data_34200 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34200 _Entry.Title ; NMR structure of the C-terminal domain of the human RPAP3 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-14 _Entry.Accession_date 2017-11-17 _Entry.Last_release_date 2017-11-17 _Entry.Original_release_date 2017-11-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 . _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 P. Fabre P. . . . 34200 2 M. Chagot M. E. . . 34200 3 B. Bragantini B. . . . 34200 4 X. Manival X. . . . 34200 5 M. Quinternet M. . . . 34200 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PIH . 34200 R2TP . 34200 'RNA polymerase' . 34200 RUVBL1 . 34200 RUVBL2 . 34200 Rvb1 . 34200 Rvb2 . 34200 snoRNP . 34200 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34200 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 615 34200 '15N chemical shifts' 142 34200 '1H chemical shifts' 1041 34200 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 . . 2019-08-14 2017-11-14 update BMRB 'update entry citation' 34200 1 . . 2018-04-13 2017-11-14 original author 'original release' 34200 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6EZ4 'BMRB Entry Tracking System' 34200 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34200 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29844425 _Citation.Full_citation . _Citation.Title ; The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 2093 _Citation.Page_last 2093 _Citation.Year 2018 _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 Chloe Maurizy C. . . . 34200 1 2 Marc Quinternet M. . . . 34200 1 3 Yoann Abel Y. . . . 34200 1 4 Celine Verheggen C. . . . 34200 1 5 Paulo Santo P. E. . . 34200 1 6 Maxime Bourguet M. . . . 34200 1 7 Ana 'C F Paiva' A. . . . 34200 1 8 Benoit Bragantini B. . . . 34200 1 9 Marie-Eve Chagot M. E. . . 34200 1 10 Marie-Cecile Robert M. C. . . 34200 1 11 Claire Abeza C. . . . 34200 1 12 Philippe Fabre P. . . . 34200 1 13 Philippe Fort P. . . . 34200 1 14 Franck Vandermoere F. . . . 34200 1 15 Pedro 'M F Sousa' P. . . . 34200 1 16 Jean-Christophe Rain J. C. . . 34200 1 17 Bruno Charpentier B. . . . 34200 1 18 Sarah Cianferani S. . . . 34200 1 19 Tiago Bandeiras T. M. . . 34200 1 20 Berengere Pradet-Balade B. . . . 34200 1 21 Xavier Manival X. . . . 34200 1 22 Edouard Bertrand E. . . . 34200 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34200 _Assembly.ID 1 _Assembly.Name 'RNA polymerase II-associated protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity_1 1 $entity_1 A A yes . . . . . . 34200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34200 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMAQFATTVLPPIPANSF QLESDFRQLKSSPDMLYQYL KQIEPSLYPKLFQKNLDPDV FNQIVKILHDFYIEKEKPLL IFEILQRLSELKRFDMAVMF MSETEKKIARALFNHIDKSG LKDSSVEELKKRYGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15804.365 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 531 GLY . 34200 1 2 532 PRO . 34200 1 3 533 HIS . 34200 1 4 534 MET . 34200 1 5 535 ALA . 34200 1 6 536 GLN . 34200 1 7 537 PHE . 34200 1 8 538 ALA . 34200 1 9 539 THR . 34200 1 10 540 THR . 34200 1 11 541 VAL . 34200 1 12 542 LEU . 34200 1 13 543 PRO . 34200 1 14 544 PRO . 34200 1 15 545 ILE . 34200 1 16 546 PRO . 34200 1 17 547 ALA . 34200 1 18 548 ASN . 34200 1 19 549 SER . 34200 1 20 550 PHE . 34200 1 21 551 GLN . 34200 1 22 552 LEU . 34200 1 23 553 GLU . 34200 1 24 554 SER . 34200 1 25 555 ASP . 34200 1 26 556 PHE . 34200 1 27 557 ARG . 34200 1 28 558 GLN . 34200 1 29 559 LEU . 34200 1 30 560 LYS . 34200 1 31 561 SER . 34200 1 32 562 SER . 34200 1 33 563 PRO . 34200 1 34 564 ASP . 34200 1 35 565 MET . 34200 1 36 566 LEU . 34200 1 37 567 TYR . 34200 1 38 568 GLN . 34200 1 39 569 TYR . 34200 1 40 570 LEU . 34200 1 41 571 LYS . 34200 1 42 572 GLN . 34200 1 43 573 ILE . 34200 1 44 574 GLU . 34200 1 45 575 PRO . 34200 1 46 576 SER . 34200 1 47 577 LEU . 34200 1 48 578 TYR . 34200 1 49 579 PRO . 34200 1 50 580 LYS . 34200 1 51 581 LEU . 34200 1 52 582 PHE . 34200 1 53 583 GLN . 34200 1 54 584 LYS . 34200 1 55 585 ASN . 34200 1 56 586 LEU . 34200 1 57 587 ASP . 34200 1 58 588 PRO . 34200 1 59 589 ASP . 34200 1 60 590 VAL . 34200 1 61 591 PHE . 34200 1 62 592 ASN . 34200 1 63 593 GLN . 34200 1 64 594 ILE . 34200 1 65 595 VAL . 34200 1 66 596 LYS . 34200 1 67 597 ILE . 34200 1 68 598 LEU . 34200 1 69 599 HIS . 34200 1 70 600 ASP . 34200 1 71 601 PHE . 34200 1 72 602 TYR . 34200 1 73 603 ILE . 34200 1 74 604 GLU . 34200 1 75 605 LYS . 34200 1 76 606 GLU . 34200 1 77 607 LYS . 34200 1 78 608 PRO . 34200 1 79 609 LEU . 34200 1 80 610 LEU . 34200 1 81 611 ILE . 34200 1 82 612 PHE . 34200 1 83 613 GLU . 34200 1 84 614 ILE . 34200 1 85 615 LEU . 34200 1 86 616 GLN . 34200 1 87 617 ARG . 34200 1 88 618 LEU . 34200 1 89 619 SER . 34200 1 90 620 GLU . 34200 1 91 621 LEU . 34200 1 92 622 LYS . 34200 1 93 623 ARG . 34200 1 94 624 PHE . 34200 1 95 625 ASP . 34200 1 96 626 MET . 34200 1 97 627 ALA . 34200 1 98 628 VAL . 34200 1 99 629 MET . 34200 1 100 630 PHE . 34200 1 101 631 MET . 34200 1 102 632 SER . 34200 1 103 633 GLU . 34200 1 104 634 THR . 34200 1 105 635 GLU . 34200 1 106 636 LYS . 34200 1 107 637 LYS . 34200 1 108 638 ILE . 34200 1 109 639 ALA . 34200 1 110 640 ARG . 34200 1 111 641 ALA . 34200 1 112 642 LEU . 34200 1 113 643 PHE . 34200 1 114 644 ASN . 34200 1 115 645 HIS . 34200 1 116 646 ILE . 34200 1 117 647 ASP . 34200 1 118 648 LYS . 34200 1 119 649 SER . 34200 1 120 650 GLY . 34200 1 121 651 LEU . 34200 1 122 652 LYS . 34200 1 123 653 ASP . 34200 1 124 654 SER . 34200 1 125 655 SER . 34200 1 126 656 VAL . 34200 1 127 657 GLU . 34200 1 128 658 GLU . 34200 1 129 659 LEU . 34200 1 130 660 LYS . 34200 1 131 661 LYS . 34200 1 132 662 ARG . 34200 1 133 663 TYR . 34200 1 134 664 GLY . 34200 1 135 665 GLY . 34200 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 34200 1 . PRO 2 2 34200 1 . HIS 3 3 34200 1 . MET 4 4 34200 1 . ALA 5 5 34200 1 . GLN 6 6 34200 1 . PHE 7 7 34200 1 . ALA 8 8 34200 1 . THR 9 9 34200 1 . THR 10 10 34200 1 . VAL 11 11 34200 1 . LEU 12 12 34200 1 . PRO 13 13 34200 1 . PRO 14 14 34200 1 . ILE 15 15 34200 1 . PRO 16 16 34200 1 . ALA 17 17 34200 1 . ASN 18 18 34200 1 . SER 19 19 34200 1 . PHE 20 20 34200 1 . GLN 21 21 34200 1 . LEU 22 22 34200 1 . GLU 23 23 34200 1 . SER 24 24 34200 1 . ASP 25 25 34200 1 . PHE 26 26 34200 1 . ARG 27 27 34200 1 . GLN 28 28 34200 1 . LEU 29 29 34200 1 . LYS 30 30 34200 1 . SER 31 31 34200 1 . SER 32 32 34200 1 . PRO 33 33 34200 1 . ASP 34 34 34200 1 . MET 35 35 34200 1 . LEU 36 36 34200 1 . TYR 37 37 34200 1 . GLN 38 38 34200 1 . TYR 39 39 34200 1 . LEU 40 40 34200 1 . LYS 41 41 34200 1 . GLN 42 42 34200 1 . ILE 43 43 34200 1 . GLU 44 44 34200 1 . PRO 45 45 34200 1 . SER 46 46 34200 1 . LEU 47 47 34200 1 . TYR 48 48 34200 1 . PRO 49 49 34200 1 . LYS 50 50 34200 1 . LEU 51 51 34200 1 . PHE 52 52 34200 1 . GLN 53 53 34200 1 . LYS 54 54 34200 1 . ASN 55 55 34200 1 . LEU 56 56 34200 1 . ASP 57 57 34200 1 . PRO 58 58 34200 1 . ASP 59 59 34200 1 . VAL 60 60 34200 1 . PHE 61 61 34200 1 . ASN 62 62 34200 1 . GLN 63 63 34200 1 . ILE 64 64 34200 1 . VAL 65 65 34200 1 . LYS 66 66 34200 1 . ILE 67 67 34200 1 . LEU 68 68 34200 1 . HIS 69 69 34200 1 . ASP 70 70 34200 1 . PHE 71 71 34200 1 . TYR 72 72 34200 1 . ILE 73 73 34200 1 . GLU 74 74 34200 1 . LYS 75 75 34200 1 . GLU 76 76 34200 1 . LYS 77 77 34200 1 . PRO 78 78 34200 1 . LEU 79 79 34200 1 . LEU 80 80 34200 1 . ILE 81 81 34200 1 . PHE 82 82 34200 1 . GLU 83 83 34200 1 . ILE 84 84 34200 1 . LEU 85 85 34200 1 . GLN 86 86 34200 1 . ARG 87 87 34200 1 . LEU 88 88 34200 1 . SER 89 89 34200 1 . GLU 90 90 34200 1 . LEU 91 91 34200 1 . LYS 92 92 34200 1 . ARG 93 93 34200 1 . PHE 94 94 34200 1 . ASP 95 95 34200 1 . MET 96 96 34200 1 . ALA 97 97 34200 1 . VAL 98 98 34200 1 . MET 99 99 34200 1 . PHE 100 100 34200 1 . MET 101 101 34200 1 . SER 102 102 34200 1 . GLU 103 103 34200 1 . THR 104 104 34200 1 . GLU 105 105 34200 1 . LYS 106 106 34200 1 . LYS 107 107 34200 1 . ILE 108 108 34200 1 . ALA 109 109 34200 1 . ARG 110 110 34200 1 . ALA 111 111 34200 1 . LEU 112 112 34200 1 . PHE 113 113 34200 1 . ASN 114 114 34200 1 . HIS 115 115 34200 1 . ILE 116 116 34200 1 . ASP 117 117 34200 1 . LYS 118 118 34200 1 . SER 119 119 34200 1 . GLY 120 120 34200 1 . LEU 121 121 34200 1 . LYS 122 122 34200 1 . ASP 123 123 34200 1 . SER 124 124 34200 1 . SER 125 125 34200 1 . VAL 126 126 34200 1 . GLU 127 127 34200 1 . GLU 128 128 34200 1 . LEU 129 129 34200 1 . LYS 130 130 34200 1 . LYS 131 131 34200 1 . ARG 132 132 34200 1 . TYR 133 133 34200 1 . GLY 134 134 34200 1 . GLY 135 135 34200 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34200 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RPAP3 . 34200 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34200 _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' . . . . . . . . . . . . . . 'BL21-Gold(DE3)pLysS AG' 34200 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34200 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'RPAP3 C-terminal domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34200 1 2 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 34200 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34200 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34200 1 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 34200 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 34200 1 pH 6.4 . pH 34200 1 pressure 1 . atm 34200 1 temperature 298 . K 34200 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34200 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34200 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34200 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34200 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34200 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34200 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34200 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34200 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34200 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34200 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34200 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34200 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34200 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34200 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34200 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 34200 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34200 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34200 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34200 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 10 '3D (H)CCCONH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 12 '3D HNHA' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 13 '3D HNCO E.cosy' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 14 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 15 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 16 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 1 18 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34200 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 34200 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 external indirect 0.25144953 . . . . . 34200 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 34200 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 34200 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 34200 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 HSQC' . . . 34200 1 2 '2D 1H-13C HSQC aliphatic' . . . 34200 1 3 '2D 1H-13C HSQC aromatic' . . . 34200 1 4 '3D HNCA' . . . 34200 1 5 '3D HNCACB' . . . 34200 1 6 '2D 1H-1H NOESY' . . . 34200 1 7 '3D HBHA(CO)NH' . . . 34200 1 8 '3D HCCH-COSY' . . . 34200 1 9 '3D HCCH-TOCSY' . . . 34200 1 10 '3D (H)CCCONH' . . . 34200 1 11 '3D H(CCO)NH' . . . 34200 1 12 '3D HNHA' . . . 34200 1 13 '3D HNCO E.cosy' . . . 34200 1 14 '3D HNCACO' . . . 34200 1 15 '3D HNCO' . . . 34200 1 16 '3D CBCA(CO)NH' . . . 34200 1 17 '3D 1H-13C NOESY' . . . 34200 1 18 '3D 1H-15N NOESY' . . . 34200 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.463 0.020 . 1 . . . . A 532 PRO HA . 34200 1 2 . 1 1 2 2 PRO HB2 H 1 1.864 0.020 . 1 . . . . A 532 PRO HB2 . 34200 1 3 . 1 1 2 2 PRO HB3 H 1 2.275 0.020 . 1 . . . . A 532 PRO HB3 . 34200 1 4 . 1 1 2 2 PRO HG2 H 1 1.959 0.020 . 1 . . . . A 532 PRO HG2 . 34200 1 5 . 1 1 2 2 PRO HG3 H 1 2.017 0.020 . 1 . . . . A 532 PRO HG3 . 34200 1 6 . 1 1 2 2 PRO HD2 H 1 3.573 0.020 . 2 . . . . A 532 PRO HD2 . 34200 1 7 . 1 1 2 2 PRO HD3 H 1 3.573 0.020 . 2 . . . . A 532 PRO HD3 . 34200 1 8 . 1 1 2 2 PRO C C 13 176.615 0.300 . 1 . . . . A 532 PRO C . 34200 1 9 . 1 1 2 2 PRO CA C 13 63.032 0.300 . 1 . . . . A 532 PRO CA . 34200 1 10 . 1 1 2 2 PRO CB C 13 32.360 0.300 . 1 . . . . A 532 PRO CB . 34200 1 11 . 1 1 2 2 PRO CG C 13 26.993 0.300 . 1 . . . . A 532 PRO CG . 34200 1 12 . 1 1 2 2 PRO CD C 13 49.634 0.300 . 1 . . . . A 532 PRO CD . 34200 1 13 . 1 1 3 3 HIS H H 1 8.627 0.020 . 1 . . . . A 533 HIS H . 34200 1 14 . 1 1 3 3 HIS HA H 1 4.657 0.020 . 1 . . . . A 533 HIS HA . 34200 1 15 . 1 1 3 3 HIS HB2 H 1 3.174 0.020 . 2 . . . . A 533 HIS HB2 . 34200 1 16 . 1 1 3 3 HIS HB3 H 1 3.174 0.020 . 2 . . . . A 533 HIS HB3 . 34200 1 17 . 1 1 3 3 HIS C C 13 174.951 0.300 . 1 . . . . A 533 HIS C . 34200 1 18 . 1 1 3 3 HIS CA C 13 55.928 0.300 . 1 . . . . A 533 HIS CA . 34200 1 19 . 1 1 3 3 HIS CB C 13 29.892 0.300 . 1 . . . . A 533 HIS CB . 34200 1 20 . 1 1 3 3 HIS N N 15 119.961 0.300 . 1 . . . . A 533 HIS N . 34200 1 21 . 1 1 4 4 MET H H 1 8.360 0.020 . 1 . . . . A 534 MET H . 34200 1 22 . 1 1 4 4 MET HA H 1 4.472 0.020 . 1 . . . . A 534 MET HA . 34200 1 23 . 1 1 4 4 MET HB2 H 1 1.974 0.020 . 1 . . . . A 534 MET HB2 . 34200 1 24 . 1 1 4 4 MET HB3 H 1 2.059 0.020 . 1 . . . . A 534 MET HB3 . 34200 1 25 . 1 1 4 4 MET HG2 H 1 2.516 0.020 . 1 . . . . A 534 MET HG2 . 34200 1 26 . 1 1 4 4 MET HG3 H 1 2.584 0.020 . 1 . . . . A 534 MET HG3 . 34200 1 27 . 1 1 4 4 MET HE1 H 1 2.104 0.020 . 1 . . . . A 534 MET HE1 . 34200 1 28 . 1 1 4 4 MET HE2 H 1 2.104 0.020 . 1 . . . . A 534 MET HE2 . 34200 1 29 . 1 1 4 4 MET HE3 H 1 2.104 0.020 . 1 . . . . A 534 MET HE3 . 34200 1 30 . 1 1 4 4 MET C C 13 175.719 0.300 . 1 . . . . A 534 MET C . 34200 1 31 . 1 1 4 4 MET CA C 13 55.241 0.300 . 1 . . . . A 534 MET CA . 34200 1 32 . 1 1 4 4 MET CB C 13 33.164 0.300 . 1 . . . . A 534 MET CB . 34200 1 33 . 1 1 4 4 MET CG C 13 31.786 0.300 . 1 . . . . A 534 MET CG . 34200 1 34 . 1 1 4 4 MET CE C 13 16.922 0.300 . 1 . . . . A 534 MET CE . 34200 1 35 . 1 1 4 4 MET N N 15 122.609 0.300 . 1 . . . . A 534 MET N . 34200 1 36 . 1 1 5 5 ALA H H 1 8.404 0.020 . 1 . . . . A 535 ALA H . 34200 1 37 . 1 1 5 5 ALA HA H 1 4.252 0.020 . 1 . . . . A 535 ALA HA . 34200 1 38 . 1 1 5 5 ALA HB1 H 1 1.405 0.020 . 1 . . . . A 535 ALA HB1 . 34200 1 39 . 1 1 5 5 ALA HB2 H 1 1.405 0.020 . 1 . . . . A 535 ALA HB2 . 34200 1 40 . 1 1 5 5 ALA HB3 H 1 1.405 0.020 . 1 . . . . A 535 ALA HB3 . 34200 1 41 . 1 1 5 5 ALA C C 13 177.415 0.300 . 1 . . . . A 535 ALA C . 34200 1 42 . 1 1 5 5 ALA CA C 13 52.572 0.300 . 1 . . . . A 535 ALA CA . 34200 1 43 . 1 1 5 5 ALA CB C 13 19.259 0.300 . 1 . . . . A 535 ALA CB . 34200 1 44 . 1 1 5 5 ALA N N 15 125.662 0.300 . 1 . . . . A 535 ALA N . 34200 1 45 . 1 1 6 6 GLN H H 1 8.292 0.020 . 1 . . . . A 536 GLN H . 34200 1 46 . 1 1 6 6 GLN HA H 1 4.228 0.020 . 1 . . . . A 536 GLN HA . 34200 1 47 . 1 1 6 6 GLN HB2 H 1 1.912 0.020 . 2 . . . . A 536 GLN HB2 . 34200 1 48 . 1 1 6 6 GLN HB3 H 1 1.912 0.020 . 2 . . . . A 536 GLN HB3 . 34200 1 49 . 1 1 6 6 GLN HG2 H 1 2.173 0.020 . 1 . . . . A 536 GLN HG2 . 34200 1 50 . 1 1 6 6 GLN HG3 H 1 2.219 0.020 . 1 . . . . A 536 GLN HG3 . 34200 1 51 . 1 1 6 6 GLN HE21 H 1 7.469 0.020 . 1 . . . . A 536 GLN HE21 . 34200 1 52 . 1 1 6 6 GLN HE22 H 1 6.855 0.020 . 1 . . . . A 536 GLN HE22 . 34200 1 53 . 1 1 6 6 GLN C C 13 175.602 0.300 . 1 . . . . A 536 GLN C . 34200 1 54 . 1 1 6 6 GLN CA C 13 55.983 0.300 . 1 . . . . A 536 GLN CA . 34200 1 55 . 1 1 6 6 GLN CB C 13 29.599 0.300 . 1 . . . . A 536 GLN CB . 34200 1 56 . 1 1 6 6 GLN CG C 13 33.690 0.300 . 1 . . . . A 536 GLN CG . 34200 1 57 . 1 1 6 6 GLN N N 15 119.294 0.300 . 1 . . . . A 536 GLN N . 34200 1 58 . 1 1 6 6 GLN NE2 N 15 112.462 0.300 . 1 . . . . A 536 GLN NE2 . 34200 1 59 . 1 1 7 7 PHE H H 1 8.170 0.020 . 1 . . . . A 537 PHE H . 34200 1 60 . 1 1 7 7 PHE HA H 1 4.656 0.020 . 1 . . . . A 537 PHE HA . 34200 1 61 . 1 1 7 7 PHE HB2 H 1 2.998 0.020 . 1 . . . . A 537 PHE HB2 . 34200 1 62 . 1 1 7 7 PHE HB3 H 1 3.192 0.020 . 1 . . . . A 537 PHE HB3 . 34200 1 63 . 1 1 7 7 PHE HD1 H 1 7.264 0.020 . 3 . . . . A 537 PHE HD1 . 34200 1 64 . 1 1 7 7 PHE HD2 H 1 7.264 0.020 . 3 . . . . A 537 PHE HD2 . 34200 1 65 . 1 1 7 7 PHE C C 13 175.335 0.300 . 1 . . . . A 537 PHE C . 34200 1 66 . 1 1 7 7 PHE CA C 13 57.424 0.300 . 1 . . . . A 537 PHE CA . 34200 1 67 . 1 1 7 7 PHE CB C 13 39.809 0.300 . 1 . . . . A 537 PHE CB . 34200 1 68 . 1 1 7 7 PHE N N 15 120.787 0.300 . 1 . . . . A 537 PHE N . 34200 1 69 . 1 1 8 8 ALA H H 1 8.221 0.020 . 1 . . . . A 538 ALA H . 34200 1 70 . 1 1 8 8 ALA HA H 1 4.388 0.020 . 1 . . . . A 538 ALA HA . 34200 1 71 . 1 1 8 8 ALA HB1 H 1 1.389 0.020 . 1 . . . . A 538 ALA HB1 . 34200 1 72 . 1 1 8 8 ALA HB2 H 1 1.389 0.020 . 1 . . . . A 538 ALA HB2 . 34200 1 73 . 1 1 8 8 ALA HB3 H 1 1.389 0.020 . 1 . . . . A 538 ALA HB3 . 34200 1 74 . 1 1 8 8 ALA C C 13 177.543 0.300 . 1 . . . . A 538 ALA C . 34200 1 75 . 1 1 8 8 ALA CA C 13 52.420 0.300 . 1 . . . . A 538 ALA CA . 34200 1 76 . 1 1 8 8 ALA CB C 13 19.637 0.300 . 1 . . . . A 538 ALA CB . 34200 1 77 . 1 1 8 8 ALA N N 15 125.263 0.300 . 1 . . . . A 538 ALA N . 34200 1 78 . 1 1 9 9 THR H H 1 8.146 0.020 . 1 . . . . A 539 THR H . 34200 1 79 . 1 1 9 9 THR HA H 1 4.365 0.020 . 1 . . . . A 539 THR HA . 34200 1 80 . 1 1 9 9 THR HB H 1 4.216 0.020 . 1 . . . . A 539 THR HB . 34200 1 81 . 1 1 9 9 THR HG21 H 1 1.211 0.020 . 1 . . . . A 539 THR HG21 . 34200 1 82 . 1 1 9 9 THR HG22 H 1 1.211 0.020 . 1 . . . . A 539 THR HG22 . 34200 1 83 . 1 1 9 9 THR HG23 H 1 1.211 0.020 . 1 . . . . A 539 THR HG23 . 34200 1 84 . 1 1 9 9 THR C C 13 174.461 0.300 . 1 . . . . A 539 THR C . 34200 1 85 . 1 1 9 9 THR CA C 13 61.905 0.300 . 1 . . . . A 539 THR CA . 34200 1 86 . 1 1 9 9 THR CB C 13 69.598 0.300 . 1 . . . . A 539 THR CB . 34200 1 87 . 1 1 9 9 THR CG2 C 13 21.655 0.300 . 1 . . . . A 539 THR CG2 . 34200 1 88 . 1 1 9 9 THR N N 15 113.857 0.300 . 1 . . . . A 539 THR N . 34200 1 89 . 1 1 10 10 THR H H 1 8.126 0.020 . 1 . . . . A 540 THR H . 34200 1 90 . 1 1 10 10 THR HA H 1 4.364 0.020 . 1 . . . . A 540 THR HA . 34200 1 91 . 1 1 10 10 THR HB H 1 4.194 0.020 . 1 . . . . A 540 THR HB . 34200 1 92 . 1 1 10 10 THR HG21 H 1 1.175 0.020 . 1 . . . . A 540 THR HG21 . 34200 1 93 . 1 1 10 10 THR HG22 H 1 1.175 0.020 . 1 . . . . A 540 THR HG22 . 34200 1 94 . 1 1 10 10 THR HG23 H 1 1.175 0.020 . 1 . . . . A 540 THR HG23 . 34200 1 95 . 1 1 10 10 THR C C 13 173.895 0.300 . 1 . . . . A 540 THR C . 34200 1 96 . 1 1 10 10 THR CA C 13 61.912 0.300 . 1 . . . . A 540 THR CA . 34200 1 97 . 1 1 10 10 THR CB C 13 69.764 0.300 . 1 . . . . A 540 THR CB . 34200 1 98 . 1 1 10 10 THR CG2 C 13 21.600 0.300 . 1 . . . . A 540 THR CG2 . 34200 1 99 . 1 1 10 10 THR N N 15 116.727 0.300 . 1 . . . . A 540 THR N . 34200 1 100 . 1 1 11 11 VAL H H 1 8.005 0.020 . 1 . . . . A 541 VAL H . 34200 1 101 . 1 1 11 11 VAL HA H 1 4.069 0.020 . 1 . . . . A 541 VAL HA . 34200 1 102 . 1 1 11 11 VAL HB H 1 1.975 0.020 . 1 . . . . A 541 VAL HB . 34200 1 103 . 1 1 11 11 VAL HG11 H 1 .884 0.020 . 2 . . . . A 541 VAL HG11 . 34200 1 104 . 1 1 11 11 VAL HG12 H 1 .884 0.020 . 2 . . . . A 541 VAL HG12 . 34200 1 105 . 1 1 11 11 VAL HG13 H 1 .884 0.020 . 2 . . . . A 541 VAL HG13 . 34200 1 106 . 1 1 11 11 VAL HG21 H 1 .853 0.020 . 2 . . . . A 541 VAL HG21 . 34200 1 107 . 1 1 11 11 VAL HG22 H 1 .853 0.020 . 2 . . . . A 541 VAL HG22 . 34200 1 108 . 1 1 11 11 VAL HG23 H 1 .853 0.020 . 2 . . . . A 541 VAL HG23 . 34200 1 109 . 1 1 11 11 VAL C C 13 175.004 0.300 . 1 . . . . A 541 VAL C . 34200 1 110 . 1 1 11 11 VAL CA C 13 61.730 0.300 . 1 . . . . A 541 VAL CA . 34200 1 111 . 1 1 11 11 VAL CB C 13 33.189 0.300 . 1 . . . . A 541 VAL CB . 34200 1 112 . 1 1 11 11 VAL CG1 C 13 20.548 0.300 . 1 . . . . A 541 VAL CG1 . 34200 1 113 . 1 1 11 11 VAL CG2 C 13 21.022 0.300 . 1 . . . . A 541 VAL CG2 . 34200 1 114 . 1 1 11 11 VAL N N 15 123.186 0.300 . 1 . . . . A 541 VAL N . 34200 1 115 . 1 1 12 12 LEU H H 1 8.366 0.020 . 1 . . . . A 542 LEU H . 34200 1 116 . 1 1 12 12 LEU HA H 1 4.518 0.020 . 1 . . . . A 542 LEU HA . 34200 1 117 . 1 1 12 12 LEU HB2 H 1 1.409 0.020 . 1 . . . . A 542 LEU HB2 . 34200 1 118 . 1 1 12 12 LEU HB3 H 1 1.778 0.020 . 1 . . . . A 542 LEU HB3 . 34200 1 119 . 1 1 12 12 LEU HG H 1 1.737 0.020 . 1 . . . . A 542 LEU HG . 34200 1 120 . 1 1 12 12 LEU HD11 H 1 .784 0.020 . 2 . . . . A 542 LEU HD11 . 34200 1 121 . 1 1 12 12 LEU HD12 H 1 .784 0.020 . 2 . . . . A 542 LEU HD12 . 34200 1 122 . 1 1 12 12 LEU HD13 H 1 .784 0.020 . 2 . . . . A 542 LEU HD13 . 34200 1 123 . 1 1 12 12 LEU HD21 H 1 .927 0.020 . 2 . . . . A 542 LEU HD21 . 34200 1 124 . 1 1 12 12 LEU HD22 H 1 .927 0.020 . 2 . . . . A 542 LEU HD22 . 34200 1 125 . 1 1 12 12 LEU HD23 H 1 .927 0.020 . 2 . . . . A 542 LEU HD23 . 34200 1 126 . 1 1 12 12 LEU C C 13 174.546 0.300 . 1 . . . . A 542 LEU C . 34200 1 127 . 1 1 12 12 LEU CA C 13 52.401 0.300 . 1 . . . . A 542 LEU CA . 34200 1 128 . 1 1 12 12 LEU CB C 13 43.011 0.300 . 1 . . . . A 542 LEU CB . 34200 1 129 . 1 1 12 12 LEU CG C 13 26.325 0.300 . 1 . . . . A 542 LEU CG . 34200 1 130 . 1 1 12 12 LEU CD1 C 13 25.730 0.300 . 1 . . . . A 542 LEU CD1 . 34200 1 131 . 1 1 12 12 LEU CD2 C 13 25.246 0.300 . 1 . . . . A 542 LEU CD2 . 34200 1 132 . 1 1 12 12 LEU N N 15 128.351 0.300 . 1 . . . . A 542 LEU N . 34200 1 133 . 1 1 13 13 PRO HA H 1 4.667 0.020 . 1 . . . . A 543 PRO HA . 34200 1 134 . 1 1 13 13 PRO HB2 H 1 2.019 0.020 . 1 . . . . A 543 PRO HB2 . 34200 1 135 . 1 1 13 13 PRO HB3 H 1 2.578 0.020 . 1 . . . . A 543 PRO HB3 . 34200 1 136 . 1 1 13 13 PRO HG2 H 1 1.641 0.020 . 1 . . . . A 543 PRO HG2 . 34200 1 137 . 1 1 13 13 PRO HG3 H 1 1.893 0.020 . 1 . . . . A 543 PRO HG3 . 34200 1 138 . 1 1 13 13 PRO HD2 H 1 3.411 0.020 . 1 . . . . A 543 PRO HD2 . 34200 1 139 . 1 1 13 13 PRO HD3 H 1 4.210 0.020 . 1 . . . . A 543 PRO HD3 . 34200 1 140 . 1 1 13 13 PRO CA C 13 61.806 0.300 . 1 . . . . A 543 PRO CA . 34200 1 141 . 1 1 13 13 PRO CB C 13 30.837 0.300 . 1 . . . . A 543 PRO CB . 34200 1 142 . 1 1 13 13 PRO CG C 13 27.395 0.300 . 1 . . . . A 543 PRO CG . 34200 1 143 . 1 1 13 13 PRO CD C 13 51.319 0.300 . 1 . . . . A 543 PRO CD . 34200 1 144 . 1 1 14 14 PRO HA H 1 4.599 0.020 . 1 . . . . A 544 PRO HA . 34200 1 145 . 1 1 14 14 PRO HB2 H 1 2.021 0.020 . 1 . . . . A 544 PRO HB2 . 34200 1 146 . 1 1 14 14 PRO HB3 H 1 2.267 0.020 . 1 . . . . A 544 PRO HB3 . 34200 1 147 . 1 1 14 14 PRO HG2 H 1 1.797 0.020 . 1 . . . . A 544 PRO HG2 . 34200 1 148 . 1 1 14 14 PRO HG3 H 1 2.013 0.020 . 1 . . . . A 544 PRO HG3 . 34200 1 149 . 1 1 14 14 PRO HD2 H 1 3.681 0.020 . 2 . . . . A 544 PRO HD2 . 34200 1 150 . 1 1 14 14 PRO HD3 H 1 3.681 0.020 . 2 . . . . A 544 PRO HD3 . 34200 1 151 . 1 1 14 14 PRO C C 13 175.367 0.300 . 1 . . . . A 544 PRO C . 34200 1 152 . 1 1 14 14 PRO CA C 13 61.463 0.300 . 1 . . . . A 544 PRO CA . 34200 1 153 . 1 1 14 14 PRO CB C 13 32.854 0.300 . 1 . . . . A 544 PRO CB . 34200 1 154 . 1 1 14 14 PRO CG C 13 26.884 0.300 . 1 . . . . A 544 PRO CG . 34200 1 155 . 1 1 14 14 PRO CD C 13 49.921 0.300 . 1 . . . . A 544 PRO CD . 34200 1 156 . 1 1 15 15 ILE H H 1 7.868 0.020 . 1 . . . . A 545 ILE H . 34200 1 157 . 1 1 15 15 ILE HA H 1 3.726 0.020 . 1 . . . . A 545 ILE HA . 34200 1 158 . 1 1 15 15 ILE HB H 1 1.534 0.020 . 1 . . . . A 545 ILE HB . 34200 1 159 . 1 1 15 15 ILE HG12 H 1 .774 0.020 . 1 . . . . A 545 ILE HG12 . 34200 1 160 . 1 1 15 15 ILE HG13 H 1 1.590 0.020 . 1 . . . . A 545 ILE HG13 . 34200 1 161 . 1 1 15 15 ILE HG21 H 1 .880 0.020 . 1 . . . . A 545 ILE HG21 . 34200 1 162 . 1 1 15 15 ILE HG22 H 1 .880 0.020 . 1 . . . . A 545 ILE HG22 . 34200 1 163 . 1 1 15 15 ILE HG23 H 1 .880 0.020 . 1 . . . . A 545 ILE HG23 . 34200 1 164 . 1 1 15 15 ILE HD11 H 1 .920 0.020 . 1 . . . . A 545 ILE HD11 . 34200 1 165 . 1 1 15 15 ILE HD12 H 1 .920 0.020 . 1 . . . . A 545 ILE HD12 . 34200 1 166 . 1 1 15 15 ILE HD13 H 1 .920 0.020 . 1 . . . . A 545 ILE HD13 . 34200 1 167 . 1 1 15 15 ILE C C 13 174.919 0.300 . 1 . . . . A 545 ILE C . 34200 1 168 . 1 1 15 15 ILE CA C 13 60.269 0.300 . 1 . . . . A 545 ILE CA . 34200 1 169 . 1 1 15 15 ILE CB C 13 39.199 0.300 . 1 . . . . A 545 ILE CB . 34200 1 170 . 1 1 15 15 ILE CG1 C 13 29.491 0.300 . 1 . . . . A 545 ILE CG1 . 34200 1 171 . 1 1 15 15 ILE CG2 C 13 16.797 0.300 . 1 . . . . A 545 ILE CG2 . 34200 1 172 . 1 1 15 15 ILE CD1 C 13 14.186 0.300 . 1 . . . . A 545 ILE CD1 . 34200 1 173 . 1 1 15 15 ILE N N 15 119.258 0.300 . 1 . . . . A 545 ILE N . 34200 1 174 . 1 1 16 16 PRO HA H 1 4.554 0.020 . 1 . . . . A 546 PRO HA . 34200 1 175 . 1 1 16 16 PRO HB2 H 1 2.040 0.020 . 1 . . . . A 546 PRO HB2 . 34200 1 176 . 1 1 16 16 PRO HB3 H 1 2.190 0.020 . 1 . . . . A 546 PRO HB3 . 34200 1 177 . 1 1 16 16 PRO HG2 H 1 1.924 0.020 . 1 . . . . A 546 PRO HG2 . 34200 1 178 . 1 1 16 16 PRO HG3 H 1 2.237 0.020 . 1 . . . . A 546 PRO HG3 . 34200 1 179 . 1 1 16 16 PRO HD2 H 1 3.413 0.020 . 1 . . . . A 546 PRO HD2 . 34200 1 180 . 1 1 16 16 PRO HD3 H 1 3.633 0.020 . 1 . . . . A 546 PRO HD3 . 34200 1 181 . 1 1 16 16 PRO C C 13 176.165 0.300 . 1 . . . . A 546 PRO C . 34200 1 182 . 1 1 16 16 PRO CA C 13 62.214 0.300 . 1 . . . . A 546 PRO CA . 34200 1 183 . 1 1 16 16 PRO CB C 13 32.360 0.300 . 1 . . . . A 546 PRO CB . 34200 1 184 . 1 1 16 16 PRO CG C 13 27.598 0.300 . 1 . . . . A 546 PRO CG . 34200 1 185 . 1 1 16 16 PRO CD C 13 50.765 0.300 . 1 . . . . A 546 PRO CD . 34200 1 186 . 1 1 17 17 ALA H H 1 8.422 0.020 . 1 . . . . A 547 ALA H . 34200 1 187 . 1 1 17 17 ALA HA H 1 4.308 0.020 . 1 . . . . A 547 ALA HA . 34200 1 188 . 1 1 17 17 ALA HB1 H 1 1.461 0.020 . 1 . . . . A 547 ALA HB1 . 34200 1 189 . 1 1 17 17 ALA HB2 H 1 1.461 0.020 . 1 . . . . A 547 ALA HB2 . 34200 1 190 . 1 1 17 17 ALA HB3 H 1 1.461 0.020 . 1 . . . . A 547 ALA HB3 . 34200 1 191 . 1 1 17 17 ALA C C 13 177.681 0.300 . 1 . . . . A 547 ALA C . 34200 1 192 . 1 1 17 17 ALA CA C 13 52.380 0.300 . 1 . . . . A 547 ALA CA . 34200 1 193 . 1 1 17 17 ALA CB C 13 20.369 0.300 . 1 . . . . A 547 ALA CB . 34200 1 194 . 1 1 17 17 ALA N N 15 117.819 0.300 . 1 . . . . A 547 ALA N . 34200 1 195 . 1 1 18 18 ASN H H 1 7.372 0.020 . 1 . . . . A 548 ASN H . 34200 1 196 . 1 1 18 18 ASN HA H 1 4.952 0.020 . 1 . . . . A 548 ASN HA . 34200 1 197 . 1 1 18 18 ASN HB2 H 1 3.194 0.020 . 2 . . . . A 548 ASN HB2 . 34200 1 198 . 1 1 18 18 ASN HB3 H 1 3.194 0.020 . 2 . . . . A 548 ASN HB3 . 34200 1 199 . 1 1 18 18 ASN HD21 H 1 7.165 0.020 . 1 . . . . A 548 ASN HD21 . 34200 1 200 . 1 1 18 18 ASN HD22 H 1 7.767 0.020 . 1 . . . . A 548 ASN HD22 . 34200 1 201 . 1 1 18 18 ASN C C 13 175.474 0.300 . 1 . . . . A 548 ASN C . 34200 1 202 . 1 1 18 18 ASN CA C 13 51.912 0.300 . 1 . . . . A 548 ASN CA . 34200 1 203 . 1 1 18 18 ASN CB C 13 40.608 0.300 . 1 . . . . A 548 ASN CB . 34200 1 204 . 1 1 18 18 ASN N N 15 108.385 0.300 . 1 . . . . A 548 ASN N . 34200 1 205 . 1 1 18 18 ASN ND2 N 15 115.502 0.300 . 1 . . . . A 548 ASN ND2 . 34200 1 206 . 1 1 19 19 SER H H 1 8.677 0.020 . 1 . . . . A 549 SER H . 34200 1 207 . 1 1 19 19 SER HA H 1 3.905 0.020 . 1 . . . . A 549 SER HA . 34200 1 208 . 1 1 19 19 SER HB2 H 1 3.887 0.020 . 2 . . . . A 549 SER HB2 . 34200 1 209 . 1 1 19 19 SER HB3 H 1 3.887 0.020 . 2 . . . . A 549 SER HB3 . 34200 1 210 . 1 1 19 19 SER C C 13 175.228 0.300 . 1 . . . . A 549 SER C . 34200 1 211 . 1 1 19 19 SER CA C 13 61.823 0.300 . 1 . . . . A 549 SER CA . 34200 1 212 . 1 1 19 19 SER CB C 13 62.523 0.300 . 1 . . . . A 549 SER CB . 34200 1 213 . 1 1 19 19 SER N N 15 114.478 0.300 . 1 . . . . A 549 SER N . 34200 1 214 . 1 1 20 20 PHE H H 1 8.016 0.020 . 1 . . . . A 550 PHE H . 34200 1 215 . 1 1 20 20 PHE HA H 1 4.355 0.020 . 1 . . . . A 550 PHE HA . 34200 1 216 . 1 1 20 20 PHE HB2 H 1 3.194 0.020 . 2 . . . . A 550 PHE HB2 . 34200 1 217 . 1 1 20 20 PHE HB3 H 1 3.194 0.020 . 2 . . . . A 550 PHE HB3 . 34200 1 218 . 1 1 20 20 PHE HD1 H 1 7.298 0.020 . 3 . . . . A 550 PHE HD1 . 34200 1 219 . 1 1 20 20 PHE HD2 H 1 7.298 0.020 . 3 . . . . A 550 PHE HD2 . 34200 1 220 . 1 1 20 20 PHE C C 13 178.993 0.300 . 1 . . . . A 550 PHE C . 34200 1 221 . 1 1 20 20 PHE CA C 13 60.958 0.300 . 1 . . . . A 550 PHE CA . 34200 1 222 . 1 1 20 20 PHE CB C 13 38.249 0.300 . 1 . . . . A 550 PHE CB . 34200 1 223 . 1 1 20 20 PHE CD1 C 13 131.849 0.300 . 1 . . . . A 550 PHE CD1 . 34200 1 224 . 1 1 20 20 PHE N N 15 124.516 0.300 . 1 . . . . A 550 PHE N . 34200 1 225 . 1 1 21 21 GLN H H 1 8.446 0.020 . 1 . . . . A 551 GLN H . 34200 1 226 . 1 1 21 21 GLN HA H 1 3.947 0.020 . 1 . . . . A 551 GLN HA . 34200 1 227 . 1 1 21 21 GLN HB2 H 1 2.065 0.020 . 1 . . . . A 551 GLN HB2 . 34200 1 228 . 1 1 21 21 GLN HB3 H 1 2.259 0.020 . 1 . . . . A 551 GLN HB3 . 34200 1 229 . 1 1 21 21 GLN HG2 H 1 2.683 0.020 . 2 . . . . A 551 GLN HG2 . 34200 1 230 . 1 1 21 21 GLN HG3 H 1 2.683 0.020 . 2 . . . . A 551 GLN HG3 . 34200 1 231 . 1 1 21 21 GLN HE21 H 1 6.972 0.020 . 1 . . . . A 551 GLN HE21 . 34200 1 232 . 1 1 21 21 GLN HE22 H 1 7.994 0.020 . 1 . . . . A 551 GLN HE22 . 34200 1 233 . 1 1 21 21 GLN C C 13 176.967 0.300 . 1 . . . . A 551 GLN C . 34200 1 234 . 1 1 21 21 GLN CA C 13 58.327 0.300 . 1 . . . . A 551 GLN CA . 34200 1 235 . 1 1 21 21 GLN CB C 13 28.707 0.300 . 1 . . . . A 551 GLN CB . 34200 1 236 . 1 1 21 21 GLN CG C 13 33.433 0.300 . 1 . . . . A 551 GLN CG . 34200 1 237 . 1 1 21 21 GLN N N 15 121.195 0.300 . 1 . . . . A 551 GLN N . 34200 1 238 . 1 1 21 21 GLN NE2 N 15 115.169 0.300 . 1 . . . . A 551 GLN NE2 . 34200 1 239 . 1 1 22 22 LEU H H 1 7.457 0.020 . 1 . . . . A 552 LEU H . 34200 1 240 . 1 1 22 22 LEU HA H 1 4.501 0.020 . 1 . . . . A 552 LEU HA . 34200 1 241 . 1 1 22 22 LEU HB2 H 1 1.455 0.020 . 1 . . . . A 552 LEU HB2 . 34200 1 242 . 1 1 22 22 LEU HB3 H 1 1.698 0.020 . 1 . . . . A 552 LEU HB3 . 34200 1 243 . 1 1 22 22 LEU HG H 1 1.634 0.020 . 1 . . . . A 552 LEU HG . 34200 1 244 . 1 1 22 22 LEU HD11 H 1 .251 0.020 . 2 . . . . A 552 LEU HD11 . 34200 1 245 . 1 1 22 22 LEU HD12 H 1 .251 0.020 . 2 . . . . A 552 LEU HD12 . 34200 1 246 . 1 1 22 22 LEU HD13 H 1 .251 0.020 . 2 . . . . A 552 LEU HD13 . 34200 1 247 . 1 1 22 22 LEU HD21 H 1 .707 0.020 . 2 . . . . A 552 LEU HD21 . 34200 1 248 . 1 1 22 22 LEU HD22 H 1 .707 0.020 . 2 . . . . A 552 LEU HD22 . 34200 1 249 . 1 1 22 22 LEU HD23 H 1 .707 0.020 . 2 . . . . A 552 LEU HD23 . 34200 1 250 . 1 1 22 22 LEU C C 13 178.502 0.300 . 1 . . . . A 552 LEU C . 34200 1 251 . 1 1 22 22 LEU CA C 13 58.615 0.300 . 1 . . . . A 552 LEU CA . 34200 1 252 . 1 1 22 22 LEU CB C 13 42.202 0.300 . 1 . . . . A 552 LEU CB . 34200 1 253 . 1 1 22 22 LEU CG C 13 26.907 0.300 . 1 . . . . A 552 LEU CG . 34200 1 254 . 1 1 22 22 LEU CD1 C 13 25.952 0.300 . 1 . . . . A 552 LEU CD1 . 34200 1 255 . 1 1 22 22 LEU CD2 C 13 26.670 0.300 . 1 . . . . A 552 LEU CD2 . 34200 1 256 . 1 1 22 22 LEU N N 15 119.904 0.300 . 1 . . . . A 552 LEU N . 34200 1 257 . 1 1 23 23 GLU H H 1 8.435 0.020 . 1 . . . . A 553 GLU H . 34200 1 258 . 1 1 23 23 GLU HA H 1 3.646 0.020 . 1 . . . . A 553 GLU HA . 34200 1 259 . 1 1 23 23 GLU HB2 H 1 1.983 0.020 . 1 . . . . A 553 GLU HB2 . 34200 1 260 . 1 1 23 23 GLU HB3 H 1 2.157 0.020 . 1 . . . . A 553 GLU HB3 . 34200 1 261 . 1 1 23 23 GLU HG2 H 1 2.196 0.020 . 1 . . . . A 553 GLU HG2 . 34200 1 262 . 1 1 23 23 GLU HG3 H 1 2.517 0.020 . 1 . . . . A 553 GLU HG3 . 34200 1 263 . 1 1 23 23 GLU C C 13 179.441 0.300 . 1 . . . . A 553 GLU C . 34200 1 264 . 1 1 23 23 GLU CA C 13 60.024 0.300 . 1 . . . . A 553 GLU CA . 34200 1 265 . 1 1 23 23 GLU CB C 13 29.232 0.300 . 1 . . . . A 553 GLU CB . 34200 1 266 . 1 1 23 23 GLU CG C 13 37.054 0.300 . 1 . . . . A 553 GLU CG . 34200 1 267 . 1 1 23 23 GLU N N 15 118.108 0.300 . 1 . . . . A 553 GLU N . 34200 1 268 . 1 1 24 24 SER H H 1 7.800 0.020 . 1 . . . . A 554 SER H . 34200 1 269 . 1 1 24 24 SER HA H 1 4.097 0.020 . 1 . . . . A 554 SER HA . 34200 1 270 . 1 1 24 24 SER HB2 H 1 3.892 0.020 . 1 . . . . A 554 SER HB2 . 34200 1 271 . 1 1 24 24 SER HB3 H 1 3.952 0.020 . 1 . . . . A 554 SER HB3 . 34200 1 272 . 1 1 24 24 SER C C 13 177.073 0.300 . 1 . . . . A 554 SER C . 34200 1 273 . 1 1 24 24 SER CA C 13 61.698 0.300 . 1 . . . . A 554 SER CA . 34200 1 274 . 1 1 24 24 SER CB C 13 62.734 0.300 . 1 . . . . A 554 SER CB . 34200 1 275 . 1 1 24 24 SER N N 15 114.997 0.300 . 1 . . . . A 554 SER N . 34200 1 276 . 1 1 25 25 ASP H H 1 8.876 0.020 . 1 . . . . A 555 ASP H . 34200 1 277 . 1 1 25 25 ASP HA H 1 4.233 0.020 . 1 . . . . A 555 ASP HA . 34200 1 278 . 1 1 25 25 ASP HB2 H 1 1.694 0.020 . 1 . . . . A 555 ASP HB2 . 34200 1 279 . 1 1 25 25 ASP HB3 H 1 3.067 0.020 . 1 . . . . A 555 ASP HB3 . 34200 1 280 . 1 1 25 25 ASP C C 13 178.300 0.300 . 1 . . . . A 555 ASP C . 34200 1 281 . 1 1 25 25 ASP CA C 13 57.459 0.300 . 1 . . . . A 555 ASP CA . 34200 1 282 . 1 1 25 25 ASP CB C 13 38.229 0.300 . 1 . . . . A 555 ASP CB . 34200 1 283 . 1 1 25 25 ASP N N 15 124.829 0.300 . 1 . . . . A 555 ASP N . 34200 1 284 . 1 1 26 26 PHE H H 1 8.987 0.020 . 1 . . . . A 556 PHE H . 34200 1 285 . 1 1 26 26 PHE HA H 1 3.813 0.020 . 1 . . . . A 556 PHE HA . 34200 1 286 . 1 1 26 26 PHE HB2 H 1 3.004 0.020 . 1 . . . . A 556 PHE HB2 . 34200 1 287 . 1 1 26 26 PHE HB3 H 1 3.441 0.020 . 1 . . . . A 556 PHE HB3 . 34200 1 288 . 1 1 26 26 PHE HD1 H 1 7.323 0.020 . 3 . . . . A 556 PHE HD1 . 34200 1 289 . 1 1 26 26 PHE HD2 H 1 7.323 0.020 . 3 . . . . A 556 PHE HD2 . 34200 1 290 . 1 1 26 26 PHE HE1 H 1 6.822 0.020 . 3 . . . . A 556 PHE HE1 . 34200 1 291 . 1 1 26 26 PHE HE2 H 1 6.822 0.020 . 3 . . . . A 556 PHE HE2 . 34200 1 292 . 1 1 26 26 PHE HZ H 1 7.153 0.020 . 1 . . . . A 556 PHE HZ . 34200 1 293 . 1 1 26 26 PHE C C 13 178.780 0.300 . 1 . . . . A 556 PHE C . 34200 1 294 . 1 1 26 26 PHE CA C 13 61.393 0.300 . 1 . . . . A 556 PHE CA . 34200 1 295 . 1 1 26 26 PHE CB C 13 38.408 0.300 . 1 . . . . A 556 PHE CB . 34200 1 296 . 1 1 26 26 PHE CD1 C 13 130.828 0.300 . 1 . . . . A 556 PHE CD1 . 34200 1 297 . 1 1 26 26 PHE CE1 C 13 132.451 0.300 . 1 . . . . A 556 PHE CE1 . 34200 1 298 . 1 1 26 26 PHE CZ C 13 128.395 0.300 . 1 . . . . A 556 PHE CZ . 34200 1 299 . 1 1 26 26 PHE N N 15 120.574 0.300 . 1 . . . . A 556 PHE N . 34200 1 300 . 1 1 27 27 ARG H H 1 7.651 0.020 . 1 . . . . A 557 ARG H . 34200 1 301 . 1 1 27 27 ARG HA H 1 4.029 0.020 . 1 . . . . A 557 ARG HA . 34200 1 302 . 1 1 27 27 ARG HB2 H 1 1.952 0.020 . 1 . . . . A 557 ARG HB2 . 34200 1 303 . 1 1 27 27 ARG HB3 H 1 2.083 0.020 . 1 . . . . A 557 ARG HB3 . 34200 1 304 . 1 1 27 27 ARG HG2 H 1 1.647 0.020 . 1 . . . . A 557 ARG HG2 . 34200 1 305 . 1 1 27 27 ARG HG3 H 1 1.941 0.020 . 1 . . . . A 557 ARG HG3 . 34200 1 306 . 1 1 27 27 ARG HD2 H 1 3.217 0.020 . 1 . . . . A 557 ARG HD2 . 34200 1 307 . 1 1 27 27 ARG HD3 H 1 3.338 0.020 . 1 . . . . A 557 ARG HD3 . 34200 1 308 . 1 1 27 27 ARG HE H 1 7.405 0.020 . 1 . . . . A 557 ARG HE . 34200 1 309 . 1 1 27 27 ARG C C 13 179.174 0.300 . 1 . . . . A 557 ARG C . 34200 1 310 . 1 1 27 27 ARG CA C 13 60.033 0.300 . 1 . . . . A 557 ARG CA . 34200 1 311 . 1 1 27 27 ARG CB C 13 30.311 0.300 . 1 . . . . A 557 ARG CB . 34200 1 312 . 1 1 27 27 ARG CG C 13 28.559 0.300 . 1 . . . . A 557 ARG CG . 34200 1 313 . 1 1 27 27 ARG CD C 13 43.524 0.300 . 1 . . . . A 557 ARG CD . 34200 1 314 . 1 1 27 27 ARG N N 15 117.105 0.300 . 1 . . . . A 557 ARG N . 34200 1 315 . 1 1 27 27 ARG NE N 15 84.453 0.300 . 1 . . . . A 557 ARG NE . 34200 1 316 . 1 1 28 28 GLN H H 1 7.956 0.020 . 1 . . . . A 558 GLN H . 34200 1 317 . 1 1 28 28 GLN HA H 1 4.110 0.020 . 1 . . . . A 558 GLN HA . 34200 1 318 . 1 1 28 28 GLN HB2 H 1 2.158 0.020 . 1 . . . . A 558 GLN HB2 . 34200 1 319 . 1 1 28 28 GLN HB3 H 1 2.221 0.020 . 1 . . . . A 558 GLN HB3 . 34200 1 320 . 1 1 28 28 GLN HG2 H 1 2.356 0.020 . 1 . . . . A 558 GLN HG2 . 34200 1 321 . 1 1 28 28 GLN HG3 H 1 2.459 0.020 . 1 . . . . A 558 GLN HG3 . 34200 1 322 . 1 1 28 28 GLN HE21 H 1 7.415 0.020 . 1 . . . . A 558 GLN HE21 . 34200 1 323 . 1 1 28 28 GLN HE22 H 1 6.849 0.020 . 1 . . . . A 558 GLN HE22 . 34200 1 324 . 1 1 28 28 GLN C C 13 178.108 0.300 . 1 . . . . A 558 GLN C . 34200 1 325 . 1 1 28 28 GLN CA C 13 58.194 0.300 . 1 . . . . A 558 GLN CA . 34200 1 326 . 1 1 28 28 GLN CB C 13 28.927 0.300 . 1 . . . . A 558 GLN CB . 34200 1 327 . 1 1 28 28 GLN CG C 13 33.668 0.300 . 1 . . . . A 558 GLN CG . 34200 1 328 . 1 1 28 28 GLN N N 15 118.768 0.300 . 1 . . . . A 558 GLN N . 34200 1 329 . 1 1 28 28 GLN NE2 N 15 111.711 0.300 . 1 . . . . A 558 GLN NE2 . 34200 1 330 . 1 1 29 29 LEU H H 1 7.946 0.020 . 1 . . . . A 559 LEU H . 34200 1 331 . 1 1 29 29 LEU HA H 1 4.278 0.020 . 1 . . . . A 559 LEU HA . 34200 1 332 . 1 1 29 29 LEU HB2 H 1 1.304 0.020 . 1 . . . . A 559 LEU HB2 . 34200 1 333 . 1 1 29 29 LEU HB3 H 1 1.427 0.020 . 1 . . . . A 559 LEU HB3 . 34200 1 334 . 1 1 29 29 LEU HG H 1 1.594 0.020 . 1 . . . . A 559 LEU HG . 34200 1 335 . 1 1 29 29 LEU HD11 H 1 .219 0.020 . 2 . . . . A 559 LEU HD11 . 34200 1 336 . 1 1 29 29 LEU HD12 H 1 .219 0.020 . 2 . . . . A 559 LEU HD12 . 34200 1 337 . 1 1 29 29 LEU HD13 H 1 .219 0.020 . 2 . . . . A 559 LEU HD13 . 34200 1 338 . 1 1 29 29 LEU HD21 H 1 .674 0.020 . 2 . . . . A 559 LEU HD21 . 34200 1 339 . 1 1 29 29 LEU HD22 H 1 .674 0.020 . 2 . . . . A 559 LEU HD22 . 34200 1 340 . 1 1 29 29 LEU HD23 H 1 .674 0.020 . 2 . . . . A 559 LEU HD23 . 34200 1 341 . 1 1 29 29 LEU C C 13 177.404 0.300 . 1 . . . . A 559 LEU C . 34200 1 342 . 1 1 29 29 LEU CA C 13 54.948 0.300 . 1 . . . . A 559 LEU CA . 34200 1 343 . 1 1 29 29 LEU CB C 13 43.125 0.300 . 1 . . . . A 559 LEU CB . 34200 1 344 . 1 1 29 29 LEU CG C 13 26.373 0.300 . 1 . . . . A 559 LEU CG . 34200 1 345 . 1 1 29 29 LEU CD1 C 13 25.681 0.300 . 1 . . . . A 559 LEU CD1 . 34200 1 346 . 1 1 29 29 LEU CD2 C 13 22.615 0.300 . 1 . . . . A 559 LEU CD2 . 34200 1 347 . 1 1 29 29 LEU N N 15 116.797 0.300 . 1 . . . . A 559 LEU N . 34200 1 348 . 1 1 30 30 LYS H H 1 7.346 0.020 . 1 . . . . A 560 LYS H . 34200 1 349 . 1 1 30 30 LYS HA H 1 3.775 0.020 . 1 . . . . A 560 LYS HA . 34200 1 350 . 1 1 30 30 LYS HB2 H 1 1.883 0.020 . 1 . . . . A 560 LYS HB2 . 34200 1 351 . 1 1 30 30 LYS HB3 H 1 2.038 0.020 . 1 . . . . A 560 LYS HB3 . 34200 1 352 . 1 1 30 30 LYS HG2 H 1 1.397 0.020 . 1 . . . . A 560 LYS HG2 . 34200 1 353 . 1 1 30 30 LYS HG3 H 1 1.531 0.020 . 1 . . . . A 560 LYS HG3 . 34200 1 354 . 1 1 30 30 LYS HD2 H 1 1.712 0.020 . 2 . . . . A 560 LYS HD2 . 34200 1 355 . 1 1 30 30 LYS HD3 H 1 1.712 0.020 . 2 . . . . A 560 LYS HD3 . 34200 1 356 . 1 1 30 30 LYS HE2 H 1 3.006 0.020 . 2 . . . . A 560 LYS HE2 . 34200 1 357 . 1 1 30 30 LYS HE3 H 1 3.006 0.020 . 2 . . . . A 560 LYS HE3 . 34200 1 358 . 1 1 30 30 LYS C C 13 177.154 0.300 . 1 . . . . A 560 LYS C . 34200 1 359 . 1 1 30 30 LYS CA C 13 59.992 0.300 . 1 . . . . A 560 LYS CA . 34200 1 360 . 1 1 30 30 LYS CB C 13 32.482 0.300 . 1 . . . . A 560 LYS CB . 34200 1 361 . 1 1 30 30 LYS CG C 13 24.115 0.300 . 1 . . . . A 560 LYS CG . 34200 1 362 . 1 1 30 30 LYS CD C 13 29.712 0.300 . 1 . . . . A 560 LYS CD . 34200 1 363 . 1 1 30 30 LYS CE C 13 42.111 0.300 . 1 . . . . A 560 LYS CE . 34200 1 364 . 1 1 30 30 LYS N N 15 119.165 0.300 . 1 . . . . A 560 LYS N . 34200 1 365 . 1 1 31 31 SER H H 1 8.047 0.020 . 1 . . . . A 561 SER H . 34200 1 366 . 1 1 31 31 SER HA H 1 4.459 0.020 . 1 . . . . A 561 SER HA . 34200 1 367 . 1 1 31 31 SER HB2 H 1 3.970 0.020 . 1 . . . . A 561 SER HB2 . 34200 1 368 . 1 1 31 31 SER HB3 H 1 4.060 0.020 . 1 . . . . A 561 SER HB3 . 34200 1 369 . 1 1 31 31 SER C C 13 173.946 0.300 . 1 . . . . A 561 SER C . 34200 1 370 . 1 1 31 31 SER CA C 13 58.844 0.300 . 1 . . . . A 561 SER CA . 34200 1 371 . 1 1 31 31 SER CB C 13 63.023 0.300 . 1 . . . . A 561 SER CB . 34200 1 372 . 1 1 31 31 SER N N 15 111.072 0.300 . 1 . . . . A 561 SER N . 34200 1 373 . 1 1 32 32 SER H H 1 8.276 0.020 . 1 . . . . A 562 SER H . 34200 1 374 . 1 1 32 32 SER HA H 1 5.063 0.020 . 1 . . . . A 562 SER HA . 34200 1 375 . 1 1 32 32 SER HB2 H 1 3.762 0.020 . 1 . . . . A 562 SER HB2 . 34200 1 376 . 1 1 32 32 SER HB3 H 1 3.910 0.020 . 1 . . . . A 562 SER HB3 . 34200 1 377 . 1 1 32 32 SER C C 13 171.926 0.300 . 1 . . . . A 562 SER C . 34200 1 378 . 1 1 32 32 SER CA C 13 54.373 0.300 . 1 . . . . A 562 SER CA . 34200 1 379 . 1 1 32 32 SER CB C 13 63.817 0.300 . 1 . . . . A 562 SER CB . 34200 1 380 . 1 1 32 32 SER N N 15 117.461 0.300 . 1 . . . . A 562 SER N . 34200 1 381 . 1 1 33 33 PRO HA H 1 4.150 0.020 . 1 . . . . A 563 PRO HA . 34200 1 382 . 1 1 33 33 PRO HB2 H 1 2.310 0.020 . 1 . . . . A 563 PRO HB2 . 34200 1 383 . 1 1 33 33 PRO HB3 H 1 2.676 0.020 . 1 . . . . A 563 PRO HB3 . 34200 1 384 . 1 1 33 33 PRO HG2 H 1 2.124 0.020 . 1 . . . . A 563 PRO HG2 . 34200 1 385 . 1 1 33 33 PRO HG3 H 1 2.315 0.020 . 1 . . . . A 563 PRO HG3 . 34200 1 386 . 1 1 33 33 PRO HD2 H 1 3.611 0.020 . 1 . . . . A 563 PRO HD2 . 34200 1 387 . 1 1 33 33 PRO HD3 H 1 3.912 0.020 . 1 . . . . A 563 PRO HD3 . 34200 1 388 . 1 1 33 33 PRO C C 13 176.295 0.300 . 1 . . . . A 563 PRO C . 34200 1 389 . 1 1 33 33 PRO CA C 13 65.900 0.300 . 1 . . . . A 563 PRO CA . 34200 1 390 . 1 1 33 33 PRO CB C 13 32.126 0.300 . 1 . . . . A 563 PRO CB . 34200 1 391 . 1 1 33 33 PRO CG C 13 27.753 0.300 . 1 . . . . A 563 PRO CG . 34200 1 392 . 1 1 33 33 PRO CD C 13 50.280 0.300 . 1 . . . . A 563 PRO CD . 34200 1 393 . 1 1 34 34 ASP H H 1 8.521 0.020 . 1 . . . . A 564 ASP H . 34200 1 394 . 1 1 34 34 ASP HA H 1 4.080 0.020 . 1 . . . . A 564 ASP HA . 34200 1 395 . 1 1 34 34 ASP HB2 H 1 2.648 0.020 . 1 . . . . A 564 ASP HB2 . 34200 1 396 . 1 1 34 34 ASP HB3 H 1 2.739 0.020 . 1 . . . . A 564 ASP HB3 . 34200 1 397 . 1 1 34 34 ASP C C 13 179.003 0.300 . 1 . . . . A 564 ASP C . 34200 1 398 . 1 1 34 34 ASP CA C 13 57.405 0.300 . 1 . . . . A 564 ASP CA . 34200 1 399 . 1 1 34 34 ASP CB C 13 40.504 0.300 . 1 . . . . A 564 ASP CB . 34200 1 400 . 1 1 34 34 ASP N N 15 113.711 0.300 . 1 . . . . A 564 ASP N . 34200 1 401 . 1 1 35 35 MET H H 1 7.632 0.020 . 1 . . . . A 565 MET H . 34200 1 402 . 1 1 35 35 MET HA H 1 4.280 0.020 . 1 . . . . A 565 MET HA . 34200 1 403 . 1 1 35 35 MET HB2 H 1 2.471 0.020 . 1 . . . . A 565 MET HB2 . 34200 1 404 . 1 1 35 35 MET HB3 H 1 2.695 0.020 . 1 . . . . A 565 MET HB3 . 34200 1 405 . 1 1 35 35 MET HG2 H 1 1.934 0.020 . 1 . . . . A 565 MET HG2 . 34200 1 406 . 1 1 35 35 MET HG3 H 1 2.226 0.020 . 1 . . . . A 565 MET HG3 . 34200 1 407 . 1 1 35 35 MET HE1 H 1 1.945 0.020 . 1 . . . . A 565 MET HE1 . 34200 1 408 . 1 1 35 35 MET HE2 H 1 1.945 0.020 . 1 . . . . A 565 MET HE2 . 34200 1 409 . 1 1 35 35 MET HE3 H 1 1.945 0.020 . 1 . . . . A 565 MET HE3 . 34200 1 410 . 1 1 35 35 MET C C 13 179.216 0.300 . 1 . . . . A 565 MET C . 34200 1 411 . 1 1 35 35 MET CA C 13 57.443 0.300 . 1 . . . . A 565 MET CA . 34200 1 412 . 1 1 35 35 MET CB C 13 32.745 0.300 . 1 . . . . A 565 MET CB . 34200 1 413 . 1 1 35 35 MET CG C 13 32.436 0.300 . 1 . . . . A 565 MET CG . 34200 1 414 . 1 1 35 35 MET CE C 13 16.936 0.300 . 1 . . . . A 565 MET CE . 34200 1 415 . 1 1 35 35 MET N N 15 118.604 0.300 . 1 . . . . A 565 MET N . 34200 1 416 . 1 1 36 36 LEU H H 1 8.030 0.020 . 1 . . . . A 566 LEU H . 34200 1 417 . 1 1 36 36 LEU HA H 1 3.885 0.020 . 1 . . . . A 566 LEU HA . 34200 1 418 . 1 1 36 36 LEU HB2 H 1 1.432 0.020 . 1 . . . . A 566 LEU HB2 . 34200 1 419 . 1 1 36 36 LEU HB3 H 1 1.642 0.020 . 1 . . . . A 566 LEU HB3 . 34200 1 420 . 1 1 36 36 LEU HG H 1 1.311 0.020 . 1 . . . . A 566 LEU HG . 34200 1 421 . 1 1 36 36 LEU HD11 H 1 .246 0.020 . 2 . . . . A 566 LEU HD11 . 34200 1 422 . 1 1 36 36 LEU HD12 H 1 .246 0.020 . 2 . . . . A 566 LEU HD12 . 34200 1 423 . 1 1 36 36 LEU HD13 H 1 .246 0.020 . 2 . . . . A 566 LEU HD13 . 34200 1 424 . 1 1 36 36 LEU HD21 H 1 .448 0.020 . 2 . . . . A 566 LEU HD21 . 34200 1 425 . 1 1 36 36 LEU HD22 H 1 .448 0.020 . 2 . . . . A 566 LEU HD22 . 34200 1 426 . 1 1 36 36 LEU HD23 H 1 .448 0.020 . 2 . . . . A 566 LEU HD23 . 34200 1 427 . 1 1 36 36 LEU C C 13 178.332 0.300 . 1 . . . . A 566 LEU C . 34200 1 428 . 1 1 36 36 LEU CA C 13 58.136 0.300 . 1 . . . . A 566 LEU CA . 34200 1 429 . 1 1 36 36 LEU CB C 13 40.700 0.300 . 1 . . . . A 566 LEU CB . 34200 1 430 . 1 1 36 36 LEU CG C 13 26.827 0.300 . 1 . . . . A 566 LEU CG . 34200 1 431 . 1 1 36 36 LEU CD1 C 13 23.736 0.300 . 1 . . . . A 566 LEU CD1 . 34200 1 432 . 1 1 36 36 LEU CD2 C 13 25.444 0.300 . 1 . . . . A 566 LEU CD2 . 34200 1 433 . 1 1 36 36 LEU N N 15 122.056 0.300 . 1 . . . . A 566 LEU N . 34200 1 434 . 1 1 37 37 TYR H H 1 8.079 0.020 . 1 . . . . A 567 TYR H . 34200 1 435 . 1 1 37 37 TYR HA H 1 4.252 0.020 . 1 . . . . A 567 TYR HA . 34200 1 436 . 1 1 37 37 TYR HB2 H 1 2.059 0.020 . 1 . . . . A 567 TYR HB2 . 34200 1 437 . 1 1 37 37 TYR HB3 H 1 2.466 0.020 . 1 . . . . A 567 TYR HB3 . 34200 1 438 . 1 1 37 37 TYR HD1 H 1 6.942 0.020 . 3 . . . . A 567 TYR HD1 . 34200 1 439 . 1 1 37 37 TYR HD2 H 1 6.942 0.020 . 3 . . . . A 567 TYR HD2 . 34200 1 440 . 1 1 37 37 TYR HE1 H 1 6.311 0.020 . 3 . . . . A 567 TYR HE1 . 34200 1 441 . 1 1 37 37 TYR HE2 H 1 6.311 0.020 . 3 . . . . A 567 TYR HE2 . 34200 1 442 . 1 1 37 37 TYR C C 13 175.602 0.300 . 1 . . . . A 567 TYR C . 34200 1 443 . 1 1 37 37 TYR CA C 13 59.628 0.300 . 1 . . . . A 567 TYR CA . 34200 1 444 . 1 1 37 37 TYR CB C 13 36.515 0.300 . 1 . . . . A 567 TYR CB . 34200 1 445 . 1 1 37 37 TYR CD1 C 13 134.133 0.300 . 1 . . . . A 567 TYR CD1 . 34200 1 446 . 1 1 37 37 TYR CE1 C 13 116.986 0.300 . 1 . . . . A 567 TYR CE1 . 34200 1 447 . 1 1 37 37 TYR N N 15 118.772 0.300 . 1 . . . . A 567 TYR N . 34200 1 448 . 1 1 38 38 GLN H H 1 7.100 0.020 . 1 . . . . A 568 GLN H . 34200 1 449 . 1 1 38 38 GLN HA H 1 3.204 0.020 . 1 . . . . A 568 GLN HA . 34200 1 450 . 1 1 38 38 GLN HB2 H 1 1.955 0.020 . 1 . . . . A 568 GLN HB2 . 34200 1 451 . 1 1 38 38 GLN HB3 H 1 2.003 0.020 . 1 . . . . A 568 GLN HB3 . 34200 1 452 . 1 1 38 38 GLN HG2 H 1 2.236 0.020 . 1 . . . . A 568 GLN HG2 . 34200 1 453 . 1 1 38 38 GLN HG3 H 1 2.496 0.020 . 1 . . . . A 568 GLN HG3 . 34200 1 454 . 1 1 38 38 GLN HE21 H 1 7.196 0.020 . 1 . . . . A 568 GLN HE21 . 34200 1 455 . 1 1 38 38 GLN HE22 H 1 6.775 0.020 . 1 . . . . A 568 GLN HE22 . 34200 1 456 . 1 1 38 38 GLN C C 13 178.172 0.300 . 1 . . . . A 568 GLN C . 34200 1 457 . 1 1 38 38 GLN CA C 13 58.807 0.300 . 1 . . . . A 568 GLN CA . 34200 1 458 . 1 1 38 38 GLN CB C 13 28.812 0.300 . 1 . . . . A 568 GLN CB . 34200 1 459 . 1 1 38 38 GLN CG C 13 33.747 0.300 . 1 . . . . A 568 GLN CG . 34200 1 460 . 1 1 38 38 GLN N N 15 116.486 0.300 . 1 . . . . A 568 GLN N . 34200 1 461 . 1 1 38 38 GLN NE2 N 15 112.039 0.300 . 1 . . . . A 568 GLN NE2 . 34200 1 462 . 1 1 39 39 TYR H H 1 8.623 0.020 . 1 . . . . A 569 TYR H . 34200 1 463 . 1 1 39 39 TYR HA H 1 3.955 0.020 . 1 . . . . A 569 TYR HA . 34200 1 464 . 1 1 39 39 TYR HB2 H 1 2.841 0.020 . 1 . . . . A 569 TYR HB2 . 34200 1 465 . 1 1 39 39 TYR HB3 H 1 3.185 0.020 . 1 . . . . A 569 TYR HB3 . 34200 1 466 . 1 1 39 39 TYR HD1 H 1 6.820 0.020 . 3 . . . . A 569 TYR HD1 . 34200 1 467 . 1 1 39 39 TYR HD2 H 1 6.820 0.020 . 3 . . . . A 569 TYR HD2 . 34200 1 468 . 1 1 39 39 TYR HE1 H 1 6.833 0.020 . 3 . . . . A 569 TYR HE1 . 34200 1 469 . 1 1 39 39 TYR HE2 H 1 6.833 0.020 . 3 . . . . A 569 TYR HE2 . 34200 1 470 . 1 1 39 39 TYR HH H 1 11.426 0.020 . 1 . . . . A 569 TYR HH . 34200 1 471 . 1 1 39 39 TYR C C 13 177.639 0.300 . 1 . . . . A 569 TYR C . 34200 1 472 . 1 1 39 39 TYR CA C 13 61.182 0.300 . 1 . . . . A 569 TYR CA . 34200 1 473 . 1 1 39 39 TYR CB C 13 39.298 0.300 . 1 . . . . A 569 TYR CB . 34200 1 474 . 1 1 39 39 TYR CD1 C 13 132.286 0.300 . 1 . . . . A 569 TYR CD1 . 34200 1 475 . 1 1 39 39 TYR CE1 C 13 120.591 0.300 . 1 . . . . A 569 TYR CE1 . 34200 1 476 . 1 1 39 39 TYR N N 15 120.192 0.300 . 1 . . . . A 569 TYR N . 34200 1 477 . 1 1 40 40 LEU H H 1 8.854 0.020 . 1 . . . . A 570 LEU H . 34200 1 478 . 1 1 40 40 LEU HA H 1 3.995 0.020 . 1 . . . . A 570 LEU HA . 34200 1 479 . 1 1 40 40 LEU HB2 H 1 1.735 0.020 . 1 . . . . A 570 LEU HB2 . 34200 1 480 . 1 1 40 40 LEU HB3 H 1 2.200 0.020 . 1 . . . . A 570 LEU HB3 . 34200 1 481 . 1 1 40 40 LEU HG H 1 1.919 0.020 . 1 . . . . A 570 LEU HG . 34200 1 482 . 1 1 40 40 LEU HD11 H 1 1.081 0.020 . 2 . . . . A 570 LEU HD11 . 34200 1 483 . 1 1 40 40 LEU HD12 H 1 1.081 0.020 . 2 . . . . A 570 LEU HD12 . 34200 1 484 . 1 1 40 40 LEU HD13 H 1 1.081 0.020 . 2 . . . . A 570 LEU HD13 . 34200 1 485 . 1 1 40 40 LEU HD21 H 1 1.207 0.020 . 2 . . . . A 570 LEU HD21 . 34200 1 486 . 1 1 40 40 LEU HD22 H 1 1.207 0.020 . 2 . . . . A 570 LEU HD22 . 34200 1 487 . 1 1 40 40 LEU HD23 H 1 1.207 0.020 . 2 . . . . A 570 LEU HD23 . 34200 1 488 . 1 1 40 40 LEU C C 13 180.646 0.300 . 1 . . . . A 570 LEU C . 34200 1 489 . 1 1 40 40 LEU CA C 13 57.853 0.300 . 1 . . . . A 570 LEU CA . 34200 1 490 . 1 1 40 40 LEU CB C 13 42.483 0.300 . 1 . . . . A 570 LEU CB . 34200 1 491 . 1 1 40 40 LEU CG C 13 27.433 0.300 . 1 . . . . A 570 LEU CG . 34200 1 492 . 1 1 40 40 LEU CD1 C 13 26.102 0.300 . 1 . . . . A 570 LEU CD1 . 34200 1 493 . 1 1 40 40 LEU CD2 C 13 23.814 0.300 . 1 . . . . A 570 LEU CD2 . 34200 1 494 . 1 1 40 40 LEU N N 15 122.054 0.300 . 1 . . . . A 570 LEU N . 34200 1 495 . 1 1 41 41 LYS H H 1 8.313 0.020 . 1 . . . . A 571 LYS H . 34200 1 496 . 1 1 41 41 LYS HA H 1 4.150 0.020 . 1 . . . . A 571 LYS HA . 34200 1 497 . 1 1 41 41 LYS HB2 H 1 1.468 0.020 . 1 . . . . A 571 LYS HB2 . 34200 1 498 . 1 1 41 41 LYS HB3 H 1 1.572 0.020 . 1 . . . . A 571 LYS HB3 . 34200 1 499 . 1 1 41 41 LYS HG2 H 1 .952 0.020 . 1 . . . . A 571 LYS HG2 . 34200 1 500 . 1 1 41 41 LYS HG3 H 1 1.235 0.020 . 1 . . . . A 571 LYS HG3 . 34200 1 501 . 1 1 41 41 LYS HD2 H 1 1.033 0.020 . 1 . . . . A 571 LYS HD2 . 34200 1 502 . 1 1 41 41 LYS HD3 H 1 1.325 0.020 . 1 . . . . A 571 LYS HD3 . 34200 1 503 . 1 1 41 41 LYS HE2 H 1 2.786 0.020 . 2 . . . . A 571 LYS HE2 . 34200 1 504 . 1 1 41 41 LYS HE3 H 1 2.786 0.020 . 2 . . . . A 571 LYS HE3 . 34200 1 505 . 1 1 41 41 LYS C C 13 178.087 0.300 . 1 . . . . A 571 LYS C . 34200 1 506 . 1 1 41 41 LYS CA C 13 57.367 0.300 . 1 . . . . A 571 LYS CA . 34200 1 507 . 1 1 41 41 LYS CB C 13 31.122 0.300 . 1 . . . . A 571 LYS CB . 34200 1 508 . 1 1 41 41 LYS CG C 13 23.455 0.300 . 1 . . . . A 571 LYS CG . 34200 1 509 . 1 1 41 41 LYS CD C 13 27.194 0.300 . 1 . . . . A 571 LYS CD . 34200 1 510 . 1 1 41 41 LYS CE C 13 41.076 0.300 . 1 . . . . A 571 LYS CE . 34200 1 511 . 1 1 41 41 LYS N N 15 119.256 0.300 . 1 . . . . A 571 LYS N . 34200 1 512 . 1 1 42 42 GLN H H 1 7.179 0.020 . 1 . . . . A 572 GLN H . 34200 1 513 . 1 1 42 42 GLN HA H 1 4.133 0.020 . 1 . . . . A 572 GLN HA . 34200 1 514 . 1 1 42 42 GLN HB2 H 1 1.993 0.020 . 2 . . . . A 572 GLN HB2 . 34200 1 515 . 1 1 42 42 GLN HB3 H 1 1.993 0.020 . 2 . . . . A 572 GLN HB3 . 34200 1 516 . 1 1 42 42 GLN HG2 H 1 2.428 0.020 . 1 . . . . A 572 GLN HG2 . 34200 1 517 . 1 1 42 42 GLN HG3 H 1 2.566 0.020 . 1 . . . . A 572 GLN HG3 . 34200 1 518 . 1 1 42 42 GLN HE21 H 1 6.802 0.020 . 1 . . . . A 572 GLN HE21 . 34200 1 519 . 1 1 42 42 GLN HE22 H 1 7.546 0.020 . 1 . . . . A 572 GLN HE22 . 34200 1 520 . 1 1 42 42 GLN C C 13 175.559 0.300 . 1 . . . . A 572 GLN C . 34200 1 521 . 1 1 42 42 GLN CA C 13 56.617 0.300 . 1 . . . . A 572 GLN CA . 34200 1 522 . 1 1 42 42 GLN CB C 13 29.506 0.300 . 1 . . . . A 572 GLN CB . 34200 1 523 . 1 1 42 42 GLN CG C 13 34.162 0.300 . 1 . . . . A 572 GLN CG . 34200 1 524 . 1 1 42 42 GLN N N 15 114.504 0.300 . 1 . . . . A 572 GLN N . 34200 1 525 . 1 1 42 42 GLN NE2 N 15 109.751 0.300 . 1 . . . . A 572 GLN NE2 . 34200 1 526 . 1 1 43 43 ILE H H 1 7.571 0.020 . 1 . . . . A 573 ILE H . 34200 1 527 . 1 1 43 43 ILE HA H 1 3.842 0.020 . 1 . . . . A 573 ILE HA . 34200 1 528 . 1 1 43 43 ILE HB H 1 2.126 0.020 . 1 . . . . A 573 ILE HB . 34200 1 529 . 1 1 43 43 ILE HG12 H 1 .498 0.020 . 1 . . . . A 573 ILE HG12 . 34200 1 530 . 1 1 43 43 ILE HG13 H 1 1.759 0.020 . 1 . . . . A 573 ILE HG13 . 34200 1 531 . 1 1 43 43 ILE HG21 H 1 .792 0.020 . 1 . . . . A 573 ILE HG21 . 34200 1 532 . 1 1 43 43 ILE HG22 H 1 .792 0.020 . 1 . . . . A 573 ILE HG22 . 34200 1 533 . 1 1 43 43 ILE HG23 H 1 .792 0.020 . 1 . . . . A 573 ILE HG23 . 34200 1 534 . 1 1 43 43 ILE HD11 H 1 .588 0.020 . 1 . . . . A 573 ILE HD11 . 34200 1 535 . 1 1 43 43 ILE HD12 H 1 .588 0.020 . 1 . . . . A 573 ILE HD12 . 34200 1 536 . 1 1 43 43 ILE HD13 H 1 .588 0.020 . 1 . . . . A 573 ILE HD13 . 34200 1 537 . 1 1 43 43 ILE C C 13 174.770 0.300 . 1 . . . . A 573 ILE C . 34200 1 538 . 1 1 43 43 ILE CA C 13 60.878 0.300 . 1 . . . . A 573 ILE CA . 34200 1 539 . 1 1 43 43 ILE CB C 13 38.281 0.300 . 1 . . . . A 573 ILE CB . 34200 1 540 . 1 1 43 43 ILE CG1 C 13 27.954 0.300 . 1 . . . . A 573 ILE CG1 . 34200 1 541 . 1 1 43 43 ILE CG2 C 13 18.491 0.300 . 1 . . . . A 573 ILE CG2 . 34200 1 542 . 1 1 43 43 ILE CD1 C 13 13.718 0.300 . 1 . . . . A 573 ILE CD1 . 34200 1 543 . 1 1 43 43 ILE N N 15 119.096 0.300 . 1 . . . . A 573 ILE N . 34200 1 544 . 1 1 44 44 GLU H H 1 8.619 0.020 . 1 . . . . A 574 GLU H . 34200 1 545 . 1 1 44 44 GLU HA H 1 4.487 0.020 . 1 . . . . A 574 GLU HA . 34200 1 546 . 1 1 44 44 GLU HB2 H 1 2.021 0.020 . 1 . . . . A 574 GLU HB2 . 34200 1 547 . 1 1 44 44 GLU HB3 H 1 2.123 0.020 . 1 . . . . A 574 GLU HB3 . 34200 1 548 . 1 1 44 44 GLU HG2 H 1 2.415 0.020 . 2 . . . . A 574 GLU HG2 . 34200 1 549 . 1 1 44 44 GLU HG3 H 1 2.415 0.020 . 2 . . . . A 574 GLU HG3 . 34200 1 550 . 1 1 44 44 GLU C C 13 176.360 0.300 . 1 . . . . A 574 GLU C . 34200 1 551 . 1 1 44 44 GLU CA C 13 55.484 0.300 . 1 . . . . A 574 GLU CA . 34200 1 552 . 1 1 44 44 GLU CB C 13 29.183 0.300 . 1 . . . . A 574 GLU CB . 34200 1 553 . 1 1 44 44 GLU CG C 13 36.395 0.300 . 1 . . . . A 574 GLU CG . 34200 1 554 . 1 1 44 44 GLU N N 15 110.765 0.300 . 1 . . . . A 574 GLU N . 34200 1 555 . 1 1 45 45 PRO HA H 1 3.815 0.020 . 1 . . . . A 575 PRO HA . 34200 1 556 . 1 1 45 45 PRO HB2 H 1 1.625 0.020 . 1 . . . . A 575 PRO HB2 . 34200 1 557 . 1 1 45 45 PRO HB3 H 1 1.880 0.020 . 1 . . . . A 575 PRO HB3 . 34200 1 558 . 1 1 45 45 PRO HG2 H 1 1.760 0.020 . 1 . . . . A 575 PRO HG2 . 34200 1 559 . 1 1 45 45 PRO HG3 H 1 2.118 0.020 . 1 . . . . A 575 PRO HG3 . 34200 1 560 . 1 1 45 45 PRO HD2 H 1 3.825 0.020 . 1 . . . . A 575 PRO HD2 . 34200 1 561 . 1 1 45 45 PRO HD3 H 1 4.012 0.020 . 1 . . . . A 575 PRO HD3 . 34200 1 562 . 1 1 45 45 PRO C C 13 177.723 0.300 . 1 . . . . A 575 PRO C . 34200 1 563 . 1 1 45 45 PRO CA C 13 64.942 0.300 . 1 . . . . A 575 PRO CA . 34200 1 564 . 1 1 45 45 PRO CB C 13 31.194 0.300 . 1 . . . . A 575 PRO CB . 34200 1 565 . 1 1 45 45 PRO CG C 13 28.109 0.300 . 1 . . . . A 575 PRO CG . 34200 1 566 . 1 1 45 45 PRO CD C 13 50.465 0.300 . 1 . . . . A 575 PRO CD . 34200 1 567 . 1 1 46 46 SER H H 1 8.188 0.020 . 1 . . . . A 576 SER H . 34200 1 568 . 1 1 46 46 SER HA H 1 4.012 0.020 . 1 . . . . A 576 SER HA . 34200 1 569 . 1 1 46 46 SER HB2 H 1 3.949 0.020 . 2 . . . . A 576 SER HB2 . 34200 1 570 . 1 1 46 46 SER HB3 H 1 3.949 0.020 . 2 . . . . A 576 SER HB3 . 34200 1 571 . 1 1 46 46 SER C C 13 175.900 0.300 . 1 . . . . A 576 SER C . 34200 1 572 . 1 1 46 46 SER CA C 13 60.562 0.300 . 1 . . . . A 576 SER CA . 34200 1 573 . 1 1 46 46 SER CB C 13 62.338 0.300 . 1 . . . . A 576 SER CB . 34200 1 574 . 1 1 46 46 SER N N 15 109.905 0.300 . 1 . . . . A 576 SER N . 34200 1 575 . 1 1 47 47 LEU H H 1 8.425 0.020 . 1 . . . . A 577 LEU H . 34200 1 576 . 1 1 47 47 LEU HA H 1 4.390 0.020 . 1 . . . . A 577 LEU HA . 34200 1 577 . 1 1 47 47 LEU HB2 H 1 1.587 0.020 . 1 . . . . A 577 LEU HB2 . 34200 1 578 . 1 1 47 47 LEU HB3 H 1 1.954 0.020 . 1 . . . . A 577 LEU HB3 . 34200 1 579 . 1 1 47 47 LEU HG H 1 1.773 0.020 . 1 . . . . A 577 LEU HG . 34200 1 580 . 1 1 47 47 LEU HD11 H 1 .896 0.020 . 2 . . . . A 577 LEU HD11 . 34200 1 581 . 1 1 47 47 LEU HD12 H 1 .896 0.020 . 2 . . . . A 577 LEU HD12 . 34200 1 582 . 1 1 47 47 LEU HD13 H 1 .896 0.020 . 2 . . . . A 577 LEU HD13 . 34200 1 583 . 1 1 47 47 LEU HD21 H 1 1.038 0.020 . 2 . . . . A 577 LEU HD21 . 34200 1 584 . 1 1 47 47 LEU HD22 H 1 1.038 0.020 . 2 . . . . A 577 LEU HD22 . 34200 1 585 . 1 1 47 47 LEU HD23 H 1 1.038 0.020 . 2 . . . . A 577 LEU HD23 . 34200 1 586 . 1 1 47 47 LEU C C 13 178.897 0.300 . 1 . . . . A 577 LEU C . 34200 1 587 . 1 1 47 47 LEU CA C 13 55.585 0.300 . 1 . . . . A 577 LEU CA . 34200 1 588 . 1 1 47 47 LEU CB C 13 42.466 0.300 . 1 . . . . A 577 LEU CB . 34200 1 589 . 1 1 47 47 LEU CG C 13 27.477 0.300 . 1 . . . . A 577 LEU CG . 34200 1 590 . 1 1 47 47 LEU CD1 C 13 23.280 0.300 . 1 . . . . A 577 LEU CD1 . 34200 1 591 . 1 1 47 47 LEU CD2 C 13 25.230 0.300 . 1 . . . . A 577 LEU CD2 . 34200 1 592 . 1 1 47 47 LEU N N 15 121.227 0.300 . 1 . . . . A 577 LEU N . 34200 1 593 . 1 1 48 48 TYR H H 1 8.420 0.020 . 1 . . . . A 578 TYR H . 34200 1 594 . 1 1 48 48 TYR HA H 1 4.351 0.020 . 1 . . . . A 578 TYR HA . 34200 1 595 . 1 1 48 48 TYR HB2 H 1 2.959 0.020 . 1 . . . . A 578 TYR HB2 . 34200 1 596 . 1 1 48 48 TYR HB3 H 1 3.610 0.020 . 1 . . . . A 578 TYR HB3 . 34200 1 597 . 1 1 48 48 TYR HD1 H 1 6.950 0.020 . 3 . . . . A 578 TYR HD1 . 34200 1 598 . 1 1 48 48 TYR HD2 H 1 6.950 0.020 . 3 . . . . A 578 TYR HD2 . 34200 1 599 . 1 1 48 48 TYR HE1 H 1 6.662 0.020 . 3 . . . . A 578 TYR HE1 . 34200 1 600 . 1 1 48 48 TYR HE2 H 1 6.662 0.020 . 3 . . . . A 578 TYR HE2 . 34200 1 601 . 1 1 48 48 TYR HH H 1 8.914 0.020 . 1 . . . . A 578 TYR HH . 34200 1 602 . 1 1 48 48 TYR C C 13 174.693 0.300 . 1 . . . . A 578 TYR C . 34200 1 603 . 1 1 48 48 TYR CA C 13 62.936 0.300 . 1 . . . . A 578 TYR CA . 34200 1 604 . 1 1 48 48 TYR CB C 13 35.094 0.300 . 1 . . . . A 578 TYR CB . 34200 1 605 . 1 1 48 48 TYR CD1 C 13 131.055 0.300 . 1 . . . . A 578 TYR CD1 . 34200 1 606 . 1 1 48 48 TYR CE1 C 13 117.476 0.300 . 1 . . . . A 578 TYR CE1 . 34200 1 607 . 1 1 48 48 TYR N N 15 121.400 0.300 . 1 . . . . A 578 TYR N . 34200 1 608 . 1 1 49 49 PRO HA H 1 4.272 0.020 . 1 . . . . A 579 PRO HA . 34200 1 609 . 1 1 49 49 PRO HB2 H 1 1.863 0.020 . 1 . . . . A 579 PRO HB2 . 34200 1 610 . 1 1 49 49 PRO HB3 H 1 2.391 0.020 . 1 . . . . A 579 PRO HB3 . 34200 1 611 . 1 1 49 49 PRO HG2 H 1 2.077 0.020 . 2 . . . . A 579 PRO HG2 . 34200 1 612 . 1 1 49 49 PRO HG3 H 1 2.077 0.020 . 2 . . . . A 579 PRO HG3 . 34200 1 613 . 1 1 49 49 PRO HD2 H 1 3.694 0.020 . 1 . . . . A 579 PRO HD2 . 34200 1 614 . 1 1 49 49 PRO HD3 H 1 3.870 0.020 . 1 . . . . A 579 PRO HD3 . 34200 1 615 . 1 1 49 49 PRO C C 13 177.980 0.300 . 1 . . . . A 579 PRO C . 34200 1 616 . 1 1 49 49 PRO CA C 13 65.601 0.300 . 1 . . . . A 579 PRO CA . 34200 1 617 . 1 1 49 49 PRO CB C 13 31.056 0.300 . 1 . . . . A 579 PRO CB . 34200 1 618 . 1 1 49 49 PRO CG C 13 28.099 0.300 . 1 . . . . A 579 PRO CG . 34200 1 619 . 1 1 49 49 PRO CD C 13 50.021 0.300 . 1 . . . . A 579 PRO CD . 34200 1 620 . 1 1 50 50 LYS H H 1 7.106 0.020 . 1 . . . . A 580 LYS H . 34200 1 621 . 1 1 50 50 LYS HA H 1 4.218 0.020 . 1 . . . . A 580 LYS HA . 34200 1 622 . 1 1 50 50 LYS HB2 H 1 1.921 0.020 . 2 . . . . A 580 LYS HB2 . 34200 1 623 . 1 1 50 50 LYS HB3 H 1 1.921 0.020 . 2 . . . . A 580 LYS HB3 . 34200 1 624 . 1 1 50 50 LYS HG2 H 1 1.413 0.020 . 1 . . . . A 580 LYS HG2 . 34200 1 625 . 1 1 50 50 LYS HG3 H 1 1.526 0.020 . 1 . . . . A 580 LYS HG3 . 34200 1 626 . 1 1 50 50 LYS HD2 H 1 1.694 0.020 . 2 . . . . A 580 LYS HD2 . 34200 1 627 . 1 1 50 50 LYS HD3 H 1 1.694 0.020 . 2 . . . . A 580 LYS HD3 . 34200 1 628 . 1 1 50 50 LYS HE2 H 1 2.987 0.020 . 2 . . . . A 580 LYS HE2 . 34200 1 629 . 1 1 50 50 LYS HE3 H 1 2.987 0.020 . 2 . . . . A 580 LYS HE3 . 34200 1 630 . 1 1 50 50 LYS C C 13 178.407 0.300 . 1 . . . . A 580 LYS C . 34200 1 631 . 1 1 50 50 LYS CA C 13 57.769 0.300 . 1 . . . . A 580 LYS CA . 34200 1 632 . 1 1 50 50 LYS CB C 13 32.836 0.300 . 1 . . . . A 580 LYS CB . 34200 1 633 . 1 1 50 50 LYS CG C 13 25.111 0.300 . 1 . . . . A 580 LYS CG . 34200 1 634 . 1 1 50 50 LYS CD C 13 29.220 0.300 . 1 . . . . A 580 LYS CD . 34200 1 635 . 1 1 50 50 LYS CE C 13 42.154 0.300 . 1 . . . . A 580 LYS CE . 34200 1 636 . 1 1 50 50 LYS N N 15 114.836 0.300 . 1 . . . . A 580 LYS N . 34200 1 637 . 1 1 51 51 LEU H H 1 8.039 0.020 . 1 . . . . A 581 LEU H . 34200 1 638 . 1 1 51 51 LEU HA H 1 3.895 0.020 . 1 . . . . A 581 LEU HA . 34200 1 639 . 1 1 51 51 LEU HB2 H 1 .653 0.020 . 1 . . . . A 581 LEU HB2 . 34200 1 640 . 1 1 51 51 LEU HB3 H 1 1.110 0.020 . 1 . . . . A 581 LEU HB3 . 34200 1 641 . 1 1 51 51 LEU HG H 1 1.280 0.020 . 1 . . . . A 581 LEU HG . 34200 1 642 . 1 1 51 51 LEU HD11 H 1 .418 0.020 . 2 . . . . A 581 LEU HD11 . 34200 1 643 . 1 1 51 51 LEU HD12 H 1 .418 0.020 . 2 . . . . A 581 LEU HD12 . 34200 1 644 . 1 1 51 51 LEU HD13 H 1 .418 0.020 . 2 . . . . A 581 LEU HD13 . 34200 1 645 . 1 1 51 51 LEU HD21 H 1 .461 0.020 . 2 . . . . A 581 LEU HD21 . 34200 1 646 . 1 1 51 51 LEU HD22 H 1 .461 0.020 . 2 . . . . A 581 LEU HD22 . 34200 1 647 . 1 1 51 51 LEU HD23 H 1 .461 0.020 . 2 . . . . A 581 LEU HD23 . 34200 1 648 . 1 1 51 51 LEU C C 13 177.777 0.300 . 1 . . . . A 581 LEU C . 34200 1 649 . 1 1 51 51 LEU CA C 13 57.166 0.300 . 1 . . . . A 581 LEU CA . 34200 1 650 . 1 1 51 51 LEU CB C 13 43.129 0.300 . 1 . . . . A 581 LEU CB . 34200 1 651 . 1 1 51 51 LEU CG C 13 26.563 0.300 . 1 . . . . A 581 LEU CG . 34200 1 652 . 1 1 51 51 LEU CD1 C 13 22.862 0.300 . 1 . . . . A 581 LEU CD1 . 34200 1 653 . 1 1 51 51 LEU CD2 C 13 25.239 0.300 . 1 . . . . A 581 LEU CD2 . 34200 1 654 . 1 1 51 51 LEU N N 15 119.541 0.300 . 1 . . . . A 581 LEU N . 34200 1 655 . 1 1 52 52 PHE H H 1 8.080 0.020 . 1 . . . . A 582 PHE H . 34200 1 656 . 1 1 52 52 PHE HA H 1 4.993 0.020 . 1 . . . . A 582 PHE HA . 34200 1 657 . 1 1 52 52 PHE HB2 H 1 2.978 0.020 . 1 . . . . A 582 PHE HB2 . 34200 1 658 . 1 1 52 52 PHE HB3 H 1 3.268 0.020 . 1 . . . . A 582 PHE HB3 . 34200 1 659 . 1 1 52 52 PHE HD1 H 1 7.298 0.020 . 3 . . . . A 582 PHE HD1 . 34200 1 660 . 1 1 52 52 PHE HD2 H 1 7.298 0.020 . 3 . . . . A 582 PHE HD2 . 34200 1 661 . 1 1 52 52 PHE HE1 H 1 6.623 0.020 . 3 . . . . A 582 PHE HE1 . 34200 1 662 . 1 1 52 52 PHE HE2 H 1 6.623 0.020 . 3 . . . . A 582 PHE HE2 . 34200 1 663 . 1 1 52 52 PHE HZ H 1 6.629 0.020 . 1 . . . . A 582 PHE HZ . 34200 1 664 . 1 1 52 52 PHE C C 13 175.723 0.300 . 1 . . . . A 582 PHE C . 34200 1 665 . 1 1 52 52 PHE CA C 13 56.412 0.300 . 1 . . . . A 582 PHE CA . 34200 1 666 . 1 1 52 52 PHE CB C 13 38.635 0.300 . 1 . . . . A 582 PHE CB . 34200 1 667 . 1 1 52 52 PHE CD1 C 13 132.083 0.300 . 1 . . . . A 582 PHE CD1 . 34200 1 668 . 1 1 52 52 PHE CE1 C 13 130.291 0.300 . 1 . . . . A 582 PHE CE1 . 34200 1 669 . 1 1 52 52 PHE CZ C 13 128.665 0.300 . 1 . . . . A 582 PHE CZ . 34200 1 670 . 1 1 52 52 PHE N N 15 116.240 0.300 . 1 . . . . A 582 PHE N . 34200 1 671 . 1 1 53 53 GLN H H 1 7.440 0.020 . 1 . . . . A 583 GLN H . 34200 1 672 . 1 1 53 53 GLN HA H 1 4.216 0.020 . 1 . . . . A 583 GLN HA . 34200 1 673 . 1 1 53 53 GLN HB2 H 1 2.261 0.020 . 2 . . . . A 583 GLN HB2 . 34200 1 674 . 1 1 53 53 GLN HB3 H 1 2.261 0.020 . 2 . . . . A 583 GLN HB3 . 34200 1 675 . 1 1 53 53 GLN HG2 H 1 2.422 0.020 . 2 . . . . A 583 GLN HG2 . 34200 1 676 . 1 1 53 53 GLN HG3 H 1 2.422 0.020 . 2 . . . . A 583 GLN HG3 . 34200 1 677 . 1 1 53 53 GLN HE21 H 1 6.954 0.020 . 1 . . . . A 583 GLN HE21 . 34200 1 678 . 1 1 53 53 GLN HE22 H 1 7.686 0.020 . 1 . . . . A 583 GLN HE22 . 34200 1 679 . 1 1 53 53 GLN C C 13 176.839 0.300 . 1 . . . . A 583 GLN C . 34200 1 680 . 1 1 53 53 GLN CA C 13 57.999 0.300 . 1 . . . . A 583 GLN CA . 34200 1 681 . 1 1 53 53 GLN CB C 13 29.574 0.300 . 1 . . . . A 583 GLN CB . 34200 1 682 . 1 1 53 53 GLN CG C 13 34.053 0.300 . 1 . . . . A 583 GLN CG . 34200 1 683 . 1 1 53 53 GLN N N 15 119.154 0.300 . 1 . . . . A 583 GLN N . 34200 1 684 . 1 1 53 53 GLN NE2 N 15 112.528 0.300 . 1 . . . . A 583 GLN NE2 . 34200 1 685 . 1 1 54 54 LYS H H 1 8.324 0.020 . 1 . . . . A 584 LYS H . 34200 1 686 . 1 1 54 54 LYS HA H 1 4.454 0.020 . 1 . . . . A 584 LYS HA . 34200 1 687 . 1 1 54 54 LYS HB2 H 1 1.830 0.020 . 1 . . . . A 584 LYS HB2 . 34200 1 688 . 1 1 54 54 LYS HB3 H 1 1.946 0.020 . 1 . . . . A 584 LYS HB3 . 34200 1 689 . 1 1 54 54 LYS HG2 H 1 1.473 0.020 . 1 . . . . A 584 LYS HG2 . 34200 1 690 . 1 1 54 54 LYS HG3 H 1 1.513 0.020 . 1 . . . . A 584 LYS HG3 . 34200 1 691 . 1 1 54 54 LYS HD2 H 1 1.701 0.020 . 2 . . . . A 584 LYS HD2 . 34200 1 692 . 1 1 54 54 LYS HD3 H 1 1.701 0.020 . 2 . . . . A 584 LYS HD3 . 34200 1 693 . 1 1 54 54 LYS HE2 H 1 3.033 0.020 . 2 . . . . A 584 LYS HE2 . 34200 1 694 . 1 1 54 54 LYS HE3 H 1 3.033 0.020 . 2 . . . . A 584 LYS HE3 . 34200 1 695 . 1 1 54 54 LYS C C 13 175.911 0.300 . 1 . . . . A 584 LYS C . 34200 1 696 . 1 1 54 54 LYS CA C 13 56.274 0.300 . 1 . . . . A 584 LYS CA . 34200 1 697 . 1 1 54 54 LYS CB C 13 33.216 0.300 . 1 . . . . A 584 LYS CB . 34200 1 698 . 1 1 54 54 LYS CG C 13 25.059 0.300 . 1 . . . . A 584 LYS CG . 34200 1 699 . 1 1 54 54 LYS CD C 13 29.056 0.300 . 1 . . . . A 584 LYS CD . 34200 1 700 . 1 1 54 54 LYS CE C 13 42.131 0.300 . 1 . . . . A 584 LYS CE . 34200 1 701 . 1 1 54 54 LYS N N 15 117.783 0.300 . 1 . . . . A 584 LYS N . 34200 1 702 . 1 1 55 55 ASN H H 1 7.837 0.020 . 1 . . . . A 585 ASN H . 34200 1 703 . 1 1 55 55 ASN HA H 1 4.507 0.020 . 1 . . . . A 585 ASN HA . 34200 1 704 . 1 1 55 55 ASN HB2 H 1 2.634 0.020 . 1 . . . . A 585 ASN HB2 . 34200 1 705 . 1 1 55 55 ASN HB3 H 1 2.717 0.020 . 1 . . . . A 585 ASN HB3 . 34200 1 706 . 1 1 55 55 ASN HD21 H 1 7.636 0.020 . 1 . . . . A 585 ASN HD21 . 34200 1 707 . 1 1 55 55 ASN HD22 H 1 7.027 0.020 . 1 . . . . A 585 ASN HD22 . 34200 1 708 . 1 1 55 55 ASN C C 13 174.237 0.300 . 1 . . . . A 585 ASN C . 34200 1 709 . 1 1 55 55 ASN CA C 13 53.960 0.300 . 1 . . . . A 585 ASN CA . 34200 1 710 . 1 1 55 55 ASN CB C 13 40.137 0.300 . 1 . . . . A 585 ASN CB . 34200 1 711 . 1 1 55 55 ASN N N 15 115.659 0.300 . 1 . . . . A 585 ASN N . 34200 1 712 . 1 1 55 55 ASN ND2 N 15 113.342 0.300 . 1 . . . . A 585 ASN ND2 . 34200 1 713 . 1 1 56 56 LEU H H 1 8.104 0.020 . 1 . . . . A 586 LEU H . 34200 1 714 . 1 1 56 56 LEU HA H 1 4.294 0.020 . 1 . . . . A 586 LEU HA . 34200 1 715 . 1 1 56 56 LEU HB2 H 1 1.178 0.020 . 1 . . . . A 586 LEU HB2 . 34200 1 716 . 1 1 56 56 LEU HB3 H 1 1.596 0.020 . 1 . . . . A 586 LEU HB3 . 34200 1 717 . 1 1 56 56 LEU HG H 1 1.188 0.020 . 1 . . . . A 586 LEU HG . 34200 1 718 . 1 1 56 56 LEU HD11 H 1 .429 0.020 . 2 . . . . A 586 LEU HD11 . 34200 1 719 . 1 1 56 56 LEU HD12 H 1 .429 0.020 . 2 . . . . A 586 LEU HD12 . 34200 1 720 . 1 1 56 56 LEU HD13 H 1 .429 0.020 . 2 . . . . A 586 LEU HD13 . 34200 1 721 . 1 1 56 56 LEU HD21 H 1 .728 0.020 . 2 . . . . A 586 LEU HD21 . 34200 1 722 . 1 1 56 56 LEU HD22 H 1 .728 0.020 . 2 . . . . A 586 LEU HD22 . 34200 1 723 . 1 1 56 56 LEU HD23 H 1 .728 0.020 . 2 . . . . A 586 LEU HD23 . 34200 1 724 . 1 1 56 56 LEU C C 13 174.013 0.300 . 1 . . . . A 586 LEU C . 34200 1 725 . 1 1 56 56 LEU CA C 13 54.066 0.300 . 1 . . . . A 586 LEU CA . 34200 1 726 . 1 1 56 56 LEU CB C 13 42.810 0.300 . 1 . . . . A 586 LEU CB . 34200 1 727 . 1 1 56 56 LEU CG C 13 26.790 0.300 . 1 . . . . A 586 LEU CG . 34200 1 728 . 1 1 56 56 LEU CD1 C 13 21.829 0.300 . 1 . . . . A 586 LEU CD1 . 34200 1 729 . 1 1 56 56 LEU CD2 C 13 26.450 0.300 . 1 . . . . A 586 LEU CD2 . 34200 1 730 . 1 1 56 56 LEU N N 15 124.015 0.300 . 1 . . . . A 586 LEU N . 34200 1 731 . 1 1 57 57 ASP H H 1 8.817 0.020 . 1 . . . . A 587 ASP H . 34200 1 732 . 1 1 57 57 ASP HA H 1 4.760 0.020 . 1 . . . . A 587 ASP HA . 34200 1 733 . 1 1 57 57 ASP HB2 H 1 2.574 0.020 . 1 . . . . A 587 ASP HB2 . 34200 1 734 . 1 1 57 57 ASP HB3 H 1 2.729 0.020 . 1 . . . . A 587 ASP HB3 . 34200 1 735 . 1 1 57 57 ASP C C 13 175.412 0.300 . 1 . . . . A 587 ASP C . 34200 1 736 . 1 1 57 57 ASP CA C 13 52.152 0.300 . 1 . . . . A 587 ASP CA . 34200 1 737 . 1 1 57 57 ASP CB C 13 42.526 0.300 . 1 . . . . A 587 ASP CB . 34200 1 738 . 1 1 57 57 ASP N N 15 110.113 0.300 . 1 . . . . A 587 ASP N . 34200 1 739 . 1 1 58 58 PRO HA H 1 4.151 0.020 . 1 . . . . A 588 PRO HA . 34200 1 740 . 1 1 58 58 PRO HB2 H 1 2.065 0.020 . 1 . . . . A 588 PRO HB2 . 34200 1 741 . 1 1 58 58 PRO HB3 H 1 2.432 0.020 . 1 . . . . A 588 PRO HB3 . 34200 1 742 . 1 1 58 58 PRO HG2 H 1 1.852 0.020 . 1 . . . . A 588 PRO HG2 . 34200 1 743 . 1 1 58 58 PRO HG3 H 1 2.014 0.020 . 1 . . . . A 588 PRO HG3 . 34200 1 744 . 1 1 58 58 PRO HD2 H 1 3.769 0.020 . 1 . . . . A 588 PRO HD2 . 34200 1 745 . 1 1 58 58 PRO HD3 H 1 3.989 0.020 . 1 . . . . A 588 PRO HD3 . 34200 1 746 . 1 1 58 58 PRO C C 13 177.384 0.300 . 1 . . . . A 588 PRO C . 34200 1 747 . 1 1 58 58 PRO CA C 13 65.984 0.300 . 1 . . . . A 588 PRO CA . 34200 1 748 . 1 1 58 58 PRO CB C 13 32.309 0.300 . 1 . . . . A 588 PRO CB . 34200 1 749 . 1 1 58 58 PRO CG C 13 27.710 0.300 . 1 . . . . A 588 PRO CG . 34200 1 750 . 1 1 58 58 PRO CD C 13 51.247 0.300 . 1 . . . . A 588 PRO CD . 34200 1 751 . 1 1 59 59 ASP H H 1 8.171 0.020 . 1 . . . . A 589 ASP H . 34200 1 752 . 1 1 59 59 ASP HA H 1 4.628 0.020 . 1 . . . . A 589 ASP HA . 34200 1 753 . 1 1 59 59 ASP HB2 H 1 2.712 0.020 . 1 . . . . A 589 ASP HB2 . 34200 1 754 . 1 1 59 59 ASP HB3 H 1 2.846 0.020 . 1 . . . . A 589 ASP HB3 . 34200 1 755 . 1 1 59 59 ASP C C 13 179.654 0.300 . 1 . . . . A 589 ASP C . 34200 1 756 . 1 1 59 59 ASP CA C 13 57.637 0.300 . 1 . . . . A 589 ASP CA . 34200 1 757 . 1 1 59 59 ASP CB C 13 40.738 0.300 . 1 . . . . A 589 ASP CB . 34200 1 758 . 1 1 59 59 ASP N N 15 117.043 0.300 . 1 . . . . A 589 ASP N . 34200 1 759 . 1 1 60 60 VAL H H 1 7.867 0.020 . 1 . . . . A 590 VAL H . 34200 1 760 . 1 1 60 60 VAL HA H 1 3.640 0.020 . 1 . . . . A 590 VAL HA . 34200 1 761 . 1 1 60 60 VAL HB H 1 2.227 0.020 . 1 . . . . A 590 VAL HB . 34200 1 762 . 1 1 60 60 VAL HG11 H 1 .508 0.020 . 2 . . . . A 590 VAL HG11 . 34200 1 763 . 1 1 60 60 VAL HG12 H 1 .508 0.020 . 2 . . . . A 590 VAL HG12 . 34200 1 764 . 1 1 60 60 VAL HG13 H 1 .508 0.020 . 2 . . . . A 590 VAL HG13 . 34200 1 765 . 1 1 60 60 VAL HG21 H 1 .914 0.020 . 2 . . . . A 590 VAL HG21 . 34200 1 766 . 1 1 60 60 VAL HG22 H 1 .914 0.020 . 2 . . . . A 590 VAL HG22 . 34200 1 767 . 1 1 60 60 VAL HG23 H 1 .914 0.020 . 2 . . . . A 590 VAL HG23 . 34200 1 768 . 1 1 60 60 VAL C C 13 177.473 0.300 . 1 . . . . A 590 VAL C . 34200 1 769 . 1 1 60 60 VAL CA C 13 66.472 0.300 . 1 . . . . A 590 VAL CA . 34200 1 770 . 1 1 60 60 VAL CB C 13 31.678 0.300 . 1 . . . . A 590 VAL CB . 34200 1 771 . 1 1 60 60 VAL CG1 C 13 20.960 0.300 . 1 . . . . A 590 VAL CG1 . 34200 1 772 . 1 1 60 60 VAL CG2 C 13 23.223 0.300 . 1 . . . . A 590 VAL CG2 . 34200 1 773 . 1 1 60 60 VAL N N 15 122.221 0.300 . 1 . . . . A 590 VAL N . 34200 1 774 . 1 1 61 61 PHE H H 1 8.183 0.020 . 1 . . . . A 591 PHE H . 34200 1 775 . 1 1 61 61 PHE HA H 1 4.000 0.020 . 1 . . . . A 591 PHE HA . 34200 1 776 . 1 1 61 61 PHE HB2 H 1 2.857 0.020 . 1 . . . . A 591 PHE HB2 . 34200 1 777 . 1 1 61 61 PHE HB3 H 1 3.318 0.020 . 1 . . . . A 591 PHE HB3 . 34200 1 778 . 1 1 61 61 PHE HD1 H 1 7.215 0.020 . 3 . . . . A 591 PHE HD1 . 34200 1 779 . 1 1 61 61 PHE HD2 H 1 7.215 0.020 . 3 . . . . A 591 PHE HD2 . 34200 1 780 . 1 1 61 61 PHE HE1 H 1 7.401 0.020 . 3 . . . . A 591 PHE HE1 . 34200 1 781 . 1 1 61 61 PHE HE2 H 1 7.401 0.020 . 3 . . . . A 591 PHE HE2 . 34200 1 782 . 1 1 61 61 PHE HZ H 1 7.554 0.020 . 1 . . . . A 591 PHE HZ . 34200 1 783 . 1 1 61 61 PHE C C 13 175.701 0.300 . 1 . . . . A 591 PHE C . 34200 1 784 . 1 1 61 61 PHE CA C 13 61.437 0.300 . 1 . . . . A 591 PHE CA . 34200 1 785 . 1 1 61 61 PHE CB C 13 38.839 0.300 . 1 . . . . A 591 PHE CB . 34200 1 786 . 1 1 61 61 PHE CD1 C 13 132.145 0.300 . 1 . . . . A 591 PHE CD1 . 34200 1 787 . 1 1 61 61 PHE CE1 C 13 130.495 0.300 . 1 . . . . A 591 PHE CE1 . 34200 1 788 . 1 1 61 61 PHE N N 15 118.987 0.300 . 1 . . . . A 591 PHE N . 34200 1 789 . 1 1 62 62 ASN H H 1 8.504 0.020 . 1 . . . . A 592 ASN H . 34200 1 790 . 1 1 62 62 ASN HA H 1 4.131 0.020 . 1 . . . . A 592 ASN HA . 34200 1 791 . 1 1 62 62 ASN HB2 H 1 2.755 0.020 . 1 . . . . A 592 ASN HB2 . 34200 1 792 . 1 1 62 62 ASN HB3 H 1 2.957 0.020 . 1 . . . . A 592 ASN HB3 . 34200 1 793 . 1 1 62 62 ASN HD21 H 1 7.434 0.020 . 1 . . . . A 592 ASN HD21 . 34200 1 794 . 1 1 62 62 ASN HD22 H 1 6.684 0.020 . 1 . . . . A 592 ASN HD22 . 34200 1 795 . 1 1 62 62 ASN C C 13 178.707 0.300 . 1 . . . . A 592 ASN C . 34200 1 796 . 1 1 62 62 ASN CA C 13 56.232 0.300 . 1 . . . . A 592 ASN CA . 34200 1 797 . 1 1 62 62 ASN CB C 13 38.213 0.300 . 1 . . . . A 592 ASN CB . 34200 1 798 . 1 1 62 62 ASN N N 15 116.212 0.300 . 1 . . . . A 592 ASN N . 34200 1 799 . 1 1 62 62 ASN ND2 N 15 111.221 0.300 . 1 . . . . A 592 ASN ND2 . 34200 1 800 . 1 1 63 63 GLN H H 1 8.167 0.020 . 1 . . . . A 593 GLN H . 34200 1 801 . 1 1 63 63 GLN HA H 1 4.273 0.020 . 1 . . . . A 593 GLN HA . 34200 1 802 . 1 1 63 63 GLN HB2 H 1 2.294 0.020 . 1 . . . . A 593 GLN HB2 . 34200 1 803 . 1 1 63 63 GLN HB3 H 1 2.505 0.020 . 1 . . . . A 593 GLN HB3 . 34200 1 804 . 1 1 63 63 GLN HG2 H 1 2.385 0.020 . 2 . . . . A 593 GLN HG2 . 34200 1 805 . 1 1 63 63 GLN HG3 H 1 2.385 0.020 . 2 . . . . A 593 GLN HG3 . 34200 1 806 . 1 1 63 63 GLN HE21 H 1 6.981 0.020 . 1 . . . . A 593 GLN HE21 . 34200 1 807 . 1 1 63 63 GLN HE22 H 1 7.381 0.020 . 1 . . . . A 593 GLN HE22 . 34200 1 808 . 1 1 63 63 GLN C C 13 178.609 0.300 . 1 . . . . A 593 GLN C . 34200 1 809 . 1 1 63 63 GLN CA C 13 58.751 0.300 . 1 . . . . A 593 GLN CA . 34200 1 810 . 1 1 63 63 GLN CB C 13 29.807 0.300 . 1 . . . . A 593 GLN CB . 34200 1 811 . 1 1 63 63 GLN CG C 13 35.126 0.300 . 1 . . . . A 593 GLN CG . 34200 1 812 . 1 1 63 63 GLN N N 15 120.132 0.300 . 1 . . . . A 593 GLN N . 34200 1 813 . 1 1 63 63 GLN NE2 N 15 111.874 0.300 . 1 . . . . A 593 GLN NE2 . 34200 1 814 . 1 1 64 64 ILE H H 1 8.707 0.020 . 1 . . . . A 594 ILE H . 34200 1 815 . 1 1 64 64 ILE HA H 1 3.601 0.020 . 1 . . . . A 594 ILE HA . 34200 1 816 . 1 1 64 64 ILE HB H 1 2.025 0.020 . 1 . . . . A 594 ILE HB . 34200 1 817 . 1 1 64 64 ILE HG12 H 1 1.136 0.020 . 1 . . . . A 594 ILE HG12 . 34200 1 818 . 1 1 64 64 ILE HG13 H 1 2.297 0.020 . 1 . . . . A 594 ILE HG13 . 34200 1 819 . 1 1 64 64 ILE HG21 H 1 .877 0.020 . 1 . . . . A 594 ILE HG21 . 34200 1 820 . 1 1 64 64 ILE HG22 H 1 .877 0.020 . 1 . . . . A 594 ILE HG22 . 34200 1 821 . 1 1 64 64 ILE HG23 H 1 .877 0.020 . 1 . . . . A 594 ILE HG23 . 34200 1 822 . 1 1 64 64 ILE HD11 H 1 .818 0.020 . 1 . . . . A 594 ILE HD11 . 34200 1 823 . 1 1 64 64 ILE HD12 H 1 .818 0.020 . 1 . . . . A 594 ILE HD12 . 34200 1 824 . 1 1 64 64 ILE HD13 H 1 .818 0.020 . 1 . . . . A 594 ILE HD13 . 34200 1 825 . 1 1 64 64 ILE C C 13 177.415 0.300 . 1 . . . . A 594 ILE C . 34200 1 826 . 1 1 64 64 ILE CA C 13 67.406 0.300 . 1 . . . . A 594 ILE CA . 34200 1 827 . 1 1 64 64 ILE CB C 13 37.878 0.300 . 1 . . . . A 594 ILE CB . 34200 1 828 . 1 1 64 64 ILE CG1 C 13 30.203 0.300 . 1 . . . . A 594 ILE CG1 . 34200 1 829 . 1 1 64 64 ILE CG2 C 13 16.871 0.300 . 1 . . . . A 594 ILE CG2 . 34200 1 830 . 1 1 64 64 ILE CD1 C 13 13.604 0.300 . 1 . . . . A 594 ILE CD1 . 34200 1 831 . 1 1 64 64 ILE N N 15 121.231 0.300 . 1 . . . . A 594 ILE N . 34200 1 832 . 1 1 65 65 VAL H H 1 7.935 0.020 . 1 . . . . A 595 VAL H . 34200 1 833 . 1 1 65 65 VAL HA H 1 3.287 0.020 . 1 . . . . A 595 VAL HA . 34200 1 834 . 1 1 65 65 VAL HB H 1 1.872 0.020 . 1 . . . . A 595 VAL HB . 34200 1 835 . 1 1 65 65 VAL HG11 H 1 .499 0.020 . 2 . . . . A 595 VAL HG11 . 34200 1 836 . 1 1 65 65 VAL HG12 H 1 .499 0.020 . 2 . . . . A 595 VAL HG12 . 34200 1 837 . 1 1 65 65 VAL HG13 H 1 .499 0.020 . 2 . . . . A 595 VAL HG13 . 34200 1 838 . 1 1 65 65 VAL HG21 H 1 .712 0.020 . 2 . . . . A 595 VAL HG21 . 34200 1 839 . 1 1 65 65 VAL HG22 H 1 .712 0.020 . 2 . . . . A 595 VAL HG22 . 34200 1 840 . 1 1 65 65 VAL HG23 H 1 .712 0.020 . 2 . . . . A 595 VAL HG23 . 34200 1 841 . 1 1 65 65 VAL C C 13 177.272 0.300 . 1 . . . . A 595 VAL C . 34200 1 842 . 1 1 65 65 VAL CA C 13 67.428 0.300 . 1 . . . . A 595 VAL CA . 34200 1 843 . 1 1 65 65 VAL CB C 13 31.329 0.300 . 1 . . . . A 595 VAL CB . 34200 1 844 . 1 1 65 65 VAL CG1 C 13 22.035 0.300 . 1 . . . . A 595 VAL CG1 . 34200 1 845 . 1 1 65 65 VAL CG2 C 13 21.691 0.300 . 1 . . . . A 595 VAL CG2 . 34200 1 846 . 1 1 65 65 VAL N N 15 117.623 0.300 . 1 . . . . A 595 VAL N . 34200 1 847 . 1 1 66 66 LYS H H 1 7.802 0.020 . 1 . . . . A 596 LYS H . 34200 1 848 . 1 1 66 66 LYS HA H 1 3.940 0.020 . 1 . . . . A 596 LYS HA . 34200 1 849 . 1 1 66 66 LYS HB2 H 1 1.941 0.020 . 1 . . . . A 596 LYS HB2 . 34200 1 850 . 1 1 66 66 LYS HB3 H 1 2.099 0.020 . 1 . . . . A 596 LYS HB3 . 34200 1 851 . 1 1 66 66 LYS HG2 H 1 1.472 0.020 . 2 . . . . A 596 LYS HG2 . 34200 1 852 . 1 1 66 66 LYS HG3 H 1 1.472 0.020 . 2 . . . . A 596 LYS HG3 . 34200 1 853 . 1 1 66 66 LYS HD2 H 1 1.710 0.020 . 2 . . . . A 596 LYS HD2 . 34200 1 854 . 1 1 66 66 LYS HD3 H 1 1.710 0.020 . 2 . . . . A 596 LYS HD3 . 34200 1 855 . 1 1 66 66 LYS HE2 H 1 3.035 0.020 . 2 . . . . A 596 LYS HE2 . 34200 1 856 . 1 1 66 66 LYS HE3 H 1 3.035 0.020 . 2 . . . . A 596 LYS HE3 . 34200 1 857 . 1 1 66 66 LYS C C 13 178.386 0.300 . 1 . . . . A 596 LYS C . 34200 1 858 . 1 1 66 66 LYS CA C 13 60.296 0.300 . 1 . . . . A 596 LYS CA . 34200 1 859 . 1 1 66 66 LYS CB C 13 32.639 0.300 . 1 . . . . A 596 LYS CB . 34200 1 860 . 1 1 66 66 LYS CG C 13 25.214 0.300 . 1 . . . . A 596 LYS CG . 34200 1 861 . 1 1 66 66 LYS CD C 13 29.337 0.300 . 1 . . . . A 596 LYS CD . 34200 1 862 . 1 1 66 66 LYS CE C 13 42.311 0.300 . 1 . . . . A 596 LYS CE . 34200 1 863 . 1 1 66 66 LYS N N 15 119.408 0.300 . 1 . . . . A 596 LYS N . 34200 1 864 . 1 1 67 67 ILE H H 1 8.298 0.020 . 1 . . . . A 597 ILE H . 34200 1 865 . 1 1 67 67 ILE HA H 1 4.208 0.020 . 1 . . . . A 597 ILE HA . 34200 1 866 . 1 1 67 67 ILE HB H 1 2.366 0.020 . 1 . . . . A 597 ILE HB . 34200 1 867 . 1 1 67 67 ILE HG12 H 1 1.429 0.020 . 1 . . . . A 597 ILE HG12 . 34200 1 868 . 1 1 67 67 ILE HG13 H 1 1.893 0.020 . 1 . . . . A 597 ILE HG13 . 34200 1 869 . 1 1 67 67 ILE HG21 H 1 1.276 0.020 . 1 . . . . A 597 ILE HG21 . 34200 1 870 . 1 1 67 67 ILE HG22 H 1 1.276 0.020 . 1 . . . . A 597 ILE HG22 . 34200 1 871 . 1 1 67 67 ILE HG23 H 1 1.276 0.020 . 1 . . . . A 597 ILE HG23 . 34200 1 872 . 1 1 67 67 ILE HD11 H 1 .929 0.020 . 1 . . . . A 597 ILE HD11 . 34200 1 873 . 1 1 67 67 ILE HD12 H 1 .929 0.020 . 1 . . . . A 597 ILE HD12 . 34200 1 874 . 1 1 67 67 ILE HD13 H 1 .929 0.020 . 1 . . . . A 597 ILE HD13 . 34200 1 875 . 1 1 67 67 ILE C C 13 179.925 0.300 . 1 . . . . A 597 ILE C . 34200 1 876 . 1 1 67 67 ILE CA C 13 62.892 0.300 . 1 . . . . A 597 ILE CA . 34200 1 877 . 1 1 67 67 ILE CB C 13 35.890 0.300 . 1 . . . . A 597 ILE CB . 34200 1 878 . 1 1 67 67 ILE CG1 C 13 28.025 0.300 . 1 . . . . A 597 ILE CG1 . 34200 1 879 . 1 1 67 67 ILE CG2 C 13 18.988 0.300 . 1 . . . . A 597 ILE CG2 . 34200 1 880 . 1 1 67 67 ILE CD1 C 13 11.029 0.300 . 1 . . . . A 597 ILE CD1 . 34200 1 881 . 1 1 67 67 ILE N N 15 120.723 0.300 . 1 . . . . A 597 ILE N . 34200 1 882 . 1 1 68 68 LEU H H 1 8.847 0.020 . 1 . . . . A 598 LEU H . 34200 1 883 . 1 1 68 68 LEU HA H 1 3.908 0.020 . 1 . . . . A 598 LEU HA . 34200 1 884 . 1 1 68 68 LEU HB2 H 1 1.083 0.020 . 1 . . . . A 598 LEU HB2 . 34200 1 885 . 1 1 68 68 LEU HB3 H 1 2.206 0.020 . 1 . . . . A 598 LEU HB3 . 34200 1 886 . 1 1 68 68 LEU HG H 1 1.782 0.020 . 1 . . . . A 598 LEU HG . 34200 1 887 . 1 1 68 68 LEU HD11 H 1 .044 0.020 . 2 . . . . A 598 LEU HD11 . 34200 1 888 . 1 1 68 68 LEU HD12 H 1 .044 0.020 . 2 . . . . A 598 LEU HD12 . 34200 1 889 . 1 1 68 68 LEU HD13 H 1 .044 0.020 . 2 . . . . A 598 LEU HD13 . 34200 1 890 . 1 1 68 68 LEU HD21 H 1 .585 0.020 . 2 . . . . A 598 LEU HD21 . 34200 1 891 . 1 1 68 68 LEU HD22 H 1 .585 0.020 . 2 . . . . A 598 LEU HD22 . 34200 1 892 . 1 1 68 68 LEU HD23 H 1 .585 0.020 . 2 . . . . A 598 LEU HD23 . 34200 1 893 . 1 1 68 68 LEU C C 13 178.673 0.300 . 1 . . . . A 598 LEU C . 34200 1 894 . 1 1 68 68 LEU CA C 13 57.947 0.300 . 1 . . . . A 598 LEU CA . 34200 1 895 . 1 1 68 68 LEU CB C 13 41.969 0.300 . 1 . . . . A 598 LEU CB . 34200 1 896 . 1 1 68 68 LEU CG C 13 26.312 0.300 . 1 . . . . A 598 LEU CG . 34200 1 897 . 1 1 68 68 LEU CD1 C 13 22.148 0.300 . 1 . . . . A 598 LEU CD1 . 34200 1 898 . 1 1 68 68 LEU CD2 C 13 25.131 0.300 . 1 . . . . A 598 LEU CD2 . 34200 1 899 . 1 1 68 68 LEU N N 15 122.145 0.300 . 1 . . . . A 598 LEU N . 34200 1 900 . 1 1 69 69 HIS H H 1 8.126 0.020 . 1 . . . . A 599 HIS H . 34200 1 901 . 1 1 69 69 HIS HA H 1 3.895 0.020 . 1 . . . . A 599 HIS HA . 34200 1 902 . 1 1 69 69 HIS HB2 H 1 2.958 0.020 . 1 . . . . A 599 HIS HB2 . 34200 1 903 . 1 1 69 69 HIS HB3 H 1 3.351 0.020 . 1 . . . . A 599 HIS HB3 . 34200 1 904 . 1 1 69 69 HIS HD2 H 1 6.750 0.020 . 1 . . . . A 599 HIS HD2 . 34200 1 905 . 1 1 69 69 HIS HE1 H 1 7.788 0.020 . 1 . . . . A 599 HIS HE1 . 34200 1 906 . 1 1 69 69 HIS C C 13 176.636 0.300 . 1 . . . . A 599 HIS C . 34200 1 907 . 1 1 69 69 HIS CA C 13 60.031 0.300 . 1 . . . . A 599 HIS CA . 34200 1 908 . 1 1 69 69 HIS CB C 13 29.922 0.300 . 1 . . . . A 599 HIS CB . 34200 1 909 . 1 1 69 69 HIS CD2 C 13 127.277 0.300 . 1 . . . . A 599 HIS CD2 . 34200 1 910 . 1 1 69 69 HIS CE1 C 13 139.803 0.300 . 1 . . . . A 599 HIS CE1 . 34200 1 911 . 1 1 69 69 HIS N N 15 116.816 0.300 . 1 . . . . A 599 HIS N . 34200 1 912 . 1 1 70 70 ASP H H 1 9.541 0.020 . 1 . . . . A 600 ASP H . 34200 1 913 . 1 1 70 70 ASP HA H 1 4.203 0.020 . 1 . . . . A 600 ASP HA . 34200 1 914 . 1 1 70 70 ASP HB2 H 1 2.326 0.020 . 1 . . . . A 600 ASP HB2 . 34200 1 915 . 1 1 70 70 ASP HB3 H 1 2.789 0.020 . 1 . . . . A 600 ASP HB3 . 34200 1 916 . 1 1 70 70 ASP C C 13 176.487 0.300 . 1 . . . . A 600 ASP C . 34200 1 917 . 1 1 70 70 ASP CA C 13 56.675 0.300 . 1 . . . . A 600 ASP CA . 34200 1 918 . 1 1 70 70 ASP CB C 13 40.394 0.300 . 1 . . . . A 600 ASP CB . 34200 1 919 . 1 1 70 70 ASP N N 15 119.155 0.300 . 1 . . . . A 600 ASP N . 34200 1 920 . 1 1 71 71 PHE H H 1 8.645 0.020 . 1 . . . . A 601 PHE H . 34200 1 921 . 1 1 71 71 PHE HA H 1 4.409 0.020 . 1 . . . . A 601 PHE HA . 34200 1 922 . 1 1 71 71 PHE HB2 H 1 1.704 0.020 . 1 . . . . A 601 PHE HB2 . 34200 1 923 . 1 1 71 71 PHE HB3 H 1 2.789 0.020 . 1 . . . . A 601 PHE HB3 . 34200 1 924 . 1 1 71 71 PHE HD1 H 1 6.920 0.020 . 3 . . . . A 601 PHE HD1 . 34200 1 925 . 1 1 71 71 PHE HD2 H 1 6.920 0.020 . 3 . . . . A 601 PHE HD2 . 34200 1 926 . 1 1 71 71 PHE HE1 H 1 7.373 0.020 . 3 . . . . A 601 PHE HE1 . 34200 1 927 . 1 1 71 71 PHE HE2 H 1 7.373 0.020 . 3 . . . . A 601 PHE HE2 . 34200 1 928 . 1 1 71 71 PHE HZ H 1 7.176 0.020 . 1 . . . . A 601 PHE HZ . 34200 1 929 . 1 1 71 71 PHE C C 13 175.719 0.300 . 1 . . . . A 601 PHE C . 34200 1 930 . 1 1 71 71 PHE CA C 13 59.794 0.300 . 1 . . . . A 601 PHE CA . 34200 1 931 . 1 1 71 71 PHE CB C 13 42.019 0.300 . 1 . . . . A 601 PHE CB . 34200 1 932 . 1 1 71 71 PHE CD1 C 13 131.580 0.300 . 1 . . . . A 601 PHE CD1 . 34200 1 933 . 1 1 71 71 PHE CE1 C 13 132.112 0.300 . 1 . . . . A 601 PHE CE1 . 34200 1 934 . 1 1 71 71 PHE N N 15 114.579 0.300 . 1 . . . . A 601 PHE N . 34200 1 935 . 1 1 72 72 TYR H H 1 7.997 0.020 . 1 . . . . A 602 TYR H . 34200 1 936 . 1 1 72 72 TYR HA H 1 4.076 0.020 . 1 . . . . A 602 TYR HA . 34200 1 937 . 1 1 72 72 TYR HB2 H 1 2.572 0.020 . 1 . . . . A 602 TYR HB2 . 34200 1 938 . 1 1 72 72 TYR HB3 H 1 4.150 0.020 . 1 . . . . A 602 TYR HB3 . 34200 1 939 . 1 1 72 72 TYR HD1 H 1 6.924 0.020 . 3 . . . . A 602 TYR HD1 . 34200 1 940 . 1 1 72 72 TYR HD2 H 1 6.924 0.020 . 3 . . . . A 602 TYR HD2 . 34200 1 941 . 1 1 72 72 TYR HE1 H 1 6.852 0.020 . 3 . . . . A 602 TYR HE1 . 34200 1 942 . 1 1 72 72 TYR HE2 H 1 6.852 0.020 . 3 . . . . A 602 TYR HE2 . 34200 1 943 . 1 1 72 72 TYR HH H 1 9.525 0.020 . 1 . . . . A 602 TYR HH . 34200 1 944 . 1 1 72 72 TYR C C 13 178.531 0.300 . 1 . . . . A 602 TYR C . 34200 1 945 . 1 1 72 72 TYR CA C 13 61.709 0.300 . 1 . . . . A 602 TYR CA . 34200 1 946 . 1 1 72 72 TYR CB C 13 37.681 0.300 . 1 . . . . A 602 TYR CB . 34200 1 947 . 1 1 72 72 TYR CD1 C 13 133.537 0.300 . 1 . . . . A 602 TYR CD1 . 34200 1 948 . 1 1 72 72 TYR CE1 C 13 118.574 0.300 . 1 . . . . A 602 TYR CE1 . 34200 1 949 . 1 1 72 72 TYR N N 15 118.284 0.300 . 1 . . . . A 602 TYR N . 34200 1 950 . 1 1 73 73 ILE H H 1 7.224 0.020 . 1 . . . . A 603 ILE H . 34200 1 951 . 1 1 73 73 ILE HA H 1 2.985 0.020 . 1 . . . . A 603 ILE HA . 34200 1 952 . 1 1 73 73 ILE HB H 1 1.544 0.020 . 1 . . . . A 603 ILE HB . 34200 1 953 . 1 1 73 73 ILE HG12 H 1 .217 0.020 . 1 . . . . A 603 ILE HG12 . 34200 1 954 . 1 1 73 73 ILE HG13 H 1 1.705 0.020 . 1 . . . . A 603 ILE HG13 . 34200 1 955 . 1 1 73 73 ILE HG21 H 1 .017 0.020 . 1 . . . . A 603 ILE HG21 . 34200 1 956 . 1 1 73 73 ILE HG22 H 1 .017 0.020 . 1 . . . . A 603 ILE HG22 . 34200 1 957 . 1 1 73 73 ILE HG23 H 1 .017 0.020 . 1 . . . . A 603 ILE HG23 . 34200 1 958 . 1 1 73 73 ILE HD11 H 1 .564 0.020 . 1 . . . . A 603 ILE HD11 . 34200 1 959 . 1 1 73 73 ILE HD12 H 1 .564 0.020 . 1 . . . . A 603 ILE HD12 . 34200 1 960 . 1 1 73 73 ILE HD13 H 1 .564 0.020 . 1 . . . . A 603 ILE HD13 . 34200 1 961 . 1 1 73 73 ILE C C 13 177.873 0.300 . 1 . . . . A 603 ILE C . 34200 1 962 . 1 1 73 73 ILE CA C 13 66.504 0.300 . 1 . . . . A 603 ILE CA . 34200 1 963 . 1 1 73 73 ILE CB C 13 36.202 0.300 . 1 . . . . A 603 ILE CB . 34200 1 964 . 1 1 73 73 ILE CG1 C 13 29.360 0.300 . 1 . . . . A 603 ILE CG1 . 34200 1 965 . 1 1 73 73 ILE CG2 C 13 15.066 0.300 . 1 . . . . A 603 ILE CG2 . 34200 1 966 . 1 1 73 73 ILE CD1 C 13 13.022 0.300 . 1 . . . . A 603 ILE CD1 . 34200 1 967 . 1 1 73 73 ILE N N 15 117.949 0.300 . 1 . . . . A 603 ILE N . 34200 1 968 . 1 1 74 74 GLU H H 1 7.919 0.020 . 1 . . . . A 604 GLU H . 34200 1 969 . 1 1 74 74 GLU HA H 1 4.063 0.020 . 1 . . . . A 604 GLU HA . 34200 1 970 . 1 1 74 74 GLU HB2 H 1 1.869 0.020 . 2 . . . . A 604 GLU HB2 . 34200 1 971 . 1 1 74 74 GLU HB3 H 1 1.869 0.020 . 2 . . . . A 604 GLU HB3 . 34200 1 972 . 1 1 74 74 GLU HG2 H 1 2.043 0.020 . 1 . . . . A 604 GLU HG2 . 34200 1 973 . 1 1 74 74 GLU HG3 H 1 2.230 0.020 . 1 . . . . A 604 GLU HG3 . 34200 1 974 . 1 1 74 74 GLU C C 13 178.471 0.300 . 1 . . . . A 604 GLU C . 34200 1 975 . 1 1 74 74 GLU CA C 13 58.447 0.300 . 1 . . . . A 604 GLU CA . 34200 1 976 . 1 1 74 74 GLU CB C 13 30.792 0.300 . 1 . . . . A 604 GLU CB . 34200 1 977 . 1 1 74 74 GLU CG C 13 36.415 0.300 . 1 . . . . A 604 GLU CG . 34200 1 978 . 1 1 74 74 GLU N N 15 116.167 0.300 . 1 . . . . A 604 GLU N . 34200 1 979 . 1 1 75 75 LYS H H 1 7.610 0.020 . 1 . . . . A 605 LYS H . 34200 1 980 . 1 1 75 75 LYS HA H 1 4.426 0.020 . 1 . . . . A 605 LYS HA . 34200 1 981 . 1 1 75 75 LYS HB2 H 1 1.755 0.020 . 1 . . . . A 605 LYS HB2 . 34200 1 982 . 1 1 75 75 LYS HB3 H 1 2.043 0.020 . 1 . . . . A 605 LYS HB3 . 34200 1 983 . 1 1 75 75 LYS HG2 H 1 1.446 0.020 . 2 . . . . A 605 LYS HG2 . 34200 1 984 . 1 1 75 75 LYS HG3 H 1 1.446 0.020 . 2 . . . . A 605 LYS HG3 . 34200 1 985 . 1 1 75 75 LYS HD2 H 1 1.570 0.020 . 1 . . . . A 605 LYS HD2 . 34200 1 986 . 1 1 75 75 LYS HD3 H 1 1.735 0.020 . 1 . . . . A 605 LYS HD3 . 34200 1 987 . 1 1 75 75 LYS HE2 H 1 2.995 0.020 . 1 . . . . A 605 LYS HE2 . 34200 1 988 . 1 1 75 75 LYS HE3 H 1 3.138 0.020 . 1 . . . . A 605 LYS HE3 . 34200 1 989 . 1 1 75 75 LYS C C 13 176.839 0.300 . 1 . . . . A 605 LYS C . 34200 1 990 . 1 1 75 75 LYS CA C 13 57.839 0.300 . 1 . . . . A 605 LYS CA . 34200 1 991 . 1 1 75 75 LYS CB C 13 35.891 0.300 . 1 . . . . A 605 LYS CB . 34200 1 992 . 1 1 75 75 LYS CG C 13 25.961 0.300 . 1 . . . . A 605 LYS CG . 34200 1 993 . 1 1 75 75 LYS CD C 13 29.274 0.300 . 1 . . . . A 605 LYS CD . 34200 1 994 . 1 1 75 75 LYS CE C 13 42.402 0.300 . 1 . . . . A 605 LYS CE . 34200 1 995 . 1 1 75 75 LYS N N 15 114.321 0.300 . 1 . . . . A 605 LYS N . 34200 1 996 . 1 1 76 76 GLU H H 1 8.568 0.020 . 1 . . . . A 606 GLU H . 34200 1 997 . 1 1 76 76 GLU HA H 1 4.871 0.020 . 1 . . . . A 606 GLU HA . 34200 1 998 . 1 1 76 76 GLU HB2 H 1 1.740 0.020 . 1 . . . . A 606 GLU HB2 . 34200 1 999 . 1 1 76 76 GLU HB3 H 1 2.253 0.020 . 1 . . . . A 606 GLU HB3 . 34200 1 1000 . 1 1 76 76 GLU HG2 H 1 1.245 0.020 . 1 . . . . A 606 GLU HG2 . 34200 1 1001 . 1 1 76 76 GLU HG3 H 1 1.729 0.020 . 1 . . . . A 606 GLU HG3 . 34200 1 1002 . 1 1 76 76 GLU C C 13 175.677 0.300 . 1 . . . . A 606 GLU C . 34200 1 1003 . 1 1 76 76 GLU CA C 13 53.215 0.300 . 1 . . . . A 606 GLU CA . 34200 1 1004 . 1 1 76 76 GLU CB C 13 31.801 0.300 . 1 . . . . A 606 GLU CB . 34200 1 1005 . 1 1 76 76 GLU CG C 13 34.323 0.300 . 1 . . . . A 606 GLU CG . 34200 1 1006 . 1 1 76 76 GLU N N 15 116.963 0.300 . 1 . . . . A 606 GLU N . 34200 1 1007 . 1 1 77 77 LYS H H 1 9.147 0.020 . 1 . . . . A 607 LYS H . 34200 1 1008 . 1 1 77 77 LYS HA H 1 4.689 0.020 . 1 . . . . A 607 LYS HA . 34200 1 1009 . 1 1 77 77 LYS HB2 H 1 1.901 0.020 . 1 . . . . A 607 LYS HB2 . 34200 1 1010 . 1 1 77 77 LYS HB3 H 1 2.117 0.020 . 1 . . . . A 607 LYS HB3 . 34200 1 1011 . 1 1 77 77 LYS HG2 H 1 1.664 0.020 . 1 . . . . A 607 LYS HG2 . 34200 1 1012 . 1 1 77 77 LYS HG3 H 1 1.749 0.020 . 1 . . . . A 607 LYS HG3 . 34200 1 1013 . 1 1 77 77 LYS HD2 H 1 1.812 0.020 . 1 . . . . A 607 LYS HD2 . 34200 1 1014 . 1 1 77 77 LYS HD3 H 1 1.909 0.020 . 1 . . . . A 607 LYS HD3 . 34200 1 1015 . 1 1 77 77 LYS HE2 H 1 3.094 0.020 . 2 . . . . A 607 LYS HE2 . 34200 1 1016 . 1 1 77 77 LYS HE3 H 1 3.094 0.020 . 2 . . . . A 607 LYS HE3 . 34200 1 1017 . 1 1 77 77 LYS C C 13 176.745 0.300 . 1 . . . . A 607 LYS C . 34200 1 1018 . 1 1 77 77 LYS CA C 13 54.559 0.300 . 1 . . . . A 607 LYS CA . 34200 1 1019 . 1 1 77 77 LYS CB C 13 32.281 0.300 . 1 . . . . A 607 LYS CB . 34200 1 1020 . 1 1 77 77 LYS CG C 13 25.287 0.300 . 1 . . . . A 607 LYS CG . 34200 1 1021 . 1 1 77 77 LYS CD C 13 29.220 0.300 . 1 . . . . A 607 LYS CD . 34200 1 1022 . 1 1 77 77 LYS CE C 13 42.256 0.300 . 1 . . . . A 607 LYS CE . 34200 1 1023 . 1 1 77 77 LYS N N 15 121.895 0.300 . 1 . . . . A 607 LYS N . 34200 1 1024 . 1 1 78 78 PRO HA H 1 4.211 0.020 . 1 . . . . A 608 PRO HA . 34200 1 1025 . 1 1 78 78 PRO HB2 H 1 2.015 0.020 . 1 . . . . A 608 PRO HB2 . 34200 1 1026 . 1 1 78 78 PRO HB3 H 1 2.091 0.020 . 1 . . . . A 608 PRO HB3 . 34200 1 1027 . 1 1 78 78 PRO HG2 H 1 2.126 0.020 . 1 . . . . A 608 PRO HG2 . 34200 1 1028 . 1 1 78 78 PRO HG3 H 1 2.302 0.020 . 1 . . . . A 608 PRO HG3 . 34200 1 1029 . 1 1 78 78 PRO HD2 H 1 4.047 0.020 . 1 . . . . A 608 PRO HD2 . 34200 1 1030 . 1 1 78 78 PRO HD3 H 1 4.140 0.020 . 1 . . . . A 608 PRO HD3 . 34200 1 1031 . 1 1 78 78 PRO C C 13 177.818 0.300 . 1 . . . . A 608 PRO C . 34200 1 1032 . 1 1 78 78 PRO CA C 13 65.751 0.300 . 1 . . . . A 608 PRO CA . 34200 1 1033 . 1 1 78 78 PRO CB C 13 32.033 0.300 . 1 . . . . A 608 PRO CB . 34200 1 1034 . 1 1 78 78 PRO CG C 13 27.915 0.300 . 1 . . . . A 608 PRO CG . 34200 1 1035 . 1 1 78 78 PRO CD C 13 50.621 0.300 . 1 . . . . A 608 PRO CD . 34200 1 1036 . 1 1 79 79 LEU H H 1 8.317 0.020 . 1 . . . . A 609 LEU H . 34200 1 1037 . 1 1 79 79 LEU HA H 1 4.139 0.020 . 1 . . . . A 609 LEU HA . 34200 1 1038 . 1 1 79 79 LEU HB2 H 1 1.677 0.020 . 2 . . . . A 609 LEU HB2 . 34200 1 1039 . 1 1 79 79 LEU HB3 H 1 1.677 0.020 . 2 . . . . A 609 LEU HB3 . 34200 1 1040 . 1 1 79 79 LEU HG H 1 1.791 0.020 . 1 . . . . A 609 LEU HG . 34200 1 1041 . 1 1 79 79 LEU HD11 H 1 .951 0.020 . 2 . . . . A 609 LEU HD11 . 34200 1 1042 . 1 1 79 79 LEU HD12 H 1 .951 0.020 . 2 . . . . A 609 LEU HD12 . 34200 1 1043 . 1 1 79 79 LEU HD13 H 1 .951 0.020 . 2 . . . . A 609 LEU HD13 . 34200 1 1044 . 1 1 79 79 LEU HD21 H 1 1.033 0.020 . 2 . . . . A 609 LEU HD21 . 34200 1 1045 . 1 1 79 79 LEU HD22 H 1 1.033 0.020 . 2 . . . . A 609 LEU HD22 . 34200 1 1046 . 1 1 79 79 LEU HD23 H 1 1.033 0.020 . 2 . . . . A 609 LEU HD23 . 34200 1 1047 . 1 1 79 79 LEU C C 13 178.257 0.300 . 1 . . . . A 609 LEU C . 34200 1 1048 . 1 1 79 79 LEU CA C 13 57.922 0.300 . 1 . . . . A 609 LEU CA . 34200 1 1049 . 1 1 79 79 LEU CB C 13 42.286 0.300 . 1 . . . . A 609 LEU CB . 34200 1 1050 . 1 1 79 79 LEU CG C 13 27.209 0.300 . 1 . . . . A 609 LEU CG . 34200 1 1051 . 1 1 79 79 LEU CD1 C 13 25.294 0.300 . 1 . . . . A 609 LEU CD1 . 34200 1 1052 . 1 1 79 79 LEU CD2 C 13 23.941 0.300 . 1 . . . . A 609 LEU CD2 . 34200 1 1053 . 1 1 79 79 LEU N N 15 115.375 0.300 . 1 . . . . A 609 LEU N . 34200 1 1054 . 1 1 80 80 LEU H H 1 7.316 0.020 . 1 . . . . A 610 LEU H . 34200 1 1055 . 1 1 80 80 LEU HA H 1 4.509 0.020 . 1 . . . . A 610 LEU HA . 34200 1 1056 . 1 1 80 80 LEU HB2 H 1 1.739 0.020 . 1 . . . . A 610 LEU HB2 . 34200 1 1057 . 1 1 80 80 LEU HB3 H 1 2.314 0.020 . 1 . . . . A 610 LEU HB3 . 34200 1 1058 . 1 1 80 80 LEU HG H 1 1.817 0.020 . 1 . . . . A 610 LEU HG . 34200 1 1059 . 1 1 80 80 LEU HD11 H 1 1.173 0.020 . 2 . . . . A 610 LEU HD11 . 34200 1 1060 . 1 1 80 80 LEU HD12 H 1 1.173 0.020 . 2 . . . . A 610 LEU HD12 . 34200 1 1061 . 1 1 80 80 LEU HD13 H 1 1.173 0.020 . 2 . . . . A 610 LEU HD13 . 34200 1 1062 . 1 1 80 80 LEU HD21 H 1 1.175 0.020 . 2 . . . . A 610 LEU HD21 . 34200 1 1063 . 1 1 80 80 LEU HD22 H 1 1.175 0.020 . 2 . . . . A 610 LEU HD22 . 34200 1 1064 . 1 1 80 80 LEU HD23 H 1 1.175 0.020 . 2 . . . . A 610 LEU HD23 . 34200 1 1065 . 1 1 80 80 LEU C C 13 178.065 0.300 . 1 . . . . A 610 LEU C . 34200 1 1066 . 1 1 80 80 LEU CA C 13 57.644 0.300 . 1 . . . . A 610 LEU CA . 34200 1 1067 . 1 1 80 80 LEU CB C 13 41.865 0.300 . 1 . . . . A 610 LEU CB . 34200 1 1068 . 1 1 80 80 LEU CG C 13 27.395 0.300 . 1 . . . . A 610 LEU CG . 34200 1 1069 . 1 1 80 80 LEU CD1 C 13 26.887 0.300 . 1 . . . . A 610 LEU CD1 . 34200 1 1070 . 1 1 80 80 LEU CD2 C 13 22.880 0.300 . 1 . . . . A 610 LEU CD2 . 34200 1 1071 . 1 1 80 80 LEU N N 15 120.249 0.300 . 1 . . . . A 610 LEU N . 34200 1 1072 . 1 1 81 81 ILE H H 1 7.180 0.020 . 1 . . . . A 611 ILE H . 34200 1 1073 . 1 1 81 81 ILE HA H 1 3.422 0.020 . 1 . . . . A 611 ILE HA . 34200 1 1074 . 1 1 81 81 ILE HB H 1 2.200 0.020 . 1 . . . . A 611 ILE HB . 34200 1 1075 . 1 1 81 81 ILE HG12 H 1 .912 0.020 . 1 . . . . A 611 ILE HG12 . 34200 1 1076 . 1 1 81 81 ILE HG13 H 1 2.071 0.020 . 1 . . . . A 611 ILE HG13 . 34200 1 1077 . 1 1 81 81 ILE HG21 H 1 .816 0.020 . 1 . . . . A 611 ILE HG21 . 34200 1 1078 . 1 1 81 81 ILE HG22 H 1 .816 0.020 . 1 . . . . A 611 ILE HG22 . 34200 1 1079 . 1 1 81 81 ILE HG23 H 1 .816 0.020 . 1 . . . . A 611 ILE HG23 . 34200 1 1080 . 1 1 81 81 ILE HD11 H 1 .846 0.020 . 1 . . . . A 611 ILE HD11 . 34200 1 1081 . 1 1 81 81 ILE HD12 H 1 .846 0.020 . 1 . . . . A 611 ILE HD12 . 34200 1 1082 . 1 1 81 81 ILE HD13 H 1 .846 0.020 . 1 . . . . A 611 ILE HD13 . 34200 1 1083 . 1 1 81 81 ILE C C 13 177.048 0.300 . 1 . . . . A 611 ILE C . 34200 1 1084 . 1 1 81 81 ILE CA C 13 66.176 0.300 . 1 . . . . A 611 ILE CA . 34200 1 1085 . 1 1 81 81 ILE CB C 13 38.195 0.300 . 1 . . . . A 611 ILE CB . 34200 1 1086 . 1 1 81 81 ILE CG1 C 13 29.843 0.300 . 1 . . . . A 611 ILE CG1 . 34200 1 1087 . 1 1 81 81 ILE CG2 C 13 18.201 0.300 . 1 . . . . A 611 ILE CG2 . 34200 1 1088 . 1 1 81 81 ILE CD1 C 13 14.086 0.300 . 1 . . . . A 611 ILE CD1 . 34200 1 1089 . 1 1 81 81 ILE N N 15 116.162 0.300 . 1 . . . . A 611 ILE N . 34200 1 1090 . 1 1 82 82 PHE H H 1 8.152 0.020 . 1 . . . . A 612 PHE H . 34200 1 1091 . 1 1 82 82 PHE HA H 1 3.843 0.020 . 1 . . . . A 612 PHE HA . 34200 1 1092 . 1 1 82 82 PHE HB2 H 1 2.934 0.020 . 1 . . . . A 612 PHE HB2 . 34200 1 1093 . 1 1 82 82 PHE HB3 H 1 3.294 0.020 . 1 . . . . A 612 PHE HB3 . 34200 1 1094 . 1 1 82 82 PHE HD1 H 1 7.084 0.020 . 3 . . . . A 612 PHE HD1 . 34200 1 1095 . 1 1 82 82 PHE HD2 H 1 7.084 0.020 . 3 . . . . A 612 PHE HD2 . 34200 1 1096 . 1 1 82 82 PHE HE1 H 1 7.253 0.020 . 3 . . . . A 612 PHE HE1 . 34200 1 1097 . 1 1 82 82 PHE HE2 H 1 7.253 0.020 . 3 . . . . A 612 PHE HE2 . 34200 1 1098 . 1 1 82 82 PHE HZ H 1 7.168 0.020 . 1 . . . . A 612 PHE HZ . 34200 1 1099 . 1 1 82 82 PHE C C 13 175.469 0.300 . 1 . . . . A 612 PHE C . 34200 1 1100 . 1 1 82 82 PHE CA C 13 61.736 0.300 . 1 . . . . A 612 PHE CA . 34200 1 1101 . 1 1 82 82 PHE CB C 13 39.245 0.300 . 1 . . . . A 612 PHE CB . 34200 1 1102 . 1 1 82 82 PHE CD1 C 13 131.345 0.300 . 1 . . . . A 612 PHE CD1 . 34200 1 1103 . 1 1 82 82 PHE CE1 C 13 131.053 0.300 . 1 . . . . A 612 PHE CE1 . 34200 1 1104 . 1 1 82 82 PHE N N 15 117.129 0.300 . 1 . . . . A 612 PHE N . 34200 1 1105 . 1 1 83 83 GLU H H 1 8.578 0.020 . 1 . . . . A 613 GLU H . 34200 1 1106 . 1 1 83 83 GLU HA H 1 3.785 0.020 . 1 . . . . A 613 GLU HA . 34200 1 1107 . 1 1 83 83 GLU HB2 H 1 2.088 0.020 . 1 . . . . A 613 GLU HB2 . 34200 1 1108 . 1 1 83 83 GLU HB3 H 1 2.319 0.020 . 1 . . . . A 613 GLU HB3 . 34200 1 1109 . 1 1 83 83 GLU HG2 H 1 2.100 0.020 . 1 . . . . A 613 GLU HG2 . 34200 1 1110 . 1 1 83 83 GLU HG3 H 1 2.509 0.020 . 1 . . . . A 613 GLU HG3 . 34200 1 1111 . 1 1 83 83 GLU C C 13 179.035 0.300 . 1 . . . . A 613 GLU C . 34200 1 1112 . 1 1 83 83 GLU CA C 13 59.815 0.300 . 1 . . . . A 613 GLU CA . 34200 1 1113 . 1 1 83 83 GLU CB C 13 29.722 0.300 . 1 . . . . A 613 GLU CB . 34200 1 1114 . 1 1 83 83 GLU CG C 13 36.555 0.300 . 1 . . . . A 613 GLU CG . 34200 1 1115 . 1 1 83 83 GLU N N 15 119.177 0.300 . 1 . . . . A 613 GLU N . 34200 1 1116 . 1 1 84 84 ILE H H 1 8.145 0.020 . 1 . . . . A 614 ILE H . 34200 1 1117 . 1 1 84 84 ILE HA H 1 3.275 0.020 . 1 . . . . A 614 ILE HA . 34200 1 1118 . 1 1 84 84 ILE HB H 1 1.806 0.020 . 1 . . . . A 614 ILE HB . 34200 1 1119 . 1 1 84 84 ILE HG12 H 1 .986 0.020 . 1 . . . . A 614 ILE HG12 . 34200 1 1120 . 1 1 84 84 ILE HG13 H 1 1.778 0.020 . 1 . . . . A 614 ILE HG13 . 34200 1 1121 . 1 1 84 84 ILE HG21 H 1 .894 0.020 . 1 . . . . A 614 ILE HG21 . 34200 1 1122 . 1 1 84 84 ILE HG22 H 1 .894 0.020 . 1 . . . . A 614 ILE HG22 . 34200 1 1123 . 1 1 84 84 ILE HG23 H 1 .894 0.020 . 1 . . . . A 614 ILE HG23 . 34200 1 1124 . 1 1 84 84 ILE HD11 H 1 .909 0.020 . 1 . . . . A 614 ILE HD11 . 34200 1 1125 . 1 1 84 84 ILE HD12 H 1 .909 0.020 . 1 . . . . A 614 ILE HD12 . 34200 1 1126 . 1 1 84 84 ILE HD13 H 1 .909 0.020 . 1 . . . . A 614 ILE HD13 . 34200 1 1127 . 1 1 84 84 ILE C C 13 177.521 0.300 . 1 . . . . A 614 ILE C . 34200 1 1128 . 1 1 84 84 ILE CA C 13 66.520 0.300 . 1 . . . . A 614 ILE CA . 34200 1 1129 . 1 1 84 84 ILE CB C 13 37.806 0.300 . 1 . . . . A 614 ILE CB . 34200 1 1130 . 1 1 84 84 ILE CG1 C 13 30.375 0.300 . 1 . . . . A 614 ILE CG1 . 34200 1 1131 . 1 1 84 84 ILE CG2 C 13 17.414 0.300 . 1 . . . . A 614 ILE CG2 . 34200 1 1132 . 1 1 84 84 ILE CD1 C 13 14.695 0.300 . 1 . . . . A 614 ILE CD1 . 34200 1 1133 . 1 1 84 84 ILE N N 15 119.594 0.300 . 1 . . . . A 614 ILE N . 34200 1 1134 . 1 1 85 85 LEU H H 1 8.131 0.020 . 1 . . . . A 615 LEU H . 34200 1 1135 . 1 1 85 85 LEU HA H 1 4.231 0.020 . 1 . . . . A 615 LEU HA . 34200 1 1136 . 1 1 85 85 LEU HB2 H 1 1.115 0.020 . 1 . . . . A 615 LEU HB2 . 34200 1 1137 . 1 1 85 85 LEU HB3 H 1 1.748 0.020 . 1 . . . . A 615 LEU HB3 . 34200 1 1138 . 1 1 85 85 LEU HG H 1 1.709 0.020 . 1 . . . . A 615 LEU HG . 34200 1 1139 . 1 1 85 85 LEU HD11 H 1 .056 0.020 . 2 . . . . A 615 LEU HD11 . 34200 1 1140 . 1 1 85 85 LEU HD12 H 1 .056 0.020 . 2 . . . . A 615 LEU HD12 . 34200 1 1141 . 1 1 85 85 LEU HD13 H 1 .056 0.020 . 2 . . . . A 615 LEU HD13 . 34200 1 1142 . 1 1 85 85 LEU HD21 H 1 .531 0.020 . 2 . . . . A 615 LEU HD21 . 34200 1 1143 . 1 1 85 85 LEU HD22 H 1 .531 0.020 . 2 . . . . A 615 LEU HD22 . 34200 1 1144 . 1 1 85 85 LEU HD23 H 1 .531 0.020 . 2 . . . . A 615 LEU HD23 . 34200 1 1145 . 1 1 85 85 LEU C C 13 181.927 0.300 . 1 . . . . A 615 LEU C . 34200 1 1146 . 1 1 85 85 LEU CA C 13 57.307 0.300 . 1 . . . . A 615 LEU CA . 34200 1 1147 . 1 1 85 85 LEU CB C 13 41.328 0.300 . 1 . . . . A 615 LEU CB . 34200 1 1148 . 1 1 85 85 LEU CG C 13 26.222 0.300 . 1 . . . . A 615 LEU CG . 34200 1 1149 . 1 1 85 85 LEU CD1 C 13 26.077 0.300 . 1 . . . . A 615 LEU CD1 . 34200 1 1150 . 1 1 85 85 LEU CD2 C 13 20.938 0.300 . 1 . . . . A 615 LEU CD2 . 34200 1 1151 . 1 1 85 85 LEU N N 15 117.844 0.300 . 1 . . . . A 615 LEU N . 34200 1 1152 . 1 1 86 86 GLN H H 1 8.897 0.020 . 1 . . . . A 616 GLN H . 34200 1 1153 . 1 1 86 86 GLN HA H 1 3.814 0.020 . 1 . . . . A 616 GLN HA . 34200 1 1154 . 1 1 86 86 GLN HB2 H 1 1.594 0.020 . 1 . . . . A 616 GLN HB2 . 34200 1 1155 . 1 1 86 86 GLN HB3 H 1 1.903 0.020 . 1 . . . . A 616 GLN HB3 . 34200 1 1156 . 1 1 86 86 GLN HG2 H 1 1.926 0.020 . 1 . . . . A 616 GLN HG2 . 34200 1 1157 . 1 1 86 86 GLN HG3 H 1 2.005 0.020 . 1 . . . . A 616 GLN HG3 . 34200 1 1158 . 1 1 86 86 GLN HE21 H 1 7.435 0.020 . 1 . . . . A 616 GLN HE21 . 34200 1 1159 . 1 1 86 86 GLN HE22 H 1 6.657 0.020 . 1 . . . . A 616 GLN HE22 . 34200 1 1160 . 1 1 86 86 GLN C C 13 179.341 0.300 . 1 . . . . A 616 GLN C . 34200 1 1161 . 1 1 86 86 GLN CA C 13 59.055 0.300 . 1 . . . . A 616 GLN CA . 34200 1 1162 . 1 1 86 86 GLN CB C 13 28.274 0.300 . 1 . . . . A 616 GLN CB . 34200 1 1163 . 1 1 86 86 GLN CG C 13 33.840 0.300 . 1 . . . . A 616 GLN CG . 34200 1 1164 . 1 1 86 86 GLN N N 15 122.052 0.300 . 1 . . . . A 616 GLN N . 34200 1 1165 . 1 1 86 86 GLN NE2 N 15 112.285 0.300 . 1 . . . . A 616 GLN NE2 . 34200 1 1166 . 1 1 87 87 ARG H H 1 8.771 0.020 . 1 . . . . A 617 ARG H . 34200 1 1167 . 1 1 87 87 ARG HA H 1 3.939 0.020 . 1 . . . . A 617 ARG HA . 34200 1 1168 . 1 1 87 87 ARG HB2 H 1 1.608 0.020 . 1 . . . . A 617 ARG HB2 . 34200 1 1169 . 1 1 87 87 ARG HB3 H 1 1.979 0.020 . 1 . . . . A 617 ARG HB3 . 34200 1 1170 . 1 1 87 87 ARG HG2 H 1 1.520 0.020 . 1 . . . . A 617 ARG HG2 . 34200 1 1171 . 1 1 87 87 ARG HG3 H 1 1.928 0.020 . 1 . . . . A 617 ARG HG3 . 34200 1 1172 . 1 1 87 87 ARG HD2 H 1 2.973 0.020 . 1 . . . . A 617 ARG HD2 . 34200 1 1173 . 1 1 87 87 ARG HD3 H 1 3.092 0.020 . 1 . . . . A 617 ARG HD3 . 34200 1 1174 . 1 1 87 87 ARG HE H 1 7.639 0.020 . 1 . . . . A 617 ARG HE . 34200 1 1175 . 1 1 87 87 ARG C C 13 180.878 0.300 . 1 . . . . A 617 ARG C . 34200 1 1176 . 1 1 87 87 ARG CA C 13 58.628 0.300 . 1 . . . . A 617 ARG CA . 34200 1 1177 . 1 1 87 87 ARG CB C 13 31.066 0.300 . 1 . . . . A 617 ARG CB . 34200 1 1178 . 1 1 87 87 ARG CG C 13 26.047 0.300 . 1 . . . . A 617 ARG CG . 34200 1 1179 . 1 1 87 87 ARG CD C 13 43.474 0.300 . 1 . . . . A 617 ARG CD . 34200 1 1180 . 1 1 87 87 ARG N N 15 120.903 0.300 . 1 . . . . A 617 ARG N . 34200 1 1181 . 1 1 87 87 ARG NE N 15 85.314 0.300 . 1 . . . . A 617 ARG NE . 34200 1 1182 . 1 1 88 88 LEU H H 1 8.661 0.020 . 1 . . . . A 618 LEU H . 34200 1 1183 . 1 1 88 88 LEU HA H 1 3.973 0.020 . 1 . . . . A 618 LEU HA . 34200 1 1184 . 1 1 88 88 LEU HB2 H 1 1.437 0.020 . 1 . . . . A 618 LEU HB2 . 34200 1 1185 . 1 1 88 88 LEU HB3 H 1 2.207 0.020 . 1 . . . . A 618 LEU HB3 . 34200 1 1186 . 1 1 88 88 LEU HG H 1 2.166 0.020 . 1 . . . . A 618 LEU HG . 34200 1 1187 . 1 1 88 88 LEU HD11 H 1 .853 0.020 . 2 . . . . A 618 LEU HD11 . 34200 1 1188 . 1 1 88 88 LEU HD12 H 1 .853 0.020 . 2 . . . . A 618 LEU HD12 . 34200 1 1189 . 1 1 88 88 LEU HD13 H 1 .853 0.020 . 2 . . . . A 618 LEU HD13 . 34200 1 1190 . 1 1 88 88 LEU HD21 H 1 1.062 0.020 . 2 . . . . A 618 LEU HD21 . 34200 1 1191 . 1 1 88 88 LEU HD22 H 1 1.062 0.020 . 2 . . . . A 618 LEU HD22 . 34200 1 1192 . 1 1 88 88 LEU HD23 H 1 1.062 0.020 . 2 . . . . A 618 LEU HD23 . 34200 1 1193 . 1 1 88 88 LEU C C 13 177.340 0.300 . 1 . . . . A 618 LEU C . 34200 1 1194 . 1 1 88 88 LEU CA C 13 58.128 0.300 . 1 . . . . A 618 LEU CA . 34200 1 1195 . 1 1 88 88 LEU CB C 13 41.909 0.300 . 1 . . . . A 618 LEU CB . 34200 1 1196 . 1 1 88 88 LEU CG C 13 26.857 0.300 . 1 . . . . A 618 LEU CG . 34200 1 1197 . 1 1 88 88 LEU CD1 C 13 23.203 0.300 . 1 . . . . A 618 LEU CD1 . 34200 1 1198 . 1 1 88 88 LEU CD2 C 13 25.640 0.300 . 1 . . . . A 618 LEU CD2 . 34200 1 1199 . 1 1 88 88 LEU N N 15 118.023 0.300 . 1 . . . . A 618 LEU N . 34200 1 1200 . 1 1 89 89 SER H H 1 6.728 0.020 . 1 . . . . A 619 SER H . 34200 1 1201 . 1 1 89 89 SER HA H 1 1.474 0.020 . 1 . . . . A 619 SER HA . 34200 1 1202 . 1 1 89 89 SER HB2 H 1 3.085 0.020 . 1 . . . . A 619 SER HB2 . 34200 1 1203 . 1 1 89 89 SER HB3 H 1 3.349 0.020 . 1 . . . . A 619 SER HB3 . 34200 1 1204 . 1 1 89 89 SER HG H 1 6.083 0.020 . 1 . . . . A 619 SER HG . 34200 1 1205 . 1 1 89 89 SER C C 13 174.248 0.300 . 1 . . . . A 619 SER C . 34200 1 1206 . 1 1 89 89 SER CA C 13 58.859 0.300 . 1 . . . . A 619 SER CA . 34200 1 1207 . 1 1 89 89 SER CB C 13 63.259 0.300 . 1 . . . . A 619 SER CB . 34200 1 1208 . 1 1 89 89 SER N N 15 110.103 0.300 . 1 . . . . A 619 SER N . 34200 1 1209 . 1 1 90 90 GLU H H 1 6.946 0.020 . 1 . . . . A 620 GLU H . 34200 1 1210 . 1 1 90 90 GLU HA H 1 4.252 0.020 . 1 . . . . A 620 GLU HA . 34200 1 1211 . 1 1 90 90 GLU HB2 H 1 1.975 0.020 . 1 . . . . A 620 GLU HB2 . 34200 1 1212 . 1 1 90 90 GLU HB3 H 1 2.202 0.020 . 1 . . . . A 620 GLU HB3 . 34200 1 1213 . 1 1 90 90 GLU HG2 H 1 2.148 0.020 . 1 . . . . A 620 GLU HG2 . 34200 1 1214 . 1 1 90 90 GLU HG3 H 1 2.395 0.020 . 1 . . . . A 620 GLU HG3 . 34200 1 1215 . 1 1 90 90 GLU C C 13 177.052 0.300 . 1 . . . . A 620 GLU C . 34200 1 1216 . 1 1 90 90 GLU CA C 13 55.610 0.300 . 1 . . . . A 620 GLU CA . 34200 1 1217 . 1 1 90 90 GLU CB C 13 30.043 0.300 . 1 . . . . A 620 GLU CB . 34200 1 1218 . 1 1 90 90 GLU CG C 13 36.087 0.300 . 1 . . . . A 620 GLU CG . 34200 1 1219 . 1 1 90 90 GLU N N 15 120.543 0.300 . 1 . . . . A 620 GLU N . 34200 1 1220 . 1 1 91 91 LEU H H 1 7.351 0.020 . 1 . . . . A 621 LEU H . 34200 1 1221 . 1 1 91 91 LEU HA H 1 4.430 0.020 . 1 . . . . A 621 LEU HA . 34200 1 1222 . 1 1 91 91 LEU HB2 H 1 1.571 0.020 . 1 . . . . A 621 LEU HB2 . 34200 1 1223 . 1 1 91 91 LEU HB3 H 1 1.936 0.020 . 1 . . . . A 621 LEU HB3 . 34200 1 1224 . 1 1 91 91 LEU HG H 1 2.303 0.020 . 1 . . . . A 621 LEU HG . 34200 1 1225 . 1 1 91 91 LEU HD11 H 1 .951 0.020 . 2 . . . . A 621 LEU HD11 . 34200 1 1226 . 1 1 91 91 LEU HD12 H 1 .951 0.020 . 2 . . . . A 621 LEU HD12 . 34200 1 1227 . 1 1 91 91 LEU HD13 H 1 .951 0.020 . 2 . . . . A 621 LEU HD13 . 34200 1 1228 . 1 1 91 91 LEU HD21 H 1 .853 0.020 . 2 . . . . A 621 LEU HD21 . 34200 1 1229 . 1 1 91 91 LEU HD22 H 1 .853 0.020 . 2 . . . . A 621 LEU HD22 . 34200 1 1230 . 1 1 91 91 LEU HD23 H 1 .853 0.020 . 2 . . . . A 621 LEU HD23 . 34200 1 1231 . 1 1 91 91 LEU C C 13 178.119 0.300 . 1 . . . . A 621 LEU C . 34200 1 1232 . 1 1 91 91 LEU CA C 13 54.307 0.300 . 1 . . . . A 621 LEU CA . 34200 1 1233 . 1 1 91 91 LEU CB C 13 42.251 0.300 . 1 . . . . A 621 LEU CB . 34200 1 1234 . 1 1 91 91 LEU CG C 13 26.002 0.300 . 1 . . . . A 621 LEU CG . 34200 1 1235 . 1 1 91 91 LEU CD1 C 13 22.371 0.300 . 1 . . . . A 621 LEU CD1 . 34200 1 1236 . 1 1 91 91 LEU CD2 C 13 28.559 0.300 . 1 . . . . A 621 LEU CD2 . 34200 1 1237 . 1 1 91 91 LEU N N 15 120.409 0.300 . 1 . . . . A 621 LEU N . 34200 1 1238 . 1 1 92 92 LYS H H 1 9.041 0.020 . 1 . . . . A 622 LYS H . 34200 1 1239 . 1 1 92 92 LYS HA H 1 4.104 0.020 . 1 . . . . A 622 LYS HA . 34200 1 1240 . 1 1 92 92 LYS HB2 H 1 1.847 0.020 . 2 . . . . A 622 LYS HB2 . 34200 1 1241 . 1 1 92 92 LYS HB3 H 1 1.847 0.020 . 2 . . . . A 622 LYS HB3 . 34200 1 1242 . 1 1 92 92 LYS HG2 H 1 1.573 0.020 . 1 . . . . A 622 LYS HG2 . 34200 1 1243 . 1 1 92 92 LYS HG3 H 1 1.657 0.020 . 1 . . . . A 622 LYS HG3 . 34200 1 1244 . 1 1 92 92 LYS HD2 H 1 1.786 0.020 . 2 . . . . A 622 LYS HD2 . 34200 1 1245 . 1 1 92 92 LYS HD3 H 1 1.786 0.020 . 2 . . . . A 622 LYS HD3 . 34200 1 1246 . 1 1 92 92 LYS HE2 H 1 3.099 0.020 . 2 . . . . A 622 LYS HE2 . 34200 1 1247 . 1 1 92 92 LYS HE3 H 1 3.099 0.020 . 2 . . . . A 622 LYS HE3 . 34200 1 1248 . 1 1 92 92 LYS C C 13 177.329 0.300 . 1 . . . . A 622 LYS C . 34200 1 1249 . 1 1 92 92 LYS CA C 13 58.393 0.300 . 1 . . . . A 622 LYS CA . 34200 1 1250 . 1 1 92 92 LYS CB C 13 32.482 0.300 . 1 . . . . A 622 LYS CB . 34200 1 1251 . 1 1 92 92 LYS CG C 13 25.332 0.300 . 1 . . . . A 622 LYS CG . 34200 1 1252 . 1 1 92 92 LYS CD C 13 29.182 0.300 . 1 . . . . A 622 LYS CD . 34200 1 1253 . 1 1 92 92 LYS CE C 13 42.266 0.300 . 1 . . . . A 622 LYS CE . 34200 1 1254 . 1 1 92 92 LYS N N 15 123.850 0.300 . 1 . . . . A 622 LYS N . 34200 1 1255 . 1 1 93 93 ARG H H 1 8.789 0.020 . 1 . . . . A 623 ARG H . 34200 1 1256 . 1 1 93 93 ARG HA H 1 4.225 0.020 . 1 . . . . A 623 ARG HA . 34200 1 1257 . 1 1 93 93 ARG HB2 H 1 1.715 0.020 . 2 . . . . A 623 ARG HB2 . 34200 1 1258 . 1 1 93 93 ARG HB3 H 1 1.715 0.020 . 2 . . . . A 623 ARG HB3 . 34200 1 1259 . 1 1 93 93 ARG HD2 H 1 3.238 0.020 . 2 . . . . A 623 ARG HD2 . 34200 1 1260 . 1 1 93 93 ARG HD3 H 1 3.238 0.020 . 2 . . . . A 623 ARG HD3 . 34200 1 1261 . 1 1 93 93 ARG HE H 1 7.499 0.020 . 1 . . . . A 623 ARG HE . 34200 1 1262 . 1 1 93 93 ARG C C 13 177.323 0.300 . 1 . . . . A 623 ARG C . 34200 1 1263 . 1 1 93 93 ARG CA C 13 57.080 0.300 . 1 . . . . A 623 ARG CA . 34200 1 1264 . 1 1 93 93 ARG CB C 13 28.486 0.300 . 1 . . . . A 623 ARG CB . 34200 1 1265 . 1 1 93 93 ARG N N 15 114.685 0.300 . 1 . . . . A 623 ARG N . 34200 1 1266 . 1 1 93 93 ARG NE N 15 84.870 0.300 . 1 . . . . A 623 ARG NE . 34200 1 1267 . 1 1 94 94 PHE H H 1 7.855 0.020 . 1 . . . . A 624 PHE H . 34200 1 1268 . 1 1 94 94 PHE HA H 1 3.714 0.020 . 1 . . . . A 624 PHE HA . 34200 1 1269 . 1 1 94 94 PHE HB2 H 1 2.764 0.020 . 1 . . . . A 624 PHE HB2 . 34200 1 1270 . 1 1 94 94 PHE HB3 H 1 3.275 0.020 . 1 . . . . A 624 PHE HB3 . 34200 1 1271 . 1 1 94 94 PHE HD1 H 1 6.647 0.020 . 3 . . . . A 624 PHE HD1 . 34200 1 1272 . 1 1 94 94 PHE HD2 H 1 6.647 0.020 . 3 . . . . A 624 PHE HD2 . 34200 1 1273 . 1 1 94 94 PHE HE1 H 1 6.789 0.020 . 3 . . . . A 624 PHE HE1 . 34200 1 1274 . 1 1 94 94 PHE HE2 H 1 6.789 0.020 . 3 . . . . A 624 PHE HE2 . 34200 1 1275 . 1 1 94 94 PHE HZ H 1 5.379 0.020 . 1 . . . . A 624 PHE HZ . 34200 1 1276 . 1 1 94 94 PHE C C 13 175.431 0.300 . 1 . . . . A 624 PHE C . 34200 1 1277 . 1 1 94 94 PHE CA C 13 61.585 0.300 . 1 . . . . A 624 PHE CA . 34200 1 1278 . 1 1 94 94 PHE CB C 13 39.507 0.300 . 1 . . . . A 624 PHE CB . 34200 1 1279 . 1 1 94 94 PHE CZ C 13 129.270 0.300 . 1 . . . . A 624 PHE CZ . 34200 1 1280 . 1 1 94 94 PHE N N 15 123.194 0.300 . 1 . . . . A 624 PHE N . 34200 1 1281 . 1 1 95 95 ASP H H 1 8.704 0.020 . 1 . . . . A 625 ASP H . 34200 1 1282 . 1 1 95 95 ASP HA H 1 3.790 0.020 . 1 . . . . A 625 ASP HA . 34200 1 1283 . 1 1 95 95 ASP HB2 H 1 2.543 0.020 . 1 . . . . A 625 ASP HB2 . 34200 1 1284 . 1 1 95 95 ASP HB3 H 1 2.702 0.020 . 1 . . . . A 625 ASP HB3 . 34200 1 1285 . 1 1 95 95 ASP C C 13 178.772 0.300 . 1 . . . . A 625 ASP C . 34200 1 1286 . 1 1 95 95 ASP CA C 13 56.930 0.300 . 1 . . . . A 625 ASP CA . 34200 1 1287 . 1 1 95 95 ASP CB C 13 39.040 0.300 . 1 . . . . A 625 ASP CB . 34200 1 1288 . 1 1 95 95 ASP N N 15 116.646 0.300 . 1 . . . . A 625 ASP N . 34200 1 1289 . 1 1 96 96 MET H H 1 7.436 0.020 . 1 . . . . A 626 MET H . 34200 1 1290 . 1 1 96 96 MET HA H 1 4.058 0.020 . 1 . . . . A 626 MET HA . 34200 1 1291 . 1 1 96 96 MET HB2 H 1 2.430 0.020 . 1 . . . . A 626 MET HB2 . 34200 1 1292 . 1 1 96 96 MET HB3 H 1 2.567 0.020 . 1 . . . . A 626 MET HB3 . 34200 1 1293 . 1 1 96 96 MET HG2 H 1 1.970 0.020 . 2 . . . . A 626 MET HG2 . 34200 1 1294 . 1 1 96 96 MET HG3 H 1 1.970 0.020 . 2 . . . . A 626 MET HG3 . 34200 1 1295 . 1 1 96 96 MET HE1 H 1 1.946 0.020 . 1 . . . . A 626 MET HE1 . 34200 1 1296 . 1 1 96 96 MET HE2 H 1 1.946 0.020 . 1 . . . . A 626 MET HE2 . 34200 1 1297 . 1 1 96 96 MET HE3 H 1 1.946 0.020 . 1 . . . . A 626 MET HE3 . 34200 1 1298 . 1 1 96 96 MET C C 13 176.785 0.300 . 1 . . . . A 626 MET C . 34200 1 1299 . 1 1 96 96 MET CA C 13 57.380 0.300 . 1 . . . . A 626 MET CA . 34200 1 1300 . 1 1 96 96 MET CB C 13 32.224 0.300 . 1 . . . . A 626 MET CB . 34200 1 1301 . 1 1 96 96 MET CG C 13 32.323 0.300 . 1 . . . . A 626 MET CG . 34200 1 1302 . 1 1 96 96 MET CE C 13 16.990 0.300 . 1 . . . . A 626 MET CE . 34200 1 1303 . 1 1 96 96 MET N N 15 119.569 0.300 . 1 . . . . A 626 MET N . 34200 1 1304 . 1 1 97 97 ALA H H 1 7.185 0.020 . 1 . . . . A 627 ALA H . 34200 1 1305 . 1 1 97 97 ALA HA H 1 3.832 0.020 . 1 . . . . A 627 ALA HA . 34200 1 1306 . 1 1 97 97 ALA HB1 H 1 .805 0.020 . 1 . . . . A 627 ALA HB1 . 34200 1 1307 . 1 1 97 97 ALA HB2 H 1 .805 0.020 . 1 . . . . A 627 ALA HB2 . 34200 1 1308 . 1 1 97 97 ALA HB3 H 1 .805 0.020 . 1 . . . . A 627 ALA HB3 . 34200 1 1309 . 1 1 97 97 ALA C C 13 179.936 0.300 . 1 . . . . A 627 ALA C . 34200 1 1310 . 1 1 97 97 ALA CA C 13 55.249 0.300 . 1 . . . . A 627 ALA CA . 34200 1 1311 . 1 1 97 97 ALA CB C 13 16.222 0.300 . 1 . . . . A 627 ALA CB . 34200 1 1312 . 1 1 97 97 ALA N N 15 122.377 0.300 . 1 . . . . A 627 ALA N . 34200 1 1313 . 1 1 98 98 VAL H H 1 7.405 0.020 . 1 . . . . A 628 VAL H . 34200 1 1314 . 1 1 98 98 VAL HA H 1 3.495 0.020 . 1 . . . . A 628 VAL HA . 34200 1 1315 . 1 1 98 98 VAL HB H 1 1.481 0.020 . 1 . . . . A 628 VAL HB . 34200 1 1316 . 1 1 98 98 VAL HG11 H 1 .062 0.020 . 2 . . . . A 628 VAL HG11 . 34200 1 1317 . 1 1 98 98 VAL HG12 H 1 .062 0.020 . 2 . . . . A 628 VAL HG12 . 34200 1 1318 . 1 1 98 98 VAL HG13 H 1 .062 0.020 . 2 . . . . A 628 VAL HG13 . 34200 1 1319 . 1 1 98 98 VAL HG21 H 1 .619 0.020 . 2 . . . . A 628 VAL HG21 . 34200 1 1320 . 1 1 98 98 VAL HG22 H 1 .619 0.020 . 2 . . . . A 628 VAL HG22 . 34200 1 1321 . 1 1 98 98 VAL HG23 H 1 .619 0.020 . 2 . . . . A 628 VAL HG23 . 34200 1 1322 . 1 1 98 98 VAL C C 13 179.154 0.300 . 1 . . . . A 628 VAL C . 34200 1 1323 . 1 1 98 98 VAL CA C 13 65.523 0.300 . 1 . . . . A 628 VAL CA . 34200 1 1324 . 1 1 98 98 VAL CB C 13 31.811 0.300 . 1 . . . . A 628 VAL CB . 34200 1 1325 . 1 1 98 98 VAL CG1 C 13 22.852 0.300 . 1 . . . . A 628 VAL CG1 . 34200 1 1326 . 1 1 98 98 VAL CG2 C 13 20.627 0.300 . 1 . . . . A 628 VAL CG2 . 34200 1 1327 . 1 1 98 98 VAL N N 15 116.402 0.300 . 1 . . . . A 628 VAL N . 34200 1 1328 . 1 1 99 99 MET H H 1 7.452 0.020 . 1 . . . . A 629 MET H . 34200 1 1329 . 1 1 99 99 MET HA H 1 4.017 0.020 . 1 . . . . A 629 MET HA . 34200 1 1330 . 1 1 99 99 MET HB2 H 1 1.872 0.020 . 1 . . . . A 629 MET HB2 . 34200 1 1331 . 1 1 99 99 MET HB3 H 1 2.005 0.020 . 1 . . . . A 629 MET HB3 . 34200 1 1332 . 1 1 99 99 MET HG2 H 1 2.284 0.020 . 1 . . . . A 629 MET HG2 . 34200 1 1333 . 1 1 99 99 MET HG3 H 1 2.372 0.020 . 1 . . . . A 629 MET HG3 . 34200 1 1334 . 1 1 99 99 MET HE1 H 1 2.053 0.020 . 1 . . . . A 629 MET HE1 . 34200 1 1335 . 1 1 99 99 MET HE2 H 1 2.053 0.020 . 1 . . . . A 629 MET HE2 . 34200 1 1336 . 1 1 99 99 MET HE3 H 1 2.053 0.020 . 1 . . . . A 629 MET HE3 . 34200 1 1337 . 1 1 99 99 MET C C 13 177.317 0.300 . 1 . . . . A 629 MET C . 34200 1 1338 . 1 1 99 99 MET CA C 13 58.074 0.300 . 1 . . . . A 629 MET CA . 34200 1 1339 . 1 1 99 99 MET CB C 13 32.330 0.300 . 1 . . . . A 629 MET CB . 34200 1 1340 . 1 1 99 99 MET CG C 13 31.691 0.300 . 1 . . . . A 629 MET CG . 34200 1 1341 . 1 1 99 99 MET CE C 13 17.377 0.300 . 1 . . . . A 629 MET CE . 34200 1 1342 . 1 1 99 99 MET N N 15 118.935 0.300 . 1 . . . . A 629 MET N . 34200 1 1343 . 1 1 100 100 PHE H H 1 7.451 0.020 . 1 . . . . A 630 PHE H . 34200 1 1344 . 1 1 100 100 PHE HA H 1 4.653 0.020 . 1 . . . . A 630 PHE HA . 34200 1 1345 . 1 1 100 100 PHE HB2 H 1 2.901 0.020 . 1 . . . . A 630 PHE HB2 . 34200 1 1346 . 1 1 100 100 PHE HB3 H 1 3.528 0.020 . 1 . . . . A 630 PHE HB3 . 34200 1 1347 . 1 1 100 100 PHE HD1 H 1 7.333 0.020 . 3 . . . . A 630 PHE HD1 . 34200 1 1348 . 1 1 100 100 PHE HD2 H 1 7.333 0.020 . 3 . . . . A 630 PHE HD2 . 34200 1 1349 . 1 1 100 100 PHE C C 13 176.052 0.300 . 1 . . . . A 630 PHE C . 34200 1 1350 . 1 1 100 100 PHE CA C 13 57.377 0.300 . 1 . . . . A 630 PHE CA . 34200 1 1351 . 1 1 100 100 PHE CB C 13 39.035 0.300 . 1 . . . . A 630 PHE CB . 34200 1 1352 . 1 1 100 100 PHE CD1 C 13 131.299 0.300 . 1 . . . . A 630 PHE CD1 . 34200 1 1353 . 1 1 100 100 PHE N N 15 115.809 0.300 . 1 . . . . A 630 PHE N . 34200 1 1354 . 1 1 101 101 MET H H 1 7.458 0.020 . 1 . . . . A 631 MET H . 34200 1 1355 . 1 1 101 101 MET HA H 1 4.388 0.020 . 1 . . . . A 631 MET HA . 34200 1 1356 . 1 1 101 101 MET HB2 H 1 2.235 0.020 . 1 . . . . A 631 MET HB2 . 34200 1 1357 . 1 1 101 101 MET HB3 H 1 2.331 0.020 . 1 . . . . A 631 MET HB3 . 34200 1 1358 . 1 1 101 101 MET HG2 H 1 2.753 0.020 . 1 . . . . A 631 MET HG2 . 34200 1 1359 . 1 1 101 101 MET HG3 H 1 3.403 0.020 . 1 . . . . A 631 MET HG3 . 34200 1 1360 . 1 1 101 101 MET HE1 H 1 2.281 0.020 . 1 . . . . A 631 MET HE1 . 34200 1 1361 . 1 1 101 101 MET HE2 H 1 2.281 0.020 . 1 . . . . A 631 MET HE2 . 34200 1 1362 . 1 1 101 101 MET HE3 H 1 2.281 0.020 . 1 . . . . A 631 MET HE3 . 34200 1 1363 . 1 1 101 101 MET C C 13 176.541 0.300 . 1 . . . . A 631 MET C . 34200 1 1364 . 1 1 101 101 MET CA C 13 58.526 0.300 . 1 . . . . A 631 MET CA . 34200 1 1365 . 1 1 101 101 MET CB C 13 36.047 0.300 . 1 . . . . A 631 MET CB . 34200 1 1366 . 1 1 101 101 MET CG C 13 32.544 0.300 . 1 . . . . A 631 MET CG . 34200 1 1367 . 1 1 101 101 MET CE C 13 17.167 0.300 . 1 . . . . A 631 MET CE . 34200 1 1368 . 1 1 101 101 MET N N 15 121.062 0.300 . 1 . . . . A 631 MET N . 34200 1 1369 . 1 1 102 102 SER H H 1 9.539 0.020 . 1 . . . . A 632 SER H . 34200 1 1370 . 1 1 102 102 SER HA H 1 4.768 0.020 . 1 . . . . A 632 SER HA . 34200 1 1371 . 1 1 102 102 SER HB2 H 1 4.150 0.020 . 1 . . . . A 632 SER HB2 . 34200 1 1372 . 1 1 102 102 SER HB3 H 1 4.471 0.020 . 1 . . . . A 632 SER HB3 . 34200 1 1373 . 1 1 102 102 SER C C 13 175.172 0.300 . 1 . . . . A 632 SER C . 34200 1 1374 . 1 1 102 102 SER CA C 13 56.981 0.300 . 1 . . . . A 632 SER CA . 34200 1 1375 . 1 1 102 102 SER CB C 13 65.955 0.300 . 1 . . . . A 632 SER CB . 34200 1 1376 . 1 1 102 102 SER N N 15 121.058 0.300 . 1 . . . . A 632 SER N . 34200 1 1377 . 1 1 103 103 GLU H H 1 9.134 0.020 . 1 . . . . A 633 GLU H . 34200 1 1378 . 1 1 103 103 GLU HA H 1 4.107 0.020 . 1 . . . . A 633 GLU HA . 34200 1 1379 . 1 1 103 103 GLU HB2 H 1 2.131 0.020 . 1 . . . . A 633 GLU HB2 . 34200 1 1380 . 1 1 103 103 GLU HB3 H 1 2.172 0.020 . 1 . . . . A 633 GLU HB3 . 34200 1 1381 . 1 1 103 103 GLU HG2 H 1 2.417 0.020 . 2 . . . . A 633 GLU HG2 . 34200 1 1382 . 1 1 103 103 GLU HG3 H 1 2.417 0.020 . 2 . . . . A 633 GLU HG3 . 34200 1 1383 . 1 1 103 103 GLU C C 13 179.003 0.300 . 1 . . . . A 633 GLU C . 34200 1 1384 . 1 1 103 103 GLU CA C 13 60.037 0.300 . 1 . . . . A 633 GLU CA . 34200 1 1385 . 1 1 103 103 GLU CB C 13 29.232 0.300 . 1 . . . . A 633 GLU CB . 34200 1 1386 . 1 1 103 103 GLU CG C 13 36.073 0.300 . 1 . . . . A 633 GLU CG . 34200 1 1387 . 1 1 103 103 GLU N N 15 120.578 0.300 . 1 . . . . A 633 GLU N . 34200 1 1388 . 1 1 104 104 THR H H 1 8.130 0.020 . 1 . . . . A 634 THR H . 34200 1 1389 . 1 1 104 104 THR HA H 1 3.880 0.020 . 1 . . . . A 634 THR HA . 34200 1 1390 . 1 1 104 104 THR HB H 1 4.012 0.020 . 1 . . . . A 634 THR HB . 34200 1 1391 . 1 1 104 104 THR HG21 H 1 1.199 0.020 . 1 . . . . A 634 THR HG21 . 34200 1 1392 . 1 1 104 104 THR HG22 H 1 1.199 0.020 . 1 . . . . A 634 THR HG22 . 34200 1 1393 . 1 1 104 104 THR HG23 H 1 1.199 0.020 . 1 . . . . A 634 THR HG23 . 34200 1 1394 . 1 1 104 104 THR C C 13 176.363 0.300 . 1 . . . . A 634 THR C . 34200 1 1395 . 1 1 104 104 THR CA C 13 66.696 0.300 . 1 . . . . A 634 THR CA . 34200 1 1396 . 1 1 104 104 THR CB C 13 68.582 0.300 . 1 . . . . A 634 THR CB . 34200 1 1397 . 1 1 104 104 THR CG2 C 13 21.908 0.300 . 1 . . . . A 634 THR CG2 . 34200 1 1398 . 1 1 104 104 THR N N 15 115.057 0.300 . 1 . . . . A 634 THR N . 34200 1 1399 . 1 1 105 105 GLU H H 1 7.464 0.020 . 1 . . . . A 635 GLU H . 34200 1 1400 . 1 1 105 105 GLU HA H 1 3.905 0.020 . 1 . . . . A 635 GLU HA . 34200 1 1401 . 1 1 105 105 GLU HB2 H 1 2.114 0.020 . 1 . . . . A 635 GLU HB2 . 34200 1 1402 . 1 1 105 105 GLU HB3 H 1 2.389 0.020 . 1 . . . . A 635 GLU HB3 . 34200 1 1403 . 1 1 105 105 GLU HG2 H 1 2.069 0.020 . 1 . . . . A 635 GLU HG2 . 34200 1 1404 . 1 1 105 105 GLU HG3 H 1 2.569 0.020 . 1 . . . . A 635 GLU HG3 . 34200 1 1405 . 1 1 105 105 GLU C C 13 179.074 0.300 . 1 . . . . A 635 GLU C . 34200 1 1406 . 1 1 105 105 GLU CA C 13 60.650 0.300 . 1 . . . . A 635 GLU CA . 34200 1 1407 . 1 1 105 105 GLU CB C 13 28.958 0.300 . 1 . . . . A 635 GLU CB . 34200 1 1408 . 1 1 105 105 GLU CG C 13 37.721 0.300 . 1 . . . . A 635 GLU CG . 34200 1 1409 . 1 1 105 105 GLU N N 15 121.781 0.300 . 1 . . . . A 635 GLU N . 34200 1 1410 . 1 1 106 106 LYS H H 1 8.704 0.020 . 1 . . . . A 636 LYS H . 34200 1 1411 . 1 1 106 106 LYS HA H 1 4.109 0.020 . 1 . . . . A 636 LYS HA . 34200 1 1412 . 1 1 106 106 LYS HB2 H 1 1.944 0.020 . 2 . . . . A 636 LYS HB2 . 34200 1 1413 . 1 1 106 106 LYS HB3 H 1 1.944 0.020 . 2 . . . . A 636 LYS HB3 . 34200 1 1414 . 1 1 106 106 LYS HG2 H 1 1.564 0.020 . 1 . . . . A 636 LYS HG2 . 34200 1 1415 . 1 1 106 106 LYS HG3 H 1 1.692 0.020 . 1 . . . . A 636 LYS HG3 . 34200 1 1416 . 1 1 106 106 LYS HD2 H 1 1.717 0.020 . 2 . . . . A 636 LYS HD2 . 34200 1 1417 . 1 1 106 106 LYS HD3 H 1 1.717 0.020 . 2 . . . . A 636 LYS HD3 . 34200 1 1418 . 1 1 106 106 LYS HE2 H 1 2.979 0.020 . 2 . . . . A 636 LYS HE2 . 34200 1 1419 . 1 1 106 106 LYS HE3 H 1 2.979 0.020 . 2 . . . . A 636 LYS HE3 . 34200 1 1420 . 1 1 106 106 LYS C C 13 179.198 0.300 . 1 . . . . A 636 LYS C . 34200 1 1421 . 1 1 106 106 LYS CA C 13 60.191 0.300 . 1 . . . . A 636 LYS CA . 34200 1 1422 . 1 1 106 106 LYS CB C 13 32.639 0.300 . 1 . . . . A 636 LYS CB . 34200 1 1423 . 1 1 106 106 LYS CG C 13 26.493 0.300 . 1 . . . . A 636 LYS CG . 34200 1 1424 . 1 1 106 106 LYS CD C 13 29.728 0.300 . 1 . . . . A 636 LYS CD . 34200 1 1425 . 1 1 106 106 LYS CE C 13 42.182 0.300 . 1 . . . . A 636 LYS CE . 34200 1 1426 . 1 1 106 106 LYS N N 15 120.261 0.300 . 1 . . . . A 636 LYS N . 34200 1 1427 . 1 1 107 107 LYS H H 1 7.972 0.020 . 1 . . . . A 637 LYS H . 34200 1 1428 . 1 1 107 107 LYS HA H 1 3.984 0.020 . 1 . . . . A 637 LYS HA . 34200 1 1429 . 1 1 107 107 LYS HB2 H 1 1.981 0.020 . 2 . . . . A 637 LYS HB2 . 34200 1 1430 . 1 1 107 107 LYS HB3 H 1 1.981 0.020 . 2 . . . . A 637 LYS HB3 . 34200 1 1431 . 1 1 107 107 LYS HG2 H 1 1.435 0.020 . 1 . . . . A 637 LYS HG2 . 34200 1 1432 . 1 1 107 107 LYS HG3 H 1 1.711 0.020 . 1 . . . . A 637 LYS HG3 . 34200 1 1433 . 1 1 107 107 LYS HD2 H 1 1.720 0.020 . 2 . . . . A 637 LYS HD2 . 34200 1 1434 . 1 1 107 107 LYS HD3 H 1 1.720 0.020 . 2 . . . . A 637 LYS HD3 . 34200 1 1435 . 1 1 107 107 LYS HE2 H 1 2.985 0.020 . 2 . . . . A 637 LYS HE2 . 34200 1 1436 . 1 1 107 107 LYS HE3 H 1 2.985 0.020 . 2 . . . . A 637 LYS HE3 . 34200 1 1437 . 1 1 107 107 LYS C C 13 179.758 0.300 . 1 . . . . A 637 LYS C . 34200 1 1438 . 1 1 107 107 LYS CA C 13 60.248 0.300 . 1 . . . . A 637 LYS CA . 34200 1 1439 . 1 1 107 107 LYS CB C 13 32.575 0.300 . 1 . . . . A 637 LYS CB . 34200 1 1440 . 1 1 107 107 LYS CG C 13 25.560 0.300 . 1 . . . . A 637 LYS CG . 34200 1 1441 . 1 1 107 107 LYS CD C 13 29.617 0.300 . 1 . . . . A 637 LYS CD . 34200 1 1442 . 1 1 107 107 LYS CE C 13 42.222 0.300 . 1 . . . . A 637 LYS CE . 34200 1 1443 . 1 1 107 107 LYS N N 15 119.756 0.300 . 1 . . . . A 637 LYS N . 34200 1 1444 . 1 1 108 108 ILE H H 1 7.566 0.020 . 1 . . . . A 638 ILE H . 34200 1 1445 . 1 1 108 108 ILE HA H 1 3.516 0.020 . 1 . . . . A 638 ILE HA . 34200 1 1446 . 1 1 108 108 ILE HB H 1 1.857 0.020 . 1 . . . . A 638 ILE HB . 34200 1 1447 . 1 1 108 108 ILE HG12 H 1 .641 0.020 . 1 . . . . A 638 ILE HG12 . 34200 1 1448 . 1 1 108 108 ILE HG13 H 1 1.527 0.020 . 1 . . . . A 638 ILE HG13 . 34200 1 1449 . 1 1 108 108 ILE HG21 H 1 .628 0.020 . 1 . . . . A 638 ILE HG21 . 34200 1 1450 . 1 1 108 108 ILE HG22 H 1 .628 0.020 . 1 . . . . A 638 ILE HG22 . 34200 1 1451 . 1 1 108 108 ILE HG23 H 1 .628 0.020 . 1 . . . . A 638 ILE HG23 . 34200 1 1452 . 1 1 108 108 ILE HD11 H 1 .551 0.020 . 1 . . . . A 638 ILE HD11 . 34200 1 1453 . 1 1 108 108 ILE HD12 H 1 .551 0.020 . 1 . . . . A 638 ILE HD12 . 34200 1 1454 . 1 1 108 108 ILE HD13 H 1 .551 0.020 . 1 . . . . A 638 ILE HD13 . 34200 1 1455 . 1 1 108 108 ILE C C 13 177.572 0.300 . 1 . . . . A 638 ILE C . 34200 1 1456 . 1 1 108 108 ILE CA C 13 64.562 0.300 . 1 . . . . A 638 ILE CA . 34200 1 1457 . 1 1 108 108 ILE CB C 13 37.266 0.300 . 1 . . . . A 638 ILE CB . 34200 1 1458 . 1 1 108 108 ILE CG1 C 13 28.330 0.300 . 1 . . . . A 638 ILE CG1 . 34200 1 1459 . 1 1 108 108 ILE CG2 C 13 18.301 0.300 . 1 . . . . A 638 ILE CG2 . 34200 1 1460 . 1 1 108 108 ILE CD1 C 13 12.415 0.300 . 1 . . . . A 638 ILE CD1 . 34200 1 1461 . 1 1 108 108 ILE N N 15 121.396 0.300 . 1 . . . . A 638 ILE N . 34200 1 1462 . 1 1 109 109 ALA H H 1 8.080 0.020 . 1 . . . . A 639 ALA H . 34200 1 1463 . 1 1 109 109 ALA HA H 1 3.963 0.020 . 1 . . . . A 639 ALA HA . 34200 1 1464 . 1 1 109 109 ALA HB1 H 1 1.651 0.020 . 1 . . . . A 639 ALA HB1 . 34200 1 1465 . 1 1 109 109 ALA HB2 H 1 1.651 0.020 . 1 . . . . A 639 ALA HB2 . 34200 1 1466 . 1 1 109 109 ALA HB3 H 1 1.651 0.020 . 1 . . . . A 639 ALA HB3 . 34200 1 1467 . 1 1 109 109 ALA C C 13 179.497 0.300 . 1 . . . . A 639 ALA C . 34200 1 1468 . 1 1 109 109 ALA CA C 13 55.968 0.300 . 1 . . . . A 639 ALA CA . 34200 1 1469 . 1 1 109 109 ALA CB C 13 17.144 0.300 . 1 . . . . A 639 ALA CB . 34200 1 1470 . 1 1 109 109 ALA N N 15 121.656 0.300 . 1 . . . . A 639 ALA N . 34200 1 1471 . 1 1 110 110 ARG H H 1 8.511 0.020 . 1 . . . . A 640 ARG H . 34200 1 1472 . 1 1 110 110 ARG HA H 1 4.227 0.020 . 1 . . . . A 640 ARG HA . 34200 1 1473 . 1 1 110 110 ARG HB2 H 1 1.977 0.020 . 1 . . . . A 640 ARG HB2 . 34200 1 1474 . 1 1 110 110 ARG HB3 H 1 2.026 0.020 . 1 . . . . A 640 ARG HB3 . 34200 1 1475 . 1 1 110 110 ARG HG2 H 1 1.753 0.020 . 1 . . . . A 640 ARG HG2 . 34200 1 1476 . 1 1 110 110 ARG HG3 H 1 1.953 0.020 . 1 . . . . A 640 ARG HG3 . 34200 1 1477 . 1 1 110 110 ARG HD2 H 1 3.213 0.020 . 1 . . . . A 640 ARG HD2 . 34200 1 1478 . 1 1 110 110 ARG HD3 H 1 3.348 0.020 . 1 . . . . A 640 ARG HD3 . 34200 1 1479 . 1 1 110 110 ARG HE H 1 7.568 0.020 . 1 . . . . A 640 ARG HE . 34200 1 1480 . 1 1 110 110 ARG C C 13 179.167 0.300 . 1 . . . . A 640 ARG C . 34200 1 1481 . 1 1 110 110 ARG CA C 13 60.030 0.300 . 1 . . . . A 640 ARG CA . 34200 1 1482 . 1 1 110 110 ARG CB C 13 30.277 0.300 . 1 . . . . A 640 ARG CB . 34200 1 1483 . 1 1 110 110 ARG CG C 13 27.906 0.300 . 1 . . . . A 640 ARG CG . 34200 1 1484 . 1 1 110 110 ARG CD C 13 43.772 0.300 . 1 . . . . A 640 ARG CD . 34200 1 1485 . 1 1 110 110 ARG N N 15 116.968 0.300 . 1 . . . . A 640 ARG N . 34200 1 1486 . 1 1 110 110 ARG NE N 15 85.224 0.300 . 1 . . . . A 640 ARG NE . 34200 1 1487 . 1 1 111 111 ALA H H 1 8.029 0.020 . 1 . . . . A 641 ALA H . 34200 1 1488 . 1 1 111 111 ALA HA H 1 4.368 0.020 . 1 . . . . A 641 ALA HA . 34200 1 1489 . 1 1 111 111 ALA HB1 H 1 1.810 0.020 . 1 . . . . A 641 ALA HB1 . 34200 1 1490 . 1 1 111 111 ALA HB2 H 1 1.810 0.020 . 1 . . . . A 641 ALA HB2 . 34200 1 1491 . 1 1 111 111 ALA HB3 H 1 1.810 0.020 . 1 . . . . A 641 ALA HB3 . 34200 1 1492 . 1 1 111 111 ALA C C 13 181.864 0.300 . 1 . . . . A 641 ALA C . 34200 1 1493 . 1 1 111 111 ALA CA C 13 55.138 0.300 . 1 . . . . A 641 ALA CA . 34200 1 1494 . 1 1 111 111 ALA CB C 13 18.399 0.300 . 1 . . . . A 641 ALA CB . 34200 1 1495 . 1 1 111 111 ALA N N 15 122.060 0.300 . 1 . . . . A 641 ALA N . 34200 1 1496 . 1 1 112 112 LEU H H 1 8.276 0.020 . 1 . . . . A 642 LEU H . 34200 1 1497 . 1 1 112 112 LEU HA H 1 4.029 0.020 . 1 . . . . A 642 LEU HA . 34200 1 1498 . 1 1 112 112 LEU HB2 H 1 .969 0.020 . 1 . . . . A 642 LEU HB2 . 34200 1 1499 . 1 1 112 112 LEU HB3 H 1 2.110 0.020 . 1 . . . . A 642 LEU HB3 . 34200 1 1500 . 1 1 112 112 LEU HG H 1 1.859 0.020 . 1 . . . . A 642 LEU HG . 34200 1 1501 . 1 1 112 112 LEU HD11 H 1 .749 0.020 . 2 . . . . A 642 LEU HD11 . 34200 1 1502 . 1 1 112 112 LEU HD12 H 1 .749 0.020 . 2 . . . . A 642 LEU HD12 . 34200 1 1503 . 1 1 112 112 LEU HD13 H 1 .749 0.020 . 2 . . . . A 642 LEU HD13 . 34200 1 1504 . 1 1 112 112 LEU HD21 H 1 .932 0.020 . 2 . . . . A 642 LEU HD21 . 34200 1 1505 . 1 1 112 112 LEU HD22 H 1 .932 0.020 . 2 . . . . A 642 LEU HD22 . 34200 1 1506 . 1 1 112 112 LEU HD23 H 1 .932 0.020 . 2 . . . . A 642 LEU HD23 . 34200 1 1507 . 1 1 112 112 LEU C C 13 178.896 0.300 . 1 . . . . A 642 LEU C . 34200 1 1508 . 1 1 112 112 LEU CA C 13 58.497 0.300 . 1 . . . . A 642 LEU CA . 34200 1 1509 . 1 1 112 112 LEU CB C 13 41.997 0.300 . 1 . . . . A 642 LEU CB . 34200 1 1510 . 1 1 112 112 LEU CG C 13 27.152 0.300 . 1 . . . . A 642 LEU CG . 34200 1 1511 . 1 1 112 112 LEU CD1 C 13 24.143 0.300 . 1 . . . . A 642 LEU CD1 . 34200 1 1512 . 1 1 112 112 LEU CD2 C 13 27.386 0.300 . 1 . . . . A 642 LEU CD2 . 34200 1 1513 . 1 1 112 112 LEU N N 15 120.738 0.300 . 1 . . . . A 642 LEU N . 34200 1 1514 . 1 1 113 113 PHE H H 1 8.057 0.020 . 1 . . . . A 643 PHE H . 34200 1 1515 . 1 1 113 113 PHE HA H 1 4.087 0.020 . 1 . . . . A 643 PHE HA . 34200 1 1516 . 1 1 113 113 PHE HB2 H 1 3.004 0.020 . 1 . . . . A 643 PHE HB2 . 34200 1 1517 . 1 1 113 113 PHE HB3 H 1 3.138 0.020 . 1 . . . . A 643 PHE HB3 . 34200 1 1518 . 1 1 113 113 PHE HD1 H 1 7.333 0.020 . 3 . . . . A 643 PHE HD1 . 34200 1 1519 . 1 1 113 113 PHE HD2 H 1 7.333 0.020 . 3 . . . . A 643 PHE HD2 . 34200 1 1520 . 1 1 113 113 PHE HE1 H 1 6.851 0.020 . 3 . . . . A 643 PHE HE1 . 34200 1 1521 . 1 1 113 113 PHE HE2 H 1 6.851 0.020 . 3 . . . . A 643 PHE HE2 . 34200 1 1522 . 1 1 113 113 PHE HZ H 1 6.644 0.020 . 1 . . . . A 643 PHE HZ . 34200 1 1523 . 1 1 113 113 PHE C C 13 178.373 0.300 . 1 . . . . A 643 PHE C . 34200 1 1524 . 1 1 113 113 PHE CA C 13 63.863 0.300 . 1 . . . . A 643 PHE CA . 34200 1 1525 . 1 1 113 113 PHE CB C 13 38.495 0.300 . 1 . . . . A 643 PHE CB . 34200 1 1526 . 1 1 113 113 PHE CD1 C 13 131.634 0.300 . 1 . . . . A 643 PHE CD1 . 34200 1 1527 . 1 1 113 113 PHE N N 15 116.980 0.300 . 1 . . . . A 643 PHE N . 34200 1 1528 . 1 1 114 114 ASN H H 1 8.784 0.020 . 1 . . . . A 644 ASN H . 34200 1 1529 . 1 1 114 114 ASN HA H 1 4.624 0.020 . 1 . . . . A 644 ASN HA . 34200 1 1530 . 1 1 114 114 ASN HB2 H 1 2.968 0.020 . 2 . . . . A 644 ASN HB2 . 34200 1 1531 . 1 1 114 114 ASN HB3 H 1 2.968 0.020 . 2 . . . . A 644 ASN HB3 . 34200 1 1532 . 1 1 114 114 ASN HD21 H 1 7.001 0.020 . 1 . . . . A 644 ASN HD21 . 34200 1 1533 . 1 1 114 114 ASN HD22 H 1 7.856 0.020 . 1 . . . . A 644 ASN HD22 . 34200 1 1534 . 1 1 114 114 ASN C C 13 177.119 0.300 . 1 . . . . A 644 ASN C . 34200 1 1535 . 1 1 114 114 ASN CA C 13 56.406 0.300 . 1 . . . . A 644 ASN CA . 34200 1 1536 . 1 1 114 114 ASN CB C 13 38.244 0.300 . 1 . . . . A 644 ASN CB . 34200 1 1537 . 1 1 114 114 ASN N N 15 120.240 0.300 . 1 . . . . A 644 ASN N . 34200 1 1538 . 1 1 114 114 ASN ND2 N 15 112.368 0.300 . 1 . . . . A 644 ASN ND2 . 34200 1 1539 . 1 1 115 115 HIS H H 1 7.999 0.020 . 1 . . . . A 645 HIS H . 34200 1 1540 . 1 1 115 115 HIS HA H 1 4.489 0.020 . 1 . . . . A 645 HIS HA . 34200 1 1541 . 1 1 115 115 HIS HB2 H 1 3.154 0.020 . 1 . . . . A 645 HIS HB2 . 34200 1 1542 . 1 1 115 115 HIS HB3 H 1 3.392 0.020 . 1 . . . . A 645 HIS HB3 . 34200 1 1543 . 1 1 115 115 HIS HD2 H 1 6.513 0.020 . 1 . . . . A 645 HIS HD2 . 34200 1 1544 . 1 1 115 115 HIS HE1 H 1 7.800 0.020 . 1 . . . . A 645 HIS HE1 . 34200 1 1545 . 1 1 115 115 HIS C C 13 178.514 0.300 . 1 . . . . A 645 HIS C . 34200 1 1546 . 1 1 115 115 HIS CA C 13 59.940 0.300 . 1 . . . . A 645 HIS CA . 34200 1 1547 . 1 1 115 115 HIS CB C 13 30.946 0.300 . 1 . . . . A 645 HIS CB . 34200 1 1548 . 1 1 115 115 HIS CD2 C 13 115.603 0.300 . 1 . . . . A 645 HIS CD2 . 34200 1 1549 . 1 1 115 115 HIS CE1 C 13 140.030 0.300 . 1 . . . . A 645 HIS CE1 . 34200 1 1550 . 1 1 115 115 HIS N N 15 119.602 0.300 . 1 . . . . A 645 HIS N . 34200 1 1551 . 1 1 116 116 ILE H H 1 8.249 0.020 . 1 . . . . A 646 ILE H . 34200 1 1552 . 1 1 116 116 ILE HA H 1 3.423 0.020 . 1 . . . . A 646 ILE HA . 34200 1 1553 . 1 1 116 116 ILE HB H 1 2.078 0.020 . 1 . . . . A 646 ILE HB . 34200 1 1554 . 1 1 116 116 ILE HG12 H 1 1.223 0.020 . 1 . . . . A 646 ILE HG12 . 34200 1 1555 . 1 1 116 116 ILE HG13 H 1 1.708 0.020 . 1 . . . . A 646 ILE HG13 . 34200 1 1556 . 1 1 116 116 ILE HG21 H 1 1.016 0.020 . 1 . . . . A 646 ILE HG21 . 34200 1 1557 . 1 1 116 116 ILE HG22 H 1 1.016 0.020 . 1 . . . . A 646 ILE HG22 . 34200 1 1558 . 1 1 116 116 ILE HG23 H 1 1.016 0.020 . 1 . . . . A 646 ILE HG23 . 34200 1 1559 . 1 1 116 116 ILE HD11 H 1 .655 0.020 . 1 . . . . A 646 ILE HD11 . 34200 1 1560 . 1 1 116 116 ILE HD12 H 1 .655 0.020 . 1 . . . . A 646 ILE HD12 . 34200 1 1561 . 1 1 116 116 ILE HD13 H 1 .655 0.020 . 1 . . . . A 646 ILE HD13 . 34200 1 1562 . 1 1 116 116 ILE C C 13 177.785 0.300 . 1 . . . . A 646 ILE C . 34200 1 1563 . 1 1 116 116 ILE CA C 13 65.996 0.300 . 1 . . . . A 646 ILE CA . 34200 1 1564 . 1 1 116 116 ILE CB C 13 37.871 0.300 . 1 . . . . A 646 ILE CB . 34200 1 1565 . 1 1 116 116 ILE CG1 C 13 28.742 0.300 . 1 . . . . A 646 ILE CG1 . 34200 1 1566 . 1 1 116 116 ILE CG2 C 13 18.858 0.300 . 1 . . . . A 646 ILE CG2 . 34200 1 1567 . 1 1 116 116 ILE CD1 C 13 13.329 0.300 . 1 . . . . A 646 ILE CD1 . 34200 1 1568 . 1 1 116 116 ILE N N 15 119.911 0.300 . 1 . . . . A 646 ILE N . 34200 1 1569 . 1 1 117 117 ASP H H 1 8.318 0.020 . 1 . . . . A 647 ASP H . 34200 1 1570 . 1 1 117 117 ASP HA H 1 4.423 0.020 . 1 . . . . A 647 ASP HA . 34200 1 1571 . 1 1 117 117 ASP HB2 H 1 2.808 0.020 . 1 . . . . A 647 ASP HB2 . 34200 1 1572 . 1 1 117 117 ASP HB3 H 1 2.949 0.020 . 1 . . . . A 647 ASP HB3 . 34200 1 1573 . 1 1 117 117 ASP C C 13 179.311 0.300 . 1 . . . . A 647 ASP C . 34200 1 1574 . 1 1 117 117 ASP CA C 13 57.745 0.300 . 1 . . . . A 647 ASP CA . 34200 1 1575 . 1 1 117 117 ASP CB C 13 41.948 0.300 . 1 . . . . A 647 ASP CB . 34200 1 1576 . 1 1 117 117 ASP N N 15 121.436 0.300 . 1 . . . . A 647 ASP N . 34200 1 1577 . 1 1 118 118 LYS H H 1 8.169 0.020 . 1 . . . . A 648 LYS H . 34200 1 1578 . 1 1 118 118 LYS HA H 1 4.147 0.020 . 1 . . . . A 648 LYS HA . 34200 1 1579 . 1 1 118 118 LYS HB2 H 1 1.960 0.020 . 2 . . . . A 648 LYS HB2 . 34200 1 1580 . 1 1 118 118 LYS HB3 H 1 1.960 0.020 . 2 . . . . A 648 LYS HB3 . 34200 1 1581 . 1 1 118 118 LYS HG2 H 1 1.568 0.020 . 1 . . . . A 648 LYS HG2 . 34200 1 1582 . 1 1 118 118 LYS HG3 H 1 1.608 0.020 . 1 . . . . A 648 LYS HG3 . 34200 1 1583 . 1 1 118 118 LYS HD2 H 1 1.717 0.020 . 2 . . . . A 648 LYS HD2 . 34200 1 1584 . 1 1 118 118 LYS HD3 H 1 1.717 0.020 . 2 . . . . A 648 LYS HD3 . 34200 1 1585 . 1 1 118 118 LYS HE2 H 1 3.042 0.020 . 2 . . . . A 648 LYS HE2 . 34200 1 1586 . 1 1 118 118 LYS HE3 H 1 3.042 0.020 . 2 . . . . A 648 LYS HE3 . 34200 1 1587 . 1 1 118 118 LYS C C 13 178.256 0.300 . 1 . . . . A 648 LYS C . 34200 1 1588 . 1 1 118 118 LYS CA C 13 58.129 0.300 . 1 . . . . A 648 LYS CA . 34200 1 1589 . 1 1 118 118 LYS CB C 13 32.078 0.300 . 1 . . . . A 648 LYS CB . 34200 1 1590 . 1 1 118 118 LYS CG C 13 24.901 0.300 . 1 . . . . A 648 LYS CG . 34200 1 1591 . 1 1 118 118 LYS CD C 13 29.165 0.300 . 1 . . . . A 648 LYS CD . 34200 1 1592 . 1 1 118 118 LYS CE C 13 42.157 0.300 . 1 . . . . A 648 LYS CE . 34200 1 1593 . 1 1 118 118 LYS N N 15 119.754 0.300 . 1 . . . . A 648 LYS N . 34200 1 1594 . 1 1 119 119 SER H H 1 7.717 0.020 . 1 . . . . A 649 SER H . 34200 1 1595 . 1 1 119 119 SER HA H 1 4.329 0.020 . 1 . . . . A 649 SER HA . 34200 1 1596 . 1 1 119 119 SER HB2 H 1 3.828 0.020 . 2 . . . . A 649 SER HB2 . 34200 1 1597 . 1 1 119 119 SER HB3 H 1 3.828 0.020 . 2 . . . . A 649 SER HB3 . 34200 1 1598 . 1 1 119 119 SER C C 13 174.070 0.300 . 1 . . . . A 649 SER C . 34200 1 1599 . 1 1 119 119 SER CA C 13 59.801 0.300 . 1 . . . . A 649 SER CA . 34200 1 1600 . 1 1 119 119 SER CB C 13 63.477 0.300 . 1 . . . . A 649 SER CB . 34200 1 1601 . 1 1 119 119 SER N N 15 113.845 0.300 . 1 . . . . A 649 SER N . 34200 1 1602 . 1 1 120 120 GLY H H 1 7.970 0.020 . 1 . . . . A 650 GLY H . 34200 1 1603 . 1 1 120 120 GLY HA2 H 1 3.696 0.020 . 1 . . . . A 650 GLY HA2 . 34200 1 1604 . 1 1 120 120 GLY HA3 H 1 4.213 0.020 . 1 . . . . A 650 GLY HA3 . 34200 1 1605 . 1 1 120 120 GLY C C 13 174.269 0.300 . 1 . . . . A 650 GLY C . 34200 1 1606 . 1 1 120 120 GLY CA C 13 45.588 0.300 . 1 . . . . A 650 GLY CA . 34200 1 1607 . 1 1 120 120 GLY N N 15 108.582 0.300 . 1 . . . . A 650 GLY N . 34200 1 1608 . 1 1 121 121 LEU H H 1 7.609 0.020 . 1 . . . . A 651 LEU H . 34200 1 1609 . 1 1 121 121 LEU HA H 1 4.346 0.020 . 1 . . . . A 651 LEU HA . 34200 1 1610 . 1 1 121 121 LEU HB2 H 1 1.238 0.020 . 1 . . . . A 651 LEU HB2 . 34200 1 1611 . 1 1 121 121 LEU HB3 H 1 1.497 0.020 . 1 . . . . A 651 LEU HB3 . 34200 1 1612 . 1 1 121 121 LEU HG H 1 1.400 0.020 . 1 . . . . A 651 LEU HG . 34200 1 1613 . 1 1 121 121 LEU HD11 H 1 .589 0.020 . 2 . . . . A 651 LEU HD11 . 34200 1 1614 . 1 1 121 121 LEU HD12 H 1 .589 0.020 . 2 . . . . A 651 LEU HD12 . 34200 1 1615 . 1 1 121 121 LEU HD13 H 1 .589 0.020 . 2 . . . . A 651 LEU HD13 . 34200 1 1616 . 1 1 121 121 LEU HD21 H 1 .670 0.020 . 2 . . . . A 651 LEU HD21 . 34200 1 1617 . 1 1 121 121 LEU HD22 H 1 .670 0.020 . 2 . . . . A 651 LEU HD22 . 34200 1 1618 . 1 1 121 121 LEU HD23 H 1 .670 0.020 . 2 . . . . A 651 LEU HD23 . 34200 1 1619 . 1 1 121 121 LEU C C 13 175.410 0.300 . 1 . . . . A 651 LEU C . 34200 1 1620 . 1 1 121 121 LEU CA C 13 55.013 0.300 . 1 . . . . A 651 LEU CA . 34200 1 1621 . 1 1 121 121 LEU CB C 13 40.326 0.300 . 1 . . . . A 651 LEU CB . 34200 1 1622 . 1 1 121 121 LEU CG C 13 27.338 0.300 . 1 . . . . A 651 LEU CG . 34200 1 1623 . 1 1 121 121 LEU CD1 C 13 24.035 0.300 . 1 . . . . A 651 LEU CD1 . 34200 1 1624 . 1 1 121 121 LEU CD2 C 13 25.251 0.300 . 1 . . . . A 651 LEU CD2 . 34200 1 1625 . 1 1 121 121 LEU N N 15 122.904 0.300 . 1 . . . . A 651 LEU N . 34200 1 1626 . 1 1 122 122 LYS H H 1 8.090 0.020 . 1 . . . . A 652 LYS H . 34200 1 1627 . 1 1 122 122 LYS HA H 1 4.355 0.020 . 1 . . . . A 652 LYS HA . 34200 1 1628 . 1 1 122 122 LYS HB2 H 1 1.665 0.020 . 1 . . . . A 652 LYS HB2 . 34200 1 1629 . 1 1 122 122 LYS HB3 H 1 1.875 0.020 . 1 . . . . A 652 LYS HB3 . 34200 1 1630 . 1 1 122 122 LYS HG2 H 1 1.351 0.020 . 2 . . . . A 652 LYS HG2 . 34200 1 1631 . 1 1 122 122 LYS HG3 H 1 1.351 0.020 . 2 . . . . A 652 LYS HG3 . 34200 1 1632 . 1 1 122 122 LYS HD2 H 1 1.655 0.020 . 2 . . . . A 652 LYS HD2 . 34200 1 1633 . 1 1 122 122 LYS HD3 H 1 1.655 0.020 . 2 . . . . A 652 LYS HD3 . 34200 1 1634 . 1 1 122 122 LYS HE2 H 1 2.978 0.020 . 2 . . . . A 652 LYS HE2 . 34200 1 1635 . 1 1 122 122 LYS HE3 H 1 2.978 0.020 . 2 . . . . A 652 LYS HE3 . 34200 1 1636 . 1 1 122 122 LYS C C 13 175.900 0.300 . 1 . . . . A 652 LYS C . 34200 1 1637 . 1 1 122 122 LYS CA C 13 55.660 0.300 . 1 . . . . A 652 LYS CA . 34200 1 1638 . 1 1 122 122 LYS CB C 13 33.301 0.300 . 1 . . . . A 652 LYS CB . 34200 1 1639 . 1 1 122 122 LYS CG C 13 24.383 0.300 . 1 . . . . A 652 LYS CG . 34200 1 1640 . 1 1 122 122 LYS CD C 13 29.129 0.300 . 1 . . . . A 652 LYS CD . 34200 1 1641 . 1 1 122 122 LYS CE C 13 42.147 0.300 . 1 . . . . A 652 LYS CE . 34200 1 1642 . 1 1 122 122 LYS N N 15 123.039 0.300 . 1 . . . . A 652 LYS N . 34200 1 1643 . 1 1 123 123 ASP H H 1 7.931 0.020 . 1 . . . . A 653 ASP H . 34200 1 1644 . 1 1 123 123 ASP HA H 1 4.586 0.020 . 1 . . . . A 653 ASP HA . 34200 1 1645 . 1 1 123 123 ASP HB2 H 1 2.689 0.020 . 1 . . . . A 653 ASP HB2 . 34200 1 1646 . 1 1 123 123 ASP HB3 H 1 2.830 0.020 . 1 . . . . A 653 ASP HB3 . 34200 1 1647 . 1 1 123 123 ASP C C 13 177.063 0.300 . 1 . . . . A 653 ASP C . 34200 1 1648 . 1 1 123 123 ASP CA C 13 55.011 0.300 . 1 . . . . A 653 ASP CA . 34200 1 1649 . 1 1 123 123 ASP CB C 13 42.243 0.300 . 1 . . . . A 653 ASP CB . 34200 1 1650 . 1 1 123 123 ASP N N 15 121.564 0.300 . 1 . . . . A 653 ASP N . 34200 1 1651 . 1 1 124 124 SER H H 1 8.773 0.020 . 1 . . . . A 654 SER H . 34200 1 1652 . 1 1 124 124 SER HA H 1 4.285 0.020 . 1 . . . . A 654 SER HA . 34200 1 1653 . 1 1 124 124 SER HB2 H 1 3.882 0.020 . 1 . . . . A 654 SER HB2 . 34200 1 1654 . 1 1 124 124 SER HB3 H 1 3.950 0.020 . 1 . . . . A 654 SER HB3 . 34200 1 1655 . 1 1 124 124 SER C C 13 176.035 0.300 . 1 . . . . A 654 SER C . 34200 1 1656 . 1 1 124 124 SER CA C 13 61.223 0.300 . 1 . . . . A 654 SER CA . 34200 1 1657 . 1 1 124 124 SER CB C 13 62.729 0.300 . 1 . . . . A 654 SER CB . 34200 1 1658 . 1 1 124 124 SER N N 15 117.790 0.300 . 1 . . . . A 654 SER N . 34200 1 1659 . 1 1 125 125 SER H H 1 8.553 0.020 . 1 . . . . A 655 SER H . 34200 1 1660 . 1 1 125 125 SER HA H 1 4.457 0.020 . 1 . . . . A 655 SER HA . 34200 1 1661 . 1 1 125 125 SER HB2 H 1 4.073 0.020 . 2 . . . . A 655 SER HB2 . 34200 1 1662 . 1 1 125 125 SER HB3 H 1 4.073 0.020 . 2 . . . . A 655 SER HB3 . 34200 1 1663 . 1 1 125 125 SER C C 13 177.020 0.300 . 1 . . . . A 655 SER C . 34200 1 1664 . 1 1 125 125 SER CA C 13 60.980 0.300 . 1 . . . . A 655 SER CA . 34200 1 1665 . 1 1 125 125 SER CB C 13 62.643 0.300 . 1 . . . . A 655 SER CB . 34200 1 1666 . 1 1 125 125 SER N N 15 118.980 0.300 . 1 . . . . A 655 SER N . 34200 1 1667 . 1 1 126 126 VAL H H 1 7.939 0.020 . 1 . . . . A 656 VAL H . 34200 1 1668 . 1 1 126 126 VAL HA H 1 3.889 0.020 . 1 . . . . A 656 VAL HA . 34200 1 1669 . 1 1 126 126 VAL HB H 1 2.284 0.020 . 1 . . . . A 656 VAL HB . 34200 1 1670 . 1 1 126 126 VAL HG11 H 1 .704 0.020 . 2 . . . . A 656 VAL HG11 . 34200 1 1671 . 1 1 126 126 VAL HG12 H 1 .704 0.020 . 2 . . . . A 656 VAL HG12 . 34200 1 1672 . 1 1 126 126 VAL HG13 H 1 .704 0.020 . 2 . . . . A 656 VAL HG13 . 34200 1 1673 . 1 1 126 126 VAL HG21 H 1 1.128 0.020 . 2 . . . . A 656 VAL HG21 . 34200 1 1674 . 1 1 126 126 VAL HG22 H 1 1.128 0.020 . 2 . . . . A 656 VAL HG22 . 34200 1 1675 . 1 1 126 126 VAL HG23 H 1 1.128 0.020 . 2 . . . . A 656 VAL HG23 . 34200 1 1676 . 1 1 126 126 VAL C C 13 177.287 0.300 . 1 . . . . A 656 VAL C . 34200 1 1677 . 1 1 126 126 VAL CA C 13 66.830 0.300 . 1 . . . . A 656 VAL CA . 34200 1 1678 . 1 1 126 126 VAL CB C 13 31.450 0.300 . 1 . . . . A 656 VAL CB . 34200 1 1679 . 1 1 126 126 VAL CG1 C 13 22.172 0.300 . 1 . . . . A 656 VAL CG1 . 34200 1 1680 . 1 1 126 126 VAL CG2 C 13 22.081 0.300 . 1 . . . . A 656 VAL CG2 . 34200 1 1681 . 1 1 126 126 VAL N N 15 125.250 0.300 . 1 . . . . A 656 VAL N . 34200 1 1682 . 1 1 127 127 GLU H H 1 7.823 0.020 . 1 . . . . A 657 GLU H . 34200 1 1683 . 1 1 127 127 GLU HA H 1 3.934 0.020 . 1 . . . . A 657 GLU HA . 34200 1 1684 . 1 1 127 127 GLU HB2 H 1 2.091 0.020 . 1 . . . . A 657 GLU HB2 . 34200 1 1685 . 1 1 127 127 GLU HB3 H 1 2.138 0.020 . 1 . . . . A 657 GLU HB3 . 34200 1 1686 . 1 1 127 127 GLU HG2 H 1 2.321 0.020 . 2 . . . . A 657 GLU HG2 . 34200 1 1687 . 1 1 127 127 GLU HG3 H 1 2.321 0.020 . 2 . . . . A 657 GLU HG3 . 34200 1 1688 . 1 1 127 127 GLU C C 13 179.263 0.300 . 1 . . . . A 657 GLU C . 34200 1 1689 . 1 1 127 127 GLU CA C 13 59.491 0.300 . 1 . . . . A 657 GLU CA . 34200 1 1690 . 1 1 127 127 GLU CB C 13 29.316 0.300 . 1 . . . . A 657 GLU CB . 34200 1 1691 . 1 1 127 127 GLU CG C 13 35.909 0.300 . 1 . . . . A 657 GLU CG . 34200 1 1692 . 1 1 127 127 GLU N N 15 119.421 0.300 . 1 . . . . A 657 GLU N . 34200 1 1693 . 1 1 128 128 GLU H H 1 8.037 0.020 . 1 . . . . A 658 GLU H . 34200 1 1694 . 1 1 128 128 GLU HA H 1 4.057 0.020 . 1 . . . . A 658 GLU HA . 34200 1 1695 . 1 1 128 128 GLU HB2 H 1 2.117 0.020 . 2 . . . . A 658 GLU HB2 . 34200 1 1696 . 1 1 128 128 GLU HB3 H 1 2.117 0.020 . 2 . . . . A 658 GLU HB3 . 34200 1 1697 . 1 1 128 128 GLU HG2 H 1 2.377 0.020 . 2 . . . . A 658 GLU HG2 . 34200 1 1698 . 1 1 128 128 GLU HG3 H 1 2.377 0.020 . 2 . . . . A 658 GLU HG3 . 34200 1 1699 . 1 1 128 128 GLU C C 13 179.012 0.300 . 1 . . . . A 658 GLU C . 34200 1 1700 . 1 1 128 128 GLU CA C 13 59.075 0.300 . 1 . . . . A 658 GLU CA . 34200 1 1701 . 1 1 128 128 GLU CB C 13 29.530 0.300 . 1 . . . . A 658 GLU CB . 34200 1 1702 . 1 1 128 128 GLU CG C 13 36.175 0.300 . 1 . . . . A 658 GLU CG . 34200 1 1703 . 1 1 128 128 GLU N N 15 117.948 0.300 . 1 . . . . A 658 GLU N . 34200 1 1704 . 1 1 129 129 LEU H H 1 7.853 0.020 . 1 . . . . A 659 LEU H . 34200 1 1705 . 1 1 129 129 LEU HA H 1 4.273 0.020 . 1 . . . . A 659 LEU HA . 34200 1 1706 . 1 1 129 129 LEU HB2 H 1 1.919 0.020 . 1 . . . . A 659 LEU HB2 . 34200 1 1707 . 1 1 129 129 LEU HB3 H 1 2.282 0.020 . 1 . . . . A 659 LEU HB3 . 34200 1 1708 . 1 1 129 129 LEU HG H 1 2.050 0.020 . 1 . . . . A 659 LEU HG . 34200 1 1709 . 1 1 129 129 LEU HD11 H 1 .843 0.020 . 2 . . . . A 659 LEU HD11 . 34200 1 1710 . 1 1 129 129 LEU HD12 H 1 .843 0.020 . 2 . . . . A 659 LEU HD12 . 34200 1 1711 . 1 1 129 129 LEU HD13 H 1 .843 0.020 . 2 . . . . A 659 LEU HD13 . 34200 1 1712 . 1 1 129 129 LEU HD21 H 1 1.151 0.020 . 2 . . . . A 659 LEU HD21 . 34200 1 1713 . 1 1 129 129 LEU HD22 H 1 1.151 0.020 . 2 . . . . A 659 LEU HD22 . 34200 1 1714 . 1 1 129 129 LEU HD23 H 1 1.151 0.020 . 2 . . . . A 659 LEU HD23 . 34200 1 1715 . 1 1 129 129 LEU C C 13 178.727 0.300 . 1 . . . . A 659 LEU C . 34200 1 1716 . 1 1 129 129 LEU CA C 13 57.750 0.300 . 1 . . . . A 659 LEU CA . 34200 1 1717 . 1 1 129 129 LEU CB C 13 42.038 0.300 . 1 . . . . A 659 LEU CB . 34200 1 1718 . 1 1 129 129 LEU CG C 13 26.759 0.300 . 1 . . . . A 659 LEU CG . 34200 1 1719 . 1 1 129 129 LEU CD1 C 13 27.095 0.300 . 1 . . . . A 659 LEU CD1 . 34200 1 1720 . 1 1 129 129 LEU CD2 C 13 24.581 0.300 . 1 . . . . A 659 LEU CD2 . 34200 1 1721 . 1 1 129 129 LEU N N 15 121.857 0.300 . 1 . . . . A 659 LEU N . 34200 1 1722 . 1 1 130 130 LYS H H 1 8.488 0.020 . 1 . . . . A 660 LYS H . 34200 1 1723 . 1 1 130 130 LYS HA H 1 2.615 0.020 . 1 . . . . A 660 LYS HA . 34200 1 1724 . 1 1 130 130 LYS HB2 H 1 1.414 0.020 . 1 . . . . A 660 LYS HB2 . 34200 1 1725 . 1 1 130 130 LYS HB3 H 1 1.646 0.020 . 1 . . . . A 660 LYS HB3 . 34200 1 1726 . 1 1 130 130 LYS HG2 H 1 .723 0.020 . 1 . . . . A 660 LYS HG2 . 34200 1 1727 . 1 1 130 130 LYS HG3 H 1 .847 0.020 . 1 . . . . A 660 LYS HG3 . 34200 1 1728 . 1 1 130 130 LYS HD2 H 1 1.579 0.020 . 2 . . . . A 660 LYS HD2 . 34200 1 1729 . 1 1 130 130 LYS HD3 H 1 1.579 0.020 . 2 . . . . A 660 LYS HD3 . 34200 1 1730 . 1 1 130 130 LYS HE2 H 1 2.792 0.020 . 2 . . . . A 660 LYS HE2 . 34200 1 1731 . 1 1 130 130 LYS HE3 H 1 2.792 0.020 . 2 . . . . A 660 LYS HE3 . 34200 1 1732 . 1 1 130 130 LYS C C 13 179.998 0.300 . 1 . . . . A 660 LYS C . 34200 1 1733 . 1 1 130 130 LYS CA C 13 59.851 0.300 . 1 . . . . A 660 LYS CA . 34200 1 1734 . 1 1 130 130 LYS CB C 13 32.442 0.300 . 1 . . . . A 660 LYS CB . 34200 1 1735 . 1 1 130 130 LYS CG C 13 25.231 0.300 . 1 . . . . A 660 LYS CG . 34200 1 1736 . 1 1 130 130 LYS CD C 13 29.899 0.300 . 1 . . . . A 660 LYS CD . 34200 1 1737 . 1 1 130 130 LYS CE C 13 41.829 0.300 . 1 . . . . A 660 LYS CE . 34200 1 1738 . 1 1 130 130 LYS N N 15 119.999 0.300 . 1 . . . . A 660 LYS N . 34200 1 1739 . 1 1 131 131 LYS H H 1 7.429 0.020 . 1 . . . . A 661 LYS H . 34200 1 1740 . 1 1 131 131 LYS HA H 1 4.057 0.020 . 1 . . . . A 661 LYS HA . 34200 1 1741 . 1 1 131 131 LYS HB2 H 1 1.973 0.020 . 2 . . . . A 661 LYS HB2 . 34200 1 1742 . 1 1 131 131 LYS HB3 H 1 1.973 0.020 . 2 . . . . A 661 LYS HB3 . 34200 1 1743 . 1 1 131 131 LYS HG2 H 1 1.482 0.020 . 1 . . . . A 661 LYS HG2 . 34200 1 1744 . 1 1 131 131 LYS HG3 H 1 1.637 0.020 . 1 . . . . A 661 LYS HG3 . 34200 1 1745 . 1 1 131 131 LYS HD2 H 1 1.716 0.020 . 2 . . . . A 661 LYS HD2 . 34200 1 1746 . 1 1 131 131 LYS HD3 H 1 1.716 0.020 . 2 . . . . A 661 LYS HD3 . 34200 1 1747 . 1 1 131 131 LYS HE2 H 1 2.968 0.020 . 2 . . . . A 661 LYS HE2 . 34200 1 1748 . 1 1 131 131 LYS HE3 H 1 2.968 0.020 . 2 . . . . A 661 LYS HE3 . 34200 1 1749 . 1 1 131 131 LYS C C 13 180.585 0.300 . 1 . . . . A 661 LYS C . 34200 1 1750 . 1 1 131 131 LYS CA C 13 59.046 0.300 . 1 . . . . A 661 LYS CA . 34200 1 1751 . 1 1 131 131 LYS CB C 13 32.037 0.300 . 1 . . . . A 661 LYS CB . 34200 1 1752 . 1 1 131 131 LYS CG C 13 25.123 0.300 . 1 . . . . A 661 LYS CG . 34200 1 1753 . 1 1 131 131 LYS CD C 13 29.295 0.300 . 1 . . . . A 661 LYS CD . 34200 1 1754 . 1 1 131 131 LYS CE C 13 42.216 0.300 . 1 . . . . A 661 LYS CE . 34200 1 1755 . 1 1 131 131 LYS N N 15 117.479 0.300 . 1 . . . . A 661 LYS N . 34200 1 1756 . 1 1 132 132 ARG H H 1 7.949 0.020 . 1 . . . . A 662 ARG H . 34200 1 1757 . 1 1 132 132 ARG HA H 1 4.261 0.020 . 1 . . . . A 662 ARG HA . 34200 1 1758 . 1 1 132 132 ARG HB2 H 1 2.137 0.020 . 1 . . . . A 662 ARG HB2 . 34200 1 1759 . 1 1 132 132 ARG HB3 H 1 2.384 0.020 . 1 . . . . A 662 ARG HB3 . 34200 1 1760 . 1 1 132 132 ARG HG2 H 1 1.903 0.020 . 1 . . . . A 662 ARG HG2 . 34200 1 1761 . 1 1 132 132 ARG HG3 H 1 2.083 0.020 . 1 . . . . A 662 ARG HG3 . 34200 1 1762 . 1 1 132 132 ARG HD2 H 1 3.258 0.020 . 2 . . . . A 662 ARG HD2 . 34200 1 1763 . 1 1 132 132 ARG HD3 H 1 3.258 0.020 . 2 . . . . A 662 ARG HD3 . 34200 1 1764 . 1 1 132 132 ARG HE H 1 7.577 0.020 . 1 . . . . A 662 ARG HE . 34200 1 1765 . 1 1 132 132 ARG C C 13 177.341 0.300 . 1 . . . . A 662 ARG C . 34200 1 1766 . 1 1 132 132 ARG CA C 13 58.548 0.300 . 1 . . . . A 662 ARG CA . 34200 1 1767 . 1 1 132 132 ARG CB C 13 29.420 0.300 . 1 . . . . A 662 ARG CB . 34200 1 1768 . 1 1 132 132 ARG CG C 13 27.719 0.300 . 1 . . . . A 662 ARG CG . 34200 1 1769 . 1 1 132 132 ARG CD C 13 42.985 0.300 . 1 . . . . A 662 ARG CD . 34200 1 1770 . 1 1 132 132 ARG N N 15 120.572 0.300 . 1 . . . . A 662 ARG N . 34200 1 1771 . 1 1 132 132 ARG NE N 15 83.998 0.300 . 1 . . . . A 662 ARG NE . 34200 1 1772 . 1 1 133 133 TYR H H 1 7.656 0.020 . 1 . . . . A 663 TYR H . 34200 1 1773 . 1 1 133 133 TYR HA H 1 4.317 0.020 . 1 . . . . A 663 TYR HA . 34200 1 1774 . 1 1 133 133 TYR HB2 H 1 2.921 0.020 . 1 . . . . A 663 TYR HB2 . 34200 1 1775 . 1 1 133 133 TYR HB3 H 1 3.405 0.020 . 1 . . . . A 663 TYR HB3 . 34200 1 1776 . 1 1 133 133 TYR HD1 H 1 6.796 0.020 . 3 . . . . A 663 TYR HD1 . 34200 1 1777 . 1 1 133 133 TYR HD2 H 1 6.796 0.020 . 3 . . . . A 663 TYR HD2 . 34200 1 1778 . 1 1 133 133 TYR HE1 H 1 6.830 0.020 . 3 . . . . A 663 TYR HE1 . 34200 1 1779 . 1 1 133 133 TYR HE2 H 1 6.830 0.020 . 3 . . . . A 663 TYR HE2 . 34200 1 1780 . 1 1 133 133 TYR HH H 1 9.253 0.020 . 1 . . . . A 663 TYR HH . 34200 1 1781 . 1 1 133 133 TYR C C 13 175.146 0.300 . 1 . . . . A 663 TYR C . 34200 1 1782 . 1 1 133 133 TYR CA C 13 60.007 0.300 . 1 . . . . A 663 TYR CA . 34200 1 1783 . 1 1 133 133 TYR CB C 13 39.380 0.300 . 1 . . . . A 663 TYR CB . 34200 1 1784 . 1 1 133 133 TYR CD1 C 13 131.110 0.300 . 1 . . . . A 663 TYR CD1 . 34200 1 1785 . 1 1 133 133 TYR CE1 C 13 118.124 0.300 . 1 . . . . A 663 TYR CE1 . 34200 1 1786 . 1 1 133 133 TYR N N 15 115.648 0.300 . 1 . . . . A 663 TYR N . 34200 1 1787 . 1 1 134 134 GLY H H 1 7.696 0.020 . 1 . . . . A 664 GLY H . 34200 1 1788 . 1 1 134 134 GLY HA2 H 1 3.818 0.020 . 1 . . . . A 664 GLY HA2 . 34200 1 1789 . 1 1 134 134 GLY HA3 H 1 4.116 0.020 . 1 . . . . A 664 GLY HA3 . 34200 1 1790 . 1 1 134 134 GLY C C 13 174.630 0.300 . 1 . . . . A 664 GLY C . 34200 1 1791 . 1 1 134 134 GLY CA C 13 45.967 0.300 . 1 . . . . A 664 GLY CA . 34200 1 1792 . 1 1 134 134 GLY N N 15 106.478 0.300 . 1 . . . . A 664 GLY N . 34200 1 1793 . 1 1 135 135 GLY H H 1 8.059 0.020 . 1 . . . . A 665 GLY H . 34200 1 1794 . 1 1 135 135 GLY HA2 H 1 3.419 0.020 . 1 . . . . A 665 GLY HA2 . 34200 1 1795 . 1 1 135 135 GLY HA3 H 1 3.805 0.020 . 1 . . . . A 665 GLY HA3 . 34200 1 1796 . 1 1 135 135 GLY C C 13 178.332 0.300 . 1 . . . . A 665 GLY C . 34200 1 1797 . 1 1 135 135 GLY CA C 13 45.967 0.300 . 1 . . . . A 665 GLY CA . 34200 1 1798 . 1 1 135 135 GLY N N 15 114.351 0.300 . 1 . . . . A 665 GLY N . 34200 1 stop_ save_