 N CB . 51624 1 53 . 1 . 1 8 8 ASN N N 15 117.697 0.13 . 1 . . . . . 456 N N . 51624 1 54 . 1 . 1 8 8 ASN ND2 N 15 112.639 0.077 . 1 . . . . . 456 N ND2 . 51624 1 55 . 1 . 1 9 9 GLU H H 1 7.9 0.006 . 1 . . . . . 457 E H . 51624 1 56 . 1 . 1 9 9 GLU HA H 1 4.876 0.029 . 1 . . . . . 457 E HA . 51624 1 57 . 1 . 1 9 9 GLU HB2 H 1 1.846 0.022 . 1 . . . . . 457 E QB . 51624 1 58 . 1 . 1 9 9 GLU HB3 H 1 1.846 0.022 . 1 . . . . . 457 E QB . 51624 1 59 . 1 . 1 9 9 GLU HG2 H 1 2.101 0.018 . 2 . . . . . 457 E HG2 . 51624 1 60 . 1 . 1 9 9 GLU HG3 H 1 2.54 0.019 . 2 . . . . . 457 E HG3 . 51624 1 61 . 1 . 1 9 9 GLU C C 13 174.633 0.01 . 1 . . . . . 457 E C . 51624 1 62 . 1 . 1 9 9 GLU CA C 13 55.46 0.126 . 1 . . . . . 457 E CA . 51624 1 63 . 1 . 1 9 9 GLU CB C 13 32.46 0.218 . 1 . . . . . 457 E CB . 51624 1 64 . 1 . 1 9 9 GLU CG C 13 36.596 0.2 . 1 . . . . . 457 E CG . 51624 1 65 . 1 . 1 9 9 GLU N N 15 118.955 0.148 . 1 . . . . . 457 E N . 51624 1 66 . 1 . 1 10 10 ALA H H 1 8.987 0.011 . 1 . . . . . 458 A H . 51624 1 67 . 1 . 1 10 10 ALA HA H 1 4.764 0.011 . 1 . . . . . 458 A HA . 51624 1 68 . 1 . 1 10 10 ALA HB1 H 1 0.926 0.008 . 1 . . . . . 458 A MB . 51624 1 69 . 1 . 1 10 10 ALA HB2 H 1 0.926 0.008 . 1 . . . . . 458 A MB . 51624 1 70 . 1 . 1 10 10 ALA HB3 H 1 0.926 0.008 . 1 . . . . . 458 A MB . 51624 1 71 . 1 . 1 10 10 ALA C C 13 175.642 0.012 . 1 . . . . . 458 A C . 51624 1 72 . 1 . 1 10 10 ALA CA C 13 50.294 0.088 . 1 . . . . . 458 A CA . 51624 1 73 . 1 . 1 10 10 ALA CB C 13 23.173 0.163 . 1 . . . . . 458 A CB . 51624 1 74 . 1 . 1 10 10 ALA N N 15 122.981 0.077 . 1 . . . . . 458 A N . 51624 1 75 . 1 . 1 11 11 LYS H H 1 8.586 0.006 . 1 . . . . . 459 K H . 51624 1 76 . 1 . 1 11 11 LYS HA H 1 4.879 0.02 . 1 . . . . . 459 K HA . 51624 1 77 . 1 . 1 11 11 LYS HB2 H 1 1.904 0.005 . 2 . . . . . 459 K HB2 . 51624 1 78 . 1 . 1 11 11 LYS HB3 H 1 1.722 0.007 . 2 . . . . . 459 K HB3 . 51624 1 79 . 1 . 1 11 11 LYS HG2 H 1 1.606 0.019 . 1 . . . . . 459 K QG . 51624 1 80 . 1 . 1 11 11 LYS HG3 H 1 1.606 0.019 . 1 . . . . . 459 K QG . 51624 1 81 . 1 . 1 11 11 LYS HE2 H 1 2.982 0.02 . 1 . . . . . 459 K QE . 51624 1 82 . 1 . 1 11 11 LYS HE3 H 1 2.982 0.02 . 1 . . . . . 459 K QE . 51624 1 83 . 1 . 1 11 11 LYS C C 13 175.044 0.01 . 1 . . . . . 459 K C . 51624 1 84 . 1 . 1 11 11 LYS CA C 13 55.808 0.211 . 1 . . . . . 459 K CA . 51624 1 85 . 1 . 1 11 11 LYS CB C 13 34.947 0.192 . 1 . . . . . 459 K CB . 51624 1 86 . 1 . 1 11 11 LYS N N 15 120.68 0.095 . 1 . . . . . 459 K N . 51624 1 87 . 1 . 1 12 12 ILE H H 1 8.485 0.008 . 1 . . . . . 460 I H . 51624 1 88 . 1 . 1 12 12 ILE HA H 1 5.091 0.003 . 1 . . . . . 460 I HA . 51624 1 89 . 1 . 1 12 12 ILE HB H 1 1.296 0.01 . 1 . . . . . 460 I HB . 51624 1 90 . 1 . 1 12 12 ILE HG12 H 1 1.413 0.02 . 1 . . . . . 460 I HG1# . 51624 1 91 . 1 . 1 12 12 ILE HG13 H 1 1.413 0.02 . 1 . . . . . 460 I HG1# . 51624 1 92 . 1 . 1 12 12 ILE HG21 H 1 0.726 0.007 . 1 . . . . . 460 I MG . 51624 1 93 . 1 . 1 12 12 ILE HG22 H 1 0.726 0.007 . 1 . . . . . 460 I MG . 51624 1 94 . 1 . 1 12 12 ILE HG23 H 1 0.726 0.007 . 1 . . . . . 460 I MG . 51624 1 95 . 1 . 1 12 12 ILE HD11 H 1 0.719 0.008 . 1 . . . . . 460 I MD . 51624 1 96 . 1 . 1 12 12 ILE HD12 H 1 0.719 0.008 . 1 . . . . . 460 I MD . 51624 1 97 . 1 . 1 12 12 ILE HD13 H 1 0.719 0.008 . 1 . . . . . 460 I MD . 51624 1 98 . 1 . 1 12 12 ILE C C 13 173.989 0.066 . 1 . . . . . 460 I C . 51624 1 99 . 1 . 1 12 12 ILE CA C 13 58.827 0.095 . 1 . . . . . 460 I CA . 51624 1 100 . 1 . 1 12 12 ILE CB C 13 42.172 0.139 . 1 . . . . . 460 I CB . 51624 1 101 . 1 . 1 12 12 ILE CG1 C 13 31.009 0.162 . 1 . . . . . 460 I CG1 . 51624 1 102 . 1 . 1 12 12 ILE CG2 C 13 15.188 0.074 . 1 . . . . . 460 I CG2 . 51624 1 103 . 1 . 1 12 12 ILE CD1 C 13 15.238 0.23 . 1 . . . . . 460 I CD1 . 51624 1 104 . 1 . 1 12 12 ILE N N 15 121.355 0.142 . 1 . . . . . 460 I N . 51624 1 105 . 1 . 1 13 13 PHE H H 1 8.188 0.013 . 1 . . . . . 461 F H . 51624 1 106 . 1 . 1 13 13 PHE HA H 1 4.553 0.01 . 1 . . . . . 461 F HA . 51624 1 107 . 1 . 1 13 13 PHE HB2 H 1 3.19 0.02 . 1 . . . . . 461 F QB . 51624 1 108 . 1 . 1 13 13 PHE HB3 H 1 3.19 0.02 . 1 . . . . . 461 F QB . 51624 1 109 . 1 . 1 13 13 PHE HD1 H 1 7.063 0.009 . 1 . . . . . 461 F QD . 51624 1 110 . 1 . 1 13 13 PHE HD2 H 1 7.063 0.009 . 1 . . . . . 461 F QD . 51624 1 111 . 1 . 1 13 13 PHE HE1 H 1 6.915 0.011 . 1 . . . . . 461 F QE . 51624 1 112 . 1 . 1 13 13 PHE HE2 H 1 6.915 0.011 . 1 . . . . . 461 F QE . 51624 1 113 . 1 . 1 13 13 PHE HZ H 1 7.106 0.003 . 1 . . . . . 461 F HZ . 51624 1 114 . 1 . 1 13 13 PHE C C 13 174.786 0 . 1 . . . . . 461 F C . 51624 1 115 . 1 . 1 13 13 PHE CA C 13 58.024 0.032 . 1 . . . . . 461 F CA . 51624 1 116 . 1 . 1 13 13 PHE CB C 13 38.961 0.004 . 1 . . . . . 461 F CB . 51624 1 117 . 1 . 1 13 13 PHE N N 15 124.585 0.15 . 1 . . . . . 461 F N . 51624 1 118 . 1 . 1 14 14 THR H H 1 7.065 0.004 . 1 . . . . . 462 T H . 51624 1 119 . 1 . 1 14 14 THR HA H 1 4.768 0.001 . 1 . . . . . 462 T HA . 51624 1 120 . 1 . 1 14 14 THR HB H 1 4.745 0.02 . 1 . . . . . 462 T HB . 51624 1 121 . 1 . 1 14 14 THR HG21 H 1 1.305 0.012 . 1 . . . . . 462 T MG . 51624 1 122 . 1 . 1 14 14 THR HG22 H 1 1.305 0.012 . 1 . . . . . 462 T MG . 51624 1 123 . 1 . 1 14 14 THR HG23 H 1 1.305 0.012 . 1 . . . . . 462 T MG . 51624 1 124 . 1 . 1 14 14 THR CA C 13 59.901 0.035 . 1 . . . . . 462 T CA . 51624 1 125 . 1 . 1 14 14 THR CB C 13 71.333 0.2 . 1 . . . . . 462 T CB . 51624 1 126 . 1 . 1 14 14 THR CG2 C 13 20.108 0.327 . 1 . . . . . 462 T CG2 . 51624 1 127 . 1 . 1 14 14 THR N N 15 115.599 0.034 . 1 . . . . . 462 T N . 51624 1 128 . 1 . 1 15 15 GLY H H 1 9.184 0.014 . 1 . . . . . 463 G H . 51624 1 129 . 1 . 1 15 15 GLY HA2 H 1 3.572 0.013 . 2 . . . . . 463 G HA2 . 51624 1 130 . 1 . 1 15 15 GLY HA3 H 1 4.303 0.016 . 2 . . . . . 463 G HA3 . 51624 1 131 . 1 . 1 15 15 GLY C C 13 174.36 0.2 . 1 . . . . . 463 G C . 51624 1 132 . 1 . 1 15 15 GLY CA C 13 44.815 0.18 . 1 . . . . . 463 G CA . 51624 1 133 . 1 . 1 16 16 VAL H H 1 7.554 0.008 . 1 . . . . . 464 V H . 51624 1 134 . 1 . 1 16 16 VAL HA H 1 3.829 0.008 . 1 . . . . . 464 V HA . 51624 1 135 . 1 . 1 16 16 VAL HB H 1 1.905 0.009 . 1 . . . . . 464 V HB . 51624 1 136 . 1 . 1 16 16 VAL HG11 H 1 0.19 0.013 . 1 . . . . . 464 V MG1 . 51624 1 137 . 1 . 1 16 16 VAL HG12 H 1 0.19 0.013 . 1 . . . . . 464 V MG1 . 51624 1 138 . 1 . 1 16 16 VAL HG13 H 1 0.19 0.013 . 1 . . . . . 464 V MG1 . 51624 1 139 . 1 . 1 16 16 VAL HG21 H 1 0.804 0.011 . 1 . . . . . 464 V MG2 . 51624 1 140 . 1 . 1 16 16 VAL HG22 H 1 0.804 0.011 . 1 . . . . . 464 V MG2 . 51624 1 141 . 1 . 1 16 16 VAL HG23 H 1 0.804 0.011 . 1 . . . . . 464 V MG2 . 51624 1 142 . 1 . 1 16 16 VAL C C 13 172.804 0.024 . 1 . . . . . 464 V C . 51624 1 143 . 1 . 1 16 16 VAL CA C 13 62.409 0.244 . 1 . . . . . 464 V CA . 51624 1 144 . 1 . 1 16 16 VAL CB C 13 31.714 0.265 . 1 . . . . . 464 V CB . 51624 1 145 . 1 . 1 16 16 VAL CG1 C 13 19.879 0.356 . 1 . . . . . 464 V CG1 . 51624 1 146 . 1 . 1 16 16 VAL CG2 C 13 21.388 0.12 . 1 . . . . . 464 V CG2 . 51624 1 147 . 1 . 1 16 16 VAL N N 15 121.721 0.157 . 1 . . . . . 464 V N . 51624 1 148 . 1 . 1 17 17 GLU H H 1 8.08 0.007 . 1 . . . . . 465 E H . 51624 1 149 . 1 . 1 17 17 GLU HA H 1 4.564 0.014 . 1 . . . . . 465 E HA . 51624 1 150 . 1 . 1 17 17 GLU HB2 H 1 1.902 0.003 . 2 . . . . . 465 E HB2 . 51624 1 151 . 1 . 1 17 17 GLU HB3 H 1 2.079 0.001 . 2 . . . . . 465 E HB3 . 51624 1 152 . 1 . 1 17 17 GLU HG2 H 1 2.183 0.008 . 2 . . . . . 465 E HG2 . 51624 1 153 . 1 . 1 17 17 GLU HG3 H 1 2.317 0.003 . 2 . . . . . 465 E HG3 . 51624 1 154 . 1 . 1 17 17 GLU C C 13 176.343 0.009 . 1 . . . . . 465 E C . 51624 1 155 . 1 . 1 17 17 GLU CA C 13 55.217 0.066 . 1 . . . . . 465 E CA . 51624 1 156 . 1 . 1 17 17 GLU CB C 13 31.821 0.306 . 1 . . . . . 465 E CB . 51624 1 157 . 1 . 1 17 17 GLU N N 15 123.752 0.11 . 1 . . . . . 465 E N . 51624 1 158 . 1 . 1 18 18 GLY H H 1 8.856 0.008 . 1 . . . . . 466 G H . 51624 1 159 . 1 . 1 18 18 GLY HA2 H 1 3.799 0.004 . 2 . . . . . 466 G HA2 . 51624 1 160 . 1 . 1 18 18 GLY HA3 H 1 4.425 0.018 . 2 . . . . . 466 G HA3 . 51624 1 161 . 1 . 1 18 18 GLY C C 13 173.933 0.021 . 1 . . . . . 466 G C . 51624 1 162 . 1 . 1 18 18 GLY CA C 13 44.65 0.016 . 1 . . . . . 466 G CA . 51624 1 163 . 1 . 1 18 18 GLY N N 15 111.032 0.066 . 1 . . . . . 466 G N . 51624 1 164 . 1 . 1 19 19 GLU H H 1 8.703 0.006 . 1 . . . . . 467 E H . 51624 1 165 . 1 . 1 19 19 GLU HA H 1 5.198 0.011 . 1 . . . . . 467 E HA . 51624 1 166 . 1 . 1 19 19 GLU HB2 H 1 1.981 0.016 . 1 . . . . . 467 E QB . 51624 1 167 . 1 . 1 19 19 GLU HB3 H 1 1.981 0.016 . 1 . . . . . 467 E QB . 51624 1 168 . 1 . 1 19 19 GLU HG2 H 1 2.115 0.014 . 2 . . . . . 467 E HG2 . 51624 1 169 . 1 . 1 19 19 GLU HG3 H 1 2.25 0.008 . 2 . . . . . 467 E HG3 . 51624 1 170 . 1 . 1 19 19 GLU C C 13 177.057 0.024 . 1 . . . . . 467 E C . 51624 1 171 . 1 . 1 19 19 GLU CA C 13 56.524 0.189 . 1 . . . . . 467 E CA . 51624 1 172 . 1 . 1 19 19 GLU CB C 13 30.285 0.269 . 1 . . . . . 467 E CB . 51624 1 173 . 1 . 1 19 19 GLU CG C 13 36.863 0.2 . 1 . . . . . 467 E CG . 51624 1 174 . 1 . 1 19 19 GLU N N 15 122.591 0.13 . 1 . . . . . 467 E N . 51624 1 175 . 1 . 1 20 20 PHE H H 1 9.245 0.007 . 1 . . . . . 468 F H . 51624 1 176 . 1 . 1 20 20 PHE HA H 1 4.933 0.01 . 1 . . . . . 468 F HA . 51624 1 177 . 1 . 1 20 20 PHE HB2 H 1 3.162 0.013 . 2 . . . . . 468 F HB2 . 51624 1 178 . 1 . 1 20 20 PHE HB3 H 1 2.833 0.01 . 2 . . . . . 468 F HB3 . 51624 1 179 . 1 . 1 20 20 PHE HD1 H 1 7.246 0.016 . 1 . . . . . 468 F QD . 51624 1 180 . 1 . 1 20 20 PHE HD2 H 1 7.246 0.016 . 1 . . . . . 468 F QD . 51624 1 181 . 1 . 1 20 20 PHE HE1 H 1 6.945 0.007 . 1 . . . . . 468 F QE . 51624 1 182 . 1 . 1 20 20 PHE HE2 H 1 6.945 0.007 . 1 . . . . . 468 F QE . 51624 1 183 . 1 . 1 20 20 PHE HZ H 1 6.972 0.006 . 1 . . . . . 468 F HZ . 51624 1 184 . 1 . 1 20 20 PHE C C 13 172.327 0.022 . 1 . . . . . 468 F C . 51624 1 185 . 1 . 1 20 20 PHE CA C 13 56.006 0.097 . 1 . . . . . 468 F CA . 51624 1 186 . 1 . 1 20 20 PHE CB C 13 41.234 0.259 . 1 . . . . . 468 F CB . 51624 1 187 . 1 . 1 20 20 PHE N N 15 121.016 0.135 . 1 . . . . . 468 F N . 51624 1 188 . 1 . 1 21 21 GLU H H 1 8.699 0.009 . 1 . . . . . 469 E H . 51624 1 189 . 1 . 1 21 21 GLU HA H 1 4.39 0.02 . 1 . . . . . 469 E HA . 51624 1 190 . 1 . 1 21 21 GLU HB2 H 1 1.963 0.004 . 2 . . . . . 469 E HB2 . 51624 1 191 . 1 . 1 21 21 GLU HB3 H 1 1.762 0.002 . 2 . . . . . 469 E HB3 . 51624 1 192 . 1 . 1 21 21 GLU HG2 H 1 2.373 0.001 . 1 . . . . . 469 E QG . 51624 1 193 . 1 . 1 21 21 GLU HG3 H 1 2.373 0.001 . 1 . . . . . 469 E QG . 51624 1 194 . 1 . 1 21 21 GLU C C 13 175.684 0.026 . 1 . . . . . 469 E C . 51624 1 195 . 1 . 1 21 21 GLU CA C 13 55.082 0.228 . 1 . . . . . 469 E CA . 51624 1 196 . 1 . 1 21 21 GLU CB C 13 29.615 0.094 . 1 . . . . . 469 E CB . 51624 1 197 . 1 . 1 21 21 GLU N N 15 119.643 0.095 . 1 . . . . . 469 E N . 51624 1 198 . 1 . 1 22 22 GLY H H 1 8.433 0.004 . 1 . . . . . 470 G H . 51624 1 199 . 1 . 1 22 22 GLY HA2 H 1 5.032 0.027 . 2 . . . . . 470 G HA2 . 51624 1 200 . 1 . 1 22 22 GLY HA3 H 1 2.848 0.018 . 2 . . . . . 470 G HA3 . 51624 1 201 . 1 . 1 22 22 GLY C C 13 172.002 0.026 . 1 . . . . . 470 G C . 51624 1 202 . 1 . 1 22 22 GLY CA C 13 44.585 0.015 . 1 . . . . . 470 G CA . 51624 1 203 . 1 . 1 22 22 GLY N N 15 111.409 0.093 . 1 . . . . . 470 G N . 51624 1 204 . 1 . 1 23 23 ILE H H 1 9.038 0.006 . 1 . . . . . 471 I H . 51624 1 205 . 1 . 1 23 23 ILE HA H 1 5.278 0.016 . 1 . . . . . 471 I HA . 51624 1 206 . 1 . 1 23 23 ILE HB H 1 1.765 0.007 . 1 . . . . . 471 I HB . 51624 1 207 . 1 . 1 23 23 ILE HG12 H 1 1.492 0.011 . 2 . . . . . 471 I HG12 . 51624 1 208 . 1 . 1 23 23 ILE HG13 H 1 1.13 0.019 . 2 . . . . . 471 I HG13 . 51624 1 209 . 1 . 1 23 23 ILE HG21 H 1 0.844 0.006 . 1 . . . . . 471 I MG . 51624 1 210 . 1 . 1 23 23 ILE HG22 H 1 0.844 0.006 . 1 . . . . . 471 I MG . 51624 1 211 . 1 . 1 23 23 ILE HG23 H 1 0.844 0.006 . 1 . . . . . 471 I MG . 51624 1 212 . 1 . 1 23 23 ILE HD11 H 1 0.83 0.005 . 1 . . . . . 471 I MD . 51624 1 213 . 1 . 1 23 23 ILE HD12 H 1 0.83 0.005 . 1 . . . . . 471 I MD . 51624 1 214 . 1 . 1 23 23 ILE HD13 H 1 0.83 0.005 . 1 . . . . . 471 I MD . 51624 1 215 . 1 . 1 23 23 ILE C C 13 174.566 0.094 . 1 . . . . . 471 I C . 51624 1 216 . 1 . 1 23 23 ILE CA C 13 59.218 0.131 . 1 . . . . . 471 I CA . 51624 1 217 . 1 . 1 23 23 ILE CB C 13 41.66 0.117 . 1 . . . . . 471 I CB . 51624 1 218 . 1 . 1 23 23 ILE CG1 C 13 27.59 0.033 . 1 . . . . . 471 I CG1 . 51624 1 219 . 1 . 1 23 23 ILE CG2 C 13 17.389 0.104 . 1 . . . . . 471 I CG2 . 51624 1 220 . 1 . 1 23 23 ILE CD1 C 13 13.449 0.15 . 1 . . . . . 471 I CD1 . 51624 1 221 . 1 . 1 23 23 ILE N N 15 118.036 0.06 . 1 . . . . . 471 I N . 51624 1 222 . 1 . 1 24 24 ILE H H 1 9.241 0.013 . 1 . . . . . 472 I H . 51624 1 223 . 1 . 1 24 24 ILE HA H 1 5.687 0.007 . 1 . . . . . 472 I HA . 51624 1 224 . 1 . 1 24 24 ILE HB H 1 1.678 0.006 . 1 . . . . . 472 I HB . 51624 1 225 . 1 . 1 24 24 ILE HG12 H 1 1.473 0.012 . 2 . . . . . 472 I HG12 . 51624 1 226 . 1 . 1 24 24 ILE HG13 H 1 0.949 0.009 . 2 . . . . . 472 I HG13 . 51624 1 227 . 1 . 1 24 24 ILE HG21 H 1 1.243 0.007 . 1 . . . . . 472 I MG . 51624 1 228 . 1 . 1 24 24 ILE HG22 H 1 1.243 0.007 . 1 . . . . . 472 I MG . 51624 1 229 . 1 . 1 24 24 ILE HG23 H 1 1.243 0.007 . 1 . . . . . 472 I MG . 51624 1 230 . 1 . 1 24 24 ILE HD11 H 1 0.555 0.006 . 1 . . . . . 472 I MD . 51624 1 231 . 1 . 1 24 24 ILE HD12 H 1 0.555 0.006 . 1 . . . . . 472 I MD . 51624 1 232 . 1 . 1 24 24 ILE HD13 H 1 0.555 0.006 . 1 . . . . . 472 I MD . 51624 1 233 . 1 . 1 24 24 ILE C C 13 173.043 0.045 . 1 . . . . . 472 I C . 51624 1 234 . 1 . 1 24 24 ILE CA C 13 57.678 0.062 . 1 . . . . . 472 I CA . 51624 1 235 . 1 . 1 24 24 ILE CB C 13 41.589 0.19 . 1 . . . . . 472 I CB . 51624 1 236 . 1 . 1 24 24 ILE CG1 C 13 29.014 0.032 . 1 . . . . . 472 I CG1 . 51624 1 237 . 1 . 1 24 24 ILE CG2 C 13 15.943 0.191 . 1 . . . . . 472 I CG2 . 51624 1 238 . 1 . 1 24 24 ILE CD1 C 13 15.076 0.171 . 1 . . . . . 472 I CD1 . 51624 1 239 . 1 . 1 24 24 ILE N N 15 125.502 0.144 . 1 . . . . . 472 I N . 51624 1 240 . 1 . 1 25 25 ILE H H 1 9.236 0.013 . 1 . . . . . 473 I H . 51624 1 241 . 1 . 1 25 25 ILE HA H 1 5.182 0.022 . 1 . . . . . 473 I HA . 51624 1 242 . 1 . 1 25 25 ILE HB H 1 1.936 0.017 . 1 . . . . . 473 I HB . 51624 1 243 . 1 . 1 25 25 ILE HG12 H 1 1.445 0.029 . 1 . . . . . 473 I HG1# . 51624 1 244 . 1 . 1 25 25 ILE HG13 H 1 1.445 0.029 . 1 . . . . . 473 I HG1# . 51624 1 245 . 1 . 1 25 25 ILE HG21 H 1 0.975 0.005 . 1 . . . . . 473 I MG . 51624 1 246 . 1 . 1 25 25 ILE HG22 H 1 0.975 0.005 . 1 . . . . . 473 I MG . 51624 1 247 . 1 . 1 25 25 ILE HG23 H 1 0.975 0.005 . 1 . . . . . 473 I MG . 51624 1 248 . 1 . 1 25 25 ILE HD11 H 1 0.965 0.007 . 1 . . . . . 473 I MD . 51624 1 249 . 1 . 1 25 25 ILE HD12 H 1 0.965 0.007 . 1 . . . . . 473 I MD . 51624 1 250 . 1 . 1 25 25 ILE HD13 H 1 0.965 0.007 . 1 . . . . . 473 I MD . 51624 1 251 . 1 . 1 25 25 ILE C C 13 175.998 0.2 . 1 . . . . . 473 I C . 51624 1 252 . 1 . 1 25 25 ILE CA C 13 60.04 0.138 . 1 . . . . . 473 I CA . 51624 1 253 . 1 . 1 25 25 ILE CB C 13 41.354 0.061 . 1 . . . . . 473 I CB . 51624 1 254 . 1 . 1 25 25 ILE CG1 C 13 27.723 0.322 . 1 . . . . . 473 I CG1 . 51624 1 255 . 1 . 1 25 25 ILE CG2 C 13 17.403 0.21 . 1 . . . . . 473 I CG2 . 51624 1 256 . 1 . 1 25 25 ILE CD1 C 13 14.689 0.073 . 1 . . . . . 473 I CD1 . 51624 1 257 . 1 . 1 25 25 ILE N N 15 125.318 0.112 . 1 . . . . . 473 I N . 51624 1 258 . 1 . 1 26 26 GLY H H 1 10.006 0.004 . 1 . . . . . 474 G H . 51624 1 259 . 1 . 1 26 26 GLY HA2 H 1 5.012 0.025 . 2 . . . . . 474 G HA2 . 51624 1 260 . 1 . 1 26 26 GLY HA3 H 1 3.713 0.015 . 2 . . . . . 474 G HA3 . 51624 1 261 . 1 . 1 26 26 GLY C C 13 173.067 0.2 . 1 . . . . . 474 G C . 51624 1 262 . 1 . 1 26 26 GLY CA C 13 45.37 0.065 . 1 . . . . . 474 G CA . 51624 1 263 . 1 . 1 26 26 GLY N N 15 117.331 0.086 . 1 . . . . . 474 G N . 51624 1 264 . 1 . 1 27 27 THR H H 1 8.784 0.005 . 1 . . . . . 475 T H . 51624 1 265 . 1 . 1 27 27 THR HA H 1 5.105 0.019 . 1 . . . . . 475 T HA . 51624 1 266 . 1 . 1 27 27 THR HB H 1 4.584 0.012 . 1 . . . . . 475 T HB . 51624 1 267 . 1 . 1 27 27 THR HG21 H 1 1.288 0.007 . 1 . . . . . 475 T MG . 51624 1 268 . 1 . 1 27 27 THR HG22 H 1 1.288 0.007 . 1 . . . . . 475 T MG . 51624 1 269 . 1 . 1 27 27 THR HG23 H 1 1.288 0.007 . 1 . . . . . 475 T MG . 51624 1 270 . 1 . 1 27 27 THR C C 13 175.14 0.012 . 1 . . . . . 475 T C . 51624 1 271 . 1 . 1 27 27 THR CA C 13 59.994 0.212 . 1 . . . . . 475 T CA . 51624 1 272 . 1 . 1 27 27 THR CB C 13 71.862 0.102 . 1 . . . . . 475 T CB . 51624 1 273 . 1 . 1 27 27 THR CG2 C 13 20.602 0.127 . 1 . . . . . 475 T CG2 . 51624 1 274 . 1 . 1 27 27 THR N N 15 116.749 0.419 . 1 . . . . . 475 T N . 51624 1 275 . 1 . 1 28 28 GLU H H 1 8.789 0.005 . 1 . . . . . 476 E H . 51624 1 276 . 1 . 1 28 28 GLU HA H 1 4.077 0.01 . 1 . . . . . 476 E HA . 51624 1 277 . 1 . 1 28 28 GLU HB2 H 1 2.032 0.01 . 1 . . . . . 476 E QB . 51624 1 278 . 1 . 1 28 28 GLU HB3 H 1 2.032 0.01 . 1 . . . . . 476 E QB . 51624 1 279 . 1 . 1 28 28 GLU HG2 H 1 2.308 0.02 . 1 . . . . . 476 E QG . 51624 1 280 . 1 . 1 28 28 GLU HG3 H 1 2.308 0.02 . 1 . . . . . 476 E QG . 51624 1 281 . 1 . 1 28 28 GLU C C 13 176.738 0.004 . 1 . . . . . 476 E C . 51624 1 282 . 1 . 1 28 28 GLU CA C 13 58.657 0.161 . 1 . . . . . 476 E CA . 51624 1 283 . 1 . 1 28 28 GLU CB C 13 29.303 0.172 . 1 . . . . . 476 E CB . 51624 1 284 . 1 . 1 28 28 GLU CG C 13 36.482 0.2 . 1 . . . . . 476 E CG . 51624 1 285 . 1 . 1 28 28 GLU N N 15 118.96 0.213 . 1 . . . . . 476 E N . 51624 1 286 . 1 . 1 29 29 ASP H H 1 8.088 0.004 . 1 . . . . . 477 D H . 51624 1 287 . 1 . 1 29 29 ASP HA H 1 4.741 0.012 . 1 . . . . . 477 D HA . 51624 1 288 . 1 . 1 29 29 ASP HB2 H 1 2.662 0.023 . 2 . . . . . 477 D HB2 . 51624 1 289 . 1 . 1 29 29 ASP HB3 H 1 2.462 0.004 . 2 . . . . . 477 D HB3 . 51624 1 290 . 1 . 1 29 29 ASP C C 13 175.4 0.2 . 1 . . . . . 477 D C . 51624 1 291 . 1 . 1 29 29 ASP CA C 13 55.113 0.118 . 1 . . . . . 477 D CA . 51624 1 292 . 1 . 1 29 29 ASP CB C 13 42.894 0.101 . 1 . . . . . 477 D CB . 51624 1 293 . 1 . 1 29 29 ASP N N 15 115.825 0.076 . 1 . . . . . 477 D N . 51624 1 294 . 1 . 1 30 30 ASP H H 1 7.954 0.01 . 1 . . . . . 478 D H . 51624 1 295 . 1 . 1 30 30 ASP HA H 1 4.645 0.011 . 1 . . . . . 478 D HA . 51624 1 296 . 1 . 1 30 30 ASP HB2 H 1 3.014 0.003 . 2 . . . . . 478 D HB2 . 51624 1 297 . 1 . 1 30 30 ASP HB3 H 1 2.747 0.024 . 2 . . . . . 478 D HB3 . 51624 1 298 . 1 . 1 30 30 ASP C C 13 173.145 0.012 . 1 . . . . . 478 D C . 51624 1 299 . 1 . 1 30 30 ASP CA C 13 53.572 0.172 . 1 . . . . . 478 D CA . 51624 1 300 . 1 . 1 30 30 ASP CB C 13 41.752 0.184 . 1 . . . . . 478 D CB . 51624 1 301 . 1 . 1 30 30 ASP N N 15 118.07 0.151 . 1 . . . . . 478 D N . 51624 1 302 . 1 . 1 31 31 ILE H H 1 8.348 0.007 . 1 . . . . . 479 I H . 51624 1 303 . 1 . 1 31 31 ILE HA H 1 4.94 0.024 . 1 . . . . . 479 I HA . 51624 1 304 . 1 . 1 31 31 ILE HB H 1 1.703 0.027 . 1 . . . . . 479 I HB . 51624 1 305 . 1 . 1 31 31 ILE HG21 H 1 0.777 0.008 . 1 . . . . . 479 I MG . 51624 1 306 . 1 . 1 31 31 ILE HG22 H 1 0.777 0.008 . 1 . . . . . 479 I MG . 51624 1 307 . 1 . 1 31 31 ILE HG23 H 1 0.777 0.008 . 1 . . . . . 479 I MG . 51624 1 308 . 1 . 1 31 31 ILE HD11 H 1 0.758 0.006 . 1 . . . . . 479 I MD . 51624 1 309 . 1 . 1 31 31 ILE HD12 H 1 0.758 0.006 . 1 . . . . . 479 I MD . 51624 1 310 . 1 . 1 31 31 ILE HD13 H 1 0.758 0.006 . 1 . . . . . 479 I MD . 51624 1 311 . 1 . 1 31 31 ILE C C 13 175.066 0.044 . 1 . . . . . 479 I C . 51624 1 312 . 1 . 1 31 31 ILE CA C 13 60.959 0.152 . 1 . . . . . 479 I CA . 51624 1 313 . 1 . 1 31 31 ILE CB C 13 39.688 0.162 . 1 . . . . . 479 I CB . 51624 1 314 . 1 . 1 31 31 ILE CG2 C 13 18.909 0.094 . 1 . . . . . 479 I CG2 . 51624 1 315 . 1 . 1 31 31 ILE CD1 C 13 13.532 0.214 . 1 . . . . . 479 I CD1 . 51624 1 316 . 1 . 1 31 31 ILE N N 15 120.068 0.131 . 1 . . . . . 479 I N . 51624 1 317 . 1 . 1 32 32 ARG H H 1 9.088 0.007 . 1 . . . . . 480 R H . 51624 1 318 . 1 . 1 32 32 ARG HA H 1 5.498 0.008 . 1 . . . . . 480 R HA . 51624 1 319 . 1 . 1 32 32 ARG HB2 H 1 1.922 0.02 . 2 . . . . . 480 R HB2 . 51624 1 320 . 1 . 1 32 32 ARG HB3 H 1 1.764 0.02 . 2 . . . . . 480 R HB3 . 51624 1 321 . 1 . 1 32 32 ARG HG2 H 1 1.667 0.02 . 1 . . . . . 480 R QG . 51624 1 322 . 1 . 1 32 32 ARG HG3 H 1 1.667 0.02 . 1 . . . . . 480 R QG . 51624 1 323 . 1 . 1 32 32 ARG HD2 H 1 3.058 0.02 . 1 . . . . . 480 R QD . 51624 1 324 . 1 . 1 32 32 ARG HD3 H 1 3.058 0.02 . 1 . . . . . 480 R QD . 51624 1 325 . 1 . 1 32 32 ARG C C 13 174.413 0.01 . 1 . . . . . 480 R C . 51624 1 326 . 1 . 1 32 32 ARG CA C 13 55.076 0.141 . 1 . . . . . 480 R CA . 51624 1 327 . 1 . 1 32 32 ARG CB C 13 34.717 0.123 . 1 . . . . . 480 R CB . 51624 1 328 . 1 . 1 32 32 ARG N N 15 125.408 0.099 . 1 . . . . . 480 R N . 51624 1 329 . 1 . 1 33 33 ILE H H 1 8.807 0.011 . 1 . . . . . 481 I H . 51624 1 330 . 1 . 1 33 33 ILE HA H 1 5.207 0.013 . 1 . . . . . 481 I HA . 51624 1 331 . 1 . 1 33 33 ILE HB H 1 1.636 0.014 . 1 . . . . . 481 I HB . 51624 1 332 . 1 . 1 33 33 ILE HG12 H 1 1.315 0.003 . 2 . . . . . 481 I HG12 . 51624 1 333 . 1 . 1 33 33 ILE HG13 H 1 1.127 0.019 . 2 . . . . . 481 I HG13 . 51624 1 334 . 1 . 1 33 33 ILE HG21 H 1 1.213 0.012 . 1 . . . . . 481 I MG . 51624 1 335 . 1 . 1 33 33 ILE HG22 H 1 1.213 0.012 . 1 . . . . . 481 I MG . 51624 1 336 . 1 . 1 33 33 ILE HG23 H 1 1.213 0.012 . 1 . . . . . 481 I MG . 51624 1 337 . 1 . 1 33 33 ILE HD11 H 1 0.58 0.009 . 1 . . . . . 481 I MD . 51624 1 338 . 1 . 1 33 33 ILE HD12 H 1 0.58 0.009 . 1 . . . . . 481 I MD . 51624 1 339 . 1 . 1 33 33 ILE HD13 H 1 0.58 0.009 . 1 . . . . . 481 I MD . 51624 1 340 . 1 . 1 33 33 ILE C C 13 173.483 0.039 . 1 . . . . . 481 I C . 51624 1 341 . 1 . 1 33 33 ILE CA C 13 59.345 0.23 . 1 . . . . . 481 I CA . 51624 1 342 . 1 . 1 33 33 ILE CB C 13 40.091 0.168 . 1 . . . . . 481 I CB . 51624 1 343 . 1 . 1 33 33 ILE CG1 C 13 27.571 0.026 . 1 . . . . . 481 I CG1 . 51624 1 344 . 1 . 1 33 33 ILE CG2 C 13 18.062 0.081 . 1 . . . . . 481 I CG2 . 51624 1 345 . 1 . 1 33 33 ILE CD1 C 13 13.264 0.101 . 1 . . . . . 481 I CD1 . 51624 1 346 . 1 . 1 33 33 ILE N N 15 120.141 0.121 . 1 . . . . . 481 I N . 51624 1 347 . 1 . 1 34 34 TYR H H 1 9.168 0.01 . 1 . . . . . 482 Y H . 51624 1 348 . 1 . 1 34 34 TYR HA H 1 4.933 0.014 . 1 . . . . . 482 Y HA . 51624 1 349 . 1 . 1 34 34 TYR HB2 H 1 3.195 0.013 . 1 . . . . . 482 Y QB . 51624 1 350 . 1 . 1 34 34 TYR HB3 H 1 3.195 0.013 . 1 . . . . . 482 Y QB . 51624 1 351 . 1 . 1 34 34 TYR HD1 H 1 7.143 0.014 . 1 . . . . . 482 Y QD . 51624 1 352 . 1 . 1 34 34 TYR HD2 H 1 7.143 0.014 . 1 . . . . . 482 Y QD . 51624 1 353 . 1 . 1 34 34 TYR HE1 H 1 6.138 0.007 . 1 . . . . . 482 Y QE . 51624 1 354 . 1 . 1 34 34 TYR HE2 H 1 6.138 0.007 . 1 . . . . . 482 Y QE . 51624 1 355 . 1 . 1 34 34 TYR C C 13 175.987 0.2 . 1 . . . . . 482 Y C . 51624 1 356 . 1 . 1 34 34 TYR CA C 13 55.908 0.06 . 1 . . . . . 482 Y CA . 51624 1 357 . 1 . 1 34 34 TYR CB C 13 42.352 0.107 . 1 . . . . . 482 Y CB . 51624 1 358 . 1 . 1 34 34 TYR CE1 C 13 118.084 0.2 . 1 . . . . . 482 Y CE1 . 51624 1 359 . 1 . 1 34 34 TYR CE2 C 13 118.084 0.2 . 1 . . . . . 482 Y CE2 . 51624 1 360 . 1 . 1 34 34 TYR N N 15 124.284 0.078 . 1 . . . . . 482 Y N . 51624 1 361 . 1 . 1 35 35 LYS H H 1 9.338 0.012 . 1 . . . . . 483 K H . 51624 1 362 . 1 . 1 35 35 LYS HB2 H 1 1.79 0.008 . 1 . . . . . 483 K QB . 51624 1 363 . 1 . 1 35 35 LYS HB3 H 1 1.79 0.008 . 1 . . . . . 483 K QB . 51624 1 364 . 1 . 1 35 35 LYS HG2 H 1 1.379 0.003 . 1 . . . . . 483 K QG . 51624 1 365 . 1 . 1 35 35 LYS HG3 H 1 1.379 0.003 . 1 . . . . . 483 K QG . 51624 1 366 . 1 . 1 35 35 LYS HD2 H 1 1.644 0.008 . 1 . . . . . 483 K QD . 51624 1 367 . 1 . 1 35 35 LYS HD3 H 1 1.644 0.008 . 1 . . . . . 483 K QD . 51624 1 368 . 1 . 1 35 35 LYS HE2 H 1 2.961 0.004 . 1 . . . . . 483 K QE . 51624 1 369 . 1 . 1 35 35 LYS HE3 H 1 2.961 0.004 . 1 . . . . . 483 K QE . 51624 1 370 . 1 . 1 35 35 LYS C C 13 178.015 0.051 . 1 . . . . . 483 K C . 51624 1 371 . 1 . 1 35 35 LYS CA C 13 56.654 0.13 . 1 . . . . . 483 K CA . 51624 1 372 . 1 . 1 35 35 LYS CB C 13 33.053 0.239 . 1 . . . . . 483 K CB . 51624 1 373 . 1 . 1 35 35 LYS CG C 13 24.403 0.13 . 1 . . . . . 483 K CG . 51624 1 374 . 1 . 1 35 35 LYS CD C 13 28.941 0.042 . 1 . . . . . 483 K CD . 51624 1 375 . 1 . 1 35 35 LYS CE C 13 41.726 0.194 . 1 . . . . . 483 K CE . 51624 1 376 . 1 . 1 35 35 LYS N N 15 124.094 0.092 . 1 . . . . . 483 K N . 51624 1 377 . 1 . 1 36 36 ARG H H 1 8.96 0.008 . 1 . . . . . 484 R H . 51624 1 378 . 1 . 1 36 36 ARG HA H 1 3.719 0.005 . 1 . . . . . 484 R HA . 51624 1 379 . 1 . 1 36 36 ARG HB2 H 1 1.991 0.02 . 2 . . . . . 484 R HB2 . 51624 1 380 . 1 . 1 36 36 ARG HB3 H 1 1.785 0.02 . 2 . . . . . 484 R HB3 . 51624 1 381 . 1 . 1 36 36 ARG HG2 H 1 1.708 0.02 . 2 . . . . . 484 R HG2 . 51624 1 382 . 1 . 1 36 36 ARG HG3 H 1 1.59 0.02 . 2 . . . . . 484 R HG3 . 51624 1 383 . 1 . 1 36 36 ARG C C 13 174.658 0.2 . 1 . . . . . 484 R C . 51624 1 384 . 1 . 1 36 36 ARG CA C 13 60.532 0.059 . 1 . . . . . 484 R CA . 51624 1 385 . 1 . 1 36 36 ARG CB C 13 33.736 0.2 . 1 . . . . . 484 R CB . 51624 1 386 . 1 . 1 36 36 ARG N N 15 125.332 0.109 . 1 . . . . . 484 R N . 51624 1 387 . 1 . 1 37 37 ASP H H 1 8.16 0.01 . 1 . . . . . 485 D H . 51624 1 388 . 1 . 1 37 37 ASP HA H 1 4.719 0.012 . 1 . . . . . 485 D HA . 51624 1 389 . 1 . 1 37 37 ASP HB2 H 1 3.121 0.01 . 2 . . . . . 485 D HB2 . 51624 1 390 . 1 . 1 37 37 ASP HB3 H 1 2.573 0.005 . 2 . . . . . 485 D HB3 . 51624 1 391 . 1 . 1 37 37 ASP C C 13 175.756 0.2 . 1 . . . . . 485 D C . 51624 1 392 . 1 . 1 37 37 ASP CA C 13 52.865 0.042 . 1 . . . . . 485 D CA . 51624 1 393 . 1 . 1 37 37 ASP CB C 13 39.182 0.089 . 1 . . . . . 485 D CB . 51624 1 394 . 1 . 1 37 37 ASP N N 15 112.956 0.038 . 1 . . . . . 485 D N . 51624 1 395 . 1 . 1 38 38 GLU H H 1 8.234 0.01 . 1 . . . . . 486 E H . 51624 1 396 . 1 . 1 38 38 GLU HA H 1 4.881 0.036 . 1 . . . . . 486 E HA . 51624 1 397 . 1 . 1 38 38 GLU HB2 H 1 1.999 0.02 . 2 . . . . . 486 E HB2 . 51624 1 398 . 1 . 1 38 38 GLU HB3 H 1 2.082 0.02 . 2 . . . . . 486 E HB3 . 51624 1 399 . 1 . 1 38 38 GLU HG2 H 1 2.377 0.005 . 2 . . . . . 486 E HG2 . 51624 1 400 . 1 . 1 38 38 GLU HG3 H 1 2.257 0.012 . 2 . . . . . 486 E HG3 . 51624 1 401 . 1 . 1 38 38 GLU C C 13 177.378 0.018 . 1 . . . . . 486 E C . 51624 1 402 . 1 . 1 38 38 GLU CA C 13 55.163 0.449 . 1 . . . . . 486 E CA . 51624 1 403 . 1 . 1 38 38 GLU CB C 13 30.745 0.267 . 1 . . . . . 486 E CB . 51624 1 404 . 1 . 1 38 38 GLU N N 15 123.018 0.096 . 1 . . . . . 486 E N . 51624 1 405 . 1 . 1 39 39 LEU H H 1 8.514 0.008 . 1 . . . . . 487 L H . 51624 1 406 . 1 . 1 39 39 LEU HA H 1 4.345 0.018 . 1 . . . . . 487 L HA . 51624 1 407 . 1 . 1 39 39 LEU HB2 H 1 1.733 0.004 . 2 . . . . . 487 L HB2 . 51624 1 408 . 1 . 1 39 39 LEU HB3 H 1 1.829 0.008 . 2 . . . . . 487 L HB3 . 51624 1 409 . 1 . 1 39 39 LEU HD11 H 1 0.897 0.009 . 1 . . . . . 487 L MD1 . 51624 1 410 . 1 . 1 39 39 LEU HD12 H 1 0.897 0.009 . 1 . . . . . 487 L MD1 . 51624 1 411 . 1 . 1 39 39 LEU HD13 H 1 0.897 0.009 . 1 . . . . . 487 L MD1 . 51624 1 412 . 1 . 1 39 39 LEU HD21 H 1 0.616 0.011 . 1 . . . . . 487 L MD2 . 51624 1 413 . 1 . 1 39 39 LEU HD22 H 1 0.616 0.011 . 1 . . . . . 487 L MD2 . 51624 1 414 . 1 . 1 39 39 LEU HD23 H 1 0.616 0.011 . 1 . . . . . 487 L MD2 . 51624 1 415 . 1 . 1 39 39 LEU C C 13 177.738 0.076 . 1 . . . . . 487 L C . 51624 1 416 . 1 . 1 39 39 LEU CA C 13 54.569 0.078 . 1 . . . . . 487 L CA . 51624 1 417 . 1 . 1 39 39 LEU CB C 13 41.016 0.32 . 1 . . . . . 487 L CB . 51624 1 418 . 1 . 1 39 39 LEU CD1 C 13 25.555 0.039 . 1 . . . . . 487 L CD1 . 51624 1 419 . 1 . 1 39 39 LEU CD2 C 13 23.651 0.053 . 1 . . . . . 487 L CD2 . 51624 1 420 . 1 . 1 39 39 LEU N N 15 123.282 0.201 . 1 . . . . . 487 L N . 51624 1 421 . 1 . 1 40 40 ILE H H 1 7.741 0.015 . 1 . . . . . 488 I H . 51624 1 422 . 1 . 1 40 40 ILE HA H 1 3.885 0.009 . 1 . . . . . 488 I HA . 51624 1 423 . 1 . 1 40 40 ILE HB H 1 1.991 0.007 . 1 . . . . . 488 I HB . 51624 1 424 . 1 . 1 40 40 ILE HG12 H 1 1.272 0.011 . 2 . . . . . 488 I HG12 . 51624 1 425 . 1 . 1 40 40 ILE HG13 H 1 1.542 0.017 . 2 . . . . . 488 I HG13 . 51624 1 426 . 1 . 1 40 40 ILE HG21 H 1 0.979 0.01 . 1 . . . . . 488 I MG . 51624 1 427 . 1 . 1 40 40 ILE HG22 H 1 0.979 0.01 . 1 . . . . . 488 I MG . 51624 1 428 . 1 . 1 40 40 ILE HG23 H 1 0.979 0.01 . 1 . . . . . 488 I MG . 51624 1 429 . 1 . 1 40 40 ILE HD11 H 1 0.953 0.012 . 1 . . . . . 488 I MD . 51624 1 430 . 1 . 1 40 40 ILE HD12 H 1 0.953 0.012 . 1 . . . . . 488 I MD . 51624 1 431 . 1 . 1 40 40 ILE HD13 H 1 0.953 0.012 . 1 . . . . . 488 I MD . 51624 1 432 . 1 . 1 40 40 ILE C C 13 177.022 0.085 . 1 . . . . . 488 I C . 51624 1 433 . 1 . 1 40 40 ILE CA C 13 64.058 0.139 . 1 . . . . . 488 I CA . 51624 1 434 . 1 . 1 40 40 ILE CB C 13 38.029 0.134 . 1 . . . . . 488 I CB . 51624 1 435 . 1 . 1 40 40 ILE CG1 C 13 28.801 0.152 . 1 . . . . . 488 I CG1 . 51624 1 436 . 1 . 1 40 40 ILE CG2 C 13 17.548 0.129 . 1 . . . . . 488 I CG2 . 51624 1 437 . 1 . 1 40 40 ILE CD1 C 13 13.154 0.152 . 1 . . . . . 488 I CD1 . 51624 1 438 . 1 . 1 40 40 ILE N N 15 121.278 0.092 . 1 . . . . . 488 I N . 51624 1 439 . 1 . 1 41 41 GLU H H 1 8.936 0.009 . 1 . . . . . 489 E H . 51624 1 440 . 1 . 1 41 41 GLU HA H 1 4.318 0.008 . 1 . . . . . 489 E HA . 51624 1 441 . 1 . 1 41 41 GLU HB2 H 1 1.82 0.02 . 2 . . . . . 489 E HB2 . 51624 1 442 . 1 . 1 41 41 GLU HB3 H 1 2.212 0.02 . 2 . . . . . 489 E HB3 . 51624 1 443 . 1 . 1 41 41 GLU HG2 H 1 2.381 0.006 . 1 . . . . . 489 E QG . 51624 1 444 . 1 . 1 41 41 GLU HG3 H 1 2.381 0.006 . 1 . . . . . 489 E QG . 51624 1 445 . 1 . 1 41 41 GLU C C 13 176.399 0.2 . 1 . . . . . 489 E C . 51624 1 446 . 1 . 1 41 41 GLU CA C 13 55.908 0.032 . 1 . . . . . 489 E CA . 51624 1 447 . 1 . 1 41 41 GLU CB C 13 29.014 0.2 . 1 . . . . . 489 E CB . 51624 1 448 . 1 . 1 41 41 GLU N N 15 117.776 0.058 . 1 . . . . . 489 E N . 51624 1 449 . 1 . 1 42 42 SER H H 1 7.326 0.014 . 1 . . . . . 490 S H . 51624 1 450 . 1 . 1 42 42 SER HA H 1 3.809 0.022 . 1 . . . . . 490 S HA . 51624 1 451 . 1 . 1 42 42 SER HB2 H 1 3.239 0.021 . 1 . . . . . 490 S QB . 51624 1 452 . 1 . 1 42 42 SER HB3 H 1 3.239 0.021 . 1 . . . . . 490 S QB . 51624 1 453 . 1 . 1 42 42 SER C C 13 175.186 0.2 . 1 . . . . . 490 S C . 51624 1 454 . 1 . 1 42 42 SER CA C 13 56.728 0.212 . 1 . . . . . 490 S CA . 51624 1 455 . 1 . 1 42 42 SER CB C 13 63.506 0.006 . 1 . . . . . 490 S CB . 51624 1 456 . 1 . 1 42 42 SER N N 15 115.334 0.074 . 1 . . . . . 490 S N . 51624 1 457 . 1 . 1 43 43 LYS H H 1 8.185 0.007 . 1 . . . . . 491 K H . 51624 1 458 . 1 . 1 43 43 LYS HA H 1 3.832 0.012 . 1 . . . . . 491 K HA . 51624 1 459 . 1 . 1 43 43 LYS C C 13 175.507 0.2 . 1 . . . . . 491 K C . 51624 1 460 . 1 . 1 43 43 LYS CA C 13 57.629 0.28 . 1 . . . . . 491 K CA . 51624 1 461 . 1 . 1 43 43 LYS CB C 13 31.849 0.061 . 1 . . . . . 491 K CB . 51624 1 462 . 1 . 1 43 43 LYS CG C 13 23.481 0.2 . 1 . . . . . 491 K CG . 51624 1 463 . 1 . 1 44 44 TYR H H 1 7.361 0.011 . 1 . . . . . 492 Y H . 51624 1 464 . 1 . 1 44 44 TYR HA H 1 4.899 0.017 . 1 . . . . . 492 Y HA . 51624 1 465 . 1 . 1 44 44 TYR HB2 H 1 2.813 0.002 . 1 . . . . . 492 Y QB . 51624 1 466 . 1 . 1 44 44 TYR HB3 H 1 2.813 0.002 . 1 . . . . . 492 Y QB . 51624 1 467 . 1 . 1 44 44 TYR HD1 H 1 6.681 0.011 . 1 . . . . . 492 Y QD . 51624 1 468 . 1 . 1 44 44 TYR HD2 H 1 6.681 0.011 . 1 . . . . . 492 Y QD . 51624 1 469 . 1 . 1 44 44 TYR HE1 H 1 6.542 0.015 . 1 . . . . . 492 Y QE . 51624 1 470 . 1 . 1 44 44 TYR HE2 H 1 6.542 0.015 . 1 . . . . . 492 Y QE . 51624 1 471 . 1 . 1 44 44 TYR C C 13 173.914 0.001 . 1 . . . . . 492 Y C . 51624 1 472 . 1 . 1 44 44 TYR CA C 13 55.384 0.105 . 1 . . . . . 492 Y CA . 51624 1 473 . 1 . 1 44 44 TYR CB C 13 40.899 0.2 . 1 . . . . . 492 Y CB . 51624 1 474 . 1 . 1 44 44 TYR CE1 C 13 117.959 0.2 . 1 . . . . . 492 Y CE1 . 51624 1 475 . 1 . 1 44 44 TYR CE2 C 13 117.959 0.2 . 1 . . . . . 492 Y CE2 . 51624 1 476 . 1 . 1 44 44 TYR N N 15 115.577 0.136 . 1 . . . . . 492 Y N . 51624 1 477 . 1 . 1 45 45 LYS H H 1 8.593 0.009 . 1 . . . . . 493 K H . 51624 1 478 . 1 . 1 45 45 LYS HA H 1 4.643 0.02 . 1 . . . . . 493 K HA . 51624 1 479 . 1 . 1 45 45 LYS HB2 H 1 1.889 0.003 . 1 . . . . . 493 K QB . 51624 1 480 . 1 . 1 45 45 LYS HB3 H 1 1.889 0.003 . 1 . . . . . 493 K QB . 51624 1 481 . 1 . 1 45 45 LYS HG2 H 1 1.356 0.007 . 1 . . . . . 493 K QG . 51624 1 482 . 1 . 1 45 45 LYS HG3 H 1 1.356 0.007 . 1 . . . . . 493 K QG . 51624 1 483 . 1 . 1 45 45 LYS HD2 H 1 1.667 0 . 1 . . . . . 493 K QD . 51624 1 484 . 1 . 1 45 45 LYS HD3 H 1 1.667 0 . 1 . . . . . 493 K QD . 51624 1 485 . 1 . 1 45 45 LYS C C 13 175.565 0.074 . 1 . . . . . 493 K C . 51624 1 486 . 1 . 1 45 45 LYS CA C 13 53.844 0.109 . 1 . . . . . 493 K CA . 51624 1 487 . 1 . 1 45 45 LYS CB C 13 35.145 0.268 . 1 . . . . . 493 K CB . 51624 1 488 . 1 . 1 45 45 LYS N N 15 119.119 0.095 . 1 . . . . . 493 K N . 51624 1 489 . 1 . 1 46 46 GLU H H 1 8.25 0.007 . 1 . . . . . 494 E H . 51624 1 490 . 1 . 1 46 46 GLU HA H 1 4.663 0.017 . 1 . . . . . 494 E HA . 51624 1 491 . 1 . 1 46 46 GLU HG2 H 1 2.393 0.001 . 2 . . . . . 494 E HG2 . 51624 1 492 . 1 . 1 46 46 GLU HG3 H 1 2.233 0.002 . 2 . . . . . 494 E HG3 . 51624 1 493 . 1 . 1 46 46 GLU C C 13 176.2 0.036 . 1 . . . . . 494 E C . 51624 1 494 . 1 . 1 46 46 GLU CA C 13 57.394 0.098 . 1 . . . . . 494 E CA . 51624 1 495 . 1 . 1 46 46 GLU CB C 13 28.935 0.069 . 1 . . . . . 494 E CB . 51624 1 496 . 1 . 1 46 46 GLU N N 15 121.775 0.114 . 1 . . . . . 494 E N . 51624 1 497 . 1 . 1 47 47 MET H H 1 8.475 0.005 . 1 . . . . . 495 M H . 51624 1 498 . 1 . 1 47 47 MET HA H 1 4.879 0.027 . 1 . . . . . 495 M HA . 51624 1 499 . 1 . 1 47 47 MET HB2 H 1 1.798 0.008 . 2 . . . . . 495 M HB2 . 51624 1 500 . 1 . 1 47 47 MET HB3 H 1 1.648 0.005 . 2 . . . . . 495 M HB3 . 51624 1 501 . 1 . 1 47 47 MET HG2 H 1 2.079 0.009 . 2 . . . . . 495 M HG2 . 51624 1 502 . 1 . 1 47 47 MET HG3 H 1 2.244 0.009 . 2 . . . . . 495 M HG3 . 51624 1 503 . 1 . 1 47 47 MET HE1 H 1 1.742 0.003 . 1 . . . . . 495 M ME . 51624 1 504 . 1 . 1 47 47 MET HE2 H 1 1.742 0.003 . 1 . . . . . 495 M ME . 51624 1 505 . 1 . 1 47 47 MET HE3 H 1 1.742 0.003 . 1 . . . . . 495 M ME . 51624 1 506 . 1 . 1 47 47 MET C C 13 174.192 0.066 . 1 . . . . . 495 M C . 51624 1 507 . 1 . 1 47 47 MET CA C 13 54.233 0.232 . 1 . . . . . 495 M CA . 51624 1 508 . 1 . 1 47 47 MET CB C 13 36.173 0.22 . 1 . . . . . 495 M CB . 51624 1 509 . 1 . 1 47 47 MET CG C 13 30.88 0.157 . 1 . . . . . 495 M CG . 51624 1 510 . 1 . 1 47 47 MET CE C 13 16.386 0.256 . 1 . . . . . 495 M CE . 51624 1 511 . 1 . 1 47 47 MET N N 15 124.143 0.072 . 1 . . . . . 495 M N . 51624 1 512 . 1 . 1 48 48 CYS H H 1 8.24 0.019 . 1 . . . . . 496 C H . 51624 1 513 . 1 . 1 48 48 CYS HA H 1 4.45 0.019 . 1 . . . . . 496 C HA . 51624 1 514 . 1 . 1 48 48 CYS HB2 H 1 2.473 0.007 . 2 . . . . . 496 C HB2 . 51624 1 515 . 1 . 1 48 48 CYS HB3 H 1 2.678 0.028 . 2 . . . . . 496 C HB3 . 51624 1 516 . 1 . 1 48 48 CYS C C 13 172.946 0.035 . 1 . . . . . 496 C C . 51624 1 517 . 1 . 1 48 48 CYS CA C 13 57.866 0.251 . 1 . . . . . 496 C CA . 51624 1 518 . 1 . 1 48 48 CYS CB C 13 29.125 0.239 . 1 . . . . . 496 C CB . 51624 1 519 . 1 . 1 48 48 CYS N N 15 119.479 0.174 . 1 . . . . . 496 C N . 51624 1 520 . 1 . 1 49 49 ILE H H 1 8.167 0.008 . 1 . . . . . 497 I H . 51624 1 521 . 1 . 1 49 49 ILE HA H 1 4.935 0.02 . 1 . . . . . 497 I HA . 51624 1 522 . 1 . 1 49 49 ILE HB H 1 1.763 0.018 . 1 . . . . . 497 I HB . 51624 1 523 . 1 . 1 49 49 ILE HG12 H 1 1.416 0.031 . 2 . . . . . 497 I HG12 . 51624 1 524 . 1 . 1 49 49 ILE HG13 H 1 0.432 0.02 . 2 . . . . . 497 I HG13 . 51624 1 525 . 1 . 1 49 49 ILE HG21 H 1 0.767 0.018 . 1 . . . . . 497 I MG . 51624 1 526 . 1 . 1 49 49 ILE HG22 H 1 0.767 0.018 . 1 . . . . . 497 I MG . 51624 1 527 . 1 . 1 49 49 ILE HG23 H 1 0.767 0.018 . 1 . . . . . 497 I MG . 51624 1 528 . 1 . 1 49 49 ILE HD11 H 1 0.784 0.006 . 1 . . . . . 497 I MD . 51624 1 529 . 1 . 1 49 49 ILE HD12 H 1 0.784 0.006 . 1 . . . . . 497 I MD . 51624 1 530 . 1 . 1 49 49 ILE HD13 H 1 0.784 0.006 . 1 . . . . . 497 I MD . 51624 1 531 . 1 . 1 49 49 ILE C C 13 174.178 0.027 . 1 . . . . . 497 I C . 51624 1 532 . 1 . 1 49 49 ILE CA C 13 59.975 0.151 . 1 . . . . . 497 I CA . 51624 1 533 . 1 . 1 49 49 ILE CB C 13 38.881 0.155 . 1 . . . . . 497 I CB . 51624 1 534 . 1 . 1 49 49 ILE CG1 C 13 27 0 . 1 . . . . . 497 I CG1 . 51624 1 535 . 1 . 1 49 49 ILE CG2 C 13 17.22 0.04 . 1 . . . . . 497 I CG2 . 51624 1 536 . 1 . 1 49 49 ILE CD1 C 13 13.999 0.071 . 1 . . . . . 497 I CD1 . 51624 1 537 . 1 . 1 49 49 ILE N N 15 124.897 0.136 . 1 . . . . . 497 I N . 51624 1 538 . 1 . 1 50 50 TYR H H 1 9.368 0.006 . 1 . . . . . 498 Y H . 51624 1 539 . 1 . 1 50 50 TYR HA H 1 4.698 0.014 . 1 . . . . . 498 Y HA . 51624 1 540 . 1 . 1 50 50 TYR HB2 H 1 2.995 0.003 . 2 . . . . . 498 Y HB2 . 51624 1 541 . 1 . 1 50 50 TYR HB3 H 1 2.909 0.002 . 2 . . . . . 498 Y HB3 . 51624 1 542 . 1 . 1 50 50 TYR HD1 H 1 6.899 0.013 . 1 . . . . . 498 Y QD . 51624 1 543 . 1 . 1 50 50 TYR HD2 H 1 6.899 0.013 . 1 . . . . . 498 Y QD . 51624 1 544 . 1 . 1 50 50 TYR HE1 H 1 6.653 0.007 . 1 . . . . . 498 Y QE . 51624 1 545 . 1 . 1 50 50 TYR HE2 H 1 6.653 0.007 . 1 . . . . . 498 Y QE . 51624 1 546 . 1 . 1 50 50 TYR C C 13 174.208 0.2 . 1 . . . . . 498 Y C . 51624 1 547 . 1 . 1 50 50 TYR CA C 13 57.399 0.033 . 1 . . . . . 498 Y CA . 51624 1 548 . 1 . 1 50 50 TYR CB C 13 39.808 0.111 . 1 . . . . . 498 Y CB . 51624 1 549 . 1 . 1 50 50 TYR CE1 C 13 117.71 0.2 . 1 . . . . . 498 Y CE1 . 51624 1 550 . 1 . 1 50 50 TYR CE2 C 13 117.71 0.2 . 1 . . . . . 498 Y CE2 . 51624 1 551 . 1 . 1 50 50 TYR N N 15 128.044 0.07 . 1 . . . . . 498 Y N . 51624 1 552 . 1 . 1 51 51 GLU H H 1 8.862 0.008 . 1 . . . . . 499 E H . 51624 1 553 . 1 . 1 51 51 GLU HA H 1 4.852 0.013 . 1 . . . . . 499 E HA . 51624 1 554 . 1 . 1 51 51 GLU HB2 H 1 -0.104 0.008 . 2 . . . . . 499 E HB2 . 51624 1 555 . 1 . 1 51 51 GLU HB3 H 1 0.837 0.006 . 2 . . . . . 499 E HB3 . 51624 1 556 . 1 . 1 51 51 GLU HG2 H 1 1.515 0.02 . 2 . . . . . 499 E HG2 . 51624 1 557 . 1 . 1 51 51 GLU HG3 H 1 1.738 0.02 . 2 . . . . . 499 E HG3 . 51624 1 558 . 1 . 1 51 51 GLU C C 13 174.041 0.036 . 1 . . . . . 499 E C . 51624 1 559 . 1 . 1 51 51 GLU CA C 13 55.035 0.101 . 1 . . . . . 499 E CA . 51624 1 560 . 1 . 1 51 51 GLU CB C 13 30.281 0.327 . 1 . . . . . 499 E CB . 51624 1 561 . 1 . 1 51 51 GLU N N 15 121.599 0.087 . 1 . . . . . 499 E N . 51624 1 562 . 1 . 1 52 52 ARG H H 1 9.003 0.01 . 1 . . . . . 500 R H . 51624 1 563 . 1 . 1 52 52 ARG HA H 1 5.566 0.02 . 1 . . . . . 500 R HA . 51624 1 564 . 1 . 1 52 52 ARG HB2 H 1 1.533 0.016 . 1 . . . . . 500 R QB . 51624 1 565 . 1 . 1 52 52 ARG HB3 H 1 1.533 0.016 . 1 . . . . . 500 R QB . 51624 1 566 . 1 . 1 52 52 ARG HG2 H 1 1.425 0.015 . 1 . . . . . 500 R QG . 51624 1 567 . 1 . 1 52 52 ARG HG3 H 1 1.425 0.015 . 1 . . . . . 500 R QG . 51624 1 568 . 1 . 1 52 52 ARG HD2 H 1 3.086 0.004 . 1 . . . . . 500 R QD . 51624 1 569 . 1 . 1 52 52 ARG HD3 H 1 3.086 0.004 . 1 . . . . . 500 R QD . 51624 1 570 . 1 . 1 52 52 ARG HE H 1 7.602 0.002 . 1 . . . . . 500 R HE . 51624 1 571 . 1 . 1 52 52 ARG C C 13 173.575 0.013 . 1 . . . . . 500 R C . 51624 1 572 . 1 . 1 52 52 ARG CA C 13 54.975 0.117 . 1 . . . . . 500 R CA . 51624 1 573 . 1 . 1 52 52 ARG N N 15 123.834 0.084 . 1 . . . . . 500 R N . 51624 1 574 . 1 . 1 52 52 ARG NE N 15 85.484 0.159 . 1 . . . . . 500 R NE . 51624 1 575 . 1 . 1 53 53 GLN H H 1 9.478 0.012 . 1 . . . . . 501 Q H . 51624 1 576 . 1 . 1 53 53 GLN HA H 1 5.112 0.015 . 1 . . . . . 501 Q HA . 51624 1 577 . 1 . 1 53 53 GLN HB2 H 1 1.598 0.02 . 1 . . . . . 501 Q QB . 51624 1 578 . 1 . 1 53 53 GLN HB3 H 1 1.598 0.02 . 1 . . . . . 501 Q QB . 51624 1 579 . 1 . 1 53 53 GLN HG2 H 1 1.965 0.008 . 2 . . . . . 501 Q HG2 . 51624 1 580 . 1 . 1 53 53 GLN HG3 H 1 2.093 0.017 . 2 . . . . . 501 Q HG3 . 51624 1 581 . 1 . 1 53 53 GLN C C 13 174.534 0.021 . 1 . . . . . 501 Q C . 51624 1 582 . 1 . 1 53 53 GLN CA C 13 53.996 0.303 . 1 . . . . . 501 Q CA . 51624 1 583 . 1 . 1 53 53 GLN CB C 13 30.764 0.058 . 1 . . . . . 501 Q CB . 51624 1 584 . 1 . 1 53 53 GLN N N 15 125.12 0.074 . 1 . . . . . 501 Q N . 51624 1 585 . 1 . 1 54 54 ARG H H 1 8.088 0.007 . 1 . . . . . 502 R H . 51624 1 586 . 1 . 1 54 54 ARG HA H 1 5.122 0.018 . 1 . . . . . 502 R HA . 51624 1 587 . 1 . 1 54 54 ARG HB2 H 1 1.889 0.004 . 1 . . . . . 502 R QB . 51624 1 588 . 1 . 1 54 54 ARG HB3 H 1 1.889 0.004 . 1 . . . . . 502 R QB . 51624 1 589 . 1 . 1 54 54 ARG HG2 H 1 1.465 0.02 . 1 . . . . . 502 R QG . 51624 1 590 . 1 . 1 54 54 ARG HG3 H 1 1.465 0.02 . 1 . . . . . 502 R QG . 51624 1 591 . 1 . 1 54 54 ARG C C 13 175.829 0.016 . 1 . . . . . 502 R C . 51624 1 592 . 1 . 1 54 54 ARG CA C 13 54.648 0.066 . 1 . . . . . 502 R CA . 51624 1 593 . 1 . 1 54 54 ARG CB C 13 31.387 0.2 . 1 . . . . . 502 R CB . 51624 1 594 . 1 . 1 54 54 ARG N N 15 123.204 0.112 . 1 . . . . . 502 R N . 51624 1 595 . 1 . 1 55 55 ILE H H 1 9.642 0.008 . 1 . . . . . 503 I H . 51624 1 596 . 1 . 1 55 55 ILE HA H 1 4.69 0.016 . 1 . . . . . 503 I HA . 51624 1 597 . 1 . 1 55 55 ILE HB H 1 1.809 0.01 . 1 . . . . . 503 I HB . 51624 1 598 . 1 . 1 55 55 ILE HG12 H 1 1.147 0.005 . 2 . . . . . 503 I HG12 . 51624 1 599 . 1 . 1 55 55 ILE HG13 H 1 1.363 0.003 . 2 . . . . . 503 I HG13 . 51624 1 600 . 1 . 1 55 55 ILE HG21 H 1 1 0.013 . 1 . . . . . 503 I MG . 51624 1 601 . 1 . 1 55 55 ILE HG22 H 1 1 0.013 . 1 . . . . . 503 I MG . 51624 1 602 . 1 . 1 55 55 ILE HG23 H 1 1 0.013 . 1 . . . . . 503 I MG . 51624 1 603 . 1 . 1 55 55 ILE HD11 H 1 0.743 0.007 . 1 . . . . . 503 I MD . 51624 1 604 . 1 . 1 55 55 ILE HD12 H 1 0.743 0.007 . 1 . . . . . 503 I MD . 51624 1 605 . 1 . 1 55 55 ILE HD13 H 1 0.743 0.007 . 1 . . . . . 503 I MD . 51624 1 606 . 1 . 1 55 55 ILE CA C 13 58.172 0.113 . 1 . . . . . 503 I CA . 51624 1 607 . 1 . 1 55 55 ILE CB C 13 41.614 0.206 . 1 . . . . . 503 I CB . 51624 1 608 . 1 . 1 55 55 ILE CG1 C 13 27.642 0.131 . 1 . . . . . 503 I CG1 . 51624 1 609 . 1 . 1 55 55 ILE CG2 C 13 16.95 0.187 . 1 . . . . . 503 I CG2 . 51624 1 610 . 1 . 1 55 55 ILE CD1 C 13 14.148 0.096 . 1 . . . . . 503 I CD1 . 51624 1 611 . 1 . 1 55 55 ILE N N 15 126.317 0.073 . 1 . . . . . 503 I N . 51624 1 612 . 1 . 1 56 56 PRO HA H 1 4.58 0.016 . 1 . . . . . 504 P HA . 51624 1 613 . 1 . 1 56 56 PRO HB2 H 1 2.434 0.013 . 2 . . . . . 504 P HB2 . 51624 1 614 . 1 . 1 56 56 PRO HB3 H 1 2.051 0.025 . 2 . . . . . 504 P HB3 . 51624 1 615 . 1 . 1 56 56 PRO HG2 H 1 2.252 0.007 . 2 . . . . . 504 P HG2 . 51624 1 616 . 1 . 1 56 56 PRO HG3 H 1 2.026 0.019 . 2 . . . . . 504 P HG3 . 51624 1 617 . 1 . 1 56 56 PRO HD2 H 1 3.881 0.02 . 1 . . . . . 504 P HD2 . 51624 1 618 . 1 . 1 56 56 PRO C C 13 175.922 0.024 . 1 . . . . . 504 P C . 51624 1 619 . 1 . 1 56 56 PRO CA C 13 63.927 0.167 . 1 . . . . . 504 P CA . 51624 1 620 . 1 . 1 56 56 PRO CB C 13 31.624 0.19 . 1 . . . . . 504 P CB . 51624 1 621 . 1 . 1 56 56 PRO CG C 13 27.418 0.117 . 1 . . . . . 504 P CG . 51624 1 622 . 1 . 1 56 56 PRO CD C 13 51.163 0.311 . 1 . . . . . 504 P CD . 51624 1 623 . 1 . 1 57 57 TYR H H 1 8.282 0.007 . 1 . . . . . 505 Y H . 51624 1 624 . 1 . 1 57 57 TYR HA H 1 4.623 0.018 . 1 . . . . . 505 Y HA . 51624 1 625 . 1 . 1 57 57 TYR HB2 H 1 2.544 0.011 . 2 . . . . . 505 Y HB2 . 51624 1 626 . 1 . 1 57 57 TYR HB3 H 1 2.83 0.015 . 2 . . . . . 505 Y HB3 . 51624 1 627 . 1 . 1 57 57 TYR HD1 H 1 6.999 0.007 . 1 . . . . . 505 Y QD . 51624 1 628 . 1 . 1 57 57 TYR HD2 H 1 6.999 0.007 . 1 . . . . . 505 Y QD . 51624 1 629 . 1 . 1 57 57 TYR HE1 H 1 6.631 0.007 . 1 . . . . . 505 Y QE . 51624 1 630 . 1 . 1 57 57 TYR HE2 H 1 6.631 0.007 . 1 . . . . . 505 Y QE . 51624 1 631 . 1 . 1 57 57 TYR C C 13 174.172 0.017 . 1 . . . . . 505 Y C . 51624 1 632 . 1 . 1 57 57 TYR CA C 13 59.077 0.158 . 1 . . . . . 505 Y CA . 51624 1 633 . 1 . 1 57 57 TYR CB C 13 41.943 0.153 . 1 . . . . . 505 Y CB . 51624 1 634 . 1 . 1 57 57 TYR CE1 C 13 118.269 0.2 . 1 . . . . . 505 Y CE1 . 51624 1 635 . 1 . 1 57 57 TYR CE2 C 13 118.269 0.2 . 1 . . . . . 505 Y CE2 . 51624 1 636 . 1 . 1 57 57 TYR N N 15 123.836 0.112 . 1 . . . . . 505 Y N . 51624 1 637 . 1 . 1 58 58 ASN H H 1 8.41 0.006 . 1 . . . . . 506 N H . 51624 1 638 . 1 . 1 58 58 ASN HA H 1 4.894 0.014 . 1 . . . . . 506 N HA . 51624 1 639 . 1 . 1 58 58 ASN HB2 H 1 2.795 0.015 . 2 . . . . . 506 N HB2 . 51624 1 640 . 1 . 1 58 58 ASN HB3 H 1 2.582 0.006 . 2 . . . . . 506 N HB3 . 51624 1 641 . 1 . 1 58 58 ASN HD21 H 1 7.581 0.009 . 2 . . . . . 506 N HD21 . 51624 1 642 . 1 . 1 58 58 ASN HD22 H 1 6.797 0.005 . 2 . . . . . 506 N HD22 . 51624 1 643 . 1 . 1 58 58 ASN C C 13 174.978 0.001 . 1 . . . . . 506 N C . 51624 1 644 . 1 . 1 58 58 ASN CA C 13 52.392 0.117 . 1 . . . . . 506 N CA . 51624 1 645 . 1 . 1 58 58 ASN CB C 13 39.219 0.133 . 1 . . . . . 506 N CB . 51624 1 646 . 1 . 1 58 58 ASN N N 15 124.061 0.141 . 1 . . . . . 506 N N . 51624 1 647 . 1 . 1 58 58 ASN ND2 N 15 112.156 0.113 . 1 . . . . . 506 N ND2 . 51624 1 648 . 1 . 1 59 59 SER H H 1 5.793 0.007 . 1 . . . . . 507 S H . 51624 1 649 . 1 . 1 59 59 SER HA H 1 4.683 0.017 . 1 . . . . . 507 S HA . 51624 1 650 . 1 . 1 59 59 SER HB2 H 1 3.483 0.012 . 2 . . . . . 507 S HB2 . 51624 1 651 . 1 . 1 59 59 SER HB3 H 1 3.734 0.016 . 2 . . . . . 507 S HB3 . 51624 1 652 . 1 . 1 59 59 SER C C 13 173.647 0.026 . 1 . . . . . 507 S C . 51624 1 653 . 1 . 1 59 59 SER CA C 13 55.623 0.179 . 1 . . . . . 507 S CA . 51624 1 654 . 1 . 1 59 59 SER CB C 13 62.819 0.137 . 1 . . . . . 507 S CB . 51624 1 655 . 1 . 1 59 59 SER N N 15 113.211 0.114 . 1 . . . . . 507 S N . 51624 1 656 . 1 . 1 60 60 THR H H 1 8.148 0.006 . 1 . . . . . 508 T H . 51624 1 657 . 1 . 1 60 60 THR HA H 1 4.736 0.003 . 1 . . . . . 508 T HA . 51624 1 658 . 1 . 1 60 60 THR HB H 1 4.68 0.02 . 1 . . . . . 508 T HB . 51624 1 659 . 1 . 1 60 60 THR HG21 H 1 1.311 0.018 . 1 . . . . . 508 T MG . 51624 1 660 . 1 . 1 60 60 THR HG22 H 1 1.311 0.018 . 1 . . . . . 508 T MG . 51624 1 661 . 1 . 1 60 60 THR HG23 H 1 1.311 0.018 . 1 . . . . . 508 T MG . 51624 1 662 . 1 . 1 60 60 THR C C 13 175.881 0.2 . 1 . . . . . 508 T C . 51624 1 663 . 1 . 1 60 60 THR CA C 13 60.241 0.149 . 1 . . . . . 508 T CA . 51624 1 664 . 1 . 1 60 60 THR CB C 13 72.084 0.2 . 1 . . . . . 508 T CB . 51624 1 665 . 1 . 1 60 60 THR CG2 C 13 21.663 0.19 . 1 . . . . . 508 T CG2 . 51624 1 666 . 1 . 1 60 60 THR N N 15 109.213 0.07 . 1 . . . . . 508 T N . 51624 1 667 . 1 . 1 61 61 ALA H H 1 7.786 0.02 . 1 . . . . . 509 A H . 51624 1 668 . 1 . 1 61 61 ALA HA H 1 4.113 0.016 . 1 . . . . . 509 A HA . 51624 1 669 . 1 . 1 61 61 ALA HB1 H 1 1.597 0.006 . 1 . . . . . 509 A MB . 51624 1 670 . 1 . 1 61 61 ALA HB2 H 1 1.597 0.006 . 1 . . . . . 509 A MB . 51624 1 671 . 1 . 1 61 61 ALA HB3 H 1 1.597 0.006 . 1 . . . . . 509 A MB . 51624 1 672 . 1 . 1 61 61 ALA C C 13 179.997 0.2 . 1 . . . . . 509 A C . 51624 1 673 . 1 . 1 61 61 ALA CA C 13 55.008 0.346 . 1 . . . . . 509 A CA . 51624 1 674 . 1 . 1 61 61 ALA CB C 13 18.053 0.149 . 1 . . . . . 509 A CB . 51624 1 675 . 1 . 1 61 61 ALA N N 15 123.566 0.2 . 1 . . . . . 509 A N . 51624 1 676 . 1 . 1 62 62 VAL H H 1 7.708 0.009 . 1 . . . . . 510 V H . 51624 1 677 . 1 . 1 62 62 VAL HA H 1 3.8 0.018 . 1 . . . . . 510 V HA . 51624 1 678 . 1 . 1 62 62 VAL HB H 1 1.999 0.014 . 1 . . . . . 510 V HB . 51624 1 679 . 1 . 1 62 62 VAL HG11 H 1 0.968 0.015 . 1 . . . . . 510 V MG1 . 51624 1 680 . 1 . 1 62 62 VAL HG12 H 1 0.968 0.015 . 1 . . . . . 510 V MG1 . 51624 1 681 . 1 . 1 62 62 VAL HG13 H 1 0.968 0.015 . 1 . . . . . 510 V MG1 . 51624 1 682 . 1 . 1 62 62 VAL HG21 H 1 1.092 0.004 . 1 . . . . . 510 V MG2 . 51624 1 683 . 1 . 1 62 62 VAL HG22 H 1 1.092 0.004 . 1 . . . . . 510 V MG2 . 51624 1 684 . 1 . 1 62 62 VAL HG23 H 1 1.092 0.004 . 1 . . . . . 510 V MG2 . 51624 1 685 . 1 . 1 62 62 VAL C C 13 178.191 0.039 . 1 . . . . . 510 V C . 51624 1 686 . 1 . 1 62 62 VAL CA C 13 65.504 0.264 . 1 . . . . . 510 V CA . 51624 1 687 . 1 . 1 62 62 VAL CB C 13 31.822 0.164 . 1 . . . . . 510 V CB . 51624 1 688 . 1 . 1 62 62 VAL CG1 C 13 21.102 0.097 . 1 . . . . . 510 V CG1 . 51624 1 689 . 1 . 1 62 62 VAL CG2 C 13 22.121 0.162 . 1 . . . . . 510 V CG2 . 51624 1 690 . 1 . 1 62 62 VAL N N 15 116.831 0.129 . 1 . . . . . 510 V N . 51624 1 691 . 1 . 1 63 63 LEU H H 1 7.332 0.007 . 1 . . . . . 511 L H . 51624 1 692 . 1 . 1 63 63 LEU HA H 1 4.18 0.034 . 1 . . . . . 511 L HA . 51624 1 693 . 1 . 1 63 63 LEU HB2 H 1 1.745 0.008 . 1 . . . . . 511 L QB . 51624 1 694 . 1 . 1 63 63 LEU HB3 H 1 1.745 0.008 . 1 . . . . . 511 L QB . 51624 1 695 . 1 . 1 63 63 LEU HG H 1 1.651 0.018 . 1 . . . . . 511 L HG . 51624 1 696 . 1 . 1 63 63 LEU HD11 H 1 0.936 0.012 . 1 . . . . . 511 L MD1 . 51624 1 697 . 1 . 1 63 63 LEU HD12 H 1 0.936 0.012 . 1 . . . . . 511 L MD1 . 51624 1 698 . 1 . 1 63 63 LEU HD13 H 1 0.936 0.012 . 1 . . . . . 511 L MD1 . 51624 1 699 . 1 . 1 63 63 LEU HD21 H 1 0.896 0.004 . 1 . . . . . 511 L MD2 . 51624 1 700 . 1 . 1 63 63 LEU HD22 H 1 0.896 0.004 . 1 . . . . . 511 L MD2 . 51624 1 701 . 1 . 1 63 63 LEU HD23 H 1 0.896 0.004 . 1 . . . . . 511 L MD2 . 51624 1 702 . 1 . 1 63 63 LEU C C 13 178.696 0.032 . 1 . . . . . 511 L C . 51624 1 703 . 1 . 1 63 63 LEU CA C 13 57.644 0.186 . 1 . . . . . 511 L CA . 51624 1 704 . 1 . 1 63 63 LEU CB C 13 40.403 0.284 . 1 . . . . . 511 L CB . 51624 1 705 . 1 . 1 63 63 LEU CG C 13 27 0.2 . 1 . . . . . 511 L CG . 51624 1 706 . 1 . 1 63 63 LEU CD1 C 13 24.636 0.14 . 1 . . . . . 511 L CD1 . 51624 1 707 . 1 . 1 63 63 LEU CD2 C 13 23.44 0.081 . 1 . . . . . 511 L CD2 . 51624 1 708 . 1 . 1 63 63 LEU N N 15 122.839 0.078 . 1 . . . . . 511 L N . 51624 1 709 . 1 . 1 64 64 LEU H H 1 7.947 0.007 . 1 . . . . . 512 L H . 51624 1 710 . 1 . 1 64 64 LEU HA H 1 3.956 0.015 . 1 . . . . . 512 L HA . 51624 1 711 . 1 . 1 64 64 LEU HB2 H 1 1.832 0.027 . 2 . . . . . 512 L HB2 . 51624 1 712 . 1 . 1 64 64 LEU HB3 H 1 1.535 0.019 . 2 . . . . . 512 L HB3 . 51624 1 713 . 1 . 1 64 64 LEU HG H 1 1.199 0.023 . 1 . . . . . 512 L HG . 51624 1 714 . 1 . 1 64 64 LEU HD11 H 1 0.395 0.009 . 1 . . . . . 512 L MD1 . 51624 1 715 . 1 . 1 64 64 LEU HD12 H 1 0.395 0.009 . 1 . . . . . 512 L MD1 . 51624 1 716 . 1 . 1 64 64 LEU HD13 H 1 0.395 0.009 . 1 . . . . . 512 L MD1 . 51624 1 717 . 1 . 1 64 64 LEU HD21 H 1 0.611 0.005 . 1 . . . . . 512 L MD2 . 51624 1 718 . 1 . 1 64 64 LEU HD22 H 1 0.611 0.005 . 1 . . . . . 512 L MD2 . 51624 1 719 . 1 . 1 64 64 LEU HD23 H 1 0.611 0.005 . 1 . . . . . 512 L MD2 . 51624 1 720 . 1 . 1 64 64 LEU C C 13 177.683 0.012 . 1 . . . . . 512 L C . 51624 1 721 . 1 . 1 64 64 LEU CA C 13 57.902 0.088 . 1 . . . . . 512 L CA . 51624 1 722 . 1 . 1 64 64 LEU CB C 13 41.214 0.025 . 1 . . . . . 512 L CB . 51624 1 723 . 1 . 1 64 64 LEU CG C 13 27 0 . 1 . . . . . 512 L CG . 51624 1 724 . 1 . 1 64 64 LEU CD1 C 13 22.342 0.036 . 1 . . . . . 512 L CD1 . 51624 1 725 . 1 . 1 64 64 LEU CD2 C 13 26.816 0.205 . 1 . . . . . 512 L CD2 . 51624 1 726 . 1 . 1 64 64 LEU N N 15 121.874 0.197 . 1 . . . . . 512 L N . 51624 1 727 . 1 . 1 65 65 LYS H H 1 7.828 0.006 . 1 . . . . . 513 K H . 51624 1 728 . 1 . 1 65 65 LYS HA H 1 3.223 0.027 . 1 . . . . . 513 K HA . 51624 1 729 . 1 . 1 65 65 LYS HB2 H 1 1.917 0.014 . 1 . . . . . 513 K QB . 51624 1 730 . 1 . 1 65 65 LYS HB3 H 1 1.917 0.014 . 1 . . . . . 513 K QB . 51624 1 731 . 1 . 1 65 65 LYS HG2 H 1 1.74 0.01 . 1 . . . . . 513 K QG . 51624 1 732 . 1 . 1 65 65 LYS HG3 H 1 1.74 0.01 . 1 . . . . . 513 K QG . 51624 1 733 . 1 . 1 65 65 LYS C C 13 177.006 0.2 . 1 . . . . . 513 K C . 51624 1 734 . 1 . 1 65 65 LYS CA C 13 60.167 0.146 . 1 . . . . . 513 K CA . 51624 1 735 . 1 . 1 65 65 LYS CB C 13 32.069 0.042 . 1 . . . . . 513 K CB . 51624 1 736 . 1 . 1 65 65 LYS N N 15 116.011 0.099 . 1 . . . . . 513 K N . 51624 1 737 . 1 . 1 66 66 GLN H H 1 7.379 0.016 . 1 . . . . . 514 Q H . 51624 1 738 . 1 . 1 66 66 GLN HA H 1 3.794 0.011 . 1 . . . . . 514 Q HA . 51624 1 739 . 1 . 1 66 66 GLN HB2 H 1 2.182 0.011 . 1 . . . . . 514 Q QB . 51624 1 740 . 1 . 1 66 66 GLN HB3 H 1 2.182 0.011 . 1 . . . . . 514 Q QB . 51624 1 741 . 1 . 1 66 66 GLN HG2 H 1 2.316 0.01 . 2 . . . . . 514 Q HG2 . 51624 1 742 . 1 . 1 66 66 GLN HG3 H 1 2.427 0.003 . 2 . . . . . 514 Q HG3 . 51624 1 743 . 1 . 1 66 66 GLN HE21 H 1 7.678 0.008 . 2 . . . . . 514 Q HE21 . 51624 1 744 . 1 . 1 66 66 GLN HE22 H 1 6.759 0.004 . 2 . . . . . 514 Q HE22 . 51624 1 745 . 1 . 1 66 66 GLN C C 13 177.943 0.2 . 1 . . . . . 514 Q C . 51624 1 746 . 1 . 1 66 66 GLN CA C 13 58.922 0.077 . 1 . . . . . 514 Q CA . 51624 1 747 . 1 . 1 66 66 GLN CB C 13 28.283 0.283 . 1 . . . . . 514 Q CB . 51624 1 748 . 1 . 1 66 66 GLN CG C 13 33.467 0.169 . 1 . . . . . 514 Q CG . 51624 1 749 . 1 . 1 66 66 GLN N N 15 115.939 0.062 . 1 . . . . . 514 Q N . 51624 1 750 . 1 . 1 66 66 GLN NE2 N 15 114.139 0.312 . 1 . . . . . 514 Q NE2 . 51624 1 751 . 1 . 1 67 67 VAL H H 1 7.98 0.006 . 1 . . . . . 515 V H . 51624 1 752 . 1 . 1 67 67 VAL HA H 1 3.81 0.03 . 1 . . . . . 515 V HA . 51624 1 753 . 1 . 1 67 67 VAL HB H 1 2.209 0.014 . 1 . . . . . 515 V HB . 51624 1 754 . 1 . 1 67 67 VAL HG11 H 1 0.92 0.008 . 1 . . . . . 515 V MG1 . 51624 1 755 . 1 . 1 67 67 VAL HG12 H 1 0.92 0.008 . 1 . . . . . 515 V MG1 . 51624 1 756 . 1 . 1 67 67 VAL HG13 H 1 0.92 0.008 . 1 . . . . . 515 V MG1 . 51624 1 757 . 1 . 1 67 67 VAL HG21 H 1 1.105 0.015 . 1 . . . . . 515 V MG2 . 51624 1 758 . 1 . 1 67 67 VAL HG22 H 1 1.105 0.015 . 1 . . . . . 515 V MG2 . 51624 1 759 . 1 . 1 67 67 VAL HG23 H 1 1.105 0.015 . 1 . . . . . 515 V MG2 . 51624 1 760 . 1 . 1 67 67 VAL C C 13 179.061 0.014 . 1 . . . . . 515 V C . 51624 1 761 . 1 . 1 67 67 VAL CA C 13 65.652 0.126 . 1 . . . . . 515 V CA . 51624 1 762 . 1 . 1 67 67 VAL CB C 13 31.857 0.016 . 1 . . . . . 515 V CB . 51624 1 763 . 1 . 1 67 67 VAL CG1 C 13 20.834 0.3 . 1 . . . . . 515 V CG1 . 51624 1 764 . 1 . 1 67 67 VAL CG2 C 13 22.262 0.186 . 1 . . . . . 515 V CG2 . 51624 1 765 . 1 . 1 67 67 VAL N N 15 117.803 0.086 . 1 . . . . . 515 V N . 51624 1 766 . 1 . 1 68 68 LEU H H 1 7.795 0.01 . 1 . . . . . 516 L H . 51624 1 767 . 1 . 1 68 68 LEU HA H 1 4.126 0.02 . 1 . . . . . 516 L HA . 51624 1 768 . 1 . 1 68 68 LEU HB2 H 1 1.718 0.015 . 1 . . . . . 516 L QB . 51624 1 769 . 1 . 1 68 68 LEU HB3 H 1 1.718 0.015 . 1 . . . . . 516 L QB . 51624 1 770 . 1 . 1 68 68 LEU HG H 1 1.091 0.014 . 1 . . . . . 516 L HG . 51624 1 771 . 1 . 1 68 68 LEU HD11 H 1 0.195 0.013 . 1 . . . . . 516 L MD1 . 51624 1 772 . 1 . 1 68 68 LEU HD12 H 1 0.195 0.013 . 1 . . . . . 516 L MD1 . 51624 1 773 . 1 . 1 68 68 LEU HD13 H 1 0.195 0.013 . 1 . . . . . 516 L MD1 . 51624 1 774 . 1 . 1 68 68 LEU HD21 H 1 0.653 0.005 . 1 . . . . . 516 L MD2 . 51624 1 775 . 1 . 1 68 68 LEU HD22 H 1 0.653 0.005 . 1 . . . . . 516 L MD2 . 51624 1 776 . 1 . 1 68 68 LEU HD23 H 1 0.653 0.005 . 1 . . . . . 516 L MD2 . 51624 1 777 . 1 . 1 68 68 LEU C C 13 178.51 0.026 . 1 . . . . . 516 L C . 51624 1 778 . 1 . 1 68 68 LEU CA C 13 57.771 0.157 . 1 . . . . . 516 L CA . 51624 1 779 . 1 . 1 68 68 LEU CB C 13 41.393 0.142 . 1 . . . . . 516 L CB . 51624 1 780 . 1 . 1 68 68 LEU CD1 C 13 26.201 0.13 . 1 . . . . . 516 L CD1 . 51624 1 781 . 1 . 1 68 68 LEU CD2 C 13 21.908 0.172 . 1 . . . . . 516 L CD2 . 51624 1 782 . 1 . 1 68 68 LEU N N 15 119.371 0.094 . 1 . . . . . 516 L N . 51624 1 783 . 1 . 1 69 69 VAL H H 1 8.803 0.005 . 1 . . . . . 517 V H . 51624 1 784 . 1 . 1 69 69 VAL HA H 1 3.723 0.019 . 1 . . . . . 517 V HA . 51624 1 785 . 1 . 1 69 69 VAL HB H 1 2.034 0.006 . 1 . . . . . 517 V HB . 51624 1 786 . 1 . 1 69 69 VAL HG11 H 1 0.905 0.016 . 1 . . . . . 517 V MG1 . 51624 1 787 . 1 . 1 69 69 VAL HG12 H 1 0.905 0.016 . 1 . . . . . 517 V MG1 . 51624 1 788 . 1 . 1 69 69 VAL HG13 H 1 0.905 0.016 . 1 . . . . . 517 V MG1 . 51624 1 789 . 1 . 1 69 69 VAL HG21 H 1 0.961 0.005 . 1 . . . . . 517 V MG2 . 51624 1 790 . 1 . 1 69 69 VAL HG22 H 1 0.961 0.005 . 1 . . . . . 517 V MG2 . 51624 1 791 . 1 . 1 69 69 VAL HG23 H 1 0.961 0.005 . 1 . . . . . 517 V MG2 . 51624 1 792 . 1 . 1 69 69 VAL C C 13 178.919 0.046 . 1 . . . . . 517 V C . 51624 1 793 . 1 . 1 69 69 VAL CA C 13 65.306 0.137 . 1 . . . . . 517 V CA . 51624 1 794 . 1 . 1 69 69 VAL CB C 13 31.331 0.355 . 1 . . . . . 517 V CB . 51624 1 795 . 1 . 1 69 69 VAL CG1 C 13 21.02 0.073 . 1 . . . . . 517 V CG1 . 51624 1 796 . 1 . 1 69 69 VAL CG2 C 13 23.686 0.075 . 1 . . . . . 517 V CG2 . 51624 1 797 . 1 . 1 69 69 VAL N N 15 119.803 0.139 . 1 . . . . . 517 V N . 51624 1 798 . 1 . 1 70 70 ASP H H 1 7.858 0.005 . 1 . . . . . 518 D H . 51624 1 799 . 1 . 1 70 70 ASP HA H 1 4.364 0.012 . 1 . . . . . 518 D HA . 51624 1 800 . 1 . 1 70 70 ASP HB2 H 1 2.734 0.046 . 2 . . . . . 518 D HB2 . 51624 1 801 . 1 . 1 70 70 ASP HB3 H 1 2.555 0.03 . 2 . . . . . 518 D HB3 . 51624 1 802 . 1 . 1 70 70 ASP C C 13 178.146 0.2 . 1 . . . . . 518 D C . 51624 1 803 . 1 . 1 70 70 ASP CA C 13 56.345 0.101 . 1 . . . . . 518 D CA . 51624 1 804 . 1 . 1 70 70 ASP CB C 13 40.641 0.077 . 1 . . . . . 518 D CB . 51624 1 805 . 1 . 1 70 70 ASP N N 15 118.086 0.159 . 1 . . . . . 518 D N . 51624 1 806 . 1 . 1 71 71 GLY H H 1 7.733 0.008 . 1 . . . . . 519 G H . 51624 1 807 . 1 . 1 71 71 GLY HA2 H 1 3.127 0.009 . 2 . . . . . 519 G HA2 . 51624 1 808 . 1 . 1 71 71 GLY HA3 H 1 3.759 0.007 . 2 . . . . . 519 G HA3 . 51624 1 809 . 1 . 1 71 71 GLY C C 13 173.306 0.013 . 1 . . . . . 519 G C . 51624 1 810 . 1 . 1 71 71 GLY CA C 13 45.92 0.203 . 1 . . . . . 519 G CA . 51624 1 811 . 1 . 1 71 71 GLY N N 15 105.274 0.072 . 1 . . . . . 519 G N . 51624 1 812 . 1 . 1 72 72 PHE H H 1 8.073 0.01 . 1 . . . . . 520 F H . 51624 1 813 . 1 . 1 72 72 PHE HA H 1 4.764 0.011 . 1 . . . . . 520 F HA . 51624 1 814 . 1 . 1 72 72 PHE HB2 H 1 2.847 0.022 . 2 . . . . . 520 F HB2 . 51624 1 815 . 1 . 1 72 72 PHE HB3 H 1 2.666 0.024 . 2 . . . . . 520 F HB3 . 51624 1 816 . 1 . 1 72 72 PHE HD1 H 1 7.305 0.012 . 3 . . . . . 520 F HD1 . 51624 1 817 . 1 . 1 72 72 PHE HE1 H 1 7.105 0.008 . 3 . . . . . 520 F HE1 . 51624 1 818 . 1 . 1 72 72 PHE HZ H 1 6.806 0.008 . 1 . . . . . 520 F HZ . 51624 1 819 . 1 . 1 72 72 PHE C C 13 175.342 0.024 . 1 . . . . . 520 F C . 51624 1 820 . 1 . 1 72 72 PHE CA C 13 57.682 0.104 . 1 . . . . . 520 F CA . 51624 1 821 . 1 . 1 72 72 PHE CB C 13 40.27 0.26 . 1 . . . . . 520 F CB . 51624 1 822 . 1 . 1 72 72 PHE N N 15 118.443 0.14 . 1 . . . . . 520 F N . 51624 1 823 . 1 . 1 73 73 GLU H H 1 8.815 0.004 . 1 . . . . . 521 E H . 51624 1 824 . 1 . 1 73 73 GLU HA H 1 4.172 0.012 . 1 . . . . . 521 E HA . 51624 1 825 . 1 . 1 73 73 GLU HB2 H 1 2.06 0.02 . 1 . . . . . 521 E QB . 51624 1 826 . 1 . 1 73 73 GLU HB3 H 1 2.06 0.02 . 1 . . . . . 521 E QB . 51624 1 827 . 1 . 1 73 73 GLU HG2 H 1 2.302 0.025 . 1 . . . . . 521 E QG . 51624 1 828 . 1 . 1 73 73 GLU HG3 H 1 2.302 0.025 . 1 . . . . . 521 E QG . 51624 1 829 . 1 . 1 73 73 GLU C C 13 177.591 0.01 . 1 . . . . . 521 E C . 51624 1 830 . 1 . 1 73 73 GLU CA C 13 58.949 0.269 . 1 . . . . . 521 E CA . 51624 1 831 . 1 . 1 73 73 GLU CB C 13 29.626 0.157 . 1 . . . . . 521 E CB . 51624 1 832 . 1 . 1 73 73 GLU CG C 13 36.513 0.2 . 1 . . . . . 521 E CG . 51624 1 833 . 1 . 1 73 73 GLU N N 15 125.301 0.113 . 1 . . . . . 521 E N . 51624 1 834 . 1 . 1 74 74 GLU H H 1 9.459 0.009 . 1 . . . . . 522 E H . 51624 1 835 . 1 . 1 74 74 GLU HA H 1 4.449 0.019 . 1 . . . . . 522 E HA . 51624 1 836 . 1 . 1 74 74 GLU HB2 H 1 2.12 0.016 . 1 . . . . . 522 E QB . 51624 1 837 . 1 . 1 74 74 GLU HB3 H 1 2.12 0.016 . 1 . . . . . 522 E QB . 51624 1 838 . 1 . 1 74 74 GLU HG2 H 1 2.294 0.007 . 1 . . . . . 522 E QG . 51624 1 839 . 1 . 1 74 74 GLU HG3 H 1 2.294 0.007 . 1 . . . . . 522 E QG . 51624 1 840 . 1 . 1 74 74 GLU C C 13 175.317 0.024 . 1 . . . . . 522 E C . 51624 1 841 . 1 . 1 74 74 GLU CA C 13 56.025 0.161 . 1 . . . . . 522 E CA . 51624 1 842 . 1 . 1 74 74 GLU CB C 13 28.726 0.29 . 1 . . . . . 522 E CB . 51624 1 843 . 1 . 1 74 74 GLU CG C 13 36.972 0.006 . 1 . . . . . 522 E CG . 51624 1 844 . 1 . 1 74 74 GLU N N 15 117.207 0.061 . 1 . . . . . 522 E N . 51624 1 845 . 1 . 1 75 75 LEU H H 1 7.421 0.006 . 1 . . . . . 523 L H . 51624 1 846 . 1 . 1 75 75 LEU HA H 1 4.36 0.013 . 1 . . . . . 523 L HA . 51624 1 847 . 1 . 1 75 75 LEU HB2 H 1 1.729 0.016 . 2 . . . . . 523 L HB2 . 51624 1 848 . 1 . 1 75 75 LEU HB3 H 1 1.84 0.018 . 2 . . . . . 523 L HB3 . 51624 1 849 . 1 . 1 75 75 LEU HG H 1 1.549 0.013 . 1 . . . . . 523 L HG . 51624 1 850 . 1 . 1 75 75 LEU HD11 H 1 0.693 0.011 . 1 . . . . . 523 L MD1 . 51624 1 851 . 1 . 1 75 75 LEU HD12 H 1 0.693 0.011 . 1 . . . . . 523 L MD1 . 51624 1 852 . 1 . 1 75 75 LEU HD13 H 1 0.693 0.011 . 1 . . . . . 523 L MD1 . 51624 1 853 . 1 . 1 75 75 LEU HD21 H 1 0.68 0.012 . 1 . . . . . 523 L MD2 . 51624 1 854 . 1 . 1 75 75 LEU HD22 H 1 0.68 0.012 . 1 . . . . . 523 L MD2 . 51624 1 855 . 1 . 1 75 75 LEU HD23 H 1 0.68 0.012 . 1 . . . . . 523 L MD2 . 51624 1 856 . 1 . 1 75 75 LEU C C 13 176.143 0.019 . 1 . . . . . 523 L C . 51624 1 857 . 1 . 1 75 75 LEU CA C 13 56.245 0.066 . 1 . . . . . 523 L CA . 51624 1 858 . 1 . 1 75 75 LEU CB C 13 42.808 0.211 . 1 . . . . . 523 L CB . 51624 1 859 . 1 . 1 75 75 LEU CG C 13 27 0.2 . 1 . . . . . 523 L CG . 51624 1 860 . 1 . 1 75 75 LEU CD1 C 13 25.837 0.175 . 1 . . . . . 523 L CD1 . 51624 1 861 . 1 . 1 75 75 LEU CD2 C 13 26.095 0.021 . 1 . . . . . 523 L CD2 . 51624 1 862 . 1 . 1 75 75 LEU N N 15 123.769 0.065 . 1 . . . . . 523 L N . 51624 1 863 . 1 . 1 76 76 VAL H H 1 9.006 0.006 . 1 . . . . . 524 V H . 51624 1 864 . 1 . 1 76 76 VAL HA H 1 4.49 0.008 . 1 . . . . . 524 V HA . 51624 1 865 . 1 . 1 76 76 VAL HB H 1 2.048 0.012 . 1 . . . . . 524 V HB . 51624 1 866 . 1 . 1 76 76 VAL HG11 H 1 0.985 0.015 . 1 . . . . . 524 V MG1 . 51624 1 867 . 1 . 1 76 76 VAL HG12 H 1 0.985 0.015 . 1 . . . . . 524 V MG1 . 51624 1 868 . 1 . 1 76 76 VAL HG13 H 1 0.985 0.015 . 1 . . . . . 524 V MG1 . 51624 1 869 . 1 . 1 76 76 VAL HG21 H 1 0.947 0.023 . 1 . . . . . 524 V MG2 . 51624 1 870 . 1 . 1 76 76 VAL HG22 H 1 0.947 0.023 . 1 . . . . . 524 V MG2 . 51624 1 871 . 1 . 1 76 76 VAL HG23 H 1 0.947 0.023 . 1 . . . . . 524 V MG2 . 51624 1 872 . 1 . 1 76 76 VAL C C 13 175.252 0.043 . 1 . . . . . 524 V C . 51624 1 873 . 1 . 1 76 76 VAL CA C 13 61.133 0.099 . 1 . . . . . 524 V CA . 51624 1 874 . 1 . 1 76 76 VAL CB C 13 35.417 0.387 . 1 . . . . . 524 V CB . 51624 1 875 . 1 . 1 76 76 VAL CG1 C 13 20.673 0.345 . 1 . . . . . 524 V CG1 . 51624 1 876 . 1 . 1 76 76 VAL CG2 C 13 21.012 0.15 . 1 . . . . . 524 V CG2 . 51624 1 877 . 1 . 1 76 76 VAL N N 15 126.358 0.105 . 1 . . . . . 524 V N . 51624 1 878 . 1 . 1 77 77 GLU H H 1 8.907 0.01 . 1 . . . . . 525 E H . 51624 1 879 . 1 . 1 77 77 GLU HA H 1 4.658 0.02 . 1 . . . . . 525 E HA . 51624 1 880 . 1 . 1 77 77 GLU HB2 H 1 1.946 0.008 . 2 . . . . . 525 E HB2 . 51624 1 881 . 1 . 1 77 77 GLU HB3 H 1 2.058 0.016 . 2 . . . . . 525 E HB3 . 51624 1 882 . 1 . 1 77 77 GLU HG2 H 1 2.224 0.012 . 1 . . . . . 525 E QG . 51624 1 883 . 1 . 1 77 77 GLU HG3 H 1 2.224 0.012 . 1 . . . . . 525 E QG . 51624 1 884 . 1 . 1 77 77 GLU C C 13 175.769 0.01 . 1 . . . . . 525 E C . 51624 1 885 . 1 . 1 77 77 GLU CA C 13 56.843 0.129 . 1 . . . . . 525 E CA . 51624 1 886 . 1 . 1 77 77 GLU CB C 13 30.293 0.185 . 1 . . . . . 525 E CB . 51624 1 887 . 1 . 1 77 77 GLU N N 15 126.844 0.116 . 1 . . . . . 525 E N . 51624 1 888 . 1 . 1 78 78 VAL H H 1 8.067 0.01 . 1 . . . . . 526 V H . 51624 1 889 . 1 . 1 78 78 VAL HA H 1 4.643 0.014 . 1 . . . . . 526 V HA . 51624 1 890 . 1 . 1 78 78 VAL HB H 1 2.326 0.018 . 1 . . . . . 526 V HB . 51624 1 891 . 1 . 1 78 78 VAL HG11 H 1 0.832 0.008 . 1 . . . . . 526 V MG1 . 51624 1 892 . 1 . 1 78 78 VAL HG12 H 1 0.832 0.008 . 1 . . . . . 526 V MG1 . 51624 1 893 . 1 . 1 78 78 VAL HG13 H 1 0.832 0.008 . 1 . . . . . 526 V MG1 . 51624 1 894 . 1 . 1 78 78 VAL HG21 H 1 0.566 0.011 . 1 . . . . . 526 V MG2 . 51624 1 895 . 1 . 1 78 78 VAL HG22 H 1 0.566 0.011 . 1 . . . . . 526 V MG2 . 51624 1 896 . 1 . 1 78 78 VAL HG23 H 1 0.566 0.011 . 1 . . . . . 526 V MG2 . 51624 1 897 . 1 . 1 78 78 VAL C C 13 175.718 0.009 . 1 . . . . . 526 V C . 51624 1 898 . 1 . 1 78 78 VAL CA C 13 59.536 0.173 . 1 . . . . . 526 V CA . 51624 1 899 . 1 . 1 78 78 VAL CB C 13 33.793 0.179 . 1 . . . . . 526 V CB . 51624 1 900 . 1 . 1 78 78 VAL CG1 C 13 22.486 0.045 . 1 . . . . . 526 V CG1 . 51624 1 901 . 1 . 1 78 78 VAL CG2 C 13 18.906 0.093 . 1 . . . . . 526 V CG2 . 51624 1 902 . 1 . 1 78 78 VAL N N 15 119.02 0.147 . 1 . . . . . 526 V N . 51624 1 903 . 1 . 1 79 79 GLU H H 1 8.647 0.007 . 1 . . . . . 527 E H . 51624 1 904 . 1 . 1 79 79 GLU HA H 1 3.877 0.017 . 1 . . . . . 527 E HA . 51624 1 905 . 1 . 1 79 79 GLU HB2 H 1 1.993 0.006 . 1 . . . . . 527 E QB . 51624 1 906 . 1 . 1 79 79 GLU HB3 H 1 1.993 0.006 . 1 . . . . . 527 E QB . 51624 1 907 . 1 . 1 79 79 GLU HG2 H 1 2.276 0.015 . 1 . . . . . 527 E QG . 51624 1 908 . 1 . 1 79 79 GLU HG3 H 1 2.276 0.015 . 1 . . . . . 527 E QG . 51624 1 909 . 1 . 1 79 79 GLU C C 13 177.367 0.058 . 1 . . . . . 527 E C . 51624 1 910 . 1 . 1 79 79 GLU CA C 13 59.769 0.229 . 1 . . . . . 527 E CA . 51624 1 911 . 1 . 1 79 79 GLU CB C 13 29.025 0.003 . 1 . . . . . 527 E CB . 51624 1 912 . 1 . 1 79 79 GLU CG C 13 36.225 0.101 . 1 . . . . . 527 E CG . 51624 1 913 . 1 . 1 79 79 GLU N N 15 121.347 0.1 . 1 . . . . . 527 E N . 51624 1 914 . 1 . 1 80 80 SER H H 1 7.849 0.008 . 1 . . . . . 528 S H . 51624 1 915 . 1 . 1 80 80 SER HA H 1 4.445 0.025 . 1 . . . . . 528 S HA . 51624 1 916 . 1 . 1 80 80 SER HB2 H 1 3.984 0.023 . 1 . . . . . 528 S QB . 51624 1 917 . 1 . 1 80 80 SER HB3 H 1 3.984 0.023 . 1 . . . . . 528 S QB . 51624 1 918 . 1 . 1 80 80 SER C C 13 174.259 0.025 . 1 . . . . . 528 S C . 51624 1 919 . 1 . 1 80 80 SER CA C 13 57.48 0.085 . 1 . . . . . 528 S CA . 51624 1 920 . 1 . 1 80 80 SER CB C 13 63.285 0.24 . 1 . . . . . 528 S CB . 51624 1 921 . 1 . 1 80 80 SER N N 15 110.397 0.139 . 1 . . . . . 528 S N . 51624 1 922 . 1 . 1 81 81 GLY H H 1 7.547 0.014 . 1 . . . . . 529 G H . 51624 1 923 . 1 . 1 81 81 GLY HA2 H 1 4.346 0.014 . 2 . . . . . 529 G HA2 . 51624 1 924 . 1 . 1 81 81 GLY HA3 H 1 3.36 0.016 . 2 . . . . . 529 G HA3 . 51624 1 925 . 1 . 1 81 81 GLY C C 13 171.864 0.014 . 1 . . . . . 529 G C . 51624 1 926 . 1 . 1 81 81 GLY CA C 13 45.717 0.188 . 1 . . . . . 529 G CA . 51624 1 927 . 1 . 1 81 81 GLY N N 15 111.133 0.125 . 1 . . . . . 529 G N . 51624 1 928 . 1 . 1 82 82 PHE H H 1 9.067 0.007 . 1 . . . . . 530 F H . 51624 1 929 . 1 . 1 82 82 PHE HA H 1 5.597 0.015 . 1 . . . . . 530 F HA . 51624 1 930 . 1 . 1 82 82 PHE HB2 H 1 3.157 0.011 . 2 . . . . . 530 F HB2 . 51624 1 931 . 1 . 1 82 82 PHE HB3 H 1 2.527 0.017 . 2 . . . . . 530 F HB3 . 51624 1 932 . 1 . 1 82 82 PHE HD1 H 1 6.907 0.009 . 1 . . . . . 530 F QD . 51624 1 933 . 1 . 1 82 82 PHE HD2 H 1 6.907 0.009 . 1 . . . . . 530 F QD . 51624 1 934 . 1 . 1 82 82 PHE HE1 H 1 7.176 0.016 . 1 . . . . . 530 F QE . 51624 1 935 . 1 . 1 82 82 PHE HE2 H 1 7.176 0.016 . 1 . . . . . 530 F QE . 51624 1 936 . 1 . 1 82 82 PHE HZ H 1 7.297 0.008 . 1 . . . . . 530 F HZ . 51624 1 937 . 1 . 1 82 82 PHE C C 13 174.45 0.015 . 1 . . . . . 530 F C . 51624 1 938 . 1 . 1 82 82 PHE CA C 13 55.323 0.212 . 1 . . . . . 530 F CA . 51624 1 939 . 1 . 1 82 82 PHE CB C 13 44.05 0.17 . 1 . . . . . 530 F CB . 51624 1 940 . 1 . 1 82 82 PHE N N 15 120.838 0.069 . 1 . . . . . 530 F N . 51624 1 941 . 1 . 1 83 83 MET H H 1 9.421 0.011 . 1 . . . . . 531 M H . 51624 1 942 . 1 . 1 83 83 MET HA H 1 5.58 0.007 . 1 . . . . . 531 M HA . 51624 1 943 . 1 . 1 83 83 MET HB2 H 1 2.028 0.01 . 2 . . . . . 531 M HB2 . 51624 1 944 . 1 . 1 83 83 MET HB3 H 1 1.778 0.008 . 2 . . . . . 531 M HB3 . 51624 1 945 . 1 . 1 83 83 MET HG2 H 1 2.452 0.009 . 2 . . . . . 531 M HG2 . 51624 1 946 . 1 . 1 83 83 MET HG3 H 1 2.257 0.011 . 2 . . . . . 531 M HG3 . 51624 1 947 . 1 . 1 83 83 MET HE1 H 1 1.947 0.003 . 1 . . . . . 531 M ME . 51624 1 948 . 1 . 1 83 83 MET HE2 H 1 1.947 0.003 . 1 . . . . . 531 M ME . 51624 1 949 . 1 . 1 83 83 MET HE3 H 1 1.947 0.003 . 1 . . . . . 531 M ME . 51624 1 950 . 1 . 1 83 83 MET C C 13 175.567 0.034 . 1 . . . . . 531 M C . 51624 1 951 . 1 . 1 83 83 MET CA C 13 54.315 0.154 . 1 . . . . . 531 M CA . 51624 1 952 . 1 . 1 83 83 MET CB C 13 35.276 0.308 . 1 . . . . . 531 M CB . 51624 1 953 . 1 . 1 83 83 MET CG C 13 31.929 0.145 . 1 . . . . . 531 M CG . 51624 1 954 . 1 . 1 83 83 MET CE C 13 15.505 0.115 . 1 . . . . . 531 M CE . 51624 1 955 . 1 . 1 83 83 MET N N 15 118.99 0.274 . 1 . . . . . 531 M N . 51624 1 956 . 1 . 1 84 84 VAL H H 1 8.312 0.008 . 1 . . . . . 532 V H . 51624 1 957 . 1 . 1 84 84 VAL HA H 1 3.886 0.011 . 1 . . . . . 532 V HA . 51624 1 958 . 1 . 1 84 84 VAL HB H 1 1.443 0.007 . 1 . . . . . 532 V HB . 51624 1 959 . 1 . 1 84 84 VAL HG11 H 1 0.264 0.012 . 1 . . . . . 532 V MG1 . 51624 1 960 . 1 . 1 84 84 VAL HG12 H 1 0.264 0.012 . 1 . . . . . 532 V MG1 . 51624 1 961 . 1 . 1 84 84 VAL HG13 H 1 0.264 0.012 . 1 . . . . . 532 V MG1 . 51624 1 962 . 1 . 1 84 84 VAL HG21 H 1 0.393 0.02 . 1 . . . . . 532 V MG2 . 51624 1 963 . 1 . 1 84 84 VAL HG22 H 1 0.393 0.02 . 1 . . . . . 532 V MG2 . 51624 1 964 . 1 . 1 84 84 VAL HG23 H 1 0.393 0.02 . 1 . . . . . 532 V MG2 . 51624 1 965 . 1 . 1 84 84 VAL C C 13 175.669 0.07 . 1 . . . . . 532 V C . 51624 1 966 . 1 . 1 84 84 VAL CA C 13 62.043 0.172 . 1 . . . . . 532 V CA . 51624 1 967 . 1 . 1 84 84 VAL CB C 13 33.336 0.143 . 1 . . . . . 532 V CB . 51624 1 968 . 1 . 1 84 84 VAL CG1 C 13 20.966 0.211 . 1 . . . . . 532 V CG1 . 51624 1 969 . 1 . 1 84 84 VAL CG2 C 13 21.508 0.128 . 1 . . . . . 532 V CG2 . 51624 1 970 . 1 . 1 84 84 VAL N N 15 122.548 0.2 . 1 . . . . . 532 V N . 51624 1 971 . 1 . 1 85 85 GLY H H 1 8.649 0.008 . 1 . . . . . 533 G H . 51624 1 972 . 1 . 1 85 85 GLY HA2 H 1 3.711 0.009 . 2 . . . . . 533 G HA2 . 51624 1 973 . 1 . 1 85 85 GLY HA3 H 1 3.509 0.005 . 2 . . . . . 533 G HA3 . 51624 1 974 . 1 . 1 85 85 GLY C C 13 174.885 0.2 . 1 . . . . . 533 G C . 51624 1 975 . 1 . 1 85 85 GLY CA C 13 47.304 0.111 . 1 . . . . . 533 G CA . 51624 1 976 . 1 . 1 85 85 GLY N N 15 115.645 0.095 . 1 . . . . . 533 G N . 51624 1 977 . 1 . 1 86 86 ASN H H 1 8.337 0.007 . 1 . . . . . 534 N H . 51624 1 978 . 1 . 1 86 86 ASN HA H 1 4.964 0.029 . 1 . . . . . 534 N HA . 51624 1 979 . 1 . 1 86 86 ASN HB2 H 1 3.089 0.013 . 2 . . . . . 534 N HB2 . 51624 1 980 . 1 . 1 86 86 ASN HB3 H 1 2.784 0.003 . 2 . . . . . 534 N HB3 . 51624 1 981 . 1 . 1 86 86 ASN HD21 H 1 8.777 0.003 . 2 . . . . . 534 N HD21 . 51624 1 982 . 1 . 1 86 86 ASN HD22 H 1 6.932 0.003 . 2 . . . . . 534 N HD22 . 51624 1 983 . 1 . 1 86 86 ASN C C 13 174.34 0.027 . 1 . . . . . 534 N C . 51624 1 984 . 1 . 1 86 86 ASN CA C 13 52.883 0.121 . 1 . . . . . 534 N CA . 51624 1 985 . 1 . 1 86 86 ASN CB C 13 38.361 0.147 . 1 . . . . . 534 N CB . 51624 1 986 . 1 . 1 86 86 ASN N N 15 123.483 0.154 . 1 . . . . . 534 N N . 51624 1 987 . 1 . 1 86 86 ASN ND2 N 15 117.99 0.064 . 1 . . . . . 534 N ND2 . 51624 1 988 . 1 . 1 87 87 VAL H H 1 8.526 0.01 . 1 . . . . . 535 V H . 51624 1 989 . 1 . 1 87 87 VAL HA H 1 4.274 0.012 . 1 . . . . . 535 V HA . 51624 1 990 . 1 . 1 87 87 VAL HB H 1 2.115 0.029 . 1 . . . . . 535 V HB . 51624 1 991 . 1 . 1 87 87 VAL HG11 H 1 0.558 0.015 . 1 . . . . . 535 V MG1 . 51624 1 992 . 1 . 1 87 87 VAL HG12 H 1 0.558 0.015 . 1 . . . . . 535 V MG1 . 51624 1 993 . 1 . 1 87 87 VAL HG13 H 1 0.558 0.015 . 1 . . . . . 535 V MG1 . 51624 1 994 . 1 . 1 87 87 VAL HG21 H 1 0.445 0.031 . 1 . . . . . 535 V MG2 . 51624 1 995 . 1 . 1 87 87 VAL HG22 H 1 0.445 0.031 . 1 . . . . . 535 V MG2 . 51624 1 996 . 1 . 1 87 87 VAL HG23 H 1 0.445 0.031 . 1 . . . . . 535 V MG2 . 51624 1 997 . 1 . 1 87 87 VAL C C 13 173.814 0.019 . 1 . . . . . 535 V C . 51624 1 998 . 1 . 1 87 87 VAL CA C 13 62.972 0.156 . 1 . . . . . 535 V CA . 51624 1 999 . 1 . 1 87 87 VAL CB C 13 31.557 0.214 . 1 . . . . . 535 V CB . 51624 1 1000 . 1 . 1 87 87 VAL CG1 C 13 21.552 0.103 . 1 . . . . . 535 V CG1 . 51624 1 1001 . 1 . 1 87 87 VAL CG2 C 13 20.779 0.177 . 1 . . . . . 535 V CG2 . 51624 1 1002 . 1 . 1 87 87 VAL N N 15 122.91 0.199 . 1 . . . . . 535 V N . 51624 1 1003 . 1 . 1 88 88 HIS H H 1 8.976 0.009 . 1 . . . . . 536 H H . 51624 1 1004 . 1 . 1 88 88 HIS HA H 1 5.431 0.013 . 1 . . . . . 536 H HA . 51624 1 1005 . 1 . 1 88 88 HIS HB2 H 1 3.448 0.009 . 2 . . . . . 536 H HB2 . 51624 1 1006 . 1 . 1 88 88 HIS HB3 H 1 3.191 0.009 . 2 . . . . . 536 H HB3 . 51624 1 1007 . 1 . 1 88 88 HIS HD2 H 1 7.083 0.021 . 1 . . . . . 536 H HD2 . 51624 1 1008 . 1 . 1 88 88 HIS HE1 H 1 7.932 0.012 . 1 . . . . . 536 H HE1 . 51624 1 1009 . 1 . 1 88 88 HIS C C 13 174.3 0.01 . 1 . . . . . 536 H C . 51624 1 1010 . 1 . 1 88 88 HIS CA C 13 55.033 0.122 . 1 . . . . . 536 H CA . 51624 1 1011 . 1 . 1 88 88 HIS CB C 13 31.73 0.147 . 1 . . . . . 536 H CB . 51624 1 1012 . 1 . 1 88 88 HIS CD2 C 13 120.583 0.2 . 1 . . . . . 536 H CD2 . 51624 1 1013 . 1 . 1 88 88 HIS CE1 C 13 137.25 0.2 . 1 . . . . . 536 H CE1 . 51624 1 1014 . 1 . 1 88 88 HIS N N 15 127.881 0.141 . 1 . . . . . 536 H N . 51624 1 1015 . 1 . 1 89 89 ILE H H 1 9.014 0.013 . 1 . . . . . 537 I H . 51624 1 1016 . 1 . 1 89 89 ILE HA H 1 4.773 0.034 . 1 . . . . . 537 I HA . 51624 1 1017 . 1 . 1 89 89 ILE HB H 1 1.651 0.012 . 1 . . . . . 537 I HB . 51624 1 1018 . 1 . 1 89 89 ILE HG12 H 1 1.485 0.009 . 1 . . . . . 537 I HG1# . 51624 1 1019 . 1 . 1 89 89 ILE HG13 H 1 1.485 0.009 . 1 . . . . . 537 I HG1# . 51624 1 1020 . 1 . 1 89 89 ILE HG21 H 1 0.626 0.003 . 1 . . . . . 537 I MG . 51624 1 1021 . 1 . 1 89 89 ILE HG22 H 1 0.626 0.003 . 1 . . . . . 537 I MG . 51624 1 1022 . 1 . 1 89 89 ILE HG23 H 1 0.626 0.003 . 1 . . . . . 537 I MG . 51624 1 1023 . 1 . 1 89 89 ILE HD11 H 1 0.616 0.005 . 1 . . . . . 537 I MD . 51624 1 1024 . 1 . 1 89 89 ILE HD12 H 1 0.616 0.005 . 1 . . . . . 537 I MD . 51624 1 1025 . 1 . 1 89 89 ILE HD13 H 1 0.616 0.005 . 1 . . . . . 537 I MD . 51624 1 1026 . 1 . 1 89 89 ILE C C 13 174.276 0.035 . 1 . . . . . 537 I C . 51624 1 1027 . 1 . 1 89 89 ILE CA C 13 60.962 0.114 . 1 . . . . . 537 I CA . 51624 1 1028 . 1 . 1 89 89 ILE CB C 13 41.183 0.082 . 1 . . . . . 537 I CB . 51624 1 1029 . 1 . 1 89 89 ILE CG1 C 13 27.492 0.085 . 1 . . . . . 537 I CG1 . 51624 1 1030 . 1 . 1 89 89 ILE CG2 C 13 18.071 0.277 . 1 . . . . . 537 I CG2 . 51624 1 1031 . 1 . 1 89 89 ILE CD1 C 13 16.421 0.148 . 1 . . . . . 537 I CD1 . 51624 1 1032 . 1 . 1 89 89 ILE N N 15 126.96 0.081 . 1 . . . . . 537 I N . 51624 1 1033 . 1 . 1 90 90 VAL H H 1 8.631 0.009 . 1 . . . . . 538 V H . 51624 1 1034 . 1 . 1 90 90 VAL HA H 1 4.436 0.012 . 1 . . . . . 538 V HA . 51624 1 1035 . 1 . 1 90 90 VAL HB H 1 1.892 0.015 . 1 . . . . . 538 V HB . 51624 1 1036 . 1 . 1 90 90 VAL HG11 H 1 0.787 0.008 . 1 . . . . . 538 V MG1 . 51624 1 1037 . 1 . 1 90 90 VAL HG12 H 1 0.787 0.008 . 1 . . . . . 538 V MG1 . 51624 1 1038 . 1 . 1 90 90 VAL HG13 H 1 0.787 0.008 . 1 . . . . . 538 V MG1 . 51624 1 1039 . 1 . 1 90 90 VAL HG21 H 1 0.668 0.013 . 1 . . . . . 538 V MG2 . 51624 1 1040 . 1 . 1 90 90 VAL HG22 H 1 0.668 0.013 . 1 . . . . . 538 V MG2 . 51624 1 1041 . 1 . 1 90 90 VAL HG23 H 1 0.668 0.013 . 1 . . . . . 538 V MG2 . 51624 1 1042 . 1 . 1 90 90 VAL C C 13 173.744 0.01 . 1 . . . . . 538 V C . 51624 1 1043 . 1 . 1 90 90 VAL CA C 13 60.38 0.123 . 1 . . . . . 538 V CA . 51624 1 1044 . 1 . 1 90 90 VAL CB C 13 35.715 0.196 . 1 . . . . . 538 V CB . 51624 1 1045 . 1 . 1 90 90 VAL CG1 C 13 20.42 0.184 . 1 . . . . . 538 V CG1 . 51624 1 1046 . 1 . 1 90 90 VAL CG2 C 13 20.74 0.252 . 1 . . . . . 538 V CG2 . 51624 1 1047 . 1 . 1 90 90 VAL N N 15 124.118 0.135 . 1 . . . . . 538 V N . 51624 1 1048 . 1 . 1 91 91 LEU H H 1 8.752 0.008 . 1 . . . . . 539 L H . 51624 1 1049 . 1 . 1 91 91 LEU HA H 1 4.76 0.009 . 1 . . . . . 539 L HA . 51624 1 1050 . 1 . 1 91 91 LEU HB2 H 1 1.149 0.017 . 2 . . . . . 539 L HB2 . 51624 1 1051 . 1 . 1 91 91 LEU HB3 H 1 1.896 0.008 . 2 . . . . . 539 L HB3 . 51624 1 1052 . 1 . 1 91 91 LEU HG H 1 1.52 0.007 . 1 . . . . . 539 L HG . 51624 1 1053 . 1 . 1 91 91 LEU HD11 H 1 0.858 0.004 . 1 . . . . . 539 L MD1 . 51624 1 1054 . 1 . 1 91 91 LEU HD12 H 1 0.858 0.004 . 1 . . . . . 539 L MD1 . 51624 1 1055 . 1 . 1 91 91 LEU HD13 H 1 0.858 0.004 . 1 . . . . . 539 L MD1 . 51624 1 1056 . 1 . 1 91 91 LEU HD21 H 1 0.942 0.005 . 1 . . . . . 539 L MD2 . 51624 1 1057 . 1 . 1 91 91 LEU HD22 H 1 0.942 0.005 . 1 . . . . . 539 L MD2 . 51624 1 1058 . 1 . 1 91 91 LEU HD23 H 1 0.942 0.005 . 1 . . . . . 539 L MD2 . 51624 1 1059 . 1 . 1 91 91 LEU C C 13 175.761 0.022 . 1 . . . . . 539 L C . 51624 1 1060 . 1 . 1 91 91 LEU CA C 13 54.48 0.144 . 1 . . . . . 539 L CA . 51624 1 1061 . 1 . 1 91 91 LEU CB C 13 42.212 0.122 . 1 . . . . . 539 L CB . 51624 1 1062 . 1 . 1 91 91 LEU CD1 C 13 23.918 0.036 . 1 . . . . . 539 L CD1 . 51624 1 1063 . 1 . 1 91 91 LEU CD2 C 13 25.741 0.024 . 1 . . . . . 539 L CD2 . 51624 1 1064 . 1 . 1 91 91 LEU N N 15 127.653 0.101 . 1 . . . . . 539 L N . 51624 1 1065 . 1 . 1 92 92 SER H H 1 8.93 0.009 . 1 . . . . . 540 S H . 51624 1 1066 . 1 . 1 92 92 SER HA H 1 4.715 0.011 . 1 . . . . . 540 S HA . 51624 1 1067 . 1 . 1 92 92 SER HB2 H 1 3.554 0.008 . 2 . . . . . 540 S HB2 . 51624 1 1068 . 1 . 1 92 92 SER HB3 H 1 3.804 0.008 . 2 . . . . . 540 S HB3 . 51624 1 1069 . 1 . 1 92 92 SER C C 13 174.707 0.008 . 1 . . . . . 540 S C . 51624 1 1070 . 1 . 1 92 92 SER CA C 13 56.281 0.145 . 1 . . . . . 540 S CA . 51624 1 1071 . 1 . 1 92 92 SER CB C 13 63.407 0.055 . 1 . . . . . 540 S CB . 51624 1 1072 . 1 . 1 92 92 SER N N 15 123.607 0.138 . 1 . . . . . 540 S N . 51624 1 1073 . 1 . 1 93 93 GLY H H 1 8.909 0.001 . 1 . . . . . 541 G H . 51624 1 1074 . 1 . 1 93 93 GLY HA2 H 1 4.569 0.01 . 1 . . . . . 541 G QA . 51624 1 1075 . 1 . 1 93 93 GLY HA3 H 1 4.569 0.01 . 1 . . . . . 541 G QA . 51624 1 1076 . 1 . 1 93 93 GLY C C 13 174.491 0.2 . 1 . . . . . 541 G C . 51624 1 1077 . 1 . 1 93 93 GLY CA C 13 47.509 0.025 . 1 . . . . . 541 G CA . 51624 1 1078 . 1 . 1 93 93 GLY N N 15 116.624 0.066 . 1 . . . . . 541 G N . 51624 1 1079 . 1 . 1 94 94 GLN H H 1 8.853 0.006 . 1 . . . . . 542 Q H . 51624 1 1080 . 1 . 1 94 94 GLN HA H 1 3.975 0.026 . 1 . . . . . 542 Q HA . 51624 1 1081 . 1 . 1 94 94 GLN HB2 H 1 1.939 0.006 . 2 . . . . . 542 Q HB2 . 51624 1 1082 . 1 . 1 94 94 GLN HB3 H 1 2.072 0.01 . 2 . . . . . 542 Q HB3 . 51624 1 1083 . 1 . 1 94 94 GLN HG2 H 1 2.43 0.023 . 1 . . . . . 542 Q QG . 51624 1 1084 . 1 . 1 94 94 GLN HG3 H 1 2.43 0.023 . 1 . . . . . 542 Q QG . 51624 1 1085 . 1 . 1 94 94 GLN HE21 H 1 7.635 0.006 . 2 . . . . . 542 Q HE21 . 51624 1 1086 . 1 . 1 94 94 GLN HE22 H 1 6.885 0.004 . 2 . . . . . 542 Q HE22 . 51624 1 1087 . 1 . 1 94 94 GLN C C 13 175.341 0.034 . 1 . . . . . 542 Q C . 51624 1 1088 . 1 . 1 94 94 GLN CA C 13 55.218 0.077 . 1 . . . . . 542 Q CA . 51624 1 1089 . 1 . 1 94 94 GLN CB C 13 27.94 0.137 . 1 . . . . . 542 Q CB . 51624 1 1090 . 1 . 1 94 94 GLN CG C 13 34.627 0.2 . 1 . . . . . 542 Q CG . 51624 1 1091 . 1 . 1 94 94 GLN N N 15 124.632 0.092 . 1 . . . . . 542 Q N . 51624 1 1092 . 1 . 1 94 94 GLN NE2 N 15 112.05 0.034 . 1 . . . . . 542 Q NE2 . 51624 1 1093 . 1 . 1 95 95 GLU H H 1 7.775 0.005 . 1 . . . . . 543 E H . 51624 1 1094 . 1 . 1 95 95 GLU HA H 1 5.065 0.013 . 1 . . . . . 543 E HA . 51624 1 1095 . 1 . 1 95 95 GLU HB2 H 1 1.836 0.008 . 1 . . . . . 543 E QB . 51624 1 1096 . 1 . 1 95 95 GLU HB3 H 1 1.836 0.008 . 1 . . . . . 543 E QB . 51624 1 1097 . 1 . 1 95 95 GLU HG2 H 1 2.071 0.008 . 1 . . . . . 543 E QG . 51624 1 1098 . 1 . 1 95 95 GLU HG3 H 1 2.071 0.008 . 1 . . . . . 543 E QG . 51624 1 1099 . 1 . 1 95 95 GLU C C 13 174.166 0.009 . 1 . . . . . 543 E C . 51624 1 1100 . 1 . 1 95 95 GLU CA C 13 55.084 0.204 . 1 . . . . . 543 E CA . 51624 1 1101 . 1 . 1 95 95 GLU CB C 13 33.307 0.182 . 1 . . . . . 543 E CB . 51624 1 1102 . 1 . 1 95 95 GLU CG C 13 36.354 0.2 . 1 . . . . . 543 E CG . 51624 1 1103 . 1 . 1 95 95 GLU N N 15 118.788 0.178 . 1 . . . . . 543 E N . 51624 1 1104 . 1 . 1 96 96 VAL H H 1 9.277 0.013 . 1 . . . . . 544 V H . 51624 1 1105 . 1 . 1 96 96 VAL HA H 1 4.556 0.015 . 1 . . . . . 544 V HA . 51624 1 1106 . 1 . 1 96 96 VAL HB H 1 1.66 0.012 . 1 . . . . . 544 V HB . 51624 1 1107 . 1 . 1 96 96 VAL HG11 H 1 0.592 0.007 . 1 . . . . . 544 V MG1 . 51624 1 1108 . 1 . 1 96 96 VAL HG12 H 1 0.592 0.007 . 1 . . . . . 544 V MG1 . 51624 1 1109 . 1 . 1 96 96 VAL HG13 H 1 0.592 0.007 . 1 . . . . . 544 V MG1 . 51624 1 1110 . 1 . 1 96 96 VAL HG21 H 1 0.47 0.028 . 1 . . . . . 544 V MG2 . 51624 1 1111 . 1 . 1 96 96 VAL HG22 H 1 0.47 0.028 . 1 . . . . . 544 V MG2 . 51624 1 1112 . 1 . 1 96 96 VAL HG23 H 1 0.47 0.028 . 1 . . . . . 544 V MG2 . 51624 1 1113 . 1 . 1 96 96 VAL C C 13 174.381 0.03 . 1 . . . . . 544 V C . 51624 1 1114 . 1 . 1 96 96 VAL CA C 13 61.317 0.13 . 1 . . . . . 544 V CA . 51624 1 1115 . 1 . 1 96 96 VAL CB C 13 32.812 0.226 . 1 . . . . . 544 V CB . 51624 1 1116 . 1 . 1 96 96 VAL CG1 C 13 22.141 0.143 . 1 . . . . . 544 V CG1 . 51624 1 1117 . 1 . 1 96 96 VAL CG2 C 13 23.701 0.094 . 1 . . . . . 544 V CG2 . 51624 1 1118 . 1 . 1 96 96 VAL N N 15 123.845 0.12 . 1 . . . . . 544 V N . 51624 1 1119 . 1 . 1 97 97 VAL H H 1 9.256 0.007 . 1 . . . . . 545 V H . 51624 1 1120 . 1 . 1 97 97 VAL HA H 1 4.758 0.018 . 1 . . . . . 545 V HA . 51624 1 1121 . 1 . 1 97 97 VAL HB H 1 1.962 0.021 . 1 . . . . . 545 V HB . 51624 1 1122 . 1 . 1 97 97 VAL HG11 H 1 0.81 0.011 . 1 . . . . . 545 V MG1 . 51624 1 1123 . 1 . 1 97 97 VAL HG12 H 1 0.81 0.011 . 1 . . . . . 545 V MG1 . 51624 1 1124 . 1 . 1 97 97 VAL HG13 H 1 0.81 0.011 . 1 . . . . . 545 V MG1 . 51624 1 1125 . 1 . 1 97 97 VAL HG21 H 1 0.863 0.006 . 1 . . . . . 545 V MG2 . 51624 1 1126 . 1 . 1 97 97 VAL HG22 H 1 0.863 0.006 . 1 . . . . . 545 V MG2 . 51624 1 1127 . 1 . 1 97 97 VAL HG23 H 1 0.863 0.006 . 1 . . . . . 545 V MG2 . 51624 1 1128 . 1 . 1 97 97 VAL C C 13 175.409 0.014 . 1 . . . . . 545 V C . 51624 1 1129 . 1 . 1 97 97 VAL CA C 13 61.332 0.116 . 1 . . . . . 545 V CA . 51624 1 1130 . 1 . 1 97 97 VAL CB C 13 33.2 0.2 . 1 . . . . . 545 V CB . 51624 1 1131 . 1 . 1 97 97 VAL CG1 C 13 21.499 0.001 . 1 . . . . . 545 V CG1 . 51624 1 1132 . 1 . 1 97 97 VAL CG2 C 13 21.39 0.067 . 1 . . . . . 545 V CG2 . 51624 1 1133 . 1 . 1 97 97 VAL N N 15 127.926 0.151 . 1 . . . . . 545 V N . 51624 1 1134 . 1 . 1 98 98 LEU H H 1 9.249 0.006 . 1 . . . . . 546 L H . 51624 1 1135 . 1 . 1 98 98 LEU HA H 1 5.555 0.019 . 1 . . . . . 546 L HA . 51624 1 1136 . 1 . 1 98 98 LEU HB2 H 1 1.414 0.02 . 2 . . . . . 546 L HB2 . 51624 1 1137 . 1 . 1 98 98 LEU HB3 H 1 1.573 0.017 . 2 . . . . . 546 L HB3 . 51624 1 1138 . 1 . 1 98 98 LEU HG H 1 1.592 0 . 1 . . . . . 546 L HG . 51624 1 1139 . 1 . 1 98 98 LEU HD11 H 1 0.655 0.012 . 1 . . . . . 546 L MD1 . 51624 1 1140 . 1 . 1 98 98 LEU HD12 H 1 0.655 0.012 . 1 . . . . . 546 L MD1 . 51624 1 1141 . 1 . 1 98 98 LEU HD13 H 1 0.655 0.012 . 1 . . . . . 546 L MD1 . 51624 1 1142 . 1 . 1 98 98 LEU HD21 H 1 0.604 0.018 . 1 . . . . . 546 L MD2 . 51624 1 1143 . 1 . 1 98 98 LEU HD22 H 1 0.604 0.018 . 1 . . . . . 546 L MD2 . 51624 1 1144 . 1 . 1 98 98 LEU HD23 H 1 0.604 0.018 . 1 . . . . . 546 L MD2 . 51624 1 1145 . 1 . 1 98 98 LEU C C 13 176.685 0.025 . 1 . . . . . 546 L C . 51624 1 1146 . 1 . 1 98 98 LEU CA C 13 53.015 0.136 . 1 . . . . . 546 L CA . 51624 1 1147 . 1 . 1 98 98 LEU CB C 13 43.818 0.403 . 1 . . . . . 546 L CB . 51624 1 1148 . 1 . 1 98 98 LEU CG C 13 28.6 0 . 1 . . . . . 546 L CG . 51624 1 1149 . 1 . 1 98 98 LEU CD1 C 13 25.638 0.142 . 1 . . . . . 546 L CD1 . 51624 1 1150 . 1 . 1 98 98 LEU CD2 C 13 25.837 0.326 . 1 . . . . . 546 L CD2 . 51624 1 1151 . 1 . 1 98 98 LEU N N 15 128.806 0.155 . 1 . . . . . 546 L N . 51624 1 1152 . 1 . 1 99 99 GLU H H 1 9.253 0.008 . 1 . . . . . 547 E H . 51624 1 1153 . 1 . 1 99 99 GLU HA H 1 5.902 0.007 . 1 . . . . . 547 E HA . 51624 1 1154 . 1 . 1 99 99 GLU HB2 H 1 2.152 0.011 . 1 . . . . . 547 E QB . 51624 1 1155 . 1 . 1 99 99 GLU HB3 H 1 2.152 0.011 . 1 . . . . . 547 E QB . 51624 1 1156 . 1 . 1 99 99 GLU HG2 H 1 2.432 0.009 . 2 . . . . . 547 E HG2 . 51624 1 1157 . 1 . 1 99 99 GLU HG3 H 1 2.234 0.007 . 2 . . . . . 547 E HG3 . 51624 1 1158 . 1 . 1 99 99 GLU C C 13 176.113 0.037 . 1 . . . . . 547 E C . 51624 1 1159 . 1 . 1 99 99 GLU CA C 13 55.117 0.254 . 1 . . . . . 547 E CA . 51624 1 1160 . 1 . 1 99 99 GLU CB C 13 34.015 0.044 . 1 . . . . . 547 E CB . 51624 1 1161 . 1 . 1 99 99 GLU CG C 13 37.403 0.009 . 1 . . . . . 547 E CG . 51624 1 1162 . 1 . 1 99 99 GLU N N 15 120.473 0.143 . 1 . . . . . 547 E N . 51624 1 1163 . 1 . 1 100 100 TRP H H 1 9.269 0.007 . 1 . . . . . 548 W H . 51624 1 1164 . 1 . 1 100 100 TRP HA H 1 5.134 0.012 . 1 . . . . . 548 W HA . 51624 1 1165 . 1 . 1 100 100 TRP HB2 H 1 2.997 0.003 . 1 . . . . . 548 W QB . 51624 1 1166 . 1 . 1 100 100 TRP HB3 H 1 2.997 0.003 . 1 . . . . . 548 W QB . 51624 1 1167 . 1 . 1 100 100 TRP HD1 H 1 7.049 0.024 . 1 . . . . . 548 W HD1 . 51624 1 1168 . 1 . 1 100 100 TRP HE1 H 1 10.593 0.009 . 1 . . . . . 548 W HE1 . 51624 1 1169 . 1 . 1 100 100 TRP HE3 H 1 6.704 0.011 . 1 . . . . . 548 W HE3 . 51624 1 1170 . 1 . 1 100 100 TRP HZ2 H 1 7.28 0.017 . 1 . . . . . 548 W HZ2 . 51624 1 1171 . 1 . 1 100 100 TRP HZ3 H 1 7.076 0.014 . 1 . . . . . 548 W HZ3 . 51624 1 1172 . 1 . 1 100 100 TRP HH2 H 1 6.951 0.004 . 1 . . . . . 548 W HH2 . 51624 1 1173 . 1 . 1 100 100 TRP C C 13 172.491 0.01 . 1 . . . . . 548 W C . 51624 1 1174 . 1 . 1 100 100 TRP CA C 13 57.506 0.119 . 1 . . . . . 548 W CA . 51624 1 1175 . 1 . 1 100 100 TRP CB C 13 34.153 0.164 . 1 . . . . . 548 W CB . 51624 1 1176 . 1 . 1 100 100 TRP CZ2 C 13 115.856 0.2 . 1 . . . . . 548 W CZ2 . 51624 1 1177 . 1 . 1 100 100 TRP N N 15 125.717 0.079 . 1 . . . . . 548 W N . 51624 1 1178 . 1 . 1 100 100 TRP NE1 N 15 128.356 0.111 . 1 . . . . . 548 W NE1 . 51624 1 1179 . 1 . 1 101 101 LYS H H 1 8.649 0.006 . 1 . . . . . 549 K H . 51624 1 1180 . 1 . 1 101 101 LYS HA H 1 4.565 0.023 . 1 . . . . . 549 K HA . 51624 1 1181 . 1 . 1 101 101 LYS HB2 H 1 1.77 0.024 . 2 . . . . . 549 K HB2 . 51624 1 1182 . 1 . 1 101 101 LYS HB3 H 1 1.747 0.04 . 2 . . . . . 549 K HB3 . 51624 1 1183 . 1 . 1 101 101 LYS HG2 H 1 1.243 0.014 . 2 . . . . . 549 K HG2 . 51624 1 1184 . 1 . 1 101 101 LYS HG3 H 1 1.339 0.009 . 2 . . . . . 549 K HG3 . 51624 1 1185 . 1 . 1 101 101 LYS HD2 H 1 1.375 0.014 . 1 . . . . . 549 K QD . 51624 1 1186 . 1 . 1 101 101 LYS HD3 H 1 1.375 0.014 . 1 . . . . . 549 K QD . 51624 1 1187 . 1 . 1 101 101 LYS HE2 H 1 3.002 0.02 . 1 . . . . . 549 K QE . 51624 1 1188 . 1 . 1 101 101 LYS HE3 H 1 3.002 0.02 . 1 . . . . . 549 K QE . 51624 1 1189 . 1 . 1 101 101 LYS C C 13 177.285 0.04 . 1 . . . . . 549 K C . 51624 1 1190 . 1 . 1 101 101 LYS CA C 13 55.39 0.109 . 1 . . . . . 549 K CA . 51624 1 1191 . 1 . 1 101 101 LYS CB C 13 32.729 0.187 . 1 . . . . . 549 K CB . 51624 1 1192 . 1 . 1 101 101 LYS CG C 13 24.531 0.2 . 1 . . . . . 549 K CG . 51624 1 1193 . 1 . 1 101 101 LYS CD C 13 28.933 0.15 . 1 . . . . . 549 K CD . 51624 1 1194 . 1 . 1 101 101 LYS CE C 13 41.994 0.017 . 1 . . . . . 549 K CE . 51624 1 1195 . 1 . 1 101 101 LYS N N 15 121.328 0.098 . 1 . . . . . 549 K N . 51624 1 1196 . 1 . 1 102 102 SER H H 1 8.609 0.009 . 1 . . . . . 550 S H . 51624 1 1197 . 1 . 1 102 102 SER HA H 1 4.015 0.018 . 1 . . . . . 550 S HA . 51624 1 1198 . 1 . 1 102 102 SER HB2 H 1 3.934 0.02 . 1 . . . . . 550 S QB . 51624 1 1199 . 1 . 1 102 102 SER HB3 H 1 3.934 0.02 . 1 . . . . . 550 S QB . 51624 1 1200 . 1 . 1 102 102 SER C C 13 175.368 0.2 . 1 . . . . . 550 S C . 51624 1 1201 . 1 . 1 102 102 SER CA C 13 61.89 0.166 . 1 . . . . . 550 S CA . 51624 1 1202 . 1 . 1 102 102 SER CB C 13 64.003 0.2 . 1 . . . . . 550 S CB . 51624 1 1203 . 1 . 1 102 102 SER N N 15 119.673 0.074 . 1 . . . . . 550 S N . 51624 1 1204 . 1 . 1 103 103 SER H H 1 7.448 0.012 . 1 . . . . . 551 S H . 51624 1 1205 . 1 . 1 103 103 SER HA H 1 4.216 0.021 . 1 . . . . . 551 S HA . 51624 1 1206 . 1 . 1 103 103 SER HB2 H 1 3.935 0.02 . 1 . . . . . 551 S QB . 51624 1 1207 . 1 . 1 103 103 SER HB3 H 1 3.935 0.02 . 1 . . . . . 551 S QB . 51624 1 1208 . 1 . 1 103 103 SER C C 13 173.474 0.2 . 1 . . . . . 551 S C . 51624 1 1209 . 1 . 1 103 103 SER CA C 13 57.656 0.068 . 1 . . . . . 551 S CA . 51624 1 1210 . 1 . 1 103 103 SER CB C 13 65.598 0.2 . 1 . . . . . 551 S CB . 51624 1 1211 . 1 . 1 103 103 SER N N 15 118.138 0.082 . 1 . . . . . 551 S N . 51624 1 1212 . 1 . 1 104 104 TYR HA H 1 4.203 0.005 . 1 . . . . . 552 Y HA . 51624 1 1213 . 1 . 1 104 104 TYR HB2 H 1 2.958 0.009 . 1 . . . . . 552 Y QB . 51624 1 1214 . 1 . 1 104 104 TYR HB3 H 1 2.958 0.009 . 1 . . . . . 552 Y QB . 51624 1 1215 . 1 . 1 104 104 TYR HD1 H 1 7.076 0.008 . 1 . . . . . 552 Y QD . 51624 1 1216 . 1 . 1 104 104 TYR HD2 H 1 7.076 0.008 . 1 . . . . . 552 Y QD . 51624 1 1217 . 1 . 1 104 104 TYR HE1 H 1 6.76 0.007 . 1 . . . . . 552 Y QE . 51624 1 1218 . 1 . 1 104 104 TYR HE2 H 1 6.76 0.007 . 1 . . . . . 552 Y QE . 51624 1 1219 . 1 . 1 104 104 TYR C C 13 177.9 0.038 . 1 . . . . . 552 Y C . 51624 1 1220 . 1 . 1 104 104 TYR CA C 13 62.02 0.119 . 1 . . . . . 552 Y CA . 51624 1 1221 . 1 . 1 104 104 TYR CB C 13 37.329 0.212 . 1 . . . . . 552 Y CB . 51624 1 1222 . 1 . 1 104 104 TYR CE1 C 13 118.222 0.2 . 1 . . . . . 552 Y CE1 . 51624 1 1223 . 1 . 1 104 104 TYR CE2 C 13 118.222 0.2 . 1 . . . . . 552 Y CE2 . 51624 1 1224 . 1 . 1 105 105 THR H H 1 8.205 0.008 . 1 . . . . . 553 T H . 51624 1 1225 . 1 . 1 105 105 THR HA H 1 3.731 0.013 . 1 . . . . . 553 T HA . 51624 1 1226 . 1 . 1 105 105 THR HB H 1 4.023 0.019 . 1 . . . . . 553 T HB . 51624 1 1227 . 1 . 1 105 105 THR HG21 H 1 1.227 0.012 . 1 . . . . . 553 T MG . 51624 1 1228 . 1 . 1 105 105 THR HG22 H 1 1.227 0.012 . 1 . . . . . 553 T MG . 51624 1 1229 . 1 . 1 105 105 THR HG23 H 1 1.227 0.012 . 1 . . . . . 553 T MG . 51624 1 1230 . 1 . 1 105 105 THR C C 13 177.34 0.039 . 1 . . . . . 553 T C . 51624 1 1231 . 1 . 1 105 105 THR CA C 13 65.706 0.168 . 1 . . . . . 553 T CA . 51624 1 1232 . 1 . 1 105 105 THR CB C 13 68.538 0.203 . 1 . . . . . 553 T CB . 51624 1 1233 . 1 . 1 105 105 THR CG2 C 13 22.097 0.217 . 1 . . . . . 553 T CG2 . 51624 1 1234 . 1 . 1 105 105 THR N N 15 111.039 0.071 . 1 . . . . . 553 T N . 51624 1 1235 . 1 . 1 106 106 ASP H H 1 8.114 0.013 . 1 . . . . . 554 D H . 51624 1 1236 . 1 . 1 106 106 ASP HA H 1 4.498 0.03 . 1 . . . . . 554 D HA . 51624 1 1237 . 1 . 1 106 106 ASP HB2 H 1 2.707 0.022 . 1 . . . . . 554 D QB . 51624 1 1238 . 1 . 1 106 106 ASP HB3 H 1 2.707 0.022 . 1 . . . . . 554 D QB . 51624 1 1239 . 1 . 1 106 106 ASP C C 13 176.641 0.2 . 1 . . . . . 554 D C . 51624 1 1240 . 1 . 1 106 106 ASP CA C 13 58.232 0.041 . 1 . . . . . 554 D CA . 51624 1 1241 . 1 . 1 106 106 ASP CB C 13 41.874 0.143 . 1 . . . . . 554 D CB . 51624 1 1242 . 1 . 1 106 106 ASP N N 15 121.372 0.058 . 1 . . . . . 554 D N . 51624 1 1243 . 1 . 1 107 107 ASP H H 1 8.502 0.005 . 1 . . . . . 555 D H . 51624 1 1244 . 1 . 1 107 107 ASP HA H 1 4.654 0.014 . 1 . . . . . 555 D HA . 51624 1 1245 . 1 . 1 107 107 ASP HB2 H 1 2.72 0.008 . 2 . . . . . 555 D HB2 . 51624 1 1246 . 1 . 1 107 107 ASP HB3 H 1 3.188 0.002 . 2 . . . . . 555 D HB3 . 51624 1 1247 . 1 . 1 107 107 ASP C C 13 180.212 0.028 . 1 . . . . . 555 D C . 51624 1 1248 . 1 . 1 107 107 ASP CA C 13 57.753 0.101 . 1 . . . . . 555 D CA . 51624 1 1249 . 1 . 1 107 107 ASP CB C 13 39.211 0.254 . 1 . . . . . 555 D CB . 51624 1 1250 . 1 . 1 107 107 ASP N N 15 120.203 0.138 . 1 . . . . . 555 D N . 51624 1 1251 . 1 . 1 108 108 VAL H H 1 7.454 0.01 . 1 . . . . . 556 V H . 51624 1 1252 . 1 . 1 108 108 VAL HA H 1 3.59 0.012 . 1 . . . . . 556 V HA . 51624 1 1253 . 1 . 1 108 108 VAL HB H 1 2.01 0.015 . 1 . . . . . 556 V HB . 51624 1 1254 . 1 . 1 108 108 VAL HG11 H 1 0.856 0.012 . 1 . . . . . 556 V MG1 . 51624 1 1255 . 1 . 1 108 108 VAL HG12 H 1 0.856 0.012 . 1 . . . . . 556 V MG1 . 51624 1 1256 . 1 . 1 108 108 VAL HG13 H 1 0.856 0.012 . 1 . . . . . 556 V MG1 . 51624 1 1257 . 1 . 1 108 108 VAL HG21 H 1 0.777 0.008 . 1 . . . . . 556 V MG2 . 51624 1 1258 . 1 . 1 108 108 VAL HG22 H 1 0.777 0.008 . 1 . . . . . 556 V MG2 . 51624 1 1259 . 1 . 1 108 108 VAL HG23 H 1 0.777 0.008 . 1 . . . . . 556 V MG2 . 51624 1 1260 . 1 . 1 108 108 VAL C C 13 178.839 0.066 . 1 . . . . . 556 V C . 51624 1 1261 . 1 . 1 108 108 VAL CA C 13 66.676 0.127 . 1 . . . . . 556 V CA . 51624 1 1262 . 1 . 1 108 108 VAL CB C 13 31.236 0.1 . 1 . . . . . 556 V CB . 51624 1 1263 . 1 . 1 108 108 VAL CG1 C 13 21.477 0.175 . 1 . . . . . 556 V CG1 . 51624 1 1264 . 1 . 1 108 108 VAL CG2 C 13 22.496 0.069 . 1 . . . . . 556 V CG2 . 51624 1 1265 . 1 . 1 108 108 VAL N N 15 120.512 0.067 . 1 . . . . . 556 V N . 51624 1 1266 . 1 . 1 109 109 LEU H H 1 7.757 0.012 . 1 . . . . . 557 L H . 51624 1 1267 . 1 . 1 109 109 LEU HA H 1 4 0.014 . 1 . . . . . 557 L HA . 51624 1 1268 . 1 . 1 109 109 LEU HB2 H 1 1.733 0.013 . 2 . . . . . 557 L HB2 . 51624 1 1269 . 1 . 1 109 109 LEU HB3 H 1 1.296 0.015 . 2 . . . . . 557 L HB3 . 51624 1 1270 . 1 . 1 109 109 LEU HG H 1 1.475 0.013 . 1 . . . . . 557 L HG . 51624 1 1271 . 1 . 1 109 109 LEU HD11 H 1 0.809 0.005 . 1 . . . . . 557 L MD1 . 51624 1 1272 . 1 . 1 109 109 LEU HD12 H 1 0.809 0.005 . 1 . . . . . 557 L MD1 . 51624 1 1273 . 1 . 1 109 109 LEU HD13 H 1 0.809 0.005 . 1 . . . . . 557 L MD1 . 51624 1 1274 . 1 . 1 109 109 LEU HD21 H 1 0.798 0.006 . 1 . . . . . 557 L MD2 . 51624 1 1275 . 1 . 1 109 109 LEU HD22 H 1 0.798 0.006 . 1 . . . . . 557 L MD2 . 51624 1 1276 . 1 . 1 109 109 LEU HD23 H 1 0.798 0.006 . 1 . . . . . 557 L MD2 . 51624 1 1277 . 1 . 1 109 109 LEU C C 13 178.835 0.055 . 1 . . . . . 557 L C . 51624 1 1278 . 1 . 1 109 109 LEU CA C 13 57.821 0.153 . 1 . . . . . 557 L CA . 51624 1 1279 . 1 . 1 109 109 LEU CB C 13 41.601 0.13 . 1 . . . . . 557 L CB . 51624 1 1280 . 1 . 1 109 109 LEU CG C 13 27.401 0.001 . 1 . . . . . 557 L CG . 51624 1 1281 . 1 . 1 109 109 LEU CD1 C 13 24.006 0.048 . 1 . . . . . 557 L CD1 . 51624 1 1282 . 1 . 1 109 109 LEU CD2 C 13 23.983 0.086 . 1 . . . . . 557 L CD2 . 51624 1 1283 . 1 . 1 109 109 LEU N N 15 122.875 0.099 . 1 . . . . . 557 L N . 51624 1 1284 . 1 . 1 110 110 ALA H H 1 8.317 0.008 . 1 . . . . . 558 A H . 51624 1 1285 . 1 . 1 110 110 ALA HA H 1 3.396 0.006 . 1 . . . . . 558 A HA . 51624 1 1286 . 1 . 1 110 110 ALA HB1 H 1 0.278 0.013 . 1 . . . . . 558 A MB . 51624 1 1287 . 1 . 1 110 110 ALA HB2 H 1 0.278 0.013 . 1 . . . . . 558 A MB . 51624 1 1288 . 1 . 1 110 110 ALA HB3 H 1 0.278 0.013 . 1 . . . . . 558 A MB . 51624 1 1289 . 1 . 1 110 110 ALA CA C 13 55.656 0.204 . 1 . . . . . 558 A CA . 51624 1 1290 . 1 . 1 110 110 ALA CB C 13 16.938 0.152 . 1 . . . . . 558 A CB . 51624 1 1291 . 1 . 1 110 110 ALA N N 15 120.513 0.121 . 1 . . . . . 558 A N . 51624 1 1292 . 1 . 1 111 111 ILE H H 1 7.345 0.004 . 1 . . . . . 559 I H . 51624 1 1293 . 1 . 1 111 111 ILE HA H 1 3.858 0.017 . 1 . . . . . 559 I HA . 51624 1 1294 . 1 . 1 111 111 ILE HB H 1 2.009 0.01 . 1 . . . . . 559 I HB . 51624 1 1295 . 1 . 1 111 111 ILE HG12 H 1 1.886 0.013 . 2 . . . . . 559 I HG12 . 51624 1 1296 . 1 . 1 111 111 ILE HG13 H 1 1.171 0.011 . 2 . . . . . 559 I HG13 . 51624 1 1297 . 1 . 1 111 111 ILE HG21 H 1 0.948 0.008 . 1 . . . . . 559 I MG . 51624 1 1298 . 1 . 1 111 111 ILE HG22 H 1 0.948 0.008 . 1 . . . . . 559 I MG . 51624 1 1299 . 1 . 1 111 111 ILE HG23 H 1 0.948 0.008 . 1 . . . . . 559 I MG . 51624 1 1300 . 1 . 1 111 111 ILE HD11 H 1 0.766 0.008 . 1 . . . . . 559 I MD . 51624 1 1301 . 1 . 1 111 111 ILE HD12 H 1 0.766 0.008 . 1 . . . . . 559 I MD . 51624 1 1302 . 1 . 1 111 111 ILE HD13 H 1 0.766 0.008 . 1 . . . . . 559 I MD . 51624 1 1303 . 1 . 1 111 111 ILE C C 13 178.24 0.008 . 1 . . . . . 559 I C . 51624 1 1304 . 1 . 1 111 111 ILE CA C 13 65.447 0.351 . 1 . . . . . 559 I CA . 51624 1 1305 . 1 . 1 111 111 ILE CB C 13 37.617 0.131 . 1 . . . . . 559 I CB . 51624 1 1306 . 1 . 1 111 111 ILE CG1 C 13 29.482 0.154 . 1 . . . . . 559 I CG1 . 51624 1 1307 . 1 . 1 111 111 ILE CG2 C 13 16.884 0.089 . 1 . . . . . 559 I CG2 . 51624 1 1308 . 1 . 1 111 111 ILE CD1 C 13 13.44 0.151 . 1 . . . . . 559 I CD1 . 51624 1 1309 . 1 . 1 111 111 ILE N N 15 118.681 0.041 . 1 . . . . . 559 I N . 51624 1 1310 . 1 . 1 112 112 SER H H 1 7.659 0.004 . 1 . . . . . 560 S H . 51624 1 1311 . 1 . 1 112 112 SER HA H 1 4.232 0.013 . 1 . . . . . 560 S HA . 51624 1 1312 . 1 . 1 112 112 SER HB2 H 1 3.923 0.015 . 2 . . . . . 560 S HB2 . 51624 1 1313 . 1 . 1 112 112 SER HB3 H 1 4.069 0.007 . 2 . . . . . 560 S HB3 . 51624 1 1314 . 1 . 1 112 112 SER C C 13 177.135 0.2 . 1 . . . . . 560 S C . 51624 1 1315 . 1 . 1 112 112 SER CA C 13 62.486 0.389 . 1 . . . . . 560 S CA . 51624 1 1316 . 1 . 1 112 112 SER N N 15 117.681 0.066 . 1 . . . . . 560 S N . 51624 1 1317 . 1 . 1 113 113 ILE H H 1 8.539 0.01 . 1 . . . . . 561 I H . 51624 1 1318 . 1 . 1 113 113 ILE HA H 1 3.618 0.023 . 1 . . . . . 561 I HA . 51624 1 1319 . 1 . 1 113 113 ILE HB H 1 1.539 0.022 . 1 . . . . . 561 I HB . 51624 1 1320 . 1 . 1 113 113 ILE HG12 H 1 1.515 0.011 . 2 . . . . . 561 I HG12 . 51624 1 1321 . 1 . 1 113 113 ILE HG13 H 1 0.18 0.027 . 2 . . . . . 561 I HG13 . 51624 1 1322 . 1 . 1 113 113 ILE HG21 H 1 0.599 0.01 . 1 . . . . . 561 I MG . 51624 1 1323 . 1 . 1 113 113 ILE HG22 H 1 0.599 0.01 . 1 . . . . . 561 I MG . 51624 1 1324 . 1 . 1 113 113 ILE HG23 H 1 0.599 0.01 . 1 . . . . . 561 I MG . 51624 1 1325 . 1 . 1 113 113 ILE HD11 H 1 0.283 0.011 . 1 . . . . . 561 I MD . 51624 1 1326 . 1 . 1 113 113 ILE HD12 H 1 0.283 0.011 . 1 . . . . . 561 I MD . 51624 1 1327 . 1 . 1 113 113 ILE HD13 H 1 0.283 0.011 . 1 . . . . . 561 I MD . 51624 1 1328 . 1 . 1 113 113 ILE C C 13 177.432 0.022 . 1 . . . . . 561 I C . 51624 1 1329 . 1 . 1 113 113 ILE CA C 13 65.827 0.161 . 1 . . . . . 561 I CA . 51624 1 1330 . 1 . 1 113 113 ILE CB C 13 38.283 0.181 . 1 . . . . . 561 I CB . 51624 1 1331 . 1 . 1 113 113 ILE CG1 C 13 28.904 0.273 . 1 . . . . . 561 I CG1 . 51624 1 1332 . 1 . 1 113 113 ILE CG2 C 13 17.913 0.252 . 1 . . . . . 561 I CG2 . 51624 1 1333 . 1 . 1 113 113 ILE CD1 C 13 14.265 0.109 . 1 . . . . . 561 I CD1 . 51624 1 1334 . 1 . 1 113 113 ILE N N 15 122.74 0.113 . 1 . . . . . 561 I N . 51624 1 1335 . 1 . 1 114 114 SER H H 1 8.265 0.01 . 1 . . . . . 562 S H . 51624 1 1336 . 1 . 1 114 114 SER HA H 1 3.918 0.026 . 1 . . . . . 562 S HA . 51624 1 1337 . 1 . 1 114 114 SER HB2 H 1 3.807 0.011 . 1 . . . . . 562 S QB . 51624 1 1338 . 1 . 1 114 114 SER HB3 H 1 3.807 0.011 . 1 . . . . . 562 S QB . 51624 1 1339 . 1 . 1 114 114 SER C C 13 174.084 0.2 . 1 . . . . . 562 S C . 51624 1 1340 . 1 . 1 114 114 SER CA C 13 62.263 0.083 . 1 . . . . . 562 S CA . 51624 1 1341 . 1 . 1 114 114 SER N N 15 113.564 0.067 . 1 . . . . . 562 S N . 51624 1 1342 . 1 . 1 115 115 LYS H H 1 7.996 0.006 . 1 . . . . . 563 K H . 51624 1 1343 . 1 . 1 115 115 LYS HA H 1 4.13 0.025 . 1 . . . . . 563 K HA . 51624 1 1344 . 1 . 1 115 115 LYS HB2 H 1 1.905 0.005 . 1 . . . . . 563 K QB . 51624 1 1345 . 1 . 1 115 115 LYS HB3 H 1 1.905 0.005 . 1 . . . . . 563 K QB . 51624 1 1346 . 1 . 1 115 115 LYS HG2 H 1 1.519 0.002 . 2 . . . . . 563 K HG2 . 51624 1 1347 . 1 . 1 115 115 LYS HG3 H 1 1.623 0.021 . 2 . . . . . 563 K HG3 . 51624 1 1348 . 1 . 1 115 115 LYS HD2 H 1 1.668 0.004 . 1 . . . . . 563 K QD . 51624 1 1349 . 1 . 1 115 115 LYS HD3 H 1 1.668 0.004 . 1 . . . . . 563 K QD . 51624 1 1350 . 1 . 1 115 115 LYS HE2 H 1 2.941 0.009 . 1 . . . . . 563 K QE . 51624 1 1351 . 1 . 1 115 115 LYS HE3 H 1 2.941 0.009 . 1 . . . . . 563 K QE . 51624 1 1352 . 1 . 1 115 115 LYS C C 13 178.438 0.026 . 1 . . . . . 563 K C . 51624 1 1353 . 1 . 1 115 115 LYS CA C 13 58.699 0.103 . 1 . . . . . 563 K CA . 51624 1 1354 . 1 . 1 115 115 LYS CB C 13 32.197 0.204 . 1 . . . . . 563 K CB . 51624 1 1355 . 1 . 1 115 115 LYS CG C 13 25.013 0.083 . 1 . . . . . 563 K CG . 51624 1 1356 . 1 . 1 115 115 LYS CD C 13 29.068 0.229 . 1 . . . . . 563 K CD . 51624 1 1357 . 1 . 1 115 115 LYS CE C 13 41.981 0.2 . 1 . . . . . 563 K CE . 51624 1 1358 . 1 . 1 115 115 LYS N N 15 119.865 0.063 . 1 . . . . . 563 K N . 51624 1 1359 . 1 . 1 116 116 MET H H 1 7.701 0.005 . 1 . . . . . 564 M H . 51624 1 1360 . 1 . 1 116 116 MET HA H 1 4.239 0.014 . 1 . . . . . 564 M HA . 51624 1 1361 . 1 . 1 116 116 MET HB2 H 1 2.063 0.008 . 2 . . . . . 564 M HB2 . 51624 1 1362 . 1 . 1 116 116 MET HB3 H 1 2.289 0.008 . 2 . . . . . 564 M HB3 . 51624 1 1363 . 1 . 1 116 116 MET HG2 H 1 2.514 0.007 . 2 . . . . . 564 M HG2 . 51624 1 1364 . 1 . 1 116 116 MET HG3 H 1 2.613 0.025 . 2 . . . . . 564 M HG3 . 51624 1 1365 . 1 . 1 116 116 MET HE1 H 1 1.712 0.004 . 1 . . . . . 564 M ME . 51624 1 1366 . 1 . 1 116 116 MET HE2 H 1 1.712 0.004 . 1 . . . . . 564 M ME . 51624 1 1367 . 1 . 1 116 116 MET HE3 H 1 1.712 0.004 . 1 . . . . . 564 M ME . 51624 1 1368 . 1 . 1 116 116 MET C C 13 177.848 0.031 . 1 . . . . . 564 M C . 51624 1 1369 . 1 . 1 116 116 MET CA C 13 57.8 0.243 . 1 . . . . . 564 M CA . 51624 1 1370 . 1 . 1 116 116 MET CB C 13 32.822 0.428 . 1 . . . . . 564 M CB . 51624 1 1371 . 1 . 1 116 116 MET CG C 13 31.422 0.287 . 1 . . . . . 564 M CG . 51624 1 1372 . 1 . 1 116 116 MET CE C 13 17.093 0.125 . 1 . . . . . 564 M CE . 51624 1 1373 . 1 . 1 116 116 MET N N 15 117.315 0.074 . 1 . . . . . 564 M N . 51624 1 1374 . 1 . 1 117 117 ILE H H 1 7.567 0.009 . 1 . . . . . 565 I H . 51624 1 1375 . 1 . 1 117 117 ILE HA H 1 4.227 0.017 . 1 . . . . . 565 I HA . 51624 1 1376 . 1 . 1 117 117 ILE HB H 1 2.023 0.016 . 1 . . . . . 565 I HB . 51624 1 1377 . 1 . 1 117 117 ILE HG12 H 1 1.486 0.016 . 2 . . . . . 565 I HG12 . 51624 1 1378 . 1 . 1 117 117 ILE HG13 H 1 1.177 0.023 . 2 . . . . . 565 I HG13 . 51624 1 1379 . 1 . 1 117 117 ILE HG21 H 1 0.752 0.009 . 1 . . . . . 565 I MG . 51624 1 1380 . 1 . 1 117 117 ILE HG22 H 1 0.752 0.009 . 1 . . . . . 565 I MG . 51624 1 1381 . 1 . 1 117 117 ILE HG23 H 1 0.752 0.009 . 1 . . . . . 565 I MG . 51624 1 1382 . 1 . 1 117 117 ILE HD11 H 1 0.566 0.007 . 1 . . . . . 565 I MD . 51624 1 1383 . 1 . 1 117 117 ILE HD12 H 1 0.566 0.007 . 1 . . . . . 565 I MD . 51624 1 1384 . 1 . 1 117 117 ILE HD13 H 1 0.566 0.007 . 1 . . . . . 565 I MD . 51624 1 1385 . 1 . 1 117 117 ILE C C 13 175.851 0.043 . 1 . . . . . 565 I C . 51624 1 1386 . 1 . 1 117 117 ILE CA C 13 62.326 0.211 . 1 . . . . . 565 I CA . 51624 1 1387 . 1 . 1 117 117 ILE CB C 13 38.154 0.352 . 1 . . . . . 565 I CB . 51624 1 1388 . 1 . 1 117 117 ILE CG1 C 13 26.503 0.008 . 1 . . . . . 565 I CG1 . 51624 1 1389 . 1 . 1 117 117 ILE CG2 C 13 17.507 0.057 . 1 . . . . . 565 I CG2 . 51624 1 1390 . 1 . 1 117 117 ILE CD1 C 13 14.119 0.368 . 1 . . . . . 565 I CD1 . 51624 1 1391 . 1 . 1 117 117 ILE N N 15 112.206 0.075 . 1 . . . . . 565 I N . 51624 1 1392 . 1 . 1 118 118 SER H H 1 7.713 0.007 . 1 . . . . . 566 S H . 51624 1 1393 . 1 . 1 118 118 SER HA H 1 4.527 0.011 . 1 . . . . . 566 S HA . 51624 1 1394 . 1 . 1 118 118 SER HB2 H 1 3.98 0.019 . 2 . . . . . 566 S HB2 . 51624 1 1395 . 1 . 1 118 118 SER HB3 H 1 3.896 0.003 . 2 . . . . . 566 S HB3 . 51624 1 1396 . 1 . 1 118 118 SER C C 13 173.506 0.019 . 1 . . . . . 566 S C . 51624 1 1397 . 1 . 1 118 118 SER CA C 13 59.058 0.157 . 1 . . . . . 566 S CA . 51624 1 1398 . 1 . 1 118 118 SER CB C 13 64.383 0.173 . 1 . . . . . 566 S CB . 51624 1 1399 . 1 . 1 118 118 SER N N 15 115.744 0.116 . 1 . . . . . 566 S N . 51624 1 1400 . 1 . 1 119 119 ASP H H 1 7.994 0.006 . 1 . . . . . 567 D H . 51624 1 1401 . 1 . 1 119 119 ASP HA H 1 4.452 0.01 . 1 . . . . . 567 D HA . 51624 1 1402 . 1 . 1 119 119 ASP HB2 H 1 2.606 0.018 . 2 . . . . . 567 D HB2 . 51624 1 1403 . 1 . 1 119 119 ASP HB3 H 1 2.664 0.005 . 2 . . . . . 567 D HB3 . 51624 1 1404 . 1 . 1 119 119 ASP C C 13 181.214 0.2 . 1 . . . . . 567 D C . 51624 1 1405 . 1 . 1 119 119 ASP CA C 13 56.503 0.196 . 1 . . . . . 567 D CA . 51624 1 1406 . 1 . 1 119 119 ASP CB C 13 42.136 0.115 . 1 . . . . . 567 D CB . 51624 1 1407 . 1 . 1 119 119 ASP N N 15 128.149 0.072 . 1 . . . . . 567 D N . 51624 1 1408 . 2 . 2 3 3 ASP HA H 1 4.714 0.005 . 1 . . . . . 526 D HA . 51624 1 1409 . 2 . 2 3 3 ASP C C 13 176.124 0.045 . 1 . . . . . 526 D C . 51624 1 1410 . 2 . 2 3 3 ASP CA C 13 54.522 0.113 . 1 . . . . . 526 D CA . 51624 1 1411 . 2 . 2 3 3 ASP CB C 13 41.024 0.04 . 1 . . . . . 526 D CB . 51624 1 1412 . 2 . 2 4 4 VAL H H 1 8.188 0.006 . 1 . . . . . 527 V H . 51624 1 1413 . 2 . 2 4 4 VAL HA H 1 4.202 0.006 . 1 . . . . . 527 V HA . 51624 1 1414 . 2 . 2 4 4 VAL HB H 1 2.142 0.013 . 1 . . . . . 527 V HB . 51624 1 1415 . 2 . 2 4 4 VAL HG11 H 1 0.931 0.02 . 1 . . . . . 527 V MG1 . 51624 1 1416 . 2 . 2 4 4 VAL HG12 H 1 0.931 0.02 . 1 . . . . . 527 V MG1 . 51624 1 1417 . 2 . 2 4 4 VAL HG13 H 1 0.931 0.02 . 1 . . . . . 527 V MG1 . 51624 1 1418 . 2 . 2 4 4 VAL HG21 H 1 0.932 0.004 . 1 . . . . . 527 V MG2 . 51624 1 1419 . 2 . 2 4 4 VAL HG22 H 1 0.932 0.004 . 1 . . . . . 527 V MG2 . 51624 1 1420 . 2 . 2 4 4 VAL HG23 H 1 0.932 0.004 . 1 . . . . . 527 V MG2 . 51624 1 1421 . 2 . 2 4 4 VAL C C 13 175.938 0.011 . 1 . . . . . 527 V C . 51624 1 1422 . 2 . 2 4 4 VAL CA C 13 62.077 0.035 . 1 . . . . . 527 V CA . 51624 1 1423 . 2 . 2 4 4 VAL CB C 13 32.084 0.458 . 1 . . . . . 527 V CB . 51624 1 1424 . 2 . 2 4 4 VAL CG1 C 13 21.22 0.048 . 1 . . . . . 527 V CG1 . 51624 1 1425 . 2 . 2 4 4 VAL CG2 C 13 20.107 0.052 . 1 . . . . . 527 V CG2 . 51624 1 1426 . 2 . 2 4 4 VAL N N 15 119.77 0.145 . 1 . . . . . 527 V N . 51624 1 1427 . 2 . 2 5 5 SER H H 1 8.339 0.008 . 1 . . . . . 528 S H . 51624 1 1428 . 2 . 2 5 5 SER HA H 1 4.425 0.005 . 1 . . . . . 528 S HA . 51624 1 1429 . 2 . 2 5 5 SER HB2 H 1 3.613 0.013 . 1 . . . . . 528 S QB . 51624 1 1430 . 2 . 2 5 5 SER HB3 H 1 3.613 0.013 . 1 . . . . . 528 S QB . 51624 1 1431 . 2 . 2 5 5 SER C C 13 174.046 0.025 . 1 . . . . . 528 S C . 51624 1 1432 . 2 . 2 5 5 SER CA C 13 58.496 0.187 . 1 . . . . . 528 S CA . 51624 1 1433 . 2 . 2 5 5 SER CB C 13 63.826 0.168 . 1 . . . . . 528 S CB . 51624 1 1434 . 2 . 2 5 5 SER N N 15 119.598 0.135 . 1 . . . . . 528 S N . 51624 1 1435 . 2 . 2 6 6 MET H H 1 8.116 0.011 . 1 . . . . . 529 M H . 51624 1 1436 . 2 . 2 6 6 MET HA H 1 4.417 0.008 . 1 . . . . . 529 M HA . 51624 1 1437 . 2 . 2 6 6 MET HB2 H 1 1.945 0.007 . 2 . . . . . 529 M HB2 . 51624 1 1438 . 2 . 2 6 6 MET HB3 H 1 1.668 0.018 . 2 . . . . . 529 M HB3 . 51624 1 1439 . 2 . 2 6 6 MET HG2 H 1 2.277 0.02 . 1 . . . . . 529 M QG . 51624 1 1440 . 2 . 2 6 6 MET HG3 H 1 2.277 0.02 . 1 . . . . . 529 M QG . 51624 1 1441 . 2 . 2 6 6 MET HE1 H 1 1.962 0.02 . 1 . . . . . 529 M ME . 51624 1 1442 . 2 . 2 6 6 MET HE2 H 1 1.962 0.02 . 1 . . . . . 529 M ME . 51624 1 1443 . 2 . 2 6 6 MET HE3 H 1 1.962 0.02 . 1 . . . . . 529 M ME . 51624 1 1444 . 2 . 2 6 6 MET C C 13 175.921 0.06 . 1 . . . . . 529 M C . 51624 1 1445 . 2 . 2 6 6 MET CA C 13 55.576 0.148 . 1 . . . . . 529 M CA . 51624 1 1446 . 2 . 2 6 6 MET CB C 13 32.757 0.185 . 1 . . . . . 529 M CB . 51624 1 1447 . 2 . 2 6 6 MET CE C 13 17.125 0.2 . 1 . . . . . 529 M CE . 51624 1 1448 . 2 . 2 6 6 MET N N 15 121.1 0.178 . 1 . . . . . 529 M N . 51624 1 1449 . 2 . 2 7 7 GLY H H 1 8.035 0.008 . 1 . . . . . 530 G H . 51624 1 1450 . 2 . 2 7 7 GLY HA2 H 1 3.866 0.005 . 2 . . . . . 530 G HA2 . 51624 1 1451 . 2 . 2 7 7 GLY HA3 H 1 3.962 0.007 . 2 . . . . . 530 G HA3 . 51624 1 1452 . 2 . 2 7 7 GLY C C 13 172.134 0.021 . 1 . . . . . 530 G C . 51624 1 1453 . 2 . 2 7 7 GLY CA C 13 44.787 0.096 . 1 . . . . . 530 G CA . 51624 1 1454 . 2 . 2 7 7 GLY N N 15 109.692 0.072 . 1 . . . . . 530 G N . 51624 1 1455 . 2 . 2 8 8 MET H H 1 8.055 0.005 . 1 . . . . . 531 M H . 51624 1 1456 . 2 . 2 8 8 MET HA H 1 5.418 0.012 . 1 . . . . . 531 M HA . 51624 1 1457 . 2 . 2 8 8 MET HB2 H 1 1.89 0.019 . 1 . . . . . 531 M QB . 51624 1 1458 . 2 . 2 8 8 MET HB3 H 1 1.89 0.019 . 1 . . . . . 531 M QB . 51624 1 1459 . 2 . 2 8 8 MET HG2 H 1 2.362 0.019 . 1 . . . . . 531 M QG . 51624 1 1460 . 2 . 2 8 8 MET HG3 H 1 2.362 0.019 . 1 . . . . . 531 M QG . 51624 1 1461 . 2 . 2 8 8 MET HE1 H 1 1.897 0.001 . 1 . . . . . 531 M ME . 51624 1 1462 . 2 . 2 8 8 MET HE2 H 1 1.897 0.001 . 1 . . . . . 531 M ME . 51624 1 1463 . 2 . 2 8 8 MET HE3 H 1 1.897 0.001 . 1 . . . . . 531 M ME . 51624 1 1464 . 2 . 2 8 8 MET C C 13 176.978 0.009 . 1 . . . . . 531 M C . 51624 1 1465 . 2 . 2 8 8 MET CA C 13 53.523 0.117 . 1 . . . . . 531 M CA . 51624 1 1466 . 2 . 2 8 8 MET CB C 13 33.358 0.099 . 1 . . . . . 531 M CB . 51624 1 1467 . 2 . 2 8 8 MET CE C 13 16.358 0.312 . 1 . . . . . 531 M CE . 51624 1 1468 . 2 . 2 8 8 MET N N 15 118.576 0.156 . 1 . . . . . 531 M N . 51624 1 1469 . 2 . 2 9 9 VAL H H 1 9.107 0.005 . 1 . . . . . 532 V H . 51624 1 1470 . 2 . 2 9 9 VAL HA H 1 4.82 0.031 . 1 . . . . . 532 V HA . 51624 1 1471 . 2 . 2 9 9 VAL HB H 1 1.903 0.032 . 1 . . . . . 532 V HB . 51624 1 1472 . 2 . 2 9 9 VAL HG11 H 1 0.683 0.011 . 1 . . . . . 532 V MG1 . 51624 1 1473 . 2 . 2 9 9 VAL HG12 H 1 0.683 0.011 . 1 . . . . . 532 V MG1 . 51624 1 1474 . 2 . 2 9 9 VAL HG13 H 1 0.683 0.011 . 1 . . . . . 532 V MG1 . 51624 1 1475 . 2 . 2 9 9 VAL HG21 H 1 0.563 0.007 . 1 . . . . . 532 V MG2 . 51624 1 1476 . 2 . 2 9 9 VAL HG22 H 1 0.563 0.007 . 1 . . . . . 532 V MG2 . 51624 1 1477 . 2 . 2 9 9 VAL HG23 H 1 0.563 0.007 . 1 . . . . . 532 V MG2 . 51624 1 1478 . 2 . 2 9 9 VAL C C 13 174.403 0.011 . 1 . . . . . 532 V C . 51624 1 1479 . 2 . 2 9 9 VAL CA C 13 58.691 0.146 . 1 . . . . . 532 V CA . 51624 1 1480 . 2 . 2 9 9 VAL CB C 13 35.756 0.3 . 1 . . . . . 532 V CB . 51624 1 1481 . 2 . 2 9 9 VAL CG1 C 13 22.439 0.175 . 1 . . . . . 532 V CG1 . 51624 1 1482 . 2 . 2 9 9 VAL CG2 C 13 18.714 0.075 . 1 . . . . . 532 V CG2 . 51624 1 1483 . 2 . 2 9 9 VAL N N 15 115.589 0.055 . 1 . . . . . 532 V N . 51624 1 1484 . 2 . 2 10 10 LYS H H 1 8.739 0.005 . 1 . . . . . 533 K H . 51624 1 1485 . 2 . 2 10 10 LYS HA H 1 4.711 0.008 . 1 . . . . . 533 K HA . 51624 1 1486 . 2 . 2 10 10 LYS HB2 H 1 1.8 0.001 . 2 . . . . . 533 K HB2 . 51624 1 1487 . 2 . 2 10 10 LYS HB3 H 1 1.93 0.02 . 2 . . . . . 533 K HB3 . 51624 1 1488 . 2 . 2 10 10 LYS HG2 H 1 1.487 0.004 . 1 . . . . . 533 K QG . 51624 1 1489 . 2 . 2 10 10 LYS HG3 H 1 1.487 0.004 . 1 . . . . . 533 K QG . 51624 1 1490 . 2 . 2 10 10 LYS HD2 H 1 1.643 0.002 . 1 . . . . . 533 K QD . 51624 1 1491 . 2 . 2 10 10 LYS HD3 H 1 1.643 0.002 . 1 . . . . . 533 K QD . 51624 1 1492 . 2 . 2 10 10 LYS C C 13 175.472 0.013 . 1 . . . . . 533 K C . 51624 1 1493 . 2 . 2 10 10 LYS CA C 13 55.262 0.179 . 1 . . . . . 533 K CA . 51624 1 1494 . 2 . 2 10 10 LYS CB C 13 33.645 0.187 . 1 . . . . . 533 K CB . 51624 1 1495 . 2 . 2 10 10 LYS N N 15 120.858 0.102 . 1 . . . . . 533 K N . 51624 1 1496 . 2 . 2 11 11 LEU H H 1 8.166 0.018 . 1 . . . . . 534 L H . 51624 1 1497 . 2 . 2 11 11 LEU HA H 1 4.869 0.023 . 1 . . . . . 534 L HA . 51624 1 1498 . 2 . 2 11 11 LEU HB2 H 1 1.48 0.011 . 1 . . . . . 534 L QB . 51624 1 1499 . 2 . 2 11 11 LEU HB3 H 1 1.48 0.011 . 1 . . . . . 534 L QB . 51624 1 1500 . 2 . 2 11 11 LEU HG H 1 1.145 0.008 . 1 . . . . . 534 L HG . 51624 1 1501 . 2 . 2 11 11 LEU HD11 H 1 0.171 0.036 . 1 . . . . . 534 L MD1 . 51624 1 1502 . 2 . 2 11 11 LEU HD12 H 1 0.171 0.036 . 1 . . . . . 534 L MD1 . 51624 1 1503 . 2 . 2 11 11 LEU HD13 H 1 0.171 0.036 . 1 . . . . . 534 L MD1 . 51624 1 1504 . 2 . 2 11 11 LEU HD21 H 1 -0.078 0.005 . 1 . . . . . 534 L MD2 . 51624 1 1505 . 2 . 2 11 11 LEU HD22 H 1 -0.078 0.005 . 1 . . . . . 534 L MD2 . 51624 1 1506 . 2 . 2 11 11 LEU HD23 H 1 -0.078 0.005 . 1 . . . . . 534 L MD2 . 51624 1 1507 . 2 . 2 11 11 LEU C C 13 177.583 0.022 . 1 . . . . . 534 L C . 51624 1 1508 . 2 . 2 11 11 LEU CA C 13 53.547 0.093 . 1 . . . . . 534 L CA . 51624 1 1509 . 2 . 2 11 11 LEU CB C 13 41.236 0.373 . 1 . . . . . 534 L CB . 51624 1 1510 . 2 . 2 11 11 LEU CG C 13 26.02 0.067 . 1 . . . . . 534 L CG . 51624 1 1511 . 2 . 2 11 11 LEU CD1 C 13 24.85 0.072 . 1 . . . . . 534 L CD1 . 51624 1 1512 . 2 . 2 11 11 LEU CD2 C 13 21.922 0.102 . 1 . . . . . 534 L CD2 . 51624 1 1513 . 2 . 2 11 11 LEU N N 15 120.389 0.125 . 1 . . . . . 534 L N . 51624 1 1514 . 2 . 2 12 12 ASP H H 1 7.952 0.005 . 1 . . . . . 535 D H . 51624 1 1515 . 2 . 2 12 12 ASP HA H 1 4.861 0.013 . 1 . . . . . 535 D HA . 51624 1 1516 . 2 . 2 12 12 ASP HB2 H 1 2.865 0.001 . 2 . . . . . 535 D HB2 . 51624 1 1517 . 2 . 2 12 12 ASP HB3 H 1 3.359 0.007 . 2 . . . . . 535 D HB3 . 51624 1 1518 . 2 . 2 12 12 ASP C C 13 177.043 0.023 . 1 . . . . . 535 D C . 51624 1 1519 . 2 . 2 12 12 ASP CA C 13 52.506 0.017 . 1 . . . . . 535 D CA . 51624 1 1520 . 2 . 2 12 12 ASP CB C 13 42.915 0.11 . 1 . . . . . 535 D CB . 51624 1 1521 . 2 . 2 12 12 ASP N N 15 122.358 0.184 . 1 . . . . . 535 D N . 51624 1 1522 . 2 . 2 13 13 LYS H H 1 8.163 0.009 . 1 . . . . . 536 K H . 51624 1 1523 . 2 . 2 13 13 LYS HA H 1 4.228 0.006 . 1 . . . . . 536 K HA . 51624 1 1524 . 2 . 2 13 13 LYS HB2 H 1 1.917 0.003 . 1 . . . . . 536 K QB . 51624 1 1525 . 2 . 2 13 13 LYS HB3 H 1 1.917 0.003 . 1 . . . . . 536 K QB . 51624 1 1526 . 2 . 2 13 13 LYS HG2 H 1 1.503 0.003 . 1 . . . . . 536 K QG . 51624 1 1527 . 2 . 2 13 13 LYS HG3 H 1 1.503 0.003 . 1 . . . . . 536 K QG . 51624 1 1528 . 2 . 2 13 13 LYS HD2 H 1 1.698 0.01 . 1 . . . . . 536 K QD . 51624 1 1529 . 2 . 2 13 13 LYS HD3 H 1 1.698 0.01 . 1 . . . . . 536 K QD . 51624 1 1530 . 2 . 2 13 13 LYS C C 13 179.171 0.111 . 1 . . . . . 536 K C . 51624 1 1531 . 2 . 2 13 13 LYS CA C 13 57.755 0.162 . 1 . . . . . 536 K CA . 51624 1 1532 . 2 . 2 13 13 LYS CB C 13 31.87 0.252 . 1 . . . . . 536 K CB . 51624 1 1533 . 2 . 2 13 13 LYS N N 15 115.899 0.082 . 1 . . . . . 536 K N . 51624 1 1534 . 2 . 2 14 14 GLY H H 1 8.474 0.005 . 1 . . . . . 537 G H . 51624 1 1535 . 2 . 2 14 14 GLY HA2 H 1 4.049 0.008 . 2 . . . . . 537 G HA2 . 51624 1 1536 . 2 . 2 14 14 GLY HA3 H 1 3.859 0.006 . 2 . . . . . 537 G HA3 . 51624 1 1537 . 2 . 2 14 14 GLY C C 13 176.57 0.001 . 1 . . . . . 537 G C . 51624 1 1538 . 2 . 2 14 14 GLY CA C 13 46.981 0.052 . 1 . . . . . 537 G CA . 51624 1 1539 . 2 . 2 14 14 GLY N N 15 109.711 0.067 . 1 . . . . . 537 G N . 51624 1 1540 . 2 . 2 15 15 PHE H H 1 7.523 0.012 . 1 . . . . . 538 F H . 51624 1 1541 . 2 . 2 15 15 PHE HA H 1 4.019 0.011 . 1 . . . . . 538 F HA . 51624 1 1542 . 2 . 2 15 15 PHE HB2 H 1 3.037 0.012 . 2 . . . . . 538 F HB2 . 51624 1 1543 . 2 . 2 15 15 PHE HB3 H 1 2.943 0.012 . 2 . . . . . 538 F HB3 . 51624 1 1544 . 2 . 2 15 15 PHE HD1 H 1 7.396 0.012 . 1 . . . . . 538 F QD . 51624 1 1545 . 2 . 2 15 15 PHE HD2 H 1 7.396 0.012 . 1 . . . . . 538 F QD . 51624 1 1546 . 2 . 2 15 15 PHE HE1 H 1 6.258 0.007 . 1 . . . . . 538 F QE . 51624 1 1547 . 2 . 2 15 15 PHE HE2 H 1 6.258 0.007 . 1 . . . . . 538 F QE . 51624 1 1548 . 2 . 2 15 15 PHE C C 13 177.777 0.006 . 1 . . . . . 538 F C . 51624 1 1549 . 2 . 2 15 15 PHE CA C 13 62.01 0.064 . 1 . . . . . 538 F CA . 51624 1 1550 . 2 . 2 15 15 PHE CB C 13 38.111 0.016 . 1 . . . . . 538 F CB . 51624 1 1551 . 2 . 2 15 15 PHE N N 15 117.485 0.05 . 1 . . . . . 538 F N . 51624 1 1552 . 2 . 2 16 16 ASP H H 1 8.082 0.006 . 1 . . . . . 539 D H . 51624 1 1553 . 2 . 2 16 16 ASP HA H 1 4.719 0.016 . 1 . . . . . 539 D HA . 51624 1 1554 . 2 . 2 16 16 ASP HB2 H 1 2.811 0.01 . 1 . . . . . 539 D QB . 51624 1 1555 . 2 . 2 16 16 ASP HB3 H 1 2.811 0.01 . 1 . . . . . 539 D QB . 51624 1 1556 . 2 . 2 16 16 ASP C C 13 176.6 0.045 . 1 . . . . . 539 D C . 51624 1 1557 . 2 . 2 16 16 ASP CA C 13 56.207 0.097 . 1 . . . . . 539 D CA . 51624 1 1558 . 2 . 2 16 16 ASP CB C 13 39.98 0.154 . 1 . . . . . 539 D CB . 51624 1 1559 . 2 . 2 16 16 ASP N N 15 120.331 0.102 . 1 . . . . . 539 D N . 51624 1 1560 . 2 . 2 17 17 ALA H H 1 7.169 0.008 . 1 . . . . . 540 A H . 51624 1 1561 . 2 . 2 17 17 ALA HA H 1 4.528 0.014 . 1 . . . . . 540 A HA . 51624 1 1562 . 2 . 2 17 17 ALA HB1 H 1 1.407 0.016 . 1 . . . . . 540 A MB . 51624 1 1563 . 2 . 2 17 17 ALA HB2 H 1 1.407 0.016 . 1 . . . . . 540 A MB . 51624 1 1564 . 2 . 2 17 17 ALA HB3 H 1 1.407 0.016 . 1 . . . . . 540 A MB . 51624 1 1565 . 2 . 2 17 17 ALA C C 13 177.656 0.017 . 1 . . . . . 540 A C . 51624 1 1566 . 2 . 2 17 17 ALA CA C 13 51.713 0.285 . 1 . . . . . 540 A CA . 51624 1 1567 . 2 . 2 17 17 ALA CB C 13 19.38 0.252 . 1 . . . . . 540 A CB . 51624 1 1568 . 2 . 2 17 17 ALA N N 15 119.706 0.084 . 1 . . . . . 540 A N . 51624 1 1569 . 2 . 2 18 18 LEU H H 1 6.641 0.02 . 1 . . . . . 541 L H . 51624 1 1570 . 2 . 2 18 18 LEU HA H 1 4.101 0.024 . 1 . . . . . 541 L HA . 51624 1 1571 . 2 . 2 18 18 LEU HB2 H 1 1.492 0.023 . 2 . . . . . 541 L HB2 . 51624 1 1572 . 2 . 2 18 18 LEU HB3 H 1 1.236 0.004 . 2 . . . . . 541 L HB3 . 51624 1 1573 . 2 . 2 18 18 LEU HD11 H 1 0.793 0.008 . 1 . . . . . 541 L MD1 . 51624 1 1574 . 2 . 2 18 18 LEU HD12 H 1 0.793 0.008 . 1 . . . . . 541 L MD1 . 51624 1 1575 . 2 . 2 18 18 LEU HD13 H 1 0.793 0.008 . 1 . . . . . 541 L MD1 . 51624 1 1576 . 2 . 2 18 18 LEU HD21 H 1 0.668 0.01 . 1 . . . . . 541 L MD2 . 51624 1 1577 . 2 . 2 18 18 LEU HD22 H 1 0.668 0.01 . 1 . . . . . 541 L MD2 . 51624 1 1578 . 2 . 2 18 18 LEU HD23 H 1 0.668 0.01 . 1 . . . . . 541 L MD2 . 51624 1 1579 . 2 . 2 18 18 LEU C C 13 175.126 0.008 . 1 . . . . . 541 L C . 51624 1 1580 . 2 . 2 18 18 LEU CA C 13 54.412 0.033 . 1 . . . . . 541 L CA . 51624 1 1581 . 2 . 2 18 18 LEU CB C 13 41.674 0.176 . 1 . . . . . 541 L CB . 51624 1 1582 . 2 . 2 18 18 LEU CD1 C 13 26.219 0.028 . 1 . . . . . 541 L CD1 . 51624 1 1583 . 2 . 2 18 18 LEU CD2 C 13 21.005 0.049 . 1 . . . . . 541 L CD2 . 51624 1 1584 . 2 . 2 18 18 LEU N N 15 117.216 0.057 . 1 . . . . . 541 L N . 51624 1 1585 . 2 . 2 19 19 ASN H H 1 8.657 0.009 . 1 . . . . . 542 N H . 51624 1 1586 . 2 . 2 19 19 ASN HA H 1 4.886 0.006 . 1 . . . . . 542 N HA . 51624 1 1587 . 2 . 2 19 19 ASN HB2 H 1 2.777 0.009 . 2 . . . . . 542 N HB2 . 51624 1 1588 . 2 . 2 19 19 ASN HB3 H 1 2.688 0.013 . 2 . . . . . 542 N HB3 . 51624 1 1589 . 2 . 2 19 19 ASN HD21 H 1 7.621 0.01 . 2 . . . . . 542 N HD21 . 51624 1 1590 . 2 . 2 19 19 ASN HD22 H 1 6.81 0.003 . 2 . . . . . 542 N HD22 . 51624 1 1591 . 2 . 2 19 19 ASN C C 13 174.423 0.033 . 1 . . . . . 542 N C . 51624 1 1592 . 2 . 2 19 19 ASN CA C 13 51.731 0.345 . 1 . . . . . 542 N CA . 51624 1 1593 . 2 . 2 19 19 ASN CB C 13 37.796 0.253 . 1 . . . . . 542 N CB . 51624 1 1594 . 2 . 2 19 19 ASN N N 15 119.442 0.146 . 1 . . . . . 542 N N . 51624 1 1595 . 2 . 2 19 19 ASN ND2 N 15 112.62 0.018 . 1 . . . . . 542 N ND2 . 51624 1 1596 . 2 . 2 20 20 TYR H H 1 8.079 0.009 . 1 . . . . . 543 Y H . 51624 1 1597 . 2 . 2 20 20 TYR HA H 1 4.447 0.01 . 1 . . . . . 543 Y HA . 51624 1 1598 . 2 . 2 20 20 TYR HB2 H 1 2.813 0.007 . 1 . . . . . 543 Y QB . 51624 1 1599 . 2 . 2 20 20 TYR HB3 H 1 2.813 0.007 . 1 . . . . . 543 Y QB . 51624 1 1600 . 2 . 2 20 20 TYR HD1 H 1 6.944 0.007 . 1 . . . . . 543 Y QD . 51624 1 1601 . 2 . 2 20 20 TYR HD2 H 1 6.944 0.007 . 1 . . . . . 543 Y QD . 51624 1 1602 . 2 . 2 20 20 TYR HE1 H 1 6.795 0.01 . 1 . . . . . 543 Y QE . 51624 1 1603 . 2 . 2 20 20 TYR HE2 H 1 6.795 0.01 . 1 . . . . . 543 Y QE . 51624 1 1604 . 2 . 2 20 20 TYR C C 13 176.816 0.014 . 1 . . . . . 543 Y C . 51624 1 1605 . 2 . 2 20 20 TYR CA C 13 59.359 0.152 . 1 . . . . . 543 Y CA . 51624 1 1606 . 2 . 2 20 20 TYR CB C 13 39.321 0.184 . 1 . . . . . 543 Y CB . 51624 1 1607 . 2 . 2 20 20 TYR CE1 C 13 118.218 0.2 . 1 . . . . . 543 Y CE1 . 51624 1 1608 . 2 . 2 20 20 TYR CE2 C 13 118.218 0.2 . 1 . . . . . 543 Y CE2 . 51624 1 1609 . 2 . 2 20 20 TYR N N 15 122.117 0.072 . 1 . . . . . 543 Y N . 51624 1 1610 . 2 . 2 21 21 ARG H H 1 9.263 0.008 . 1 . . . . . 544 R H . 51624 1 1611 . 2 . 2 21 21 ARG HA H 1 4.697 0.018 . 1 . . . . . 544 R HA . 51624 1 1612 . 2 . 2 21 21 ARG HB2 H 1 1.941 0.006 . 2 . . . . . 544 R HB2 . 51624 1 1613 . 2 . 2 21 21 ARG HB3 H 1 1.786 0.006 . 2 . . . . . 544 R HB3 . 51624 1 1614 . 2 . 2 21 21 ARG HG2 H 1 1.597 0.002 . 2 . . . . . 544 R HG2 . 51624 1 1615 . 2 . 2 21 21 ARG HG3 H 1 1.54 0.009 . 2 . . . . . 544 R HG3 . 51624 1 1616 . 2 . 2 21 21 ARG HD2 H 1 3.287 0.006 . 1 . . . . . 544 R QD . 51624 1 1617 . 2 . 2 21 21 ARG HD3 H 1 3.287 0.006 . 1 . . . . . 544 R QD . 51624 1 1618 . 2 . 2 21 21 ARG C C 13 174.886 0.009 . 1 . . . . . 544 R C . 51624 1 1619 . 2 . 2 21 21 ARG CA C 13 53.398 0.136 . 1 . . . . . 544 R CA . 51624 1 1620 . 2 . 2 21 21 ARG CB C 13 32.027 0.155 . 1 . . . . . 544 R CB . 51624 1 1621 . 2 . 2 21 21 ARG N N 15 122.567 0.1 . 1 . . . . . 544 R N . 51624 1 1622 . 2 . 2 22 22 ALA H H 1 8.371 0.007 . 1 . . . . . 545 A H . 51624 1 1623 . 2 . 2 22 22 ALA HA H 1 5.298 0.008 . 1 . . . . . 545 A HA . 51624 1 1624 . 2 . 2 22 22 ALA HB1 H 1 1.357 0.01 . 1 . . . . . 545 A MB . 51624 1 1625 . 2 . 2 22 22 ALA HB2 H 1 1.357 0.01 . 1 . . . . . 545 A MB . 51624 1 1626 . 2 . 2 22 22 ALA HB3 H 1 1.357 0.01 . 1 . . . . . 545 A MB . 51624 1 1627 . 2 . 2 22 22 ALA C C 13 178.33 0.009 . 1 . . . . . 545 A C . 51624 1 1628 . 2 . 2 22 22 ALA CA C 13 51.411 0.185 . 1 . . . . . 545 A CA . 51624 1 1629 . 2 . 2 22 22 ALA CB C 13 20.942 0.281 . 1 . . . . . 545 A CB . 51624 1 1630 . 2 . 2 22 22 ALA N N 15 123.742 0.088 . 1 . . . . . 545 A N . 51624 1 1631 . 2 . 2 23 23 ILE H H 1 8.061 0.01 . 1 . . . . . 546 I H . 51624 1 1632 . 2 . 2 23 23 ILE HA H 1 3.999 0.018 . 1 . . . . . 546 I HA . 51624 1 1633 . 2 . 2 23 23 ILE HB H 1 1.422 0.017 . 1 . . . . . 546 I HB . 51624 1 1634 . 2 . 2 23 23 ILE HG12 H 1 1.054 0.021 . 2 . . . . . 546 I HG12 . 51624 1 1635 . 2 . 2 23 23 ILE HG13 H 1 0.483 0.012 . 2 . . . . . 546 I HG13 . 51624 1 1636 . 2 . 2 23 23 ILE HG21 H 1 0.683 0.009 . 1 . . . . . 546 I MG . 51624 1 1637 . 2 . 2 23 23 ILE HG22 H 1 0.683 0.009 . 1 . . . . . 546 I MG . 51624 1 1638 . 2 . 2 23 23 ILE HG23 H 1 0.683 0.009 . 1 . . . . . 546 I MG . 51624 1 1639 . 2 . 2 23 23 ILE HD11 H 1 -0.02 0.01 . 1 . . . . . 546 I MD . 51624 1 1640 . 2 . 2 23 23 ILE HD12 H 1 -0.02 0.01 . 1 . . . . . 546 I MD . 51624 1 1641 . 2 . 2 23 23 ILE HD13 H 1 -0.02 0.01 . 1 . . . . . 546 I MD . 51624 1 1642 . 2 . 2 23 23 ILE C C 13 176.373 0.429 . 1 . . . . . 546 I C . 51624 1 1643 . 2 . 2 23 23 ILE CA C 13 62.209 0.177 . 1 . . . . . 546 I CA . 51624 1 1644 . 2 . 2 23 23 ILE CB C 13 38.944 0.133 . 1 . . . . . 546 I CB . 51624 1 1645 . 2 . 2 23 23 ILE CG1 C 13 27.357 0.121 . 1 . . . . . 546 I CG1 . 51624 1 1646 . 2 . 2 23 23 ILE CG2 C 13 16.799 0.139 . 1 . . . . . 546 I CG2 . 51624 1 1647 . 2 . 2 23 23 ILE CD1 C 13 13.335 0.089 . 1 . . . . . 546 I CD1 . 51624 1 1648 . 2 . 2 23 23 ILE N N 15 121.974 0.147 . 1 . . . . . 546 I N . 51624 1 1649 . 2 . 2 24 24 GLY H H 1 9.079 0.005 . 1 . . . . . 547 G H . 51624 1 1650 . 2 . 2 24 24 GLY HA2 H 1 4.181 0.015 . 2 . . . . . 547 G HA2 . 51624 1 1651 . 2 . 2 24 24 GLY HA3 H 1 3.673 0.013 . 2 . . . . . 547 G HA3 . 51624 1 1652 . 2 . 2 24 24 GLY C C 13 176.046 0.2 . 1 . . . . . 547 G C . 51624 1 1653 . 2 . 2 24 24 GLY CA C 13 47.1 0.1 . 1 . . . . . 547 G CA . 51624 1 1654 . 2 . 2 24 24 GLY N N 15 116.743 0.069 . 1 . . . . . 547 G N . 51624 1 1655 . 2 . 2 25 25 THR H H 1 8.736 0.004 . 1 . . . . . 548 T H . 51624 1 1656 . 2 . 2 25 25 THR HA H 1 4.323 0.019 . 1 . . . . . 548 T HA . 51624 1 1657 . 2 . 2 25 25 THR HB H 1 4.593 0.011 . 1 . . . . . 548 T HB . 51624 1 1658 . 2 . 2 25 25 THR HG21 H 1 1.193 0.009 . 1 . . . . . 548 T MG . 51624 1 1659 . 2 . 2 25 25 THR HG22 H 1 1.193 0.009 . 1 . . . . . 548 T MG . 51624 1 1660 . 2 . 2 25 25 THR HG23 H 1 1.193 0.009 . 1 . . . . . 548 T MG . 51624 1 1661 . 2 . 2 25 25 THR C C 13 174.561 0.2 . 1 . . . . . 548 T C . 51624 1 1662 . 2 . 2 25 25 THR CA C 13 61.759 0.253 . 1 . . . . . 548 T CA . 51624 1 1663 . 2 . 2 25 25 THR CB C 13 68.675 0.191 . 1 . . . . . 548 T CB . 51624 1 1664 . 2 . 2 25 25 THR CG2 C 13 21.405 0.433 . 1 . . . . . 548 T CG2 . 51624 1 1665 . 2 . 2 25 25 THR N N 15 118.032 0.072 . 1 . . . . . 548 T N . 51624 1 1666 . 2 . 2 26 26 ASP H H 1 8.509 0.007 . 1 . . . . . 549 D H . 51624 1 1667 . 2 . 2 26 26 ASP HA H 1 5.195 0.008 . 1 . . . . . 549 D HA . 51624 1 1668 . 2 . 2 26 26 ASP HB2 H 1 2.563 0.012 . 2 . . . . . 549 D HB2 . 51624 1 1669 . 2 . 2 26 26 ASP HB3 H 1 3.131 0.009 . 2 . . . . . 549 D HB3 . 51624 1 1670 . 2 . 2 26 26 ASP C C 13 176.048 0.009 . 1 . . . . . 549 D C . 51624 1 1671 . 2 . 2 26 26 ASP CA C 13 54.262 0.032 . 1 . . . . . 549 D CA . 51624 1 1672 . 2 . 2 26 26 ASP CB C 13 41.832 0.094 . 1 . . . . . 549 D CB . 51624 1 1673 . 2 . 2 26 26 ASP N N 15 124.065 0.161 . 1 . . . . . 549 D N . 51624 1 1674 . 2 . 2 27 27 SER H H 1 9.155 0.009 . 1 . . . . . 550 S H . 51624 1 1675 . 2 . 2 27 27 SER HA H 1 5.304 0.01 . 1 . . . . . 550 S HA . 51624 1 1676 . 2 . 2 27 27 SER HB2 H 1 3.626 0.01 . 1 . . . . . 550 S QB . 51624 1 1677 . 2 . 2 27 27 SER HB3 H 1 3.626 0.01 . 1 . . . . . 550 S QB . 51624 1 1678 . 2 . 2 27 27 SER C C 13 174.086 0.031 . 1 . . . . . 550 S C . 51624 1 1679 . 2 . 2 27 27 SER CA C 13 57.304 0.173 . 1 . . . . . 550 S CA . 51624 1 1680 . 2 . 2 27 27 SER CB C 13 64.942 0.298 . 1 . . . . . 550 S CB . 51624 1 1681 . 2 . 2 27 27 SER N N 15 117.854 0.096 . 1 . . . . . 550 S N . 51624 1 1682 . 2 . 2 28 28 VAL H H 1 9.225 0.008 . 1 . . . . . 551 V H . 51624 1 1683 . 2 . 2 28 28 VAL HA H 1 5.905 0.009 . 1 . . . . . 551 V HA . 51624 1 1684 . 2 . 2 28 28 VAL HB H 1 1.849 0.013 . 1 . . . . . 551 V HB . 51624 1 1685 . 2 . 2 28 28 VAL HG11 H 1 0.795 0.014 . 1 . . . . . 551 V MG1 . 51624 1 1686 . 2 . 2 28 28 VAL HG12 H 1 0.795 0.014 . 1 . . . . . 551 V MG1 . 51624 1 1687 . 2 . 2 28 28 VAL HG13 H 1 0.795 0.014 . 1 . . . . . 551 V MG1 . 51624 1 1688 . 2 . 2 28 28 VAL HG21 H 1 0.692 0.008 . 1 . . . . . 551 V MG2 . 51624 1 1689 . 2 . 2 28 28 VAL HG22 H 1 0.692 0.008 . 1 . . . . . 551 V MG2 . 51624 1 1690 . 2 . 2 28 28 VAL HG23 H 1 0.692 0.008 . 1 . . . . . 551 V MG2 . 51624 1 1691 . 2 . 2 28 28 VAL C C 13 174.342 0.022 . 1 . . . . . 551 V C . 51624 1 1692 . 2 . 2 28 28 VAL CA C 13 59.408 0.137 . 1 . . . . . 551 V CA . 51624 1 1693 . 2 . 2 28 28 VAL CB C 13 35.853 0.098 . 1 . . . . . 551 V CB . 51624 1 1694 . 2 . 2 28 28 VAL CG1 C 13 21.984 0.138 . 1 . . . . . 551 V CG1 . 51624 1 1695 . 2 . 2 28 28 VAL CG2 C 13 20.603 0.202 . 1 . . . . . 551 V CG2 . 51624 1 1696 . 2 . 2 28 28 VAL N N 15 119.797 0.102 . 1 . . . . . 551 V N . 51624 1 1697 . 2 . 2 29 29 ALA H H 1 8.583 0.006 . 1 . . . . . 552 A H . 51624 1 1698 . 2 . 2 29 29 ALA HA H 1 4.777 0.014 . 1 . . . . . 552 A HA . 51624 1 1699 . 2 . 2 29 29 ALA HB1 H 1 1.02 0.022 . 1 . . . . . 552 A MB . 51624 1 1700 . 2 . 2 29 29 ALA HB2 H 1 1.02 0.022 . 1 . . . . . 552 A MB . 51624 1 1701 . 2 . 2 29 29 ALA HB3 H 1 1.02 0.022 . 1 . . . . . 552 A MB . 51624 1 1702 . 2 . 2 29 29 ALA C C 13 175.387 0.033 . 1 . . . . . 552 A C . 51624 1 1703 . 2 . 2 29 29 ALA CA C 13 52.159 0.078 . 1 . . . . . 552 A CA . 51624 1 1704 . 2 . 2 29 29 ALA CB C 13 23.714 0.154 . 1 . . . . . 552 A CB . 51624 1 1705 . 2 . 2 29 29 ALA N N 15 122.052 0.098 . 1 . . . . . 552 A N . 51624 1 1706 . 2 . 2 30 30 SER H H 1 8.901 0.005 . 1 . . . . . 553 S H . 51624 1 1707 . 2 . 2 30 30 SER HA H 1 5.416 0.012 . 1 . . . . . 553 S HA . 51624 1 1708 . 2 . 2 30 30 SER HB2 H 1 3.751 0.011 . 1 . . . . . 553 S QB . 51624 1 1709 . 2 . 2 30 30 SER HB3 H 1 3.751 0.011 . 1 . . . . . 553 S QB . 51624 1 1710 . 2 . 2 30 30 SER C C 13 174.841 0.023 . 1 . . . . . 553 S C . 51624 1 1711 . 2 . 2 30 30 SER CA C 13 55.148 0.127 . 1 . . . . . 553 S CA . 51624 1 1712 . 2 . 2 30 30 SER CB C 13 65.078 0.092 . 1 . . . . . 553 S CB . 51624 1 1713 . 2 . 2 30 30 SER N N 15 115.313 0.073 . 1 . . . . . 553 S N . 51624 1 1714 . 2 . 2 31 31 PHE H H 1 8.895 0.006 . 1 . . . . . 554 F H . 51624 1 1715 . 2 . 2 31 31 PHE HA H 1 5.246 0.031 . 1 . . . . . 554 F HA . 51624 1 1716 . 2 . 2 31 31 PHE HB2 H 1 3.049 0.02 . 1 . . . . . 554 F QB . 51624 1 1717 . 2 . 2 31 31 PHE HB3 H 1 3.049 0.02 . 1 . . . . . 554 F QB . 51624 1 1718 . 2 . 2 31 31 PHE HD1 H 1 6.787 0.006 . 1 . . . . . 554 F QD . 51624 1 1719 . 2 . 2 31 31 PHE HD2 H 1 6.787 0.006 . 1 . . . . . 554 F QD . 51624 1 1720 . 2 . 2 31 31 PHE HE1 H 1 6.924 0.008 . 1 . . . . . 554 F QE . 51624 1 1721 . 2 . 2 31 31 PHE HE2 H 1 6.924 0.008 . 1 . . . . . 554 F QE . 51624 1 1722 . 2 . 2 31 31 PHE HZ H 1 7.256 0.007 . 1 . . . . . 554 F HZ . 51624 1 1723 . 2 . 2 31 31 PHE C C 13 171.962 0.012 . 1 . . . . . 554 F C . 51624 1 1724 . 2 . 2 31 31 PHE CA C 13 56.386 0.143 . 1 . . . . . 554 F CA . 51624 1 1725 . 2 . 2 31 31 PHE CB C 13 42.952 0.007 . 1 . . . . . 554 F CB . 51624 1 1726 . 2 . 2 31 31 PHE N N 15 121.82 0.069 . 1 . . . . . 554 F N . 51624 1 1727 . 2 . 2 32 32 ARG H H 1 8.121 0.007 . 1 . . . . . 555 R H . 51624 1 1728 . 2 . 2 32 32 ARG HA H 1 4.582 0.009 . 1 . . . . . 555 R HA . 51624 1 1729 . 2 . 2 32 32 ARG HB2 H 1 1.294 0.019 . 2 . . . . . 555 R HB2 . 51624 1 1730 . 2 . 2 32 32 ARG HB3 H 1 1.458 0.015 . 2 . . . . . 555 R HB3 . 51624 1 1731 . 2 . 2 32 32 ARG HG2 H 1 1.477 0.006 . 2 . . . . . 555 R HG2 . 51624 1 1732 . 2 . 2 32 32 ARG HG3 H 1 1.324 0.008 . 2 . . . . . 555 R HG3 . 51624 1 1733 . 2 . 2 32 32 ARG HD2 H 1 3.119 0.02 . 1 . . . . . 555 R QD . 51624 1 1734 . 2 . 2 32 32 ARG HD3 H 1 3.119 0.02 . 1 . . . . . 555 R QD . 51624 1 1735 . 2 . 2 32 32 ARG C C 13 175.411 0.041 . 1 . . . . . 555 R C . 51624 1 1736 . 2 . 2 32 32 ARG CA C 13 54.816 0.179 . 1 . . . . . 555 R CA . 51624 1 1737 . 2 . 2 32 32 ARG CB C 13 31.529 0.177 . 1 . . . . . 555 R CB . 51624 1 1738 . 2 . 2 32 32 ARG CG C 13 28.537 0.176 . 1 . . . . . 555 R CG . 51624 1 1739 . 2 . 2 32 32 ARG CD C 13 42.984 0.009 . 1 . . . . . 555 R CD . 51624 1 1740 . 2 . 2 32 32 ARG N N 15 120.69 0.074 . 1 . . . . . 555 R N . 51624 1 1741 . 2 . 2 33 33 GLY H H 1 8.652 0.007 . 1 . . . . . 556 G H . 51624 1 1742 . 2 . 2 33 33 GLY HA2 H 1 5.237 0.012 . 2 . . . . . 556 G HA2 . 51624 1 1743 . 2 . 2 33 33 GLY HA3 H 1 3.178 0.012 . 2 . . . . . 556 G HA3 . 51624 1 1744 . 2 . 2 33 33 GLY C C 13 171.091 0.035 . 1 . . . . . 556 G C . 51624 1 1745 . 2 . 2 33 33 GLY CA C 13 44.505 0.103 . 1 . . . . . 556 G CA . 51624 1 1746 . 2 . 2 33 33 GLY N N 15 113.247 0.078 . 1 . . . . . 556 G N . 51624 1 1747 . 2 . 2 34 34 VAL H H 1 8.685 0.007 . 1 . . . . . 557 V H . 51624 1 1748 . 2 . 2 34 34 VAL HA H 1 4.605 0.012 . 1 . . . . . 557 V HA . 51624 1 1749 . 2 . 2 34 34 VAL HB H 1 1.893 0.021 . 1 . . . . . 557 V HB . 51624 1 1750 . 2 . 2 34 34 VAL HG11 H 1 0.898 0.019 . 1 . . . . . 557 V MG1 . 51624 1 1751 . 2 . 2 34 34 VAL HG12 H 1 0.898 0.019 . 1 . . . . . 557 V MG1 . 51624 1 1752 . 2 . 2 34 34 VAL HG13 H 1 0.898 0.019 . 1 . . . . . 557 V MG1 . 51624 1 1753 . 2 . 2 34 34 VAL HG21 H 1 0.808 0.005 . 1 . . . . . 557 V MG2 . 51624 1 1754 . 2 . 2 34 34 VAL HG22 H 1 0.808 0.005 . 1 . . . . . 557 V MG2 . 51624 1 1755 . 2 . 2 34 34 VAL HG23 H 1 0.808 0.005 . 1 . . . . . 557 V MG2 . 51624 1 1756 . 2 . 2 34 34 VAL C C 13 174.943 0.014 . 1 . . . . . 557 V C . 51624 1 1757 . 2 . 2 34 34 VAL CA C 13 61.264 0.113 . 1 . . . . . 557 V CA . 51624 1 1758 . 2 . 2 34 34 VAL CB C 13 35.099 0.04 . 1 . . . . . 557 V CB . 51624 1 1759 . 2 . 2 34 34 VAL CG1 C 13 21.475 0.2 . 1 . . . . . 557 V CG1 . 51624 1 1760 . 2 . 2 34 34 VAL CG2 C 13 21.602 0.2 . 1 . . . . . 557 V CG2 . 51624 1 1761 . 2 . 2 34 34 VAL N N 15 115.993 0.068 . 1 . . . . . 557 V N . 51624 1 1762 . 2 . 2 35 35 ARG H H 1 9.182 0.007 . 1 . . . . . 558 R H . 51624 1 1763 . 2 . 2 35 35 ARG HA H 1 5.008 0.016 . 1 . . . . . 558 R HA . 51624 1 1764 . 2 . 2 35 35 ARG HB2 H 1 2.095 0.006 . 1 . . . . . 558 R QB . 51624 1 1765 . 2 . 2 35 35 ARG HB3 H 1 2.095 0.006 . 1 . . . . . 558 R QB . 51624 1 1766 . 2 . 2 35 35 ARG HG2 H 1 1.635 0.008 . 1 . . . . . 558 R QG . 51624 1 1767 . 2 . 2 35 35 ARG HG3 H 1 1.635 0.008 . 1 . . . . . 558 R QG . 51624 1 1768 . 2 . 2 35 35 ARG HD2 H 1 3.123 0.006 . 2 . . . . . 558 R HD2 . 51624 1 1769 . 2 . 2 35 35 ARG HD3 H 1 3.355 0.015 . 2 . . . . . 558 R HD3 . 51624 1 1770 . 2 . 2 35 35 ARG HE H 1 7.657 0.004 . 1 . . . . . 558 R HE . 51624 1 1771 . 2 . 2 35 35 ARG C C 13 174.953 0.033 . 1 . . . . . 558 R C . 51624 1 1772 . 2 . 2 35 35 ARG CA C 13 55.834 0.144 . 1 . . . . . 558 R CA . 51624 1 1773 . 2 . 2 35 35 ARG CB C 13 30.485 0.277 . 1 . . . . . 558 R CB . 51624 1 1774 . 2 . 2 35 35 ARG CG C 13 28 0.2 . 1 . . . . . 558 R CG . 51624 1 1775 . 2 . 2 35 35 ARG CD C 13 44.511 0.2 . 1 . . . . . 558 R CD . 51624 1 1776 . 2 . 2 35 35 ARG N N 15 129.794 0.088 . 1 . . . . . 558 R N . 51624 1 1777 . 2 . 2 35 35 ARG NE N 15 85.122 0.054 . 1 . . . . . 558 R NE . 51624 1 1778 . 2 . 2 36 36 ASP H H 1 9.005 0.007 . 1 . . . . . 559 D H . 51624 1 1779 . 2 . 2 36 36 ASP HA H 1 4.965 0.013 . 1 . . . . . 559 D HA . 51624 1 1780 . 2 . 2 36 36 ASP HB2 H 1 2.388 0.004 . 2 . . . . . 559 D HB2 . 51624 1 1781 . 2 . 2 36 36 ASP HB3 H 1 2.779 0.005 . 2 . . . . . 559 D HB3 . 51624 1 1782 . 2 . 2 36 36 ASP C C 13 175.825 0.008 . 1 . . . . . 559 D C . 51624 1 1783 . 2 . 2 36 36 ASP CA C 13 52.73 0.181 . 1 . . . . . 559 D CA . 51624 1 1784 . 2 . 2 36 36 ASP CB C 13 42.272 0.052 . 1 . . . . . 559 D CB . 51624 1 1785 . 2 . 2 36 36 ASP N N 15 130.134 0.096 . 1 . . . . . 559 D N . 51624 1 1786 . 2 . 2 37 37 GLY H H 1 9.438 0.005 . 1 . . . . . 560 G H . 51624 1 1787 . 2 . 2 37 37 GLY HA2 H 1 4.005 0.008 . 2 . . . . . 560 G HA2 . 51624 1 1788 . 2 . 2 37 37 GLY HA3 H 1 3.708 0.016 . 2 . . . . . 560 G HA3 . 51624 1 1789 . 2 . 2 37 37 GLY C C 13 174.635 0.009 . 1 . . . . . 560 G C . 51624 1 1790 . 2 . 2 37 37 GLY CA C 13 47.579 0.221 . 1 . . . . . 560 G CA . 51624 1 1791 . 2 . 2 37 37 GLY N N 15 116.55 0.063 . 1 . . . . . 560 G N . 51624 1 1792 . 2 . 2 38 38 ASP H H 1 8.688 0.006 . 1 . . . . . 561 D H . 51624 1 1793 . 2 . 2 38 38 ASP HA H 1 4.803 0.007 . 1 . . . . . 561 D HA . 51624 1 1794 . 2 . 2 38 38 ASP HB2 H 1 2.885 0.028 . 1 . . . . . 561 D QB . 51624 1 1795 . 2 . 2 38 38 ASP HB3 H 1 2.885 0.028 . 1 . . . . . 561 D QB . 51624 1 1796 . 2 . 2 38 38 ASP C C 13 174.034 0.048 . 1 . . . . . 561 D C . 51624 1 1797 . 2 . 2 38 38 ASP CA C 13 53.926 0.043 . 1 . . . . . 561 D CA . 51624 1 1798 . 2 . 2 38 38 ASP CB C 13 40.155 0.178 . 1 . . . . . 561 D CB . 51624 1 1799 . 2 . 2 38 38 ASP N N 15 127.809 0.093 . 1 . . . . . 561 D N . 51624 1 1800 . 2 . 2 39 39 MET H H 1 7.884 0.01 . 1 . . . . . 562 M H . 51624 1 1801 . 2 . 2 39 39 MET HA H 1 5.344 0.007 . 1 . . . . . 562 M HA . 51624 1 1802 . 2 . 2 39 39 MET HB2 H 1 2.109 0.022 . 1 . . . . . 562 M QB . 51624 1 1803 . 2 . 2 39 39 MET HB3 H 1 2.109 0.022 . 1 . . . . . 562 M QB . 51624 1 1804 . 2 . 2 39 39 MET HG2 H 1 2.496 0.008 . 1 . . . . . 562 M QG . 51624 1 1805 . 2 . 2 39 39 MET HG3 H 1 2.496 0.008 . 1 . . . . . 562 M QG . 51624 1 1806 . 2 . 2 39 39 MET HE1 H 1 2.016 0.006 . 1 . . . . . 562 M ME . 51624 1 1807 . 2 . 2 39 39 MET HE2 H 1 2.016 0.006 . 1 . . . . . 562 M ME . 51624 1 1808 . 2 . 2 39 39 MET HE3 H 1 2.016 0.006 . 1 . . . . . 562 M ME . 51624 1 1809 . 2 . 2 39 39 MET C C 13 175.304 0.004 . 1 . . . . . 562 M C . 51624 1 1810 . 2 . 2 39 39 MET CA C 13 53.795 0.361 . 1 . . . . . 562 M CA . 51624 1 1811 . 2 . 2 39 39 MET CB C 13 35.733 0.291 . 1 . . . . . 562 M CB . 51624 1 1812 . 2 . 2 39 39 MET CG C 13 31.564 0.222 . 1 . . . . . 562 M CG . 51624 1 1813 . 2 . 2 39 39 MET CE C 13 16.455 0.108 . 1 . . . . . 562 M CE . 51624 1 1814 . 2 . 2 39 39 MET N N 15 118.644 0.124 . 1 . . . . . 562 M N . 51624 1 1815 . 2 . 2 40 40 VAL H H 1 8.759 0.007 . 1 . . . . . 563 V H . 51624 1 1816 . 2 . 2 40 40 VAL HA H 1 4.97 0.013 . 1 . . . . . 563 V HA . 51624 1 1817 . 2 . 2 40 40 VAL HB H 1 1.914 0.01 . 1 . . . . . 563 V HB . 51624 1 1818 . 2 . 2 40 40 VAL HG11 H 1 1.074 0.008 . 1 . . . . . 563 V MG1 . 51624 1 1819 . 2 . 2 40 40 VAL HG12 H 1 1.074 0.008 . 1 . . . . . 563 V MG1 . 51624 1 1820 . 2 . 2 40 40 VAL HG13 H 1 1.074 0.008 . 1 . . . . . 563 V MG1 . 51624 1 1821 . 2 . 2 40 40 VAL HG21 H 1 0.961 0.006 . 1 . . . . . 563 V MG2 . 51624 1 1822 . 2 . 2 40 40 VAL HG22 H 1 0.961 0.006 . 1 . . . . . 563 V MG2 . 51624 1 1823 . 2 . 2 40 40 VAL HG23 H 1 0.961 0.006 . 1 . . . . . 563 V MG2 . 51624 1 1824 . 2 . 2 40 40 VAL C C 13 174.059 0.039 . 1 . . . . . 563 V C . 51624 1 1825 . 2 . 2 40 40 VAL CA C 13 61.075 0.065 . 1 . . . . . 563 V CA . 51624 1 1826 . 2 . 2 40 40 VAL CB C 13 33.551 0.237 . 1 . . . . . 563 V CB . 51624 1 1827 . 2 . 2 40 40 VAL CG1 C 13 22.293 0.152 . 1 . . . . . 563 V CG1 . 51624 1 1828 . 2 . 2 40 40 VAL CG2 C 13 22.785 0.036 . 1 . . . . . 563 V CG2 . 51624 1 1829 . 2 . 2 40 40 VAL N N 15 121.678 0.122 . 1 . . . . . 563 V N . 51624 1 1830 . 2 . 2 41 41 ARG H H 1 8.925 0.009 . 1 . . . . . 564 R H . 51624 1 1831 . 2 . 2 41 41 ARG HA H 1 4.675 0.021 . 1 . . . . . 564 R HA . 51624 1 1832 . 2 . 2 41 41 ARG HB2 H 1 1.668 0.005 . 1 . . . . . 564 R QB . 51624 1 1833 . 2 . 2 41 41 ARG HB3 H 1 1.668 0.005 . 1 . . . . . 564 R QB . 51624 1 1834 . 2 . 2 41 41 ARG HG2 H 1 1.506 0.002 . 1 . . . . . 564 R QG . 51624 1 1835 . 2 . 2 41 41 ARG HG3 H 1 1.506 0.002 . 1 . . . . . 564 R QG . 51624 1 1836 . 2 . 2 41 41 ARG HD2 H 1 2.843 0.014 . 2 . . . . . 564 R HD2 . 51624 1 1837 . 2 . 2 41 41 ARG HD3 H 1 2.925 0.02 . 2 . . . . . 564 R HD3 . 51624 1 1838 . 2 . 2 41 41 ARG C C 13 175.483 0.011 . 1 . . . . . 564 R C . 51624 1 1839 . 2 . 2 41 41 ARG CA C 13 53.914 0.238 . 1 . . . . . 564 R CA . 51624 1 1840 . 2 . 2 41 41 ARG CB C 13 31.626 0.102 . 1 . . . . . 564 R CB . 51624 1 1841 . 2 . 2 41 41 ARG N N 15 125.032 0.129 . 1 . . . . . 564 R N . 51624 1 1842 . 2 . 2 42 42 CYS H H 1 8.886 0.009 . 1 . . . . . 565 C H . 51624 1 1843 . 2 . 2 42 42 CYS HA H 1 4.327 0.021 . 1 . . . . . 565 C HA . 51624 1 1844 . 2 . 2 42 42 CYS HB2 H 1 3.194 0.02 . 2 . . . . . 565 C HB2 . 51624 1 1845 . 2 . 2 42 42 CYS HB3 H 1 3.109 0.009 . 2 . . . . . 565 C HB3 . 51624 1 1846 . 2 . 2 42 42 CYS HG H 1 0.321 0.014 . 1 . . . . . 565 C HG . 51624 1 1847 . 2 . 2 42 42 CYS C C 13 175.49 0.011 . 1 . . . . . 565 C C . 51624 1 1848 . 2 . 2 42 42 CYS CA C 13 58.189 0.158 . 1 . . . . . 565 C CA . 51624 1 1849 . 2 . 2 42 42 CYS CB C 13 24.838 0.16 . 1 . . . . . 565 C CB . 51624 1 1850 . 2 . 2 42 42 CYS N N 15 124.48 0.109 . 1 . . . . . 565 C N . 51624 1 1851 . 2 . 2 43 43 ILE H H 1 9.004 0.013 . 1 . . . . . 566 I H . 51624 1 1852 . 2 . 2 43 43 ILE HA H 1 4.287 0.023 . 1 . . . . . 566 I HA . 51624 1 1853 . 2 . 2 43 43 ILE HB H 1 1.867 0.018 . 1 . . . . . 566 I HB . 51624 1 1854 . 2 . 2 43 43 ILE HG12 H 1 1.077 0.012 . 1 . . . . . 566 I HG1# . 51624 1 1855 . 2 . 2 43 43 ILE HG13 H 1 1.077 0.012 . 1 . . . . . 566 I HG1# . 51624 1 1856 . 2 . 2 43 43 ILE HG21 H 1 0.772 0.011 . 1 . . . . . 566 I MG . 51624 1 1857 . 2 . 2 43 43 ILE HG22 H 1 0.772 0.011 . 1 . . . . . 566 I MG . 51624 1 1858 . 2 . 2 43 43 ILE HG23 H 1 0.772 0.011 . 1 . . . . . 566 I MG . 51624 1 1859 . 2 . 2 43 43 ILE HD11 H 1 0.648 0.007 . 1 . . . . . 566 I MD . 51624 1 1860 . 2 . 2 43 43 ILE HD12 H 1 0.648 0.007 . 1 . . . . . 566 I MD . 51624 1 1861 . 2 . 2 43 43 ILE HD13 H 1 0.648 0.007 . 1 . . . . . 566 I MD . 51624 1 1862 . 2 . 2 43 43 ILE C C 13 175.627 0.04 . 1 . . . . . 566 I C . 51624 1 1863 . 2 . 2 43 43 ILE CA C 13 61.497 0.3 . 1 . . . . . 566 I CA . 51624 1 1864 . 2 . 2 43 43 ILE CB C 13 38.07 0.14 . 1 . . . . . 566 I CB . 51624 1 1865 . 2 . 2 43 43 ILE CG1 C 13 27.181 0.034 . 1 . . . . . 566 I CG1 . 51624 1 1866 . 2 . 2 43 43 ILE CG2 C 13 17.395 0.168 . 1 . . . . . 566 I CG2 . 51624 1 1867 . 2 . 2 43 43 ILE CD1 C 13 13.05 0.17 . 1 . . . . . 566 I CD1 . 51624 1 1868 . 2 . 2 43 43 ILE N N 15 126.694 0.182 . 1 . . . . . 566 I N . 51624 1 1869 . 2 . 2 44 44 GLY H H 1 7.6 0.009 . 1 . . . . . 567 G H . 51624 1 1870 . 2 . 2 44 44 GLY HA2 H 1 4.192 0.021 . 2 . . . . . 567 G HA2 . 51624 1 1871 . 2 . 2 44 44 GLY HA3 H 1 3.862 0.013 . 2 . . . . . 567 G HA3 . 51624 1 1872 . 2 . 2 44 44 GLY C C 13 171.358 0.021 . 1 . . . . . 567 G C . 51624 1 1873 . 2 . 2 44 44 GLY CA C 13 44.919 0.309 . 1 . . . . . 567 G CA . 51624 1 1874 . 2 . 2 44 44 GLY N N 15 107.937 0.122 . 1 . . . . . 567 G N . 51624 1 1875 . 2 . 2 45 45 GLU H H 1 8.437 0.005 . 1 . . . . . 568 E H . 51624 1 1876 . 2 . 2 45 45 GLU HA H 1 4.078 0.012 . 1 . . . . . 568 E HA . 51624 1 1877 . 2 . 2 45 45 GLU HB2 H 1 2.032 0.009 . 1 . . . . . 568 E QB . 51624 1 1878 . 2 . 2 45 45 GLU HB3 H 1 2.032 0.009 . 1 . . . . . 568 E QB . 51624 1 1879 . 2 . 2 45 45 GLU HG2 H 1 2.302 0.027 . 2 . . . . . 568 E HG2 . 51624 1 1880 . 2 . 2 45 45 GLU HG3 H 1 2.376 0.02 . 2 . . . . . 568 E HG3 . 51624 1 1881 . 2 . 2 45 45 GLU C C 13 176.621 0.011 . 1 . . . . . 568 E C . 51624 1 1882 . 2 . 2 45 45 GLU CA C 13 57.048 0.432 . 1 . . . . . 568 E CA . 51624 1 1883 . 2 . 2 45 45 GLU CB C 13 30.153 0.179 . 1 . . . . . 568 E CB . 51624 1 1884 . 2 . 2 45 45 GLU CG C 13 36.098 0.2 . 1 . . . . . 568 E CG . 51624 1 1885 . 2 . 2 45 45 GLU N N 15 118.859 0.161 . 1 . . . . . 568 E N . 51624 1 1886 . 2 . 2 46 46 GLY H H 1 7.677 0.009 . 1 . . . . . 569 G H . 51624 1 1887 . 2 . 2 46 46 GLY HA2 H 1 3.142 0.016 . 2 . . . . . 569 G HA2 . 51624 1 1888 . 2 . 2 46 46 GLY HA3 H 1 3.553 0.011 . 2 . . . . . 569 G HA3 . 51624 1 1889 . 2 . 2 46 46 GLY C C 13 171.03 0.2 . 1 . . . . . 569 G C . 51624 1 1890 . 2 . 2 46 46 GLY CA C 13 43.971 0.036 . 1 . . . . . 569 G CA . 51624 1 1891 . 2 . 2 46 46 GLY N N 15 110.274 0.053 . 1 . . . . . 569 G N . 51624 1 1892 . 2 . 2 47 47 PRO HG2 H 1 2.042 0.02 . 2 . . . . . 570 P HG2 . 51624 1 1893 . 2 . 2 47 47 PRO HG3 H 1 1.99 0.001 . 2 . . . . . 570 P HG3 . 51624 1 1894 . 2 . 2 47 47 PRO HD2 H 1 3.602 0.002 . 2 . . . . . 570 P HD2 . 51624 1 1895 . 2 . 2 47 47 PRO HD3 H 1 4.079 0.002 . 2 . . . . . 570 P HD3 . 51624 1 1896 . 2 . 2 47 47 PRO CB C 13 32.196 0.2 . 1 . . . . . 570 P CB . 51624 1 1897 . 2 . 2 47 47 PRO CG C 13 27.219 0.027 . 1 . . . . . 570 P CG . 51624 1 1898 . 2 . 2 47 47 PRO CD C 13 49.861 0.057 . 1 . . . . . 570 P CD . 51624 1 1899 . 2 . 2 48 48 ARG HA H 1 5.092 0.005 . 1 . . . . . 571 R HA . 51624 1 1900 . 2 . 2 48 48 ARG HB2 H 1 2.01 0.002 . 1 . . . . . 571 R QB . 51624 1 1901 . 2 . 2 48 48 ARG HB3 H 1 2.01 0.002 . 1 . . . . . 571 R QB . 51624 1 1902 . 2 . 2 48 48 ARG C C 13 177.626 0.2 . 1 . . . . . 571 R C . 51624 1 1903 . 2 . 2 48 48 ARG CA C 13 57.675 0.294 . 1 . . . . . 571 R CA . 51624 1 1904 . 2 . 2 48 48 ARG CB C 13 32.7 0 . 1 . . . . . 571 R CB . 51624 1 1905 . 2 . 2 49 49 MET H H 1 8.266 0.011 . 1 . . . . . 572 M H . 51624 1 1906 . 2 . 2 49 49 MET HA H 1 4.624 0.011 . 1 . . . . . 572 M HA . 51624 1 1907 . 2 . 2 49 49 MET HB2 H 1 1.802 0.004 . 1 . . . . . 572 M QB . 51624 1 1908 . 2 . 2 49 49 MET HB3 H 1 1.802 0.004 . 1 . . . . . 572 M QB . 51624 1 1909 . 2 . 2 49 49 MET HG2 H 1 2.247 0.017 . 2 . . . . . 572 M HG2 . 51624 1 1910 . 2 . 2 49 49 MET HG3 H 1 2.014 0.008 . 2 . . . . . 572 M HG3 . 51624 1 1911 . 2 . 2 49 49 MET HE1 H 1 1.793 0.003 . 1 . . . . . 572 M ME . 51624 1 1912 . 2 . 2 49 49 MET HE2 H 1 1.793 0.003 . 1 . . . . . 572 M ME . 51624 1 1913 . 2 . 2 49 49 MET HE3 H 1 1.793 0.003 . 1 . . . . . 572 M ME . 51624 1 1914 . 2 . 2 49 49 MET C C 13 172.861 0.028 . 1 . . . . . 572 M C . 51624 1 1915 . 2 . 2 49 49 MET CA C 13 55.242 0.08 . 1 . . . . . 572 M CA . 51624 1 1916 . 2 . 2 49 49 MET CB C 13 36.946 0.305 . 1 . . . . . 572 M CB . 51624 1 1917 . 2 . 2 49 49 MET CE C 13 16.677 0.131 . 1 . . . . . 572 M CE . 51624 1 1918 . 2 . 2 49 49 MET N N 15 119.983 0.107 . 1 . . . . . 572 M N . 51624 1 1919 . 2 . 2 50 50 VAL H H 1 8.555 0.006 . 1 . . . . . 573 V H . 51624 1 1920 . 2 . 2 50 50 VAL HA H 1 4.778 0.012 . 1 . . . . . 573 V HA . 51624 1 1921 . 2 . 2 50 50 VAL HB H 1 2.162 0.015 . 1 . . . . . 573 V HB . 51624 1 1922 . 2 . 2 50 50 VAL HG11 H 1 0.439 0.031 . 1 . . . . . 573 V MG1 . 51624 1 1923 . 2 . 2 50 50 VAL HG12 H 1 0.439 0.031 . 1 . . . . . 573 V MG1 . 51624 1 1924 . 2 . 2 50 50 VAL HG13 H 1 0.439 0.031 . 1 . . . . . 573 V MG1 . 51624 1 1925 . 2 . 2 50 50 VAL HG21 H 1 0.681 0.013 . 1 . . . . . 573 V MG2 . 51624 1 1926 . 2 . 2 50 50 VAL HG22 H 1 0.681 0.013 . 1 . . . . . 573 V MG2 . 51624 1 1927 . 2 . 2 50 50 VAL HG23 H 1 0.681 0.013 . 1 . . . . . 573 V MG2 . 51624 1 1928 . 2 . 2 50 50 VAL C C 13 175.696 0.055 . 1 . . . . . 573 V C . 51624 1 1929 . 2 . 2 50 50 VAL CA C 13 61.599 0.053 . 1 . . . . . 573 V CA . 51624 1 1930 . 2 . 2 50 50 VAL CB C 13 31.901 0.033 . 1 . . . . . 573 V CB . 51624 1 1931 . 2 . 2 50 50 VAL CG1 C 13 20.986 0.096 . 1 . . . . . 573 V CG1 . 51624 1 1932 . 2 . 2 50 50 VAL CG2 C 13 21.333 0.38 . 1 . . . . . 573 V CG2 . 51624 1 1933 . 2 . 2 50 50 VAL N N 15 121.859 0.137 . 1 . . . . . 573 V N . 51624 1 1934 . 2 . 2 51 51 ILE H H 1 8.453 0.007 . 1 . . . . . 574 I H . 51624 1 1935 . 2 . 2 51 51 ILE HA H 1 5.341 0.011 . 1 . . . . . 574 I HA . 51624 1 1936 . 2 . 2 51 51 ILE HB H 1 1.396 0.009 . 1 . . . . . 574 I HB . 51624 1 1937 . 2 . 2 51 51 ILE HG12 H 1 1.165 0.031 . 1 . . . . . 574 I HG1# . 51624 1 1938 . 2 . 2 51 51 ILE HG13 H 1 1.165 0.031 . 1 . . . . . 574 I HG1# . 51624 1 1939 . 2 . 2 51 51 ILE HG21 H 1 0.651 0.008 . 1 . . . . . 574 I MG . 51624 1 1940 . 2 . 2 51 51 ILE HG22 H 1 0.651 0.008 . 1 . . . . . 574 I MG . 51624 1 1941 . 2 . 2 51 51 ILE HG23 H 1 0.651 0.008 . 1 . . . . . 574 I MG . 51624 1 1942 . 2 . 2 51 51 ILE HD11 H 1 0.566 0.006 . 1 . . . . . 574 I MD . 51624 1 1943 . 2 . 2 51 51 ILE HD12 H 1 0.566 0.006 . 1 . . . . . 574 I MD . 51624 1 1944 . 2 . 2 51 51 ILE HD13 H 1 0.566 0.006 . 1 . . . . . 574 I MD . 51624 1 1945 . 2 . 2 51 51 ILE C C 13 174.344 0.013 . 1 . . . . . 574 I C . 51624 1 1946 . 2 . 2 51 51 ILE CA C 13 57.159 0.339 . 1 . . . . . 574 I CA . 51624 1 1947 . 2 . 2 51 51 ILE CB C 13 42.486 0.164 . 1 . . . . . 574 I CB . 51624 1 1948 . 2 . 2 51 51 ILE CG1 C 13 26.47 0.172 . 1 . . . . . 574 I CG1 . 51624 1 1949 . 2 . 2 51 51 ILE CG2 C 13 17.243 0.116 . 1 . . . . . 574 I CG2 . 51624 1 1950 . 2 . 2 51 51 ILE CD1 C 13 14.049 0.208 . 1 . . . . . 574 I CD1 . 51624 1 1951 . 2 . 2 51 51 ILE N N 15 121.369 0.148 . 1 . . . . . 574 I N . 51624 1 1952 . 2 . 2 52 52 GLY H H 1 8.67 0.01 . 1 . . . . . 575 G H . 51624 1 1953 . 2 . 2 52 52 GLY HA2 H 1 3.974 0.013 . 2 . . . . . 575 G HA2 . 51624 1 1954 . 2 . 2 52 52 GLY HA3 H 1 4.504 0.038 . 2 . . . . . 575 G HA3 . 51624 1 1955 . 2 . 2 52 52 GLY C C 13 172.221 0.018 . 1 . . . . . 575 G C . 51624 1 1956 . 2 . 2 52 52 GLY CA C 13 47.226 0.146 . 1 . . . . . 575 G CA . 51624 1 1957 . 2 . 2 52 52 GLY N N 15 106.777 0.087 . 1 . . . . . 575 G N . 51624 1 1958 . 2 . 2 53 53 HIS H H 1 8.312 0.014 . 1 . . . . . 576 H H . 51624 1 1959 . 2 . 2 53 53 HIS HA H 1 4.966 0.012 . 1 . . . . . 576 H HA . 51624 1 1960 . 2 . 2 53 53 HIS HB2 H 1 3.209 0.007 . 1 . . . . . 576 H QB . 51624 1 1961 . 2 . 2 53 53 HIS HB3 H 1 3.209 0.007 . 1 . . . . . 576 H QB . 51624 1 1962 . 2 . 2 53 53 HIS HD2 H 1 7.053 0 . 1 . . . . . 576 H HD2 . 51624 1 1963 . 2 . 2 53 53 HIS HE1 H 1 7.821 0.02 . 1 . . . . . 576 H HE1 . 51624 1 1964 . 2 . 2 53 53 HIS C C 13 173.452 0.025 . 1 . . . . . 576 H C . 51624 1 1965 . 2 . 2 53 53 HIS CA C 13 55.454 0.235 . 1 . . . . . 576 H CA . 51624 1 1966 . 2 . 2 53 53 HIS CB C 13 32.028 0.237 . 1 . . . . . 576 H CB . 51624 1 1967 . 2 . 2 53 53 HIS CE1 C 13 138.089 0.2 . 1 . . . . . 576 H CE1 . 51624 1 1968 . 2 . 2 53 53 HIS N N 15 118.922 0.16 . 1 . . . . . 576 H N . 51624 1 1969 . 2 . 2 54 54 ALA H H 1 8.582 0.012 . 1 . . . . . 577 A H . 51624 1 1970 . 2 . 2 54 54 ALA HA H 1 4.208 0.02 . 1 . . . . . 577 A HA . 51624 1 1971 . 2 . 2 54 54 ALA HB1 H 1 1.148 0.02 . 1 . . . . . 577 A MB . 51624 1 1972 . 2 . 2 54 54 ALA HB2 H 1 1.148 0.02 . 1 . . . . . 577 A MB . 51624 1 1973 . 2 . 2 54 54 ALA HB3 H 1 1.148 0.02 . 1 . . . . . 577 A MB . 51624 1 1974 . 2 . 2 54 54 ALA C C 13 175.266 0.066 . 1 . . . . . 577 A C . 51624 1 1975 . 2 . 2 54 54 ALA CA C 13 51.175 0.396 . 1 . . . . . 577 A CA . 51624 1 1976 . 2 . 2 54 54 ALA CB C 13 18.872 0.173 . 1 . . . . . 577 A CB . 51624 1 1977 . 2 . 2 54 54 ALA N N 15 126.288 0.142 . 1 . . . . . 577 A N . 51624 1 1978 . 2 . 2 55 55 ASP H H 1 8.764 0.018 . 1 . . . . . 578 D H . 51624 1 1979 . 2 . 2 55 55 ASP HA H 1 4.725 0.026 . 1 . . . . . 578 D HA . 51624 1 1980 . 2 . 2 55 55 ASP HB2 H 1 2.773 0.011 . 2 . . . . . 578 D HB2 . 51624 1 1981 . 2 . 2 55 55 ASP HB3 H 1 2.4 0.003 . 2 . . . . . 578 D HB3 . 51624 1 1982 . 2 . 2 55 55 ASP C C 13 176.863 0.041 . 1 . . . . . 578 D C . 51624 1 1983 . 2 . 2 55 55 ASP CA C 13 52.911 0.08 . 1 . . . . . 578 D CA . 51624 1 1984 . 2 . 2 55 55 ASP CB C 13 42.613 0.094 . 1 . . . . . 578 D CB . 51624 1 1985 . 2 . 2 55 55 ASP N N 15 121.783 0.12 . 1 . . . . . 578 D N . 51624 1 1986 . 2 . 2 56 56 ILE H H 1 8.956 0.015 . 1 . . . . . 579 I H . 51624 1 1987 . 2 . 2 56 56 ILE HA H 1 3.89 0.019 . 1 . . . . . 579 I HA . 51624 1 1988 . 2 . 2 56 56 ILE HB H 1 1.813 0.009 . 1 . . . . . 579 I HB . 51624 1 1989 . 2 . 2 56 56 ILE HG12 H 1 1.44 0.006 . 2 . . . . . 579 I HG12 . 51624 1 1990 . 2 . 2 56 56 ILE HG13 H 1 1.264 0.011 . 2 . . . . . 579 I HG13 . 51624 1 1991 . 2 . 2 56 56 ILE HG21 H 1 0.91 0.009 . 1 . . . . . 579 I MG . 51624 1 1992 . 2 . 2 56 56 ILE HG22 H 1 0.91 0.009 . 1 . . . . . 579 I MG . 51624 1 1993 . 2 . 2 56 56 ILE HG23 H 1 0.91 0.009 . 1 . . . . . 579 I MG . 51624 1 1994 . 2 . 2 56 56 ILE HD11 H 1 0.846 0.007 . 1 . . . . . 579 I MD . 51624 1 1995 . 2 . 2 56 56 ILE HD12 H 1 0.846 0.007 . 1 . . . . . 579 I MD . 51624 1 1996 . 2 . 2 56 56 ILE HD13 H 1 0.846 0.007 . 1 . . . . . 579 I MD . 51624 1 1997 . 2 . 2 56 56 ILE C C 13 176.182 0.084 . 1 . . . . . 579 I C . 51624 1 1998 . 2 . 2 56 56 ILE CA C 13 63.826 0.171 . 1 . . . . . 579 I CA . 51624 1 1999 . 2 . 2 56 56 ILE CB C 13 38.309 0.138 . 1 . . . . . 579 I CB . 51624 1 2000 . 2 . 2 56 56 ILE CG1 C 13 28.903 0.1 . 1 . . . . . 579 I CG1 . 51624 1 2001 . 2 . 2 56 56 ILE CG2 C 13 16.927 0.271 . 1 . . . . . 579 I CG2 . 51624 1 2002 . 2 . 2 56 56 ILE CD1 C 13 13.532 0.133 . 1 . . . . . 579 I CD1 . 51624 1 2003 . 2 . 2 56 56 ILE N N 15 126.847 0.093 . 1 . . . . . 579 I N . 51624 1 2004 . 2 . 2 57 57 ASN H H 1 8.201 0.011 . 1 . . . . . 580 N H . 51624 1 2005 . 2 . 2 57 57 ASN HA H 1 4.447 0.009 . 1 . . . . . 580 N HA . 51624 1 2006 . 2 . 2 57 57 ASN HB2 H 1 2.716 0.007 . 2 . . . . . 580 N HB2 . 51624 1 2007 . 2 . 2 57 57 ASN HB3 H 1 3.017 0.002 . 2 . . . . . 580 N HB3 . 51624 1 2008 . 2 . 2 57 57 ASN HD21 H 1 8.068 0.007 . 2 . . . . . 580 N HD21 . 51624 1 2009 . 2 . 2 57 57 ASN HD22 H 1 7.113 0.004 . 2 . . . . . 580 N HD22 . 51624 1 2010 . 2 . 2 57 57 ASN C C 13 178.232 0.003 . 1 . . . . . 580 N C . 51624 1 2011 . 2 . 2 57 57 ASN CA C 13 56.598 0.117 . 1 . . . . . 580 N CA . 51624 1 2012 . 2 . 2 57 57 ASN CB C 13 38.246 0.031 . 1 . . . . . 580 N CB . 51624 1 2013 . 2 . 2 57 57 ASN N N 15 119.844 0.077 . 1 . . . . . 580 N N . 51624 1 2014 . 2 . 2 57 57 ASN ND2 N 15 116.05 0.041 . 1 . . . . . 580 N ND2 . 51624 1 2015 . 2 . 2 58 58 GLU H H 1 7.855 0.014 . 1 . . . . . 581 E H . 51624 1 2016 . 2 . 2 58 58 GLU HA H 1 4.234 0.015 . 1 . . . . . 581 E HA . 51624 1 2017 . 2 . 2 58 58 GLU HB2 H 1 2.03 0.01 . 1 . . . . . 581 E QB . 51624 1 2018 . 2 . 2 58 58 GLU HB3 H 1 2.03 0.01 . 1 . . . . . 581 E QB . 51624 1 2019 . 2 . 2 58 58 GLU HG2 H 1 2.204 0.01 . 1 . . . . . 581 E QG . 51624 1 2020 . 2 . 2 58 58 GLU HG3 H 1 2.204 0.01 . 1 . . . . . 581 E QG . 51624 1 2021 . 2 . 2 58 58 GLU C C 13 178.808 0.032 . 1 . . . . . 581 E C . 51624 1 2022 . 2 . 2 58 58 GLU CA C 13 58.443 0.161 . 1 . . . . . 581 E CA . 51624 1 2023 . 2 . 2 58 58 GLU CB C 13 29.194 0.12 . 1 . . . . . 581 E CB . 51624 1 2024 . 2 . 2 58 58 GLU CG C 13 35.505 0.006 . 1 . . . . . 581 E CG . 51624 1 2025 . 2 . 2 58 58 GLU N N 15 122.771 0.094 . 1 . . . . . 581 E N . 51624 1 2026 . 2 . 2 59 59 MET H H 1 8.158 0.004 . 1 . . . . . 582 M H . 51624 1 2027 . 2 . 2 59 59 MET HA H 1 3.883 0.013 . 1 . . . . . 582 M HA . 51624 1 2028 . 2 . 2 59 59 MET HB2 H 1 2.375 0.019 . 1 . . . . . 582 M QB . 51624 1 2029 . 2 . 2 59 59 MET HB3 H 1 2.375 0.019 . 1 . . . . . 582 M QB . 51624 1 2030 . 2 . 2 59 59 MET HG2 H 1 2.745 0.006 . 1 . . . . . 582 M QG . 51624 1 2031 . 2 . 2 59 59 MET HG3 H 1 2.745 0.006 . 1 . . . . . 582 M QG . 51624 1 2032 . 2 . 2 59 59 MET HE1 H 1 1.893 0.007 . 1 . . . . . 582 M ME . 51624 1 2033 . 2 . 2 59 59 MET HE2 H 1 1.893 0.007 . 1 . . . . . 582 M ME . 51624 1 2034 . 2 . 2 59 59 MET HE3 H 1 1.893 0.007 . 1 . . . . . 582 M ME . 51624 1 2035 . 2 . 2 59 59 MET C C 13 177.627 0.2 . 1 . . . . . 582 M C . 51624 1 2036 . 2 . 2 59 59 MET CA C 13 59.998 0.099 . 1 . . . . . 582 M CA . 51624 1 2037 . 2 . 2 59 59 MET CB C 13 32.992 0.043 . 1 . . . . . 582 M CB . 51624 1 2038 . 2 . 2 59 59 MET CG C 13 30.261 0.2 . 1 . . . . . 582 M CG . 51624 1 2039 . 2 . 2 59 59 MET CE C 13 17.411 0.086 . 1 . . . . . 582 M CE . 51624 1 2040 . 2 . 2 59 59 MET N N 15 117.741 0.081 . 1 . . . . . 582 M N . 51624 1 2041 . 2 . 2 60 60 ARG H H 1 8.287 0.011 . 1 . . . . . 583 R H . 51624 1 2042 . 2 . 2 60 60 ARG HA H 1 3.59 0.013 . 1 . . . . . 583 R HA . 51624 1 2043 . 2 . 2 60 60 ARG HB2 H 1 1.896 0.02 . 2 . . . . . 583 R HB2 . 51624 1 2044 . 2 . 2 60 60 ARG HB3 H 1 2.066 0.02 . 2 . . . . . 583 R HB3 . 51624 1 2045 . 2 . 2 60 60 ARG HG2 H 1 1.431 0.005 . 2 . . . . . 583 R HG2 . 51624 1 2046 . 2 . 2 60 60 ARG HG3 H 1 1.578 0.011 . 2 . . . . . 583 R HG3 . 51624 1 2047 . 2 . 2 60 60 ARG HD2 H 1 3.176 0.01 . 1 . . . . . 583 R HD# . 51624 1 2048 . 2 . 2 60 60 ARG HD3 H 1 3.176 0.01 . 1 . . . . . 583 R HD# . 51624 1 2049 . 2 . 2 60 60 ARG C C 13 177.055 0.075 . 1 . . . . . 583 R C . 51624 1 2050 . 2 . 2 60 60 ARG CA C 13 60.629 0.134 . 1 . . . . . 583 R CA . 51624 1 2051 . 2 . 2 60 60 ARG N N 15 118.225 0.089 . 1 . . . . . 583 R N . 51624 1 2052 . 2 . 2 61 61 ARG H H 1 7.661 0.006 . 1 . . . . . 584 R H . 51624 1 2053 . 2 . 2 61 61 ARG HA H 1 3.939 0.03 . 1 . . . . . 584 R HA . 51624 1 2054 . 2 . 2 61 61 ARG HB2 H 1 1.895 0.006 . 2 . . . . . 584 R HB2 . 51624 1 2055 . 2 . 2 61 61 ARG HB3 H 1 2.17 0.009 . 2 . . . . . 584 R HB3 . 51624 1 2056 . 2 . 2 61 61 ARG HG2 H 1 1.704 0.014 . 2 . . . . . 584 R HG2 . 51624 1 2057 . 2 . 2 61 61 ARG HG3 H 1 1.522 0.004 . 2 . . . . . 584 R HG3 . 51624 1 2058 . 2 . 2 61 61 ARG C C 13 178.909 0.2 . 1 . . . . . 584 R C . 51624 1 2059 . 2 . 2 61 61 ARG CA C 13 59.9 0.026 . 1 . . . . . 584 R CA . 51624 1 2060 . 2 . 2 61 61 ARG N N 15 117.768 0.085 . 1 . . . . . 584 R N . 51624 1 2061 . 2 . 2 62 62 MET H H 1 7.9 0.009 . 1 . . . . . 585 M H . 51624 1 2062 . 2 . 2 62 62 MET HA H 1 4.024 0.018 . 1 . . . . . 585 M HA . 51624 1 2063 . 2 . 2 62 62 MET HG2 H 1 2.784 0.02 . 2 . . . . . 585 M HG2 . 51624 1 2064 . 2 . 2 62 62 MET HG3 H 1 2.517 0.002 . 2 . . . . . 585 M HG3 . 51624 1 2065 . 2 . 2 62 62 MET HE1 H 1 2.073 0.003 . 1 . . . . . 585 M ME . 51624 1 2066 . 2 . 2 62 62 MET HE2 H 1 2.073 0.003 . 1 . . . . . 585 M ME . 51624 1 2067 . 2 . 2 62 62 MET HE3 H 1 2.073 0.003 . 1 . . . . . 585 M ME . 51624 1 2068 . 2 . 2 62 62 MET C C 13 178.954 0.2 . 1 . . . . . 585 M C . 51624 1 2069 . 2 . 2 62 62 MET CA C 13 59.183 0.09 . 1 . . . . . 585 M CA . 51624 1 2070 . 2 . 2 62 62 MET CB C 13 32.94 0.2 . 1 . . . . . 585 M CB . 51624 1 2071 . 2 . 2 62 62 MET CE C 13 17.379 0.063 . 1 . . . . . 585 M CE . 51624 1 2072 . 2 . 2 62 62 MET N N 15 117.126 0.085 . 1 . . . . . 585 M N . 51624 1 2073 . 2 . 2 63 63 ILE H H 1 8.306 0.005 . 1 . . . . . 586 I H . 51624 1 2074 . 2 . 2 63 63 ILE HA H 1 3.567 0.017 . 1 . . . . . 586 I HA . 51624 1 2075 . 2 . 2 63 63 ILE HB H 1 1.952 0.02 . 1 . . . . . 586 I HB . 51624 1 2076 . 2 . 2 63 63 ILE HG12 H 1 1.848 0.018 . 2 . . . . . 586 I HG12 . 51624 1 2077 . 2 . 2 63 63 ILE HG13 H 1 0.889 0.02 . 2 . . . . . 586 I HG13 . 51624 1 2078 . 2 . 2 63 63 ILE HG21 H 1 0.806 0.009 . 1 . . . . . 586 I MG . 51624 1 2079 . 2 . 2 63 63 ILE HG22 H 1 0.806 0.009 . 1 . . . . . 586 I MG . 51624 1 2080 . 2 . 2 63 63 ILE HG23 H 1 0.806 0.009 . 1 . . . . . 586 I MG . 51624 1 2081 . 2 . 2 63 63 ILE HD11 H 1 0.645 0.007 . 1 . . . . . 586 I MD . 51624 1 2082 . 2 . 2 63 63 ILE HD12 H 1 0.645 0.007 . 1 . . . . . 586 I MD . 51624 1 2083 . 2 . 2 63 63 ILE HD13 H 1 0.645 0.007 . 1 . . . . . 586 I MD . 51624 1 2084 . 2 . 2 63 63 ILE C C 13 178.195 0.043 . 1 . . . . . 586 I C . 51624 1 2085 . 2 . 2 63 63 ILE CA C 13 65.478 0.221 . 1 . . . . . 586 I CA . 51624 1 2086 . 2 . 2 63 63 ILE CB C 13 38.101 0.051 . 1 . . . . . 586 I CB . 51624 1 2087 . 2 . 2 63 63 ILE CG1 C 13 30.434 0.054 . 1 . . . . . 586 I CG1 . 51624 1 2088 . 2 . 2 63 63 ILE CG2 C 13 19.893 0.083 . 1 . . . . . 586 I CG2 . 51624 1 2089 . 2 . 2 63 63 ILE CD1 C 13 13.665 0.078 . 1 . . . . . 586 I CD1 . 51624 1 2090 . 2 . 2 63 63 ILE N N 15 122.562 0.152 . 1 . . . . . 586 I N . 51624 1 2091 . 2 . 2 64 64 VAL H H 1 8.367 0.005 . 1 . . . . . 587 V H . 51624 1 2092 . 2 . 2 64 64 VAL HA H 1 4.094 0.01 . 1 . . . . . 587 V HA . 51624 1 2093 . 2 . 2 64 64 VAL HB H 1 2.183 0.014 . 1 . . . . . 587 V HB . 51624 1 2094 . 2 . 2 64 64 VAL HG11 H 1 0.987 0.012 . 1 . . . . . 587 V MG1 . 51624 1 2095 . 2 . 2 64 64 VAL HG12 H 1 0.987 0.012 . 1 . . . . . 587 V MG1 . 51624 1 2096 . 2 . 2 64 64 VAL HG13 H 1 0.987 0.012 . 1 . . . . . 587 V MG1 . 51624 1 2097 . 2 . 2 64 64 VAL HG21 H 1 1.105 0.013 . 1 . . . . . 587 V MG2 . 51624 1 2098 . 2 . 2 64 64 VAL HG22 H 1 1.105 0.013 . 1 . . . . . 587 V MG2 . 51624 1 2099 . 2 . 2 64 64 VAL HG23 H 1 1.105 0.013 . 1 . . . . . 587 V MG2 . 51624 1 2100 . 2 . 2 64 64 VAL C C 13 181.641 0.015 . 1 . . . . . 587 V C . 51624 1 2101 . 2 . 2 64 64 VAL CA C 13 66.325 0.148 . 1 . . . . . 587 V CA . 51624 1 2102 . 2 . 2 64 64 VAL CB C 13 31.347 0.355 . 1 . . . . . 587 V CB . 51624 1 2103 . 2 . 2 64 64 VAL CG1 C 13 21.155 0.042 . 1 . . . . . 587 V CG1 . 51624 1 2104 . 2 . 2 64 64 VAL CG2 C 13 22.953 0.056 . 1 . . . . . 587 V CG2 . 51624 1 2105 . 2 . 2 64 64 VAL N N 15 121.133 0.094 . 1 . . . . . 587 V N . 51624 1 2106 . 2 . 2 65 65 GLU H H 1 8.343 0.006 . 1 . . . . . 588 E H . 51624 1 2107 . 2 . 2 65 65 GLU HA H 1 4.118 0.027 . 1 . . . . . 588 E HA . 51624 1 2108 . 2 . 2 65 65 GLU HB2 H 1 2.136 0.016 . 1 . . . . . 588 E QB . 51624 1 2109 . 2 . 2 65 65 GLU HB3 H 1 2.136 0.016 . 1 . . . . . 588 E QB . 51624 1 2110 . 2 . 2 65 65 GLU HG2 H 1 2.306 0.006 . 1 . . . . . 588 E QG . 51624 1 2111 . 2 . 2 65 65 GLU HG3 H 1 2.306 0.006 . 1 . . . . . 588 E QG . 51624 1 2112 . 2 . 2 65 65 GLU C C 13 177.83 0.045 . 1 . . . . . 588 E C . 51624 1 2113 . 2 . 2 65 65 GLU CA C 13 58.998 0.127 . 1 . . . . . 588 E CA . 51624 1 2114 . 2 . 2 65 65 GLU CB C 13 29.192 0.203 . 1 . . . . . 588 E CB . 51624 1 2115 . 2 . 2 65 65 GLU CG C 13 33.475 0.2 . 1 . . . . . 588 E CG . 51624 1 2116 . 2 . 2 65 65 GLU N N 15 122.201 0.085 . 1 . . . . . 588 E N . 51624 1 2117 . 2 . 2 66 66 GLY H H 1 7.585 0.008 . 1 . . . . . 589 G H . 51624 1 2118 . 2 . 2 66 66 GLY HA2 H 1 4.364 0.016 . 2 . . . . . 589 G HA2 . 51624 1 2119 . 2 . 2 66 66 GLY HA3 H 1 3.512 0.007 . 2 . . . . . 589 G HA3 . 51624 1 2120 . 2 . 2 66 66 GLY C C 13 173.353 0.007 . 1 . . . . . 589 G C . 51624 1 2121 . 2 . 2 66 66 GLY CA C 13 45.474 0.155 . 1 . . . . . 589 G CA . 51624 1 2122 . 2 . 2 66 66 GLY N N 15 107.515 0.092 . 1 . . . . . 589 G N . 51624 1 2123 . 2 . 2 67 67 SER H H 1 8.084 0.004 . 1 . . . . . 590 S H . 51624 1 2124 . 2 . 2 67 67 SER HA H 1 4.083 0.017 . 1 . . . . . 590 S HA . 51624 1 2125 . 2 . 2 67 67 SER HB2 H 1 3.599 0.018 . 1 . . . . . 590 S QB . 51624 1 2126 . 2 . 2 67 67 SER HB3 H 1 3.599 0.018 . 1 . . . . . 590 S QB . 51624 1 2127 . 2 . 2 67 67 SER C C 13 173.529 0.2 . 1 . . . . . 590 S C . 51624 1 2128 . 2 . 2 67 67 SER CA C 13 59.304 0.194 . 1 . . . . . 590 S CA . 51624 1 2129 . 2 . 2 67 67 SER CB C 13 61.051 0.121 . 1 . . . . . 590 S CB . 51624 1 2130 . 2 . 2 67 67 SER N N 15 110.893 0.13 . 1 . . . . . 590 S N . 51624 1 2131 . 2 . 2 68 68 MET H H 1 7.146 0.005 . 1 . . . . . 591 M H . 51624 1 2132 . 2 . 2 68 68 MET HA H 1 4.607 0.012 . 1 . . . . . 591 M HA . 51624 1 2133 . 2 . 2 68 68 MET HB2 H 1 1.902 0.02 . 2 . . . . . 591 M HB2 . 51624 1 2134 . 2 . 2 68 68 MET HB3 H 1 1.837 0.002 . 2 . . . . . 591 M HB3 . 51624 1 2135 . 2 . 2 68 68 MET HG2 H 1 2.286 0.02 . 2 . . . . . 591 M HG2 . 51624 1 2136 . 2 . 2 68 68 MET HG3 H 1 2.455 0.022 . 2 . . . . . 591 M HG3 . 51624 1 2137 . 2 . 2 68 68 MET HE1 H 1 2.003 0.011 . 1 . . . . . 591 M ME . 51624 1 2138 . 2 . 2 68 68 MET HE2 H 1 2.003 0.011 . 1 . . . . . 591 M ME . 51624 1 2139 . 2 . 2 68 68 MET HE3 H 1 2.003 0.011 . 1 . . . . . 591 M ME . 51624 1 2140 . 2 . 2 68 68 MET C C 13 174.883 0.019 . 1 . . . . . 591 M C . 51624 1 2141 . 2 . 2 68 68 MET CA C 13 54.488 0.133 . 1 . . . . . 591 M CA . 51624 1 2142 . 2 . 2 68 68 MET CB C 13 36.411 0.245 . 1 . . . . . 591 M CB . 51624 1 2143 . 2 . 2 68 68 MET CE C 13 17.446 0.101 . 1 . . . . . 591 M CE . 51624 1 2144 . 2 . 2 68 68 MET N N 15 117.725 0.115 . 1 . . . . . 591 M N . 51624 1 2145 . 2 . 2 69 69 ARG H H 1 9.319 0.007 . 1 . . . . . 592 R H . 51624 1 2146 . 2 . 2 69 69 ARG HA H 1 4.305 0.015 . 1 . . . . . 592 R HA . 51624 1 2147 . 2 . 2 69 69 ARG HB2 H 1 1.644 0.012 . 1 . . . . . 592 R QB . 51624 1 2148 . 2 . 2 69 69 ARG HB3 H 1 1.644 0.012 . 1 . . . . . 592 R QB . 51624 1 2149 . 2 . 2 69 69 ARG HG2 H 1 1.569 0.012 . 1 . . . . . 592 R QG . 51624 1 2150 . 2 . 2 69 69 ARG HG3 H 1 1.569 0.012 . 1 . . . . . 592 R QG . 51624 1 2151 . 2 . 2 69 69 ARG HD2 H 1 3.181 0 . 1 . . . . . 592 R QD . 51624 1 2152 . 2 . 2 69 69 ARG HD3 H 1 3.181 0 . 1 . . . . . 592 R QD . 51624 1 2153 . 2 . 2 69 69 ARG C C 13 175.811 0.036 . 1 . . . . . 592 R C . 51624 1 2154 . 2 . 2 69 69 ARG CA C 13 55.978 0.16 . 1 . . . . . 592 R CA . 51624 1 2155 . 2 . 2 69 69 ARG CB C 13 30.949 0.185 . 1 . . . . . 592 R CB . 51624 1 2156 . 2 . 2 69 69 ARG CG C 13 27.297 0.2 . 1 . . . . . 592 R CG . 51624 1 2157 . 2 . 2 69 69 ARG CD C 13 43.118 0.2 . 1 . . . . . 592 R CD . 51624 1 2158 . 2 . 2 69 69 ARG N N 15 123.801 0.139 . 1 . . . . . 592 R N . 51624 1 2159 . 2 . 2 70 70 VAL H H 1 8.381 0.005 . 1 . . . . . 593 V H . 51624 1 2160 . 2 . 2 70 70 VAL HA H 1 5.101 0.014 . 1 . . . . . 593 V HA . 51624 1 2161 . 2 . 2 70 70 VAL HB H 1 1.887 0.009 . 1 . . . . . 593 V HB . 51624 1 2162 . 2 . 2 70 70 VAL HG11 H 1 0.813 0.017 . 2 . . . . . 593 V MG1 . 51624 1 2163 . 2 . 2 70 70 VAL HG12 H 1 0.813 0.017 . 2 . . . . . 593 V MG1 . 51624 1 2164 . 2 . 2 70 70 VAL HG13 H 1 0.813 0.017 . 2 . . . . . 593 V MG1 . 51624 1 2165 . 2 . 2 70 70 VAL HG21 H 1 0.809 0.003 . 2 . . . . . 593 V MG2 . 51624 1 2166 . 2 . 2 70 70 VAL HG22 H 1 0.809 0.003 . 2 . . . . . 593 V MG2 . 51624 1 2167 . 2 . 2 70 70 VAL HG23 H 1 0.809 0.003 . 2 . . . . . 593 V MG2 . 51624 1 2168 . 2 . 2 70 70 VAL C C 13 173.459 0.023 . 1 . . . . . 593 V C . 51624 1 2169 . 2 . 2 70 70 VAL CA C 13 59.44 0.153 . 1 . . . . . 593 V CA . 51624 1 2170 . 2 . 2 70 70 VAL CB C 13 34.686 0.264 . 1 . . . . . 593 V CB . 51624 1 2171 . 2 . 2 70 70 VAL CG1 C 13 21.899 0.047 . 1 . . . . . 593 V CG1 . 51624 1 2172 . 2 . 2 70 70 VAL CG2 C 13 23.579 0.073 . 1 . . . . . 593 V CG2 . 51624 1 2173 . 2 . 2 70 70 VAL N N 15 120.131 0.133 . 1 . . . . . 593 V N . 51624 1 2174 . 2 . 2 71 71 GLU H H 1 8.607 0.008 . 1 . . . . . 594 E H . 51624 1 2175 . 2 . 2 71 71 GLU HA H 1 4.638 0.018 . 1 . . . . . 594 E HA . 51624 1 2176 . 2 . 2 71 71 GLU HB2 H 1 1.706 0.011 . 1 . . . . . 594 E QB . 51624 1 2177 . 2 . 2 71 71 GLU HB3 H 1 1.706 0.011 . 1 . . . . . 594 E QB . 51624 1 2178 . 2 . 2 71 71 GLU HG2 H 1 2.172 0.016 . 2 . . . . . 594 E HG2 . 51624 1 2179 . 2 . 2 71 71 GLU HG3 H 1 2.016 0.006 . 2 . . . . . 594 E HG3 . 51624 1 2180 . 2 . 2 71 71 GLU C C 13 174.615 0.004 . 1 . . . . . 594 E C . 51624 1 2181 . 2 . 2 71 71 GLU CA C 13 54.364 0.153 . 1 . . . . . 594 E CA . 51624 1 2182 . 2 . 2 71 71 GLU CB C 13 32.663 0.188 . 1 . . . . . 594 E CB . 51624 1 2183 . 2 . 2 71 71 GLU CG C 13 35.761 0.2 . 1 . . . . . 594 E CG . 51624 1 2184 . 2 . 2 71 71 GLU N N 15 125.618 0.101 . 1 . . . . . 594 E N . 51624 1 2185 . 2 . 2 72 72 GLN H H 1 8.988 0.005 . 1 . . . . . 595 Q H . 51624 1 2186 . 2 . 2 72 72 GLN HA H 1 4.892 0.016 . 1 . . . . . 595 Q HA . 51624 1 2187 . 2 . 2 72 72 GLN HB2 H 1 2.02 0.003 . 2 . . . . . 595 Q HB2 . 51624 1 2188 . 2 . 2 72 72 GLN HB3 H 1 1.763 0.01 . 2 . . . . . 595 Q HB3 . 51624 1 2189 . 2 . 2 72 72 GLN HG2 H 1 2.311 0.022 . 1 . . . . . 595 Q QG . 51624 1 2190 . 2 . 2 72 72 GLN HG3 H 1 2.311 0.022 . 1 . . . . . 595 Q QG . 51624 1 2191 . 2 . 2 72 72 GLN HE21 H 1 7.645 0.004 . 2 . . . . . 595 Q HE21 . 51624 1 2192 . 2 . 2 72 72 GLN HE22 H 1 6.788 0.003 . 2 . . . . . 595 Q HE22 . 51624 1 2193 . 2 . 2 72 72 GLN C C 13 174.763 0.037 . 1 . . . . . 595 Q C . 51624 1 2194 . 2 . 2 72 72 GLN CA C 13 55.659 0.21 . 1 . . . . . 595 Q CA . 51624 1 2195 . 2 . 2 72 72 GLN CB C 13 30.175 0.243 . 1 . . . . . 595 Q CB . 51624 1 2196 . 2 . 2 72 72 GLN N N 15 124.781 0.158 . 1 . . . . . 595 Q N . 51624 1 2197 . 2 . 2 72 72 GLN NE2 N 15 110.24 0.048 . 1 . . . . . 595 Q NE2 . 51624 1 2198 . 2 . 2 73 73 GLU H H 1 8.684 0.007 . 1 . . . . . 596 E H . 51624 1 2199 . 2 . 2 73 73 GLU HA H 1 4.75 0.01 . 1 . . . . . 596 E HA . 51624 1 2200 . 2 . 2 73 73 GLU HB2 H 1 2.048 0.019 . 2 . . . . . 596 E HB2 . 51624 1 2201 . 2 . 2 73 73 GLU HB3 H 1 1.981 0.006 . 2 . . . . . 596 E HB3 . 51624 1 2202 . 2 . 2 73 73 GLU HG2 H 1 2.346 0.02 . 2 . . . . . 596 E HG2 . 51624 1 2203 . 2 . 2 73 73 GLU HG3 H 1 2.25 0.004 . 2 . . . . . 596 E HG3 . 51624 1 2204 . 2 . 2 73 73 GLU C C 13 175.909 0.065 . 1 . . . . . 596 E C . 51624 1 2205 . 2 . 2 73 73 GLU CA C 13 55.181 0.168 . 1 . . . . . 596 E CA . 51624 1 2206 . 2 . 2 73 73 GLU CB C 13 32.16 0.291 . 1 . . . . . 596 E CB . 51624 1 2207 . 2 . 2 73 73 GLU CG C 13 36.034 0.049 . 1 . . . . . 596 E CG . 51624 1 2208 . 2 . 2 73 73 GLU N N 15 126.342 0.083 . 1 . . . . . 596 E N . 51624 1 2209 . 2 . 2 74 74 GLU H H 1 9.087 0.011 . 1 . . . . . 597 E H . 51624 1 2210 . 2 . 2 74 74 GLU HA H 1 3.947 0.011 . 1 . . . . . 597 E HA . 51624 1 2211 . 2 . 2 74 74 GLU HB2 H 1 2.014 0.02 . 2 . . . . . 597 E HB2 . 51624 1 2212 . 2 . 2 74 74 GLU HB3 H 1 2.086 0.02 . 2 . . . . . 597 E HB3 . 51624 1 2213 . 2 . 2 74 74 GLU HG2 H 1 2.266 0.022 . 1 . . . . . 597 E QG . 51624 1 2214 . 2 . 2 74 74 GLU HG3 H 1 2.266 0.022 . 1 . . . . . 597 E QG . 51624 1 2215 . 2 . 2 74 74 GLU C C 13 176.544 0.031 . 1 . . . . . 597 E C . 51624 1 2216 . 2 . 2 74 74 GLU CA C 13 59.241 0.269 . 1 . . . . . 597 E CA . 51624 1 2217 . 2 . 2 74 74 GLU CB C 13 28.656 0.18 . 1 . . . . . 597 E CB . 51624 1 2218 . 2 . 2 74 74 GLU CG C 13 36.294 0.023 . 1 . . . . . 597 E CG . 51624 1 2219 . 2 . 2 74 74 GLU N N 15 122.843 0.106 . 1 . . . . . 597 E N . 51624 1 2220 . 2 . 2 75 75 ASN H H 1 8.617 0.008 . 1 . . . . . 598 N H . 51624 1 2221 . 2 . 2 75 75 ASN HA H 1 4.801 0.016 . 1 . . . . . 598 N HA . 51624 1 2222 . 2 . 2 75 75 ASN HB2 H 1 2.951 0.007 . 2 . . . . . 598 N HB2 . 51624 1 2223 . 2 . 2 75 75 ASN HB3 H 1 3.076 0.01 . 2 . . . . . 598 N HB3 . 51624 1 2224 . 2 . 2 75 75 ASN HD21 H 1 7.518 0.008 . 2 . . . . . 598 N HD21 . 51624 1 2225 . 2 . 2 75 75 ASN HD22 H 1 6.924 0.004 . 2 . . . . . 598 N HD22 . 51624 1 2226 . 2 . 2 75 75 ASN C C 13 174.114 0.002 . 1 . . . . . 598 N C . 51624 1 2227 . 2 . 2 75 75 ASN CA C 13 53.326 0.04 . 1 . . . . . 598 N CA . 51624 1 2228 . 2 . 2 75 75 ASN CB C 13 37.993 0.184 . 1 . . . . . 598 N CB . 51624 1 2229 . 2 . 2 75 75 ASN N N 15 117.207 0.074 . 1 . . . . . 598 N N . 51624 1 2230 . 2 . 2 75 75 ASN ND2 N 15 113.286 0.103 . 1 . . . . . 598 N ND2 . 51624 1 2231 . 2 . 2 76 76 GLY H H 1 7.856 0.008 . 1 . . . . . 599 G H . 51624 1 2232 . 2 . 2 76 76 GLY HA2 H 1 4.774 0.017 . 2 . . . . . 599 G HA2 . 51624 1 2233 . 2 . 2 76 76 GLY HA3 H 1 4.383 0.015 . 2 . . . . . 599 G HA3 . 51624 1 2234 . 2 . 2 76 76 GLY C C 13 171.519 0.023 . 1 . . . . . 599 G C . 51624 1 2235 . 2 . 2 76 76 GLY CA C 13 45.94 0.095 . 1 . . . . . 599 G CA . 51624 1 2236 . 2 . 2 76 76 GLY N N 15 106.483 0.072 . 1 . . . . . 599 G N . 51624 1 2237 . 2 . 2 77 77 LEU H H 1 9.173 0.011 . 1 . . . . . 600 L H . 51624 1 2238 . 2 . 2 77 77 LEU HA H 1 5.118 0.016 . 1 . . . . . 600 L HA . 51624 1 2239 . 2 . 2 77 77 LEU HB2 H 1 1.768 0.01 . 1 . . . . . 600 L QB . 51624 1 2240 . 2 . 2 77 77 LEU HB3 H 1 1.768 0.01 . 1 . . . . . 600 L QB . 51624 1 2241 . 2 . 2 77 77 LEU HG H 1 1.107 0.013 . 1 . . . . . 600 L HG . 51624 1 2242 . 2 . 2 77 77 LEU HD11 H 1 0.769 0.002 . 1 . . . . . 600 L MD1 . 51624 1 2243 . 2 . 2 77 77 LEU HD12 H 1 0.769 0.002 . 1 . . . . . 600 L MD1 . 51624 1 2244 . 2 . 2 77 77 LEU HD13 H 1 0.769 0.002 . 1 . . . . . 600 L MD1 . 51624 1 2245 . 2 . 2 77 77 LEU HD21 H 1 0.789 0.007 . 1 . . . . . 600 L MD2 . 51624 1 2246 . 2 . 2 77 77 LEU HD22 H 1 0.789 0.007 . 1 . . . . . 600 L MD2 . 51624 1 2247 . 2 . 2 77 77 LEU HD23 H 1 0.789 0.007 . 1 . . . . . 600 L MD2 . 51624 1 2248 . 2 . 2 77 77 LEU C C 13 173.887 0.031 . 1 . . . . . 600 L C . 51624 1 2249 . 2 . 2 77 77 LEU CA C 13 52.808 0.209 . 1 . . . . . 600 L CA . 51624 1 2250 . 2 . 2 77 77 LEU CB C 13 45.192 0.384 . 1 . . . . . 600 L CB . 51624 1 2251 . 2 . 2 77 77 LEU CD1 C 13 25.345 0.067 . 1 . . . . . 600 L CD1 . 51624 1 2252 . 2 . 2 77 77 LEU CD2 C 13 22.994 0.027 . 1 . . . . . 600 L CD2 . 51624 1 2253 . 2 . 2 77 77 LEU N N 15 119.25 0.092 . 1 . . . . . 600 L N . 51624 1 2254 . 2 . 2 78 78 LEU H H 1 8.744 0.011 . 1 . . . . . 601 L H . 51624 1 2255 . 2 . 2 78 78 LEU HA H 1 4.341 0.016 . 1 . . . . . 601 L HA . 51624 1 2256 . 2 . 2 78 78 LEU HB2 H 1 1.24 0.011 . 2 . . . . . 601 L HB2 . 51624 1 2257 . 2 . 2 78 78 LEU HB3 H 1 -0.285 0.019 . 2 . . . . . 601 L HB3 . 51624 1 2258 . 2 . 2 78 78 LEU HG H 1 0.812 0.005 . 1 . . . . . 601 L HG . 51624 1 2259 . 2 . 2 78 78 LEU HD11 H 1 -0.538 0.034 . 1 . . . . . 601 L MD1 . 51624 1 2260 . 2 . 2 78 78 LEU HD12 H 1 -0.538 0.034 . 1 . . . . . 601 L MD1 . 51624 1 2261 . 2 . 2 78 78 LEU HD13 H 1 -0.538 0.034 . 1 . . . . . 601 L MD1 . 51624 1 2262 . 2 . 2 78 78 LEU HD21 H 1 0.549 0.007 . 1 . . . . . 601 L MD2 . 51624 1 2263 . 2 . 2 78 78 LEU HD22 H 1 0.549 0.007 . 1 . . . . . 601 L MD2 . 51624 1 2264 . 2 . 2 78 78 LEU HD23 H 1 0.549 0.007 . 1 . . . . . 601 L MD2 . 51624 1 2265 . 2 . 2 78 78 LEU C C 13 176.181 0.011 . 1 . . . . . 601 L C . 51624 1 2266 . 2 . 2 78 78 LEU CA C 13 53.402 0.195 . 1 . . . . . 601 L CA . 51624 1 2267 . 2 . 2 78 78 LEU CB C 13 41.773 0.277 . 1 . . . . . 601 L CB . 51624 1 2268 . 2 . 2 78 78 LEU CD1 C 13 19.609 0.197 . 1 . . . . . 601 L CD1 . 51624 1 2269 . 2 . 2 78 78 LEU CD2 C 13 25.621 0.225 . 1 . . . . . 601 L CD2 . 51624 1 2270 . 2 . 2 78 78 LEU N N 15 124.086 0.069 . 1 . . . . . 601 L N . 51624 1 2271 . 2 . 2 79 79 VAL H H 1 9.799 0.008 . 1 . . . . . 602 V H . 51624 1 2272 . 2 . 2 79 79 VAL HA H 1 4.589 0.016 . 1 . . . . . 602 V HA . 51624 1 2273 . 2 . 2 79 79 VAL HB H 1 1.933 0.011 . 1 . . . . . 602 V HB . 51624 1 2274 . 2 . 2 79 79 VAL HG11 H 1 0.812 0.003 . 1 . . . . . 602 V MG1 . 51624 1 2275 . 2 . 2 79 79 VAL HG12 H 1 0.812 0.003 . 1 . . . . . 602 V MG1 . 51624 1 2276 . 2 . 2 79 79 VAL HG13 H 1 0.812 0.003 . 1 . . . . . 602 V MG1 . 51624 1 2277 . 2 . 2 79 79 VAL HG21 H 1 0.806 0.001 . 1 . . . . . 602 V MG2 . 51624 1 2278 . 2 . 2 79 79 VAL HG22 H 1 0.806 0.001 . 1 . . . . . 602 V MG2 . 51624 1 2279 . 2 . 2 79 79 VAL HG23 H 1 0.806 0.001 . 1 . . . . . 602 V MG2 . 51624 1 2280 . 2 . 2 79 79 VAL C C 13 175.684 0.02 . 1 . . . . . 602 V C . 51624 1 2281 . 2 . 2 79 79 VAL CA C 13 61.655 0.205 . 1 . . . . . 602 V CA . 51624 1 2282 . 2 . 2 79 79 VAL CB C 13 32.726 0.235 . 1 . . . . . 602 V CB . 51624 1 2283 . 2 . 2 79 79 VAL CG1 C 13 20.884 0.2 . 1 . . . . . 602 V CG1 . 51624 1 2284 . 2 . 2 79 79 VAL CG2 C 13 21.013 0.2 . 1 . . . . . 602 V CG2 . 51624 1 2285 . 2 . 2 79 79 VAL N N 15 130.823 0.13 . 1 . . . . . 602 V N . 51624 1 2286 . 2 . 2 80 80 GLU H H 1 9.234 0.01 . 1 . . . . . 603 E H . 51624 1 2287 . 2 . 2 80 80 GLU HA H 1 3.559 0.008 . 1 . . . . . 603 E HA . 51624 1 2288 . 2 . 2 80 80 GLU HB2 H 1 1.628 0.008 . 2 . . . . . 603 E HB2 . 51624 1 2289 . 2 . 2 80 80 GLU HB3 H 1 1.864 0.011 . 2 . . . . . 603 E HB3 . 51624 1 2290 . 2 . 2 80 80 GLU HG2 H 1 2.312 0.005 . 2 . . . . . 603 E HG2 . 51624 1 2291 . 2 . 2 80 80 GLU HG3 H 1 2.37 0.006 . 2 . . . . . 603 E HG3 . 51624 1 2292 . 2 . 2 80 80 GLU C C 13 174.149 0.032 . 1 . . . . . 603 E C . 51624 1 2293 . 2 . 2 80 80 GLU CA C 13 57.405 0.174 . 1 . . . . . 603 E CA . 51624 1 2294 . 2 . 2 80 80 GLU CB C 13 27.747 0.214 . 1 . . . . . 603 E CB . 51624 1 2295 . 2 . 2 80 80 GLU CG C 13 36.02 0.075 . 1 . . . . . 603 E CG . 51624 1 2296 . 2 . 2 80 80 GLU N N 15 125.798 0.105 . 1 . . . . . 603 E N . 51624 1 2297 . 2 . 2 81 81 ASP H H 1 9.109 0.007 . 1 . . . . . 604 D H . 51624 1 2298 . 2 . 2 81 81 ASP HA H 1 3.916 0.014 . 1 . . . . . 604 D HA . 51624 1 2299 . 2 . 2 81 81 ASP HB2 H 1 2.564 0.013 . 2 . . . . . 604 D HB2 . 51624 1 2300 . 2 . 2 81 81 ASP HB3 H 1 2.915 0.015 . 2 . . . . . 604 D HB3 . 51624 1 2301 . 2 . 2 81 81 ASP C C 13 175.887 0.018 . 1 . . . . . 604 D C . 51624 1 2302 . 2 . 2 81 81 ASP CA C 13 56.163 0.276 . 1 . . . . . 604 D CA . 51624 1 2303 . 2 . 2 81 81 ASP CB C 13 41.832 0.144 . 1 . . . . . 604 D CB . 51624 1 2304 . 2 . 2 81 81 ASP N N 15 112.539 0.051 . 1 . . . . . 604 D N . 51624 1 2305 . 2 . 2 82 82 CYS H H 1 8.314 0.005 . 1 . . . . . 605 C H . 51624 1 2306 . 2 . 2 82 82 CYS HA H 1 4.965 0.012 . 1 . . . . . 605 C HA . 51624 1 2307 . 2 . 2 82 82 CYS HB2 H 1 2.955 0.015 . 1 . . . . . 605 C QB . 51624 1 2308 . 2 . 2 82 82 CYS HB3 H 1 2.955 0.015 . 1 . . . . . 605 C QB . 51624 1 2309 . 2 . 2 82 82 CYS C C 13 173.713 0.021 . 1 . . . . . 605 C C . 51624 1 2310 . 2 . 2 82 82 CYS CA C 13 59.222 0.087 . 1 . . . . . 605 C CA . 51624 1 2311 . 2 . 2 82 82 CYS CB C 13 30.761 0.204 . 1 . . . . . 605 C CB . 51624 1 2312 . 2 . 2 82 82 CYS N N 15 112.094 0.065 . 1 . . . . . 605 C N . 51624 1 2313 . 2 . 2 83 83 VAL H H 1 7.935 0.006 . 1 . . . . . 606 V H . 51624 1 2314 . 2 . 2 83 83 VAL HA H 1 4.989 0.015 . 1 . . . . . 606 V HA . 51624 1 2315 . 2 . 2 83 83 VAL HB H 1 1.833 0.012 . 1 . . . . . 606 V HB . 51624 1 2316 . 2 . 2 83 83 VAL HG11 H 1 0.767 0.02 . 1 . . . . . 606 V MG1 . 51624 1 2317 . 2 . 2 83 83 VAL HG12 H 1 0.767 0.02 . 1 . . . . . 606 V MG1 . 51624 1 2318 . 2 . 2 83 83 VAL HG13 H 1 0.767 0.02 . 1 . . . . . 606 V MG1 . 51624 1 2319 . 2 . 2 83 83 VAL HG21 H 1 1.05 0.01 . 1 . . . . . 606 V MG2 . 51624 1 2320 . 2 . 2 83 83 VAL HG22 H 1 1.05 0.01 . 1 . . . . . 606 V MG2 . 51624 1 2321 . 2 . 2 83 83 VAL HG23 H 1 1.05 0.01 . 1 . . . . . 606 V MG2 . 51624 1 2322 . 2 . 2 83 83 VAL C C 13 173.608 0.015 . 1 . . . . . 606 V C . 51624 1 2323 . 2 . 2 83 83 VAL CA C 13 61.809 0.124 . 1 . . . . . 606 V CA . 51624 1 2324 . 2 . 2 83 83 VAL CB C 13 35.918 0.384 . 1 . . . . . 606 V CB . 51624 1 2325 . 2 . 2 83 83 VAL CG1 C 13 22.116 0.047 . 1 . . . . . 606 V CG1 . 51624 1 2326 . 2 . 2 83 83 VAL CG2 C 13 23.321 0.049 . 1 . . . . . 606 V CG2 . 51624 1 2327 . 2 . 2 83 83 VAL N N 15 124.616 0.109 . 1 . . . . . 606 V N . 51624 1 2328 . 2 . 2 84 84 TRP H H 1 9.568 0.008 . 1 . . . . . 607 W H . 51624 1 2329 . 2 . 2 84 84 TRP HA H 1 5.514 0.013 . 1 . . . . . 607 W HA . 51624 1 2330 . 2 . 2 84 84 TRP HB2 H 1 2.995 0.002 . 2 . . . . . 607 W HB2 . 51624 1 2331 . 2 . 2 84 84 TRP HB3 H 1 3.204 0.008 . 2 . . . . . 607 W HB3 . 51624 1 2332 . 2 . 2 84 84 TRP HD1 H 1 7.178 0.007 . 1 . . . . . 607 W HD1 . 51624 1 2333 . 2 . 2 84 84 TRP HE1 H 1 10.127 0.006 . 1 . . . . . 607 W HE1 . 51624 1 2334 . 2 . 2 84 84 TRP HE3 H 1 7.361 0.009 . 1 . . . . . 607 W HE3 . 51624 1 2335 . 2 . 2 84 84 TRP HZ2 H 1 7.376 0.009 . 1 . . . . . 607 W HZ2 . 51624 1 2336 . 2 . 2 84 84 TRP HZ3 H 1 6.709 0.004 . 1 . . . . . 607 W HZ3 . 51624 1 2337 . 2 . 2 84 84 TRP HH2 H 1 7.063 0.009 . 1 . . . . . 607 W HH2 . 51624 1 2338 . 2 . 2 84 84 TRP C C 13 176.654 0.009 . 1 . . . . . 607 W C . 51624 1 2339 . 2 . 2 84 84 TRP CA C 13 57.069 0.135 . 1 . . . . . 607 W CA . 51624 1 2340 . 2 . 2 84 84 TRP CB C 13 32.373 0.049 . 1 . . . . . 607 W CB . 51624 1 2341 . 2 . 2 84 84 TRP CD1 C 13 126.811 0.2 . 1 . . . . . 607 W CD1 . 51624 1 2342 . 2 . 2 84 84 TRP CE3 C 13 120.278 0.2 . 1 . . . . . 607 W CE3 . 51624 1 2343 . 2 . 2 84 84 TRP CZ2 C 13 114.935 0.2 . 1 . . . . . 607 W CZ2 . 51624 1 2344 . 2 . 2 84 84 TRP CZ3 C 13 121.193 0.2 . 1 . . . . . 607 W CZ3 . 51624 1 2345 . 2 . 2 84 84 TRP CH2 C 13 124.32 0.2 . 1 . . . . . 607 W CH2 . 51624 1 2346 . 2 . 2 84 84 TRP N N 15 128.517 0.115 . 1 . . . . . 607 W N . 51624 1 2347 . 2 . 2 84 84 TRP NE1 N 15 129.436 0.064 . 1 . . . . . 607 W NE1 . 51624 1 2348 . 2 . 2 85 85 ILE H H 1 9.318 0.009 . 1 . . . . . 608 I H . 51624 1 2349 . 2 . 2 85 85 ILE HA H 1 5.057 0.022 . 1 . . . . . 608 I HA . 51624 1 2350 . 2 . 2 85 85 ILE HB H 1 1.615 0.013 . 1 . . . . . 608 I HB . 51624 1 2351 . 2 . 2 85 85 ILE HG12 H 1 1.452 0.014 . 1 . . . . . 608 I HG1# . 51624 1 2352 . 2 . 2 85 85 ILE HG13 H 1 1.452 0.014 . 1 . . . . . 608 I HG1# . 51624 1 2353 . 2 . 2 85 85 ILE HG21 H 1 0.726 0.012 . 1 . . . . . 608 I MG . 51624 1 2354 . 2 . 2 85 85 ILE HG22 H 1 0.726 0.012 . 1 . . . . . 608 I MG . 51624 1 2355 . 2 . 2 85 85 ILE HG23 H 1 0.726 0.012 . 1 . . . . . 608 I MG . 51624 1 2356 . 2 . 2 85 85 ILE HD11 H 1 0.662 0.007 . 1 . . . . . 608 I MD . 51624 1 2357 . 2 . 2 85 85 ILE HD12 H 1 0.662 0.007 . 1 . . . . . 608 I MD . 51624 1 2358 . 2 . 2 85 85 ILE HD13 H 1 0.662 0.007 . 1 . . . . . 608 I MD . 51624 1 2359 . 2 . 2 85 85 ILE C C 13 175.713 0.065 . 1 . . . . . 608 I C . 51624 1 2360 . 2 . 2 85 85 ILE CA C 13 60.037 0.161 . 1 . . . . . 608 I CA . 51624 1 2361 . 2 . 2 85 85 ILE CB C 13 40.342 0.186 . 1 . . . . . 608 I CB . 51624 1 2362 . 2 . 2 85 85 ILE CG1 C 13 27.613 0.13 . 1 . . . . . 608 I CG1 . 51624 1 2363 . 2 . 2 85 85 ILE CG2 C 13 17.662 0.1 . 1 . . . . . 608 I CG2 . 51624 1 2364 . 2 . 2 85 85 ILE CD1 C 13 14.98 0.085 . 1 . . . . . 608 I CD1 . 51624 1 2365 . 2 . 2 85 85 ILE N N 15 120.567 0.08 . 1 . . . . . 608 I N . 51624 1 2366 . 2 . 2 86 86 ARG H H 1 9.076 0.009 . 1 . . . . . 609 R H . 51624 1 2367 . 2 . 2 86 86 ARG HA H 1 5.148 0.016 . 1 . . . . . 609 R HA . 51624 1 2368 . 2 . 2 86 86 ARG HB2 H 1 1.631 0.02 . 2 . . . . . 609 R HB2 . 51624 1 2369 . 2 . 2 86 86 ARG HB3 H 1 1.567 0.02 . 2 . . . . . 609 R HB3 . 51624 1 2370 . 2 . 2 86 86 ARG HG2 H 1 1.656 0.02 . 1 . . . . . 609 R QG . 51624 1 2371 . 2 . 2 86 86 ARG HG3 H 1 1.656 0.02 . 1 . . . . . 609 R QG . 51624 1 2372 . 2 . 2 86 86 ARG HD2 H 1 2.961 0.005 . 1 . . . . . 609 R QD . 51624 1 2373 . 2 . 2 86 86 ARG HD3 H 1 2.961 0.005 . 1 . . . . . 609 R QD . 51624 1 2374 . 2 . 2 86 86 ARG C C 13 175.746 0.008 . 1 . . . . . 609 R C . 51624 1 2375 . 2 . 2 86 86 ARG CA C 13 54.48 0.208 . 1 . . . . . 609 R CA . 51624 1 2376 . 2 . 2 86 86 ARG CB C 13 32.575 0.212 . 1 . . . . . 609 R CB . 51624 1 2377 . 2 . 2 86 86 ARG CG C 13 28.389 0.011 . 1 . . . . . 609 R CG . 51624 1 2378 . 2 . 2 86 86 ARG CD C 13 43.083 0.087 . 1 . . . . . 609 R CD . 51624 1 2379 . 2 . 2 86 86 ARG N N 15 124.604 0.149 . 1 . . . . . 609 R N . 51624 1 2380 . 2 . 2 87 87 VAL H H 1 8.647 0.006 . 1 . . . . . 610 V H . 51624 1 2381 . 2 . 2 87 87 VAL HA H 1 4.676 0.023 . 1 . . . . . 610 V HA . 51624 1 2382 . 2 . 2 87 87 VAL HB H 1 2.02 0.005 . 1 . . . . . 610 V HB . 51624 1 2383 . 2 . 2 87 87 VAL HG11 H 1 0.93 0.02 . 1 . . . . . 610 V MG1 . 51624 1 2384 . 2 . 2 87 87 VAL HG12 H 1 0.93 0.02 . 1 . . . . . 610 V MG1 . 51624 1 2385 . 2 . 2 87 87 VAL HG13 H 1 0.93 0.02 . 1 . . . . . 610 V MG1 . 51624 1 2386 . 2 . 2 87 87 VAL HG21 H 1 0.921 0.02 . 1 . . . . . 610 V MG2 . 51624 1 2387 . 2 . 2 87 87 VAL HG22 H 1 0.921 0.02 . 1 . . . . . 610 V MG2 . 51624 1 2388 . 2 . 2 87 87 VAL HG23 H 1 0.921 0.02 . 1 . . . . . 610 V MG2 . 51624 1 2389 . 2 . 2 87 87 VAL C C 13 175.08 0.018 . 1 . . . . . 610 V C . 51624 1 2390 . 2 . 2 87 87 VAL CA C 13 61.876 0.075 . 1 . . . . . 610 V CA . 51624 1 2391 . 2 . 2 87 87 VAL CB C 13 33.321 0.126 . 1 . . . . . 610 V CB . 51624 1 2392 . 2 . 2 87 87 VAL CG1 C 13 21.444 0.043 . 1 . . . . . 610 V CG1 . 51624 1 2393 . 2 . 2 87 87 VAL CG2 C 13 21.444 0.043 . 1 . . . . . 610 V CG2 . 51624 1 2394 . 2 . 2 87 87 VAL N N 15 123.289 0.13 . 1 . . . . . 610 V N . 51624 1 2395 . 2 . 2 88 88 SER H H 1 8.782 0.009 . 1 . . . . . 611 S H . 51624 1 2396 . 2 . 2 88 88 SER HA H 1 4.841 0.004 . 1 . . . . . 611 S HA . 51624 1 2397 . 2 . 2 88 88 SER HB2 H 1 3.798 0.019 . 2 . . . . . 611 S HB2 . 51624 1 2398 . 2 . 2 88 88 SER HB3 H 1 3.977 0.017 . 2 . . . . . 611 S HB3 . 51624 1 2399 . 2 . 2 88 88 SER C C 13 175.127 0.2 . 1 . . . . . 611 S C . 51624 1 2400 . 2 . 2 88 88 SER CA C 13 56.681 0.084 . 1 . . . . . 611 S CA . 51624 1 2401 . 2 . 2 88 88 SER CB C 13 65.38 0 . 1 . . . . . 611 S CB . 51624 1 2402 . 2 . 2 88 88 SER N N 15 122.387 0.149 . 1 . . . . . 611 S N . 51624 1 2403 . 2 . 2 89 89 GLY HA2 H 1 3.872 0.005 . 1 . . . . . 612 G QA . 51624 1 2404 . 2 . 2 89 89 GLY HA3 H 1 3.872 0.005 . 1 . . . . . 612 G QA . 51624 1 2405 . 2 . 2 89 89 GLY C C 13 174.638 0.2 . 1 . . . . . 612 G C . 51624 1 2406 . 2 . 2 89 89 GLY CA C 13 47.022 0.196 . 1 . . . . . 612 G CA . 51624 1 2407 . 2 . 2 90 90 ASP H H 1 8.277 0.008 . 1 . . . . . 613 D H . 51624 1 2408 . 2 . 2 90 90 ASP HA H 1 4.74 0.022 . 1 . . . . . 613 D HA . 51624 1 2409 . 2 . 2 90 90 ASP HB2 H 1 2.696 0.005 . 1 . . . . . 613 D QB . 51624 1 2410 . 2 . 2 90 90 ASP HB3 H 1 2.696 0.005 . 1 . . . . . 613 D QB . 51624 1 2411 . 2 . 2 90 90 ASP C C 13 175.721 0.003 . 1 . . . . . 613 D C . 51624 1 2412 . 2 . 2 90 90 ASP CA C 13 53.848 0.034 . 1 . . . . . 613 D CA . 51624 1 2413 . 2 . 2 90 90 ASP CB C 13 41.056 0.157 . 1 . . . . . 613 D CB . 51624 1 2414 . 2 . 2 90 90 ASP N N 15 119.077 0.1 . 1 . . . . . 613 D N . 51624 1 2415 . 2 . 2 91 91 GLY H H 1 7.66 0.005 . 1 . . . . . 614 G H . 51624 1 2416 . 2 . 2 91 91 GLY HA2 H 1 4.69 0.018 . 2 . . . . . 614 G HA2 . 51624 1 2417 . 2 . 2 91 91 GLY HA3 H 1 4.258 0.014 . 2 . . . . . 614 G HA3 . 51624 1 2418 . 2 . 2 91 91 GLY C C 13 172.06 0.016 . 1 . . . . . 614 G C . 51624 1 2419 . 2 . 2 91 91 GLY CA C 13 45.776 0.138 . 1 . . . . . 614 G CA . 51624 1 2420 . 2 . 2 91 91 GLY N N 15 107.383 0.1 . 1 . . . . . 614 G N . 51624 1 2421 . 2 . 2 92 92 VAL H H 1 8.376 0.013 . 1 . . . . . 615 V H . 51624 1 2422 . 2 . 2 92 92 VAL HA H 1 4.989 0.019 . 1 . . . . . 615 V HA . 51624 1 2423 . 2 . 2 92 92 VAL HB H 1 1.804 0.018 . 1 . . . . . 615 V HB . 51624 1 2424 . 2 . 2 92 92 VAL HG11 H 1 0.792 0.014 . 2 . . . . . 615 V MG1 . 51624 1 2425 . 2 . 2 92 92 VAL HG12 H 1 0.792 0.014 . 2 . . . . . 615 V MG1 . 51624 1 2426 . 2 . 2 92 92 VAL HG13 H 1 0.792 0.014 . 2 . . . . . 615 V MG1 . 51624 1 2427 . 2 . 2 92 92 VAL HG21 H 1 0.819 0 . 2 . . . . . 615 V MG2 . 51624 1 2428 . 2 . 2 92 92 VAL HG22 H 1 0.819 0 . 2 . . . . . 615 V MG2 . 51624 1 2429 . 2 . 2 92 92 VAL HG23 H 1 0.819 0 . 2 . . . . . 615 V MG2 . 51624 1 2430 . 2 . 2 92 92 VAL C C 13 174.329 0.008 . 1 . . . . . 615 V C . 51624 1 2431 . 2 . 2 92 92 VAL CA C 13 60.161 0.157 . 1 . . . . . 615 V CA . 51624 1 2432 . 2 . 2 92 92 VAL CB C 13 35.468 0.338 . 1 . . . . . 615 V CB . 51624 1 2433 . 2 . 2 92 92 VAL CG1 C 13 20.145 0.104 . 1 . . . . . 615 V CG1 . 51624 1 2434 . 2 . 2 92 92 VAL CG2 C 13 21.764 0.039 . 1 . . . . . 615 V CG2 . 51624 1 2435 . 2 . 2 92 92 VAL N N 15 121.101 0.132 . 1 . . . . . 615 V N . 51624 1 2436 . 2 . 2 93 93 THR H H 1 9.112 0.006 . 1 . . . . . 616 T H . 51624 1 2437 . 2 . 2 93 93 THR HA H 1 5.441 0.014 . 1 . . . . . 616 T HA . 51624 1 2438 . 2 . 2 93 93 THR HB H 1 3.834 0.008 . 1 . . . . . 616 T HB . 51624 1 2439 . 2 . 2 93 93 THR HG21 H 1 1.003 0.01 . 1 . . . . . 616 T MG . 51624 1 2440 . 2 . 2 93 93 THR HG22 H 1 1.003 0.01 . 1 . . . . . 616 T MG . 51624 1 2441 . 2 . 2 93 93 THR HG23 H 1 1.003 0.01 . 1 . . . . . 616 T MG . 51624 1 2442 . 2 . 2 93 93 THR C C 13 173.312 0.007 . 1 . . . . . 616 T C . 51624 1 2443 . 2 . 2 93 93 THR CA C 13 61.211 0.362 . 1 . . . . . 616 T CA . 51624 1 2444 . 2 . 2 93 93 THR CB C 13 70.913 0.259 . 1 . . . . . 616 T CB . 51624 1 2445 . 2 . 2 93 93 THR N N 15 121.928 0.081 . 1 . . . . . 616 T N . 51624 1 2446 . 2 . 2 94 94 ILE H H 1 8.811 0.011 . 1 . . . . . 617 I H . 51624 1 2447 . 2 . 2 94 94 ILE HA H 1 4.827 0.033 . 1 . . . . . 617 I HA . 51624 1 2448 . 2 . 2 94 94 ILE HB H 1 1.463 0.013 . 1 . . . . . 617 I HB . 51624 1 2449 . 2 . 2 94 94 ILE HG12 H 1 1.49 0.017 . 2 . . . . . 617 I HG12 . 51624 1 2450 . 2 . 2 94 94 ILE HG13 H 1 0.587 0.026 . 2 . . . . . 617 I HG13 . 51624 1 2451 . 2 . 2 94 94 ILE HG21 H 1 0.314 0.009 . 1 . . . . . 617 I MG . 51624 1 2452 . 2 . 2 94 94 ILE HG22 H 1 0.314 0.009 . 1 . . . . . 617 I MG . 51624 1 2453 . 2 . 2 94 94 ILE HG23 H 1 0.314 0.009 . 1 . . . . . 617 I MG . 51624 1 2454 . 2 . 2 94 94 ILE HD11 H 1 0.376 0.009 . 1 . . . . . 617 I MD . 51624 1 2455 . 2 . 2 94 94 ILE HD12 H 1 0.376 0.009 . 1 . . . . . 617 I MD . 51624 1 2456 . 2 . 2 94 94 ILE HD13 H 1 0.376 0.009 . 1 . . . . . 617 I MD . 51624 1 2457 . 2 . 2 94 94 ILE C C 13 173.623 0.042 . 1 . . . . . 617 I C . 51624 1 2458 . 2 . 2 94 94 ILE CA C 13 60.244 0.228 . 1 . . . . . 617 I CA . 51624 1 2459 . 2 . 2 94 94 ILE CB C 13 39.785 0.118 . 1 . . . . . 617 I CB . 51624 1 2460 . 2 . 2 94 94 ILE CG1 C 13 27.209 0.161 . 1 . . . . . 617 I CG1 . 51624 1 2461 . 2 . 2 94 94 ILE CG2 C 13 18.057 0.145 . 1 . . . . . 617 I CG2 . 51624 1 2462 . 2 . 2 94 94 ILE CD1 C 13 14.136 0.133 . 1 . . . . . 617 I CD1 . 51624 1 2463 . 2 . 2 94 94 ILE N N 15 126.42 0.094 . 1 . . . . . 617 I N . 51624 1 2464 . 2 . 2 95 95 ASP H H 1 9.044 0.009 . 1 . . . . . 618 D H . 51624 1 2465 . 2 . 2 95 95 ASP HA H 1 6.19 0.006 . 1 . . . . . 618 D HA . 51624 1 2466 . 2 . 2 95 95 ASP HB2 H 1 2.992 0.01 . 1 . . . . . 618 D QB . 51624 1 2467 . 2 . 2 95 95 ASP HB3 H 1 2.992 0.01 . 1 . . . . . 618 D QB . 51624 1 2468 . 2 . 2 95 95 ASP C C 13 177.07 0.054 . 1 . . . . . 618 D C . 51624 1 2469 . 2 . 2 95 95 ASP CA C 13 51.679 0.071 . 1 . . . . . 618 D CA . 51624 1 2470 . 2 . 2 95 95 ASP CB C 13 44.386 0.301 . 1 . . . . . 618 D CB . 51624 1 2471 . 2 . 2 95 95 ASP N N 15 127.128 0.076 . 1 . . . . . 618 D N . 51624 1 2472 . 2 . 2 96 96 GLY H H 1 9.042 0.01 . 1 . . . . . 619 G H . 51624 1 2473 . 2 . 2 96 96 GLY HA2 H 1 4.351 0.003 . 2 . . . . . 619 G HA2 . 51624 1 2474 . 2 . 2 96 96 GLY HA3 H 1 4.957 0.004 . 2 . . . . . 619 G HA3 . 51624 1 2475 . 2 . 2 96 96 GLY C C 13 171.893 0.013 . 1 . . . . . 619 G C . 51624 1 2476 . 2 . 2 96 96 GLY CA C 13 47.245 0.016 . 1 . . . . . 619 G CA . 51624 1 2477 . 2 . 2 96 96 GLY N N 15 110.564 0.066 . 1 . . . . . 619 G N . 51624 1 2478 . 2 . 2 97 97 ARG H H 1 7.956 0.004 . 1 . . . . . 620 R H . 51624 1 2479 . 2 . 2 97 97 ARG HA H 1 4.343 0.028 . 1 . . . . . 620 R HA . 51624 1 2480 . 2 . 2 97 97 ARG HB2 H 1 1.846 0.04 . 2 . . . . . 620 R HB2 . 51624 1 2481 . 2 . 2 97 97 ARG HG2 H 1 1.501 0.02 . 1 . . . . . 620 R QG . 51624 1 2482 . 2 . 2 97 97 ARG HG3 H 1 1.501 0.02 . 1 . . . . . 620 R QG . 51624 1 2483 . 2 . 2 97 97 ARG HD2 H 1 3.291 0.02 . 2 . . . . . 620 R HD2 . 51624 1 2484 . 2 . 2 97 97 ARG C C 13 175.947 0.2 . 1 . . . . . 620 R C . 51624 1 2485 . 2 . 2 97 97 ARG CA C 13 56.484 0.054 . 1 . . . . . 620 R CA . 51624 1 2486 . 2 . 2 97 97 ARG CB C 13 30.915 0.2 . 1 . . . . . 620 R CB . 51624 1 2487 . 2 . 2 97 97 ARG N N 15 119.417 0.067 . 1 . . . . . 620 R N . 51624 1 2488 . 2 . 2 98 98 ASP H H 1 8.419 0.004 . 1 . . . . . 621 D H . 51624 1 2489 . 2 . 2 98 98 ASP HA H 1 4.323 0.02 . 1 . . . . . 621 D HA . 51624 1 2490 . 2 . 2 98 98 ASP HB2 H 1 2.633 0.02 . 1 . . . . . 621 D QB . 51624 1 2491 . 2 . 2 98 98 ASP HB3 H 1 2.633 0.02 . 1 . . . . . 621 D QB . 51624 1 2492 . 2 . 2 98 98 ASP C C 13 177.338 0.2 . 1 . . . . . 621 D C . 51624 1 2493 . 2 . 2 98 98 ASP CA C 13 54.655 0.121 . 1 . . . . . 621 D CA . 51624 1 2494 . 2 . 2 98 98 ASP CB C 13 42.46 0.082 . 1 . . . . . 621 D CB . 51624 1 2495 . 2 . 2 98 98 ASP N N 15 122.38 0.126 . 1 . . . . . 621 D N . 51624 1 2496 . 2 . 2 99 99 SER H H 1 8.345 0.007 . 1 . . . . . 622 S H . 51624 1 2497 . 2 . 2 99 99 SER HA H 1 4.429 0.012 . 1 . . . . . 622 S HA . 51624 1 2498 . 2 . 2 99 99 SER HB2 H 1 3.834 0.008 . 1 . . . . . 622 S QB . 51624 1 2499 . 2 . 2 99 99 SER HB3 H 1 3.834 0.008 . 1 . . . . . 622 S QB . 51624 1 2500 . 2 . 2 99 99 SER C C 13 174.613 0.2 . 1 . . . . . 622 S C . 51624 1 2501 . 2 . 2 99 99 SER CA C 13 58.79 0.22 . 1 . . . . . 622 S CA . 51624 1 2502 . 2 . 2 99 99 SER CB C 13 64.065 0.2 . 1 . . . . . 622 S CB . 51624 1 2503 . 2 . 2 99 99 SER N N 15 121.543 0.113 . 1 . . . . . 622 S N . 51624 1 2504 . 2 . 2 101 101 VAL HA H 1 3.669 0.012 . 1 . . . . . 624 V HA . 51624 1 2505 . 2 . 2 101 101 VAL HB H 1 2.145 0.007 . 1 . . . . . 624 V HB . 51624 1 2506 . 2 . 2 101 101 VAL HG11 H 1 1.033 0.028 . 1 . . . . . 624 V QG . 51624 1 2507 . 2 . 2 101 101 VAL HG12 H 1 1.033 0.028 . 1 . . . . . 624 V QG . 51624 1 2508 . 2 . 2 101 101 VAL HG13 H 1 1.033 0.028 . 1 . . . . . 624 V QG . 51624 1 2509 . 2 . 2 101 101 VAL HG21 H 1 1.033 0.028 . 1 . . . . . 624 V QG . 51624 1 2510 . 2 . 2 101 101 VAL HG22 H 1 1.033 0.028 . 1 . . . . . 624 V QG . 51624 1 2511 . 2 . 2 101 101 VAL HG23 H 1 1.033 0.028 . 1 . . . . . 624 V QG . 51624 1 2512 . 2 . 2 101 101 VAL CA C 13 61.75 0.144 . 1 . . . . . 624 V CA . 51624 1 2513 . 2 . 2 101 101 VAL CB C 13 33.115 0.193 . 1 . . . . . 624 V CB . 51624 1 2514 . 2 . 2 102 102 PHE HA H 1 3.642 0.014 . 1 . . . . . 625 F HA . 51624 1 2515 . 2 . 2 102 102 PHE HB2 H 1 2.984 0.017 . 2 . . . . . 625 F HB2 . 51624 1 2516 . 2 . 2 102 102 PHE HB3 H 1 3.066 0.017 . 2 . . . . . 625 F HB3 . 51624 1 2517 . 2 . 2 102 102 PHE HD1 H 1 6.426 0.006 . 1 . . . . . 625 F QD . 51624 1 2518 . 2 . 2 102 102 PHE HD2 H 1 6.426 0.006 . 1 . . . . . 625 F QD . 51624 1 2519 . 2 . 2 102 102 PHE HE1 H 1 7.252 0.008 . 1 . . . . . 625 F QE . 51624 1 2520 . 2 . 2 102 102 PHE HE2 H 1 7.252 0.008 . 1 . . . . . 625 F QE . 51624 1 2521 . 2 . 2 102 102 PHE HZ H 1 7.09 0.012 . 1 . . . . . 625 F HZ . 51624 1 2522 . 2 . 2 103 103 TYR HA H 1 4.033 0.004 . 1 . . . . . 626 Y HA . 51624 1 2523 . 2 . 2 103 103 TYR HB2 H 1 3.37 0.005 . 1 . . . . . 626 Y HB# . 51624 1 2524 . 2 . 2 103 103 TYR HB3 H 1 3.37 0.005 . 1 . . . . . 626 Y HB# . 51624 1 2525 . 2 . 2 103 103 TYR HD1 H 1 7.279 0.01 . 1 . . . . . 626 Y QD . 51624 1 2526 . 2 . 2 103 103 TYR HD2 H 1 7.279 0.01 . 1 . . . . . 626 Y QD . 51624 1 2527 . 2 . 2 103 103 TYR HE1 H 1 6.947 0.004 . 1 . . . . . 626 Y QE . 51624 1 2528 . 2 . 2 103 103 TYR HE2 H 1 6.947 0.004 . 1 . . . . . 626 Y QE . 51624 1 2529 . 2 . 2 103 103 TYR C C 13 178.037 0.2 . 1 . . . . . 626 Y C . 51624 1 2530 . 2 . 2 103 103 TYR CA C 13 58.195 0.055 . 1 . . . . . 626 Y CA . 51624 1 2531 . 2 . 2 103 103 TYR CB C 13 38.214 0.2 . 1 . . . . . 626 Y CB . 51624 1 2532 . 2 . 2 103 103 TYR CE1 C 13 118.027 0.2 . 1 . . . . . 626 Y CE1 . 51624 1 2533 . 2 . 2 103 103 TYR CE2 C 13 118.027 0.2 . 1 . . . . . 626 Y CE2 . 51624 1 2534 . 2 . 2 104 104 ALA H H 1 7.939 0.005 . 1 . . . . . 627 A H . 51624 1 2535 . 2 . 2 104 104 ALA HA H 1 4.249 0.011 . 1 . . . . . 627 A HA . 51624 1 2536 . 2 . 2 104 104 ALA HB1 H 1 1.527 0.003 . 1 . . . . . 627 A MB . 51624 1 2537 . 2 . 2 104 104 ALA HB2 H 1 1.527 0.003 . 1 . . . . . 627 A MB . 51624 1 2538 . 2 . 2 104 104 ALA HB3 H 1 1.527 0.003 . 1 . . . . . 627 A MB . 51624 1 2539 . 2 . 2 104 104 ALA C C 13 181.079 0.2 . 1 . . . . . 627 A C . 51624 1 2540 . 2 . 2 104 104 ALA CA C 13 54.893 0.147 . 1 . . . . . 627 A CA . 51624 1 2541 . 2 . 2 104 104 ALA CB C 13 18.376 0.213 . 1 . . . . . 627 A CB . 51624 1 2542 . 2 . 2 104 104 ALA N N 15 122.993 0.033 . 1 . . . . . 627 A N . 51624 1 2543 . 2 . 2 105 105 VAL H H 1 8.645 0.006 . 1 . . . . . 628 V H . 51624 1 2544 . 2 . 2 105 105 VAL HA H 1 3.336 0.015 . 1 . . . . . 628 V HA . 51624 1 2545 . 2 . 2 105 105 VAL HB H 1 1.944 0.004 . 1 . . . . . 628 V HB . 51624 1 2546 . 2 . 2 105 105 VAL HG11 H 1 0.65 0.01 . 1 . . . . . 628 V MG1 . 51624 1 2547 . 2 . 2 105 105 VAL HG12 H 1 0.65 0.01 . 1 . . . . . 628 V MG1 . 51624 1 2548 . 2 . 2 105 105 VAL HG13 H 1 0.65 0.01 . 1 . . . . . 628 V MG1 . 51624 1 2549 . 2 . 2 105 105 VAL HG21 H 1 0.887 0.013 . 1 . . . . . 628 V MG2 . 51624 1 2550 . 2 . 2 105 105 VAL HG22 H 1 0.887 0.013 . 1 . . . . . 628 V MG2 . 51624 1 2551 . 2 . 2 105 105 VAL HG23 H 1 0.887 0.013 . 1 . . . . . 628 V MG2 . 51624 1 2552 . 2 . 2 105 105 VAL CA C 13 66.498 0.042 . 1 . . . . . 628 V CA . 51624 1 2553 . 2 . 2 105 105 VAL CB C 13 31.153 0.2 . 1 . . . . . 628 V CB . 51624 1 2554 . 2 . 2 105 105 VAL CG1 C 13 22.173 0.064 . 1 . . . . . 628 V CG1 . 51624 1 2555 . 2 . 2 105 105 VAL CG2 C 13 24.949 0.186 . 1 . . . . . 628 V CG2 . 51624 1 2556 . 2 . 2 105 105 VAL N N 15 119.009 0.135 . 1 . . . . . 628 V N . 51624 1 2557 . 2 . 2 106 106 ARG H H 1 8.373 0.008 . 1 . . . . . 629 R H . 51624 1 2558 . 2 . 2 106 106 ARG HA H 1 3.264 0.009 . 1 . . . . . 629 R HA . 51624 1 2559 . 2 . 2 106 106 ARG HB2 H 1 0.923 0.003 . 2 . . . . . 629 R HB2 . 51624 1 2560 . 2 . 2 106 106 ARG HB3 H 1 1.843 0.015 . 2 . . . . . 629 R HB3 . 51624 1 2561 . 2 . 2 106 106 ARG HG2 H 1 0.564 0.02 . 1 . . . . . 629 R QG . 51624 1 2562 . 2 . 2 106 106 ARG HG3 H 1 0.564 0.02 . 1 . . . . . 629 R QG . 51624 1 2563 . 2 . 2 106 106 ARG HD2 H 1 2.676 0.02 . 2 . . . . . 629 R HD2 . 51624 1 2564 . 2 . 2 106 106 ARG HD3 H 1 3.265 0.02 . 2 . . . . . 629 R HD3 . 51624 1 2565 . 2 . 2 106 106 ARG HE H 1 7.392 0.004 . 1 . . . . . 629 R HE . 51624 1 2566 . 2 . 2 106 106 ARG C C 13 176.596 0.2 . 1 . . . . . 629 R C . 51624 1 2567 . 2 . 2 106 106 ARG CA C 13 62.029 0.196 . 1 . . . . . 629 R CA . 51624 1 2568 . 2 . 2 106 106 ARG CB C 13 32.646 0.036 . 1 . . . . . 629 R CB . 51624 1 2569 . 2 . 2 106 106 ARG NE N 15 83.691 0.053 . 1 . . . . . 629 R NE . 51624 1 2570 . 2 . 2 107 107 ASP H H 1 7.816 0.005 . 1 . . . . . 630 D H . 51624 1 2571 . 2 . 2 107 107 ASP HA H 1 4.322 0.016 . 1 . . . . . 630 D HA . 51624 1 2572 . 2 . 2 107 107 ASP HB2 H 1 2.82 0.004 . 2 . . . . . 630 D HB2 . 51624 1 2573 . 2 . 2 107 107 ASP HB3 H 1 2.663 0 . 2 . . . . . 630 D HB3 . 51624 1 2574 . 2 . 2 107 107 ASP C C 13 178.721 0.2 . 1 . . . . . 630 D C . 51624 1 2575 . 2 . 2 107 107 ASP CA C 13 57.693 0.051 . 1 . . . . . 630 D CA . 51624 1 2576 . 2 . 2 107 107 ASP CB C 13 40.518 0.246 . 1 . . . . . 630 D CB . 51624 1 2577 . 2 . 2 107 107 ASP N N 15 117.208 0.048 . 1 . . . . . 630 D N . 51624 1 2578 . 2 . 2 108 108 VAL H H 1 7.155 0.007 . 1 . . . . . 631 V H . 51624 1 2579 . 2 . 2 108 108 VAL HA H 1 3.561 0.013 . 1 . . . . . 631 V HA . 51624 1 2580 . 2 . 2 108 108 VAL HB H 1 2.393 0.015 . 1 . . . . . 631 V HB . 51624 1 2581 . 2 . 2 108 108 VAL HG11 H 1 0.943 0.016 . 1 . . . . . 631 V MG1 . 51624 1 2582 . 2 . 2 108 108 VAL HG12 H 1 0.943 0.016 . 1 . . . . . 631 V MG1 . 51624 1 2583 . 2 . 2 108 108 VAL HG13 H 1 0.943 0.016 . 1 . . . . . 631 V MG1 . 51624 1 2584 . 2 . 2 108 108 VAL HG21 H 1 0.974 0.009 . 1 . . . . . 631 V MG2 . 51624 1 2585 . 2 . 2 108 108 VAL HG22 H 1 0.974 0.009 . 1 . . . . . 631 V MG2 . 51624 1 2586 . 2 . 2 108 108 VAL HG23 H 1 0.974 0.009 . 1 . . . . . 631 V MG2 . 51624 1 2587 . 2 . 2 108 108 VAL C C 13 178.66 0.048 . 1 . . . . . 631 V C . 51624 1 2588 . 2 . 2 108 108 VAL CA C 13 67.09 0.136 . 1 . . . . . 631 V CA . 51624 1 2589 . 2 . 2 108 108 VAL CB C 13 30.967 0.135 . 1 . . . . . 631 V CB . 51624 1 2590 . 2 . 2 108 108 VAL CG1 C 13 22.127 0.19 . 1 . . . . . 631 V CG1 . 51624 1 2591 . 2 . 2 108 108 VAL CG2 C 13 22.522 0.042 . 1 . . . . . 631 V CG2 . 51624 1 2592 . 2 . 2 108 108 VAL N N 15 118.833 0.123 . 1 . . . . . 631 V N . 51624 1 2593 . 2 . 2 109 109 VAL H H 1 7.93 0.01 . 1 . . . . . 632 V H . 51624 1 2594 . 2 . 2 109 109 VAL HA H 1 3.467 0.045 . 1 . . . . . 632 V HA . 51624 1 2595 . 2 . 2 109 109 VAL HB H 1 2.035 0.022 . 1 . . . . . 632 V HB . 51624 1 2596 . 2 . 2 109 109 VAL HG11 H 1 0.843 0.016 . 1 . . . . . 632 V MG1 . 51624 1 2597 . 2 . 2 109 109 VAL HG12 H 1 0.843 0.016 . 1 . . . . . 632 V MG1 . 51624 1 2598 . 2 . 2 109 109 VAL HG13 H 1 0.843 0.016 . 1 . . . . . 632 V MG1 . 51624 1 2599 . 2 . 2 109 109 VAL HG21 H 1 0.873 0.003 . 1 . . . . . 632 V MG2 . 51624 1 2600 . 2 . 2 109 109 VAL HG22 H 1 0.873 0.003 . 1 . . . . . 632 V MG2 . 51624 1 2601 . 2 . 2 109 109 VAL HG23 H 1 0.873 0.003 . 1 . . . . . 632 V MG2 . 51624 1 2602 . 2 . 2 109 109 VAL C C 13 179.789 0.018 . 1 . . . . . 632 V C . 51624 1 2603 . 2 . 2 109 109 VAL CA C 13 66.957 0.195 . 1 . . . . . 632 V CA . 51624 1 2604 . 2 . 2 109 109 VAL CB C 13 30.659 0.182 . 1 . . . . . 632 V CB . 51624 1 2605 . 2 . 2 109 109 VAL CG1 C 13 22.474 0.004 . 1 . . . . . 632 V CG1 . 51624 1 2606 . 2 . 2 109 109 VAL CG2 C 13 22.404 0.074 . 1 . . . . . 632 V CG2 . 51624 1 2607 . 2 . 2 109 109 VAL N N 15 122.234 0.103 . 1 . . . . . 632 V N . 51624 1 2608 . 2 . 2 110 110 TYR H H 1 9.126 0.009 . 1 . . . . . 633 Y H . 51624 1 2609 . 2 . 2 110 110 TYR HA H 1 4.539 0.012 . 1 . . . . . 633 Y HA . 51624 1 2610 . 2 . 2 110 110 TYR HB2 H 1 3.288 0.026 . 1 . . . . . 633 Y QB . 51624 1 2611 . 2 . 2 110 110 TYR HB3 H 1 3.288 0.026 . 1 . . . . . 633 Y QB . 51624 1 2612 . 2 . 2 110 110 TYR HD1 H 1 6.937 0.013 . 1 . . . . . 633 Y QD . 51624 1 2613 . 2 . 2 110 110 TYR HD2 H 1 6.937 0.013 . 1 . . . . . 633 Y QD . 51624 1 2614 . 2 . 2 110 110 TYR HE1 H 1 6.679 0.013 . 1 . . . . . 633 Y QE . 51624 1 2615 . 2 . 2 110 110 TYR HE2 H 1 6.679 0.013 . 1 . . . . . 633 Y QE . 51624 1 2616 . 2 . 2 110 110 TYR C C 13 177.945 0.001 . 1 . . . . . 633 Y C . 51624 1 2617 . 2 . 2 110 110 TYR CA C 13 57.074 0.033 . 1 . . . . . 633 Y CA . 51624 1 2618 . 2 . 2 110 110 TYR CB C 13 35.641 0.2 . 1 . . . . . 633 Y CB . 51624 1 2619 . 2 . 2 110 110 TYR CE1 C 13 117.862 0.2 . 1 . . . . . 633 Y CE1 . 51624 1 2620 . 2 . 2 110 110 TYR CE2 C 13 117.862 0.2 . 1 . . . . . 633 Y CE2 . 51624 1 2621 . 2 . 2 110 110 TYR N N 15 121.128 0.078 . 1 . . . . . 633 Y N . 51624 1 2622 . 2 . 2 111 111 ARG H H 1 7.979 0.008 . 1 . . . . . 634 R H . 51624 1 2623 . 2 . 2 111 111 ARG HA H 1 4.503 0.022 . 1 . . . . . 634 R HA . 51624 1 2624 . 2 . 2 111 111 ARG HB2 H 1 2.052 0.009 . 1 . . . . . 634 R QB . 51624 1 2625 . 2 . 2 111 111 ARG HB3 H 1 2.052 0.009 . 1 . . . . . 634 R QB . 51624 1 2626 . 2 . 2 111 111 ARG HG2 H 1 1.856 0.014 . 1 . . . . . 634 R QG . 51624 1 2627 . 2 . 2 111 111 ARG HG3 H 1 1.856 0.014 . 1 . . . . . 634 R QG . 51624 1 2628 . 2 . 2 111 111 ARG HD2 H 1 3.246 0.003 . 1 . . . . . 634 R QD . 51624 1 2629 . 2 . 2 111 111 ARG HD3 H 1 3.246 0.003 . 1 . . . . . 634 R QD . 51624 1 2630 . 2 . 2 111 111 ARG C C 13 177.726 0.2 . 1 . . . . . 634 R C . 51624 1 2631 . 2 . 2 111 111 ARG CA C 13 58.278 0.052 . 1 . . . . . 634 R CA . 51624 1 2632 . 2 . 2 111 111 ARG CB C 13 30.8 0.087 . 1 . . . . . 634 R CB . 51624 1 2633 . 2 . 2 111 111 ARG CG C 13 28.101 0.054 . 1 . . . . . 634 R CG . 51624 1 2634 . 2 . 2 111 111 ARG CD C 13 44.041 0.1 . 1 . . . . . 634 R CD . 51624 1 2635 . 2 . 2 111 111 ARG N N 15 118.472 0.028 . 1 . . . . . 634 R N . 51624 1 2636 . 2 . 2 112 112 SER H H 1 7.691 0.005 . 1 . . . . . 635 S H . 51624 1 2637 . 2 . 2 112 112 SER HA H 1 4.584 0.029 . 1 . . . . . 635 S HA . 51624 1 2638 . 2 . 2 112 112 SER HB2 H 1 3.981 0.003 . 2 . . . . . 635 S HB2 . 51624 1 2639 . 2 . 2 112 112 SER HB3 H 1 4.149 0.016 . 2 . . . . . 635 S HB3 . 51624 1 2640 . 2 . 2 112 112 SER C C 13 171.782 0.036 . 1 . . . . . 635 S C . 51624 1 2641 . 2 . 2 112 112 SER CA C 13 58.278 0.034 . 1 . . . . . 635 S CA . 51624 1 2642 . 2 . 2 112 112 SER CB C 13 63.769 0.137 . 1 . . . . . 635 S CB . 51624 1 2643 . 2 . 2 112 112 SER N N 15 114.359 0.067 . 1 . . . . . 635 S N . 51624 1 2644 . 2 . 2 113 113 SER H H 1 7.53 0.006 . 1 . . . . . 636 S H . 51624 1 2645 . 2 . 2 113 113 SER HA H 1 5.14 0.01 . 1 . . . . . 636 S HA . 51624 1 2646 . 2 . 2 113 113 SER HB2 H 1 3.413 0.006 . 2 . . . . . 636 S HB2 . 51624 1 2647 . 2 . 2 113 113 SER HB3 H 1 3.571 0.014 . 2 . . . . . 636 S HB3 . 51624 1 2648 . 2 . 2 113 113 SER C C 13 171.05 0.001 . 1 . . . . . 636 S C . 51624 1 2649 . 2 . 2 113 113 SER CA C 13 57.086 0.19 . 1 . . . . . 636 S CA . 51624 1 2650 . 2 . 2 113 113 SER CB C 13 67.098 0.079 . 1 . . . . . 636 S CB . 51624 1 2651 . 2 . 2 113 113 SER N N 15 113.833 0.115 . 1 . . . . . 636 S N . 51624 1 2652 . 2 . 2 114 114 ALA H H 1 8.853 0.008 . 1 . . . . . 637 A H . 51624 1 2653 . 2 . 2 114 114 ALA HA H 1 4.582 0.01 . 1 . . . . . 637 A HA . 51624 1 2654 . 2 . 2 114 114 ALA HB1 H 1 0.963 0.008 . 1 . . . . . 637 A MB . 51624 1 2655 . 2 . 2 114 114 ALA HB2 H 1 0.963 0.008 . 1 . . . . . 637 A MB . 51624 1 2656 . 2 . 2 114 114 ALA HB3 H 1 0.963 0.008 . 1 . . . . . 637 A MB . 51624 1 2657 . 2 . 2 114 114 ALA C C 13 174.805 0.025 . 1 . . . . . 637 A C . 51624 1 2658 . 2 . 2 114 114 ALA CA C 13 51.333 0.098 . 1 . . . . . 637 A CA . 51624 1 2659 . 2 . 2 114 114 ALA CB C 13 21.734 0.409 . 1 . . . . . 637 A CB . 51624 1 2660 . 2 . 2 114 114 ALA N N 15 118.743 0.083 . 1 . . . . . 637 A N . 51624 1 2661 . 2 . 2 115 115 PHE H H 1 8.298 0.013 . 1 . . . . . 638 F H . 51624 1 2662 . 2 . 2 115 115 PHE HA H 1 4.882 0.012 . 1 . . . . . 638 F HA . 51624 1 2663 . 2 . 2 115 115 PHE HB2 H 1 2.916 0.007 . 2 . . . . . 638 F HB2 . 51624 1 2664 . 2 . 2 115 115 PHE HB3 H 1 3.141 0.004 . 2 . . . . . 638 F HB3 . 51624 1 2665 . 2 . 2 115 115 PHE HD1 H 1 7.143 0.006 . 1 . . . . . 638 F QD . 51624 1 2666 . 2 . 2 115 115 PHE HD2 H 1 7.143 0.006 . 1 . . . . . 638 F QD . 51624 1 2667 . 2 . 2 115 115 PHE HE1 H 1 6.841 0.011 . 1 . . . . . 638 F QE . 51624 1 2668 . 2 . 2 115 115 PHE HE2 H 1 6.841 0.011 . 1 . . . . . 638 F QE . 51624 1 2669 . 2 . 2 115 115 PHE HZ H 1 6.821 0.004 . 1 . . . . . 638 F HZ . 51624 1 2670 . 2 . 2 115 115 PHE C C 13 175.743 0.038 . 1 . . . . . 638 F C . 51624 1 2671 . 2 . 2 115 115 PHE CA C 13 56.832 0.187 . 1 . . . . . 638 F CA . 51624 1 2672 . 2 . 2 115 115 PHE CB C 13 37.747 0.059 . 1 . . . . . 638 F CB . 51624 1 2673 . 2 . 2 115 115 PHE N N 15 122.284 0.187 . 1 . . . . . 638 F N . 51624 1 2674 . 2 . 2 116 116 ILE H H 1 8.587 0.01 . 1 . . . . . 639 I H . 51624 1 2675 . 2 . 2 116 116 ILE HA H 1 4.43 0.015 . 1 . . . . . 639 I HA . 51624 1 2676 . 2 . 2 116 116 ILE HB H 1 2.238 0.008 . 1 . . . . . 639 I HB . 51624 1 2677 . 2 . 2 116 116 ILE HG12 H 1 0.972 0.008 . 2 . . . . . 639 I HG12 . 51624 1 2678 . 2 . 2 116 116 ILE HG13 H 1 1.354 0.005 . 2 . . . . . 639 I HG13 . 51624 1 2679 . 2 . 2 116 116 ILE HG21 H 1 0.671 0.005 . 1 . . . . . 639 I MG . 51624 1 2680 . 2 . 2 116 116 ILE HG22 H 1 0.671 0.005 . 1 . . . . . 639 I MG . 51624 1 2681 . 2 . 2 116 116 ILE HG23 H 1 0.671 0.005 . 1 . . . . . 639 I MG . 51624 1 2682 . 2 . 2 116 116 ILE HD11 H 1 0.703 0.009 . 1 . . . . . 639 I MD . 51624 1 2683 . 2 . 2 116 116 ILE HD12 H 1 0.703 0.009 . 1 . . . . . 639 I MD . 51624 1 2684 . 2 . 2 116 116 ILE HD13 H 1 0.703 0.009 . 1 . . . . . 639 I MD . 51624 1 2685 . 2 . 2 116 116 ILE C C 13 180.475 0.2 . 1 . . . . . 639 I C . 51624 1 2686 . 2 . 2 116 116 ILE CA C 13 62.399 0.144 . 1 . . . . . 639 I CA . 51624 1 2687 . 2 . 2 116 116 ILE CB C 13 39.439 0.255 . 1 . . . . . 639 I CB . 51624 1 2688 . 2 . 2 116 116 ILE CG1 C 13 26.782 0.315 . 1 . . . . . 639 I CG1 . 51624 1 2689 . 2 . 2 116 116 ILE CG2 C 13 18.584 0.119 . 1 . . . . . 639 I CG2 . 51624 1 2690 . 2 . 2 116 116 ILE CD1 C 13 14.597 0.074 . 1 . . . . . 639 I CD1 . 51624 1 2691 . 2 . 2 116 116 ILE N N 15 124.171 0.099 . 1 . . . . . 639 I N . 51624 1 stop_ save_