data_11563 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11563 _Entry.Title ; Refined solution structure of the first RNA recognition motif domain in CPEB3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-15 _Entry.Accession_date 2014-04-15 _Entry.Last_release_date 2016-07-13 _Entry.Original_release_date 2016-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Kengo Tsuda . . . . 11563 2 Kanako Kuwasako . . . . 11563 3 Takashi Nagata . . . . 11563 4 Mari Takahashi . . . . 11563 5 Takanori Kigawa . . . . 11563 6 Naohiro Kobayashi . . . . 11563 7 Peter Guntert . . . . 11563 8 Mikako Shirouzu . . . . 11563 9 Shigeyuki Yokoyama . . . . 11563 10 Yutaka Muto . . . . 11563 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 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative' . 11563 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RBD . 11563 'RRM domain' . 11563 'Solution structure' . 11563 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11563 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 11563 '15N chemical shifts' 103 11563 '1H chemical shifts' 745 11563 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 . . 2016-07-13 . original BMRB . 11563 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RUG 'BMRB Entry Tracking System' 11563 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11563 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 5066254 _Citation.Full_citation . _Citation.Title ; Novel RNA recognition motif domain in the cytoplasmic polyadenylation element binding protein 3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 82 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2879 _Citation.Page_last 2886 _Citation.Year 2014 _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 Kengo Tsuda . . . . 11563 1 2 Kanako Kuwasako . . . . 11563 1 3 Takashi Nagata . . . . 11563 1 4 Mari Takahashi . . . . 11563 1 5 Takanori Kigawa . . . . 11563 1 6 Naohiro Kobayashi . . . . 11563 1 7 Peter Guntert . . . . 11563 1 8 Mikako Shirouzu . . . . 11563 1 9 Shigeyuki Yokoyama . . . . 11563 1 10 Yutaka Muto . . . . 11563 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11563 _Assembly.ID 1 _Assembly.Name 'The first RNA recognition motif domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 The_first_RNA_recognition_motif_domain 1 $The_first_RNA_recognition_motif_domain A . yes native no no . . . 11563 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_The_first_RNA_recognition_motif_domain _Entity.Sf_category entity _Entity.Sf_framecode The_first_RNA_recognition_motif_domain _Entity.Entry_ID 11563 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name The_first_RNA_recognition_motif_domain _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 ; GSSGSSGSRKVFVGGLPPDI DEDEITASFRRFGPLVVDWP HKAESKSYFPPKGYAFLLFQ EESSVQALIDACLEEDGKLY LCVSSPTIKDKPVQIRPWNL SDSDFVMDSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RNA recognition motif' _Entity.Mutation 'The first 7 residues (GSSGSSG) and last 6 resdues (SGPSSG) are cloning artifacts' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12428.944 _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 . 11563 1 2 . SER . 11563 1 3 . SER . 11563 1 4 . GLY . 11563 1 5 . SER . 11563 1 6 438 SER . 11563 1 7 439 GLY . 11563 1 8 440 SER . 11563 1 9 441 ARG . 11563 1 10 442 LYS . 11563 1 11 443 VAL . 11563 1 12 444 PHE . 11563 1 13 445 VAL . 11563 1 14 446 GLY . 11563 1 15 447 GLY . 11563 1 16 448 LEU . 11563 1 17 449 PRO . 11563 1 18 450 PRO . 11563 1 19 451 ASP . 11563 1 20 452 ILE . 11563 1 21 453 ASP . 11563 1 22 454 GLU . 11563 1 23 455 ASP . 11563 1 24 456 GLU . 11563 1 25 457 ILE . 11563 1 26 458 THR . 11563 1 27 459 ALA . 11563 1 28 460 SER . 11563 1 29 461 PHE . 11563 1 30 462 ARG . 11563 1 31 463 ARG . 11563 1 32 464 PHE . 11563 1 33 465 GLY . 11563 1 34 466 PRO . 11563 1 35 467 LEU . 11563 1 36 468 VAL . 11563 1 37 469 VAL . 11563 1 38 470 ASP . 11563 1 39 471 TRP . 11563 1 40 472 PRO . 11563 1 41 473 HIS . 11563 1 42 474 LYS . 11563 1 43 475 ALA . 11563 1 44 476 GLU . 11563 1 45 477 SER . 11563 1 46 478 LYS . 11563 1 47 479 SER . 11563 1 48 480 TYR . 11563 1 49 481 PHE . 11563 1 50 482 PRO . 11563 1 51 483 PRO . 11563 1 52 484 LYS . 11563 1 53 485 GLY . 11563 1 54 486 TYR . 11563 1 55 487 ALA . 11563 1 56 488 PHE . 11563 1 57 489 LEU . 11563 1 58 490 LEU . 11563 1 59 491 PHE . 11563 1 60 492 GLN . 11563 1 61 493 GLU . 11563 1 62 494 GLU . 11563 1 63 495 SER . 11563 1 64 496 SER . 11563 1 65 497 VAL . 11563 1 66 498 GLN . 11563 1 67 499 ALA . 11563 1 68 500 LEU . 11563 1 69 501 ILE . 11563 1 70 502 ASP . 11563 1 71 503 ALA . 11563 1 72 504 CYS . 11563 1 73 505 LEU . 11563 1 74 506 GLU . 11563 1 75 507 GLU . 11563 1 76 508 ASP . 11563 1 77 509 GLY . 11563 1 78 510 LYS . 11563 1 79 511 LEU . 11563 1 80 512 TYR . 11563 1 81 513 LEU . 11563 1 82 514 CYS . 11563 1 83 515 VAL . 11563 1 84 516 SER . 11563 1 85 517 SER . 11563 1 86 518 PRO . 11563 1 87 519 THR . 11563 1 88 520 ILE . 11563 1 89 521 LYS . 11563 1 90 522 ASP . 11563 1 91 523 LYS . 11563 1 92 524 PRO . 11563 1 93 525 VAL . 11563 1 94 526 GLN . 11563 1 95 527 ILE . 11563 1 96 528 ARG . 11563 1 97 529 PRO . 11563 1 98 530 TRP . 11563 1 99 531 ASN . 11563 1 100 532 LEU . 11563 1 101 533 SER . 11563 1 102 534 ASP . 11563 1 103 535 SER . 11563 1 104 536 ASP . 11563 1 105 537 PHE . 11563 1 106 538 VAL . 11563 1 107 539 MET . 11563 1 108 540 ASP . 11563 1 109 541 SER . 11563 1 110 542 GLY . 11563 1 111 543 PRO . 11563 1 112 544 SER . 11563 1 113 545 SER . 11563 1 114 546 GLY . 11563 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 11563 1 . SER 2 2 11563 1 . SER 3 3 11563 1 . GLY 4 4 11563 1 . SER 5 5 11563 1 . SER 6 6 11563 1 . GLY 7 7 11563 1 . SER 8 8 11563 1 . ARG 9 9 11563 1 . LYS 10 10 11563 1 . VAL 11 11 11563 1 . PHE 12 12 11563 1 . VAL 13 13 11563 1 . GLY 14 14 11563 1 . GLY 15 15 11563 1 . LEU 16 16 11563 1 . PRO 17 17 11563 1 . PRO 18 18 11563 1 . ASP 19 19 11563 1 . ILE 20 20 11563 1 . ASP 21 21 11563 1 . GLU 22 22 11563 1 . ASP 23 23 11563 1 . GLU 24 24 11563 1 . ILE 25 25 11563 1 . THR 26 26 11563 1 . ALA 27 27 11563 1 . SER 28 28 11563 1 . PHE 29 29 11563 1 . ARG 30 30 11563 1 . ARG 31 31 11563 1 . PHE 32 32 11563 1 . GLY 33 33 11563 1 . PRO 34 34 11563 1 . LEU 35 35 11563 1 . VAL 36 36 11563 1 . VAL 37 37 11563 1 . ASP 38 38 11563 1 . TRP 39 39 11563 1 . PRO 40 40 11563 1 . HIS 41 41 11563 1 . LYS 42 42 11563 1 . ALA 43 43 11563 1 . GLU 44 44 11563 1 . SER 45 45 11563 1 . LYS 46 46 11563 1 . SER 47 47 11563 1 . TYR 48 48 11563 1 . PHE 49 49 11563 1 . PRO 50 50 11563 1 . PRO 51 51 11563 1 . LYS 52 52 11563 1 . GLY 53 53 11563 1 . TYR 54 54 11563 1 . ALA 55 55 11563 1 . PHE 56 56 11563 1 . LEU 57 57 11563 1 . LEU 58 58 11563 1 . PHE 59 59 11563 1 . GLN 60 60 11563 1 . GLU 61 61 11563 1 . GLU 62 62 11563 1 . SER 63 63 11563 1 . SER 64 64 11563 1 . VAL 65 65 11563 1 . GLN 66 66 11563 1 . ALA 67 67 11563 1 . LEU 68 68 11563 1 . ILE 69 69 11563 1 . ASP 70 70 11563 1 . ALA 71 71 11563 1 . CYS 72 72 11563 1 . LEU 73 73 11563 1 . GLU 74 74 11563 1 . GLU 75 75 11563 1 . ASP 76 76 11563 1 . GLY 77 77 11563 1 . LYS 78 78 11563 1 . LEU 79 79 11563 1 . TYR 80 80 11563 1 . LEU 81 81 11563 1 . CYS 82 82 11563 1 . VAL 83 83 11563 1 . SER 84 84 11563 1 . SER 85 85 11563 1 . PRO 86 86 11563 1 . THR 87 87 11563 1 . ILE 88 88 11563 1 . LYS 89 89 11563 1 . ASP 90 90 11563 1 . LYS 91 91 11563 1 . PRO 92 92 11563 1 . VAL 93 93 11563 1 . GLN 94 94 11563 1 . ILE 95 95 11563 1 . ARG 96 96 11563 1 . PRO 97 97 11563 1 . TRP 98 98 11563 1 . ASN 99 99 11563 1 . LEU 100 100 11563 1 . SER 101 101 11563 1 . ASP 102 102 11563 1 . SER 103 103 11563 1 . ASP 104 104 11563 1 . PHE 105 105 11563 1 . VAL 106 106 11563 1 . MET 107 107 11563 1 . ASP 108 108 11563 1 . SER 109 109 11563 1 . GLY 110 110 11563 1 . PRO 111 111 11563 1 . SER 112 112 11563 1 . SER 113 113 11563 1 . GLY 114 114 11563 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 11563 _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 $The_first_RNA_recognition_motif_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CPEB3 . 11563 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 11563 _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 $The_first_RNA_recognition_motif_domain . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . pCR2.1 . . . 11563 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11563 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 The_first_RNA_recognition_motif_domain '[U-100% 13C; U-100% 15N]' . . 1 $The_first_RNA_recognition_motif_domain . protein 1.06 . . mM . . . . 11563 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11563 1 3 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11563 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 11563 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 11563 1 pH 7.0 . pH 11563 1 pressure 1 . atm 11563 1 temperature 298 . K 11563 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11563 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11563 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11563 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11563 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11563 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11563 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11563 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11563 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11563 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11563 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9843 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N' . . 11563 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11563 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11563 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11563 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11563 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11563 _Software.ID 6 _Software.Name AMBER _Software.Version 9 _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' . . 11563 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11563 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11563 _NMR_spectrometer.ID 1 _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 11563 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11563 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 11563 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11563 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11563 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11563 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11563 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11563 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251441953 . . . . . 11563 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 11563 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 11563 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11563 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 1H-15N NOESY' 1 $sample_1 isotropic 11563 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11563 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.449 0.030 . 1 . . . A 438 SER HA . 11563 1 2 . 1 1 6 6 SER HB2 H 1 3.911 0.030 . 2 . . . A 438 SER HB2 . 11563 1 3 . 1 1 6 6 SER C C 13 175.165 0.300 . 1 . . . A 438 SER C . 11563 1 4 . 1 1 6 6 SER CA C 13 58.952 0.300 . 1 . . . A 438 SER CA . 11563 1 5 . 1 1 6 6 SER CB C 13 63.774 0.300 . 1 . . . A 438 SER CB . 11563 1 6 . 1 1 7 7 GLY H H 1 8.469 0.030 . 1 . . . A 439 GLY H . 11563 1 7 . 1 1 7 7 GLY C C 13 174.120 0.300 . 1 . . . A 439 GLY C . 11563 1 8 . 1 1 7 7 GLY CA C 13 45.655 0.300 . 1 . . . A 439 GLY CA . 11563 1 9 . 1 1 7 7 GLY N N 15 110.807 0.300 . 1 . . . A 439 GLY N . 11563 1 10 . 1 1 8 8 SER H H 1 8.135 0.030 . 1 . . . A 440 SER H . 11563 1 11 . 1 1 8 8 SER HA H 1 4.527 0.030 . 1 . . . A 440 SER HA . 11563 1 12 . 1 1 8 8 SER HB2 H 1 3.952 0.030 . 2 . . . A 440 SER HB2 . 11563 1 13 . 1 1 8 8 SER HB3 H 1 3.891 0.030 . 2 . . . A 440 SER HB3 . 11563 1 14 . 1 1 8 8 SER C C 13 174.654 0.300 . 1 . . . A 440 SER C . 11563 1 15 . 1 1 8 8 SER CA C 13 58.620 0.300 . 1 . . . A 440 SER CA . 11563 1 16 . 1 1 8 8 SER CB C 13 63.997 0.300 . 1 . . . A 440 SER CB . 11563 1 17 . 1 1 8 8 SER N N 15 114.857 0.300 . 1 . . . A 440 SER N . 11563 1 18 . 1 1 9 9 ARG H H 1 8.390 0.030 . 1 . . . A 441 ARG H . 11563 1 19 . 1 1 9 9 ARG HA H 1 4.476 0.030 . 1 . . . A 441 ARG HA . 11563 1 20 . 1 1 9 9 ARG HB2 H 1 2.396 0.030 . 2 . . . A 441 ARG HB2 . 11563 1 21 . 1 1 9 9 ARG HB3 H 1 1.715 0.030 . 2 . . . A 441 ARG HB3 . 11563 1 22 . 1 1 9 9 ARG HG2 H 1 1.284 0.030 . 2 . . . A 441 ARG HG2 . 11563 1 23 . 1 1 9 9 ARG HG3 H 1 1.686 0.030 . 2 . . . A 441 ARG HG3 . 11563 1 24 . 1 1 9 9 ARG HD2 H 1 3.185 0.030 . 2 . . . A 441 ARG HD2 . 11563 1 25 . 1 1 9 9 ARG HD3 H 1 3.135 0.030 . 2 . . . A 441 ARG HD3 . 11563 1 26 . 1 1 9 9 ARG C C 13 173.827 0.300 . 1 . . . A 441 ARG C . 11563 1 27 . 1 1 9 9 ARG CA C 13 56.361 0.300 . 1 . . . A 441 ARG CA . 11563 1 28 . 1 1 9 9 ARG CB C 13 30.931 0.300 . 1 . . . A 441 ARG CB . 11563 1 29 . 1 1 9 9 ARG CG C 13 28.594 0.300 . 1 . . . A 441 ARG CG . 11563 1 30 . 1 1 9 9 ARG CD C 13 43.558 0.300 . 1 . . . A 441 ARG CD . 11563 1 31 . 1 1 9 9 ARG N N 15 121.404 0.300 . 1 . . . A 441 ARG N . 11563 1 32 . 1 1 10 10 LYS H H 1 8.044 0.030 . 1 . . . A 442 LYS H . 11563 1 33 . 1 1 10 10 LYS HA H 1 5.490 0.030 . 1 . . . A 442 LYS HA . 11563 1 34 . 1 1 10 10 LYS HB2 H 1 1.771 0.030 . 2 . . . A 442 LYS HB2 . 11563 1 35 . 1 1 10 10 LYS HB3 H 1 1.600 0.030 . 2 . . . A 442 LYS HB3 . 11563 1 36 . 1 1 10 10 LYS HG2 H 1 1.232 0.030 . 2 . . . A 442 LYS HG2 . 11563 1 37 . 1 1 10 10 LYS HG3 H 1 1.099 0.030 . 2 . . . A 442 LYS HG3 . 11563 1 38 . 1 1 10 10 LYS HD2 H 1 1.126 0.030 . 2 . . . A 442 LYS HD2 . 11563 1 39 . 1 1 10 10 LYS HD3 H 1 1.067 0.030 . 2 . . . A 442 LYS HD3 . 11563 1 40 . 1 1 10 10 LYS HE2 H 1 2.103 0.030 . 2 . . . A 442 LYS HE2 . 11563 1 41 . 1 1 10 10 LYS HE3 H 1 1.931 0.030 . 2 . . . A 442 LYS HE3 . 11563 1 42 . 1 1 10 10 LYS C C 13 175.838 0.300 . 1 . . . A 442 LYS C . 11563 1 43 . 1 1 10 10 LYS CA C 13 55.246 0.300 . 1 . . . A 442 LYS CA . 11563 1 44 . 1 1 10 10 LYS CB C 13 35.720 0.300 . 1 . . . A 442 LYS CB . 11563 1 45 . 1 1 10 10 LYS CG C 13 25.559 0.300 . 1 . . . A 442 LYS CG . 11563 1 46 . 1 1 10 10 LYS CD C 13 29.964 0.300 . 1 . . . A 442 LYS CD . 11563 1 47 . 1 1 10 10 LYS CE C 13 41.345 0.300 . 1 . . . A 442 LYS CE . 11563 1 48 . 1 1 10 10 LYS N N 15 121.141 0.300 . 1 . . . A 442 LYS N . 11563 1 49 . 1 1 11 11 VAL H H 1 9.212 0.030 . 1 . . . A 443 VAL H . 11563 1 50 . 1 1 11 11 VAL HA H 1 4.623 0.030 . 1 . . . A 443 VAL HA . 11563 1 51 . 1 1 11 11 VAL HB H 1 2.007 0.030 . 1 . . . A 443 VAL HB . 11563 1 52 . 1 1 11 11 VAL HG11 H 1 1.023 0.030 . 1 . . . A 443 VAL HG11 . 11563 1 53 . 1 1 11 11 VAL HG12 H 1 1.023 0.030 . 1 . . . A 443 VAL HG12 . 11563 1 54 . 1 1 11 11 VAL HG13 H 1 1.023 0.030 . 1 . . . A 443 VAL HG13 . 11563 1 55 . 1 1 11 11 VAL HG21 H 1 0.880 0.030 . 1 . . . A 443 VAL HG21 . 11563 1 56 . 1 1 11 11 VAL HG22 H 1 0.880 0.030 . 1 . . . A 443 VAL HG22 . 11563 1 57 . 1 1 11 11 VAL HG23 H 1 0.880 0.030 . 1 . . . A 443 VAL HG23 . 11563 1 58 . 1 1 11 11 VAL C C 13 174.279 0.300 . 1 . . . A 443 VAL C . 11563 1 59 . 1 1 11 11 VAL CA C 13 61.121 0.300 . 1 . . . A 443 VAL CA . 11563 1 60 . 1 1 11 11 VAL CB C 13 36.467 0.300 . 1 . . . A 443 VAL CB . 11563 1 61 . 1 1 11 11 VAL CG1 C 13 22.730 0.300 . 2 . . . A 443 VAL CG1 . 11563 1 62 . 1 1 11 11 VAL CG2 C 13 22.488 0.300 . 2 . . . A 443 VAL CG2 . 11563 1 63 . 1 1 11 11 VAL N N 15 123.226 0.300 . 1 . . . A 443 VAL N . 11563 1 64 . 1 1 12 12 PHE H H 1 8.954 0.030 . 1 . . . A 444 PHE H . 11563 1 65 . 1 1 12 12 PHE HA H 1 4.695 0.030 . 1 . . . A 444 PHE HA . 11563 1 66 . 1 1 12 12 PHE HB2 H 1 3.323 0.030 . 2 . . . A 444 PHE HB2 . 11563 1 67 . 1 1 12 12 PHE HB3 H 1 2.909 0.030 . 2 . . . A 444 PHE HB3 . 11563 1 68 . 1 1 12 12 PHE HD1 H 1 6.699 0.030 . 1 . . . A 444 PHE HD1 . 11563 1 69 . 1 1 12 12 PHE HD2 H 1 6.699 0.030 . 1 . . . A 444 PHE HD2 . 11563 1 70 . 1 1 12 12 PHE HE1 H 1 6.743 0.030 . 1 . . . A 444 PHE HE1 . 11563 1 71 . 1 1 12 12 PHE HE2 H 1 6.743 0.030 . 1 . . . A 444 PHE HE2 . 11563 1 72 . 1 1 12 12 PHE HZ H 1 6.905 0.030 . 1 . . . A 444 PHE HZ . 11563 1 73 . 1 1 12 12 PHE C C 13 173.097 0.300 . 1 . . . A 444 PHE C . 11563 1 74 . 1 1 12 12 PHE CA C 13 57.621 0.300 . 1 . . . A 444 PHE CA . 11563 1 75 . 1 1 12 12 PHE CB C 13 40.881 0.300 . 1 . . . A 444 PHE CB . 11563 1 76 . 1 1 12 12 PHE CD1 C 13 131.419 0.300 . 1 . . . A 444 PHE CD1 . 11563 1 77 . 1 1 12 12 PHE CD2 C 13 131.419 0.300 . 1 . . . A 444 PHE CD2 . 11563 1 78 . 1 1 12 12 PHE CE1 C 13 131.030 0.300 . 1 . . . A 444 PHE CE1 . 11563 1 79 . 1 1 12 12 PHE CE2 C 13 131.030 0.300 . 1 . . . A 444 PHE CE2 . 11563 1 80 . 1 1 12 12 PHE CZ C 13 129.642 0.300 . 1 . . . A 444 PHE CZ . 11563 1 81 . 1 1 12 12 PHE N N 15 128.661 0.300 . 1 . . . A 444 PHE N . 11563 1 82 . 1 1 13 13 VAL H H 1 8.238 0.030 . 1 . . . A 445 VAL H . 11563 1 83 . 1 1 13 13 VAL HA H 1 5.171 0.030 . 1 . . . A 445 VAL HA . 11563 1 84 . 1 1 13 13 VAL HB H 1 1.596 0.030 . 1 . . . A 445 VAL HB . 11563 1 85 . 1 1 13 13 VAL HG11 H 1 0.715 0.030 . 1 . . . A 445 VAL HG11 . 11563 1 86 . 1 1 13 13 VAL HG12 H 1 0.715 0.030 . 1 . . . A 445 VAL HG12 . 11563 1 87 . 1 1 13 13 VAL HG13 H 1 0.715 0.030 . 1 . . . A 445 VAL HG13 . 11563 1 88 . 1 1 13 13 VAL HG21 H 1 0.622 0.030 . 1 . . . A 445 VAL HG21 . 11563 1 89 . 1 1 13 13 VAL HG22 H 1 0.622 0.030 . 1 . . . A 445 VAL HG22 . 11563 1 90 . 1 1 13 13 VAL HG23 H 1 0.622 0.030 . 1 . . . A 445 VAL HG23 . 11563 1 91 . 1 1 13 13 VAL C C 13 173.362 0.300 . 1 . . . A 445 VAL C . 11563 1 92 . 1 1 13 13 VAL CA C 13 59.003 0.300 . 1 . . . A 445 VAL CA . 11563 1 93 . 1 1 13 13 VAL CB C 13 33.785 0.300 . 1 . . . A 445 VAL CB . 11563 1 94 . 1 1 13 13 VAL CG1 C 13 21.416 0.300 . 2 . . . A 445 VAL CG1 . 11563 1 95 . 1 1 13 13 VAL CG2 C 13 21.351 0.300 . 2 . . . A 445 VAL CG2 . 11563 1 96 . 1 1 13 13 VAL N N 15 126.136 0.300 . 1 . . . A 445 VAL N . 11563 1 97 . 1 1 14 14 GLY H H 1 8.855 0.030 . 1 . . . A 446 GLY H . 11563 1 98 . 1 1 14 14 GLY HA2 H 1 4.737 0.030 . 2 . . . A 446 GLY HA2 . 11563 1 99 . 1 1 14 14 GLY HA3 H 1 3.712 0.030 . 2 . . . A 446 GLY HA3 . 11563 1 100 . 1 1 14 14 GLY C C 13 173.435 0.300 . 1 . . . A 446 GLY C . 11563 1 101 . 1 1 14 14 GLY CA C 13 43.774 0.300 . 1 . . . A 446 GLY CA . 11563 1 102 . 1 1 14 14 GLY N N 15 110.315 0.300 . 1 . . . A 446 GLY N . 11563 1 103 . 1 1 15 15 GLY H H 1 8.034 0.030 . 1 . . . A 447 GLY H . 11563 1 104 . 1 1 15 15 GLY HA2 H 1 4.360 0.030 . 2 . . . A 447 GLY HA2 . 11563 1 105 . 1 1 15 15 GLY HA3 H 1 3.846 0.030 . 2 . . . A 447 GLY HA3 . 11563 1 106 . 1 1 15 15 GLY C C 13 176.150 0.300 . 1 . . . A 447 GLY C . 11563 1 107 . 1 1 15 15 GLY CA C 13 45.871 0.300 . 1 . . . A 447 GLY CA . 11563 1 108 . 1 1 15 15 GLY N N 15 108.851 0.300 . 1 . . . A 447 GLY N . 11563 1 109 . 1 1 16 16 LEU H H 1 8.561 0.030 . 1 . . . A 448 LEU H . 11563 1 110 . 1 1 16 16 LEU HA H 1 4.053 0.030 . 1 . . . A 448 LEU HA . 11563 1 111 . 1 1 16 16 LEU HB2 H 1 1.265 0.030 . 1 . . . A 448 LEU HB2 . 11563 1 112 . 1 1 16 16 LEU HB3 H 1 1.265 0.030 . 1 . . . A 448 LEU HB3 . 11563 1 113 . 1 1 16 16 LEU HG H 1 1.441 0.030 . 1 . . . A 448 LEU HG . 11563 1 114 . 1 1 16 16 LEU HD11 H 1 0.492 0.030 . 1 . . . A 448 LEU HD11 . 11563 1 115 . 1 1 16 16 LEU HD12 H 1 0.492 0.030 . 1 . . . A 448 LEU HD12 . 11563 1 116 . 1 1 16 16 LEU HD13 H 1 0.492 0.030 . 1 . . . A 448 LEU HD13 . 11563 1 117 . 1 1 16 16 LEU HD21 H 1 0.858 0.030 . 1 . . . A 448 LEU HD21 . 11563 1 118 . 1 1 16 16 LEU HD22 H 1 0.858 0.030 . 1 . . . A 448 LEU HD22 . 11563 1 119 . 1 1 16 16 LEU HD23 H 1 0.858 0.030 . 1 . . . A 448 LEU HD23 . 11563 1 120 . 1 1 16 16 LEU C C 13 174.754 0.300 . 1 . . . A 448 LEU C . 11563 1 121 . 1 1 16 16 LEU CA C 13 53.558 0.300 . 1 . . . A 448 LEU CA . 11563 1 122 . 1 1 16 16 LEU CB C 13 41.100 0.300 . 1 . . . A 448 LEU CB . 11563 1 123 . 1 1 16 16 LEU CG C 13 26.870 0.300 . 1 . . . A 448 LEU CG . 11563 1 124 . 1 1 16 16 LEU CD1 C 13 26.493 0.300 . 2 . . . A 448 LEU CD1 . 11563 1 125 . 1 1 16 16 LEU CD2 C 13 23.737 0.300 . 2 . . . A 448 LEU CD2 . 11563 1 126 . 1 1 16 16 LEU N N 15 119.433 0.300 . 1 . . . A 448 LEU N . 11563 1 127 . 1 1 17 17 PRO HA H 1 4.620 0.030 . 1 . . . A 449 PRO HA . 11563 1 128 . 1 1 17 17 PRO HB2 H 1 1.868 0.030 . 2 . . . A 449 PRO HB2 . 11563 1 129 . 1 1 17 17 PRO HB3 H 1 2.402 0.030 . 2 . . . A 449 PRO HB3 . 11563 1 130 . 1 1 17 17 PRO HG2 H 1 1.889 0.030 . 1 . . . A 449 PRO HG2 . 11563 1 131 . 1 1 17 17 PRO HG3 H 1 1.889 0.030 . 1 . . . A 449 PRO HG3 . 11563 1 132 . 1 1 17 17 PRO HD2 H 1 3.592 0.030 . 2 . . . A 449 PRO HD2 . 11563 1 133 . 1 1 17 17 PRO HD3 H 1 3.316 0.030 . 2 . . . A 449 PRO HD3 . 11563 1 134 . 1 1 17 17 PRO CA C 13 61.005 0.300 . 1 . . . A 449 PRO CA . 11563 1 135 . 1 1 17 17 PRO CB C 13 31.389 0.300 . 1 . . . A 449 PRO CB . 11563 1 136 . 1 1 17 17 PRO CG C 13 27.792 0.300 . 1 . . . A 449 PRO CG . 11563 1 137 . 1 1 17 17 PRO CD C 13 49.744 0.300 . 1 . . . A 449 PRO CD . 11563 1 138 . 1 1 18 18 PRO HA H 1 4.347 0.030 . 1 . . . A 450 PRO HA . 11563 1 139 . 1 1 18 18 PRO HB2 H 1 1.830 0.030 . 2 . . . A 450 PRO HB2 . 11563 1 140 . 1 1 18 18 PRO HB3 H 1 2.196 0.030 . 2 . . . A 450 PRO HB3 . 11563 1 141 . 1 1 18 18 PRO HG2 H 1 1.994 0.030 . 2 . . . A 450 PRO HG2 . 11563 1 142 . 1 1 18 18 PRO HG3 H 1 1.825 0.030 . 2 . . . A 450 PRO HG3 . 11563 1 143 . 1 1 18 18 PRO HD2 H 1 3.701 0.030 . 2 . . . A 450 PRO HD2 . 11563 1 144 . 1 1 18 18 PRO HD3 H 1 3.546 0.030 . 2 . . . A 450 PRO HD3 . 11563 1 145 . 1 1 18 18 PRO C C 13 175.844 0.300 . 1 . . . A 450 PRO C . 11563 1 146 . 1 1 18 18 PRO CA C 13 63.986 0.300 . 1 . . . A 450 PRO CA . 11563 1 147 . 1 1 18 18 PRO CB C 13 31.862 0.300 . 1 . . . A 450 PRO CB . 11563 1 148 . 1 1 18 18 PRO CG C 13 27.148 0.300 . 1 . . . A 450 PRO CG . 11563 1 149 . 1 1 18 18 PRO CD C 13 50.519 0.300 . 1 . . . A 450 PRO CD . 11563 1 150 . 1 1 19 19 ASP H H 1 8.352 0.030 . 1 . . . A 451 ASP H . 11563 1 151 . 1 1 19 19 ASP HA H 1 4.071 0.030 . 1 . . . A 451 ASP HA . 11563 1 152 . 1 1 19 19 ASP HB2 H 1 2.849 0.030 . 2 . . . A 451 ASP HB2 . 11563 1 153 . 1 1 19 19 ASP HB3 H 1 2.217 0.030 . 2 . . . A 451 ASP HB3 . 11563 1 154 . 1 1 19 19 ASP C C 13 174.767 0.300 . 1 . . . A 451 ASP C . 11563 1 155 . 1 1 19 19 ASP CA C 13 52.204 0.300 . 1 . . . A 451 ASP CA . 11563 1 156 . 1 1 19 19 ASP CB C 13 39.033 0.300 . 1 . . . A 451 ASP CB . 11563 1 157 . 1 1 19 19 ASP N N 15 114.459 0.300 . 1 . . . A 451 ASP N . 11563 1 158 . 1 1 20 20 ILE H H 1 7.002 0.030 . 1 . . . A 452 ILE H . 11563 1 159 . 1 1 20 20 ILE HA H 1 4.692 0.030 . 1 . . . A 452 ILE HA . 11563 1 160 . 1 1 20 20 ILE HB H 1 1.433 0.030 . 1 . . . A 452 ILE HB . 11563 1 161 . 1 1 20 20 ILE HG12 H 1 1.686 0.030 . 2 . . . A 452 ILE HG12 . 11563 1 162 . 1 1 20 20 ILE HG13 H 1 1.493 0.030 . 2 . . . A 452 ILE HG13 . 11563 1 163 . 1 1 20 20 ILE HG21 H 1 0.960 0.030 . 1 . . . A 452 ILE HG21 . 11563 1 164 . 1 1 20 20 ILE HG22 H 1 0.960 0.030 . 1 . . . A 452 ILE HG22 . 11563 1 165 . 1 1 20 20 ILE HG23 H 1 0.960 0.030 . 1 . . . A 452 ILE HG23 . 11563 1 166 . 1 1 20 20 ILE HD11 H 1 0.705 0.030 . 1 . . . A 452 ILE HD11 . 11563 1 167 . 1 1 20 20 ILE HD12 H 1 0.705 0.030 . 1 . . . A 452 ILE HD12 . 11563 1 168 . 1 1 20 20 ILE HD13 H 1 0.705 0.030 . 1 . . . A 452 ILE HD13 . 11563 1 169 . 1 1 20 20 ILE C C 13 171.978 0.300 . 1 . . . A 452 ILE C . 11563 1 170 . 1 1 20 20 ILE CA C 13 60.171 0.300 . 1 . . . A 452 ILE CA . 11563 1 171 . 1 1 20 20 ILE CB C 13 41.237 0.300 . 1 . . . A 452 ILE CB . 11563 1 172 . 1 1 20 20 ILE CG1 C 13 29.987 0.300 . 1 . . . A 452 ILE CG1 . 11563 1 173 . 1 1 20 20 ILE CG2 C 13 16.598 0.300 . 1 . . . A 452 ILE CG2 . 11563 1 174 . 1 1 20 20 ILE CD1 C 13 14.136 0.300 . 1 . . . A 452 ILE CD1 . 11563 1 175 . 1 1 20 20 ILE N N 15 118.391 0.300 . 1 . . . A 452 ILE N . 11563 1 176 . 1 1 21 21 ASP H H 1 8.208 0.030 . 1 . . . A 453 ASP H . 11563 1 177 . 1 1 21 21 ASP HA H 1 4.929 0.030 . 1 . . . A 453 ASP HA . 11563 1 178 . 1 1 21 21 ASP HB2 H 1 2.825 0.030 . 2 . . . A 453 ASP HB2 . 11563 1 179 . 1 1 21 21 ASP HB3 H 1 2.323 0.030 . 2 . . . A 453 ASP HB3 . 11563 1 180 . 1 1 21 21 ASP C C 13 176.510 0.300 . 1 . . . A 453 ASP C . 11563 1 181 . 1 1 21 21 ASP CA C 13 51.611 0.300 . 1 . . . A 453 ASP CA . 11563 1 182 . 1 1 21 21 ASP CB C 13 42.635 0.300 . 1 . . . A 453 ASP CB . 11563 1 183 . 1 1 21 21 ASP N N 15 125.333 0.300 . 1 . . . A 453 ASP N . 11563 1 184 . 1 1 22 22 GLU H H 1 8.681 0.030 . 1 . . . A 454 GLU H . 11563 1 185 . 1 1 22 22 GLU HA H 1 3.910 0.030 . 1 . . . A 454 GLU HA . 11563 1 186 . 1 1 22 22 GLU HB2 H 1 2.312 0.030 . 2 . . . A 454 GLU HB2 . 11563 1 187 . 1 1 22 22 GLU HB3 H 1 2.206 0.030 . 2 . . . A 454 GLU HB3 . 11563 1 188 . 1 1 22 22 GLU HG2 H 1 2.282 0.030 . 2 . . . A 454 GLU HG2 . 11563 1 189 . 1 1 22 22 GLU HG3 H 1 2.128 0.030 . 2 . . . A 454 GLU HG3 . 11563 1 190 . 1 1 22 22 GLU C C 13 178.697 0.300 . 1 . . . A 454 GLU C . 11563 1 191 . 1 1 22 22 GLU CA C 13 60.736 0.300 . 1 . . . A 454 GLU CA . 11563 1 192 . 1 1 22 22 GLU CB C 13 30.385 0.300 . 1 . . . A 454 GLU CB . 11563 1 193 . 1 1 22 22 GLU CG C 13 35.500 0.300 . 1 . . . A 454 GLU CG . 11563 1 194 . 1 1 22 22 GLU N N 15 117.809 0.300 . 1 . . . A 454 GLU N . 11563 1 195 . 1 1 23 23 ASP H H 1 8.627 0.030 . 1 . . . A 455 ASP H . 11563 1 196 . 1 1 23 23 ASP HA H 1 4.472 0.030 . 1 . . . A 455 ASP HA . 11563 1 197 . 1 1 23 23 ASP HB2 H 1 2.876 0.030 . 2 . . . A 455 ASP HB2 . 11563 1 198 . 1 1 23 23 ASP HB3 H 1 2.674 0.030 . 2 . . . A 455 ASP HB3 . 11563 1 199 . 1 1 23 23 ASP C C 13 178.997 0.300 . 1 . . . A 455 ASP C . 11563 1 200 . 1 1 23 23 ASP CA C 13 57.854 0.300 . 1 . . . A 455 ASP CA . 11563 1 201 . 1 1 23 23 ASP CB C 13 40.010 0.300 . 1 . . . A 455 ASP CB . 11563 1 202 . 1 1 23 23 ASP N N 15 122.254 0.300 . 1 . . . A 455 ASP N . 11563 1 203 . 1 1 24 24 GLU H H 1 8.653 0.030 . 1 . . . A 456 GLU H . 11563 1 204 . 1 1 24 24 GLU HA H 1 4.299 0.030 . 1 . . . A 456 GLU HA . 11563 1 205 . 1 1 24 24 GLU HB2 H 1 2.324 0.030 . 2 . . . A 456 GLU HB2 . 11563 1 206 . 1 1 24 24 GLU HB3 H 1 2.099 0.030 . 2 . . . A 456 GLU HB3 . 11563 1 207 . 1 1 24 24 GLU HG2 H 1 2.473 0.030 . 2 . . . A 456 GLU HG2 . 11563 1 208 . 1 1 24 24 GLU HG3 H 1 2.428 0.030 . 2 . . . A 456 GLU HG3 . 11563 1 209 . 1 1 24 24 GLU C C 13 180.716 0.300 . 1 . . . A 456 GLU C . 11563 1 210 . 1 1 24 24 GLU CA C 13 58.930 0.300 . 1 . . . A 456 GLU CA . 11563 1 211 . 1 1 24 24 GLU CB C 13 29.737 0.300 . 1 . . . A 456 GLU CB . 11563 1 212 . 1 1 24 24 GLU CG C 13 36.464 0.300 . 1 . . . A 456 GLU CG . 11563 1 213 . 1 1 24 24 GLU N N 15 123.367 0.300 . 1 . . . A 456 GLU N . 11563 1 214 . 1 1 25 25 ILE H H 1 9.028 0.030 . 1 . . . A 457 ILE H . 11563 1 215 . 1 1 25 25 ILE HA H 1 3.626 0.030 . 1 . . . A 457 ILE HA . 11563 1 216 . 1 1 25 25 ILE HB H 1 1.980 0.030 . 1 . . . A 457 ILE HB . 11563 1 217 . 1 1 25 25 ILE HG12 H 1 2.086 0.030 . 2 . . . A 457 ILE HG12 . 11563 1 218 . 1 1 25 25 ILE HG13 H 1 0.685 0.030 . 2 . . . A 457 ILE HG13 . 11563 1 219 . 1 1 25 25 ILE HG21 H 1 0.921 0.030 . 1 . . . A 457 ILE HG21 . 11563 1 220 . 1 1 25 25 ILE HG22 H 1 0.921 0.030 . 1 . . . A 457 ILE HG22 . 11563 1 221 . 1 1 25 25 ILE HG23 H 1 0.921 0.030 . 1 . . . A 457 ILE HG23 . 11563 1 222 . 1 1 25 25 ILE HD11 H 1 0.661 0.030 . 1 . . . A 457 ILE HD11 . 11563 1 223 . 1 1 25 25 ILE HD12 H 1 0.661 0.030 . 1 . . . A 457 ILE HD12 . 11563 1 224 . 1 1 25 25 ILE HD13 H 1 0.661 0.030 . 1 . . . A 457 ILE HD13 . 11563 1 225 . 1 1 25 25 ILE C C 13 177.958 0.300 . 1 . . . A 457 ILE C . 11563 1 226 . 1 1 25 25 ILE CA C 13 66.986 0.300 . 1 . . . A 457 ILE CA . 11563 1 227 . 1 1 25 25 ILE CB C 13 38.362 0.300 . 1 . . . A 457 ILE CB . 11563 1 228 . 1 1 25 25 ILE CG1 C 13 29.612 0.300 . 1 . . . A 457 ILE CG1 . 11563 1 229 . 1 1 25 25 ILE CG2 C 13 18.862 0.300 . 1 . . . A 457 ILE CG2 . 11563 1 230 . 1 1 25 25 ILE CD1 C 13 14.388 0.300 . 1 . . . A 457 ILE CD1 . 11563 1 231 . 1 1 25 25 ILE N N 15 122.959 0.300 . 1 . . . A 457 ILE N . 11563 1 232 . 1 1 26 26 THR H H 1 8.502 0.030 . 1 . . . A 458 THR H . 11563 1 233 . 1 1 26 26 THR HA H 1 3.721 0.030 . 1 . . . A 458 THR HA . 11563 1 234 . 1 1 26 26 THR HB H 1 4.469 0.030 . 1 . . . A 458 THR HB . 11563 1 235 . 1 1 26 26 THR HG21 H 1 1.291 0.030 . 1 . . . A 458 THR HG21 . 11563 1 236 . 1 1 26 26 THR HG22 H 1 1.291 0.030 . 1 . . . A 458 THR HG22 . 11563 1 237 . 1 1 26 26 THR HG23 H 1 1.291 0.030 . 1 . . . A 458 THR HG23 . 11563 1 238 . 1 1 26 26 THR C C 13 176.219 0.300 . 1 . . . A 458 THR C . 11563 1 239 . 1 1 26 26 THR CA C 13 68.088 0.300 . 1 . . . A 458 THR CA . 11563 1 240 . 1 1 26 26 THR CB C 13 68.565 0.300 . 1 . . . A 458 THR CB . 11563 1 241 . 1 1 26 26 THR CG2 C 13 21.362 0.300 . 1 . . . A 458 THR CG2 . 11563 1 242 . 1 1 26 26 THR N N 15 115.947 0.300 . 1 . . . A 458 THR N . 11563 1 243 . 1 1 27 27 ALA H H 1 8.357 0.030 . 1 . . . A 459 ALA H . 11563 1 244 . 1 1 27 27 ALA HA H 1 4.063 0.030 . 1 . . . A 459 ALA HA . 11563 1 245 . 1 1 27 27 ALA HB1 H 1 1.546 0.030 . 1 . . . A 459 ALA HB1 . 11563 1 246 . 1 1 27 27 ALA HB2 H 1 1.546 0.030 . 1 . . . A 459 ALA HB2 . 11563 1 247 . 1 1 27 27 ALA HB3 H 1 1.546 0.030 . 1 . . . A 459 ALA HB3 . 11563 1 248 . 1 1 27 27 ALA C C 13 180.264 0.300 . 1 . . . A 459 ALA C . 11563 1 249 . 1 1 27 27 ALA CA C 13 55.259 0.300 . 1 . . . A 459 ALA CA . 11563 1 250 . 1 1 27 27 ALA CB C 13 18.339 0.300 . 1 . . . A 459 ALA CB . 11563 1 251 . 1 1 27 27 ALA N N 15 121.344 0.300 . 1 . . . A 459 ALA N . 11563 1 252 . 1 1 28 28 SER H H 1 7.918 0.030 . 1 . . . A 460 SER H . 11563 1 253 . 1 1 28 28 SER HA H 1 4.261 0.030 . 1 . . . A 460 SER HA . 11563 1 254 . 1 1 28 28 SER HB2 H 1 3.469 0.030 . 2 . . . A 460 SER HB2 . 11563 1 255 . 1 1 28 28 SER HB3 H 1 4.073 0.030 . 2 . . . A 460 SER HB3 . 11563 1 256 . 1 1 28 28 SER C C 13 174.056 0.300 . 1 . . . A 460 SER C . 11563 1 257 . 1 1 28 28 SER CA C 13 62.009 0.300 . 1 . . . A 460 SER CA . 11563 1 258 . 1 1 28 28 SER CB C 13 63.648 0.300 . 1 . . . A 460 SER CB . 11563 1 259 . 1 1 28 28 SER N N 15 113.264 0.300 . 1 . . . A 460 SER N . 11563 1 260 . 1 1 29 29 PHE H H 1 7.573 0.030 . 1 . . . A 461 PHE H . 11563 1 261 . 1 1 29 29 PHE HA H 1 4.964 0.030 . 1 . . . A 461 PHE HA . 11563 1 262 . 1 1 29 29 PHE HB2 H 1 3.651 0.030 . 2 . . . A 461 PHE HB2 . 11563 1 263 . 1 1 29 29 PHE HB3 H 1 2.781 0.030 . 2 . . . A 461 PHE HB3 . 11563 1 264 . 1 1 29 29 PHE HD1 H 1 7.632 0.030 . 1 . . . A 461 PHE HD1 . 11563 1 265 . 1 1 29 29 PHE HD2 H 1 7.632 0.030 . 1 . . . A 461 PHE HD2 . 11563 1 266 . 1 1 29 29 PHE HE1 H 1 7.104 0.030 . 1 . . . A 461 PHE HE1 . 11563 1 267 . 1 1 29 29 PHE HE2 H 1 7.104 0.030 . 1 . . . A 461 PHE HE2 . 11563 1 268 . 1 1 29 29 PHE HZ H 1 6.950 0.030 . 1 . . . A 461 PHE HZ . 11563 1 269 . 1 1 29 29 PHE C C 13 175.891 0.300 . 1 . . . A 461 PHE C . 11563 1 270 . 1 1 29 29 PHE CA C 13 59.236 0.300 . 1 . . . A 461 PHE CA . 11563 1 271 . 1 1 29 29 PHE CB C 13 41.886 0.300 . 1 . . . A 461 PHE CB . 11563 1 272 . 1 1 29 29 PHE CD1 C 13 132.722 0.300 . 1 . . . A 461 PHE CD1 . 11563 1 273 . 1 1 29 29 PHE CD2 C 13 132.722 0.300 . 1 . . . A 461 PHE CD2 . 11563 1 274 . 1 1 29 29 PHE CE1 C 13 130.470 0.300 . 1 . . . A 461 PHE CE1 . 11563 1 275 . 1 1 29 29 PHE CE2 C 13 130.470 0.300 . 1 . . . A 461 PHE CE2 . 11563 1 276 . 1 1 29 29 PHE CZ C 13 128.745 0.300 . 1 . . . A 461 PHE CZ . 11563 1 277 . 1 1 29 29 PHE N N 15 114.787 0.300 . 1 . . . A 461 PHE N . 11563 1 278 . 1 1 30 30 ARG H H 1 8.217 0.030 . 1 . . . A 462 ARG H . 11563 1 279 . 1 1 30 30 ARG HA H 1 4.592 0.030 . 1 . . . A 462 ARG HA . 11563 1 280 . 1 1 30 30 ARG HB2 H 1 2.068 0.030 . 2 . . . A 462 ARG HB2 . 11563 1 281 . 1 1 30 30 ARG HB3 H 1 1.872 0.030 . 2 . . . A 462 ARG HB3 . 11563 1 282 . 1 1 30 30 ARG HG2 H 1 1.779 0.030 . 2 . . . A 462 ARG HG2 . 11563 1 283 . 1 1 30 30 ARG HG3 H 1 1.610 0.030 . 2 . . . A 462 ARG HG3 . 11563 1 284 . 1 1 30 30 ARG HD2 H 1 3.412 0.030 . 2 . . . A 462 ARG HD2 . 11563 1 285 . 1 1 30 30 ARG HD3 H 1 3.159 0.030 . 2 . . . A 462 ARG HD3 . 11563 1 286 . 1 1 30 30 ARG C C 13 177.963 0.300 . 1 . . . A 462 ARG C . 11563 1 287 . 1 1 30 30 ARG CA C 13 57.079 0.300 . 1 . . . A 462 ARG CA . 11563 1 288 . 1 1 30 30 ARG CB C 13 29.112 0.300 . 1 . . . A 462 ARG CB . 11563 1 289 . 1 1 30 30 ARG CG C 13 26.853 0.300 . 1 . . . A 462 ARG CG . 11563 1 290 . 1 1 30 30 ARG CD C 13 43.102 0.300 . 1 . . . A 462 ARG CD . 11563 1 291 . 1 1 30 30 ARG N N 15 121.924 0.300 . 1 . . . A 462 ARG N . 11563 1 292 . 1 1 31 31 ARG H H 1 8.081 0.030 . 1 . . . A 463 ARG H . 11563 1 293 . 1 1 31 31 ARG HA H 1 4.106 0.030 . 1 . . . A 463 ARG HA . 11563 1 294 . 1 1 31 31 ARG HB2 H 1 1.598 0.030 . 2 . . . A 463 ARG HB2 . 11563 1 295 . 1 1 31 31 ARG HB3 H 1 1.418 0.030 . 2 . . . A 463 ARG HB3 . 11563 1 296 . 1 1 31 31 ARG HG2 H 1 0.821 0.030 . 2 . . . A 463 ARG HG2 . 11563 1 297 . 1 1 31 31 ARG HG3 H 1 0.044 0.030 . 2 . . . A 463 ARG HG3 . 11563 1 298 . 1 1 31 31 ARG HD2 H 1 2.814 0.030 . 1 . . . A 463 ARG HD2 . 11563 1 299 . 1 1 31 31 ARG HD3 H 1 2.814 0.030 . 1 . . . A 463 ARG HD3 . 11563 1 300 . 1 1 31 31 ARG C C 13 176.962 0.300 . 1 . . . A 463 ARG C . 11563 1 301 . 1 1 31 31 ARG CA C 13 57.542 0.300 . 1 . . . A 463 ARG CA . 11563 1 302 . 1 1 31 31 ARG CB C 13 28.454 0.300 . 1 . . . A 463 ARG CB . 11563 1 303 . 1 1 31 31 ARG CG C 13 24.728 0.300 . 1 . . . A 463 ARG CG . 11563 1 304 . 1 1 31 31 ARG CD C 13 43.612 0.300 . 1 . . . A 463 ARG CD . 11563 1 305 . 1 1 31 31 ARG N N 15 118.049 0.300 . 1 . . . A 463 ARG N . 11563 1 306 . 1 1 32 32 PHE H H 1 7.820 0.030 . 1 . . . A 464 PHE H . 11563 1 307 . 1 1 32 32 PHE HA H 1 4.593 0.030 . 1 . . . A 464 PHE HA . 11563 1 308 . 1 1 32 32 PHE HB2 H 1 3.499 0.030 . 2 . . . A 464 PHE HB2 . 11563 1 309 . 1 1 32 32 PHE HB3 H 1 3.102 0.030 . 2 . . . A 464 PHE HB3 . 11563 1 310 . 1 1 32 32 PHE HD1 H 1 7.576 0.030 . 1 . . . A 464 PHE HD1 . 11563 1 311 . 1 1 32 32 PHE HD2 H 1 7.576 0.030 . 1 . . . A 464 PHE HD2 . 11563 1 312 . 1 1 32 32 PHE HE1 H 1 7.299 0.030 . 1 . . . A 464 PHE HE1 . 11563 1 313 . 1 1 32 32 PHE HE2 H 1 7.299 0.030 . 1 . . . A 464 PHE HE2 . 11563 1 314 . 1 1 32 32 PHE HZ H 1 7.169 0.030 . 1 . . . A 464 PHE HZ . 11563 1 315 . 1 1 32 32 PHE C C 13 175.526 0.300 . 1 . . . A 464 PHE C . 11563 1 316 . 1 1 32 32 PHE CA C 13 59.315 0.300 . 1 . . . A 464 PHE CA . 11563 1 317 . 1 1 32 32 PHE CB C 13 38.544 0.300 . 1 . . . A 464 PHE CB . 11563 1 318 . 1 1 32 32 PHE CD1 C 13 131.416 0.300 . 1 . . . A 464 PHE CD1 . 11563 1 319 . 1 1 32 32 PHE CD2 C 13 131.416 0.300 . 1 . . . A 464 PHE CD2 . 11563 1 320 . 1 1 32 32 PHE CE1 C 13 131.859 0.300 . 1 . . . A 464 PHE CE1 . 11563 1 321 . 1 1 32 32 PHE CE2 C 13 131.859 0.300 . 1 . . . A 464 PHE CE2 . 11563 1 322 . 1 1 32 32 PHE CZ C 13 129.234 0.300 . 1 . . . A 464 PHE CZ . 11563 1 323 . 1 1 32 32 PHE N N 15 118.594 0.300 . 1 . . . A 464 PHE N . 11563 1 324 . 1 1 33 33 GLY H H 1 7.831 0.030 . 1 . . . A 465 GLY H . 11563 1 325 . 1 1 33 33 GLY HA2 H 1 4.017 0.030 . 2 . . . A 465 GLY HA2 . 11563 1 326 . 1 1 33 33 GLY HA3 H 1 4.680 0.030 . 2 . . . A 465 GLY HA3 . 11563 1 327 . 1 1 33 33 GLY C C 13 180.711 0.300 . 1 . . . A 465 GLY C . 11563 1 328 . 1 1 33 33 GLY CA C 13 44.737 0.300 . 1 . . . A 465 GLY CA . 11563 1 329 . 1 1 33 33 GLY N N 15 111.072 0.300 . 1 . . . A 465 GLY N . 11563 1 330 . 1 1 34 34 PRO HA H 1 4.380 0.030 . 1 . . . A 466 PRO HA . 11563 1 331 . 1 1 34 34 PRO HB2 H 1 1.901 0.030 . 2 . . . A 466 PRO HB2 . 11563 1 332 . 1 1 34 34 PRO HB3 H 1 2.332 0.030 . 2 . . . A 466 PRO HB3 . 11563 1 333 . 1 1 34 34 PRO HG2 H 1 2.128 0.030 . 2 . . . A 466 PRO HG2 . 11563 1 334 . 1 1 34 34 PRO HG3 H 1 2.035 0.030 . 2 . . . A 466 PRO HG3 . 11563 1 335 . 1 1 34 34 PRO HD2 H 1 3.819 0.030 . 2 . . . A 466 PRO HD2 . 11563 1 336 . 1 1 34 34 PRO HD3 H 1 3.618 0.030 . 2 . . . A 466 PRO HD3 . 11563 1 337 . 1 1 34 34 PRO C C 13 176.735 0.300 . 1 . . . A 466 PRO C . 11563 1 338 . 1 1 34 34 PRO CA C 13 63.759 0.300 . 1 . . . A 466 PRO CA . 11563 1 339 . 1 1 34 34 PRO CB C 13 32.362 0.300 . 1 . . . A 466 PRO CB . 11563 1 340 . 1 1 34 34 PRO CG C 13 28.164 0.300 . 1 . . . A 466 PRO CG . 11563 1 341 . 1 1 34 34 PRO CD C 13 49.486 0.300 . 1 . . . A 466 PRO CD . 11563 1 342 . 1 1 35 35 LEU H H 1 8.161 0.030 . 1 . . . A 467 LEU H . 11563 1 343 . 1 1 35 35 LEU HA H 1 5.119 0.030 . 1 . . . A 467 LEU HA . 11563 1 344 . 1 1 35 35 LEU HB2 H 1 1.367 0.030 . 2 . . . A 467 LEU HB2 . 11563 1 345 . 1 1 35 35 LEU HB3 H 1 0.687 0.030 . 2 . . . A 467 LEU HB3 . 11563 1 346 . 1 1 35 35 LEU HG H 1 1.302 0.030 . 1 . . . A 467 LEU HG . 11563 1 347 . 1 1 35 35 LEU HD11 H 1 0.505 0.030 . 1 . . . A 467 LEU HD11 . 11563 1 348 . 1 1 35 35 LEU HD12 H 1 0.505 0.030 . 1 . . . A 467 LEU HD12 . 11563 1 349 . 1 1 35 35 LEU HD13 H 1 0.505 0.030 . 1 . . . A 467 LEU HD13 . 11563 1 350 . 1 1 35 35 LEU HD21 H 1 1.114 0.030 . 1 . . . A 467 LEU HD21 . 11563 1 351 . 1 1 35 35 LEU HD22 H 1 1.114 0.030 . 1 . . . A 467 LEU HD22 . 11563 1 352 . 1 1 35 35 LEU HD23 H 1 1.114 0.030 . 1 . . . A 467 LEU HD23 . 11563 1 353 . 1 1 35 35 LEU C C 13 174.256 0.300 . 1 . . . A 467 LEU C . 11563 1 354 . 1 1 35 35 LEU CA C 13 55.518 0.300 . 1 . . . A 467 LEU CA . 11563 1 355 . 1 1 35 35 LEU CB C 13 43.828 0.300 . 1 . . . A 467 LEU CB . 11563 1 356 . 1 1 35 35 LEU CG C 13 27.294 0.300 . 1 . . . A 467 LEU CG . 11563 1 357 . 1 1 35 35 LEU CD1 C 13 29.635 0.300 . 2 . . . A 467 LEU CD1 . 11563 1 358 . 1 1 35 35 LEU CD2 C 13 25.612 0.300 . 2 . . . A 467 LEU CD2 . 11563 1 359 . 1 1 35 35 LEU N N 15 120.867 0.300 . 1 . . . A 467 LEU N . 11563 1 360 . 1 1 36 36 VAL H H 1 7.837 0.030 . 1 . . . A 468 VAL H . 11563 1 361 . 1 1 36 36 VAL HA H 1 4.364 0.030 . 1 . . . A 468 VAL HA . 11563 1 362 . 1 1 36 36 VAL HB H 1 2.004 0.030 . 1 . . . A 468 VAL HB . 11563 1 363 . 1 1 36 36 VAL HG11 H 1 0.900 0.030 . 1 . . . A 468 VAL HG11 . 11563 1 364 . 1 1 36 36 VAL HG12 H 1 0.900 0.030 . 1 . . . A 468 VAL HG12 . 11563 1 365 . 1 1 36 36 VAL HG13 H 1 0.900 0.030 . 1 . . . A 468 VAL HG13 . 11563 1 366 . 1 1 36 36 VAL HG21 H 1 0.874 0.030 . 1 . . . A 468 VAL HG21 . 11563 1 367 . 1 1 36 36 VAL HG22 H 1 0.874 0.030 . 1 . . . A 468 VAL HG22 . 11563 1 368 . 1 1 36 36 VAL HG23 H 1 0.874 0.030 . 1 . . . A 468 VAL HG23 . 11563 1 369 . 1 1 36 36 VAL C C 13 173.598 0.300 . 1 . . . A 468 VAL C . 11563 1 370 . 1 1 36 36 VAL CA C 13 60.611 0.300 . 1 . . . A 468 VAL CA . 11563 1 371 . 1 1 36 36 VAL CB C 13 35.407 0.300 . 1 . . . A 468 VAL CB . 11563 1 372 . 1 1 36 36 VAL CG1 C 13 21.440 0.300 . 2 . . . A 468 VAL CG1 . 11563 1 373 . 1 1 36 36 VAL CG2 C 13 20.624 0.300 . 2 . . . A 468 VAL CG2 . 11563 1 374 . 1 1 36 36 VAL N N 15 115.685 0.300 . 1 . . . A 468 VAL N . 11563 1 375 . 1 1 37 37 VAL H H 1 8.592 0.030 . 1 . . . A 469 VAL H . 11563 1 376 . 1 1 37 37 VAL HA H 1 4.735 0.030 . 1 . . . A 469 VAL HA . 11563 1 377 . 1 1 37 37 VAL HB H 1 1.922 0.030 . 1 . . . A 469 VAL HB . 11563 1 378 . 1 1 37 37 VAL HG11 H 1 1.007 0.030 . 1 . . . A 469 VAL HG11 . 11563 1 379 . 1 1 37 37 VAL HG12 H 1 1.007 0.030 . 1 . . . A 469 VAL HG12 . 11563 1 380 . 1 1 37 37 VAL HG13 H 1 1.007 0.030 . 1 . . . A 469 VAL HG13 . 11563 1 381 . 1 1 37 37 VAL HG21 H 1 0.887 0.030 . 1 . . . A 469 VAL HG21 . 11563 1 382 . 1 1 37 37 VAL HG22 H 1 0.887 0.030 . 1 . . . A 469 VAL HG22 . 11563 1 383 . 1 1 37 37 VAL HG23 H 1 0.887 0.030 . 1 . . . A 469 VAL HG23 . 11563 1 384 . 1 1 37 37 VAL C C 13 173.728 0.300 . 1 . . . A 469 VAL C . 11563 1 385 . 1 1 37 37 VAL CA C 13 61.099 0.300 . 1 . . . A 469 VAL CA . 11563 1 386 . 1 1 37 37 VAL CB C 13 33.782 0.300 . 1 . . . A 469 VAL CB . 11563 1 387 . 1 1 37 37 VAL CG1 C 13 22.203 0.300 . 2 . . . A 469 VAL CG1 . 11563 1 388 . 1 1 37 37 VAL CG2 C 13 22.612 0.300 . 2 . . . A 469 VAL CG2 . 11563 1 389 . 1 1 37 37 VAL N N 15 123.822 0.300 . 1 . . . A 469 VAL N . 11563 1 390 . 1 1 38 38 ASP H H 1 9.275 0.030 . 1 . . . A 470 ASP H . 11563 1 391 . 1 1 38 38 ASP HA H 1 4.772 0.030 . 1 . . . A 470 ASP HA . 11563 1 392 . 1 1 38 38 ASP HB2 H 1 2.476 0.030 . 2 . . . A 470 ASP HB2 . 11563 1 393 . 1 1 38 38 ASP HB3 H 1 2.349 0.030 . 2 . . . A 470 ASP HB3 . 11563 1 394 . 1 1 38 38 ASP C C 13 174.052 0.300 . 1 . . . A 470 ASP C . 11563 1 395 . 1 1 38 38 ASP CA C 13 52.253 0.300 . 1 . . . A 470 ASP CA . 11563 1 396 . 1 1 38 38 ASP CB C 13 46.180 0.300 . 1 . . . A 470 ASP CB . 11563 1 397 . 1 1 38 38 ASP N N 15 125.950 0.300 . 1 . . . A 470 ASP N . 11563 1 398 . 1 1 39 39 TRP H H 1 7.967 0.030 . 1 . . . A 471 TRP H . 11563 1 399 . 1 1 39 39 TRP HA H 1 4.816 0.030 . 1 . . . A 471 TRP HA . 11563 1 400 . 1 1 39 39 TRP HB2 H 1 3.724 0.030 . 2 . . . A 471 TRP HB2 . 11563 1 401 . 1 1 39 39 TRP HB3 H 1 3.128 0.030 . 2 . . . A 471 TRP HB3 . 11563 1 402 . 1 1 39 39 TRP HD1 H 1 7.212 0.030 . 1 . . . A 471 TRP HD1 . 11563 1 403 . 1 1 39 39 TRP HE1 H 1 10.385 0.030 . 1 . . . A 471 TRP HE1 . 11563 1 404 . 1 1 39 39 TRP HE3 H 1 7.212 0.030 . 1 . . . A 471 TRP HE3 . 11563 1 405 . 1 1 39 39 TRP HZ2 H 1 7.207 0.030 . 1 . . . A 471 TRP HZ2 . 11563 1 406 . 1 1 39 39 TRP HZ3 H 1 6.576 0.030 . 1 . . . A 471 TRP HZ3 . 11563 1 407 . 1 1 39 39 TRP HH2 H 1 6.911 0.030 . 1 . . . A 471 TRP HH2 . 11563 1 408 . 1 1 39 39 TRP C C 13 172.560 0.300 . 1 . . . A 471 TRP C . 11563 1 409 . 1 1 39 39 TRP CA C 13 56.998 0.300 . 1 . . . A 471 TRP CA . 11563 1 410 . 1 1 39 39 TRP CB C 13 26.612 0.300 . 1 . . . A 471 TRP CB . 11563 1 411 . 1 1 39 39 TRP CD1 C 13 128.161 0.300 . 1 . . . A 471 TRP CD1 . 11563 1 412 . 1 1 39 39 TRP CE3 C 13 119.874 0.300 . 1 . . . A 471 TRP CE3 . 11563 1 413 . 1 1 39 39 TRP CZ2 C 13 115.317 0.300 . 1 . . . A 471 TRP CZ2 . 11563 1 414 . 1 1 39 39 TRP CZ3 C 13 120.470 0.300 . 1 . . . A 471 TRP CZ3 . 11563 1 415 . 1 1 39 39 TRP CH2 C 13 123.373 0.300 . 1 . . . A 471 TRP CH2 . 11563 1 416 . 1 1 39 39 TRP N N 15 116.980 0.300 . 1 . . . A 471 TRP N . 11563 1 417 . 1 1 39 39 TRP NE1 N 15 131.166 0.300 . 1 . . . A 471 TRP NE1 . 11563 1 418 . 1 1 40 40 PRO HA H 1 4.296 0.030 . 1 . . . A 472 PRO HA . 11563 1 419 . 1 1 40 40 PRO HB2 H 1 1.976 0.030 . 2 . . . A 472 PRO HB2 . 11563 1 420 . 1 1 40 40 PRO HB3 H 1 2.229 0.030 . 2 . . . A 472 PRO HB3 . 11563 1 421 . 1 1 40 40 PRO HG2 H 1 2.466 0.030 . 2 . . . A 472 PRO HG2 . 11563 1 422 . 1 1 40 40 PRO HG3 H 1 2.179 0.030 . 2 . . . A 472 PRO HG3 . 11563 1 423 . 1 1 40 40 PRO HD2 H 1 3.801 0.030 . 2 . . . A 472 PRO HD2 . 11563 1 424 . 1 1 40 40 PRO HD3 H 1 3.731 0.030 . 2 . . . A 472 PRO HD3 . 11563 1 425 . 1 1 40 40 PRO C C 13 177.100 0.300 . 1 . . . A 472 PRO C . 11563 1 426 . 1 1 40 40 PRO CA C 13 64.781 0.300 . 1 . . . A 472 PRO CA . 11563 1 427 . 1 1 40 40 PRO CB C 13 31.703 0.300 . 1 . . . A 472 PRO CB . 11563 1 428 . 1 1 40 40 PRO CG C 13 28.385 0.300 . 1 . . . A 472 PRO CG . 11563 1 429 . 1 1 40 40 PRO CD C 13 50.918 0.300 . 1 . . . A 472 PRO CD . 11563 1 430 . 1 1 41 41 HIS H H 1 8.991 0.030 . 1 . . . A 473 HIS H . 11563 1 431 . 1 1 41 41 HIS HA H 1 4.439 0.030 . 1 . . . A 473 HIS HA . 11563 1 432 . 1 1 41 41 HIS HB2 H 1 3.568 0.030 . 2 . . . A 473 HIS HB2 . 11563 1 433 . 1 1 41 41 HIS HB3 H 1 3.419 0.030 . 2 . . . A 473 HIS HB3 . 11563 1 434 . 1 1 41 41 HIS HD2 H 1 7.059 0.030 . 1 . . . A 473 HIS HD2 . 11563 1 435 . 1 1 41 41 HIS HE1 H 1 8.171 0.030 . 1 . . . A 473 HIS HE1 . 11563 1 436 . 1 1 41 41 HIS C C 13 175.798 0.300 . 1 . . . A 473 HIS C . 11563 1 437 . 1 1 41 41 HIS CA C 13 57.242 0.300 . 1 . . . A 473 HIS CA . 11563 1 438 . 1 1 41 41 HIS CB C 13 27.493 0.300 . 1 . . . A 473 HIS CB . 11563 1 439 . 1 1 41 41 HIS CD2 C 13 120.939 0.300 . 1 . . . A 473 HIS CD2 . 11563 1 440 . 1 1 41 41 HIS CE1 C 13 137.859 0.300 . 1 . . . A 473 HIS CE1 . 11563 1 441 . 1 1 41 41 HIS N N 15 116.024 0.300 . 1 . . . A 473 HIS N . 11563 1 442 . 1 1 42 42 LYS H H 1 7.907 0.030 . 1 . . . A 474 LYS H . 11563 1 443 . 1 1 42 42 LYS HA H 1 3.756 0.030 . 1 . . . A 474 LYS HA . 11563 1 444 . 1 1 42 42 LYS HB2 H 1 1.465 0.030 . 2 . . . A 474 LYS HB2 . 11563 1 445 . 1 1 42 42 LYS HB3 H 1 0.568 0.030 . 2 . . . A 474 LYS HB3 . 11563 1 446 . 1 1 42 42 LYS HG2 H 1 0.892 0.030 . 2 . . . A 474 LYS HG2 . 11563 1 447 . 1 1 42 42 LYS HG3 H 1 0.446 0.030 . 2 . . . A 474 LYS HG3 . 11563 1 448 . 1 1 42 42 LYS HD2 H 1 1.052 0.030 . 2 . . . A 474 LYS HD2 . 11563 1 449 . 1 1 42 42 LYS HD3 H 1 -0.057 0.030 . 2 . . . A 474 LYS HD3 . 11563 1 450 . 1 1 42 42 LYS HE2 H 1 2.299 0.030 . 2 . . . A 474 LYS HE2 . 11563 1 451 . 1 1 42 42 LYS HE3 H 1 2.162 0.030 . 2 . . . A 474 LYS HE3 . 11563 1 452 . 1 1 42 42 LYS C C 13 178.521 0.300 . 1 . . . A 474 LYS C . 11563 1 453 . 1 1 42 42 LYS CA C 13 60.361 0.300 . 1 . . . A 474 LYS CA . 11563 1 454 . 1 1 42 42 LYS CB C 13 32.721 0.300 . 1 . . . A 474 LYS CB . 11563 1 455 . 1 1 42 42 LYS CG C 13 24.886 0.300 . 1 . . . A 474 LYS CG . 11563 1 456 . 1 1 42 42 LYS CD C 13 29.635 0.300 . 1 . . . A 474 LYS CD . 11563 1 457 . 1 1 42 42 LYS CE C 13 41.873 0.300 . 1 . . . A 474 LYS CE . 11563 1 458 . 1 1 42 42 LYS N N 15 123.661 0.300 . 1 . . . A 474 LYS N . 11563 1 459 . 1 1 43 43 ALA H H 1 8.634 0.030 . 1 . . . A 475 ALA H . 11563 1 460 . 1 1 43 43 ALA HA H 1 4.149 0.030 . 1 . . . A 475 ALA HA . 11563 1 461 . 1 1 43 43 ALA HB1 H 1 1.404 0.030 . 1 . . . A 475 ALA HB1 . 11563 1 462 . 1 1 43 43 ALA HB2 H 1 1.404 0.030 . 1 . . . A 475 ALA HB2 . 11563 1 463 . 1 1 43 43 ALA HB3 H 1 1.404 0.030 . 1 . . . A 475 ALA HB3 . 11563 1 464 . 1 1 43 43 ALA C C 13 179.196 0.300 . 1 . . . A 475 ALA C . 11563 1 465 . 1 1 43 43 ALA CA C 13 54.146 0.300 . 1 . . . A 475 ALA CA . 11563 1 466 . 1 1 43 43 ALA CB C 13 18.429 0.300 . 1 . . . A 475 ALA CB . 11563 1 467 . 1 1 43 43 ALA N N 15 119.412 0.300 . 1 . . . A 475 ALA N . 11563 1 468 . 1 1 44 44 GLU H H 1 8.137 0.030 . 1 . . . A 476 GLU H . 11563 1 469 . 1 1 44 44 GLU HA H 1 4.232 0.030 . 1 . . . A 476 GLU HA . 11563 1 470 . 1 1 44 44 GLU HB2 H 1 2.146 0.030 . 2 . . . A 476 GLU HB2 . 11563 1 471 . 1 1 44 44 GLU HB3 H 1 2.053 0.030 . 2 . . . A 476 GLU HB3 . 11563 1 472 . 1 1 44 44 GLU HG2 H 1 2.388 0.030 . 2 . . . A 476 GLU HG2 . 11563 1 473 . 1 1 44 44 GLU HG3 H 1 2.267 0.030 . 2 . . . A 476 GLU HG3 . 11563 1 474 . 1 1 44 44 GLU C C 13 177.027 0.300 . 1 . . . A 476 GLU C . 11563 1 475 . 1 1 44 44 GLU CA C 13 57.600 0.300 . 1 . . . A 476 GLU CA . 11563 1 476 . 1 1 44 44 GLU CB C 13 30.041 0.300 . 1 . . . A 476 GLU CB . 11563 1 477 . 1 1 44 44 GLU CG C 13 36.600 0.300 . 1 . . . A 476 GLU CG . 11563 1 478 . 1 1 44 44 GLU N N 15 116.582 0.300 . 1 . . . A 476 GLU N . 11563 1 479 . 1 1 45 45 SER H H 1 8.031 0.030 . 1 . . . A 477 SER H . 11563 1 480 . 1 1 45 45 SER HA H 1 4.486 0.030 . 1 . . . A 477 SER HA . 11563 1 481 . 1 1 45 45 SER HB2 H 1 4.080 0.030 . 1 . . . A 477 SER HB2 . 11563 1 482 . 1 1 45 45 SER HB3 H 1 4.080 0.030 . 1 . . . A 477 SER HB3 . 11563 1 483 . 1 1 45 45 SER C C 13 174.430 0.300 . 1 . . . A 477 SER C . 11563 1 484 . 1 1 45 45 SER CA C 13 58.736 0.300 . 1 . . . A 477 SER CA . 11563 1 485 . 1 1 45 45 SER CB C 13 64.419 0.300 . 1 . . . A 477 SER CB . 11563 1 486 . 1 1 45 45 SER N N 15 113.935 0.300 . 1 . . . A 477 SER N . 11563 1 487 . 1 1 46 46 LYS H H 1 8.255 0.030 . 1 . . . A 478 LYS H . 11563 1 488 . 1 1 46 46 LYS HA H 1 4.197 0.030 . 1 . . . A 478 LYS HA . 11563 1 489 . 1 1 46 46 LYS HB2 H 1 1.959 0.030 . 2 . . . A 478 LYS HB2 . 11563 1 490 . 1 1 46 46 LYS HB3 H 1 1.865 0.030 . 2 . . . A 478 LYS HB3 . 11563 1 491 . 1 1 46 46 LYS HG2 H 1 1.426 0.030 . 1 . . . A 478 LYS HG2 . 11563 1 492 . 1 1 46 46 LYS HG3 H 1 1.426 0.030 . 1 . . . A 478 LYS HG3 . 11563 1 493 . 1 1 46 46 LYS HD2 H 1 1.678 0.030 . 1 . . . A 478 LYS HD2 . 11563 1 494 . 1 1 46 46 LYS HD3 H 1 1.678 0.030 . 1 . . . A 478 LYS HD3 . 11563 1 495 . 1 1 46 46 LYS HE2 H 1 3.015 0.030 . 1 . . . A 478 LYS HE2 . 11563 1 496 . 1 1 46 46 LYS HE3 H 1 3.015 0.030 . 1 . . . A 478 LYS HE3 . 11563 1 497 . 1 1 46 46 LYS C C 13 175.841 0.300 . 1 . . . A 478 LYS C . 11563 1 498 . 1 1 46 46 LYS CA C 13 56.646 0.300 . 1 . . . A 478 LYS CA . 11563 1 499 . 1 1 46 46 LYS CB C 13 30.988 0.300 . 1 . . . A 478 LYS CB . 11563 1 500 . 1 1 46 46 LYS CG C 13 24.853 0.300 . 1 . . . A 478 LYS CG . 11563 1 501 . 1 1 46 46 LYS CD C 13 29.104 0.300 . 1 . . . A 478 LYS CD . 11563 1 502 . 1 1 46 46 LYS CE C 13 42.319 0.300 . 1 . . . A 478 LYS CE . 11563 1 503 . 1 1 46 46 LYS N N 15 120.078 0.300 . 1 . . . A 478 LYS N . 11563 1 504 . 1 1 47 47 SER H H 1 7.888 0.030 . 1 . . . A 479 SER H . 11563 1 505 . 1 1 47 47 SER HA H 1 4.506 0.030 . 1 . . . A 479 SER HA . 11563 1 506 . 1 1 47 47 SER HB2 H 1 3.981 0.030 . 2 . . . A 479 SER HB2 . 11563 1 507 . 1 1 47 47 SER HB3 H 1 3.922 0.030 . 2 . . . A 479 SER HB3 . 11563 1 508 . 1 1 47 47 SER C C 13 174.964 0.300 . 1 . . . A 479 SER C . 11563 1 509 . 1 1 47 47 SER CA C 13 57.251 0.300 . 1 . . . A 479 SER CA . 11563 1 510 . 1 1 47 47 SER CB C 13 64.429 0.300 . 1 . . . A 479 SER CB . 11563 1 511 . 1 1 47 47 SER N N 15 113.322 0.300 . 1 . . . A 479 SER N . 11563 1 512 . 1 1 48 48 TYR H H 1 8.592 0.030 . 1 . . . A 480 TYR H . 11563 1 513 . 1 1 48 48 TYR HA H 1 4.786 0.030 . 1 . . . A 480 TYR HA . 11563 1 514 . 1 1 48 48 TYR HB2 H 1 3.147 0.030 . 2 . . . A 480 TYR HB2 . 11563 1 515 . 1 1 48 48 TYR HB3 H 1 2.635 0.030 . 2 . . . A 480 TYR HB3 . 11563 1 516 . 1 1 48 48 TYR HD1 H 1 7.120 0.030 . 1 . . . A 480 TYR HD1 . 11563 1 517 . 1 1 48 48 TYR HD2 H 1 7.120 0.030 . 1 . . . A 480 TYR HD2 . 11563 1 518 . 1 1 48 48 TYR HE1 H 1 6.852 0.030 . 1 . . . A 480 TYR HE1 . 11563 1 519 . 1 1 48 48 TYR HE2 H 1 6.852 0.030 . 1 . . . A 480 TYR HE2 . 11563 1 520 . 1 1 48 48 TYR C C 13 173.988 0.300 . 1 . . . A 480 TYR C . 11563 1 521 . 1 1 48 48 TYR CA C 13 58.059 0.300 . 1 . . . A 480 TYR CA . 11563 1 522 . 1 1 48 48 TYR CB C 13 38.613 0.300 . 1 . . . A 480 TYR CB . 11563 1 523 . 1 1 48 48 TYR CD1 C 13 132.984 0.300 . 1 . . . A 480 TYR CD1 . 11563 1 524 . 1 1 48 48 TYR CD2 C 13 132.984 0.300 . 1 . . . A 480 TYR CD2 . 11563 1 525 . 1 1 48 48 TYR CE1 C 13 118.354 0.300 . 1 . . . A 480 TYR CE1 . 11563 1 526 . 1 1 48 48 TYR CE2 C 13 118.354 0.300 . 1 . . . A 480 TYR CE2 . 11563 1 527 . 1 1 48 48 TYR N N 15 122.514 0.300 . 1 . . . A 480 TYR N . 11563 1 528 . 1 1 49 49 PHE H H 1 7.650 0.030 . 1 . . . A 481 PHE H . 11563 1 529 . 1 1 49 49 PHE HA H 1 5.008 0.030 . 1 . . . A 481 PHE HA . 11563 1 530 . 1 1 49 49 PHE HB2 H 1 2.963 0.030 . 2 . . . A 481 PHE HB2 . 11563 1 531 . 1 1 49 49 PHE HB3 H 1 2.588 0.030 . 2 . . . A 481 PHE HB3 . 11563 1 532 . 1 1 49 49 PHE HD1 H 1 7.118 0.030 . 1 . . . A 481 PHE HD1 . 11563 1 533 . 1 1 49 49 PHE HD2 H 1 7.118 0.030 . 1 . . . A 481 PHE HD2 . 11563 1 534 . 1 1 49 49 PHE HE1 H 1 7.294 0.030 . 1 . . . A 481 PHE HE1 . 11563 1 535 . 1 1 49 49 PHE HE2 H 1 7.294 0.030 . 1 . . . A 481 PHE HE2 . 11563 1 536 . 1 1 49 49 PHE C C 13 173.131 0.300 . 1 . . . A 481 PHE C . 11563 1 537 . 1 1 49 49 PHE CA C 13 53.725 0.300 . 1 . . . A 481 PHE CA . 11563 1 538 . 1 1 49 49 PHE CB C 13 40.271 0.300 . 1 . . . A 481 PHE CB . 11563 1 539 . 1 1 49 49 PHE CD1 C 13 132.484 0.300 . 1 . . . A 481 PHE CD1 . 11563 1 540 . 1 1 49 49 PHE CD2 C 13 132.484 0.300 . 1 . . . A 481 PHE CD2 . 11563 1 541 . 1 1 49 49 PHE CE1 C 13 131.066 0.300 . 1 . . . A 481 PHE CE1 . 11563 1 542 . 1 1 49 49 PHE CE2 C 13 131.066 0.300 . 1 . . . A 481 PHE CE2 . 11563 1 543 . 1 1 49 49 PHE N N 15 117.707 0.300 . 1 . . . A 481 PHE N . 11563 1 544 . 1 1 50 50 PRO HA H 1 2.651 0.030 . 1 . . . A 482 PRO HA . 11563 1 545 . 1 1 50 50 PRO HB2 H 1 1.303 0.030 . 1 . . . A 482 PRO HB2 . 11563 1 546 . 1 1 50 50 PRO HB3 H 1 1.303 0.030 . 1 . . . A 482 PRO HB3 . 11563 1 547 . 1 1 50 50 PRO HG2 H 1 1.440 0.030 . 2 . . . A 482 PRO HG2 . 11563 1 548 . 1 1 50 50 PRO HG3 H 1 0.825 0.030 . 2 . . . A 482 PRO HG3 . 11563 1 549 . 1 1 50 50 PRO HD2 H 1 3.534 0.030 . 2 . . . A 482 PRO HD2 . 11563 1 550 . 1 1 50 50 PRO HD3 H 1 3.022 0.030 . 2 . . . A 482 PRO HD3 . 11563 1 551 . 1 1 50 50 PRO CA C 13 59.702 0.300 . 1 . . . A 482 PRO CA . 11563 1 552 . 1 1 50 50 PRO CB C 13 30.248 0.300 . 1 . . . A 482 PRO CB . 11563 1 553 . 1 1 50 50 PRO CG C 13 27.112 0.300 . 1 . . . A 482 PRO CG . 11563 1 554 . 1 1 50 50 PRO CD C 13 49.850 0.300 . 1 . . . A 482 PRO CD . 11563 1 555 . 1 1 51 51 PRO HA H 1 4.250 0.030 . 1 . . . A 483 PRO HA . 11563 1 556 . 1 1 51 51 PRO HB2 H 1 1.900 0.030 . 2 . . . A 483 PRO HB2 . 11563 1 557 . 1 1 51 51 PRO HB3 H 1 2.282 0.030 . 2 . . . A 483 PRO HB3 . 11563 1 558 . 1 1 51 51 PRO HG2 H 1 2.074 0.030 . 2 . . . A 483 PRO HG2 . 11563 1 559 . 1 1 51 51 PRO HG3 H 1 1.960 0.030 . 2 . . . A 483 PRO HG3 . 11563 1 560 . 1 1 51 51 PRO HD2 H 1 3.502 0.030 . 2 . . . A 483 PRO HD2 . 11563 1 561 . 1 1 51 51 PRO HD3 H 1 3.253 0.030 . 2 . . . A 483 PRO HD3 . 11563 1 562 . 1 1 51 51 PRO C C 13 177.715 0.300 . 1 . . . A 483 PRO C . 11563 1 563 . 1 1 51 51 PRO CA C 13 64.350 0.300 . 1 . . . A 483 PRO CA . 11563 1 564 . 1 1 51 51 PRO CB C 13 32.353 0.300 . 1 . . . A 483 PRO CB . 11563 1 565 . 1 1 51 51 PRO CG C 13 27.214 0.300 . 1 . . . A 483 PRO CG . 11563 1 566 . 1 1 51 51 PRO CD C 13 51.032 0.300 . 1 . . . A 483 PRO CD . 11563 1 567 . 1 1 52 52 LYS H H 1 8.238 0.030 . 1 . . . A 484 LYS H . 11563 1 568 . 1 1 52 52 LYS HA H 1 4.557 0.030 . 1 . . . A 484 LYS HA . 11563 1 569 . 1 1 52 52 LYS HB2 H 1 2.225 0.030 . 2 . . . A 484 LYS HB2 . 11563 1 570 . 1 1 52 52 LYS HB3 H 1 1.652 0.030 . 2 . . . A 484 LYS HB3 . 11563 1 571 . 1 1 52 52 LYS HG2 H 1 1.453 0.030 . 2 . . . A 484 LYS HG2 . 11563 1 572 . 1 1 52 52 LYS HG3 H 1 1.344 0.030 . 2 . . . A 484 LYS HG3 . 11563 1 573 . 1 1 52 52 LYS HD2 H 1 1.781 0.030 . 2 . . . A 484 LYS HD2 . 11563 1 574 . 1 1 52 52 LYS HD3 H 1 1.810 0.030 . 2 . . . A 484 LYS HD3 . 11563 1 575 . 1 1 52 52 LYS HE2 H 1 3.066 0.030 . 1 . . . A 484 LYS HE2 . 11563 1 576 . 1 1 52 52 LYS HE3 H 1 3.066 0.030 . 1 . . . A 484 LYS HE3 . 11563 1 577 . 1 1 52 52 LYS CA C 13 54.884 0.300 . 1 . . . A 484 LYS CA . 11563 1 578 . 1 1 52 52 LYS CB C 13 33.148 0.300 . 1 . . . A 484 LYS CB . 11563 1 579 . 1 1 52 52 LYS CG C 13 25.323 0.300 . 1 . . . A 484 LYS CG . 11563 1 580 . 1 1 52 52 LYS CD C 13 29.122 0.300 . 1 . . . A 484 LYS CD . 11563 1 581 . 1 1 52 52 LYS CE C 13 42.429 0.300 . 1 . . . A 484 LYS CE . 11563 1 582 . 1 1 52 52 LYS N N 15 116.867 0.300 . 1 . . . A 484 LYS N . 11563 1 583 . 1 1 53 53 GLY H H 1 7.226 0.030 . 1 . . . A 485 GLY H . 11563 1 584 . 1 1 53 53 GLY HA2 H 1 4.096 0.030 . 2 . . . A 485 GLY HA2 . 11563 1 585 . 1 1 53 53 GLY HA3 H 1 3.797 0.030 . 2 . . . A 485 GLY HA3 . 11563 1 586 . 1 1 53 53 GLY C C 13 172.096 0.300 . 1 . . . A 485 GLY C . 11563 1 587 . 1 1 53 53 GLY CA C 13 46.579 0.300 . 1 . . . A 485 GLY CA . 11563 1 588 . 1 1 54 54 TYR H H 1 6.977 0.030 . 1 . . . A 486 TYR H . 11563 1 589 . 1 1 54 54 TYR HA H 1 5.569 0.030 . 1 . . . A 486 TYR HA . 11563 1 590 . 1 1 54 54 TYR HB2 H 1 2.763 0.030 . 2 . . . A 486 TYR HB2 . 11563 1 591 . 1 1 54 54 TYR HB3 H 1 2.684 0.030 . 2 . . . A 486 TYR HB3 . 11563 1 592 . 1 1 54 54 TYR HD1 H 1 6.723 0.030 . 1 . . . A 486 TYR HD1 . 11563 1 593 . 1 1 54 54 TYR HD2 H 1 6.723 0.030 . 1 . . . A 486 TYR HD2 . 11563 1 594 . 1 1 54 54 TYR HE1 H 1 6.816 0.030 . 1 . . . A 486 TYR HE1 . 11563 1 595 . 1 1 54 54 TYR HE2 H 1 6.816 0.030 . 1 . . . A 486 TYR HE2 . 11563 1 596 . 1 1 54 54 TYR C C 13 172.633 0.300 . 1 . . . A 486 TYR C . 11563 1 597 . 1 1 54 54 TYR CA C 13 54.690 0.300 . 1 . . . A 486 TYR CA . 11563 1 598 . 1 1 54 54 TYR CB C 13 42.113 0.300 . 1 . . . A 486 TYR CB . 11563 1 599 . 1 1 54 54 TYR CD1 C 13 134.029 0.300 . 1 . . . A 486 TYR CD1 . 11563 1 600 . 1 1 54 54 TYR CD2 C 13 134.029 0.300 . 1 . . . A 486 TYR CD2 . 11563 1 601 . 1 1 54 54 TYR CE1 C 13 118.109 0.300 . 1 . . . A 486 TYR CE1 . 11563 1 602 . 1 1 54 54 TYR CE2 C 13 118.109 0.300 . 1 . . . A 486 TYR CE2 . 11563 1 603 . 1 1 54 54 TYR N N 15 114.315 0.300 . 1 . . . A 486 TYR N . 11563 1 604 . 1 1 55 55 ALA H H 1 8.686 0.030 . 1 . . . A 487 ALA H . 11563 1 605 . 1 1 55 55 ALA HA H 1 4.487 0.030 . 1 . . . A 487 ALA HA . 11563 1 606 . 1 1 55 55 ALA HB1 H 1 1.205 0.030 . 1 . . . A 487 ALA HB1 . 11563 1 607 . 1 1 55 55 ALA HB2 H 1 1.205 0.030 . 1 . . . A 487 ALA HB2 . 11563 1 608 . 1 1 55 55 ALA HB3 H 1 1.205 0.030 . 1 . . . A 487 ALA HB3 . 11563 1 609 . 1 1 55 55 ALA C C 13 173.012 0.300 . 1 . . . A 487 ALA C . 11563 1 610 . 1 1 55 55 ALA CA C 13 50.475 0.300 . 1 . . . A 487 ALA CA . 11563 1 611 . 1 1 55 55 ALA CB C 13 22.691 0.300 . 1 . . . A 487 ALA CB . 11563 1 612 . 1 1 55 55 ALA N N 15 119.367 0.300 . 1 . . . A 487 ALA N . 11563 1 613 . 1 1 56 56 PHE H H 1 9.232 0.030 . 1 . . . A 488 PHE H . 11563 1 614 . 1 1 56 56 PHE HA H 1 5.555 0.030 . 1 . . . A 488 PHE HA . 11563 1 615 . 1 1 56 56 PHE HB2 H 1 2.720 0.030 . 1 . . . A 488 PHE HB2 . 11563 1 616 . 1 1 56 56 PHE HB3 H 1 2.720 0.030 . 1 . . . A 488 PHE HB3 . 11563 1 617 . 1 1 56 56 PHE HD1 H 1 7.045 0.030 . 1 . . . A 488 PHE HD1 . 11563 1 618 . 1 1 56 56 PHE HD2 H 1 7.045 0.030 . 1 . . . A 488 PHE HD2 . 11563 1 619 . 1 1 56 56 PHE HE1 H 1 6.974 0.030 . 1 . . . A 488 PHE HE1 . 11563 1 620 . 1 1 56 56 PHE HE2 H 1 6.974 0.030 . 1 . . . A 488 PHE HE2 . 11563 1 621 . 1 1 56 56 PHE C C 13 174.538 0.300 . 1 . . . A 488 PHE C . 11563 1 622 . 1 1 56 56 PHE CA C 13 55.463 0.300 . 1 . . . A 488 PHE CA . 11563 1 623 . 1 1 56 56 PHE CB C 13 41.748 0.300 . 1 . . . A 488 PHE CB . 11563 1 624 . 1 1 56 56 PHE CD1 C 13 131.461 0.300 . 1 . . . A 488 PHE CD1 . 11563 1 625 . 1 1 56 56 PHE CD2 C 13 131.461 0.300 . 1 . . . A 488 PHE CD2 . 11563 1 626 . 1 1 56 56 PHE CE1 C 13 131.222 0.300 . 1 . . . A 488 PHE CE1 . 11563 1 627 . 1 1 56 56 PHE CE2 C 13 131.222 0.300 . 1 . . . A 488 PHE CE2 . 11563 1 628 . 1 1 56 56 PHE N N 15 114.912 0.300 . 1 . . . A 488 PHE N . 11563 1 629 . 1 1 57 57 LEU H H 1 9.458 0.030 . 1 . . . A 489 LEU H . 11563 1 630 . 1 1 57 57 LEU HA H 1 4.557 0.030 . 1 . . . A 489 LEU HA . 11563 1 631 . 1 1 57 57 LEU HB2 H 1 1.604 0.030 . 2 . . . A 489 LEU HB2 . 11563 1 632 . 1 1 57 57 LEU HB3 H 1 0.624 0.030 . 2 . . . A 489 LEU HB3 . 11563 1 633 . 1 1 57 57 LEU HG H 1 1.280 0.030 . 1 . . . A 489 LEU HG . 11563 1 634 . 1 1 57 57 LEU HD11 H 1 -0.244 0.030 . 1 . . . A 489 LEU HD11 . 11563 1 635 . 1 1 57 57 LEU HD12 H 1 -0.244 0.030 . 1 . . . A 489 LEU HD12 . 11563 1 636 . 1 1 57 57 LEU HD13 H 1 -0.244 0.030 . 1 . . . A 489 LEU HD13 . 11563 1 637 . 1 1 57 57 LEU HD21 H 1 0.222 0.030 . 1 . . . A 489 LEU HD21 . 11563 1 638 . 1 1 57 57 LEU HD22 H 1 0.222 0.030 . 1 . . . A 489 LEU HD22 . 11563 1 639 . 1 1 57 57 LEU HD23 H 1 0.222 0.030 . 1 . . . A 489 LEU HD23 . 11563 1 640 . 1 1 57 57 LEU C C 13 175.367 0.300 . 1 . . . A 489 LEU C . 11563 1 641 . 1 1 57 57 LEU CA C 13 52.623 0.300 . 1 . . . A 489 LEU CA . 11563 1 642 . 1 1 57 57 LEU CB C 13 41.850 0.300 . 1 . . . A 489 LEU CB . 11563 1 643 . 1 1 57 57 LEU CG C 13 26.317 0.300 . 1 . . . A 489 LEU CG . 11563 1 644 . 1 1 57 57 LEU CD1 C 13 24.544 0.300 . 2 . . . A 489 LEU CD1 . 11563 1 645 . 1 1 57 57 LEU CD2 C 13 21.749 0.300 . 2 . . . A 489 LEU CD2 . 11563 1 646 . 1 1 57 57 LEU N N 15 120.674 0.300 . 1 . . . A 489 LEU N . 11563 1 647 . 1 1 58 58 LEU H H 1 8.783 0.030 . 1 . . . A 490 LEU H . 11563 1 648 . 1 1 58 58 LEU HA H 1 4.906 0.030 . 1 . . . A 490 LEU HA . 11563 1 649 . 1 1 58 58 LEU HB2 H 1 1.495 0.030 . 1 . . . A 490 LEU HB2 . 11563 1 650 . 1 1 58 58 LEU HB3 H 1 1.495 0.030 . 1 . . . A 490 LEU HB3 . 11563 1 651 . 1 1 58 58 LEU HG H 1 1.372 0.030 . 1 . . . A 490 LEU HG . 11563 1 652 . 1 1 58 58 LEU HD11 H 1 0.751 0.030 . 1 . . . A 490 LEU HD11 . 11563 1 653 . 1 1 58 58 LEU HD12 H 1 0.751 0.030 . 1 . . . A 490 LEU HD12 . 11563 1 654 . 1 1 58 58 LEU HD13 H 1 0.751 0.030 . 1 . . . A 490 LEU HD13 . 11563 1 655 . 1 1 58 58 LEU HD21 H 1 0.741 0.030 . 1 . . . A 490 LEU HD21 . 11563 1 656 . 1 1 58 58 LEU HD22 H 1 0.741 0.030 . 1 . . . A 490 LEU HD22 . 11563 1 657 . 1 1 58 58 LEU HD23 H 1 0.741 0.030 . 1 . . . A 490 LEU HD23 . 11563 1 658 . 1 1 58 58 LEU C C 13 177.403 0.300 . 1 . . . A 490 LEU C . 11563 1 659 . 1 1 58 58 LEU CA C 13 53.464 0.300 . 1 . . . A 490 LEU CA . 11563 1 660 . 1 1 58 58 LEU CB C 13 41.100 0.300 . 1 . . . A 490 LEU CB . 11563 1 661 . 1 1 58 58 LEU CG C 13 27.646 0.300 . 1 . . . A 490 LEU CG . 11563 1 662 . 1 1 58 58 LEU CD1 C 13 24.987 0.300 . 2 . . . A 490 LEU CD1 . 11563 1 663 . 1 1 58 58 LEU CD2 C 13 25.068 0.300 . 2 . . . A 490 LEU CD2 . 11563 1 664 . 1 1 58 58 LEU N N 15 124.753 0.300 . 1 . . . A 490 LEU N . 11563 1 665 . 1 1 59 59 PHE H H 1 8.833 0.030 . 1 . . . A 491 PHE H . 11563 1 666 . 1 1 59 59 PHE HA H 1 4.735 0.030 . 1 . . . A 491 PHE HA . 11563 1 667 . 1 1 59 59 PHE HB2 H 1 3.469 0.030 . 2 . . . A 491 PHE HB2 . 11563 1 668 . 1 1 59 59 PHE HB3 H 1 2.788 0.030 . 2 . . . A 491 PHE HB3 . 11563 1 669 . 1 1 59 59 PHE HD1 H 1 7.216 0.030 . 1 . . . A 491 PHE HD1 . 11563 1 670 . 1 1 59 59 PHE HD2 H 1 7.216 0.030 . 1 . . . A 491 PHE HD2 . 11563 1 671 . 1 1 59 59 PHE HE1 H 1 7.252 0.030 . 1 . . . A 491 PHE HE1 . 11563 1 672 . 1 1 59 59 PHE HE2 H 1 7.252 0.030 . 1 . . . A 491 PHE HE2 . 11563 1 673 . 1 1 59 59 PHE HZ H 1 7.169 0.030 . 1 . . . A 491 PHE HZ . 11563 1 674 . 1 1 59 59 PHE C C 13 176.020 0.300 . 1 . . . A 491 PHE C . 11563 1 675 . 1 1 59 59 PHE CA C 13 59.032 0.300 . 1 . . . A 491 PHE CA . 11563 1 676 . 1 1 59 59 PHE CB C 13 39.998 0.300 . 1 . . . A 491 PHE CB . 11563 1 677 . 1 1 59 59 PHE CD1 C 13 132.734 0.300 . 1 . . . A 491 PHE CD1 . 11563 1 678 . 1 1 59 59 PHE CD2 C 13 132.734 0.300 . 1 . . . A 491 PHE CD2 . 11563 1 679 . 1 1 59 59 PHE CE1 C 13 131.359 0.300 . 1 . . . A 491 PHE CE1 . 11563 1 680 . 1 1 59 59 PHE CE2 C 13 131.359 0.300 . 1 . . . A 491 PHE CE2 . 11563 1 681 . 1 1 59 59 PHE CZ C 13 128.757 0.300 . 1 . . . A 491 PHE CZ . 11563 1 682 . 1 1 59 59 PHE N N 15 125.129 0.300 . 1 . . . A 491 PHE N . 11563 1 683 . 1 1 60 60 GLN H H 1 8.122 0.030 . 1 . . . A 492 GLN H . 11563 1 684 . 1 1 60 60 GLN HA H 1 4.114 0.030 . 1 . . . A 492 GLN HA . 11563 1 685 . 1 1 60 60 GLN HB2 H 1 2.179 0.030 . 2 . . . A 492 GLN HB2 . 11563 1 686 . 1 1 60 60 GLN HB3 H 1 2.098 0.030 . 2 . . . A 492 GLN HB3 . 11563 1 687 . 1 1 60 60 GLN HG2 H 1 2.400 0.030 . 1 . . . A 492 GLN HG2 . 11563 1 688 . 1 1 60 60 GLN HG3 H 1 2.400 0.030 . 1 . . . A 492 GLN HG3 . 11563 1 689 . 1 1 60 60 GLN HE21 H 1 7.832 0.030 . 2 . . . A 492 GLN HE21 . 11563 1 690 . 1 1 60 60 GLN HE22 H 1 6.872 0.030 . 2 . . . A 492 GLN HE22 . 11563 1 691 . 1 1 60 60 GLN C C 13 176.471 0.300 . 1 . . . A 492 GLN C . 11563 1 692 . 1 1 60 60 GLN CA C 13 58.645 0.300 . 1 . . . A 492 GLN CA . 11563 1 693 . 1 1 60 60 GLN CB C 13 30.228 0.300 . 1 . . . A 492 GLN CB . 11563 1 694 . 1 1 60 60 GLN CG C 13 34.373 0.300 . 1 . . . A 492 GLN CG . 11563 1 695 . 1 1 60 60 GLN N N 15 120.924 0.300 . 1 . . . A 492 GLN N . 11563 1 696 . 1 1 60 60 GLN NE2 N 15 111.958 0.300 . 1 . . . A 492 GLN NE2 . 11563 1 697 . 1 1 61 61 GLU H H 1 8.924 0.030 . 1 . . . A 493 GLU H . 11563 1 698 . 1 1 61 61 GLU HA H 1 4.795 0.030 . 1 . . . A 493 GLU HA . 11563 1 699 . 1 1 61 61 GLU HB2 H 1 2.314 0.030 . 2 . . . A 493 GLU HB2 . 11563 1 700 . 1 1 61 61 GLU HB3 H 1 2.047 0.030 . 2 . . . A 493 GLU HB3 . 11563 1 701 . 1 1 61 61 GLU HG2 H 1 2.402 0.030 . 2 . . . A 493 GLU HG2 . 11563 1 702 . 1 1 61 61 GLU HG3 H 1 2.304 0.030 . 2 . . . A 493 GLU HG3 . 11563 1 703 . 1 1 61 61 GLU C C 13 176.923 0.300 . 1 . . . A 493 GLU C . 11563 1 704 . 1 1 61 61 GLU CA C 13 54.346 0.300 . 1 . . . A 493 GLU CA . 11563 1 705 . 1 1 61 61 GLU CB C 13 32.044 0.300 . 1 . . . A 493 GLU CB . 11563 1 706 . 1 1 61 61 GLU CG C 13 35.782 0.300 . 1 . . . A 493 GLU CG . 11563 1 707 . 1 1 61 61 GLU N N 15 115.844 0.300 . 1 . . . A 493 GLU N . 11563 1 708 . 1 1 62 62 GLU H H 1 9.181 0.030 . 1 . . . A 494 GLU H . 11563 1 709 . 1 1 62 62 GLU HA H 1 3.950 0.030 . 1 . . . A 494 GLU HA . 11563 1 710 . 1 1 62 62 GLU HB2 H 1 2.072 0.030 . 1 . . . A 494 GLU HB2 . 11563 1 711 . 1 1 62 62 GLU HB3 H 1 2.072 0.030 . 1 . . . A 494 GLU HB3 . 11563 1 712 . 1 1 62 62 GLU HG2 H 1 2.328 0.030 . 1 . . . A 494 GLU HG2 . 11563 1 713 . 1 1 62 62 GLU HG3 H 1 2.328 0.030 . 1 . . . A 494 GLU HG3 . 11563 1 714 . 1 1 62 62 GLU C C 13 179.268 0.300 . 1 . . . A 494 GLU C . 11563 1 715 . 1 1 62 62 GLU CA C 13 59.725 0.300 . 1 . . . A 494 GLU CA . 11563 1 716 . 1 1 62 62 GLU CB C 13 29.499 0.300 . 1 . . . A 494 GLU CB . 11563 1 717 . 1 1 62 62 GLU CG C 13 36.612 0.300 . 1 . . . A 494 GLU CG . 11563 1 718 . 1 1 62 62 GLU N N 15 123.572 0.300 . 1 . . . A 494 GLU N . 11563 1 719 . 1 1 63 63 SER H H 1 8.757 0.030 . 1 . . . A 495 SER H . 11563 1 720 . 1 1 63 63 SER HA H 1 4.217 0.030 . 1 . . . A 495 SER HA . 11563 1 721 . 1 1 63 63 SER HB2 H 1 4.009 0.030 . 1 . . . A 495 SER HB2 . 11563 1 722 . 1 1 63 63 SER HB3 H 1 4.009 0.030 . 1 . . . A 495 SER HB3 . 11563 1 723 . 1 1 63 63 SER C C 13 177.207 0.300 . 1 . . . A 495 SER C . 11563 1 724 . 1 1 63 63 SER CA C 13 60.861 0.300 . 1 . . . A 495 SER CA . 11563 1 725 . 1 1 63 63 SER CB C 13 61.827 0.300 . 1 . . . A 495 SER CB . 11563 1 726 . 1 1 63 63 SER N N 15 114.799 0.300 . 1 . . . A 495 SER N . 11563 1 727 . 1 1 64 64 SER H H 1 7.457 0.030 . 1 . . . A 496 SER H . 11563 1 728 . 1 1 64 64 SER HA H 1 4.214 0.030 . 1 . . . A 496 SER HA . 11563 1 729 . 1 1 64 64 SER HB2 H 1 3.519 0.030 . 2 . . . A 496 SER HB2 . 11563 1 730 . 1 1 64 64 SER HB3 H 1 2.947 0.030 . 2 . . . A 496 SER HB3 . 11563 1 731 . 1 1 64 64 SER C C 13 174.165 0.300 . 1 . . . A 496 SER C . 11563 1 732 . 1 1 64 64 SER CA C 13 62.100 0.300 . 1 . . . A 496 SER CA . 11563 1 733 . 1 1 64 64 SER CB C 13 63.770 0.300 . 1 . . . A 496 SER CB . 11563 1 734 . 1 1 64 64 SER N N 15 119.594 0.300 . 1 . . . A 496 SER N . 11563 1 735 . 1 1 65 65 VAL H H 1 7.087 0.030 . 1 . . . A 497 VAL H . 11563 1 736 . 1 1 65 65 VAL HA H 1 2.954 0.030 . 1 . . . A 497 VAL HA . 11563 1 737 . 1 1 65 65 VAL HB H 1 2.244 0.030 . 1 . . . A 497 VAL HB . 11563 1 738 . 1 1 65 65 VAL HG11 H 1 0.937 0.030 . 1 . . . A 497 VAL HG11 . 11563 1 739 . 1 1 65 65 VAL HG12 H 1 0.937 0.030 . 1 . . . A 497 VAL HG12 . 11563 1 740 . 1 1 65 65 VAL HG13 H 1 0.937 0.030 . 1 . . . A 497 VAL HG13 . 11563 1 741 . 1 1 65 65 VAL HG21 H 1 0.806 0.030 . 1 . . . A 497 VAL HG21 . 11563 1 742 . 1 1 65 65 VAL HG22 H 1 0.806 0.030 . 1 . . . A 497 VAL HG22 . 11563 1 743 . 1 1 65 65 VAL HG23 H 1 0.806 0.030 . 1 . . . A 497 VAL HG23 . 11563 1 744 . 1 1 65 65 VAL C C 13 177.019 0.300 . 1 . . . A 497 VAL C . 11563 1 745 . 1 1 65 65 VAL CA C 13 66.501 0.300 . 1 . . . A 497 VAL CA . 11563 1 746 . 1 1 65 65 VAL CB C 13 31.066 0.300 . 1 . . . A 497 VAL CB . 11563 1 747 . 1 1 65 65 VAL CG1 C 13 23.601 0.300 . 2 . . . A 497 VAL CG1 . 11563 1 748 . 1 1 65 65 VAL CG2 C 13 21.021 0.300 . 2 . . . A 497 VAL CG2 . 11563 1 749 . 1 1 65 65 VAL N N 15 119.844 0.300 . 1 . . . A 497 VAL N . 11563 1 750 . 1 1 66 66 GLN H H 1 7.277 0.030 . 1 . . . A 498 GLN H . 11563 1 751 . 1 1 66 66 GLN HA H 1 3.794 0.030 . 1 . . . A 498 GLN HA . 11563 1 752 . 1 1 66 66 GLN HB2 H 1 2.134 0.030 . 2 . . . A 498 GLN HB2 . 11563 1 753 . 1 1 66 66 GLN HB3 H 1 2.061 0.030 . 2 . . . A 498 GLN HB3 . 11563 1 754 . 1 1 66 66 GLN HG2 H 1 2.382 0.030 . 1 . . . A 498 GLN HG2 . 11563 1 755 . 1 1 66 66 GLN HG3 H 1 2.382 0.030 . 1 . . . A 498 GLN HG3 . 11563 1 756 . 1 1 66 66 GLN HE21 H 1 7.875 0.030 . 2 . . . A 498 GLN HE21 . 11563 1 757 . 1 1 66 66 GLN HE22 H 1 6.865 0.030 . 2 . . . A 498 GLN HE22 . 11563 1 758 . 1 1 66 66 GLN C C 13 177.018 0.300 . 1 . . . A 498 GLN C . 11563 1 759 . 1 1 66 66 GLN CA C 13 58.225 0.300 . 1 . . . A 498 GLN CA . 11563 1 760 . 1 1 66 66 GLN CB C 13 28.130 0.300 . 1 . . . A 498 GLN CB . 11563 1 761 . 1 1 66 66 GLN CG C 13 33.623 0.300 . 1 . . . A 498 GLN CG . 11563 1 762 . 1 1 66 66 GLN N N 15 117.344 0.300 . 1 . . . A 498 GLN N . 11563 1 763 . 1 1 66 66 GLN NE2 N 15 115.628 0.300 . 1 . . . A 498 GLN NE2 . 11563 1 764 . 1 1 67 67 ALA H H 1 7.557 0.030 . 1 . . . A 499 ALA H . 11563 1 765 . 1 1 67 67 ALA HA H 1 4.154 0.030 . 1 . . . A 499 ALA HA . 11563 1 766 . 1 1 67 67 ALA HB1 H 1 1.709 0.030 . 1 . . . A 499 ALA HB1 . 11563 1 767 . 1 1 67 67 ALA HB2 H 1 1.709 0.030 . 1 . . . A 499 ALA HB2 . 11563 1 768 . 1 1 67 67 ALA HB3 H 1 1.709 0.030 . 1 . . . A 499 ALA HB3 . 11563 1 769 . 1 1 67 67 ALA C C 13 179.428 0.300 . 1 . . . A 499 ALA C . 11563 1 770 . 1 1 67 67 ALA CA C 13 55.111 0.300 . 1 . . . A 499 ALA CA . 11563 1 771 . 1 1 67 67 ALA CB C 13 18.408 0.300 . 1 . . . A 499 ALA CB . 11563 1 772 . 1 1 67 67 ALA N N 15 120.322 0.300 . 1 . . . A 499 ALA N . 11563 1 773 . 1 1 68 68 LEU H H 1 7.522 0.030 . 1 . . . A 500 LEU H . 11563 1 774 . 1 1 68 68 LEU HA H 1 2.826 0.030 . 1 . . . A 500 LEU HA . 11563 1 775 . 1 1 68 68 LEU HB2 H 1 1.728 0.030 . 2 . . . A 500 LEU HB2 . 11563 1 776 . 1 1 68 68 LEU HB3 H 1 0.633 0.030 . 2 . . . A 500 LEU HB3 . 11563 1 777 . 1 1 68 68 LEU HG H 1 1.131 0.030 . 1 . . . A 500 LEU HG . 11563 1 778 . 1 1 68 68 LEU HD11 H 1 0.783 0.030 . 1 . . . A 500 LEU HD11 . 11563 1 779 . 1 1 68 68 LEU HD12 H 1 0.783 0.030 . 1 . . . A 500 LEU HD12 . 11563 1 780 . 1 1 68 68 LEU HD13 H 1 0.783 0.030 . 1 . . . A 500 LEU HD13 . 11563 1 781 . 1 1 68 68 LEU HD21 H 1 0.700 0.030 . 1 . . . A 500 LEU HD21 . 11563 1 782 . 1 1 68 68 LEU HD22 H 1 0.700 0.030 . 1 . . . A 500 LEU HD22 . 11563 1 783 . 1 1 68 68 LEU HD23 H 1 0.700 0.030 . 1 . . . A 500 LEU HD23 . 11563 1 784 . 1 1 68 68 LEU C C 13 178.429 0.300 . 1 . . . A 500 LEU C . 11563 1 785 . 1 1 68 68 LEU CA C 13 57.736 0.300 . 1 . . . A 500 LEU CA . 11563 1 786 . 1 1 68 68 LEU CB C 13 40.873 0.300 . 1 . . . A 500 LEU CB . 11563 1 787 . 1 1 68 68 LEU CG C 13 27.487 0.300 . 1 . . . A 500 LEU CG . 11563 1 788 . 1 1 68 68 LEU CD1 C 13 27.760 0.300 . 2 . . . A 500 LEU CD1 . 11563 1 789 . 1 1 68 68 LEU CD2 C 13 25.487 0.300 . 2 . . . A 500 LEU CD2 . 11563 1 790 . 1 1 68 68 LEU N N 15 120.572 0.300 . 1 . . . A 500 LEU N . 11563 1 791 . 1 1 69 69 ILE H H 1 8.294 0.030 . 1 . . . A 501 ILE H . 11563 1 792 . 1 1 69 69 ILE HA H 1 3.617 0.030 . 1 . . . A 501 ILE HA . 11563 1 793 . 1 1 69 69 ILE HB H 1 1.885 0.030 . 1 . . . A 501 ILE HB . 11563 1 794 . 1 1 69 69 ILE HG12 H 1 1.571 0.030 . 2 . . . A 501 ILE HG12 . 11563 1 795 . 1 1 69 69 ILE HG13 H 1 0.999 0.030 . 2 . . . A 501 ILE HG13 . 11563 1 796 . 1 1 69 69 ILE HG21 H 1 0.872 0.030 . 1 . . . A 501 ILE HG21 . 11563 1 797 . 1 1 69 69 ILE HG22 H 1 0.872 0.030 . 1 . . . A 501 ILE HG22 . 11563 1 798 . 1 1 69 69 ILE HG23 H 1 0.872 0.030 . 1 . . . A 501 ILE HG23 . 11563 1 799 . 1 1 69 69 ILE HD11 H 1 0.705 0.030 . 1 . . . A 501 ILE HD11 . 11563 1 800 . 1 1 69 69 ILE HD12 H 1 0.705 0.030 . 1 . . . A 501 ILE HD12 . 11563 1 801 . 1 1 69 69 ILE HD13 H 1 0.705 0.030 . 1 . . . A 501 ILE HD13 . 11563 1 802 . 1 1 69 69 ILE C C 13 179.658 0.300 . 1 . . . A 501 ILE C . 11563 1 803 . 1 1 69 69 ILE CA C 13 65.736 0.300 . 1 . . . A 501 ILE CA . 11563 1 804 . 1 1 69 69 ILE CB C 13 37.487 0.300 . 1 . . . A 501 ILE CB . 11563 1 805 . 1 1 69 69 ILE CG1 C 13 28.601 0.300 . 1 . . . A 501 ILE CG1 . 11563 1 806 . 1 1 69 69 ILE CG2 C 13 16.980 0.300 . 1 . . . A 501 ILE CG2 . 11563 1 807 . 1 1 69 69 ILE CD1 C 13 13.340 0.300 . 1 . . . A 501 ILE CD1 . 11563 1 808 . 1 1 69 69 ILE N N 15 120.368 0.300 . 1 . . . A 501 ILE N . 11563 1 809 . 1 1 70 70 ASP H H 1 8.361 0.030 . 1 . . . A 502 ASP H . 11563 1 810 . 1 1 70 70 ASP HA H 1 4.418 0.030 . 1 . . . A 502 ASP HA . 11563 1 811 . 1 1 70 70 ASP HB2 H 1 2.816 0.030 . 2 . . . A 502 ASP HB2 . 11563 1 812 . 1 1 70 70 ASP HB3 H 1 2.712 0.030 . 2 . . . A 502 ASP HB3 . 11563 1 813 . 1 1 70 70 ASP C C 13 176.887 0.300 . 1 . . . A 502 ASP C . 11563 1 814 . 1 1 70 70 ASP CA C 13 56.808 0.300 . 1 . . . A 502 ASP CA . 11563 1 815 . 1 1 70 70 ASP CB C 13 40.669 0.300 . 1 . . . A 502 ASP CB . 11563 1 816 . 1 1 70 70 ASP N N 15 119.156 0.300 . 1 . . . A 502 ASP N . 11563 1 817 . 1 1 71 71 ALA H H 1 7.592 0.030 . 1 . . . A 503 ALA H . 11563 1 818 . 1 1 71 71 ALA HA H 1 4.497 0.030 . 1 . . . A 503 ALA HA . 11563 1 819 . 1 1 71 71 ALA HB1 H 1 1.784 0.030 . 1 . . . A 503 ALA HB1 . 11563 1 820 . 1 1 71 71 ALA HB2 H 1 1.784 0.030 . 1 . . . A 503 ALA HB2 . 11563 1 821 . 1 1 71 71 ALA HB3 H 1 1.784 0.030 . 1 . . . A 503 ALA HB3 . 11563 1 822 . 1 1 71 71 ALA C C 13 177.940 0.300 . 1 . . . A 503 ALA C . 11563 1 823 . 1 1 71 71 ALA CA C 13 52.479 0.300 . 1 . . . A 503 ALA CA . 11563 1 824 . 1 1 71 71 ALA CB C 13 20.328 0.300 . 1 . . . A 503 ALA CB . 11563 1 825 . 1 1 71 71 ALA N N 15 120.958 0.300 . 1 . . . A 503 ALA N . 11563 1 826 . 1 1 72 72 CYS H H 1 7.450 0.030 . 1 . . . A 504 CYS H . 11563 1 827 . 1 1 72 72 CYS HA H 1 4.558 0.030 . 1 . . . A 504 CYS HA . 11563 1 828 . 1 1 72 72 CYS HB2 H 1 3.244 0.030 . 2 . . . A 504 CYS HB2 . 11563 1 829 . 1 1 72 72 CYS HB3 H 1 2.751 0.030 . 2 . . . A 504 CYS HB3 . 11563 1 830 . 1 1 72 72 CYS C C 13 175.197 0.300 . 1 . . . A 504 CYS C . 11563 1 831 . 1 1 72 72 CYS CA C 13 61.793 0.300 . 1 . . . A 504 CYS CA . 11563 1 832 . 1 1 72 72 CYS CB C 13 30.127 0.300 . 1 . . . A 504 CYS CB . 11563 1 833 . 1 1 72 72 CYS N N 15 116.656 0.300 . 1 . . . A 504 CYS N . 11563 1 834 . 1 1 73 73 LEU H H 1 9.092 0.030 . 1 . . . A 505 LEU H . 11563 1 835 . 1 1 73 73 LEU HA H 1 4.612 0.030 . 1 . . . A 505 LEU HA . 11563 1 836 . 1 1 73 73 LEU HB2 H 1 1.633 0.030 . 1 . . . A 505 LEU HB2 . 11563 1 837 . 1 1 73 73 LEU HB3 H 1 1.633 0.030 . 1 . . . A 505 LEU HB3 . 11563 1 838 . 1 1 73 73 LEU HG H 1 1.737 0.030 . 1 . . . A 505 LEU HG . 11563 1 839 . 1 1 73 73 LEU HD11 H 1 0.941 0.030 . 1 . . . A 505 LEU HD11 . 11563 1 840 . 1 1 73 73 LEU HD12 H 1 0.941 0.030 . 1 . . . A 505 LEU HD12 . 11563 1 841 . 1 1 73 73 LEU HD13 H 1 0.941 0.030 . 1 . . . A 505 LEU HD13 . 11563 1 842 . 1 1 73 73 LEU HD21 H 1 0.889 0.030 . 1 . . . A 505 LEU HD21 . 11563 1 843 . 1 1 73 73 LEU HD22 H 1 0.889 0.030 . 1 . . . A 505 LEU HD22 . 11563 1 844 . 1 1 73 73 LEU HD23 H 1 0.889 0.030 . 1 . . . A 505 LEU HD23 . 11563 1 845 . 1 1 73 73 LEU C C 13 175.562 0.300 . 1 . . . A 505 LEU C . 11563 1 846 . 1 1 73 73 LEU CA C 13 54.282 0.300 . 1 . . . A 505 LEU CA . 11563 1 847 . 1 1 73 73 LEU CB C 13 43.634 0.300 . 1 . . . A 505 LEU CB . 11563 1 848 . 1 1 73 73 LEU CG C 13 27.237 0.300 . 1 . . . A 505 LEU CG . 11563 1 849 . 1 1 73 73 LEU CD1 C 13 24.885 0.300 . 2 . . . A 505 LEU CD1 . 11563 1 850 . 1 1 73 73 LEU CD2 C 13 24.612 0.300 . 2 . . . A 505 LEU CD2 . 11563 1 851 . 1 1 73 73 LEU N N 15 123.469 0.300 . 1 . . . A 505 LEU N . 11563 1 852 . 1 1 74 74 GLU H H 1 8.559 0.030 . 1 . . . A 506 GLU H . 11563 1 853 . 1 1 74 74 GLU HA H 1 5.483 0.030 . 1 . . . A 506 GLU HA . 11563 1 854 . 1 1 74 74 GLU HB2 H 1 2.058 0.030 . 2 . . . A 506 GLU HB2 . 11563 1 855 . 1 1 74 74 GLU HB3 H 1 1.824 0.030 . 2 . . . A 506 GLU HB3 . 11563 1 856 . 1 1 74 74 GLU HG2 H 1 2.167 0.030 . 2 . . . A 506 GLU HG2 . 11563 1 857 . 1 1 74 74 GLU HG3 H 1 2.026 0.030 . 2 . . . A 506 GLU HG3 . 11563 1 858 . 1 1 74 74 GLU C C 13 176.154 0.300 . 1 . . . A 506 GLU C . 11563 1 859 . 1 1 74 74 GLU CA C 13 54.884 0.300 . 1 . . . A 506 GLU CA . 11563 1 860 . 1 1 74 74 GLU CB C 13 31.760 0.300 . 1 . . . A 506 GLU CB . 11563 1 861 . 1 1 74 74 GLU CG C 13 36.362 0.300 . 1 . . . A 506 GLU CG . 11563 1 862 . 1 1 74 74 GLU N N 15 124.299 0.300 . 1 . . . A 506 GLU N . 11563 1 863 . 1 1 75 75 GLU H H 1 9.207 0.030 . 1 . . . A 507 GLU H . 11563 1 864 . 1 1 75 75 GLU HA H 1 4.560 0.030 . 1 . . . A 507 GLU HA . 11563 1 865 . 1 1 75 75 GLU HB2 H 1 2.025 0.030 . 2 . . . A 507 GLU HB2 . 11563 1 866 . 1 1 75 75 GLU HB3 H 1 1.945 0.030 . 2 . . . A 507 GLU HB3 . 11563 1 867 . 1 1 75 75 GLU HG2 H 1 2.178 0.030 . 2 . . . A 507 GLU HG2 . 11563 1 868 . 1 1 75 75 GLU HG3 H 1 2.018 0.030 . 2 . . . A 507 GLU HG3 . 11563 1 869 . 1 1 75 75 GLU C C 13 175.788 0.300 . 1 . . . A 507 GLU C . 11563 1 870 . 1 1 75 75 GLU CA C 13 56.316 0.300 . 1 . . . A 507 GLU CA . 11563 1 871 . 1 1 75 75 GLU CB C 13 32.737 0.300 . 1 . . . A 507 GLU CB . 11563 1 872 . 1 1 75 75 GLU CG C 13 36.362 0.300 . 1 . . . A 507 GLU CG . 11563 1 873 . 1 1 75 75 GLU N N 15 126.469 0.300 . 1 . . . A 507 GLU N . 11563 1 874 . 1 1 76 76 ASP H H 1 9.506 0.030 . 1 . . . A 508 ASP H . 11563 1 875 . 1 1 76 76 ASP HA H 1 4.359 0.030 . 1 . . . A 508 ASP HA . 11563 1 876 . 1 1 76 76 ASP HB2 H 1 3.058 0.030 . 2 . . . A 508 ASP HB2 . 11563 1 877 . 1 1 76 76 ASP HB3 H 1 2.592 0.030 . 2 . . . A 508 ASP HB3 . 11563 1 878 . 1 1 76 76 ASP C C 13 175.706 0.300 . 1 . . . A 508 ASP C . 11563 1 879 . 1 1 76 76 ASP CA C 13 55.373 0.300 . 1 . . . A 508 ASP CA . 11563 1 880 . 1 1 76 76 ASP CB C 13 40.248 0.300 . 1 . . . A 508 ASP CB . 11563 1 881 . 1 1 76 76 ASP N N 15 128.572 0.300 . 1 . . . A 508 ASP N . 11563 1 882 . 1 1 77 77 GLY H H 1 8.946 0.030 . 1 . . . A 509 GLY H . 11563 1 883 . 1 1 77 77 GLY HA2 H 1 4.137 0.030 . 2 . . . A 509 GLY HA2 . 11563 1 884 . 1 1 77 77 GLY HA3 H 1 3.725 0.030 . 2 . . . A 509 GLY HA3 . 11563 1 885 . 1 1 77 77 GLY C C 13 173.899 0.300 . 1 . . . A 509 GLY C . 11563 1 886 . 1 1 77 77 GLY CA C 13 45.680 0.300 . 1 . . . A 509 GLY CA . 11563 1 887 . 1 1 77 77 GLY N N 15 104.094 0.300 . 1 . . . A 509 GLY N . 11563 1 888 . 1 1 78 78 LYS H H 1 7.967 0.030 . 1 . . . A 510 LYS H . 11563 1 889 . 1 1 78 78 LYS HA H 1 4.557 0.030 . 1 . . . A 510 LYS HA . 11563 1 890 . 1 1 78 78 LYS HB2 H 1 1.973 0.030 . 2 . . . A 510 LYS HB2 . 11563 1 891 . 1 1 78 78 LYS HB3 H 1 1.505 0.030 . 2 . . . A 510 LYS HB3 . 11563 1 892 . 1 1 78 78 LYS HG2 H 1 1.440 0.030 . 2 . . . A 510 LYS HG2 . 11563 1 893 . 1 1 78 78 LYS HG3 H 1 1.386 0.030 . 2 . . . A 510 LYS HG3 . 11563 1 894 . 1 1 78 78 LYS HD2 H 1 1.694 0.030 . 1 . . . A 510 LYS HD2 . 11563 1 895 . 1 1 78 78 LYS HD3 H 1 1.694 0.030 . 1 . . . A 510 LYS HD3 . 11563 1 896 . 1 1 78 78 LYS HE2 H 1 3.089 0.030 . 1 . . . A 510 LYS HE2 . 11563 1 897 . 1 1 78 78 LYS HE3 H 1 3.089 0.030 . 1 . . . A 510 LYS HE3 . 11563 1 898 . 1 1 78 78 LYS C C 13 173.603 0.300 . 1 . . . A 510 LYS C . 11563 1 899 . 1 1 78 78 LYS CA C 13 54.960 0.300 . 1 . . . A 510 LYS CA . 11563 1 900 . 1 1 78 78 LYS CB C 13 35.407 0.300 . 1 . . . A 510 LYS CB . 11563 1 901 . 1 1 78 78 LYS CG C 13 25.576 0.300 . 1 . . . A 510 LYS CG . 11563 1 902 . 1 1 78 78 LYS CD C 13 29.101 0.300 . 1 . . . A 510 LYS CD . 11563 1 903 . 1 1 78 78 LYS CE C 13 42.362 0.300 . 1 . . . A 510 LYS CE . 11563 1 904 . 1 1 78 78 LYS N N 15 121.902 0.300 . 1 . . . A 510 LYS N . 11563 1 905 . 1 1 79 79 LEU H H 1 8.314 0.030 . 1 . . . A 511 LEU H . 11563 1 906 . 1 1 79 79 LEU HA H 1 5.211 0.030 . 1 . . . A 511 LEU HA . 11563 1 907 . 1 1 79 79 LEU HB2 H 1 2.382 0.030 . 2 . . . A 511 LEU HB2 . 11563 1 908 . 1 1 79 79 LEU HB3 H 1 1.251 0.030 . 2 . . . A 511 LEU HB3 . 11563 1 909 . 1 1 79 79 LEU HG H 1 1.701 0.030 . 1 . . . A 511 LEU HG . 11563 1 910 . 1 1 79 79 LEU HD11 H 1 0.909 0.030 . 1 . . . A 511 LEU HD11 . 11563 1 911 . 1 1 79 79 LEU HD12 H 1 0.909 0.030 . 1 . . . A 511 LEU HD12 . 11563 1 912 . 1 1 79 79 LEU HD13 H 1 0.909 0.030 . 1 . . . A 511 LEU HD13 . 11563 1 913 . 1 1 79 79 LEU HD21 H 1 0.817 0.030 . 1 . . . A 511 LEU HD21 . 11563 1 914 . 1 1 79 79 LEU HD22 H 1 0.817 0.030 . 1 . . . A 511 LEU HD22 . 11563 1 915 . 1 1 79 79 LEU HD23 H 1 0.817 0.030 . 1 . . . A 511 LEU HD23 . 11563 1 916 . 1 1 79 79 LEU C C 13 176.742 0.300 . 1 . . . A 511 LEU C . 11563 1 917 . 1 1 79 79 LEU CA C 13 53.600 0.300 . 1 . . . A 511 LEU CA . 11563 1 918 . 1 1 79 79 LEU CB C 13 43.713 0.300 . 1 . . . A 511 LEU CB . 11563 1 919 . 1 1 79 79 LEU CG C 13 27.078 0.300 . 1 . . . A 511 LEU CG . 11563 1 920 . 1 1 79 79 LEU CD1 C 13 26.056 0.300 . 2 . . . A 511 LEU CD1 . 11563 1 921 . 1 1 79 79 LEU CD2 C 13 23.157 0.300 . 2 . . . A 511 LEU CD2 . 11563 1 922 . 1 1 79 79 LEU N N 15 121.208 0.300 . 1 . . . A 511 LEU N . 11563 1 923 . 1 1 80 80 TYR H H 1 9.064 0.030 . 1 . . . A 512 TYR H . 11563 1 924 . 1 1 80 80 TYR HA H 1 5.835 0.030 . 1 . . . A 512 TYR HA . 11563 1 925 . 1 1 80 80 TYR HB2 H 1 2.888 0.030 . 2 . . . A 512 TYR HB2 . 11563 1 926 . 1 1 80 80 TYR HB3 H 1 2.724 0.030 . 2 . . . A 512 TYR HB3 . 11563 1 927 . 1 1 80 80 TYR HD1 H 1 6.891 0.030 . 1 . . . A 512 TYR HD1 . 11563 1 928 . 1 1 80 80 TYR HD2 H 1 6.891 0.030 . 1 . . . A 512 TYR HD2 . 11563 1 929 . 1 1 80 80 TYR HE1 H 1 6.820 0.030 . 1 . . . A 512 TYR HE1 . 11563 1 930 . 1 1 80 80 TYR HE2 H 1 6.820 0.030 . 1 . . . A 512 TYR HE2 . 11563 1 931 . 1 1 80 80 TYR C C 13 175.049 0.300 . 1 . . . A 512 TYR C . 11563 1 932 . 1 1 80 80 TYR CA C 13 56.918 0.300 . 1 . . . A 512 TYR CA . 11563 1 933 . 1 1 80 80 TYR CB C 13 43.503 0.300 . 1 . . . A 512 TYR CB . 11563 1 934 . 1 1 80 80 TYR CD1 C 13 133.438 0.300 . 1 . . . A 512 TYR CD1 . 11563 1 935 . 1 1 80 80 TYR CD2 C 13 133.438 0.300 . 1 . . . A 512 TYR CD2 . 11563 1 936 . 1 1 80 80 TYR CE1 C 13 118.012 0.300 . 1 . . . A 512 TYR CE1 . 11563 1 937 . 1 1 80 80 TYR CE2 C 13 118.012 0.300 . 1 . . . A 512 TYR CE2 . 11563 1 938 . 1 1 80 80 TYR N N 15 116.980 0.300 . 1 . . . A 512 TYR N . 11563 1 939 . 1 1 81 81 LEU H H 1 8.796 0.030 . 1 . . . A 513 LEU H . 11563 1 940 . 1 1 81 81 LEU HA H 1 4.840 0.030 . 1 . . . A 513 LEU HA . 11563 1 941 . 1 1 81 81 LEU HB2 H 1 1.777 0.030 . 2 . . . A 513 LEU HB2 . 11563 1 942 . 1 1 81 81 LEU HB3 H 1 1.715 0.030 . 2 . . . A 513 LEU HB3 . 11563 1 943 . 1 1 81 81 LEU HG H 1 1.889 0.030 . 1 . . . A 513 LEU HG . 11563 1 944 . 1 1 81 81 LEU HD11 H 1 0.913 0.030 . 1 . . . A 513 LEU HD11 . 11563 1 945 . 1 1 81 81 LEU HD12 H 1 0.913 0.030 . 1 . . . A 513 LEU HD12 . 11563 1 946 . 1 1 81 81 LEU HD13 H 1 0.913 0.030 . 1 . . . A 513 LEU HD13 . 11563 1 947 . 1 1 81 81 LEU HD21 H 1 1.077 0.030 . 1 . . . A 513 LEU HD21 . 11563 1 948 . 1 1 81 81 LEU HD22 H 1 1.077 0.030 . 1 . . . A 513 LEU HD22 . 11563 1 949 . 1 1 81 81 LEU HD23 H 1 1.077 0.030 . 1 . . . A 513 LEU HD23 . 11563 1 950 . 1 1 81 81 LEU C C 13 176.202 0.300 . 1 . . . A 513 LEU C . 11563 1 951 . 1 1 81 81 LEU CA C 13 53.885 0.300 . 1 . . . A 513 LEU CA . 11563 1 952 . 1 1 81 81 LEU CB C 13 46.609 0.300 . 1 . . . A 513 LEU CB . 11563 1 953 . 1 1 81 81 LEU CG C 13 27.476 0.300 . 1 . . . A 513 LEU CG . 11563 1 954 . 1 1 81 81 LEU CD1 C 13 26.451 0.300 . 2 . . . A 513 LEU CD1 . 11563 1 955 . 1 1 81 81 LEU CD2 C 13 25.123 0.300 . 2 . . . A 513 LEU CD2 . 11563 1 956 . 1 1 81 81 LEU N N 15 122.254 0.300 . 1 . . . A 513 LEU N . 11563 1 957 . 1 1 82 82 CYS H H 1 8.472 0.030 . 1 . . . A 514 CYS H . 11563 1 958 . 1 1 82 82 CYS HA H 1 5.204 0.030 . 1 . . . A 514 CYS HA . 11563 1 959 . 1 1 82 82 CYS HB2 H 1 2.760 0.030 . 2 . . . A 514 CYS HB2 . 11563 1 960 . 1 1 82 82 CYS HB3 H 1 2.409 0.030 . 2 . . . A 514 CYS HB3 . 11563 1 961 . 1 1 82 82 CYS C C 13 174.657 0.300 . 1 . . . A 514 CYS C . 11563 1 962 . 1 1 82 82 CYS CA C 13 59.519 0.300 . 1 . . . A 514 CYS CA . 11563 1 963 . 1 1 82 82 CYS CB C 13 28.703 0.300 . 1 . . . A 514 CYS CB . 11563 1 964 . 1 1 82 82 CYS N N 15 121.074 0.300 . 1 . . . A 514 CYS N . 11563 1 965 . 1 1 83 83 VAL H H 1 8.655 0.030 . 1 . . . A 515 VAL H . 11563 1 966 . 1 1 83 83 VAL HA H 1 4.511 0.030 . 1 . . . A 515 VAL HA . 11563 1 967 . 1 1 83 83 VAL HB H 1 2.038 0.030 . 1 . . . A 515 VAL HB . 11563 1 968 . 1 1 83 83 VAL HG11 H 1 0.813 0.030 . 1 . . . A 515 VAL HG11 . 11563 1 969 . 1 1 83 83 VAL HG12 H 1 0.813 0.030 . 1 . . . A 515 VAL HG12 . 11563 1 970 . 1 1 83 83 VAL HG13 H 1 0.813 0.030 . 1 . . . A 515 VAL HG13 . 11563 1 971 . 1 1 83 83 VAL HG21 H 1 0.780 0.030 . 1 . . . A 515 VAL HG21 . 11563 1 972 . 1 1 83 83 VAL HG22 H 1 0.780 0.030 . 1 . . . A 515 VAL HG22 . 11563 1 973 . 1 1 83 83 VAL HG23 H 1 0.780 0.030 . 1 . . . A 515 VAL HG23 . 11563 1 974 . 1 1 83 83 VAL C C 13 174.141 0.300 . 1 . . . A 515 VAL C . 11563 1 975 . 1 1 83 83 VAL CA C 13 60.235 0.300 . 1 . . . A 515 VAL CA . 11563 1 976 . 1 1 83 83 VAL CB C 13 35.476 0.300 . 1 . . . A 515 VAL CB . 11563 1 977 . 1 1 83 83 VAL CG1 C 13 21.601 0.300 . 2 . . . A 515 VAL CG1 . 11563 1 978 . 1 1 83 83 VAL CG2 C 13 20.294 0.300 . 2 . . . A 515 VAL CG2 . 11563 1 979 . 1 1 83 83 VAL N N 15 118.708 0.300 . 1 . . . A 515 VAL N . 11563 1 980 . 1 1 84 84 SER H H 1 8.389 0.030 . 1 . . . A 516 SER H . 11563 1 981 . 1 1 84 84 SER HA H 1 5.441 0.030 . 1 . . . A 516 SER HA . 11563 1 982 . 1 1 84 84 SER HB2 H 1 3.999 0.030 . 2 . . . A 516 SER HB2 . 11563 1 983 . 1 1 84 84 SER HB3 H 1 3.714 0.030 . 2 . . . A 516 SER HB3 . 11563 1 984 . 1 1 84 84 SER C C 13 171.981 0.300 . 1 . . . A 516 SER C . 11563 1 985 . 1 1 84 84 SER CA C 13 57.338 0.300 . 1 . . . A 516 SER CA . 11563 1 986 . 1 1 84 84 SER CB C 13 66.055 0.300 . 1 . . . A 516 SER CB . 11563 1 987 . 1 1 84 84 SER N N 15 116.447 0.300 . 1 . . . A 516 SER N . 11563 1 988 . 1 1 85 85 SER H H 1 9.444 0.030 . 1 . . . A 517 SER H . 11563 1 989 . 1 1 85 85 SER HA H 1 4.907 0.030 . 1 . . . A 517 SER HA . 11563 1 990 . 1 1 85 85 SER HB2 H 1 4.184 0.030 . 2 . . . A 517 SER HB2 . 11563 1 991 . 1 1 85 85 SER HB3 H 1 3.331 0.030 . 2 . . . A 517 SER HB3 . 11563 1 992 . 1 1 85 85 SER C C 13 172.729 0.300 . 1 . . . A 517 SER C . 11563 1 993 . 1 1 85 85 SER CA C 13 55.668 0.300 . 1 . . . A 517 SER CA . 11563 1 994 . 1 1 85 85 SER CB C 13 65.225 0.300 . 1 . . . A 517 SER CB . 11563 1 995 . 1 1 85 85 SER N N 15 122.930 0.300 . 1 . . . A 517 SER N . 11563 1 996 . 1 1 86 86 PRO HA H 1 4.302 0.030 . 1 . . . A 518 PRO HA . 11563 1 997 . 1 1 86 86 PRO HB2 H 1 1.890 0.030 . 2 . . . A 518 PRO HB2 . 11563 1 998 . 1 1 86 86 PRO HB3 H 1 2.461 0.030 . 2 . . . A 518 PRO HB3 . 11563 1 999 . 1 1 86 86 PRO HG2 H 1 2.253 0.030 . 2 . . . A 518 PRO HG2 . 11563 1 1000 . 1 1 86 86 PRO HG3 H 1 2.019 0.030 . 2 . . . A 518 PRO HG3 . 11563 1 1001 . 1 1 86 86 PRO HD2 H 1 3.931 0.030 . 2 . . . A 518 PRO HD2 . 11563 1 1002 . 1 1 86 86 PRO HD3 H 1 3.593 0.030 . 2 . . . A 518 PRO HD3 . 11563 1 1003 . 1 1 86 86 PRO C C 13 177.837 0.300 . 1 . . . A 518 PRO C . 11563 1 1004 . 1 1 86 86 PRO CA C 13 65.872 0.300 . 1 . . . A 518 PRO CA . 11563 1 1005 . 1 1 86 86 PRO CB C 13 32.351 0.300 . 1 . . . A 518 PRO CB . 11563 1 1006 . 1 1 86 86 PRO CG C 13 28.578 0.300 . 1 . . . A 518 PRO CG . 11563 1 1007 . 1 1 86 86 PRO CD C 13 51.248 0.300 . 1 . . . A 518 PRO CD . 11563 1 1008 . 1 1 87 87 THR H H 1 7.777 0.030 . 1 . . . A 519 THR H . 11563 1 1009 . 1 1 87 87 THR HA H 1 4.437 0.030 . 1 . . . A 519 THR HA . 11563 1 1010 . 1 1 87 87 THR HB H 1 4.125 0.030 . 1 . . . A 519 THR HB . 11563 1 1011 . 1 1 87 87 THR HG21 H 1 1.149 0.030 . 1 . . . A 519 THR HG21 . 11563 1 1012 . 1 1 87 87 THR HG22 H 1 1.149 0.030 . 1 . . . A 519 THR HG22 . 11563 1 1013 . 1 1 87 87 THR HG23 H 1 1.149 0.030 . 1 . . . A 519 THR HG23 . 11563 1 1014 . 1 1 87 87 THR C C 13 174.711 0.300 . 1 . . . A 519 THR C . 11563 1 1015 . 1 1 87 87 THR CA C 13 61.932 0.300 . 1 . . . A 519 THR CA . 11563 1 1016 . 1 1 87 87 THR CB C 13 70.724 0.300 . 1 . . . A 519 THR CB . 11563 1 1017 . 1 1 87 87 THR CG2 C 13 21.817 0.300 . 1 . . . A 519 THR CG2 . 11563 1 1018 . 1 1 87 87 THR N N 15 103.332 0.300 . 1 . . . A 519 THR N . 11563 1 1019 . 1 1 88 88 ILE H H 1 7.613 0.030 . 1 . . . A 520 ILE H . 11563 1 1020 . 1 1 88 88 ILE HA H 1 4.328 0.030 . 1 . . . A 520 ILE HA . 11563 1 1021 . 1 1 88 88 ILE HB H 1 1.884 0.030 . 1 . . . A 520 ILE HB . 11563 1 1022 . 1 1 88 88 ILE HG12 H 1 1.485 0.030 . 2 . . . A 520 ILE HG12 . 11563 1 1023 . 1 1 88 88 ILE HG13 H 1 1.124 0.030 . 2 . . . A 520 ILE HG13 . 11563 1 1024 . 1 1 88 88 ILE HG21 H 1 0.908 0.030 . 1 . . . A 520 ILE HG21 . 11563 1 1025 . 1 1 88 88 ILE HG22 H 1 0.908 0.030 . 1 . . . A 520 ILE HG22 . 11563 1 1026 . 1 1 88 88 ILE HG23 H 1 0.908 0.030 . 1 . . . A 520 ILE HG23 . 11563 1 1027 . 1 1 88 88 ILE HD11 H 1 0.815 0.030 . 1 . . . A 520 ILE HD11 . 11563 1 1028 . 1 1 88 88 ILE HD12 H 1 0.815 0.030 . 1 . . . A 520 ILE HD12 . 11563 1 1029 . 1 1 88 88 ILE HD13 H 1 0.815 0.030 . 1 . . . A 520 ILE HD13 . 11563 1 1030 . 1 1 88 88 ILE C C 13 173.294 0.300 . 1 . . . A 520 ILE C . 11563 1 1031 . 1 1 88 88 ILE CA C 13 60.431 0.300 . 1 . . . A 520 ILE CA . 11563 1 1032 . 1 1 88 88 ILE CB C 13 39.294 0.300 . 1 . . . A 520 ILE CB . 11563 1 1033 . 1 1 88 88 ILE CG1 C 13 27.113 0.300 . 1 . . . A 520 ILE CG1 . 11563 1 1034 . 1 1 88 88 ILE CG2 C 13 18.272 0.300 . 1 . . . A 520 ILE CG2 . 11563 1 1035 . 1 1 88 88 ILE CD1 C 13 12.943 0.300 . 1 . . . A 520 ILE CD1 . 11563 1 1036 . 1 1 88 88 ILE N N 15 124.844 0.300 . 1 . . . A 520 ILE N . 11563 1 1037 . 1 1 89 89 LYS H H 1 8.457 0.030 . 1 . . . A 521 LYS H . 11563 1 1038 . 1 1 89 89 LYS HA H 1 4.559 0.030 . 1 . . . A 521 LYS HA . 11563 1 1039 . 1 1 89 89 LYS HB2 H 1 1.729 0.030 . 1 . . . A 521 LYS HB2 . 11563 1 1040 . 1 1 89 89 LYS HB3 H 1 1.729 0.030 . 1 . . . A 521 LYS HB3 . 11563 1 1041 . 1 1 89 89 LYS HG2 H 1 1.410 0.030 . 2 . . . A 521 LYS HG2 . 11563 1 1042 . 1 1 89 89 LYS HG3 H 1 1.322 0.030 . 2 . . . A 521 LYS HG3 . 11563 1 1043 . 1 1 89 89 LYS HD2 H 1 1.615 0.030 . 1 . . . A 521 LYS HD2 . 11563 1 1044 . 1 1 89 89 LYS HD3 H 1 1.615 0.030 . 1 . . . A 521 LYS HD3 . 11563 1 1045 . 1 1 89 89 LYS HE2 H 1 2.970 0.030 . 2 . . . A 521 LYS HE2 . 11563 1 1046 . 1 1 89 89 LYS HE3 H 1 2.890 0.030 . 2 . . . A 521 LYS HE3 . 11563 1 1047 . 1 1 89 89 LYS C C 13 176.026 0.300 . 1 . . . A 521 LYS C . 11563 1 1048 . 1 1 89 89 LYS CA C 13 54.373 0.300 . 1 . . . A 521 LYS CA . 11563 1 1049 . 1 1 89 89 LYS CB C 13 33.078 0.300 . 1 . . . A 521 LYS CB . 11563 1 1050 . 1 1 89 89 LYS CG C 13 24.624 0.300 . 1 . . . A 521 LYS CG . 11563 1 1051 . 1 1 89 89 LYS CD C 13 28.753 0.300 . 1 . . . A 521 LYS CD . 11563 1 1052 . 1 1 89 89 LYS CE C 13 42.439 0.300 . 1 . . . A 521 LYS CE . 11563 1 1053 . 1 1 89 89 LYS N N 15 125.356 0.300 . 1 . . . A 521 LYS N . 11563 1 1054 . 1 1 90 90 ASP H H 1 8.849 0.030 . 1 . . . A 522 ASP H . 11563 1 1055 . 1 1 90 90 ASP HA H 1 3.921 0.030 . 1 . . . A 522 ASP HA . 11563 1 1056 . 1 1 90 90 ASP HB2 H 1 2.729 0.030 . 2 . . . A 522 ASP HB2 . 11563 1 1057 . 1 1 90 90 ASP HB3 H 1 2.652 0.030 . 2 . . . A 522 ASP HB3 . 11563 1 1058 . 1 1 90 90 ASP C C 13 174.326 0.300 . 1 . . . A 522 ASP C . 11563 1 1059 . 1 1 90 90 ASP CA C 13 55.294 0.300 . 1 . . . A 522 ASP CA . 11563 1 1060 . 1 1 90 90 ASP CB C 13 39.509 0.300 . 1 . . . A 522 ASP CB . 11563 1 1061 . 1 1 90 90 ASP N N 15 122.834 0.300 . 1 . . . A 522 ASP N . 11563 1 1062 . 1 1 91 91 LYS H H 1 8.691 0.030 . 1 . . . A 523 LYS H . 11563 1 1063 . 1 1 91 91 LYS HA H 1 4.631 0.030 . 1 . . . A 523 LYS HA . 11563 1 1064 . 1 1 91 91 LYS HB2 H 1 1.927 0.030 . 2 . . . A 523 LYS HB2 . 11563 1 1065 . 1 1 91 91 LYS HB3 H 1 1.658 0.030 . 2 . . . A 523 LYS HB3 . 11563 1 1066 . 1 1 91 91 LYS HG2 H 1 1.430 0.030 . 1 . . . A 523 LYS HG2 . 11563 1 1067 . 1 1 91 91 LYS HG3 H 1 1.430 0.030 . 1 . . . A 523 LYS HG3 . 11563 1 1068 . 1 1 91 91 LYS HD2 H 1 1.680 0.030 . 2 . . . A 523 LYS HD2 . 11563 1 1069 . 1 1 91 91 LYS HD3 H 1 1.593 0.030 . 2 . . . A 523 LYS HD3 . 11563 1 1070 . 1 1 91 91 LYS HE2 H 1 3.073 0.030 . 2 . . . A 523 LYS HE2 . 11563 1 1071 . 1 1 91 91 LYS HE3 H 1 3.008 0.030 . 2 . . . A 523 LYS HE3 . 11563 1 1072 . 1 1 91 91 LYS C C 13 175.013 0.300 . 1 . . . A 523 LYS C . 11563 1 1073 . 1 1 91 91 LYS CA C 13 53.679 0.300 . 1 . . . A 523 LYS CA . 11563 1 1074 . 1 1 91 91 LYS CB C 13 34.365 0.300 . 1 . . . A 523 LYS CB . 11563 1 1075 . 1 1 91 91 LYS CG C 13 24.724 0.300 . 1 . . . A 523 LYS CG . 11563 1 1076 . 1 1 91 91 LYS CD C 13 29.237 0.300 . 1 . . . A 523 LYS CD . 11563 1 1077 . 1 1 91 91 LYS CE C 13 42.849 0.300 . 1 . . . A 523 LYS CE . 11563 1 1078 . 1 1 91 91 LYS N N 15 122.402 0.300 . 1 . . . A 523 LYS N . 11563 1 1079 . 1 1 92 92 PRO HA H 1 4.832 0.030 . 1 . . . A 524 PRO HA . 11563 1 1080 . 1 1 92 92 PRO HB2 H 1 1.779 0.030 . 2 . . . A 524 PRO HB2 . 11563 1 1081 . 1 1 92 92 PRO HB3 H 1 2.004 0.030 . 2 . . . A 524 PRO HB3 . 11563 1 1082 . 1 1 92 92 PRO HG2 H 1 1.824 0.030 . 1 . . . A 524 PRO HG2 . 11563 1 1083 . 1 1 92 92 PRO HG3 H 1 1.824 0.030 . 1 . . . A 524 PRO HG3 . 11563 1 1084 . 1 1 92 92 PRO HD2 H 1 3.675 0.030 . 2 . . . A 524 PRO HD2 . 11563 1 1085 . 1 1 92 92 PRO HD3 H 1 4.249 0.030 . 2 . . . A 524 PRO HD3 . 11563 1 1086 . 1 1 92 92 PRO C C 13 176.661 0.300 . 1 . . . A 524 PRO C . 11563 1 1087 . 1 1 92 92 PRO CA C 13 62.883 0.300 . 1 . . . A 524 PRO CA . 11563 1 1088 . 1 1 92 92 PRO CB C 13 31.759 0.300 . 1 . . . A 524 PRO CB . 11563 1 1089 . 1 1 92 92 PRO CG C 13 27.988 0.300 . 1 . . . A 524 PRO CG . 11563 1 1090 . 1 1 92 92 PRO CD C 13 51.259 0.300 . 1 . . . A 524 PRO CD . 11563 1 1091 . 1 1 93 93 VAL H H 1 9.299 0.030 . 1 . . . A 525 VAL H . 11563 1 1092 . 1 1 93 93 VAL HA H 1 4.834 0.030 . 1 . . . A 525 VAL HA . 11563 1 1093 . 1 1 93 93 VAL HB H 1 2.459 0.030 . 1 . . . A 525 VAL HB . 11563 1 1094 . 1 1 93 93 VAL HG11 H 1 0.949 0.030 . 1 . . . A 525 VAL HG11 . 11563 1 1095 . 1 1 93 93 VAL HG12 H 1 0.949 0.030 . 1 . . . A 525 VAL HG12 . 11563 1 1096 . 1 1 93 93 VAL HG13 H 1 0.949 0.030 . 1 . . . A 525 VAL HG13 . 11563 1 1097 . 1 1 93 93 VAL HG21 H 1 1.042 0.030 . 1 . . . A 525 VAL HG21 . 11563 1 1098 . 1 1 93 93 VAL HG22 H 1 1.042 0.030 . 1 . . . A 525 VAL HG22 . 11563 1 1099 . 1 1 93 93 VAL HG23 H 1 1.042 0.030 . 1 . . . A 525 VAL HG23 . 11563 1 1100 . 1 1 93 93 VAL C C 13 174.558 0.300 . 1 . . . A 525 VAL C . 11563 1 1101 . 1 1 93 93 VAL CA C 13 59.782 0.300 . 1 . . . A 525 VAL CA . 11563 1 1102 . 1 1 93 93 VAL CB C 13 33.112 0.300 . 1 . . . A 525 VAL CB . 11563 1 1103 . 1 1 93 93 VAL CG1 C 13 22.635 0.300 . 2 . . . A 525 VAL CG1 . 11563 1 1104 . 1 1 93 93 VAL CG2 C 13 20.215 0.300 . 2 . . . A 525 VAL CG2 . 11563 1 1105 . 1 1 93 93 VAL N N 15 123.014 0.300 . 1 . . . A 525 VAL N . 11563 1 1106 . 1 1 94 94 GLN H H 1 8.613 0.030 . 1 . . . A 526 GLN H . 11563 1 1107 . 1 1 94 94 GLN HA H 1 4.634 0.030 . 1 . . . A 526 GLN HA . 11563 1 1108 . 1 1 94 94 GLN HB2 H 1 1.942 0.030 . 2 . . . A 526 GLN HB2 . 11563 1 1109 . 1 1 94 94 GLN HB3 H 1 1.894 0.030 . 2 . . . A 526 GLN HB3 . 11563 1 1110 . 1 1 94 94 GLN HG2 H 1 2.281 0.030 . 2 . . . A 526 GLN HG2 . 11563 1 1111 . 1 1 94 94 GLN HG3 H 1 2.139 0.030 . 2 . . . A 526 GLN HG3 . 11563 1 1112 . 1 1 94 94 GLN HE21 H 1 7.766 0.030 . 2 . . . A 526 GLN HE21 . 11563 1 1113 . 1 1 94 94 GLN HE22 H 1 7.119 0.030 . 2 . . . A 526 GLN HE22 . 11563 1 1114 . 1 1 94 94 GLN C C 13 175.014 0.300 . 1 . . . A 526 GLN C . 11563 1 1115 . 1 1 94 94 GLN CA C 13 55.054 0.300 . 1 . . . A 526 GLN CA . 11563 1 1116 . 1 1 94 94 GLN CB C 13 29.987 0.300 . 1 . . . A 526 GLN CB . 11563 1 1117 . 1 1 94 94 GLN CG C 13 34.385 0.300 . 1 . . . A 526 GLN CG . 11563 1 1118 . 1 1 94 94 GLN N N 15 123.788 0.300 . 1 . . . A 526 GLN N . 11563 1 1119 . 1 1 94 94 GLN NE2 N 15 110.708 0.300 . 1 . . . A 526 GLN NE2 . 11563 1 1120 . 1 1 95 95 ILE H H 1 8.436 0.030 . 1 . . . A 527 ILE H . 11563 1 1121 . 1 1 95 95 ILE HA H 1 4.980 0.030 . 1 . . . A 527 ILE HA . 11563 1 1122 . 1 1 95 95 ILE HB H 1 1.911 0.030 . 1 . . . A 527 ILE HB . 11563 1 1123 . 1 1 95 95 ILE HG12 H 1 1.697 0.030 . 2 . . . A 527 ILE HG12 . 11563 1 1124 . 1 1 95 95 ILE HG13 H 1 1.440 0.030 . 2 . . . A 527 ILE HG13 . 11563 1 1125 . 1 1 95 95 ILE HG21 H 1 0.663 0.030 . 1 . . . A 527 ILE HG21 . 11563 1 1126 . 1 1 95 95 ILE HG22 H 1 0.663 0.030 . 1 . . . A 527 ILE HG22 . 11563 1 1127 . 1 1 95 95 ILE HG23 H 1 0.663 0.030 . 1 . . . A 527 ILE HG23 . 11563 1 1128 . 1 1 95 95 ILE HD11 H 1 0.845 0.030 . 1 . . . A 527 ILE HD11 . 11563 1 1129 . 1 1 95 95 ILE HD12 H 1 0.845 0.030 . 1 . . . A 527 ILE HD12 . 11563 1 1130 . 1 1 95 95 ILE HD13 H 1 0.845 0.030 . 1 . . . A 527 ILE HD13 . 11563 1 1131 . 1 1 95 95 ILE C C 13 176.322 0.300 . 1 . . . A 527 ILE C . 11563 1 1132 . 1 1 95 95 ILE CA C 13 57.282 0.300 . 1 . . . A 527 ILE CA . 11563 1 1133 . 1 1 95 95 ILE CB C 13 38.385 0.300 . 1 . . . A 527 ILE CB . 11563 1 1134 . 1 1 95 95 ILE CG1 C 13 27.353 0.300 . 1 . . . A 527 ILE CG1 . 11563 1 1135 . 1 1 95 95 ILE CG2 C 13 17.612 0.300 . 1 . . . A 527 ILE CG2 . 11563 1 1136 . 1 1 95 95 ILE CD1 C 13 11.885 0.300 . 1 . . . A 527 ILE CD1 . 11563 1 1137 . 1 1 95 95 ILE N N 15 126.299 0.300 . 1 . . . A 527 ILE N . 11563 1 1138 . 1 1 96 96 ARG H H 1 9.243 0.030 . 1 . . . A 528 ARG H . 11563 1 1139 . 1 1 96 96 ARG HA H 1 5.090 0.030 . 1 . . . A 528 ARG HA . 11563 1 1140 . 1 1 96 96 ARG HB2 H 1 2.099 0.030 . 2 . . . A 528 ARG HB2 . 11563 1 1141 . 1 1 96 96 ARG HB3 H 1 1.816 0.030 . 2 . . . A 528 ARG HB3 . 11563 1 1142 . 1 1 96 96 ARG HG2 H 1 1.709 0.030 . 2 . . . A 528 ARG HG2 . 11563 1 1143 . 1 1 96 96 ARG HG3 H 1 1.630 0.030 . 2 . . . A 528 ARG HG3 . 11563 1 1144 . 1 1 96 96 ARG HD2 H 1 3.045 0.030 . 2 . . . A 528 ARG HD2 . 11563 1 1145 . 1 1 96 96 ARG HD3 H 1 2.951 0.030 . 2 . . . A 528 ARG HD3 . 11563 1 1146 . 1 1 96 96 ARG C C 13 173.365 0.300 . 1 . . . A 528 ARG C . 11563 1 1147 . 1 1 96 96 ARG CA C 13 53.100 0.300 . 1 . . . A 528 ARG CA . 11563 1 1148 . 1 1 96 96 ARG CB C 13 33.464 0.300 . 1 . . . A 528 ARG CB . 11563 1 1149 . 1 1 96 96 ARG CG C 13 27.078 0.300 . 1 . . . A 528 ARG CG . 11563 1 1150 . 1 1 96 96 ARG CD C 13 43.805 0.300 . 1 . . . A 528 ARG CD . 11563 1 1151 . 1 1 96 96 ARG N N 15 124.662 0.300 . 1 . . . A 528 ARG N . 11563 1 1152 . 1 1 97 97 PRO HA H 1 4.639 0.030 . 1 . . . A 529 PRO HA . 11563 1 1153 . 1 1 97 97 PRO HB2 H 1 1.957 0.030 . 2 . . . A 529 PRO HB2 . 11563 1 1154 . 1 1 97 97 PRO HB3 H 1 2.262 0.030 . 2 . . . A 529 PRO HB3 . 11563 1 1155 . 1 1 97 97 PRO HG2 H 1 2.111 0.030 . 2 . . . A 529 PRO HG2 . 11563 1 1156 . 1 1 97 97 PRO HG3 H 1 1.677 0.030 . 2 . . . A 529 PRO HG3 . 11563 1 1157 . 1 1 97 97 PRO HD2 H 1 3.826 0.030 . 2 . . . A 529 PRO HD2 . 11563 1 1158 . 1 1 97 97 PRO HD3 H 1 3.594 0.030 . 2 . . . A 529 PRO HD3 . 11563 1 1159 . 1 1 97 97 PRO C C 13 175.483 0.300 . 1 . . . A 529 PRO C . 11563 1 1160 . 1 1 97 97 PRO CA C 13 63.614 0.300 . 1 . . . A 529 PRO CA . 11563 1 1161 . 1 1 97 97 PRO CB C 13 31.959 0.300 . 1 . . . A 529 PRO CB . 11563 1 1162 . 1 1 97 97 PRO CG C 13 27.839 0.300 . 1 . . . A 529 PRO CG . 11563 1 1163 . 1 1 97 97 PRO CD C 13 51.009 0.300 . 1 . . . A 529 PRO CD . 11563 1 1164 . 1 1 98 98 TRP H H 1 8.735 0.030 . 1 . . . A 530 TRP H . 11563 1 1165 . 1 1 98 98 TRP HA H 1 4.665 0.030 . 1 . . . A 530 TRP HA . 11563 1 1166 . 1 1 98 98 TRP HB2 H 1 3.306 0.030 . 2 . . . A 530 TRP HB2 . 11563 1 1167 . 1 1 98 98 TRP HB3 H 1 3.115 0.030 . 2 . . . A 530 TRP HB3 . 11563 1 1168 . 1 1 98 98 TRP HD1 H 1 7.062 0.030 . 1 . . . A 530 TRP HD1 . 11563 1 1169 . 1 1 98 98 TRP HE1 H 1 9.871 0.030 . 1 . . . A 530 TRP HE1 . 11563 1 1170 . 1 1 98 98 TRP HE3 H 1 7.438 0.030 . 1 . . . A 530 TRP HE3 . 11563 1 1171 . 1 1 98 98 TRP HZ2 H 1 7.331 0.030 . 1 . . . A 530 TRP HZ2 . 11563 1 1172 . 1 1 98 98 TRP HZ3 H 1 6.749 0.030 . 1 . . . A 530 TRP HZ3 . 11563 1 1173 . 1 1 98 98 TRP HH2 H 1 6.923 0.030 . 1 . . . A 530 TRP HH2 . 11563 1 1174 . 1 1 98 98 TRP C C 13 175.371 0.300 . 1 . . . A 530 TRP C . 11563 1 1175 . 1 1 98 98 TRP CA C 13 57.634 0.300 . 1 . . . A 530 TRP CA . 11563 1 1176 . 1 1 98 98 TRP CB C 13 31.022 0.300 . 1 . . . A 530 TRP CB . 11563 1 1177 . 1 1 98 98 TRP CD1 C 13 126.813 0.300 . 1 . . . A 530 TRP CD1 . 11563 1 1178 . 1 1 98 98 TRP CE3 C 13 120.374 0.300 . 1 . . . A 530 TRP CE3 . 11563 1 1179 . 1 1 98 98 TRP CZ2 C 13 114.806 0.300 . 1 . . . A 530 TRP CZ2 . 11563 1 1180 . 1 1 98 98 TRP CZ3 C 13 121.731 0.300 . 1 . . . A 530 TRP CZ3 . 11563 1 1181 . 1 1 98 98 TRP CH2 C 13 124.498 0.300 . 1 . . . A 530 TRP CH2 . 11563 1 1182 . 1 1 98 98 TRP N N 15 125.560 0.300 . 1 . . . A 530 TRP N . 11563 1 1183 . 1 1 98 98 TRP NE1 N 15 129.071 0.300 . 1 . . . A 530 TRP NE1 . 11563 1 1184 . 1 1 99 99 ASN H H 1 8.212 0.030 . 1 . . . A 531 ASN H . 11563 1 1185 . 1 1 99 99 ASN HA H 1 4.674 0.030 . 1 . . . A 531 ASN HA . 11563 1 1186 . 1 1 99 99 ASN HB2 H 1 2.686 0.030 . 2 . . . A 531 ASN HB2 . 11563 1 1187 . 1 1 99 99 ASN HB3 H 1 2.657 0.030 . 2 . . . A 531 ASN HB3 . 11563 1 1188 . 1 1 99 99 ASN HD21 H 1 7.543 0.030 . 2 . . . A 531 ASN HD21 . 11563 1 1189 . 1 1 99 99 ASN HD22 H 1 6.842 0.030 . 2 . . . A 531 ASN HD22 . 11563 1 1190 . 1 1 99 99 ASN C C 13 174.667 0.300 . 1 . . . A 531 ASN C . 11563 1 1191 . 1 1 99 99 ASN CA C 13 52.770 0.300 . 1 . . . A 531 ASN CA . 11563 1 1192 . 1 1 99 99 ASN CB C 13 39.365 0.300 . 1 . . . A 531 ASN CB . 11563 1 1193 . 1 1 99 99 ASN N N 15 122.935 0.300 . 1 . . . A 531 ASN N . 11563 1 1194 . 1 1 99 99 ASN ND2 N 15 112.833 0.300 . 1 . . . A 531 ASN ND2 . 11563 1 1195 . 1 1 100 100 LEU H H 1 7.833 0.030 . 1 . . . A 532 LEU H . 11563 1 1196 . 1 1 100 100 LEU HA H 1 4.122 0.030 . 1 . . . A 532 LEU HA . 11563 1 1197 . 1 1 100 100 LEU HB2 H 1 1.557 0.030 . 2 . . . A 532 LEU HB2 . 11563 1 1198 . 1 1 100 100 LEU HB3 H 1 1.491 0.030 . 2 . . . A 532 LEU HB3 . 11563 1 1199 . 1 1 100 100 LEU HG H 1 1.491 0.030 . 1 . . . A 532 LEU HG . 11563 1 1200 . 1 1 100 100 LEU HD11 H 1 0.810 0.030 . 1 . . . A 532 LEU HD11 . 11563 1 1201 . 1 1 100 100 LEU HD12 H 1 0.810 0.030 . 1 . . . A 532 LEU HD12 . 11563 1 1202 . 1 1 100 100 LEU HD13 H 1 0.810 0.030 . 1 . . . A 532 LEU HD13 . 11563 1 1203 . 1 1 100 100 LEU HD21 H 1 0.786 0.030 . 1 . . . A 532 LEU HD21 . 11563 1 1204 . 1 1 100 100 LEU HD22 H 1 0.786 0.030 . 1 . . . A 532 LEU HD22 . 11563 1 1205 . 1 1 100 100 LEU HD23 H 1 0.786 0.030 . 1 . . . A 532 LEU HD23 . 11563 1 1206 . 1 1 100 100 LEU C C 13 177.505 0.300 . 1 . . . A 532 LEU C . 11563 1 1207 . 1 1 100 100 LEU CA C 13 56.009 0.300 . 1 . . . A 532 LEU CA . 11563 1 1208 . 1 1 100 100 LEU CB C 13 42.191 0.300 . 1 . . . A 532 LEU CB . 11563 1 1209 . 1 1 100 100 LEU CG C 13 27.112 0.300 . 1 . . . A 532 LEU CG . 11563 1 1210 . 1 1 100 100 LEU CD1 C 13 24.987 0.300 . 2 . . . A 532 LEU CD1 . 11563 1 1211 . 1 1 100 100 LEU CD2 C 13 23.680 0.300 . 2 . . . A 532 LEU CD2 . 11563 1 1212 . 1 1 100 100 LEU N N 15 121.336 0.300 . 1 . . . A 532 LEU N . 11563 1 1213 . 1 1 101 101 SER H H 1 8.208 0.030 . 1 . . . A 533 SER H . 11563 1 1214 . 1 1 101 101 SER HA H 1 4.371 0.030 . 1 . . . A 533 SER HA . 11563 1 1215 . 1 1 101 101 SER HB2 H 1 3.877 0.030 . 2 . . . A 533 SER HB2 . 11563 1 1216 . 1 1 101 101 SER HB3 H 1 3.805 0.030 . 2 . . . A 533 SER HB3 . 11563 1 1217 . 1 1 101 101 SER C C 13 174.615 0.300 . 1 . . . A 533 SER C . 11563 1 1218 . 1 1 101 101 SER CA C 13 58.992 0.300 . 1 . . . A 533 SER CA . 11563 1 1219 . 1 1 101 101 SER CB C 13 63.850 0.300 . 1 . . . A 533 SER CB . 11563 1 1220 . 1 1 101 101 SER N N 15 114.378 0.300 . 1 . . . A 533 SER N . 11563 1 1221 . 1 1 102 102 ASP H H 1 8.090 0.030 . 1 . . . A 534 ASP H . 11563 1 1222 . 1 1 102 102 ASP HA H 1 4.534 0.030 . 1 . . . A 534 ASP HA . 11563 1 1223 . 1 1 102 102 ASP HB2 H 1 2.500 0.030 . 2 . . . A 534 ASP HB2 . 11563 1 1224 . 1 1 102 102 ASP HB3 H 1 2.436 0.030 . 2 . . . A 534 ASP HB3 . 11563 1 1225 . 1 1 102 102 ASP C C 13 176.577 0.300 . 1 . . . A 534 ASP C . 11563 1 1226 . 1 1 102 102 ASP CA C 13 55.089 0.300 . 1 . . . A 534 ASP CA . 11563 1 1227 . 1 1 102 102 ASP CB C 13 40.850 0.300 . 1 . . . A 534 ASP CB . 11563 1 1228 . 1 1 102 102 ASP N N 15 122.481 0.300 . 1 . . . A 534 ASP N . 11563 1 1229 . 1 1 103 103 SER H H 1 8.138 0.030 . 1 . . . A 535 SER H . 11563 1 1230 . 1 1 103 103 SER HA H 1 4.360 0.030 . 1 . . . A 535 SER HA . 11563 1 1231 . 1 1 103 103 SER HB2 H 1 3.792 0.030 . 1 . . . A 535 SER HB2 . 11563 1 1232 . 1 1 103 103 SER HB3 H 1 3.792 0.030 . 1 . . . A 535 SER HB3 . 11563 1 1233 . 1 1 103 103 SER C C 13 174.319 0.300 . 1 . . . A 535 SER C . 11563 1 1234 . 1 1 103 103 SER CA C 13 58.793 0.300 . 1 . . . A 535 SER CA . 11563 1 1235 . 1 1 103 103 SER CB C 13 63.775 0.300 . 1 . . . A 535 SER CB . 11563 1 1236 . 1 1 103 103 SER N N 15 115.185 0.300 . 1 . . . A 535 SER N . 11563 1 1237 . 1 1 104 104 ASP H H 1 8.198 0.030 . 1 . . . A 536 ASP H . 11563 1 1238 . 1 1 104 104 ASP HA H 1 4.569 0.030 . 1 . . . A 536 ASP HA . 11563 1 1239 . 1 1 104 104 ASP HB2 H 1 2.561 0.030 . 2 . . . A 536 ASP HB2 . 11563 1 1240 . 1 1 104 104 ASP HB3 H 1 2.508 0.030 . 2 . . . A 536 ASP HB3 . 11563 1 1241 . 1 1 104 104 ASP C C 13 175.722 0.300 . 1 . . . A 536 ASP C . 11563 1 1242 . 1 1 104 104 ASP CA C 13 54.861 0.300 . 1 . . . A 536 ASP CA . 11563 1 1243 . 1 1 104 104 ASP CB C 13 41.102 0.300 . 1 . . . A 536 ASP CB . 11563 1 1244 . 1 1 104 104 ASP N N 15 121.537 0.300 . 1 . . . A 536 ASP N . 11563 1 1245 . 1 1 105 105 PHE H H 1 7.931 0.030 . 1 . . . A 537 PHE H . 11563 1 1246 . 1 1 105 105 PHE HA H 1 4.505 0.030 . 1 . . . A 537 PHE HA . 11563 1 1247 . 1 1 105 105 PHE HB2 H 1 3.008 0.030 . 2 . . . A 537 PHE HB2 . 11563 1 1248 . 1 1 105 105 PHE HB3 H 1 2.928 0.030 . 2 . . . A 537 PHE HB3 . 11563 1 1249 . 1 1 105 105 PHE HD1 H 1 7.077 0.030 . 1 . . . A 537 PHE HD1 . 11563 1 1250 . 1 1 105 105 PHE HD2 H 1 7.077 0.030 . 1 . . . A 537 PHE HD2 . 11563 1 1251 . 1 1 105 105 PHE HE1 H 1 7.174 0.030 . 1 . . . A 537 PHE HE1 . 11563 1 1252 . 1 1 105 105 PHE HE2 H 1 7.174 0.030 . 1 . . . A 537 PHE HE2 . 11563 1 1253 . 1 1 105 105 PHE C C 13 175.206 0.300 . 1 . . . A 537 PHE C . 11563 1 1254 . 1 1 105 105 PHE CA C 13 57.963 0.300 . 1 . . . A 537 PHE CA . 11563 1 1255 . 1 1 105 105 PHE CB C 13 39.509 0.300 . 1 . . . A 537 PHE CB . 11563 1 1256 . 1 1 105 105 PHE CD1 C 13 131.711 0.300 . 1 . . . A 537 PHE CD1 . 11563 1 1257 . 1 1 105 105 PHE CD2 C 13 131.711 0.300 . 1 . . . A 537 PHE CD2 . 11563 1 1258 . 1 1 105 105 PHE CE1 C 13 131.301 0.300 . 1 . . . A 537 PHE CE1 . 11563 1 1259 . 1 1 105 105 PHE CE2 C 13 131.301 0.300 . 1 . . . A 537 PHE CE2 . 11563 1 1260 . 1 1 105 105 PHE N N 15 119.663 0.300 . 1 . . . A 537 PHE N . 11563 1 1261 . 1 1 106 106 VAL H H 1 7.816 0.030 . 1 . . . A 538 VAL H . 11563 1 1262 . 1 1 106 106 VAL HA H 1 3.992 0.030 . 1 . . . A 538 VAL HA . 11563 1 1263 . 1 1 106 106 VAL HB H 1 1.952 0.030 . 1 . . . A 538 VAL HB . 11563 1 1264 . 1 1 106 106 VAL HG11 H 1 0.851 0.030 . 1 . . . A 538 VAL HG11 . 11563 1 1265 . 1 1 106 106 VAL HG12 H 1 0.851 0.030 . 1 . . . A 538 VAL HG12 . 11563 1 1266 . 1 1 106 106 VAL HG13 H 1 0.851 0.030 . 1 . . . A 538 VAL HG13 . 11563 1 1267 . 1 1 106 106 VAL HG21 H 1 0.858 0.030 . 1 . . . A 538 VAL HG21 . 11563 1 1268 . 1 1 106 106 VAL HG22 H 1 0.858 0.030 . 1 . . . A 538 VAL HG22 . 11563 1 1269 . 1 1 106 106 VAL HG23 H 1 0.858 0.030 . 1 . . . A 538 VAL HG23 . 11563 1 1270 . 1 1 106 106 VAL C C 13 175.613 0.300 . 1 . . . A 538 VAL C . 11563 1 1271 . 1 1 106 106 VAL CA C 13 62.327 0.300 . 1 . . . A 538 VAL CA . 11563 1 1272 . 1 1 106 106 VAL CB C 13 32.885 0.300 . 1 . . . A 538 VAL CB . 11563 1 1273 . 1 1 106 106 VAL CG1 C 13 21.227 0.300 . 2 . . . A 538 VAL CG1 . 11563 1 1274 . 1 1 106 106 VAL CG2 C 13 20.805 0.300 . 2 . . . A 538 VAL CG2 . 11563 1 1275 . 1 1 106 106 VAL N N 15 122.287 0.300 . 1 . . . A 538 VAL N . 11563 1 1276 . 1 1 107 107 MET H H 1 8.302 0.030 . 1 . . . A 539 MET H . 11563 1 1277 . 1 1 107 107 MET HA H 1 4.370 0.030 . 1 . . . A 539 MET HA . 11563 1 1278 . 1 1 107 107 MET HB2 H 1 2.038 0.030 . 2 . . . A 539 MET HB2 . 11563 1 1279 . 1 1 107 107 MET HB3 H 1 1.955 0.030 . 2 . . . A 539 MET HB3 . 11563 1 1280 . 1 1 107 107 MET HG2 H 1 2.528 0.030 . 2 . . . A 539 MET HG2 . 11563 1 1281 . 1 1 107 107 MET HG3 H 1 2.467 0.030 . 2 . . . A 539 MET HG3 . 11563 1 1282 . 1 1 107 107 MET HE1 H 1 2.034 0.030 . 1 . . . A 539 MET HE1 . 11563 1 1283 . 1 1 107 107 MET HE2 H 1 2.034 0.030 . 1 . . . A 539 MET HE2 . 11563 1 1284 . 1 1 107 107 MET HE3 H 1 2.034 0.030 . 1 . . . A 539 MET HE3 . 11563 1 1285 . 1 1 107 107 MET C C 13 175.689 0.300 . 1 . . . A 539 MET C . 11563 1 1286 . 1 1 107 107 MET CA C 13 55.554 0.300 . 1 . . . A 539 MET CA . 11563 1 1287 . 1 1 107 107 MET CB C 13 33.063 0.300 . 1 . . . A 539 MET CB . 11563 1 1288 . 1 1 107 107 MET CG C 13 32.146 0.300 . 1 . . . A 539 MET CG . 11563 1 1289 . 1 1 107 107 MET CE C 13 17.092 0.300 . 1 . . . A 539 MET CE . 11563 1 1290 . 1 1 107 107 MET N N 15 123.810 0.300 . 1 . . . A 539 MET N . 11563 1 1291 . 1 1 108 108 ASP H H 1 8.298 0.030 . 1 . . . A 540 ASP H . 11563 1 1292 . 1 1 108 108 ASP HA H 1 4.647 0.030 . 1 . . . A 540 ASP HA . 11563 1 1293 . 1 1 108 108 ASP HB2 H 1 2.733 0.030 . 2 . . . A 540 ASP HB2 . 11563 1 1294 . 1 1 108 108 ASP HB3 H 1 2.662 0.030 . 2 . . . A 540 ASP HB3 . 11563 1 1295 . 1 1 108 108 ASP C C 13 175.998 0.300 . 1 . . . A 540 ASP C . 11563 1 1296 . 1 1 108 108 ASP CA C 13 54.429 0.300 . 1 . . . A 540 ASP CA . 11563 1 1297 . 1 1 108 108 ASP CB C 13 41.424 0.300 . 1 . . . A 540 ASP CB . 11563 1 1298 . 1 1 108 108 ASP N N 15 121.594 0.300 . 1 . . . A 540 ASP N . 11563 1 1299 . 1 1 109 109 SER H H 1 8.286 0.030 . 1 . . . A 541 SER H . 11563 1 1300 . 1 1 109 109 SER HA H 1 4.440 0.030 . 1 . . . A 541 SER HA . 11563 1 1301 . 1 1 109 109 SER HB2 H 1 3.854 0.030 . 2 . . . A 541 SER HB2 . 11563 1 1302 . 1 1 109 109 SER C C 13 174.644 0.300 . 1 . . . A 541 SER C . 11563 1 1303 . 1 1 109 109 SER CA C 13 58.343 0.300 . 1 . . . A 541 SER CA . 11563 1 1304 . 1 1 109 109 SER CB C 13 63.896 0.300 . 1 . . . A 541 SER CB . 11563 1 1305 . 1 1 109 109 SER N N 15 116.178 0.300 . 1 . . . A 541 SER N . 11563 1 1306 . 1 1 110 110 GLY H H 1 8.316 0.030 . 1 . . . A 542 GLY H . 11563 1 1307 . 1 1 110 110 GLY HA2 H 1 4.110 0.030 . 1 . . . A 542 GLY HA2 . 11563 1 1308 . 1 1 110 110 GLY HA3 H 1 4.110 0.030 . 1 . . . A 542 GLY HA3 . 11563 1 1309 . 1 1 110 110 GLY C C 13 171.820 0.300 . 1 . . . A 542 GLY C . 11563 1 1310 . 1 1 110 110 GLY CA C 13 44.759 0.300 . 1 . . . A 542 GLY CA . 11563 1 1311 . 1 1 110 110 GLY N N 15 110.708 0.300 . 1 . . . A 542 GLY N . 11563 1 1312 . 1 1 111 111 PRO HA H 1 4.480 0.030 . 1 . . . A 543 PRO HA . 11563 1 1313 . 1 1 111 111 PRO HB2 H 1 1.977 0.030 . 2 . . . A 543 PRO HB2 . 11563 1 1314 . 1 1 111 111 PRO HB3 H 1 2.278 0.030 . 2 . . . A 543 PRO HB3 . 11563 1 1315 . 1 1 111 111 PRO HG2 H 1 2.003 0.030 . 1 . . . A 543 PRO HG2 . 11563 1 1316 . 1 1 111 111 PRO HG3 H 1 2.003 0.030 . 1 . . . A 543 PRO HG3 . 11563 1 1317 . 1 1 111 111 PRO HD2 H 1 3.622 0.030 . 2 . . . A 543 PRO HD2 . 11563 1 1318 . 1 1 111 111 PRO HD3 H 1 3.587 0.030 . 2 . . . A 543 PRO HD3 . 11563 1 1319 . 1 1 111 111 PRO C C 13 177.351 0.300 . 1 . . . A 543 PRO C . 11563 1 1320 . 1 1 111 111 PRO CA C 13 63.281 0.300 . 1 . . . A 543 PRO CA . 11563 1 1321 . 1 1 111 111 PRO CB C 13 32.193 0.300 . 1 . . . A 543 PRO CB . 11563 1 1322 . 1 1 111 111 PRO CG C 13 27.294 0.300 . 1 . . . A 543 PRO CG . 11563 1 1323 . 1 1 111 111 PRO CD C 13 49.793 0.300 . 1 . . . A 543 PRO CD . 11563 1 1324 . 1 1 112 112 SER H H 1 8.518 0.030 . 1 . . . A 544 SER H . 11563 1 1325 . 1 1 112 112 SER HA H 1 4.454 0.030 . 1 . . . A 544 SER HA . 11563 1 1326 . 1 1 112 112 SER HB2 H 1 3.868 0.030 . 2 . . . A 544 SER HB2 . 11563 1 1327 . 1 1 112 112 SER C C 13 174.657 0.300 . 1 . . . A 544 SER C . 11563 1 1328 . 1 1 112 112 SER CA C 13 58.302 0.300 . 1 . . . A 544 SER CA . 11563 1 1329 . 1 1 112 112 SER CB C 13 63.855 0.300 . 1 . . . A 544 SER CB . 11563 1 1330 . 1 1 112 112 SER N N 15 116.392 0.300 . 1 . . . A 544 SER N . 11563 1 1331 . 1 1 113 113 SER H H 1 8.321 0.030 . 1 . . . A 545 SER H . 11563 1 1332 . 1 1 113 113 SER HA H 1 4.454 0.030 . 1 . . . A 545 SER HA . 11563 1 1333 . 1 1 113 113 SER HB2 H 1 3.849 0.030 . 2 . . . A 545 SER HB2 . 11563 1 1334 . 1 1 113 113 SER C C 13 173.899 0.300 . 1 . . . A 545 SER C . 11563 1 1335 . 1 1 113 113 SER CA C 13 58.343 0.300 . 1 . . . A 545 SER CA . 11563 1 1336 . 1 1 113 113 SER CB C 13 63.977 0.300 . 1 . . . A 545 SER CB . 11563 1 1337 . 1 1 113 113 SER N N 15 117.851 0.300 . 1 . . . A 545 SER N . 11563 1 1338 . 1 1 114 114 GLY H H 1 8.043 0.030 . 1 . . . A 546 GLY H . 11563 1 1339 . 1 1 114 114 GLY C C 13 178.959 0.300 . 1 . . . A 546 GLY C . 11563 1 1340 . 1 1 114 114 GLY CA C 13 46.101 0.300 . 1 . . . A 546 GLY CA . 11563 1 1341 . 1 1 114 114 GLY N N 15 116.829 0.300 . 1 . . . A 546 GLY N . 11563 1 stop_ save_