data_36431 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36431 _Entry.Title ; The solution structure of the second RRM domain of Matrin-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-13 _Entry.Accession_date 2021-08-18 _Entry.Last_release_date 2021-08-18 _Entry.Original_release_date 2021-08-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Y. Muto Y. . . . 36431 2 N. Kobayashi N. . . . 36431 3 S. Yokoyama S. . . . 36431 4 RSGI 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . . . . 36431 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'RIKEN Structural Genomics/Proteomics Initiative' RSGI 36431 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ALS/FTD . 36431 PSI-2 . 36431 'Protein Structure Initiative' . 36431 'RIKEN Structural Genomics/Proteomics Initiative' . 36431 'RNA BINDING PROTEIN' . 36431 RRM . 36431 RSGI . 36431 'Structural Genomics' . 36431 'nuclear matrix protein' . 36431 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36431 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 36431 '15N chemical shifts' 96 36431 '1H chemical shifts' 723 36431 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-02-24 . original BMRB . 36431 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7FBV 'BMRB Entry Tracking System' 36431 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36431 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of the two RRM domains of Matrin-3 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 F. He F. . . . 36431 1 2 K. Kuwasako K. . . . 36431 1 3 M. Takizawa M. . . . 36431 1 4 M. Takahashi M. . . . 36431 1 5 K. Tsuda K. . . . 36431 1 6 T. Nagata T. . . . 36431 1 7 S. Watanabe S. . . . 36431 1 8 A. Tanaka A. . . . 36431 1 9 N. Kobayashi N. . . . 36431 1 10 T. Kigawa T. . . . 36431 1 11 P. Guntert P. . . . 36431 1 12 M. Shirouzu M. . . . 36431 1 13 S. Yokoyama S. . . . 36431 1 14 Y. Muto Y. . . . 36431 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36431 _Assembly.ID 1 _Assembly.Name Matrin-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 unit_1 1 $entity_1 A A yes . . . . . . 36431 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36431 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Matrin-3 _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 ; GSSGSSGKKPEGKPDQKFDQ KQELGRVIHLSNLPHSGYSD SAVLKLAEPYGKIKNYILMR MKSQAFIEMETREDAMAMVD HCLKKALWFQGRCVKVDLSE KYKKLVSGPSSG ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12499.458 _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 . GLY . 36431 1 2 . SER . 36431 1 3 . SER . 36431 1 4 . GLY . 36431 1 5 . SER . 36431 1 6 . SER . 36431 1 7 477 GLY . 36431 1 8 478 LYS . 36431 1 9 479 LYS . 36431 1 10 480 PRO . 36431 1 11 481 GLU . 36431 1 12 482 GLY . 36431 1 13 483 LYS . 36431 1 14 484 PRO . 36431 1 15 485 ASP . 36431 1 16 486 GLN . 36431 1 17 487 LYS . 36431 1 18 488 PHE . 36431 1 19 489 ASP . 36431 1 20 490 GLN . 36431 1 21 491 LYS . 36431 1 22 492 GLN . 36431 1 23 493 GLU . 36431 1 24 494 LEU . 36431 1 25 495 GLY . 36431 1 26 496 ARG . 36431 1 27 497 VAL . 36431 1 28 498 ILE . 36431 1 29 499 HIS . 36431 1 30 500 LEU . 36431 1 31 501 SER . 36431 1 32 502 ASN . 36431 1 33 503 LEU . 36431 1 34 504 PRO . 36431 1 35 505 HIS . 36431 1 36 506 SER . 36431 1 37 507 GLY . 36431 1 38 508 TYR . 36431 1 39 509 SER . 36431 1 40 510 ASP . 36431 1 41 511 SER . 36431 1 42 512 ALA . 36431 1 43 513 VAL . 36431 1 44 514 LEU . 36431 1 45 515 LYS . 36431 1 46 516 LEU . 36431 1 47 517 ALA . 36431 1 48 518 GLU . 36431 1 49 519 PRO . 36431 1 50 520 TYR . 36431 1 51 521 GLY . 36431 1 52 522 LYS . 36431 1 53 523 ILE . 36431 1 54 524 LYS . 36431 1 55 525 ASN . 36431 1 56 526 TYR . 36431 1 57 527 ILE . 36431 1 58 528 LEU . 36431 1 59 529 MET . 36431 1 60 530 ARG . 36431 1 61 531 MET . 36431 1 62 532 LYS . 36431 1 63 533 SER . 36431 1 64 534 GLN . 36431 1 65 535 ALA . 36431 1 66 536 PHE . 36431 1 67 537 ILE . 36431 1 68 538 GLU . 36431 1 69 539 MET . 36431 1 70 540 GLU . 36431 1 71 541 THR . 36431 1 72 542 ARG . 36431 1 73 543 GLU . 36431 1 74 544 ASP . 36431 1 75 545 ALA . 36431 1 76 546 MET . 36431 1 77 547 ALA . 36431 1 78 548 MET . 36431 1 79 549 VAL . 36431 1 80 550 ASP . 36431 1 81 551 HIS . 36431 1 82 552 CYS . 36431 1 83 553 LEU . 36431 1 84 554 LYS . 36431 1 85 555 LYS . 36431 1 86 556 ALA . 36431 1 87 557 LEU . 36431 1 88 558 TRP . 36431 1 89 559 PHE . 36431 1 90 560 GLN . 36431 1 91 561 GLY . 36431 1 92 562 ARG . 36431 1 93 563 CYS . 36431 1 94 564 VAL . 36431 1 95 565 LYS . 36431 1 96 566 VAL . 36431 1 97 567 ASP . 36431 1 98 568 LEU . 36431 1 99 569 SER . 36431 1 100 570 GLU . 36431 1 101 571 LYS . 36431 1 102 572 TYR . 36431 1 103 573 LYS . 36431 1 104 574 LYS . 36431 1 105 575 LEU . 36431 1 106 576 VAL . 36431 1 107 577 SER . 36431 1 108 578 GLY . 36431 1 109 . PRO . 36431 1 110 . SER . 36431 1 111 . SER . 36431 1 112 . GLY . 36431 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 36431 1 . SER 2 2 36431 1 . SER 3 3 36431 1 . GLY 4 4 36431 1 . SER 5 5 36431 1 . SER 6 6 36431 1 . GLY 7 7 36431 1 . LYS 8 8 36431 1 . LYS 9 9 36431 1 . PRO 10 10 36431 1 . GLU 11 11 36431 1 . GLY 12 12 36431 1 . LYS 13 13 36431 1 . PRO 14 14 36431 1 . ASP 15 15 36431 1 . GLN 16 16 36431 1 . LYS 17 17 36431 1 . PHE 18 18 36431 1 . ASP 19 19 36431 1 . GLN 20 20 36431 1 . LYS 21 21 36431 1 . GLN 22 22 36431 1 . GLU 23 23 36431 1 . LEU 24 24 36431 1 . GLY 25 25 36431 1 . ARG 26 26 36431 1 . VAL 27 27 36431 1 . ILE 28 28 36431 1 . HIS 29 29 36431 1 . LEU 30 30 36431 1 . SER 31 31 36431 1 . ASN 32 32 36431 1 . LEU 33 33 36431 1 . PRO 34 34 36431 1 . HIS 35 35 36431 1 . SER 36 36 36431 1 . GLY 37 37 36431 1 . TYR 38 38 36431 1 . SER 39 39 36431 1 . ASP 40 40 36431 1 . SER 41 41 36431 1 . ALA 42 42 36431 1 . VAL 43 43 36431 1 . LEU 44 44 36431 1 . LYS 45 45 36431 1 . LEU 46 46 36431 1 . ALA 47 47 36431 1 . GLU 48 48 36431 1 . PRO 49 49 36431 1 . TYR 50 50 36431 1 . GLY 51 51 36431 1 . LYS 52 52 36431 1 . ILE 53 53 36431 1 . LYS 54 54 36431 1 . ASN 55 55 36431 1 . TYR 56 56 36431 1 . ILE 57 57 36431 1 . LEU 58 58 36431 1 . MET 59 59 36431 1 . ARG 60 60 36431 1 . MET 61 61 36431 1 . LYS 62 62 36431 1 . SER 63 63 36431 1 . GLN 64 64 36431 1 . ALA 65 65 36431 1 . PHE 66 66 36431 1 . ILE 67 67 36431 1 . GLU 68 68 36431 1 . MET 69 69 36431 1 . GLU 70 70 36431 1 . THR 71 71 36431 1 . ARG 72 72 36431 1 . GLU 73 73 36431 1 . ASP 74 74 36431 1 . ALA 75 75 36431 1 . MET 76 76 36431 1 . ALA 77 77 36431 1 . MET 78 78 36431 1 . VAL 79 79 36431 1 . ASP 80 80 36431 1 . HIS 81 81 36431 1 . CYS 82 82 36431 1 . LEU 83 83 36431 1 . LYS 84 84 36431 1 . LYS 85 85 36431 1 . ALA 86 86 36431 1 . LEU 87 87 36431 1 . TRP 88 88 36431 1 . PHE 89 89 36431 1 . GLN 90 90 36431 1 . GLY 91 91 36431 1 . ARG 92 92 36431 1 . CYS 93 93 36431 1 . VAL 94 94 36431 1 . LYS 95 95 36431 1 . VAL 96 96 36431 1 . ASP 97 97 36431 1 . LEU 98 98 36431 1 . SER 99 99 36431 1 . GLU 100 100 36431 1 . LYS 101 101 36431 1 . TYR 102 102 36431 1 . LYS 103 103 36431 1 . LYS 104 104 36431 1 . LEU 105 105 36431 1 . VAL 106 106 36431 1 . SER 107 107 36431 1 . GLY 108 108 36431 1 . PRO 109 109 36431 1 . SER 110 110 36431 1 . SER 111 111 36431 1 . GLY 112 112 36431 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 36431 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Matr3 . 36431 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 36431 _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' 'Cell-free gateway cloning vector N-term 8xHis eGFP pCellFree_G03' . . 1508207 . . . . . . . . . . . . 36431 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36431 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] RNA binding protein, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA binding protein' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36431 1 2 Tris-Hcl '[U-100% 2H]' . . . . . buffer 20 . . mM . . . . 36431 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 36431 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36431 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36431 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 36431 _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' 100 . mM 36431 1 pH 7 . pH 36431 1 pressure 1 . atm 36431 1 temperature 298 . K 36431 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36431 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 12 _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' . . 36431 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36431 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36431 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.0.17 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36431 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36431 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36431 _Software.ID 3 _Software.Type . _Software.Name KUJIRA _Software.Version 0.863 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi, T. Kigawa, S. Yokoyama' . . 36431 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36431 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36431 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36431 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36431 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36431 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36431 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36431 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36431 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 36431 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 36431 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36431 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36431 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36431 7 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 36431 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 36431 _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 AVANCE . 800 . . . 36431 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 36431 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D_13C,15N-SEPARATED_NOESY SPECTRA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36431 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 36431 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.821ppm at 298K) and then those of 15N and 13C were calculated based on their gyro-magnetic ratios. ; 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 water protons . . . . ppm 4.821 internal indirect 0.251449530 . . . . . 36431 1 H 1 water protons . . . . ppm 4.821 internal direct 1.0 . . . . . 36431 1 N 15 water protons . . . . ppm 4.821 internal indirect 0.101329118 . . . . . 36431 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 36431 _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 '3D_13C,15N-SEPARATED_NOESY SPECTRA' 1 $sample_1 isotropic 36431 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 7 7 GLY HA2 H 1 3.939 0.030 . 1 . . . . A 477 GLY HA2 . 36431 1 2 . 1 . 1 7 7 GLY HA3 H 1 3.939 0.030 . 1 . . . . A 477 GLY HA3 . 36431 1 3 . 1 . 1 7 7 GLY C C 13 173.799 0.300 . 1 . . . . A 477 GLY C . 36431 1 4 . 1 . 1 7 7 GLY CA C 13 45.272 0.300 . 1 . . . . A 477 GLY CA . 36431 1 5 . 1 . 1 8 8 LYS H H 1 8.070 0.030 . 1 . . . . A 478 LYS H . 36431 1 6 . 1 . 1 8 8 LYS HA H 1 4.289 0.030 . 1 . . . . A 478 LYS HA . 36431 1 7 . 1 . 1 8 8 LYS HB2 H 1 1.714 0.030 . 1 . . . . A 478 LYS HB2 . 36431 1 8 . 1 . 1 8 8 LYS HB3 H 1 1.714 0.030 . 1 . . . . A 478 LYS HB3 . 36431 1 9 . 1 . 1 8 8 LYS HG2 H 1 1.364 0.030 . 1 . . . . A 478 LYS HG2 . 36431 1 10 . 1 . 1 8 8 LYS HG3 H 1 1.364 0.030 . 1 . . . . A 478 LYS HG3 . 36431 1 11 . 1 . 1 8 8 LYS HD2 H 1 1.641 0.030 . 1 . . . . A 478 LYS HD2 . 36431 1 12 . 1 . 1 8 8 LYS HD3 H 1 1.641 0.030 . 1 . . . . A 478 LYS HD3 . 36431 1 13 . 1 . 1 8 8 LYS HE2 H 1 2.959 0.030 . 1 . . . . A 478 LYS HE2 . 36431 1 14 . 1 . 1 8 8 LYS HE3 H 1 2.959 0.030 . 1 . . . . A 478 LYS HE3 . 36431 1 15 . 1 . 1 8 8 LYS C C 13 176.407 0.300 . 1 . . . . A 478 LYS C . 36431 1 16 . 1 . 1 8 8 LYS CA C 13 55.980 0.300 . 1 . . . . A 478 LYS CA . 36431 1 17 . 1 . 1 8 8 LYS CB C 13 33.179 0.300 . 1 . . . . A 478 LYS CB . 36431 1 18 . 1 . 1 8 8 LYS CG C 13 24.671 0.300 . 1 . . . . A 478 LYS CG . 36431 1 19 . 1 . 1 8 8 LYS CD C 13 29.031 0.300 . 1 . . . . A 478 LYS CD . 36431 1 20 . 1 . 1 8 8 LYS CE C 13 42.113 0.300 . 1 . . . . A 478 LYS CE . 36431 1 21 . 1 . 1 8 8 LYS N N 15 121.014 0.300 . 1 . . . . A 478 LYS N . 36431 1 22 . 1 . 1 9 9 LYS H H 1 8.421 0.030 . 1 . . . . A 479 LYS H . 36431 1 23 . 1 . 1 9 9 LYS C C 13 174.548 0.300 . 1 . . . . A 479 LYS C . 36431 1 24 . 1 . 1 9 9 LYS CA C 13 54.293 0.300 . 1 . . . . A 479 LYS CA . 36431 1 25 . 1 . 1 9 9 LYS CB C 13 32.445 0.300 . 1 . . . . A 479 LYS CB . 36431 1 26 . 1 . 1 9 9 LYS N N 15 125.007 0.300 . 1 . . . . A 479 LYS N . 36431 1 27 . 1 . 1 10 10 PRO HA H 1 4.391 0.030 . 1 . . . . A 480 PRO HA . 36431 1 28 . 1 . 1 10 10 PRO HB2 H 1 1.880 0.030 . 2 . . . . A 480 PRO HB2 . 36431 1 29 . 1 . 1 10 10 PRO HB3 H 1 2.257 0.030 . 2 . . . . A 480 PRO HB3 . 36431 1 30 . 1 . 1 10 10 PRO HG2 H 1 1.983 0.030 . 1 . . . . A 480 PRO HG2 . 36431 1 31 . 1 . 1 10 10 PRO HG3 H 1 1.983 0.030 . 1 . . . . A 480 PRO HG3 . 36431 1 32 . 1 . 1 10 10 PRO HD2 H 1 3.806 0.030 . 2 . . . . A 480 PRO HD2 . 36431 1 33 . 1 . 1 10 10 PRO HD3 H 1 3.627 0.030 . 2 . . . . A 480 PRO HD3 . 36431 1 34 . 1 . 1 10 10 PRO C C 13 176.853 0.300 . 1 . . . . A 480 PRO C . 36431 1 35 . 1 . 1 10 10 PRO CA C 13 63.157 0.300 . 1 . . . . A 480 PRO CA . 36431 1 36 . 1 . 1 10 10 PRO CB C 13 32.021 0.300 . 1 . . . . A 480 PRO CB . 36431 1 37 . 1 . 1 10 10 PRO CG C 13 27.360 0.300 . 1 . . . . A 480 PRO CG . 36431 1 38 . 1 . 1 10 10 PRO CD C 13 50.670 0.300 . 1 . . . . A 480 PRO CD . 36431 1 39 . 1 . 1 11 11 GLU H H 1 8.541 0.030 . 1 . . . . A 481 GLU H . 36431 1 40 . 1 . 1 11 11 GLU HA H 1 4.264 0.030 . 1 . . . . A 481 GLU HA . 36431 1 41 . 1 . 1 11 11 GLU HB2 H 1 1.961 0.030 . 1 . . . . A 481 GLU HB2 . 36431 1 42 . 1 . 1 11 11 GLU HB3 H 1 1.961 0.030 . 1 . . . . A 481 GLU HB3 . 36431 1 43 . 1 . 1 11 11 GLU HG2 H 1 2.262 0.030 . 1 . . . . A 481 GLU HG2 . 36431 1 44 . 1 . 1 11 11 GLU HG3 H 1 2.262 0.030 . 1 . . . . A 481 GLU HG3 . 36431 1 45 . 1 . 1 11 11 GLU C C 13 176.925 0.300 . 1 . . . . A 481 GLU C . 36431 1 46 . 1 . 1 11 11 GLU CA C 13 56.562 0.300 . 1 . . . . A 481 GLU CA . 36431 1 47 . 1 . 1 11 11 GLU CB C 13 30.564 0.300 . 1 . . . . A 481 GLU CB . 36431 1 48 . 1 . 1 11 11 GLU CG C 13 36.272 0.300 . 1 . . . . A 481 GLU CG . 36431 1 49 . 1 . 1 11 11 GLU N N 15 121.851 0.300 . 1 . . . . A 481 GLU N . 36431 1 50 . 1 . 1 12 12 GLY H H 1 8.392 0.030 . 1 . . . . A 482 GLY H . 36431 1 51 . 1 . 1 12 12 GLY HA2 H 1 3.974 0.030 . 2 . . . . A 482 GLY HA2 . 36431 1 52 . 1 . 1 12 12 GLY HA3 H 1 3.861 0.030 . 2 . . . . A 482 GLY HA3 . 36431 1 53 . 1 . 1 12 12 GLY C C 13 173.563 0.300 . 1 . . . . A 482 GLY C . 36431 1 54 . 1 . 1 12 12 GLY CA C 13 45.085 0.300 . 1 . . . . A 482 GLY CA . 36431 1 55 . 1 . 1 12 12 GLY N N 15 110.046 0.300 . 1 . . . . A 482 GLY N . 36431 1 56 . 1 . 1 13 13 LYS H H 1 8.199 0.030 . 1 . . . . A 483 LYS H . 36431 1 57 . 1 . 1 13 13 LYS HA H 1 4.614 0.030 . 1 . . . . A 483 LYS HA . 36431 1 58 . 1 . 1 13 13 LYS HB2 H 1 1.816 0.030 . 1 . . . . A 483 LYS HB2 . 36431 1 59 . 1 . 1 13 13 LYS HB3 H 1 1.816 0.030 . 1 . . . . A 483 LYS HB3 . 36431 1 60 . 1 . 1 13 13 LYS C C 13 174.789 0.300 . 1 . . . . A 483 LYS C . 36431 1 61 . 1 . 1 13 13 LYS CA C 13 54.120 0.300 . 1 . . . . A 483 LYS CA . 36431 1 62 . 1 . 1 13 13 LYS CB C 13 32.670 0.300 . 1 . . . . A 483 LYS CB . 36431 1 63 . 1 . 1 13 13 LYS N N 15 122.030 0.300 . 1 . . . . A 483 LYS N . 36431 1 64 . 1 . 1 14 14 PRO HA H 1 4.393 0.030 . 1 . . . . A 484 PRO HA . 36431 1 65 . 1 . 1 14 14 PRO HB2 H 1 1.891 0.030 . 2 . . . . A 484 PRO HB2 . 36431 1 66 . 1 . 1 14 14 PRO HB3 H 1 2.244 0.030 . 2 . . . . A 484 PRO HB3 . 36431 1 67 . 1 . 1 14 14 PRO HG2 H 1 1.959 0.030 . 1 . . . . A 484 PRO HG2 . 36431 1 68 . 1 . 1 14 14 PRO HG3 H 1 1.959 0.030 . 1 . . . . A 484 PRO HG3 . 36431 1 69 . 1 . 1 14 14 PRO HD2 H 1 3.799 0.030 . 2 . . . . A 484 PRO HD2 . 36431 1 70 . 1 . 1 14 14 PRO HD3 H 1 3.623 0.030 . 2 . . . . A 484 PRO HD3 . 36431 1 71 . 1 . 1 14 14 PRO C C 13 176.638 0.300 . 1 . . . . A 484 PRO C . 36431 1 72 . 1 . 1 14 14 PRO CA C 13 63.256 0.300 . 1 . . . . A 484 PRO CA . 36431 1 73 . 1 . 1 14 14 PRO CB C 13 32.066 0.300 . 1 . . . . A 484 PRO CB . 36431 1 74 . 1 . 1 14 14 PRO CG C 13 27.124 0.300 . 1 . . . . A 484 PRO CG . 36431 1 75 . 1 . 1 14 14 PRO CD C 13 50.670 0.300 . 1 . . . . A 484 PRO CD . 36431 1 76 . 1 . 1 15 15 ASP H H 1 8.417 0.030 . 1 . . . . A 485 ASP H . 36431 1 77 . 1 . 1 15 15 ASP HA H 1 4.500 0.030 . 1 . . . . A 485 ASP HA . 36431 1 78 . 1 . 1 15 15 ASP HB2 H 1 2.661 0.030 . 2 . . . . A 485 ASP HB2 . 36431 1 79 . 1 . 1 15 15 ASP HB3 H 1 2.605 0.030 . 2 . . . . A 485 ASP HB3 . 36431 1 80 . 1 . 1 15 15 ASP C C 13 176.206 0.300 . 1 . . . . A 485 ASP C . 36431 1 81 . 1 . 1 15 15 ASP CA C 13 54.307 0.300 . 1 . . . . A 485 ASP CA . 36431 1 82 . 1 . 1 15 15 ASP CB C 13 41.110 0.300 . 1 . . . . A 485 ASP CB . 36431 1 83 . 1 . 1 15 15 ASP N N 15 120.221 0.300 . 1 . . . . A 485 ASP N . 36431 1 84 . 1 . 1 17 17 LYS HA H 1 4.209 0.030 . 1 . . . . A 487 LYS HA . 36431 1 85 . 1 . 1 17 17 LYS HB2 H 1 1.649 0.030 . 1 . . . . A 487 LYS HB2 . 36431 1 86 . 1 . 1 17 17 LYS HB3 H 1 1.649 0.030 . 1 . . . . A 487 LYS HB3 . 36431 1 87 . 1 . 1 17 17 LYS HG2 H 1 1.263 0.030 . 1 . . . . A 487 LYS HG2 . 36431 1 88 . 1 . 1 17 17 LYS HG3 H 1 1.263 0.030 . 1 . . . . A 487 LYS HG3 . 36431 1 89 . 1 . 1 17 17 LYS HD2 H 1 1.607 0.030 . 1 . . . . A 487 LYS HD2 . 36431 1 90 . 1 . 1 17 17 LYS HD3 H 1 1.607 0.030 . 1 . . . . A 487 LYS HD3 . 36431 1 91 . 1 . 1 17 17 LYS HE2 H 1 2.614 0.030 . 2 . . . . A 487 LYS HE2 . 36431 1 92 . 1 . 1 17 17 LYS HE3 H 1 2.900 0.030 . 2 . . . . A 487 LYS HE3 . 36431 1 93 . 1 . 1 17 17 LYS CA C 13 56.182 0.300 . 1 . . . . A 487 LYS CA . 36431 1 94 . 1 . 1 17 17 LYS CB C 13 32.822 0.300 . 1 . . . . A 487 LYS CB . 36431 1 95 . 1 . 1 17 17 LYS CG C 13 24.589 0.300 . 1 . . . . A 487 LYS CG . 36431 1 96 . 1 . 1 17 17 LYS CD C 13 28.949 0.300 . 1 . . . . A 487 LYS CD . 36431 1 97 . 1 . 1 17 17 LYS CE C 13 41.784 0.300 . 1 . . . . A 487 LYS CE . 36431 1 98 . 1 . 1 18 18 PHE H H 1 8.211 0.030 . 1 . . . . A 488 PHE H . 36431 1 99 . 1 . 1 18 18 PHE HA H 1 4.595 0.030 . 1 . . . . A 488 PHE HA . 36431 1 100 . 1 . 1 18 18 PHE HB2 H 1 3.139 0.030 . 2 . . . . A 488 PHE HB2 . 36431 1 101 . 1 . 1 18 18 PHE HB3 H 1 2.979 0.030 . 2 . . . . A 488 PHE HB3 . 36431 1 102 . 1 . 1 18 18 PHE HD1 H 1 7.227 0.030 . 1 . . . . A 488 PHE HD1 . 36431 1 103 . 1 . 1 18 18 PHE HD2 H 1 7.227 0.030 . 1 . . . . A 488 PHE HD2 . 36431 1 104 . 1 . 1 18 18 PHE HE1 H 1 7.315 0.030 . 1 . . . . A 488 PHE HE1 . 36431 1 105 . 1 . 1 18 18 PHE HE2 H 1 7.315 0.030 . 1 . . . . A 488 PHE HE2 . 36431 1 106 . 1 . 1 18 18 PHE HZ H 1 7.257 0.030 . 1 . . . . A 488 PHE HZ . 36431 1 107 . 1 . 1 18 18 PHE CA C 13 57.733 0.300 . 1 . . . . A 488 PHE CA . 36431 1 108 . 1 . 1 18 18 PHE CB C 13 39.632 0.300 . 1 . . . . A 488 PHE CB . 36431 1 109 . 1 . 1 18 18 PHE CD1 C 13 131.907 0.300 . 1 . . . . A 488 PHE CD1 . 36431 1 110 . 1 . 1 18 18 PHE CD2 C 13 131.907 0.300 . 1 . . . . A 488 PHE CD2 . 36431 1 111 . 1 . 1 18 18 PHE CE1 C 13 131.556 0.300 . 1 . . . . A 488 PHE CE1 . 36431 1 112 . 1 . 1 18 18 PHE CE2 C 13 131.556 0.300 . 1 . . . . A 488 PHE CE2 . 36431 1 113 . 1 . 1 18 18 PHE CZ C 13 129.742 0.300 . 1 . . . . A 488 PHE CZ . 36431 1 114 . 1 . 1 18 18 PHE N N 15 121.037 0.300 . 1 . . . . A 488 PHE N . 36431 1 115 . 1 . 1 19 19 ASP HA H 1 4.495 0.030 . 1 . . . . A 489 ASP HA . 36431 1 116 . 1 . 1 19 19 ASP HB2 H 1 2.623 0.030 . 1 . . . . A 489 ASP HB2 . 36431 1 117 . 1 . 1 19 19 ASP HB3 H 1 2.623 0.030 . 1 . . . . A 489 ASP HB3 . 36431 1 118 . 1 . 1 19 19 ASP CA C 13 54.360 0.300 . 1 . . . . A 489 ASP CA . 36431 1 119 . 1 . 1 19 19 ASP CB C 13 41.125 0.300 . 1 . . . . A 489 ASP CB . 36431 1 120 . 1 . 1 20 20 GLN H H 1 8.260 0.030 . 1 . . . . A 490 GLN H . 36431 1 121 . 1 . 1 20 20 GLN HA H 1 4.222 0.030 . 1 . . . . A 490 GLN HA . 36431 1 122 . 1 . 1 20 20 GLN HB2 H 1 2.111 0.030 . 2 . . . . A 490 GLN HB2 . 36431 1 123 . 1 . 1 20 20 GLN HB3 H 1 1.964 0.030 . 2 . . . . A 490 GLN HB3 . 36431 1 124 . 1 . 1 20 20 GLN HG2 H 1 2.337 0.030 . 1 . . . . A 490 GLN HG2 . 36431 1 125 . 1 . 1 20 20 GLN HG3 H 1 2.337 0.030 . 1 . . . . A 490 GLN HG3 . 36431 1 126 . 1 . 1 20 20 GLN HE21 H 1 7.508 0.030 . 2 . . . . A 490 GLN HE21 . 36431 1 127 . 1 . 1 20 20 GLN HE22 H 1 6.861 0.030 . 2 . . . . A 490 GLN HE22 . 36431 1 128 . 1 . 1 20 20 GLN CA C 13 56.351 0.300 . 1 . . . . A 490 GLN CA . 36431 1 129 . 1 . 1 20 20 GLN CB C 13 29.264 0.300 . 1 . . . . A 490 GLN CB . 36431 1 130 . 1 . 1 20 20 GLN CG C 13 33.886 0.300 . 1 . . . . A 490 GLN CG . 36431 1 131 . 1 . 1 20 20 GLN N N 15 122.157 0.300 . 1 . . . . A 490 GLN N . 36431 1 132 . 1 . 1 20 20 GLN NE2 N 15 112.612 0.300 . 1 . . . . A 490 GLN NE2 . 36431 1 133 . 1 . 1 21 21 LYS H H 1 8.329 0.030 . 1 . . . . A 491 LYS H . 36431 1 134 . 1 . 1 21 21 LYS HA H 1 4.210 0.030 . 1 . . . . A 491 LYS HA . 36431 1 135 . 1 . 1 21 21 LYS HB2 H 1 1.799 0.030 . 1 . . . . A 491 LYS HB2 . 36431 1 136 . 1 . 1 21 21 LYS HB3 H 1 1.799 0.030 . 1 . . . . A 491 LYS HB3 . 36431 1 137 . 1 . 1 21 21 LYS HG2 H 1 1.397 0.030 . 1 . . . . A 491 LYS HG2 . 36431 1 138 . 1 . 1 21 21 LYS HG3 H 1 1.397 0.030 . 1 . . . . A 491 LYS HG3 . 36431 1 139 . 1 . 1 21 21 LYS HD2 H 1 1.674 0.030 . 1 . . . . A 491 LYS HD2 . 36431 1 140 . 1 . 1 21 21 LYS HD3 H 1 1.674 0.030 . 1 . . . . A 491 LYS HD3 . 36431 1 141 . 1 . 1 21 21 LYS HE2 H 1 2.950 0.030 . 1 . . . . A 491 LYS HE2 . 36431 1 142 . 1 . 1 21 21 LYS HE3 H 1 2.950 0.030 . 1 . . . . A 491 LYS HE3 . 36431 1 143 . 1 . 1 21 21 LYS CA C 13 56.902 0.300 . 1 . . . . A 491 LYS CA . 36431 1 144 . 1 . 1 21 21 LYS CB C 13 32.569 0.300 . 1 . . . . A 491 LYS CB . 36431 1 145 . 1 . 1 21 21 LYS CG C 13 24.753 0.300 . 1 . . . . A 491 LYS CG . 36431 1 146 . 1 . 1 21 21 LYS CD C 13 29.031 0.300 . 1 . . . . A 491 LYS CD . 36431 1 147 . 1 . 1 21 21 LYS CE C 13 42.113 0.300 . 1 . . . . A 491 LYS CE . 36431 1 148 . 1 . 1 21 21 LYS N N 15 121.671 0.300 . 1 . . . . A 491 LYS N . 36431 1 149 . 1 . 1 22 22 GLN H H 1 8.211 0.030 . 1 . . . . A 492 GLN H . 36431 1 150 . 1 . 1 22 22 GLN HA H 1 4.272 0.030 . 1 . . . . A 492 GLN HA . 36431 1 151 . 1 . 1 22 22 GLN HB2 H 1 1.928 0.030 . 1 . . . . A 492 GLN HB2 . 36431 1 152 . 1 . 1 22 22 GLN HB3 H 1 1.928 0.030 . 1 . . . . A 492 GLN HB3 . 36431 1 153 . 1 . 1 22 22 GLN HG2 H 1 2.297 0.030 . 1 . . . . A 492 GLN HG2 . 36431 1 154 . 1 . 1 22 22 GLN HG3 H 1 2.297 0.030 . 1 . . . . A 492 GLN HG3 . 36431 1 155 . 1 . 1 22 22 GLN HE21 H 1 7.507 0.030 . 2 . . . . A 492 GLN HE21 . 36431 1 156 . 1 . 1 22 22 GLN HE22 H 1 6.860 0.030 . 2 . . . . A 492 GLN HE22 . 36431 1 157 . 1 . 1 22 22 GLN CA C 13 55.771 0.300 . 1 . . . . A 492 GLN CA . 36431 1 158 . 1 . 1 22 22 GLN CB C 13 29.525 0.300 . 1 . . . . A 492 GLN CB . 36431 1 159 . 1 . 1 22 22 GLN CG C 13 33.835 0.300 . 1 . . . . A 492 GLN CG . 36431 1 160 . 1 . 1 22 22 GLN N N 15 120.251 0.300 . 1 . . . . A 492 GLN N . 36431 1 161 . 1 . 1 22 22 GLN NE2 N 15 112.612 0.300 . 1 . . . . A 492 GLN NE2 . 36431 1 162 . 1 . 1 23 23 GLU HA H 1 4.300 0.030 . 1 . . . . A 493 GLU HA . 36431 1 163 . 1 . 1 23 23 GLU HB2 H 1 1.996 0.030 . 2 . . . . A 493 GLU HB2 . 36431 1 164 . 1 . 1 23 23 GLU HB3 H 1 1.897 0.030 . 2 . . . . A 493 GLU HB3 . 36431 1 165 . 1 . 1 23 23 GLU HG2 H 1 2.166 0.030 . 1 . . . . A 493 GLU HG2 . 36431 1 166 . 1 . 1 23 23 GLU HG3 H 1 2.166 0.030 . 1 . . . . A 493 GLU HG3 . 36431 1 167 . 1 . 1 23 23 GLU C C 13 176.028 0.300 . 1 . . . . A 493 GLU C . 36431 1 168 . 1 . 1 23 23 GLU CA C 13 56.028 0.300 . 1 . . . . A 493 GLU CA . 36431 1 169 . 1 . 1 23 23 GLU CB C 13 30.496 0.300 . 1 . . . . A 493 GLU CB . 36431 1 170 . 1 . 1 23 23 GLU CG C 13 36.272 0.300 . 1 . . . . A 493 GLU CG . 36431 1 171 . 1 . 1 24 24 LEU H H 1 8.278 0.030 . 1 . . . . A 494 LEU H . 36431 1 172 . 1 . 1 24 24 LEU HA H 1 4.401 0.030 . 1 . . . . A 494 LEU HA . 36431 1 173 . 1 . 1 24 24 LEU HB2 H 1 1.386 0.030 . 2 . . . . A 494 LEU HB2 . 36431 1 174 . 1 . 1 24 24 LEU HB3 H 1 1.700 0.030 . 2 . . . . A 494 LEU HB3 . 36431 1 175 . 1 . 1 24 24 LEU HG H 1 1.657 0.030 . 1 . . . . A 494 LEU HG . 36431 1 176 . 1 . 1 24 24 LEU HD11 H 1 0.904 0.030 . 2 . . . . A 494 LEU HD11 . 36431 1 177 . 1 . 1 24 24 LEU HD12 H 1 0.904 0.030 . 2 . . . . A 494 LEU HD12 . 36431 1 178 . 1 . 1 24 24 LEU HD13 H 1 0.904 0.030 . 2 . . . . A 494 LEU HD13 . 36431 1 179 . 1 . 1 24 24 LEU HD21 H 1 0.816 0.030 . 2 . . . . A 494 LEU HD21 . 36431 1 180 . 1 . 1 24 24 LEU HD22 H 1 0.816 0.030 . 2 . . . . A 494 LEU HD22 . 36431 1 181 . 1 . 1 24 24 LEU HD23 H 1 0.816 0.030 . 2 . . . . A 494 LEU HD23 . 36431 1 182 . 1 . 1 24 24 LEU C C 13 177.813 0.300 . 1 . . . . A 494 LEU C . 36431 1 183 . 1 . 1 24 24 LEU CA C 13 54.657 0.300 . 1 . . . . A 494 LEU CA . 36431 1 184 . 1 . 1 24 24 LEU CB C 13 43.021 0.300 . 1 . . . . A 494 LEU CB . 36431 1 185 . 1 . 1 24 24 LEU CG C 13 26.947 0.300 . 1 . . . . A 494 LEU CG . 36431 1 186 . 1 . 1 24 24 LEU CD1 C 13 25.548 0.300 . 2 . . . . A 494 LEU CD1 . 36431 1 187 . 1 . 1 24 24 LEU CD2 C 13 22.750 0.300 . 2 . . . . A 494 LEU CD2 . 36431 1 188 . 1 . 1 24 24 LEU N N 15 123.154 0.300 . 1 . . . . A 494 LEU N . 36431 1 189 . 1 . 1 25 25 GLY H H 1 8.770 0.030 . 1 . . . . A 495 GLY H . 36431 1 190 . 1 . 1 25 25 GLY HA2 H 1 4.057 0.030 . 2 . . . . A 495 GLY HA2 . 36431 1 191 . 1 . 1 25 25 GLY HA3 H 1 4.255 0.030 . 2 . . . . A 495 GLY HA3 . 36431 1 192 . 1 . 1 25 25 GLY C C 13 173.333 0.300 . 1 . . . . A 495 GLY C . 36431 1 193 . 1 . 1 25 25 GLY CA C 13 46.449 0.300 . 1 . . . . A 495 GLY CA . 36431 1 194 . 1 . 1 25 25 GLY N N 15 109.308 0.300 . 1 . . . . A 495 GLY N . 36431 1 195 . 1 . 1 26 26 ARG H H 1 7.906 0.030 . 1 . . . . A 496 ARG H . 36431 1 196 . 1 . 1 26 26 ARG HA H 1 4.470 0.030 . 1 . . . . A 496 ARG HA . 36431 1 197 . 1 . 1 26 26 ARG HB2 H 1 1.889 0.030 . 2 . . . . A 496 ARG HB2 . 36431 1 198 . 1 . 1 26 26 ARG HB3 H 1 1.707 0.030 . 2 . . . . A 496 ARG HB3 . 36431 1 199 . 1 . 1 26 26 ARG HG2 H 1 1.758 0.030 . 2 . . . . A 496 ARG HG2 . 36431 1 200 . 1 . 1 26 26 ARG HG3 H 1 1.348 0.030 . 2 . . . . A 496 ARG HG3 . 36431 1 201 . 1 . 1 26 26 ARG HD2 H 1 3.160 0.030 . 2 . . . . A 496 ARG HD2 . 36431 1 202 . 1 . 1 26 26 ARG HD3 H 1 3.102 0.030 . 2 . . . . A 496 ARG HD3 . 36431 1 203 . 1 . 1 26 26 ARG C C 13 173.730 0.300 . 1 . . . . A 496 ARG C . 36431 1 204 . 1 . 1 26 26 ARG CA C 13 54.930 0.300 . 1 . . . . A 496 ARG CA . 36431 1 205 . 1 . 1 26 26 ARG CB C 13 31.335 0.300 . 1 . . . . A 496 ARG CB . 36431 1 206 . 1 . 1 26 26 ARG CG C 13 27.579 0.300 . 1 . . . . A 496 ARG CG . 36431 1 207 . 1 . 1 26 26 ARG CD C 13 43.997 0.300 . 1 . . . . A 496 ARG CD . 36431 1 208 . 1 . 1 26 26 ARG N N 15 117.497 0.300 . 1 . . . . A 496 ARG N . 36431 1 209 . 1 . 1 27 27 VAL H H 1 8.721 0.030 . 1 . . . . A 497 VAL H . 36431 1 210 . 1 . 1 27 27 VAL HA H 1 4.696 0.030 . 1 . . . . A 497 VAL HA . 36431 1 211 . 1 . 1 27 27 VAL HB H 1 2.329 0.030 . 1 . . . . A 497 VAL HB . 36431 1 212 . 1 . 1 27 27 VAL HG11 H 1 0.880 0.030 . 2 . . . . A 497 VAL HG11 . 36431 1 213 . 1 . 1 27 27 VAL HG12 H 1 0.880 0.030 . 2 . . . . A 497 VAL HG12 . 36431 1 214 . 1 . 1 27 27 VAL HG13 H 1 0.880 0.030 . 2 . . . . A 497 VAL HG13 . 36431 1 215 . 1 . 1 27 27 VAL HG21 H 1 0.530 0.030 . 2 . . . . A 497 VAL HG21 . 36431 1 216 . 1 . 1 27 27 VAL HG22 H 1 0.530 0.030 . 2 . . . . A 497 VAL HG22 . 36431 1 217 . 1 . 1 27 27 VAL HG23 H 1 0.530 0.030 . 2 . . . . A 497 VAL HG23 . 36431 1 218 . 1 . 1 27 27 VAL C C 13 174.774 0.300 . 1 . . . . A 497 VAL C . 36431 1 219 . 1 . 1 27 27 VAL CA C 13 61.500 0.300 . 1 . . . . A 497 VAL CA . 36431 1 220 . 1 . 1 27 27 VAL CB C 13 32.117 0.300 . 1 . . . . A 497 VAL CB . 36431 1 221 . 1 . 1 27 27 VAL CG1 C 13 23.117 0.300 . 2 . . . . A 497 VAL CG1 . 36431 1 222 . 1 . 1 27 27 VAL CG2 C 13 21.627 0.300 . 2 . . . . A 497 VAL CG2 . 36431 1 223 . 1 . 1 27 27 VAL N N 15 120.740 0.300 . 1 . . . . A 497 VAL N . 36431 1 224 . 1 . 1 28 28 ILE H H 1 9.428 0.030 . 1 . . . . A 498 ILE H . 36431 1 225 . 1 . 1 28 28 ILE HA H 1 4.449 0.030 . 1 . . . . A 498 ILE HA . 36431 1 226 . 1 . 1 28 28 ILE HB H 1 1.975 0.030 . 1 . . . . A 498 ILE HB . 36431 1 227 . 1 . 1 28 28 ILE HG12 H 1 1.652 0.030 . 2 . . . . A 498 ILE HG12 . 36431 1 228 . 1 . 1 28 28 ILE HG13 H 1 1.227 0.030 . 2 . . . . A 498 ILE HG13 . 36431 1 229 . 1 . 1 28 28 ILE HG21 H 1 0.821 0.030 . 1 . . . . A 498 ILE HG21 . 36431 1 230 . 1 . 1 28 28 ILE HG22 H 1 0.821 0.030 . 1 . . . . A 498 ILE HG22 . 36431 1 231 . 1 . 1 28 28 ILE HG23 H 1 0.821 0.030 . 1 . . . . A 498 ILE HG23 . 36431 1 232 . 1 . 1 28 28 ILE HD11 H 1 0.865 0.030 . 1 . . . . A 498 ILE HD11 . 36431 1 233 . 1 . 1 28 28 ILE HD12 H 1 0.865 0.030 . 1 . . . . A 498 ILE HD12 . 36431 1 234 . 1 . 1 28 28 ILE HD13 H 1 0.865 0.030 . 1 . . . . A 498 ILE HD13 . 36431 1 235 . 1 . 1 28 28 ILE C C 13 174.336 0.300 . 1 . . . . A 498 ILE C . 36431 1 236 . 1 . 1 28 28 ILE CA C 13 59.052 0.300 . 1 . . . . A 498 ILE CA . 36431 1 237 . 1 . 1 28 28 ILE CB C 13 39.154 0.300 . 1 . . . . A 498 ILE CB . 36431 1 238 . 1 . 1 28 28 ILE CG1 C 13 26.571 0.300 . 1 . . . . A 498 ILE CG1 . 36431 1 239 . 1 . 1 28 28 ILE CG2 C 13 18.230 0.300 . 1 . . . . A 498 ILE CG2 . 36431 1 240 . 1 . 1 28 28 ILE CD1 C 13 13.399 0.300 . 1 . . . . A 498 ILE CD1 . 36431 1 241 . 1 . 1 28 28 ILE N N 15 129.030 0.300 . 1 . . . . A 498 ILE N . 36431 1 242 . 1 . 1 29 29 HIS H H 1 9.671 0.030 . 1 . . . . A 499 HIS H . 36431 1 243 . 1 . 1 29 29 HIS HA H 1 5.271 0.030 . 1 . . . . A 499 HIS HA . 36431 1 244 . 1 . 1 29 29 HIS HB2 H 1 2.615 0.030 . 2 . . . . A 499 HIS HB2 . 36431 1 245 . 1 . 1 29 29 HIS HB3 H 1 3.234 0.030 . 2 . . . . A 499 HIS HB3 . 36431 1 246 . 1 . 1 29 29 HIS HD2 H 1 6.111 0.030 . 1 . . . . A 499 HIS HD2 . 36431 1 247 . 1 . 1 29 29 HIS HE1 H 1 7.844 0.030 . 1 . . . . A 499 HIS HE1 . 36431 1 248 . 1 . 1 29 29 HIS C C 13 174.498 0.300 . 1 . . . . A 499 HIS C . 36431 1 249 . 1 . 1 29 29 HIS CA C 13 52.328 0.300 . 1 . . . . A 499 HIS CA . 36431 1 250 . 1 . 1 29 29 HIS CB C 13 34.150 0.300 . 1 . . . . A 499 HIS CB . 36431 1 251 . 1 . 1 29 29 HIS CD2 C 13 116.843 0.300 . 1 . . . . A 499 HIS CD2 . 36431 1 252 . 1 . 1 29 29 HIS CE1 C 13 138.108 0.300 . 1 . . . . A 499 HIS CE1 . 36431 1 253 . 1 . 1 29 29 HIS N N 15 128.665 0.300 . 1 . . . . A 499 HIS N . 36431 1 254 . 1 . 1 30 30 LEU H H 1 9.099 0.030 . 1 . . . . A 500 LEU H . 36431 1 255 . 1 . 1 30 30 LEU HA H 1 5.330 0.030 . 1 . . . . A 500 LEU HA . 36431 1 256 . 1 . 1 30 30 LEU HB2 H 1 1.019 0.030 . 2 . . . . A 500 LEU HB2 . 36431 1 257 . 1 . 1 30 30 LEU HB3 H 1 1.501 0.030 . 2 . . . . A 500 LEU HB3 . 36431 1 258 . 1 . 1 30 30 LEU HG H 1 1.440 0.030 . 1 . . . . A 500 LEU HG . 36431 1 259 . 1 . 1 30 30 LEU HD11 H 1 0.546 0.030 . 2 . . . . A 500 LEU HD11 . 36431 1 260 . 1 . 1 30 30 LEU HD12 H 1 0.546 0.030 . 2 . . . . A 500 LEU HD12 . 36431 1 261 . 1 . 1 30 30 LEU HD13 H 1 0.546 0.030 . 2 . . . . A 500 LEU HD13 . 36431 1 262 . 1 . 1 30 30 LEU HD21 H 1 0.613 0.030 . 2 . . . . A 500 LEU HD21 . 36431 1 263 . 1 . 1 30 30 LEU HD22 H 1 0.613 0.030 . 2 . . . . A 500 LEU HD22 . 36431 1 264 . 1 . 1 30 30 LEU HD23 H 1 0.613 0.030 . 2 . . . . A 500 LEU HD23 . 36431 1 265 . 1 . 1 30 30 LEU C C 13 175.560 0.300 . 1 . . . . A 500 LEU C . 36431 1 266 . 1 . 1 30 30 LEU CA C 13 53.040 0.300 . 1 . . . . A 500 LEU CA . 36431 1 267 . 1 . 1 30 30 LEU CB C 13 43.339 0.300 . 1 . . . . A 500 LEU CB . 36431 1 268 . 1 . 1 30 30 LEU CG C 13 27.136 0.300 . 1 . . . . A 500 LEU CG . 36431 1 269 . 1 . 1 30 30 LEU CD1 C 13 26.397 0.300 . 2 . . . . A 500 LEU CD1 . 36431 1 270 . 1 . 1 30 30 LEU CD2 C 13 25.476 0.300 . 2 . . . . A 500 LEU CD2 . 36431 1 271 . 1 . 1 30 30 LEU N N 15 127.596 0.300 . 1 . . . . A 500 LEU N . 36431 1 272 . 1 . 1 31 31 SER H H 1 8.648 0.030 . 1 . . . . A 501 SER H . 36431 1 273 . 1 . 1 31 31 SER HA H 1 5.071 0.030 . 1 . . . . A 501 SER HA . 36431 1 274 . 1 . 1 31 31 SER HB2 H 1 3.739 0.030 . 2 . . . . A 501 SER HB2 . 36431 1 275 . 1 . 1 31 31 SER HB3 H 1 3.440 0.030 . 2 . . . . A 501 SER HB3 . 36431 1 276 . 1 . 1 31 31 SER C C 13 173.205 0.300 . 1 . . . . A 501 SER C . 36431 1 277 . 1 . 1 31 31 SER CA C 13 57.201 0.300 . 1 . . . . A 501 SER CA . 36431 1 278 . 1 . 1 31 31 SER CB C 13 65.278 0.300 . 1 . . . . A 501 SER CB . 36431 1 279 . 1 . 1 31 31 SER N N 15 115.059 0.300 . 1 . . . . A 501 SER N . 36431 1 280 . 1 . 1 32 32 ASN H H 1 8.868 0.030 . 1 . . . . A 502 ASN H . 36431 1 281 . 1 . 1 32 32 ASN HA H 1 4.380 0.030 . 1 . . . . A 502 ASN HA . 36431 1 282 . 1 . 1 32 32 ASN HB2 H 1 2.481 0.030 . 2 . . . . A 502 ASN HB2 . 36431 1 283 . 1 . 1 32 32 ASN HB3 H 1 3.659 0.030 . 2 . . . . A 502 ASN HB3 . 36431 1 284 . 1 . 1 32 32 ASN HD21 H 1 6.809 0.030 . 2 . . . . A 502 ASN HD21 . 36431 1 285 . 1 . 1 32 32 ASN HD22 H 1 7.922 0.030 . 2 . . . . A 502 ASN HD22 . 36431 1 286 . 1 . 1 32 32 ASN C C 13 175.113 0.300 . 1 . . . . A 502 ASN C . 36431 1 287 . 1 . 1 32 32 ASN CA C 13 54.568 0.300 . 1 . . . . A 502 ASN CA . 36431 1 288 . 1 . 1 32 32 ASN CB C 13 38.802 0.300 . 1 . . . . A 502 ASN CB . 36431 1 289 . 1 . 1 32 32 ASN N N 15 116.203 0.300 . 1 . . . . A 502 ASN N . 36431 1 290 . 1 . 1 32 32 ASN ND2 N 15 112.292 0.300 . 1 . . . . A 502 ASN ND2 . 36431 1 291 . 1 . 1 33 33 LEU H H 1 7.380 0.030 . 1 . . . . A 503 LEU H . 36431 1 292 . 1 . 1 33 33 LEU HA H 1 4.149 0.030 . 1 . . . . A 503 LEU HA . 36431 1 293 . 1 . 1 33 33 LEU HB2 H 1 1.233 0.030 . 2 . . . . A 503 LEU HB2 . 36431 1 294 . 1 . 1 33 33 LEU HB3 H 1 1.040 0.030 . 2 . . . . A 503 LEU HB3 . 36431 1 295 . 1 . 1 33 33 LEU HG H 1 1.190 0.030 . 1 . . . . A 503 LEU HG . 36431 1 296 . 1 . 1 33 33 LEU HD11 H 1 0.397 0.030 . 2 . . . . A 503 LEU HD11 . 36431 1 297 . 1 . 1 33 33 LEU HD12 H 1 0.397 0.030 . 2 . . . . A 503 LEU HD12 . 36431 1 298 . 1 . 1 33 33 LEU HD13 H 1 0.397 0.030 . 2 . . . . A 503 LEU HD13 . 36431 1 299 . 1 . 1 33 33 LEU HD21 H 1 0.442 0.030 . 2 . . . . A 503 LEU HD21 . 36431 1 300 . 1 . 1 33 33 LEU HD22 H 1 0.442 0.030 . 2 . . . . A 503 LEU HD22 . 36431 1 301 . 1 . 1 33 33 LEU HD23 H 1 0.442 0.030 . 2 . . . . A 503 LEU HD23 . 36431 1 302 . 1 . 1 33 33 LEU C C 13 174.156 0.300 . 1 . . . . A 503 LEU C . 36431 1 303 . 1 . 1 33 33 LEU CA C 13 53.994 0.300 . 1 . . . . A 503 LEU CA . 36431 1 304 . 1 . 1 33 33 LEU CB C 13 39.849 0.300 . 1 . . . . A 503 LEU CB . 36431 1 305 . 1 . 1 33 33 LEU CG C 13 27.468 0.300 . 1 . . . . A 503 LEU CG . 36431 1 306 . 1 . 1 33 33 LEU CD1 C 13 23.105 0.300 . 2 . . . . A 503 LEU CD1 . 36431 1 307 . 1 . 1 33 33 LEU CD2 C 13 25.883 0.300 . 2 . . . . A 503 LEU CD2 . 36431 1 308 . 1 . 1 33 33 LEU N N 15 113.459 0.300 . 1 . . . . A 503 LEU N . 36431 1 309 . 1 . 1 34 34 PRO HA H 1 4.418 0.030 . 1 . . . . A 504 PRO HA . 36431 1 310 . 1 . 1 34 34 PRO HB2 H 1 2.530 0.030 . 2 . . . . A 504 PRO HB2 . 36431 1 311 . 1 . 1 34 34 PRO HB3 H 1 2.128 0.030 . 2 . . . . A 504 PRO HB3 . 36431 1 312 . 1 . 1 34 34 PRO HG2 H 1 1.854 0.030 . 1 . . . . A 504 PRO HG2 . 36431 1 313 . 1 . 1 34 34 PRO HG3 H 1 1.854 0.030 . 1 . . . . A 504 PRO HG3 . 36431 1 314 . 1 . 1 34 34 PRO HD2 H 1 3.128 0.030 . 2 . . . . A 504 PRO HD2 . 36431 1 315 . 1 . 1 34 34 PRO HD3 H 1 3.551 0.030 . 2 . . . . A 504 PRO HD3 . 36431 1 316 . 1 . 1 34 34 PRO CA C 13 62.492 0.300 . 1 . . . . A 504 PRO CA . 36431 1 317 . 1 . 1 34 34 PRO CB C 13 31.751 0.300 . 1 . . . . A 504 PRO CB . 36431 1 318 . 1 . 1 34 34 PRO CG C 13 27.770 0.300 . 1 . . . . A 504 PRO CG . 36431 1 319 . 1 . 1 34 34 PRO CD C 13 49.684 0.300 . 1 . . . . A 504 PRO CD . 36431 1 320 . 1 . 1 35 35 HIS HA H 1 4.651 0.030 . 1 . . . . A 505 HIS HA . 36431 1 321 . 1 . 1 35 35 HIS HB2 H 1 3.156 0.030 . 1 . . . . A 505 HIS HB2 . 36431 1 322 . 1 . 1 35 35 HIS HB3 H 1 3.156 0.030 . 1 . . . . A 505 HIS HB3 . 36431 1 323 . 1 . 1 35 35 HIS HD2 H 1 7.072 0.030 . 1 . . . . A 505 HIS HD2 . 36431 1 324 . 1 . 1 35 35 HIS HE1 H 1 7.898 0.030 . 1 . . . . A 505 HIS HE1 . 36431 1 325 . 1 . 1 35 35 HIS C C 13 175.476 0.300 . 1 . . . . A 505 HIS C . 36431 1 326 . 1 . 1 35 35 HIS CA C 13 57.589 0.300 . 1 . . . . A 505 HIS CA . 36431 1 327 . 1 . 1 35 35 HIS CB C 13 30.754 0.300 . 1 . . . . A 505 HIS CB . 36431 1 328 . 1 . 1 35 35 HIS CD2 C 13 120.351 0.300 . 1 . . . . A 505 HIS CD2 . 36431 1 329 . 1 . 1 35 35 HIS CE1 C 13 137.610 0.300 . 1 . . . . A 505 HIS CE1 . 36431 1 330 . 1 . 1 36 36 SER H H 1 7.594 0.030 . 1 . . . . A 506 SER H . 36431 1 331 . 1 . 1 36 36 SER HA H 1 4.510 0.030 . 1 . . . . A 506 SER HA . 36431 1 332 . 1 . 1 36 36 SER HB2 H 1 3.850 0.030 . 2 . . . . A 506 SER HB2 . 36431 1 333 . 1 . 1 36 36 SER HB3 H 1 3.788 0.030 . 2 . . . . A 506 SER HB3 . 36431 1 334 . 1 . 1 36 36 SER C C 13 174.174 0.300 . 1 . . . . A 506 SER C . 36431 1 335 . 1 . 1 36 36 SER CA C 13 57.072 0.300 . 1 . . . . A 506 SER CA . 36431 1 336 . 1 . 1 36 36 SER CB C 13 64.609 0.300 . 1 . . . . A 506 SER CB . 36431 1 337 . 1 . 1 36 36 SER N N 15 109.357 0.300 . 1 . . . . A 506 SER N . 36431 1 338 . 1 . 1 37 37 GLY HA2 H 1 3.791 0.030 . 2 . . . . A 507 GLY HA2 . 36431 1 339 . 1 . 1 37 37 GLY HA3 H 1 4.120 0.030 . 2 . . . . A 507 GLY HA3 . 36431 1 340 . 1 . 1 37 37 GLY C C 13 173.666 0.300 . 1 . . . . A 507 GLY C . 36431 1 341 . 1 . 1 37 37 GLY CA C 13 46.280 0.300 . 1 . . . . A 507 GLY CA . 36431 1 342 . 1 . 1 38 38 TYR H H 1 6.896 0.030 . 1 . . . . A 508 TYR H . 36431 1 343 . 1 . 1 38 38 TYR HA H 1 5.085 0.030 . 1 . . . . A 508 TYR HA . 36431 1 344 . 1 . 1 38 38 TYR HB2 H 1 3.061 0.030 . 1 . . . . A 508 TYR HB2 . 36431 1 345 . 1 . 1 38 38 TYR HB3 H 1 3.061 0.030 . 1 . . . . A 508 TYR HB3 . 36431 1 346 . 1 . 1 38 38 TYR HD1 H 1 6.881 0.030 . 1 . . . . A 508 TYR HD1 . 36431 1 347 . 1 . 1 38 38 TYR HD2 H 1 6.881 0.030 . 1 . . . . A 508 TYR HD2 . 36431 1 348 . 1 . 1 38 38 TYR HE1 H 1 6.566 0.030 . 1 . . . . A 508 TYR HE1 . 36431 1 349 . 1 . 1 38 38 TYR HE2 H 1 6.566 0.030 . 1 . . . . A 508 TYR HE2 . 36431 1 350 . 1 . 1 38 38 TYR C C 13 174.749 0.300 . 1 . . . . A 508 TYR C . 36431 1 351 . 1 . 1 38 38 TYR CA C 13 54.586 0.300 . 1 . . . . A 508 TYR CA . 36431 1 352 . 1 . 1 38 38 TYR CB C 13 40.497 0.300 . 1 . . . . A 508 TYR CB . 36431 1 353 . 1 . 1 38 38 TYR CD1 C 13 134.084 0.300 . 1 . . . . A 508 TYR CD1 . 36431 1 354 . 1 . 1 38 38 TYR CD2 C 13 134.084 0.300 . 1 . . . . A 508 TYR CD2 . 36431 1 355 . 1 . 1 38 38 TYR CE1 C 13 117.322 0.300 . 1 . . . . A 508 TYR CE1 . 36431 1 356 . 1 . 1 38 38 TYR CE2 C 13 117.322 0.300 . 1 . . . . A 508 TYR CE2 . 36431 1 357 . 1 . 1 38 38 TYR N N 15 114.435 0.300 . 1 . . . . A 508 TYR N . 36431 1 358 . 1 . 1 39 39 SER H H 1 8.849 0.030 . 1 . . . . A 509 SER H . 36431 1 359 . 1 . 1 39 39 SER HA H 1 4.627 0.030 . 1 . . . . A 509 SER HA . 36431 1 360 . 1 . 1 39 39 SER HB2 H 1 4.288 0.030 . 2 . . . . A 509 SER HB2 . 36431 1 361 . 1 . 1 39 39 SER HB3 H 1 4.030 0.030 . 2 . . . . A 509 SER HB3 . 36431 1 362 . 1 . 1 39 39 SER C C 13 174.842 0.300 . 1 . . . . A 509 SER C . 36431 1 363 . 1 . 1 39 39 SER CA C 13 56.840 0.300 . 1 . . . . A 509 SER CA . 36431 1 364 . 1 . 1 39 39 SER CB C 13 65.298 0.300 . 1 . . . . A 509 SER CB . 36431 1 365 . 1 . 1 39 39 SER N N 15 119.316 0.300 . 1 . . . . A 509 SER N . 36431 1 366 . 1 . 1 40 40 ASP H H 1 9.032 0.030 . 1 . . . . A 510 ASP H . 36431 1 367 . 1 . 1 40 40 ASP HA H 1 4.129 0.030 . 1 . . . . A 510 ASP HA . 36431 1 368 . 1 . 1 40 40 ASP HB2 H 1 2.836 0.030 . 2 . . . . A 510 ASP HB2 . 36431 1 369 . 1 . 1 40 40 ASP HB3 H 1 2.474 0.030 . 2 . . . . A 510 ASP HB3 . 36431 1 370 . 1 . 1 40 40 ASP C C 13 178.527 0.300 . 1 . . . . A 510 ASP C . 36431 1 371 . 1 . 1 40 40 ASP CA C 13 57.855 0.300 . 1 . . . . A 510 ASP CA . 36431 1 372 . 1 . 1 40 40 ASP CB C 13 39.082 0.300 . 1 . . . . A 510 ASP CB . 36431 1 373 . 1 . 1 40 40 ASP N N 15 121.948 0.300 . 1 . . . . A 510 ASP N . 36431 1 374 . 1 . 1 41 41 SER H H 1 8.313 0.030 . 1 . . . . A 511 SER H . 36431 1 375 . 1 . 1 41 41 SER HA H 1 3.851 0.030 . 1 . . . . A 511 SER HA . 36431 1 376 . 1 . 1 41 41 SER HB2 H 1 3.871 0.030 . 1 . . . . A 511 SER HB2 . 36431 1 377 . 1 . 1 41 41 SER HB3 H 1 3.871 0.030 . 1 . . . . A 511 SER HB3 . 36431 1 378 . 1 . 1 41 41 SER C C 13 175.702 0.300 . 1 . . . . A 511 SER C . 36431 1 379 . 1 . 1 41 41 SER CA C 13 61.122 0.300 . 1 . . . . A 511 SER CA . 36431 1 380 . 1 . 1 41 41 SER CB C 13 62.566 0.300 . 1 . . . . A 511 SER CB . 36431 1 381 . 1 . 1 41 41 SER N N 15 111.232 0.300 . 1 . . . . A 511 SER N . 36431 1 382 . 1 . 1 42 42 ALA H H 1 7.783 0.030 . 1 . . . . A 512 ALA H . 36431 1 383 . 1 . 1 42 42 ALA HA H 1 4.050 0.030 . 1 . . . . A 512 ALA HA . 36431 1 384 . 1 . 1 42 42 ALA HB1 H 1 1.784 0.030 . 1 . . . . A 512 ALA HB1 . 36431 1 385 . 1 . 1 42 42 ALA HB2 H 1 1.784 0.030 . 1 . . . . A 512 ALA HB2 . 36431 1 386 . 1 . 1 42 42 ALA HB3 H 1 1.784 0.030 . 1 . . . . A 512 ALA HB3 . 36431 1 387 . 1 . 1 42 42 ALA C C 13 179.216 0.300 . 1 . . . . A 512 ALA C . 36431 1 388 . 1 . 1 42 42 ALA CA C 13 55.054 0.300 . 1 . . . . A 512 ALA CA . 36431 1 389 . 1 . 1 42 42 ALA CB C 13 18.851 0.300 . 1 . . . . A 512 ALA CB . 36431 1 390 . 1 . 1 42 42 ALA N N 15 124.001 0.300 . 1 . . . . A 512 ALA N . 36431 1 391 . 1 . 1 43 43 VAL H H 1 7.042 0.030 . 1 . . . . A 513 VAL H . 36431 1 392 . 1 . 1 43 43 VAL HA H 1 3.096 0.030 . 1 . . . . A 513 VAL HA . 36431 1 393 . 1 . 1 43 43 VAL HB H 1 1.910 0.030 . 1 . . . . A 513 VAL HB . 36431 1 394 . 1 . 1 43 43 VAL HG11 H 1 0.623 0.030 . 2 . . . . A 513 VAL HG11 . 36431 1 395 . 1 . 1 43 43 VAL HG12 H 1 0.623 0.030 . 2 . . . . A 513 VAL HG12 . 36431 1 396 . 1 . 1 43 43 VAL HG13 H 1 0.623 0.030 . 2 . . . . A 513 VAL HG13 . 36431 1 397 . 1 . 1 43 43 VAL HG21 H 1 0.537 0.030 . 2 . . . . A 513 VAL HG21 . 36431 1 398 . 1 . 1 43 43 VAL HG22 H 1 0.537 0.030 . 2 . . . . A 513 VAL HG22 . 36431 1 399 . 1 . 1 43 43 VAL HG23 H 1 0.537 0.030 . 2 . . . . A 513 VAL HG23 . 36431 1 400 . 1 . 1 43 43 VAL C C 13 177.244 0.300 . 1 . . . . A 513 VAL C . 36431 1 401 . 1 . 1 43 43 VAL CA C 13 64.546 0.300 . 1 . . . . A 513 VAL CA . 36431 1 402 . 1 . 1 43 43 VAL CB C 13 31.424 0.300 . 1 . . . . A 513 VAL CB . 36431 1 403 . 1 . 1 43 43 VAL CG1 C 13 24.486 0.300 . 2 . . . . A 513 VAL CG1 . 36431 1 404 . 1 . 1 43 43 VAL CG2 C 13 21.163 0.300 . 2 . . . . A 513 VAL CG2 . 36431 1 405 . 1 . 1 43 43 VAL N N 15 115.193 0.300 . 1 . . . . A 513 VAL N . 36431 1 406 . 1 . 1 44 44 LEU H H 1 7.316 0.030 . 1 . . . . A 514 LEU H . 36431 1 407 . 1 . 1 44 44 LEU HA H 1 3.629 0.030 . 1 . . . . A 514 LEU HA . 36431 1 408 . 1 . 1 44 44 LEU HB2 H 1 1.560 0.030 . 2 . . . . A 514 LEU HB2 . 36431 1 409 . 1 . 1 44 44 LEU HB3 H 1 1.300 0.030 . 2 . . . . A 514 LEU HB3 . 36431 1 410 . 1 . 1 44 44 LEU HG H 1 1.279 0.030 . 1 . . . . A 514 LEU HG . 36431 1 411 . 1 . 1 44 44 LEU HD11 H 1 0.270 0.030 . 2 . . . . A 514 LEU HD11 . 36431 1 412 . 1 . 1 44 44 LEU HD12 H 1 0.270 0.030 . 2 . . . . A 514 LEU HD12 . 36431 1 413 . 1 . 1 44 44 LEU HD13 H 1 0.270 0.030 . 2 . . . . A 514 LEU HD13 . 36431 1 414 . 1 . 1 44 44 LEU HD21 H 1 0.139 0.030 . 2 . . . . A 514 LEU HD21 . 36431 1 415 . 1 . 1 44 44 LEU HD22 H 1 0.139 0.030 . 2 . . . . A 514 LEU HD22 . 36431 1 416 . 1 . 1 44 44 LEU HD23 H 1 0.139 0.030 . 2 . . . . A 514 LEU HD23 . 36431 1 417 . 1 . 1 44 44 LEU C C 13 179.823 0.300 . 1 . . . . A 514 LEU C . 36431 1 418 . 1 . 1 44 44 LEU CA C 13 57.932 0.300 . 1 . . . . A 514 LEU CA . 36431 1 419 . 1 . 1 44 44 LEU CB C 13 40.133 0.300 . 1 . . . . A 514 LEU CB . 36431 1 420 . 1 . 1 44 44 LEU CG C 13 26.560 0.300 . 1 . . . . A 514 LEU CG . 36431 1 421 . 1 . 1 44 44 LEU CD1 C 13 24.095 0.300 . 2 . . . . A 514 LEU CD1 . 36431 1 422 . 1 . 1 44 44 LEU CD2 C 13 21.235 0.300 . 2 . . . . A 514 LEU CD2 . 36431 1 423 . 1 . 1 44 44 LEU N N 15 118.847 0.300 . 1 . . . . A 514 LEU N . 36431 1 424 . 1 . 1 45 45 LYS H H 1 7.789 0.030 . 1 . . . . A 515 LYS H . 36431 1 425 . 1 . 1 45 45 LYS HA H 1 3.900 0.030 . 1 . . . . A 515 LYS HA . 36431 1 426 . 1 . 1 45 45 LYS HB2 H 1 1.856 0.030 . 2 . . . . A 515 LYS HB2 . 36431 1 427 . 1 . 1 45 45 LYS HB3 H 1 1.820 0.030 . 2 . . . . A 515 LYS HB3 . 36431 1 428 . 1 . 1 45 45 LYS HG2 H 1 1.561 0.030 . 2 . . . . A 515 LYS HG2 . 36431 1 429 . 1 . 1 45 45 LYS HG3 H 1 1.500 0.030 . 2 . . . . A 515 LYS HG3 . 36431 1 430 . 1 . 1 45 45 LYS HD2 H 1 1.630 0.030 . 1 . . . . A 515 LYS HD2 . 36431 1 431 . 1 . 1 45 45 LYS HD3 H 1 1.630 0.030 . 1 . . . . A 515 LYS HD3 . 36431 1 432 . 1 . 1 45 45 LYS HE2 H 1 2.925 0.030 . 1 . . . . A 515 LYS HE2 . 36431 1 433 . 1 . 1 45 45 LYS HE3 H 1 2.925 0.030 . 1 . . . . A 515 LYS HE3 . 36431 1 434 . 1 . 1 45 45 LYS C C 13 178.150 0.300 . 1 . . . . A 515 LYS C . 36431 1 435 . 1 . 1 45 45 LYS CA C 13 58.232 0.300 . 1 . . . . A 515 LYS CA . 36431 1 436 . 1 . 1 45 45 LYS CB C 13 32.492 0.300 . 1 . . . . A 515 LYS CB . 36431 1 437 . 1 . 1 45 45 LYS CG C 13 25.469 0.300 . 1 . . . . A 515 LYS CG . 36431 1 438 . 1 . 1 45 45 LYS CD C 13 28.867 0.300 . 1 . . . . A 515 LYS CD . 36431 1 439 . 1 . 1 45 45 LYS CE C 13 42.031 0.300 . 1 . . . . A 515 LYS CE . 36431 1 440 . 1 . 1 45 45 LYS N N 15 116.585 0.300 . 1 . . . . A 515 LYS N . 36431 1 441 . 1 . 1 46 46 LEU H H 1 7.417 0.030 . 1 . . . . A 516 LEU H . 36431 1 442 . 1 . 1 46 46 LEU HA H 1 4.029 0.030 . 1 . . . . A 516 LEU HA . 36431 1 443 . 1 . 1 46 46 LEU HB2 H 1 1.791 0.030 . 2 . . . . A 516 LEU HB2 . 36431 1 444 . 1 . 1 46 46 LEU HB3 H 1 1.239 0.030 . 2 . . . . A 516 LEU HB3 . 36431 1 445 . 1 . 1 46 46 LEU HG H 1 1.761 0.030 . 1 . . . . A 516 LEU HG . 36431 1 446 . 1 . 1 46 46 LEU HD11 H 1 0.210 0.030 . 2 . . . . A 516 LEU HD11 . 36431 1 447 . 1 . 1 46 46 LEU HD12 H 1 0.210 0.030 . 2 . . . . A 516 LEU HD12 . 36431 1 448 . 1 . 1 46 46 LEU HD13 H 1 0.210 0.030 . 2 . . . . A 516 LEU HD13 . 36431 1 449 . 1 . 1 46 46 LEU HD21 H 1 0.790 0.030 . 2 . . . . A 516 LEU HD21 . 36431 1 450 . 1 . 1 46 46 LEU HD22 H 1 0.790 0.030 . 2 . . . . A 516 LEU HD22 . 36431 1 451 . 1 . 1 46 46 LEU HD23 H 1 0.790 0.030 . 2 . . . . A 516 LEU HD23 . 36431 1 452 . 1 . 1 46 46 LEU C C 13 177.389 0.300 . 1 . . . . A 516 LEU C . 36431 1 453 . 1 . 1 46 46 LEU CA C 13 56.823 0.300 . 1 . . . . A 516 LEU CA . 36431 1 454 . 1 . 1 46 46 LEU CB C 13 41.157 0.300 . 1 . . . . A 516 LEU CB . 36431 1 455 . 1 . 1 46 46 LEU CG C 13 25.757 0.300 . 1 . . . . A 516 LEU CG . 36431 1 456 . 1 . 1 46 46 LEU CD1 C 13 24.225 0.300 . 2 . . . . A 516 LEU CD1 . 36431 1 457 . 1 . 1 46 46 LEU CD2 C 13 21.365 0.300 . 2 . . . . A 516 LEU CD2 . 36431 1 458 . 1 . 1 46 46 LEU N N 15 116.335 0.300 . 1 . . . . A 516 LEU N . 36431 1 459 . 1 . 1 47 47 ALA H H 1 7.081 0.030 . 1 . . . . A 517 ALA H . 36431 1 460 . 1 . 1 47 47 ALA HA H 1 4.971 0.030 . 1 . . . . A 517 ALA HA . 36431 1 461 . 1 . 1 47 47 ALA HB1 H 1 1.349 0.030 . 1 . . . . A 517 ALA HB1 . 36431 1 462 . 1 . 1 47 47 ALA HB2 H 1 1.349 0.030 . 1 . . . . A 517 ALA HB2 . 36431 1 463 . 1 . 1 47 47 ALA HB3 H 1 1.349 0.030 . 1 . . . . A 517 ALA HB3 . 36431 1 464 . 1 . 1 47 47 ALA C C 13 177.038 0.300 . 1 . . . . A 517 ALA C . 36431 1 465 . 1 . 1 47 47 ALA CA C 13 51.922 0.300 . 1 . . . . A 517 ALA CA . 36431 1 466 . 1 . 1 47 47 ALA CB C 13 21.041 0.300 . 1 . . . . A 517 ALA CB . 36431 1 467 . 1 . 1 47 47 ALA N N 15 116.042 0.300 . 1 . . . . A 517 ALA N . 36431 1 468 . 1 . 1 48 48 GLU H H 1 7.469 0.030 . 1 . . . . A 518 GLU H . 36431 1 469 . 1 . 1 48 48 GLU HA H 1 4.288 0.030 . 1 . . . . A 518 GLU HA . 36431 1 470 . 1 . 1 48 48 GLU HB2 H 1 2.009 0.030 . 1 . . . . A 518 GLU HB2 . 36431 1 471 . 1 . 1 48 48 GLU HB3 H 1 2.009 0.030 . 1 . . . . A 518 GLU HB3 . 36431 1 472 . 1 . 1 48 48 GLU HG2 H 1 2.430 0.030 . 2 . . . . A 518 GLU HG2 . 36431 1 473 . 1 . 1 48 48 GLU HG3 H 1 2.218 0.030 . 2 . . . . A 518 GLU HG3 . 36431 1 474 . 1 . 1 48 48 GLU C C 13 174.648 0.300 . 1 . . . . A 518 GLU C . 36431 1 475 . 1 . 1 48 48 GLU CA C 13 59.875 0.300 . 1 . . . . A 518 GLU CA . 36431 1 476 . 1 . 1 48 48 GLU CB C 13 29.104 0.300 . 1 . . . . A 518 GLU CB . 36431 1 477 . 1 . 1 48 48 GLU CG C 13 37.207 0.300 . 1 . . . . A 518 GLU CG . 36431 1 478 . 1 . 1 48 48 GLU N N 15 118.944 0.300 . 1 . . . . A 518 GLU N . 36431 1 479 . 1 . 1 49 49 PRO HA H 1 4.107 0.030 . 1 . . . . A 519 PRO HA . 36431 1 480 . 1 . 1 49 49 PRO HB2 H 1 0.490 0.030 . 2 . . . . A 519 PRO HB2 . 36431 1 481 . 1 . 1 49 49 PRO HB3 H 1 1.961 0.030 . 2 . . . . A 519 PRO HB3 . 36431 1 482 . 1 . 1 49 49 PRO HG2 H 1 1.802 0.030 . 2 . . . . A 519 PRO HG2 . 36431 1 483 . 1 . 1 49 49 PRO HG3 H 1 1.741 0.030 . 2 . . . . A 519 PRO HG3 . 36431 1 484 . 1 . 1 49 49 PRO HD2 H 1 3.783 0.030 . 2 . . . . A 519 PRO HD2 . 36431 1 485 . 1 . 1 49 49 PRO HD3 H 1 3.101 0.030 . 2 . . . . A 519 PRO HD3 . 36431 1 486 . 1 . 1 49 49 PRO C C 13 177.070 0.300 . 1 . . . . A 519 PRO C . 36431 1 487 . 1 . 1 49 49 PRO CA C 13 65.049 0.300 . 1 . . . . A 519 PRO CA . 36431 1 488 . 1 . 1 49 49 PRO CB C 13 30.997 0.300 . 1 . . . . A 519 PRO CB . 36431 1 489 . 1 . 1 49 49 PRO CG C 13 28.264 0.300 . 1 . . . . A 519 PRO CG . 36431 1 490 . 1 . 1 49 49 PRO CD C 13 51.410 0.300 . 1 . . . . A 519 PRO CD . 36431 1 491 . 1 . 1 50 50 TYR H H 1 7.839 0.030 . 1 . . . . A 520 TYR H . 36431 1 492 . 1 . 1 50 50 TYR HA H 1 4.149 0.030 . 1 . . . . A 520 TYR HA . 36431 1 493 . 1 . 1 50 50 TYR HB2 H 1 2.768 0.030 . 2 . . . . A 520 TYR HB2 . 36431 1 494 . 1 . 1 50 50 TYR HB3 H 1 3.291 0.030 . 2 . . . . A 520 TYR HB3 . 36431 1 495 . 1 . 1 50 50 TYR HD1 H 1 7.169 0.030 . 1 . . . . A 520 TYR HD1 . 36431 1 496 . 1 . 1 50 50 TYR HD2 H 1 7.169 0.030 . 1 . . . . A 520 TYR HD2 . 36431 1 497 . 1 . 1 50 50 TYR HE1 H 1 6.681 0.030 . 1 . . . . A 520 TYR HE1 . 36431 1 498 . 1 . 1 50 50 TYR HE2 H 1 6.681 0.030 . 1 . . . . A 520 TYR HE2 . 36431 1 499 . 1 . 1 50 50 TYR C C 13 174.684 0.300 . 1 . . . . A 520 TYR C . 36431 1 500 . 1 . 1 50 50 TYR CA C 13 58.960 0.300 . 1 . . . . A 520 TYR CA . 36431 1 501 . 1 . 1 50 50 TYR CB C 13 38.509 0.300 . 1 . . . . A 520 TYR CB . 36431 1 502 . 1 . 1 50 50 TYR CD1 C 13 133.311 0.300 . 1 . . . . A 520 TYR CD1 . 36431 1 503 . 1 . 1 50 50 TYR CD2 C 13 133.311 0.300 . 1 . . . . A 520 TYR CD2 . 36431 1 504 . 1 . 1 50 50 TYR CE1 C 13 118.009 0.300 . 1 . . . . A 520 TYR CE1 . 36431 1 505 . 1 . 1 50 50 TYR CE2 C 13 118.009 0.300 . 1 . . . . A 520 TYR CE2 . 36431 1 506 . 1 . 1 50 50 TYR N N 15 113.634 0.300 . 1 . . . . A 520 TYR N . 36431 1 507 . 1 . 1 51 51 GLY H H 1 7.281 0.030 . 1 . . . . A 521 GLY H . 36431 1 508 . 1 . 1 51 51 GLY HA2 H 1 3.719 0.030 . 2 . . . . A 521 GLY HA2 . 36431 1 509 . 1 . 1 51 51 GLY HA3 H 1 4.309 0.030 . 2 . . . . A 521 GLY HA3 . 36431 1 510 . 1 . 1 51 51 GLY C C 13 170.906 0.300 . 1 . . . . A 521 GLY C . 36431 1 511 . 1 . 1 51 51 GLY CA C 13 44.827 0.300 . 1 . . . . A 521 GLY CA . 36431 1 512 . 1 . 1 51 51 GLY N N 15 104.399 0.300 . 1 . . . . A 521 GLY N . 36431 1 513 . 1 . 1 52 52 LYS H H 1 8.171 0.030 . 1 . . . . A 522 LYS H . 36431 1 514 . 1 . 1 52 52 LYS HA H 1 4.252 0.030 . 1 . . . . A 522 LYS HA . 36431 1 515 . 1 . 1 52 52 LYS HB2 H 1 1.719 0.030 . 2 . . . . A 522 LYS HB2 . 36431 1 516 . 1 . 1 52 52 LYS HB3 H 1 1.667 0.030 . 2 . . . . A 522 LYS HB3 . 36431 1 517 . 1 . 1 52 52 LYS HG2 H 1 1.469 0.030 . 2 . . . . A 522 LYS HG2 . 36431 1 518 . 1 . 1 52 52 LYS HG3 H 1 1.360 0.030 . 2 . . . . A 522 LYS HG3 . 36431 1 519 . 1 . 1 52 52 LYS HD2 H 1 1.666 0.030 . 1 . . . . A 522 LYS HD2 . 36431 1 520 . 1 . 1 52 52 LYS HD3 H 1 1.666 0.030 . 1 . . . . A 522 LYS HD3 . 36431 1 521 . 1 . 1 52 52 LYS HE2 H 1 2.959 0.030 . 1 . . . . A 522 LYS HE2 . 36431 1 522 . 1 . 1 52 52 LYS HE3 H 1 2.959 0.030 . 1 . . . . A 522 LYS HE3 . 36431 1 523 . 1 . 1 52 52 LYS C C 13 176.329 0.300 . 1 . . . . A 522 LYS C . 36431 1 524 . 1 . 1 52 52 LYS CA C 13 56.170 0.300 . 1 . . . . A 522 LYS CA . 36431 1 525 . 1 . 1 52 52 LYS CB C 13 33.217 0.300 . 1 . . . . A 522 LYS CB . 36431 1 526 . 1 . 1 52 52 LYS CG C 13 25.247 0.300 . 1 . . . . A 522 LYS CG . 36431 1 527 . 1 . 1 52 52 LYS CD C 13 29.031 0.300 . 1 . . . . A 522 LYS CD . 36431 1 528 . 1 . 1 52 52 LYS CE C 13 42.196 0.300 . 1 . . . . A 522 LYS CE . 36431 1 529 . 1 . 1 52 52 LYS N N 15 117.354 0.300 . 1 . . . . A 522 LYS N . 36431 1 530 . 1 . 1 53 53 ILE H H 1 8.512 0.030 . 1 . . . . A 523 ILE H . 36431 1 531 . 1 . 1 53 53 ILE HA H 1 4.209 0.030 . 1 . . . . A 523 ILE HA . 36431 1 532 . 1 . 1 53 53 ILE HB H 1 1.733 0.030 . 1 . . . . A 523 ILE HB . 36431 1 533 . 1 . 1 53 53 ILE HG12 H 1 1.642 0.030 . 2 . . . . A 523 ILE HG12 . 36431 1 534 . 1 . 1 53 53 ILE HG13 H 1 1.003 0.030 . 2 . . . . A 523 ILE HG13 . 36431 1 535 . 1 . 1 53 53 ILE HG21 H 1 0.825 0.030 . 1 . . . . A 523 ILE HG21 . 36431 1 536 . 1 . 1 53 53 ILE HG22 H 1 0.825 0.030 . 1 . . . . A 523 ILE HG22 . 36431 1 537 . 1 . 1 53 53 ILE HG23 H 1 0.825 0.030 . 1 . . . . A 523 ILE HG23 . 36431 1 538 . 1 . 1 53 53 ILE HD11 H 1 0.899 0.030 . 1 . . . . A 523 ILE HD11 . 36431 1 539 . 1 . 1 53 53 ILE HD12 H 1 0.899 0.030 . 1 . . . . A 523 ILE HD12 . 36431 1 540 . 1 . 1 53 53 ILE HD13 H 1 0.899 0.030 . 1 . . . . A 523 ILE HD13 . 36431 1 541 . 1 . 1 53 53 ILE C C 13 176.500 0.300 . 1 . . . . A 523 ILE C . 36431 1 542 . 1 . 1 53 53 ILE CA C 13 61.915 0.300 . 1 . . . . A 523 ILE CA . 36431 1 543 . 1 . 1 53 53 ILE CB C 13 40.029 0.300 . 1 . . . . A 523 ILE CB . 36431 1 544 . 1 . 1 53 53 ILE CG1 C 13 27.862 0.300 . 1 . . . . A 523 ILE CG1 . 36431 1 545 . 1 . 1 53 53 ILE CG2 C 13 18.175 0.300 . 1 . . . . A 523 ILE CG2 . 36431 1 546 . 1 . 1 53 53 ILE CD1 C 13 15.720 0.300 . 1 . . . . A 523 ILE CD1 . 36431 1 547 . 1 . 1 53 53 ILE N N 15 124.539 0.300 . 1 . . . . A 523 ILE N . 36431 1 548 . 1 . 1 54 54 LYS H H 1 9.362 0.030 . 1 . . . . A 524 LYS H . 36431 1 549 . 1 . 1 54 54 LYS HA H 1 4.418 0.030 . 1 . . . . A 524 LYS HA . 36431 1 550 . 1 . 1 54 54 LYS HB2 H 1 1.610 0.030 . 2 . . . . A 524 LYS HB2 . 36431 1 551 . 1 . 1 54 54 LYS HB3 H 1 1.367 0.030 . 2 . . . . A 524 LYS HB3 . 36431 1 552 . 1 . 1 54 54 LYS HG2 H 1 1.392 0.030 . 2 . . . . A 524 LYS HG2 . 36431 1 553 . 1 . 1 54 54 LYS HG3 H 1 1.350 0.030 . 2 . . . . A 524 LYS HG3 . 36431 1 554 . 1 . 1 54 54 LYS HD2 H 1 1.677 0.030 . 1 . . . . A 524 LYS HD2 . 36431 1 555 . 1 . 1 54 54 LYS HD3 H 1 1.677 0.030 . 1 . . . . A 524 LYS HD3 . 36431 1 556 . 1 . 1 54 54 LYS HE2 H 1 2.998 0.030 . 1 . . . . A 524 LYS HE2 . 36431 1 557 . 1 . 1 54 54 LYS HE3 H 1 2.998 0.030 . 1 . . . . A 524 LYS HE3 . 36431 1 558 . 1 . 1 54 54 LYS C C 13 175.709 0.300 . 1 . . . . A 524 LYS C . 36431 1 559 . 1 . 1 54 54 LYS CA C 13 56.828 0.300 . 1 . . . . A 524 LYS CA . 36431 1 560 . 1 . 1 54 54 LYS CB C 13 34.610 0.300 . 1 . . . . A 524 LYS CB . 36431 1 561 . 1 . 1 54 54 LYS CG C 13 24.371 0.300 . 1 . . . . A 524 LYS CG . 36431 1 562 . 1 . 1 54 54 LYS CD C 13 28.503 0.300 . 1 . . . . A 524 LYS CD . 36431 1 563 . 1 . 1 54 54 LYS CE C 13 41.866 0.300 . 1 . . . . A 524 LYS CE . 36431 1 564 . 1 . 1 54 54 LYS N N 15 128.193 0.300 . 1 . . . . A 524 LYS N . 36431 1 565 . 1 . 1 55 55 ASN H H 1 7.943 0.030 . 1 . . . . A 525 ASN H . 36431 1 566 . 1 . 1 55 55 ASN HA H 1 5.032 0.030 . 1 . . . . A 525 ASN HA . 36431 1 567 . 1 . 1 55 55 ASN HB2 H 1 2.541 0.030 . 2 . . . . A 525 ASN HB2 . 36431 1 568 . 1 . 1 55 55 ASN HB3 H 1 2.779 0.030 . 2 . . . . A 525 ASN HB3 . 36431 1 569 . 1 . 1 55 55 ASN HD21 H 1 6.758 0.030 . 2 . . . . A 525 ASN HD21 . 36431 1 570 . 1 . 1 55 55 ASN HD22 H 1 7.744 0.030 . 2 . . . . A 525 ASN HD22 . 36431 1 571 . 1 . 1 55 55 ASN C C 13 172.573 0.300 . 1 . . . . A 525 ASN C . 36431 1 572 . 1 . 1 55 55 ASN CA C 13 52.104 0.300 . 1 . . . . A 525 ASN CA . 36431 1 573 . 1 . 1 55 55 ASN CB C 13 42.680 0.300 . 1 . . . . A 525 ASN CB . 36431 1 574 . 1 . 1 55 55 ASN N N 15 113.776 0.300 . 1 . . . . A 525 ASN N . 36431 1 575 . 1 . 1 55 55 ASN ND2 N 15 113.522 0.300 . 1 . . . . A 525 ASN ND2 . 36431 1 576 . 1 . 1 56 56 TYR H H 1 8.589 0.030 . 1 . . . . A 526 TYR H . 36431 1 577 . 1 . 1 56 56 TYR HA H 1 5.279 0.030 . 1 . . . . A 526 TYR HA . 36431 1 578 . 1 . 1 56 56 TYR HB2 H 1 2.970 0.030 . 2 . . . . A 526 TYR HB2 . 36431 1 579 . 1 . 1 56 56 TYR HB3 H 1 2.838 0.030 . 2 . . . . A 526 TYR HB3 . 36431 1 580 . 1 . 1 56 56 TYR HD1 H 1 6.740 0.030 . 1 . . . . A 526 TYR HD1 . 36431 1 581 . 1 . 1 56 56 TYR HD2 H 1 6.740 0.030 . 1 . . . . A 526 TYR HD2 . 36431 1 582 . 1 . 1 56 56 TYR HE1 H 1 6.760 0.030 . 1 . . . . A 526 TYR HE1 . 36431 1 583 . 1 . 1 56 56 TYR HE2 H 1 6.760 0.030 . 1 . . . . A 526 TYR HE2 . 36431 1 584 . 1 . 1 56 56 TYR C C 13 172.708 0.300 . 1 . . . . A 526 TYR C . 36431 1 585 . 1 . 1 56 56 TYR CA C 13 57.018 0.300 . 1 . . . . A 526 TYR CA . 36431 1 586 . 1 . 1 56 56 TYR CB C 13 41.526 0.300 . 1 . . . . A 526 TYR CB . 36431 1 587 . 1 . 1 56 56 TYR CD1 C 13 133.355 0.300 . 1 . . . . A 526 TYR CD1 . 36431 1 588 . 1 . 1 56 56 TYR CD2 C 13 133.355 0.300 . 1 . . . . A 526 TYR CD2 . 36431 1 589 . 1 . 1 56 56 TYR CE1 C 13 117.885 0.300 . 1 . . . . A 526 TYR CE1 . 36431 1 590 . 1 . 1 56 56 TYR CE2 C 13 117.885 0.300 . 1 . . . . A 526 TYR CE2 . 36431 1 591 . 1 . 1 56 56 TYR N N 15 117.417 0.300 . 1 . . . . A 526 TYR N . 36431 1 592 . 1 . 1 57 57 ILE H H 1 9.190 0.030 . 1 . . . . A 527 ILE H . 36431 1 593 . 1 . 1 57 57 ILE HA H 1 4.121 0.030 . 1 . . . . A 527 ILE HA . 36431 1 594 . 1 . 1 57 57 ILE HB H 1 1.691 0.030 . 1 . . . . A 527 ILE HB . 36431 1 595 . 1 . 1 57 57 ILE HG12 H 1 1.434 0.030 . 2 . . . . A 527 ILE HG12 . 36431 1 596 . 1 . 1 57 57 ILE HG13 H 1 0.981 0.030 . 2 . . . . A 527 ILE HG13 . 36431 1 597 . 1 . 1 57 57 ILE HG21 H 1 0.886 0.030 . 1 . . . . A 527 ILE HG21 . 36431 1 598 . 1 . 1 57 57 ILE HG22 H 1 0.886 0.030 . 1 . . . . A 527 ILE HG22 . 36431 1 599 . 1 . 1 57 57 ILE HG23 H 1 0.886 0.030 . 1 . . . . A 527 ILE HG23 . 36431 1 600 . 1 . 1 57 57 ILE HD11 H 1 0.680 0.030 . 1 . . . . A 527 ILE HD11 . 36431 1 601 . 1 . 1 57 57 ILE HD12 H 1 0.680 0.030 . 1 . . . . A 527 ILE HD12 . 36431 1 602 . 1 . 1 57 57 ILE HD13 H 1 0.680 0.030 . 1 . . . . A 527 ILE HD13 . 36431 1 603 . 1 . 1 57 57 ILE C C 13 174.097 0.300 . 1 . . . . A 527 ILE C . 36431 1 604 . 1 . 1 57 57 ILE CA C 13 61.265 0.300 . 1 . . . . A 527 ILE CA . 36431 1 605 . 1 . 1 57 57 ILE CB C 13 43.092 0.300 . 1 . . . . A 527 ILE CB . 36431 1 606 . 1 . 1 57 57 ILE CG1 C 13 27.699 0.300 . 1 . . . . A 527 ILE CG1 . 36431 1 607 . 1 . 1 57 57 ILE CG2 C 13 17.556 0.300 . 1 . . . . A 527 ILE CG2 . 36431 1 608 . 1 . 1 57 57 ILE CD1 C 13 13.728 0.300 . 1 . . . . A 527 ILE CD1 . 36431 1 609 . 1 . 1 57 57 ILE N N 15 119.042 0.300 . 1 . . . . A 527 ILE N . 36431 1 610 . 1 . 1 58 58 LEU H H 1 9.281 0.030 . 1 . . . . A 528 LEU H . 36431 1 611 . 1 . 1 58 58 LEU HA H 1 4.757 0.030 . 1 . . . . A 528 LEU HA . 36431 1 612 . 1 . 1 58 58 LEU HB2 H 1 1.732 0.030 . 2 . . . . A 528 LEU HB2 . 36431 1 613 . 1 . 1 58 58 LEU HB3 H 1 1.984 0.030 . 2 . . . . A 528 LEU HB3 . 36431 1 614 . 1 . 1 58 58 LEU HG H 1 1.825 0.030 . 1 . . . . A 528 LEU HG . 36431 1 615 . 1 . 1 58 58 LEU HD11 H 1 1.073 0.030 . 2 . . . . A 528 LEU HD11 . 36431 1 616 . 1 . 1 58 58 LEU HD12 H 1 1.073 0.030 . 2 . . . . A 528 LEU HD12 . 36431 1 617 . 1 . 1 58 58 LEU HD13 H 1 1.073 0.030 . 2 . . . . A 528 LEU HD13 . 36431 1 618 . 1 . 1 58 58 LEU HD21 H 1 1.010 0.030 . 2 . . . . A 528 LEU HD21 . 36431 1 619 . 1 . 1 58 58 LEU HD22 H 1 1.010 0.030 . 2 . . . . A 528 LEU HD22 . 36431 1 620 . 1 . 1 58 58 LEU HD23 H 1 1.010 0.030 . 2 . . . . A 528 LEU HD23 . 36431 1 621 . 1 . 1 58 58 LEU C C 13 175.719 0.300 . 1 . . . . A 528 LEU C . 36431 1 622 . 1 . 1 58 58 LEU CA C 13 54.469 0.300 . 1 . . . . A 528 LEU CA . 36431 1 623 . 1 . 1 58 58 LEU CB C 13 43.006 0.300 . 1 . . . . A 528 LEU CB . 36431 1 624 . 1 . 1 58 58 LEU CG C 13 28.620 0.300 . 1 . . . . A 528 LEU CG . 36431 1 625 . 1 . 1 58 58 LEU CD1 C 13 24.925 0.300 . 2 . . . . A 528 LEU CD1 . 36431 1 626 . 1 . 1 58 58 LEU CD2 C 13 25.606 0.300 . 2 . . . . A 528 LEU CD2 . 36431 1 627 . 1 . 1 58 58 LEU N N 15 128.768 0.300 . 1 . . . . A 528 LEU N . 36431 1 628 . 1 . 1 59 59 MET H H 1 8.660 0.030 . 1 . . . . A 529 MET H . 36431 1 629 . 1 . 1 59 59 MET HA H 1 4.916 0.030 . 1 . . . . A 529 MET HA . 36431 1 630 . 1 . 1 59 59 MET HB2 H 1 1.962 0.030 . 2 . . . . A 529 MET HB2 . 36431 1 631 . 1 . 1 59 59 MET HB3 H 1 2.122 0.030 . 2 . . . . A 529 MET HB3 . 36431 1 632 . 1 . 1 59 59 MET HG2 H 1 2.590 0.030 . 2 . . . . A 529 MET HG2 . 36431 1 633 . 1 . 1 59 59 MET HG3 H 1 2.410 0.030 . 2 . . . . A 529 MET HG3 . 36431 1 634 . 1 . 1 59 59 MET HE1 H 1 1.988 0.030 . 1 . . . . A 529 MET HE1 . 36431 1 635 . 1 . 1 59 59 MET HE2 H 1 1.988 0.030 . 1 . . . . A 529 MET HE2 . 36431 1 636 . 1 . 1 59 59 MET HE3 H 1 1.988 0.030 . 1 . . . . A 529 MET HE3 . 36431 1 637 . 1 . 1 59 59 MET C C 13 176.709 0.300 . 1 . . . . A 529 MET C . 36431 1 638 . 1 . 1 59 59 MET CA C 13 53.661 0.300 . 1 . . . . A 529 MET CA . 36431 1 639 . 1 . 1 59 59 MET CB C 13 32.539 0.300 . 1 . . . . A 529 MET CB . 36431 1 640 . 1 . 1 59 59 MET CG C 13 31.943 0.300 . 1 . . . . A 529 MET CG . 36431 1 641 . 1 . 1 59 59 MET CE C 13 17.701 0.300 . 1 . . . . A 529 MET CE . 36431 1 642 . 1 . 1 59 59 MET N N 15 125.893 0.300 . 1 . . . . A 529 MET N . 36431 1 643 . 1 . 1 60 60 ARG H H 1 8.680 0.030 . 1 . . . . A 530 ARG H . 36431 1 644 . 1 . 1 60 60 ARG HA H 1 3.910 0.030 . 1 . . . . A 530 ARG HA . 36431 1 645 . 1 . 1 60 60 ARG C C 13 171.197 0.300 . 1 . . . . A 530 ARG C . 36431 1 646 . 1 . 1 60 60 ARG CA C 13 60.986 0.300 . 1 . . . . A 530 ARG CA . 36431 1 647 . 1 . 1 60 60 ARG CB C 13 30.101 0.300 . 1 . . . . A 530 ARG CB . 36431 1 648 . 1 . 1 60 60 ARG N N 15 123.797 0.300 . 1 . . . . A 530 ARG N . 36431 1 649 . 1 . 1 61 61 MET HA H 1 4.401 0.030 . 1 . . . . A 531 MET HA . 36431 1 650 . 1 . 1 61 61 MET HB2 H 1 2.192 0.030 . 2 . . . . A 531 MET HB2 . 36431 1 651 . 1 . 1 61 61 MET HB3 H 1 2.170 0.030 . 2 . . . . A 531 MET HB3 . 36431 1 652 . 1 . 1 61 61 MET HG2 H 1 2.759 0.030 . 2 . . . . A 531 MET HG2 . 36431 1 653 . 1 . 1 61 61 MET HG3 H 1 2.600 0.030 . 2 . . . . A 531 MET HG3 . 36431 1 654 . 1 . 1 61 61 MET HE1 H 1 2.102 0.030 . 1 . . . . A 531 MET HE1 . 36431 1 655 . 1 . 1 61 61 MET HE2 H 1 2.102 0.030 . 1 . . . . A 531 MET HE2 . 36431 1 656 . 1 . 1 61 61 MET HE3 H 1 2.102 0.030 . 1 . . . . A 531 MET HE3 . 36431 1 657 . 1 . 1 61 61 MET C C 13 177.071 0.300 . 1 . . . . A 531 MET C . 36431 1 658 . 1 . 1 61 61 MET CA C 13 57.548 0.300 . 1 . . . . A 531 MET CA . 36431 1 659 . 1 . 1 61 61 MET CB C 13 31.050 0.300 . 1 . . . . A 531 MET CB . 36431 1 660 . 1 . 1 61 61 MET CG C 13 32.606 0.300 . 1 . . . . A 531 MET CG . 36431 1 661 . 1 . 1 61 61 MET CE C 13 16.928 0.300 . 1 . . . . A 531 MET CE . 36431 1 662 . 1 . 1 62 62 LYS H H 1 7.369 0.030 . 1 . . . . A 532 LYS H . 36431 1 663 . 1 . 1 62 62 LYS HA H 1 4.669 0.030 . 1 . . . . A 532 LYS HA . 36431 1 664 . 1 . 1 62 62 LYS HB2 H 1 1.592 0.030 . 2 . . . . A 532 LYS HB2 . 36431 1 665 . 1 . 1 62 62 LYS HB3 H 1 2.187 0.030 . 2 . . . . A 532 LYS HB3 . 36431 1 666 . 1 . 1 62 62 LYS HG2 H 1 1.496 0.030 . 2 . . . . A 532 LYS HG2 . 36431 1 667 . 1 . 1 62 62 LYS HG3 H 1 1.418 0.030 . 2 . . . . A 532 LYS HG3 . 36431 1 668 . 1 . 1 62 62 LYS HD2 H 1 1.714 0.030 . 1 . . . . A 532 LYS HD2 . 36431 1 669 . 1 . 1 62 62 LYS HD3 H 1 1.714 0.030 . 1 . . . . A 532 LYS HD3 . 36431 1 670 . 1 . 1 62 62 LYS HE2 H 1 3.002 0.030 . 1 . . . . A 532 LYS HE2 . 36431 1 671 . 1 . 1 62 62 LYS HE3 H 1 3.002 0.030 . 1 . . . . A 532 LYS HE3 . 36431 1 672 . 1 . 1 62 62 LYS C C 13 175.297 0.300 . 1 . . . . A 532 LYS C . 36431 1 673 . 1 . 1 62 62 LYS CA C 13 54.943 0.300 . 1 . . . . A 532 LYS CA . 36431 1 674 . 1 . 1 62 62 LYS CB C 13 33.480 0.300 . 1 . . . . A 532 LYS CB . 36431 1 675 . 1 . 1 62 62 LYS CG C 13 25.164 0.300 . 1 . . . . A 532 LYS CG . 36431 1 676 . 1 . 1 62 62 LYS CD C 13 29.031 0.300 . 1 . . . . A 532 LYS CD . 36431 1 677 . 1 . 1 62 62 LYS CE C 13 42.113 0.300 . 1 . . . . A 532 LYS CE . 36431 1 678 . 1 . 1 62 62 LYS N N 15 116.190 0.300 . 1 . . . . A 532 LYS N . 36431 1 679 . 1 . 1 63 63 SER H H 1 8.048 0.030 . 1 . . . . A 533 SER H . 36431 1 680 . 1 . 1 63 63 SER HA H 1 3.987 0.030 . 1 . . . . A 533 SER HA . 36431 1 681 . 1 . 1 63 63 SER HB2 H 1 4.361 0.030 . 2 . . . . A 533 SER HB2 . 36431 1 682 . 1 . 1 63 63 SER HB3 H 1 4.129 0.030 . 2 . . . . A 533 SER HB3 . 36431 1 683 . 1 . 1 63 63 SER C C 13 173.609 0.300 . 1 . . . . A 533 SER C . 36431 1 684 . 1 . 1 63 63 SER CA C 13 59.563 0.300 . 1 . . . . A 533 SER CA . 36431 1 685 . 1 . 1 63 63 SER CB C 13 61.993 0.300 . 1 . . . . A 533 SER CB . 36431 1 686 . 1 . 1 63 63 SER N N 15 113.871 0.300 . 1 . . . . A 533 SER N . 36431 1 687 . 1 . 1 64 64 GLN H H 1 7.543 0.030 . 1 . . . . A 534 GLN H . 36431 1 688 . 1 . 1 64 64 GLN HA H 1 5.366 0.030 . 1 . . . . A 534 GLN HA . 36431 1 689 . 1 . 1 64 64 GLN HB2 H 1 1.659 0.030 . 2 . . . . A 534 GLN HB2 . 36431 1 690 . 1 . 1 64 64 GLN HB3 H 1 2.049 0.030 . 2 . . . . A 534 GLN HB3 . 36431 1 691 . 1 . 1 64 64 GLN HG2 H 1 2.460 0.030 . 2 . . . . A 534 GLN HG2 . 36431 1 692 . 1 . 1 64 64 GLN HG3 H 1 2.364 0.030 . 2 . . . . A 534 GLN HG3 . 36431 1 693 . 1 . 1 64 64 GLN HE21 H 1 6.825 0.030 . 2 . . . . A 534 GLN HE21 . 36431 1 694 . 1 . 1 64 64 GLN HE22 H 1 7.530 0.030 . 2 . . . . A 534 GLN HE22 . 36431 1 695 . 1 . 1 64 64 GLN C C 13 173.849 0.300 . 1 . . . . A 534 GLN C . 36431 1 696 . 1 . 1 64 64 GLN CA C 13 53.465 0.300 . 1 . . . . A 534 GLN CA . 36431 1 697 . 1 . 1 64 64 GLN CB C 13 35.361 0.300 . 1 . . . . A 534 GLN CB . 36431 1 698 . 1 . 1 64 64 GLN CG C 13 33.422 0.300 . 1 . . . . A 534 GLN CG . 36431 1 699 . 1 . 1 64 64 GLN N N 15 113.192 0.300 . 1 . . . . A 534 GLN N . 36431 1 700 . 1 . 1 64 64 GLN NE2 N 15 112.597 0.300 . 1 . . . . A 534 GLN NE2 . 36431 1 701 . 1 . 1 65 65 ALA H H 1 8.859 0.030 . 1 . . . . A 535 ALA H . 36431 1 702 . 1 . 1 65 65 ALA HA H 1 4.967 0.030 . 1 . . . . A 535 ALA HA . 36431 1 703 . 1 . 1 65 65 ALA HB1 H 1 1.251 0.030 . 1 . . . . A 535 ALA HB1 . 36431 1 704 . 1 . 1 65 65 ALA HB2 H 1 1.251 0.030 . 1 . . . . A 535 ALA HB2 . 36431 1 705 . 1 . 1 65 65 ALA HB3 H 1 1.251 0.030 . 1 . . . . A 535 ALA HB3 . 36431 1 706 . 1 . 1 65 65 ALA C C 13 174.156 0.300 . 1 . . . . A 535 ALA C . 36431 1 707 . 1 . 1 65 65 ALA CA C 13 50.926 0.300 . 1 . . . . A 535 ALA CA . 36431 1 708 . 1 . 1 65 65 ALA CB C 13 23.925 0.300 . 1 . . . . A 535 ALA CB . 36431 1 709 . 1 . 1 65 65 ALA N N 15 119.951 0.300 . 1 . . . . A 535 ALA N . 36431 1 710 . 1 . 1 66 66 PHE H H 1 9.198 0.030 . 1 . . . . A 536 PHE H . 36431 1 711 . 1 . 1 66 66 PHE HA H 1 5.700 0.030 . 1 . . . . A 536 PHE HA . 36431 1 712 . 1 . 1 66 66 PHE HB2 H 1 2.691 0.030 . 1 . . . . A 536 PHE HB2 . 36431 1 713 . 1 . 1 66 66 PHE HB3 H 1 2.691 0.030 . 1 . . . . A 536 PHE HB3 . 36431 1 714 . 1 . 1 66 66 PHE HD1 H 1 6.933 0.030 . 1 . . . . A 536 PHE HD1 . 36431 1 715 . 1 . 1 66 66 PHE HD2 H 1 6.933 0.030 . 1 . . . . A 536 PHE HD2 . 36431 1 716 . 1 . 1 66 66 PHE HE1 H 1 6.927 0.030 . 1 . . . . A 536 PHE HE1 . 36431 1 717 . 1 . 1 66 66 PHE HE2 H 1 6.927 0.030 . 1 . . . . A 536 PHE HE2 . 36431 1 718 . 1 . 1 66 66 PHE C C 13 174.822 0.300 . 1 . . . . A 536 PHE C . 36431 1 719 . 1 . 1 66 66 PHE CA C 13 56.220 0.300 . 1 . . . . A 536 PHE CA . 36431 1 720 . 1 . 1 66 66 PHE CB C 13 42.034 0.300 . 1 . . . . A 536 PHE CB . 36431 1 721 . 1 . 1 66 66 PHE CD1 C 13 130.819 0.300 . 1 . . . . A 536 PHE CD1 . 36431 1 722 . 1 . 1 66 66 PHE CD2 C 13 130.819 0.300 . 1 . . . . A 536 PHE CD2 . 36431 1 723 . 1 . 1 66 66 PHE CE1 C 13 129.199 0.300 . 1 . . . . A 536 PHE CE1 . 36431 1 724 . 1 . 1 66 66 PHE CE2 C 13 129.199 0.300 . 1 . . . . A 536 PHE CE2 . 36431 1 725 . 1 . 1 66 66 PHE N N 15 118.813 0.300 . 1 . . . . A 536 PHE N . 36431 1 726 . 1 . 1 67 67 ILE H H 1 9.575 0.030 . 1 . . . . A 537 ILE H . 36431 1 727 . 1 . 1 67 67 ILE HA H 1 4.420 0.030 . 1 . . . . A 537 ILE HA . 36431 1 728 . 1 . 1 67 67 ILE HB H 1 1.670 0.030 . 1 . . . . A 537 ILE HB . 36431 1 729 . 1 . 1 67 67 ILE HG12 H 1 1.350 0.030 . 2 . . . . A 537 ILE HG12 . 36431 1 730 . 1 . 1 67 67 ILE HG13 H 1 0.874 0.030 . 2 . . . . A 537 ILE HG13 . 36431 1 731 . 1 . 1 67 67 ILE HG21 H 1 0.835 0.030 . 1 . . . . A 537 ILE HG21 . 36431 1 732 . 1 . 1 67 67 ILE HG22 H 1 0.835 0.030 . 1 . . . . A 537 ILE HG22 . 36431 1 733 . 1 . 1 67 67 ILE HG23 H 1 0.835 0.030 . 1 . . . . A 537 ILE HG23 . 36431 1 734 . 1 . 1 67 67 ILE HD11 H 1 0.608 0.030 . 1 . . . . A 537 ILE HD11 . 36431 1 735 . 1 . 1 67 67 ILE HD12 H 1 0.608 0.030 . 1 . . . . A 537 ILE HD12 . 36431 1 736 . 1 . 1 67 67 ILE HD13 H 1 0.608 0.030 . 1 . . . . A 537 ILE HD13 . 36431 1 737 . 1 . 1 67 67 ILE C C 13 173.744 0.300 . 1 . . . . A 537 ILE C . 36431 1 738 . 1 . 1 67 67 ILE CA C 13 60.673 0.300 . 1 . . . . A 537 ILE CA . 36431 1 739 . 1 . 1 67 67 ILE CB C 13 41.527 0.300 . 1 . . . . A 537 ILE CB . 36431 1 740 . 1 . 1 67 67 ILE CG1 C 13 27.255 0.300 . 1 . . . . A 537 ILE CG1 . 36431 1 741 . 1 . 1 67 67 ILE CG2 C 13 19.325 0.300 . 1 . . . . A 537 ILE CG2 . 36431 1 742 . 1 . 1 67 67 ILE CD1 C 13 14.025 0.300 . 1 . . . . A 537 ILE CD1 . 36431 1 743 . 1 . 1 67 67 ILE N N 15 122.981 0.300 . 1 . . . . A 537 ILE N . 36431 1 744 . 1 . 1 68 68 GLU H H 1 9.149 0.030 . 1 . . . . A 538 GLU H . 36431 1 745 . 1 . 1 68 68 GLU HA H 1 4.667 0.030 . 1 . . . . A 538 GLU HA . 36431 1 746 . 1 . 1 68 68 GLU HB2 H 1 2.010 0.030 . 2 . . . . A 538 GLU HB2 . 36431 1 747 . 1 . 1 68 68 GLU HB3 H 1 1.687 0.030 . 2 . . . . A 538 GLU HB3 . 36431 1 748 . 1 . 1 68 68 GLU HG2 H 1 2.175 0.030 . 2 . . . . A 538 GLU HG2 . 36431 1 749 . 1 . 1 68 68 GLU HG3 H 1 1.993 0.030 . 2 . . . . A 538 GLU HG3 . 36431 1 750 . 1 . 1 68 68 GLU C C 13 175.253 0.300 . 1 . . . . A 538 GLU C . 36431 1 751 . 1 . 1 68 68 GLU CA C 13 54.978 0.300 . 1 . . . . A 538 GLU CA . 36431 1 752 . 1 . 1 68 68 GLU CB C 13 31.766 0.300 . 1 . . . . A 538 GLU CB . 36431 1 753 . 1 . 1 68 68 GLU CG C 13 36.189 0.300 . 1 . . . . A 538 GLU CG . 36431 1 754 . 1 . 1 68 68 GLU N N 15 129.311 0.300 . 1 . . . . A 538 GLU N . 36431 1 755 . 1 . 1 69 69 MET H H 1 8.590 0.030 . 1 . . . . A 539 MET H . 36431 1 756 . 1 . 1 69 69 MET HA H 1 5.208 0.030 . 1 . . . . A 539 MET HA . 36431 1 757 . 1 . 1 69 69 MET HB2 H 1 2.670 0.030 . 2 . . . . A 539 MET HB2 . 36431 1 758 . 1 . 1 69 69 MET HB3 H 1 2.109 0.030 . 2 . . . . A 539 MET HB3 . 36431 1 759 . 1 . 1 69 69 MET HG2 H 1 2.633 0.030 . 2 . . . . A 539 MET HG2 . 36431 1 760 . 1 . 1 69 69 MET HG3 H 1 2.190 0.030 . 2 . . . . A 539 MET HG3 . 36431 1 761 . 1 . 1 69 69 MET HE1 H 1 1.781 0.030 . 1 . . . . A 539 MET HE1 . 36431 1 762 . 1 . 1 69 69 MET HE2 H 1 1.781 0.030 . 1 . . . . A 539 MET HE2 . 36431 1 763 . 1 . 1 69 69 MET HE3 H 1 1.781 0.030 . 1 . . . . A 539 MET HE3 . 36431 1 764 . 1 . 1 69 69 MET C C 13 176.665 0.300 . 1 . . . . A 539 MET C . 36431 1 765 . 1 . 1 69 69 MET CA C 13 53.234 0.300 . 1 . . . . A 539 MET CA . 36431 1 766 . 1 . 1 69 69 MET CB C 13 31.551 0.300 . 1 . . . . A 539 MET CB . 36431 1 767 . 1 . 1 69 69 MET CG C 13 33.325 0.300 . 1 . . . . A 539 MET CG . 36431 1 768 . 1 . 1 69 69 MET CE C 13 16.619 0.300 . 1 . . . . A 539 MET CE . 36431 1 769 . 1 . 1 69 69 MET N N 15 127.238 0.300 . 1 . . . . A 539 MET N . 36431 1 770 . 1 . 1 70 70 GLU H H 1 8.656 0.030 . 1 . . . . A 540 GLU H . 36431 1 771 . 1 . 1 70 70 GLU HA H 1 3.909 0.030 . 1 . . . . A 540 GLU HA . 36431 1 772 . 1 . 1 70 70 GLU HB2 H 1 2.257 0.030 . 2 . . . . A 540 GLU HB2 . 36431 1 773 . 1 . 1 70 70 GLU HB3 H 1 2.054 0.030 . 2 . . . . A 540 GLU HB3 . 36431 1 774 . 1 . 1 70 70 GLU HG2 H 1 2.231 0.030 . 2 . . . . A 540 GLU HG2 . 36431 1 775 . 1 . 1 70 70 GLU HG3 H 1 2.178 0.030 . 2 . . . . A 540 GLU HG3 . 36431 1 776 . 1 . 1 70 70 GLU C C 13 177.231 0.300 . 1 . . . . A 540 GLU C . 36431 1 777 . 1 . 1 70 70 GLU CA C 13 60.409 0.300 . 1 . . . . A 540 GLU CA . 36431 1 778 . 1 . 1 70 70 GLU CB C 13 30.219 0.300 . 1 . . . . A 540 GLU CB . 36431 1 779 . 1 . 1 70 70 GLU CG C 13 37.106 0.300 . 1 . . . . A 540 GLU CG . 36431 1 780 . 1 . 1 70 70 GLU N N 15 119.489 0.300 . 1 . . . . A 540 GLU N . 36431 1 781 . 1 . 1 71 71 THR H H 1 8.161 0.030 . 1 . . . . A 541 THR H . 36431 1 782 . 1 . 1 71 71 THR HA H 1 4.835 0.030 . 1 . . . . A 541 THR HA . 36431 1 783 . 1 . 1 71 71 THR HB H 1 4.601 0.030 . 1 . . . . A 541 THR HB . 36431 1 784 . 1 . 1 71 71 THR HG21 H 1 1.256 0.030 . 1 . . . . A 541 THR HG21 . 36431 1 785 . 1 . 1 71 71 THR HG22 H 1 1.256 0.030 . 1 . . . . A 541 THR HG22 . 36431 1 786 . 1 . 1 71 71 THR HG23 H 1 1.256 0.030 . 1 . . . . A 541 THR HG23 . 36431 1 787 . 1 . 1 71 71 THR C C 13 174.079 0.300 . 1 . . . . A 541 THR C . 36431 1 788 . 1 . 1 71 71 THR CA C 13 58.959 0.300 . 1 . . . . A 541 THR CA . 36431 1 789 . 1 . 1 71 71 THR CB C 13 72.708 0.300 . 1 . . . . A 541 THR CB . 36431 1 790 . 1 . 1 71 71 THR CG2 C 13 21.858 0.300 . 1 . . . . A 541 THR CG2 . 36431 1 791 . 1 . 1 71 71 THR N N 15 104.139 0.300 . 1 . . . . A 541 THR N . 36431 1 792 . 1 . 1 72 72 ARG H H 1 9.071 0.030 . 1 . . . . A 542 ARG H . 36431 1 793 . 1 . 1 72 72 ARG HA H 1 3.910 0.030 . 1 . . . . A 542 ARG HA . 36431 1 794 . 1 . 1 72 72 ARG HB2 H 1 1.770 0.030 . 1 . . . . A 542 ARG HB2 . 36431 1 795 . 1 . 1 72 72 ARG HB3 H 1 1.770 0.030 . 1 . . . . A 542 ARG HB3 . 36431 1 796 . 1 . 1 72 72 ARG HG2 H 1 1.738 0.030 . 2 . . . . A 542 ARG HG2 . 36431 1 797 . 1 . 1 72 72 ARG HG3 H 1 1.573 0.030 . 2 . . . . A 542 ARG HG3 . 36431 1 798 . 1 . 1 72 72 ARG HD2 H 1 3.238 0.030 . 2 . . . . A 542 ARG HD2 . 36431 1 799 . 1 . 1 72 72 ARG HD3 H 1 3.111 0.030 . 2 . . . . A 542 ARG HD3 . 36431 1 800 . 1 . 1 72 72 ARG C C 13 177.501 0.300 . 1 . . . . A 542 ARG C . 36431 1 801 . 1 . 1 72 72 ARG CA C 13 58.788 0.300 . 1 . . . . A 542 ARG CA . 36431 1 802 . 1 . 1 72 72 ARG CB C 13 29.942 0.300 . 1 . . . . A 542 ARG CB . 36431 1 803 . 1 . 1 72 72 ARG CG C 13 27.680 0.300 . 1 . . . . A 542 ARG CG . 36431 1 804 . 1 . 1 72 72 ARG CD C 13 44.061 0.300 . 1 . . . . A 542 ARG CD . 36431 1 805 . 1 . 1 72 72 ARG N N 15 123.183 0.300 . 1 . . . . A 542 ARG N . 36431 1 806 . 1 . 1 73 73 GLU H H 1 9.178 0.030 . 1 . . . . A 543 GLU H . 36431 1 807 . 1 . 1 73 73 GLU HA H 1 3.921 0.030 . 1 . . . . A 543 GLU HA . 36431 1 808 . 1 . 1 73 73 GLU HB2 H 1 2.109 0.030 . 2 . . . . A 543 GLU HB2 . 36431 1 809 . 1 . 1 73 73 GLU HB3 H 1 1.970 0.030 . 2 . . . . A 543 GLU HB3 . 36431 1 810 . 1 . 1 73 73 GLU HG2 H 1 2.564 0.030 . 2 . . . . A 543 GLU HG2 . 36431 1 811 . 1 . 1 73 73 GLU HG3 H 1 2.272 0.030 . 2 . . . . A 543 GLU HG3 . 36431 1 812 . 1 . 1 73 73 GLU C C 13 179.188 0.300 . 1 . . . . A 543 GLU C . 36431 1 813 . 1 . 1 73 73 GLU CA C 13 60.998 0.300 . 1 . . . . A 543 GLU CA . 36431 1 814 . 1 . 1 73 73 GLU CB C 13 28.425 0.300 . 1 . . . . A 543 GLU CB . 36431 1 815 . 1 . 1 73 73 GLU CG C 13 37.562 0.300 . 1 . . . . A 543 GLU CG . 36431 1 816 . 1 . 1 73 73 GLU N N 15 118.913 0.300 . 1 . . . . A 543 GLU N . 36431 1 817 . 1 . 1 74 74 ASP H H 1 7.775 0.030 . 1 . . . . A 544 ASP H . 36431 1 818 . 1 . 1 74 74 ASP HA H 1 4.519 0.030 . 1 . . . . A 544 ASP HA . 36431 1 819 . 1 . 1 74 74 ASP HB2 H 1 2.855 0.030 . 2 . . . . A 544 ASP HB2 . 36431 1 820 . 1 . 1 74 74 ASP HB3 H 1 2.780 0.030 . 2 . . . . A 544 ASP HB3 . 36431 1 821 . 1 . 1 74 74 ASP C C 13 177.519 0.300 . 1 . . . . A 544 ASP C . 36431 1 822 . 1 . 1 74 74 ASP CA C 13 57.114 0.300 . 1 . . . . A 544 ASP CA . 36431 1 823 . 1 . 1 74 74 ASP CB C 13 40.941 0.300 . 1 . . . . A 544 ASP CB . 36431 1 824 . 1 . 1 74 74 ASP N N 15 121.735 0.300 . 1 . . . . A 544 ASP N . 36431 1 825 . 1 . 1 75 75 ALA H H 1 7.146 0.030 . 1 . . . . A 545 ALA H . 36431 1 826 . 1 . 1 75 75 ALA HA H 1 3.931 0.030 . 1 . . . . A 545 ALA HA . 36431 1 827 . 1 . 1 75 75 ALA HB1 H 1 1.320 0.030 . 1 . . . . A 545 ALA HB1 . 36431 1 828 . 1 . 1 75 75 ALA HB2 H 1 1.320 0.030 . 1 . . . . A 545 ALA HB2 . 36431 1 829 . 1 . 1 75 75 ALA HB3 H 1 1.320 0.030 . 1 . . . . A 545 ALA HB3 . 36431 1 830 . 1 . 1 75 75 ALA C C 13 178.951 0.300 . 1 . . . . A 545 ALA C . 36431 1 831 . 1 . 1 75 75 ALA CA C 13 55.333 0.300 . 1 . . . . A 545 ALA CA . 36431 1 832 . 1 . 1 75 75 ALA CB C 13 17.499 0.300 . 1 . . . . A 545 ALA CB . 36431 1 833 . 1 . 1 75 75 ALA N N 15 120.456 0.300 . 1 . . . . A 545 ALA N . 36431 1 834 . 1 . 1 76 76 MET H H 1 8.610 0.030 . 1 . . . . A 546 MET H . 36431 1 835 . 1 . 1 76 76 MET HA H 1 4.048 0.030 . 1 . . . . A 546 MET HA . 36431 1 836 . 1 . 1 76 76 MET HB2 H 1 2.054 0.030 . 1 . . . . A 546 MET HB2 . 36431 1 837 . 1 . 1 76 76 MET HB3 H 1 2.054 0.030 . 1 . . . . A 546 MET HB3 . 36431 1 838 . 1 . 1 76 76 MET HG2 H 1 2.688 0.030 . 2 . . . . A 546 MET HG2 . 36431 1 839 . 1 . 1 76 76 MET HG3 H 1 2.481 0.030 . 2 . . . . A 546 MET HG3 . 36431 1 840 . 1 . 1 76 76 MET HE1 H 1 2.050 0.030 . 1 . . . . A 546 MET HE1 . 36431 1 841 . 1 . 1 76 76 MET HE2 H 1 2.050 0.030 . 1 . . . . A 546 MET HE2 . 36431 1 842 . 1 . 1 76 76 MET HE3 H 1 2.050 0.030 . 1 . . . . A 546 MET HE3 . 36431 1 843 . 1 . 1 76 76 MET C C 13 178.297 0.300 . 1 . . . . A 546 MET C . 36431 1 844 . 1 . 1 76 76 MET CA C 13 57.601 0.300 . 1 . . . . A 546 MET CA . 36431 1 845 . 1 . 1 76 76 MET CB C 13 31.810 0.300 . 1 . . . . A 546 MET CB . 36431 1 846 . 1 . 1 76 76 MET CG C 13 32.132 0.300 . 1 . . . . A 546 MET CG . 36431 1 847 . 1 . 1 76 76 MET CE C 13 16.420 0.300 . 1 . . . . A 546 MET CE . 36431 1 848 . 1 . 1 76 76 MET N N 15 114.593 0.300 . 1 . . . . A 546 MET N . 36431 1 849 . 1 . 1 77 77 ALA H H 1 8.055 0.030 . 1 . . . . A 547 ALA H . 36431 1 850 . 1 . 1 77 77 ALA HA H 1 4.250 0.030 . 1 . . . . A 547 ALA HA . 36431 1 851 . 1 . 1 77 77 ALA HB1 H 1 1.760 0.030 . 1 . . . . A 547 ALA HB1 . 36431 1 852 . 1 . 1 77 77 ALA HB2 H 1 1.760 0.030 . 1 . . . . A 547 ALA HB2 . 36431 1 853 . 1 . 1 77 77 ALA HB3 H 1 1.760 0.030 . 1 . . . . A 547 ALA HB3 . 36431 1 854 . 1 . 1 77 77 ALA C C 13 180.587 0.300 . 1 . . . . A 547 ALA C . 36431 1 855 . 1 . 1 77 77 ALA CA C 13 55.186 0.300 . 1 . . . . A 547 ALA CA . 36431 1 856 . 1 . 1 77 77 ALA CB C 13 18.238 0.300 . 1 . . . . A 547 ALA CB . 36431 1 857 . 1 . 1 77 77 ALA N N 15 121.713 0.300 . 1 . . . . A 547 ALA N . 36431 1 858 . 1 . 1 78 78 MET H H 1 7.452 0.030 . 1 . . . . A 548 MET H . 36431 1 859 . 1 . 1 78 78 MET HA H 1 2.898 0.030 . 1 . . . . A 548 MET HA . 36431 1 860 . 1 . 1 78 78 MET HB2 H 1 1.861 0.030 . 2 . . . . A 548 MET HB2 . 36431 1 861 . 1 . 1 78 78 MET HB3 H 1 1.240 0.030 . 2 . . . . A 548 MET HB3 . 36431 1 862 . 1 . 1 78 78 MET HG2 H 1 2.088 0.030 . 2 . . . . A 548 MET HG2 . 36431 1 863 . 1 . 1 78 78 MET HG3 H 1 1.589 0.030 . 2 . . . . A 548 MET HG3 . 36431 1 864 . 1 . 1 78 78 MET HE1 H 1 1.740 0.030 . 1 . . . . A 548 MET HE1 . 36431 1 865 . 1 . 1 78 78 MET HE2 H 1 1.740 0.030 . 1 . . . . A 548 MET HE2 . 36431 1 866 . 1 . 1 78 78 MET HE3 H 1 1.740 0.030 . 1 . . . . A 548 MET HE3 . 36431 1 867 . 1 . 1 78 78 MET C C 13 177.737 0.300 . 1 . . . . A 548 MET C . 36431 1 868 . 1 . 1 78 78 MET CA C 13 60.143 0.300 . 1 . . . . A 548 MET CA . 36431 1 869 . 1 . 1 78 78 MET CB C 13 30.951 0.300 . 1 . . . . A 548 MET CB . 36431 1 870 . 1 . 1 78 78 MET CG C 13 34.060 0.300 . 1 . . . . A 548 MET CG . 36431 1 871 . 1 . 1 78 78 MET CE C 13 18.109 0.300 . 1 . . . . A 548 MET CE . 36431 1 872 . 1 . 1 78 78 MET N N 15 118.698 0.300 . 1 . . . . A 548 MET N . 36431 1 873 . 1 . 1 79 79 VAL H H 1 7.690 0.030 . 1 . . . . A 549 VAL H . 36431 1 874 . 1 . 1 79 79 VAL HA H 1 3.171 0.030 . 1 . . . . A 549 VAL HA . 36431 1 875 . 1 . 1 79 79 VAL HB H 1 2.049 0.030 . 1 . . . . A 549 VAL HB . 36431 1 876 . 1 . 1 79 79 VAL HG11 H 1 0.840 0.030 . 2 . . . . A 549 VAL HG11 . 36431 1 877 . 1 . 1 79 79 VAL HG12 H 1 0.840 0.030 . 2 . . . . A 549 VAL HG12 . 36431 1 878 . 1 . 1 79 79 VAL HG13 H 1 0.840 0.030 . 2 . . . . A 549 VAL HG13 . 36431 1 879 . 1 . 1 79 79 VAL HG21 H 1 0.951 0.030 . 2 . . . . A 549 VAL HG21 . 36431 1 880 . 1 . 1 79 79 VAL HG22 H 1 0.951 0.030 . 2 . . . . A 549 VAL HG22 . 36431 1 881 . 1 . 1 79 79 VAL HG23 H 1 0.951 0.030 . 2 . . . . A 549 VAL HG23 . 36431 1 882 . 1 . 1 79 79 VAL C C 13 178.266 0.300 . 1 . . . . A 549 VAL C . 36431 1 883 . 1 . 1 79 79 VAL CA C 13 67.155 0.300 . 1 . . . . A 549 VAL CA . 36431 1 884 . 1 . 1 79 79 VAL CB C 13 31.716 0.300 . 1 . . . . A 549 VAL CB . 36431 1 885 . 1 . 1 79 79 VAL CG1 C 13 23.280 0.300 . 2 . . . . A 549 VAL CG1 . 36431 1 886 . 1 . 1 79 79 VAL CG2 C 13 21.133 0.300 . 2 . . . . A 549 VAL CG2 . 36431 1 887 . 1 . 1 79 79 VAL N N 15 118.993 0.300 . 1 . . . . A 549 VAL N . 36431 1 888 . 1 . 1 80 80 ASP H H 1 8.604 0.030 . 1 . . . . A 550 ASP H . 36431 1 889 . 1 . 1 80 80 ASP HA H 1 4.350 0.030 . 1 . . . . A 550 ASP HA . 36431 1 890 . 1 . 1 80 80 ASP HB2 H 1 2.560 0.030 . 2 . . . . A 550 ASP HB2 . 36431 1 891 . 1 . 1 80 80 ASP HB3 H 1 2.739 0.030 . 2 . . . . A 550 ASP HB3 . 36431 1 892 . 1 . 1 80 80 ASP C C 13 179.280 0.300 . 1 . . . . A 550 ASP C . 36431 1 893 . 1 . 1 80 80 ASP CA C 13 57.687 0.300 . 1 . . . . A 550 ASP CA . 36431 1 894 . 1 . 1 80 80 ASP CB C 13 41.357 0.300 . 1 . . . . A 550 ASP CB . 36431 1 895 . 1 . 1 80 80 ASP N N 15 118.407 0.300 . 1 . . . . A 550 ASP N . 36431 1 896 . 1 . 1 81 81 HIS H H 1 8.165 0.030 . 1 . . . . A 551 HIS H . 36431 1 897 . 1 . 1 81 81 HIS HA H 1 4.280 0.030 . 1 . . . . A 551 HIS HA . 36431 1 898 . 1 . 1 81 81 HIS HB2 H 1 3.400 0.030 . 2 . . . . A 551 HIS HB2 . 36431 1 899 . 1 . 1 81 81 HIS HB3 H 1 3.293 0.030 . 2 . . . . A 551 HIS HB3 . 36431 1 900 . 1 . 1 81 81 HIS HD2 H 1 7.233 0.030 . 1 . . . . A 551 HIS HD2 . 36431 1 901 . 1 . 1 81 81 HIS HE1 H 1 7.827 0.030 . 1 . . . . A 551 HIS HE1 . 36431 1 902 . 1 . 1 81 81 HIS C C 13 178.569 0.300 . 1 . . . . A 551 HIS C . 36431 1 903 . 1 . 1 81 81 HIS CA C 13 60.602 0.300 . 1 . . . . A 551 HIS CA . 36431 1 904 . 1 . 1 81 81 HIS CB C 13 30.886 0.300 . 1 . . . . A 551 HIS CB . 36431 1 905 . 1 . 1 81 81 HIS CD2 C 13 120.912 0.300 . 1 . . . . A 551 HIS CD2 . 36431 1 906 . 1 . 1 81 81 HIS CE1 C 13 138.669 0.300 . 1 . . . . A 551 HIS CE1 . 36431 1 907 . 1 . 1 81 81 HIS N N 15 118.263 0.300 . 1 . . . . A 551 HIS N . 36431 1 908 . 1 . 1 82 82 CYS H H 1 8.001 0.030 . 1 . . . . A 552 CYS H . 36431 1 909 . 1 . 1 82 82 CYS HA H 1 4.681 0.030 . 1 . . . . A 552 CYS HA . 36431 1 910 . 1 . 1 82 82 CYS HB2 H 1 2.913 0.030 . 1 . . . . A 552 CYS HB2 . 36431 1 911 . 1 . 1 82 82 CYS HB3 H 1 2.913 0.030 . 1 . . . . A 552 CYS HB3 . 36431 1 912 . 1 . 1 82 82 CYS C C 13 175.224 0.300 . 1 . . . . A 552 CYS C . 36431 1 913 . 1 . 1 82 82 CYS CA C 13 61.473 0.300 . 1 . . . . A 552 CYS CA . 36431 1 914 . 1 . 1 82 82 CYS CB C 13 26.794 0.300 . 1 . . . . A 552 CYS CB . 36431 1 915 . 1 . 1 82 82 CYS N N 15 115.207 0.300 . 1 . . . . A 552 CYS N . 36431 1 916 . 1 . 1 83 83 LEU H H 1 7.508 0.030 . 1 . . . . A 553 LEU H . 36431 1 917 . 1 . 1 83 83 LEU HA H 1 4.149 0.030 . 1 . . . . A 553 LEU HA . 36431 1 918 . 1 . 1 83 83 LEU HB2 H 1 1.860 0.030 . 2 . . . . A 553 LEU HB2 . 36431 1 919 . 1 . 1 83 83 LEU HB3 H 1 1.570 0.030 . 2 . . . . A 553 LEU HB3 . 36431 1 920 . 1 . 1 83 83 LEU HG H 1 1.817 0.030 . 1 . . . . A 553 LEU HG . 36431 1 921 . 1 . 1 83 83 LEU HD11 H 1 0.916 0.030 . 2 . . . . A 553 LEU HD11 . 36431 1 922 . 1 . 1 83 83 LEU HD12 H 1 0.916 0.030 . 2 . . . . A 553 LEU HD12 . 36431 1 923 . 1 . 1 83 83 LEU HD13 H 1 0.916 0.030 . 2 . . . . A 553 LEU HD13 . 36431 1 924 . 1 . 1 83 83 LEU HD21 H 1 0.886 0.030 . 2 . . . . A 553 LEU HD21 . 36431 1 925 . 1 . 1 83 83 LEU HD22 H 1 0.886 0.030 . 2 . . . . A 553 LEU HD22 . 36431 1 926 . 1 . 1 83 83 LEU HD23 H 1 0.886 0.030 . 2 . . . . A 553 LEU HD23 . 36431 1 927 . 1 . 1 83 83 LEU C C 13 178.713 0.300 . 1 . . . . A 553 LEU C . 36431 1 928 . 1 . 1 83 83 LEU CA C 13 56.935 0.300 . 1 . . . . A 553 LEU CA . 36431 1 929 . 1 . 1 83 83 LEU CB C 13 42.369 0.300 . 1 . . . . A 553 LEU CB . 36431 1 930 . 1 . 1 83 83 LEU CG C 13 26.695 0.300 . 1 . . . . A 553 LEU CG . 36431 1 931 . 1 . 1 83 83 LEU CD1 C 13 25.000 0.300 . 2 . . . . A 553 LEU CD1 . 36431 1 932 . 1 . 1 83 83 LEU CD2 C 13 23.667 0.300 . 2 . . . . A 553 LEU CD2 . 36431 1 933 . 1 . 1 83 83 LEU N N 15 119.932 0.300 . 1 . . . . A 553 LEU N . 36431 1 934 . 1 . 1 84 84 LYS H H 1 7.131 0.030 . 1 . . . . A 554 LYS H . 36431 1 935 . 1 . 1 84 84 LYS HA H 1 4.191 0.030 . 1 . . . . A 554 LYS HA . 36431 1 936 . 1 . 1 84 84 LYS HB2 H 1 1.849 0.030 . 2 . . . . A 554 LYS HB2 . 36431 1 937 . 1 . 1 84 84 LYS HB3 H 1 1.810 0.030 . 2 . . . . A 554 LYS HB3 . 36431 1 938 . 1 . 1 84 84 LYS HG2 H 1 1.500 0.030 . 2 . . . . A 554 LYS HG2 . 36431 1 939 . 1 . 1 84 84 LYS HG3 H 1 1.409 0.030 . 2 . . . . A 554 LYS HG3 . 36431 1 940 . 1 . 1 84 84 LYS HD2 H 1 1.675 0.030 . 2 . . . . A 554 LYS HD2 . 36431 1 941 . 1 . 1 84 84 LYS HD3 H 1 1.612 0.030 . 2 . . . . A 554 LYS HD3 . 36431 1 942 . 1 . 1 84 84 LYS HE2 H 1 2.942 0.030 . 1 . . . . A 554 LYS HE2 . 36431 1 943 . 1 . 1 84 84 LYS HE3 H 1 2.942 0.030 . 1 . . . . A 554 LYS HE3 . 36431 1 944 . 1 . 1 84 84 LYS C C 13 176.712 0.300 . 1 . . . . A 554 LYS C . 36431 1 945 . 1 . 1 84 84 LYS CA C 13 57.484 0.300 . 1 . . . . A 554 LYS CA . 36431 1 946 . 1 . 1 84 84 LYS CB C 13 33.562 0.300 . 1 . . . . A 554 LYS CB . 36431 1 947 . 1 . 1 84 84 LYS CG C 13 25.329 0.300 . 1 . . . . A 554 LYS CG . 36431 1 948 . 1 . 1 84 84 LYS CD C 13 29.031 0.300 . 1 . . . . A 554 LYS CD . 36431 1 949 . 1 . 1 84 84 LYS CE C 13 42.278 0.300 . 1 . . . . A 554 LYS CE . 36431 1 950 . 1 . 1 84 84 LYS N N 15 117.780 0.300 . 1 . . . . A 554 LYS N . 36431 1 951 . 1 . 1 85 85 LYS H H 1 8.071 0.030 . 1 . . . . A 555 LYS H . 36431 1 952 . 1 . 1 85 85 LYS HA H 1 4.365 0.030 . 1 . . . . A 555 LYS HA . 36431 1 953 . 1 . 1 85 85 LYS HB2 H 1 1.432 0.030 . 2 . . . . A 555 LYS HB2 . 36431 1 954 . 1 . 1 85 85 LYS HB3 H 1 1.601 0.030 . 2 . . . . A 555 LYS HB3 . 36431 1 955 . 1 . 1 85 85 LYS HG2 H 1 1.315 0.030 . 2 . . . . A 555 LYS HG2 . 36431 1 956 . 1 . 1 85 85 LYS HG3 H 1 1.281 0.030 . 2 . . . . A 555 LYS HG3 . 36431 1 957 . 1 . 1 85 85 LYS HD2 H 1 1.657 0.030 . 1 . . . . A 555 LYS HD2 . 36431 1 958 . 1 . 1 85 85 LYS HD3 H 1 1.657 0.030 . 1 . . . . A 555 LYS HD3 . 36431 1 959 . 1 . 1 85 85 LYS HE2 H 1 3.009 0.030 . 1 . . . . A 555 LYS HE2 . 36431 1 960 . 1 . 1 85 85 LYS HE3 H 1 3.009 0.030 . 1 . . . . A 555 LYS HE3 . 36431 1 961 . 1 . 1 85 85 LYS C C 13 173.349 0.300 . 1 . . . . A 555 LYS C . 36431 1 962 . 1 . 1 85 85 LYS CA C 13 55.110 0.300 . 1 . . . . A 555 LYS CA . 36431 1 963 . 1 . 1 85 85 LYS CB C 13 33.344 0.300 . 1 . . . . A 555 LYS CB . 36431 1 964 . 1 . 1 85 85 LYS CG C 13 24.671 0.300 . 1 . . . . A 555 LYS CG . 36431 1 965 . 1 . 1 85 85 LYS CD C 13 29.114 0.300 . 1 . . . . A 555 LYS CD . 36431 1 966 . 1 . 1 85 85 LYS CE C 13 42.278 0.300 . 1 . . . . A 555 LYS CE . 36431 1 967 . 1 . 1 85 85 LYS N N 15 122.600 0.300 . 1 . . . . A 555 LYS N . 36431 1 968 . 1 . 1 86 86 ALA H H 1 8.051 0.030 . 1 . . . . A 556 ALA H . 36431 1 969 . 1 . 1 86 86 ALA HA H 1 4.186 0.030 . 1 . . . . A 556 ALA HA . 36431 1 970 . 1 . 1 86 86 ALA HB1 H 1 1.259 0.030 . 1 . . . . A 556 ALA HB1 . 36431 1 971 . 1 . 1 86 86 ALA HB2 H 1 1.259 0.030 . 1 . . . . A 556 ALA HB2 . 36431 1 972 . 1 . 1 86 86 ALA HB3 H 1 1.259 0.030 . 1 . . . . A 556 ALA HB3 . 36431 1 973 . 1 . 1 86 86 ALA C C 13 176.881 0.300 . 1 . . . . A 556 ALA C . 36431 1 974 . 1 . 1 86 86 ALA CA C 13 53.073 0.300 . 1 . . . . A 556 ALA CA . 36431 1 975 . 1 . 1 86 86 ALA CB C 13 19.672 0.300 . 1 . . . . A 556 ALA CB . 36431 1 976 . 1 . 1 86 86 ALA N N 15 126.618 0.300 . 1 . . . . A 556 ALA N . 36431 1 977 . 1 . 1 87 87 LEU H H 1 8.880 0.030 . 1 . . . . A 557 LEU H . 36431 1 978 . 1 . 1 87 87 LEU HA H 1 4.499 0.030 . 1 . . . . A 557 LEU HA . 36431 1 979 . 1 . 1 87 87 LEU HB2 H 1 1.505 0.030 . 2 . . . . A 557 LEU HB2 . 36431 1 980 . 1 . 1 87 87 LEU HB3 H 1 1.928 0.030 . 2 . . . . A 557 LEU HB3 . 36431 1 981 . 1 . 1 87 87 LEU HG H 1 1.379 0.030 . 1 . . . . A 557 LEU HG . 36431 1 982 . 1 . 1 87 87 LEU HD11 H 1 0.752 0.030 . 2 . . . . A 557 LEU HD11 . 36431 1 983 . 1 . 1 87 87 LEU HD12 H 1 0.752 0.030 . 2 . . . . A 557 LEU HD12 . 36431 1 984 . 1 . 1 87 87 LEU HD13 H 1 0.752 0.030 . 2 . . . . A 557 LEU HD13 . 36431 1 985 . 1 . 1 87 87 LEU HD21 H 1 1.073 0.030 . 2 . . . . A 557 LEU HD21 . 36431 1 986 . 1 . 1 87 87 LEU HD22 H 1 1.073 0.030 . 2 . . . . A 557 LEU HD22 . 36431 1 987 . 1 . 1 87 87 LEU HD23 H 1 1.073 0.030 . 2 . . . . A 557 LEU HD23 . 36431 1 988 . 1 . 1 87 87 LEU C C 13 174.120 0.300 . 1 . . . . A 557 LEU C . 36431 1 989 . 1 . 1 87 87 LEU CA C 13 54.297 0.300 . 1 . . . . A 557 LEU CA . 36431 1 990 . 1 . 1 87 87 LEU CB C 13 43.211 0.300 . 1 . . . . A 557 LEU CB . 36431 1 991 . 1 . 1 87 87 LEU CG C 13 27.426 0.300 . 1 . . . . A 557 LEU CG . 36431 1 992 . 1 . 1 87 87 LEU CD1 C 13 25.907 0.300 . 2 . . . . A 557 LEU CD1 . 36431 1 993 . 1 . 1 87 87 LEU CD2 C 13 23.989 0.300 . 2 . . . . A 557 LEU CD2 . 36431 1 994 . 1 . 1 87 87 LEU N N 15 125.602 0.300 . 1 . . . . A 557 LEU N . 36431 1 995 . 1 . 1 88 88 TRP H H 1 8.397 0.030 . 1 . . . . A 558 TRP H . 36431 1 996 . 1 . 1 88 88 TRP HA H 1 5.201 0.030 . 1 . . . . A 558 TRP HA . 36431 1 997 . 1 . 1 88 88 TRP HB2 H 1 3.110 0.030 . 2 . . . . A 558 TRP HB2 . 36431 1 998 . 1 . 1 88 88 TRP HB3 H 1 2.931 0.030 . 2 . . . . A 558 TRP HB3 . 36431 1 999 . 1 . 1 88 88 TRP HD1 H 1 7.141 0.030 . 1 . . . . A 558 TRP HD1 . 36431 1 1000 . 1 . 1 88 88 TRP HE1 H 1 10.043 0.030 . 1 . . . . A 558 TRP HE1 . 36431 1 1001 . 1 . 1 88 88 TRP HE3 H 1 7.030 0.030 . 1 . . . . A 558 TRP HE3 . 36431 1 1002 . 1 . 1 88 88 TRP HZ2 H 1 7.440 0.030 . 1 . . . . A 558 TRP HZ2 . 36431 1 1003 . 1 . 1 88 88 TRP HZ3 H 1 7.158 0.030 . 1 . . . . A 558 TRP HZ3 . 36431 1 1004 . 1 . 1 88 88 TRP HH2 H 1 6.959 0.030 . 1 . . . . A 558 TRP HH2 . 36431 1 1005 . 1 . 1 88 88 TRP C C 13 176.098 0.300 . 1 . . . . A 558 TRP C . 36431 1 1006 . 1 . 1 88 88 TRP CA C 13 56.142 0.300 . 1 . . . . A 558 TRP CA . 36431 1 1007 . 1 . 1 88 88 TRP CB C 13 30.552 0.300 . 1 . . . . A 558 TRP CB . 36431 1 1008 . 1 . 1 88 88 TRP CD1 C 13 126.893 0.300 . 1 . . . . A 558 TRP CD1 . 36431 1 1009 . 1 . 1 88 88 TRP CE3 C 13 119.853 0.300 . 1 . . . . A 558 TRP CE3 . 36431 1 1010 . 1 . 1 88 88 TRP CZ2 C 13 114.183 0.300 . 1 . . . . A 558 TRP CZ2 . 36431 1 1011 . 1 . 1 88 88 TRP CZ3 C 13 124.401 0.300 . 1 . . . . A 558 TRP CZ3 . 36431 1 1012 . 1 . 1 88 88 TRP CH2 C 13 121.909 0.300 . 1 . . . . A 558 TRP CH2 . 36431 1 1013 . 1 . 1 88 88 TRP N N 15 126.497 0.300 . 1 . . . . A 558 TRP N . 36431 1 1014 . 1 . 1 88 88 TRP NE1 N 15 129.264 0.300 . 1 . . . . A 558 TRP NE1 . 36431 1 1015 . 1 . 1 89 89 PHE H H 1 9.356 0.030 . 1 . . . . A 559 PHE H . 36431 1 1016 . 1 . 1 89 89 PHE HA H 1 4.833 0.030 . 1 . . . . A 559 PHE HA . 36431 1 1017 . 1 . 1 89 89 PHE HB2 H 1 2.801 0.030 . 2 . . . . A 559 PHE HB2 . 36431 1 1018 . 1 . 1 89 89 PHE HB3 H 1 2.597 0.030 . 2 . . . . A 559 PHE HB3 . 36431 1 1019 . 1 . 1 89 89 PHE HD1 H 1 6.952 0.030 . 1 . . . . A 559 PHE HD1 . 36431 1 1020 . 1 . 1 89 89 PHE HD2 H 1 6.952 0.030 . 1 . . . . A 559 PHE HD2 . 36431 1 1021 . 1 . 1 89 89 PHE HE1 H 1 6.595 0.030 . 1 . . . . A 559 PHE HE1 . 36431 1 1022 . 1 . 1 89 89 PHE HE2 H 1 6.595 0.030 . 1 . . . . A 559 PHE HE2 . 36431 1 1023 . 1 . 1 89 89 PHE HZ H 1 6.702 0.030 . 1 . . . . A 559 PHE HZ . 36431 1 1024 . 1 . 1 89 89 PHE C C 13 173.602 0.300 . 1 . . . . A 559 PHE C . 36431 1 1025 . 1 . 1 89 89 PHE CA C 13 56.477 0.300 . 1 . . . . A 559 PHE CA . 36431 1 1026 . 1 . 1 89 89 PHE CB C 13 42.394 0.300 . 1 . . . . A 559 PHE CB . 36431 1 1027 . 1 . 1 89 89 PHE CD1 C 13 131.442 0.300 . 1 . . . . A 559 PHE CD1 . 36431 1 1028 . 1 . 1 89 89 PHE CD2 C 13 131.442 0.300 . 1 . . . . A 559 PHE CD2 . 36431 1 1029 . 1 . 1 89 89 PHE CE1 C 13 130.694 0.300 . 1 . . . . A 559 PHE CE1 . 36431 1 1030 . 1 . 1 89 89 PHE CE2 C 13 130.694 0.300 . 1 . . . . A 559 PHE CE2 . 36431 1 1031 . 1 . 1 89 89 PHE CZ C 13 129.249 0.300 . 1 . . . . A 559 PHE CZ . 36431 1 1032 . 1 . 1 89 89 PHE N N 15 123.207 0.300 . 1 . . . . A 559 PHE N . 36431 1 1033 . 1 . 1 90 90 GLN H H 1 9.067 0.030 . 1 . . . . A 560 GLN H . 36431 1 1034 . 1 . 1 90 90 GLN HA H 1 3.570 0.030 . 1 . . . . A 560 GLN HA . 36431 1 1035 . 1 . 1 90 90 GLN HB2 H 1 1.897 0.030 . 2 . . . . A 560 GLN HB2 . 36431 1 1036 . 1 . 1 90 90 GLN HB3 H 1 1.307 0.030 . 2 . . . . A 560 GLN HB3 . 36431 1 1037 . 1 . 1 90 90 GLN HG2 H 1 1.392 0.030 . 2 . . . . A 560 GLN HG2 . 36431 1 1038 . 1 . 1 90 90 GLN HG3 H 1 1.125 0.030 . 2 . . . . A 560 GLN HG3 . 36431 1 1039 . 1 . 1 90 90 GLN HE21 H 1 6.635 0.030 . 2 . . . . A 560 GLN HE21 . 36431 1 1040 . 1 . 1 90 90 GLN HE22 H 1 6.958 0.030 . 2 . . . . A 560 GLN HE22 . 36431 1 1041 . 1 . 1 90 90 GLN C C 13 175.702 0.300 . 1 . . . . A 560 GLN C . 36431 1 1042 . 1 . 1 90 90 GLN CA C 13 56.317 0.300 . 1 . . . . A 560 GLN CA . 36431 1 1043 . 1 . 1 90 90 GLN CB C 13 26.387 0.300 . 1 . . . . A 560 GLN CB . 36431 1 1044 . 1 . 1 90 90 GLN CG C 13 33.390 0.300 . 1 . . . . A 560 GLN CG . 36431 1 1045 . 1 . 1 90 90 GLN N N 15 124.534 0.300 . 1 . . . . A 560 GLN N . 36431 1 1046 . 1 . 1 90 90 GLN NE2 N 15 109.202 0.300 . 1 . . . . A 560 GLN NE2 . 36431 1 1047 . 1 . 1 91 91 GLY H H 1 8.623 0.030 . 1 . . . . A 561 GLY H . 36431 1 1048 . 1 . 1 91 91 GLY HA2 H 1 4.192 0.030 . 2 . . . . A 561 GLY HA2 . 36431 1 1049 . 1 . 1 91 91 GLY HA3 H 1 3.711 0.030 . 2 . . . . A 561 GLY HA3 . 36431 1 1050 . 1 . 1 91 91 GLY C C 13 174.021 0.300 . 1 . . . . A 561 GLY C . 36431 1 1051 . 1 . 1 91 91 GLY CA C 13 45.490 0.300 . 1 . . . . A 561 GLY CA . 36431 1 1052 . 1 . 1 91 91 GLY N N 15 102.847 0.300 . 1 . . . . A 561 GLY N . 36431 1 1053 . 1 . 1 92 92 ARG H H 1 7.961 0.030 . 1 . . . . A 562 ARG H . 36431 1 1054 . 1 . 1 92 92 ARG HA H 1 4.559 0.030 . 1 . . . . A 562 ARG HA . 36431 1 1055 . 1 . 1 92 92 ARG HB2 H 1 1.853 0.030 . 2 . . . . A 562 ARG HB2 . 36431 1 1056 . 1 . 1 92 92 ARG HB3 H 1 1.775 0.030 . 2 . . . . A 562 ARG HB3 . 36431 1 1057 . 1 . 1 92 92 ARG HG2 H 1 1.559 0.030 . 2 . . . . A 562 ARG HG2 . 36431 1 1058 . 1 . 1 92 92 ARG HG3 H 1 1.483 0.030 . 2 . . . . A 562 ARG HG3 . 36431 1 1059 . 1 . 1 92 92 ARG HD2 H 1 3.076 0.030 . 2 . . . . A 562 ARG HD2 . 36431 1 1060 . 1 . 1 92 92 ARG HD3 H 1 2.953 0.030 . 2 . . . . A 562 ARG HD3 . 36431 1 1061 . 1 . 1 92 92 ARG C C 13 173.612 0.300 . 1 . . . . A 562 ARG C . 36431 1 1062 . 1 . 1 92 92 ARG CA C 13 53.890 0.300 . 1 . . . . A 562 ARG CA . 36431 1 1063 . 1 . 1 92 92 ARG CB C 13 32.832 0.300 . 1 . . . . A 562 ARG CB . 36431 1 1064 . 1 . 1 92 92 ARG CG C 13 27.057 0.300 . 1 . . . . A 562 ARG CG . 36431 1 1065 . 1 . 1 92 92 ARG CD C 13 43.159 0.300 . 1 . . . . A 562 ARG CD . 36431 1 1066 . 1 . 1 92 92 ARG N N 15 119.909 0.300 . 1 . . . . A 562 ARG N . 36431 1 1067 . 1 . 1 93 93 CYS H H 1 8.285 0.030 . 1 . . . . A 563 CYS H . 36431 1 1068 . 1 . 1 93 93 CYS HA H 1 3.635 0.030 . 1 . . . . A 563 CYS HA . 36431 1 1069 . 1 . 1 93 93 CYS HB2 H 1 1.222 0.030 . 2 . . . . A 563 CYS HB2 . 36431 1 1070 . 1 . 1 93 93 CYS HB3 H 1 2.120 0.030 . 2 . . . . A 563 CYS HB3 . 36431 1 1071 . 1 . 1 93 93 CYS C C 13 174.605 0.300 . 1 . . . . A 563 CYS C . 36431 1 1072 . 1 . 1 93 93 CYS CA C 13 58.151 0.300 . 1 . . . . A 563 CYS CA . 36431 1 1073 . 1 . 1 93 93 CYS CB C 13 25.109 0.300 . 1 . . . . A 563 CYS CB . 36431 1 1074 . 1 . 1 93 93 CYS N N 15 123.492 0.300 . 1 . . . . A 563 CYS N . 36431 1 1075 . 1 . 1 94 94 VAL H H 1 8.822 0.030 . 1 . . . . A 564 VAL H . 36431 1 1076 . 1 . 1 94 94 VAL HA H 1 3.889 0.030 . 1 . . . . A 564 VAL HA . 36431 1 1077 . 1 . 1 94 94 VAL HB H 1 1.771 0.030 . 1 . . . . A 564 VAL HB . 36431 1 1078 . 1 . 1 94 94 VAL HG11 H 1 0.780 0.030 . 2 . . . . A 564 VAL HG11 . 36431 1 1079 . 1 . 1 94 94 VAL HG12 H 1 0.780 0.030 . 2 . . . . A 564 VAL HG12 . 36431 1 1080 . 1 . 1 94 94 VAL HG13 H 1 0.780 0.030 . 2 . . . . A 564 VAL HG13 . 36431 1 1081 . 1 . 1 94 94 VAL HG21 H 1 0.751 0.030 . 2 . . . . A 564 VAL HG21 . 36431 1 1082 . 1 . 1 94 94 VAL HG22 H 1 0.751 0.030 . 2 . . . . A 564 VAL HG22 . 36431 1 1083 . 1 . 1 94 94 VAL HG23 H 1 0.751 0.030 . 2 . . . . A 564 VAL HG23 . 36431 1 1084 . 1 . 1 94 94 VAL C C 13 174.344 0.300 . 1 . . . . A 564 VAL C . 36431 1 1085 . 1 . 1 94 94 VAL CA C 13 62.441 0.300 . 1 . . . . A 564 VAL CA . 36431 1 1086 . 1 . 1 94 94 VAL CB C 13 33.019 0.300 . 1 . . . . A 564 VAL CB . 36431 1 1087 . 1 . 1 94 94 VAL CG1 C 13 23.322 0.300 . 2 . . . . A 564 VAL CG1 . 36431 1 1088 . 1 . 1 94 94 VAL CG2 C 13 22.391 0.300 . 2 . . . . A 564 VAL CG2 . 36431 1 1089 . 1 . 1 94 94 VAL N N 15 134.118 0.300 . 1 . . . . A 564 VAL N . 36431 1 1090 . 1 . 1 95 95 LYS H H 1 7.827 0.030 . 1 . . . . A 565 LYS H . 36431 1 1091 . 1 . 1 95 95 LYS HA H 1 4.228 0.030 . 1 . . . . A 565 LYS HA . 36431 1 1092 . 1 . 1 95 95 LYS HB2 H 1 1.668 0.030 . 2 . . . . A 565 LYS HB2 . 36431 1 1093 . 1 . 1 95 95 LYS HB3 H 1 1.460 0.030 . 2 . . . . A 565 LYS HB3 . 36431 1 1094 . 1 . 1 95 95 LYS HG2 H 1 1.238 0.030 . 1 . . . . A 565 LYS HG2 . 36431 1 1095 . 1 . 1 95 95 LYS HG3 H 1 1.238 0.030 . 1 . . . . A 565 LYS HG3 . 36431 1 1096 . 1 . 1 95 95 LYS HD2 H 1 1.457 0.030 . 1 . . . . A 565 LYS HD2 . 36431 1 1097 . 1 . 1 95 95 LYS HD3 H 1 1.457 0.030 . 1 . . . . A 565 LYS HD3 . 36431 1 1098 . 1 . 1 95 95 LYS HE2 H 1 2.883 0.030 . 1 . . . . A 565 LYS HE2 . 36431 1 1099 . 1 . 1 95 95 LYS HE3 H 1 2.883 0.030 . 1 . . . . A 565 LYS HE3 . 36431 1 1100 . 1 . 1 95 95 LYS C C 13 175.002 0.300 . 1 . . . . A 565 LYS C . 36431 1 1101 . 1 . 1 95 95 LYS CA C 13 55.712 0.300 . 1 . . . . A 565 LYS CA . 36431 1 1102 . 1 . 1 95 95 LYS CB C 13 33.121 0.300 . 1 . . . . A 565 LYS CB . 36431 1 1103 . 1 . 1 95 95 LYS CG C 13 24.835 0.300 . 1 . . . . A 565 LYS CG . 36431 1 1104 . 1 . 1 95 95 LYS CD C 13 29.078 0.300 . 1 . . . . A 565 LYS CD . 36431 1 1105 . 1 . 1 95 95 LYS CE C 13 42.196 0.300 . 1 . . . . A 565 LYS CE . 36431 1 1106 . 1 . 1 95 95 LYS N N 15 128.311 0.300 . 1 . . . . A 565 LYS N . 36431 1 1107 . 1 . 1 96 96 VAL H H 1 8.198 0.030 . 1 . . . . A 566 VAL H . 36431 1 1108 . 1 . 1 96 96 VAL HA H 1 4.403 0.030 . 1 . . . . A 566 VAL HA . 36431 1 1109 . 1 . 1 96 96 VAL HB H 1 1.958 0.030 . 1 . . . . A 566 VAL HB . 36431 1 1110 . 1 . 1 96 96 VAL HG11 H 1 0.852 0.030 . 2 . . . . A 566 VAL HG11 . 36431 1 1111 . 1 . 1 96 96 VAL HG12 H 1 0.852 0.030 . 2 . . . . A 566 VAL HG12 . 36431 1 1112 . 1 . 1 96 96 VAL HG13 H 1 0.852 0.030 . 2 . . . . A 566 VAL HG13 . 36431 1 1113 . 1 . 1 96 96 VAL HG21 H 1 0.692 0.030 . 2 . . . . A 566 VAL HG21 . 36431 1 1114 . 1 . 1 96 96 VAL HG22 H 1 0.692 0.030 . 2 . . . . A 566 VAL HG22 . 36431 1 1115 . 1 . 1 96 96 VAL HG23 H 1 0.692 0.030 . 2 . . . . A 566 VAL HG23 . 36431 1 1116 . 1 . 1 96 96 VAL C C 13 174.205 0.300 . 1 . . . . A 566 VAL C . 36431 1 1117 . 1 . 1 96 96 VAL CA C 13 61.613 0.300 . 1 . . . . A 566 VAL CA . 36431 1 1118 . 1 . 1 96 96 VAL CB C 13 33.151 0.300 . 1 . . . . A 566 VAL CB . 36431 1 1119 . 1 . 1 96 96 VAL CG1 C 13 21.199 0.300 . 2 . . . . A 566 VAL CG1 . 36431 1 1120 . 1 . 1 96 96 VAL CG2 C 13 21.837 0.300 . 2 . . . . A 566 VAL CG2 . 36431 1 1121 . 1 . 1 96 96 VAL N N 15 126.005 0.300 . 1 . . . . A 566 VAL N . 36431 1 1122 . 1 . 1 97 97 ASP H H 1 8.509 0.030 . 1 . . . . A 567 ASP H . 36431 1 1123 . 1 . 1 97 97 ASP HA H 1 5.070 0.030 . 1 . . . . A 567 ASP HA . 36431 1 1124 . 1 . 1 97 97 ASP HB2 H 1 2.421 0.030 . 2 . . . . A 567 ASP HB2 . 36431 1 1125 . 1 . 1 97 97 ASP HB3 H 1 2.678 0.030 . 2 . . . . A 567 ASP HB3 . 36431 1 1126 . 1 . 1 97 97 ASP C C 13 174.614 0.300 . 1 . . . . A 567 ASP C . 36431 1 1127 . 1 . 1 97 97 ASP CA C 13 52.499 0.300 . 1 . . . . A 567 ASP CA . 36431 1 1128 . 1 . 1 97 97 ASP CB C 13 45.403 0.300 . 1 . . . . A 567 ASP CB . 36431 1 1129 . 1 . 1 97 97 ASP N N 15 125.450 0.300 . 1 . . . . A 567 ASP N . 36431 1 1130 . 1 . 1 98 98 LEU H H 1 8.915 0.030 . 1 . . . . A 568 LEU H . 36431 1 1131 . 1 . 1 98 98 LEU HA H 1 4.687 0.030 . 1 . . . . A 568 LEU HA . 36431 1 1132 . 1 . 1 98 98 LEU HB2 H 1 1.448 0.030 . 2 . . . . A 568 LEU HB2 . 36431 1 1133 . 1 . 1 98 98 LEU HB3 H 1 1.717 0.030 . 2 . . . . A 568 LEU HB3 . 36431 1 1134 . 1 . 1 98 98 LEU HG H 1 1.557 0.030 . 1 . . . . A 568 LEU HG . 36431 1 1135 . 1 . 1 98 98 LEU HD11 H 1 0.773 0.030 . 2 . . . . A 568 LEU HD11 . 36431 1 1136 . 1 . 1 98 98 LEU HD12 H 1 0.773 0.030 . 2 . . . . A 568 LEU HD12 . 36431 1 1137 . 1 . 1 98 98 LEU HD13 H 1 0.773 0.030 . 2 . . . . A 568 LEU HD13 . 36431 1 1138 . 1 . 1 98 98 LEU HD21 H 1 0.782 0.030 . 2 . . . . A 568 LEU HD21 . 36431 1 1139 . 1 . 1 98 98 LEU HD22 H 1 0.782 0.030 . 2 . . . . A 568 LEU HD22 . 36431 1 1140 . 1 . 1 98 98 LEU HD23 H 1 0.782 0.030 . 2 . . . . A 568 LEU HD23 . 36431 1 1141 . 1 . 1 98 98 LEU C C 13 177.406 0.300 . 1 . . . . A 568 LEU C . 36431 1 1142 . 1 . 1 98 98 LEU CA C 13 54.388 0.300 . 1 . . . . A 568 LEU CA . 36431 1 1143 . 1 . 1 98 98 LEU CB C 13 42.516 0.300 . 1 . . . . A 568 LEU CB . 36431 1 1144 . 1 . 1 98 98 LEU CG C 13 27.633 0.300 . 1 . . . . A 568 LEU CG . 36431 1 1145 . 1 . 1 98 98 LEU CD1 C 13 25.004 0.300 . 2 . . . . A 568 LEU CD1 . 36431 1 1146 . 1 . 1 98 98 LEU CD2 C 13 24.468 0.300 . 2 . . . . A 568 LEU CD2 . 36431 1 1147 . 1 . 1 98 98 LEU N N 15 123.009 0.300 . 1 . . . . A 568 LEU N . 36431 1 1148 . 1 . 1 99 99 SER H H 1 8.981 0.030 . 1 . . . . A 569 SER H . 36431 1 1149 . 1 . 1 99 99 SER HA H 1 4.379 0.030 . 1 . . . . A 569 SER HA . 36431 1 1150 . 1 . 1 99 99 SER HB2 H 1 4.180 0.030 . 2 . . . . A 569 SER HB2 . 36431 1 1151 . 1 . 1 99 99 SER HB3 H 1 3.913 0.030 . 2 . . . . A 569 SER HB3 . 36431 1 1152 . 1 . 1 99 99 SER C C 13 175.736 0.300 . 1 . . . . A 569 SER C . 36431 1 1153 . 1 . 1 99 99 SER CA C 13 59.226 0.300 . 1 . . . . A 569 SER CA . 36431 1 1154 . 1 . 1 99 99 SER CB C 13 64.889 0.300 . 1 . . . . A 569 SER CB . 36431 1 1155 . 1 . 1 99 99 SER N N 15 118.999 0.300 . 1 . . . . A 569 SER N . 36431 1 1156 . 1 . 1 100 100 GLU H H 1 8.852 0.030 . 1 . . . . A 570 GLU H . 36431 1 1157 . 1 . 1 100 100 GLU HA H 1 4.329 0.030 . 1 . . . . A 570 GLU HA . 36431 1 1158 . 1 . 1 100 100 GLU HB2 H 1 2.070 0.030 . 2 . . . . A 570 GLU HB2 . 36431 1 1159 . 1 . 1 100 100 GLU HB3 H 1 1.911 0.030 . 2 . . . . A 570 GLU HB3 . 36431 1 1160 . 1 . 1 100 100 GLU HG2 H 1 2.321 0.030 . 2 . . . . A 570 GLU HG2 . 36431 1 1161 . 1 . 1 100 100 GLU HG3 H 1 2.218 0.030 . 2 . . . . A 570 GLU HG3 . 36431 1 1162 . 1 . 1 100 100 GLU C C 13 176.434 0.300 . 1 . . . . A 570 GLU C . 36431 1 1163 . 1 . 1 100 100 GLU CA C 13 56.801 0.300 . 1 . . . . A 570 GLU CA . 36431 1 1164 . 1 . 1 100 100 GLU CB C 13 30.258 0.300 . 1 . . . . A 570 GLU CB . 36431 1 1165 . 1 . 1 100 100 GLU CG C 13 36.243 0.300 . 1 . . . . A 570 GLU CG . 36431 1 1166 . 1 . 1 100 100 GLU N N 15 126.491 0.300 . 1 . . . . A 570 GLU N . 36431 1 1167 . 1 . 1 101 101 LYS H H 1 7.690 0.030 . 1 . . . . A 571 LYS H . 36431 1 1168 . 1 . 1 101 101 LYS HA H 1 3.891 0.030 . 1 . . . . A 571 LYS HA . 36431 1 1169 . 1 . 1 101 101 LYS HB2 H 1 1.020 0.030 . 2 . . . . A 571 LYS HB2 . 36431 1 1170 . 1 . 1 101 101 LYS HB3 H 1 1.369 0.030 . 2 . . . . A 571 LYS HB3 . 36431 1 1171 . 1 . 1 101 101 LYS HG2 H 1 0.854 0.030 . 2 . . . . A 571 LYS HG2 . 36431 1 1172 . 1 . 1 101 101 LYS HG3 H 1 0.489 0.030 . 2 . . . . A 571 LYS HG3 . 36431 1 1173 . 1 . 1 101 101 LYS HD2 H 1 1.366 0.030 . 2 . . . . A 571 LYS HD2 . 36431 1 1174 . 1 . 1 101 101 LYS HD3 H 1 1.259 0.030 . 2 . . . . A 571 LYS HD3 . 36431 1 1175 . 1 . 1 101 101 LYS HE2 H 1 2.758 0.030 . 2 . . . . A 571 LYS HE2 . 36431 1 1176 . 1 . 1 101 101 LYS HE3 H 1 2.703 0.030 . 2 . . . . A 571 LYS HE3 . 36431 1 1177 . 1 . 1 101 101 LYS C C 13 175.894 0.300 . 1 . . . . A 571 LYS C . 36431 1 1178 . 1 . 1 101 101 LYS CA C 13 57.533 0.300 . 1 . . . . A 571 LYS CA . 36431 1 1179 . 1 . 1 101 101 LYS CB C 13 33.844 0.300 . 1 . . . . A 571 LYS CB . 36431 1 1180 . 1 . 1 101 101 LYS CG C 13 24.483 0.300 . 1 . . . . A 571 LYS CG . 36431 1 1181 . 1 . 1 101 101 LYS CD C 13 28.949 0.300 . 1 . . . . A 571 LYS CD . 36431 1 1182 . 1 . 1 101 101 LYS CE C 13 42.014 0.300 . 1 . . . . A 571 LYS CE . 36431 1 1183 . 1 . 1 101 101 LYS N N 15 119.738 0.300 . 1 . . . . A 571 LYS N . 36431 1 1184 . 1 . 1 102 102 TYR H H 1 7.325 0.030 . 1 . . . . A 572 TYR H . 36431 1 1185 . 1 . 1 102 102 TYR HA H 1 4.670 0.030 . 1 . . . . A 572 TYR HA . 36431 1 1186 . 1 . 1 102 102 TYR HB2 H 1 2.712 0.030 . 2 . . . . A 572 TYR HB2 . 36431 1 1187 . 1 . 1 102 102 TYR HB3 H 1 2.312 0.030 . 2 . . . . A 572 TYR HB3 . 36431 1 1188 . 1 . 1 102 102 TYR HD1 H 1 6.642 0.030 . 1 . . . . A 572 TYR HD1 . 36431 1 1189 . 1 . 1 102 102 TYR HD2 H 1 6.642 0.030 . 1 . . . . A 572 TYR HD2 . 36431 1 1190 . 1 . 1 102 102 TYR HE1 H 1 6.167 0.030 . 1 . . . . A 572 TYR HE1 . 36431 1 1191 . 1 . 1 102 102 TYR HE2 H 1 6.167 0.030 . 1 . . . . A 572 TYR HE2 . 36431 1 1192 . 1 . 1 102 102 TYR C C 13 174.846 0.300 . 1 . . . . A 572 TYR C . 36431 1 1193 . 1 . 1 102 102 TYR CA C 13 55.698 0.300 . 1 . . . . A 572 TYR CA . 36431 1 1194 . 1 . 1 102 102 TYR CB C 13 39.761 0.300 . 1 . . . . A 572 TYR CB . 36431 1 1195 . 1 . 1 102 102 TYR CD1 C 13 132.998 0.300 . 1 . . . . A 572 TYR CD1 . 36431 1 1196 . 1 . 1 102 102 TYR CD2 C 13 132.998 0.300 . 1 . . . . A 572 TYR CD2 . 36431 1 1197 . 1 . 1 102 102 TYR CE1 C 13 117.512 0.300 . 1 . . . . A 572 TYR CE1 . 36431 1 1198 . 1 . 1 102 102 TYR CE2 C 13 117.512 0.300 . 1 . . . . A 572 TYR CE2 . 36431 1 1199 . 1 . 1 102 102 TYR N N 15 115.679 0.300 . 1 . . . . A 572 TYR N . 36431 1 1200 . 1 . 1 103 103 LYS HA H 1 4.300 0.030 . 1 . . . . A 573 LYS HA . 36431 1 1201 . 1 . 1 103 103 LYS HB2 H 1 1.742 0.030 . 1 . . . . A 573 LYS HB2 . 36431 1 1202 . 1 . 1 103 103 LYS HB3 H 1 1.742 0.030 . 1 . . . . A 573 LYS HB3 . 36431 1 1203 . 1 . 1 103 103 LYS HG2 H 1 1.310 0.030 . 1 . . . . A 573 LYS HG2 . 36431 1 1204 . 1 . 1 103 103 LYS HG3 H 1 1.310 0.030 . 1 . . . . A 573 LYS HG3 . 36431 1 1205 . 1 . 1 103 103 LYS HD2 H 1 1.518 0.030 . 1 . . . . A 573 LYS HD2 . 36431 1 1206 . 1 . 1 103 103 LYS HD3 H 1 1.518 0.030 . 1 . . . . A 573 LYS HD3 . 36431 1 1207 . 1 . 1 103 103 LYS HE2 H 1 2.968 0.030 . 1 . . . . A 573 LYS HE2 . 36431 1 1208 . 1 . 1 103 103 LYS HE3 H 1 2.968 0.030 . 1 . . . . A 573 LYS HE3 . 36431 1 1209 . 1 . 1 103 103 LYS C C 13 176.234 0.300 . 1 . . . . A 573 LYS C . 36431 1 1210 . 1 . 1 103 103 LYS CA C 13 57.610 0.300 . 1 . . . . A 573 LYS CA . 36431 1 1211 . 1 . 1 103 103 LYS CB C 13 32.901 0.300 . 1 . . . . A 573 LYS CB . 36431 1 1212 . 1 . 1 103 103 LYS CG C 13 25.494 0.300 . 1 . . . . A 573 LYS CG . 36431 1 1213 . 1 . 1 103 103 LYS CD C 13 28.883 0.300 . 1 . . . . A 573 LYS CD . 36431 1 1214 . 1 . 1 103 103 LYS CE C 13 42.442 0.300 . 1 . . . . A 573 LYS CE . 36431 1 1215 . 1 . 1 104 104 LYS H H 1 7.714 0.030 . 1 . . . . A 574 LYS H . 36431 1 1216 . 1 . 1 104 104 LYS HA H 1 3.962 0.030 . 1 . . . . A 574 LYS HA . 36431 1 1217 . 1 . 1 104 104 LYS HB2 H 1 1.769 0.030 . 2 . . . . A 574 LYS HB2 . 36431 1 1218 . 1 . 1 104 104 LYS HB3 H 1 1.699 0.030 . 2 . . . . A 574 LYS HB3 . 36431 1 1219 . 1 . 1 104 104 LYS HG2 H 1 1.229 0.030 . 2 . . . . A 574 LYS HG2 . 36431 1 1220 . 1 . 1 104 104 LYS HG3 H 1 1.092 0.030 . 2 . . . . A 574 LYS HG3 . 36431 1 1221 . 1 . 1 104 104 LYS HD2 H 1 1.568 0.030 . 1 . . . . A 574 LYS HD2 . 36431 1 1222 . 1 . 1 104 104 LYS HD3 H 1 1.568 0.030 . 1 . . . . A 574 LYS HD3 . 36431 1 1223 . 1 . 1 104 104 LYS HE2 H 1 2.869 0.030 . 1 . . . . A 574 LYS HE2 . 36431 1 1224 . 1 . 1 104 104 LYS HE3 H 1 2.869 0.030 . 1 . . . . A 574 LYS HE3 . 36431 1 1225 . 1 . 1 104 104 LYS C C 13 174.089 0.300 . 1 . . . . A 574 LYS C . 36431 1 1226 . 1 . 1 104 104 LYS CA C 13 54.784 0.300 . 1 . . . . A 574 LYS CA . 36431 1 1227 . 1 . 1 104 104 LYS CB C 13 34.712 0.300 . 1 . . . . A 574 LYS CB . 36431 1 1228 . 1 . 1 104 104 LYS CG C 13 23.570 0.300 . 1 . . . . A 574 LYS CG . 36431 1 1229 . 1 . 1 104 104 LYS CD C 13 29.489 0.300 . 1 . . . . A 574 LYS CD . 36431 1 1230 . 1 . 1 104 104 LYS CE C 13 42.031 0.300 . 1 . . . . A 574 LYS CE . 36431 1 1231 . 1 . 1 104 104 LYS N N 15 114.313 0.300 . 1 . . . . A 574 LYS N . 36431 1 1232 . 1 . 1 105 105 LEU H H 1 8.660 0.030 . 1 . . . . A 575 LEU H . 36431 1 1233 . 1 . 1 105 105 LEU HA H 1 4.379 0.030 . 1 . . . . A 575 LEU HA . 36431 1 1234 . 1 . 1 105 105 LEU HB2 H 1 1.170 0.030 . 2 . . . . A 575 LEU HB2 . 36431 1 1235 . 1 . 1 105 105 LEU HB3 H 1 1.590 0.030 . 2 . . . . A 575 LEU HB3 . 36431 1 1236 . 1 . 1 105 105 LEU HG H 1 1.380 0.030 . 1 . . . . A 575 LEU HG . 36431 1 1237 . 1 . 1 105 105 LEU HD11 H 1 0.591 0.030 . 2 . . . . A 575 LEU HD11 . 36431 1 1238 . 1 . 1 105 105 LEU HD12 H 1 0.591 0.030 . 2 . . . . A 575 LEU HD12 . 36431 1 1239 . 1 . 1 105 105 LEU HD13 H 1 0.591 0.030 . 2 . . . . A 575 LEU HD13 . 36431 1 1240 . 1 . 1 105 105 LEU HD21 H 1 0.243 0.030 . 2 . . . . A 575 LEU HD21 . 36431 1 1241 . 1 . 1 105 105 LEU HD22 H 1 0.243 0.030 . 2 . . . . A 575 LEU HD22 . 36431 1 1242 . 1 . 1 105 105 LEU HD23 H 1 0.243 0.030 . 2 . . . . A 575 LEU HD23 . 36431 1 1243 . 1 . 1 105 105 LEU C C 13 176.309 0.300 . 1 . . . . A 575 LEU C . 36431 1 1244 . 1 . 1 105 105 LEU CA C 13 54.065 0.300 . 1 . . . . A 575 LEU CA . 36431 1 1245 . 1 . 1 105 105 LEU CB C 13 41.975 0.300 . 1 . . . . A 575 LEU CB . 36431 1 1246 . 1 . 1 105 105 LEU CG C 13 26.669 0.300 . 1 . . . . A 575 LEU CG . 36431 1 1247 . 1 . 1 105 105 LEU CD1 C 13 25.740 0.300 . 2 . . . . A 575 LEU CD1 . 36431 1 1248 . 1 . 1 105 105 LEU CD2 C 13 22.018 0.300 . 2 . . . . A 575 LEU CD2 . 36431 1 1249 . 1 . 1 105 105 LEU N N 15 121.074 0.300 . 1 . . . . A 575 LEU N . 36431 1 1250 . 1 . 1 106 106 VAL H H 1 7.850 0.030 . 1 . . . . A 576 VAL H . 36431 1 1251 . 1 . 1 106 106 VAL HA H 1 4.088 0.030 . 1 . . . . A 576 VAL HA . 36431 1 1252 . 1 . 1 106 106 VAL HB H 1 1.970 0.030 . 1 . . . . A 576 VAL HB . 36431 1 1253 . 1 . 1 106 106 VAL HG11 H 1 0.819 0.030 . 2 . . . . A 576 VAL HG11 . 36431 1 1254 . 1 . 1 106 106 VAL HG12 H 1 0.819 0.030 . 2 . . . . A 576 VAL HG12 . 36431 1 1255 . 1 . 1 106 106 VAL HG13 H 1 0.819 0.030 . 2 . . . . A 576 VAL HG13 . 36431 1 1256 . 1 . 1 106 106 VAL HG21 H 1 0.849 0.030 . 2 . . . . A 576 VAL HG21 . 36431 1 1257 . 1 . 1 106 106 VAL HG22 H 1 0.849 0.030 . 2 . . . . A 576 VAL HG22 . 36431 1 1258 . 1 . 1 106 106 VAL HG23 H 1 0.849 0.030 . 2 . . . . A 576 VAL HG23 . 36431 1 1259 . 1 . 1 106 106 VAL C C 13 175.719 0.300 . 1 . . . . A 576 VAL C . 36431 1 1260 . 1 . 1 106 106 VAL CA C 13 61.809 0.300 . 1 . . . . A 576 VAL CA . 36431 1 1261 . 1 . 1 106 106 VAL CB C 13 33.112 0.300 . 1 . . . . A 576 VAL CB . 36431 1 1262 . 1 . 1 106 106 VAL CG1 C 13 20.369 0.300 . 2 . . . . A 576 VAL CG1 . 36431 1 1263 . 1 . 1 106 106 VAL CG2 C 13 21.182 0.300 . 2 . . . . A 576 VAL CG2 . 36431 1 1264 . 1 . 1 106 106 VAL N N 15 119.782 0.300 . 1 . . . . A 576 VAL N . 36431 1 1265 . 1 . 1 107 107 SER H H 1 8.338 0.030 . 1 . . . . A 577 SER H . 36431 1 1266 . 1 . 1 107 107 SER HA H 1 4.419 0.030 . 1 . . . . A 577 SER HA . 36431 1 1267 . 1 . 1 107 107 SER HB2 H 1 3.783 0.030 . 1 . . . . A 577 SER HB2 . 36431 1 1268 . 1 . 1 107 107 SER HB3 H 1 3.783 0.030 . 1 . . . . A 577 SER HB3 . 36431 1 1269 . 1 . 1 107 107 SER C C 13 174.355 0.300 . 1 . . . . A 577 SER C . 36431 1 1270 . 1 . 1 107 107 SER CA C 13 58.201 0.300 . 1 . . . . A 577 SER CA . 36431 1 1271 . 1 . 1 107 107 SER CB C 13 64.039 0.300 . 1 . . . . A 577 SER CB . 36431 1 1272 . 1 . 1 107 107 SER N N 15 119.976 0.300 . 1 . . . . A 577 SER N . 36431 1 1273 . 1 . 1 108 108 GLY H H 1 8.206 0.030 . 1 . . . . A 578 GLY H . 36431 1 1274 . 1 . 1 108 108 GLY HA2 H 1 4.109 0.030 . 2 . . . . A 578 GLY HA2 . 36431 1 1275 . 1 . 1 108 108 GLY HA3 H 1 4.047 0.030 . 2 . . . . A 578 GLY HA3 . 36431 1 1276 . 1 . 1 108 108 GLY C C 13 171.635 0.300 . 1 . . . . A 578 GLY C . 36431 1 1277 . 1 . 1 108 108 GLY CA C 13 44.639 0.300 . 1 . . . . A 578 GLY CA . 36431 1 1278 . 1 . 1 108 108 GLY N N 15 110.922 0.300 . 1 . . . . A 578 GLY N . 36431 1 stop_ save_