data_34643 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34643 _Entry.Title ; Solution structure of the human SF3A1 ubiquitin-like domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-29 _Entry.Accession_date 2021-06-29 _Entry.Last_release_date 2021-07-07 _Entry.Original_release_date 2021-07-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 T. 'de Vries' T. . . . 34643 2 S. Campagne S. . . . 34643 3 F. Allain F. H.T. . . 34643 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SF3A . 34643 SPLICING . 34643 Spliceosome . 34643 'U2 snRNP' . 34643 'ubiqutin-like domain' . 34643 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34643 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 34643 '15N chemical shifts' 99 34643 '1H chemical shifts' 684 34643 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-09 2021-06-29 update BMRB 'update entry citation' 34643 1 . . 2022-02-04 2021-06-29 original author 'original release' 34643 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7P08 'BMRB Entry Tracking System' 34643 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34643 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35101980 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 119 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e2114092119 _Citation.Page_last e2114092119 _Citation.Year 2022 _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 T. 'de Vries' T. . . . 34643 1 2 W. Martelly W. . . . 34643 1 3 S. Campagne S. . . . 34643 1 4 K. Sabath K. . . . 34643 1 5 C. Sarnowski C. P. . . 34643 1 6 J. Wong J. . . . 34643 1 7 A. Leitner A. . . . 34643 1 8 S. Jonas S. . . . 34643 1 9 S. Sharma S. . . . 34643 1 10 F. Allain F. . . . 34643 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34643 _Assembly.ID 1 _Assembly.Name 'Isoform 2 of Splicing factor 3A subunit 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34643 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34643 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSPVSIKVQVPNMQDKTEW KLNGQVLVFTLPLTDQVSVI KVKIHEATGMPAGKQKLQYE GIFIKDSNSLAYYNMANGAV IHLALKERGGRKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10238.928 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SAP 114' common 34643 1 SF3a120 common 34643 1 'Spliceosome-associated protein 114' common 34643 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 701 GLY . 34643 1 2 702 GLY . 34643 1 3 703 SER . 34643 1 4 704 PRO . 34643 1 5 705 VAL . 34643 1 6 706 SER . 34643 1 7 707 ILE . 34643 1 8 708 LYS . 34643 1 9 709 VAL . 34643 1 10 710 GLN . 34643 1 11 711 VAL . 34643 1 12 712 PRO . 34643 1 13 713 ASN . 34643 1 14 714 MET . 34643 1 15 715 GLN . 34643 1 16 716 ASP . 34643 1 17 717 LYS . 34643 1 18 718 THR . 34643 1 19 719 GLU . 34643 1 20 720 TRP . 34643 1 21 721 LYS . 34643 1 22 722 LEU . 34643 1 23 723 ASN . 34643 1 24 724 GLY . 34643 1 25 725 GLN . 34643 1 26 726 VAL . 34643 1 27 727 LEU . 34643 1 28 728 VAL . 34643 1 29 729 PHE . 34643 1 30 730 THR . 34643 1 31 731 LEU . 34643 1 32 732 PRO . 34643 1 33 733 LEU . 34643 1 34 734 THR . 34643 1 35 735 ASP . 34643 1 36 736 GLN . 34643 1 37 737 VAL . 34643 1 38 738 SER . 34643 1 39 739 VAL . 34643 1 40 740 ILE . 34643 1 41 741 LYS . 34643 1 42 742 VAL . 34643 1 43 743 LYS . 34643 1 44 744 ILE . 34643 1 45 745 HIS . 34643 1 46 746 GLU . 34643 1 47 747 ALA . 34643 1 48 748 THR . 34643 1 49 749 GLY . 34643 1 50 750 MET . 34643 1 51 751 PRO . 34643 1 52 752 ALA . 34643 1 53 753 GLY . 34643 1 54 754 LYS . 34643 1 55 755 GLN . 34643 1 56 756 LYS . 34643 1 57 757 LEU . 34643 1 58 758 GLN . 34643 1 59 759 TYR . 34643 1 60 760 GLU . 34643 1 61 761 GLY . 34643 1 62 762 ILE . 34643 1 63 763 PHE . 34643 1 64 764 ILE . 34643 1 65 765 LYS . 34643 1 66 766 ASP . 34643 1 67 767 SER . 34643 1 68 768 ASN . 34643 1 69 769 SER . 34643 1 70 770 LEU . 34643 1 71 771 ALA . 34643 1 72 772 TYR . 34643 1 73 773 TYR . 34643 1 74 774 ASN . 34643 1 75 775 MET . 34643 1 76 776 ALA . 34643 1 77 777 ASN . 34643 1 78 778 GLY . 34643 1 79 779 ALA . 34643 1 80 780 VAL . 34643 1 81 781 ILE . 34643 1 82 782 HIS . 34643 1 83 783 LEU . 34643 1 84 784 ALA . 34643 1 85 785 LEU . 34643 1 86 786 LYS . 34643 1 87 787 GLU . 34643 1 88 788 ARG . 34643 1 89 789 GLY . 34643 1 90 790 GLY . 34643 1 91 791 ARG . 34643 1 92 792 LYS . 34643 1 93 793 LYS . 34643 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 34643 1 . GLY 2 2 34643 1 . SER 3 3 34643 1 . PRO 4 4 34643 1 . VAL 5 5 34643 1 . SER 6 6 34643 1 . ILE 7 7 34643 1 . LYS 8 8 34643 1 . VAL 9 9 34643 1 . GLN 10 10 34643 1 . VAL 11 11 34643 1 . PRO 12 12 34643 1 . ASN 13 13 34643 1 . MET 14 14 34643 1 . GLN 15 15 34643 1 . ASP 16 16 34643 1 . LYS 17 17 34643 1 . THR 18 18 34643 1 . GLU 19 19 34643 1 . TRP 20 20 34643 1 . LYS 21 21 34643 1 . LEU 22 22 34643 1 . ASN 23 23 34643 1 . GLY 24 24 34643 1 . GLN 25 25 34643 1 . VAL 26 26 34643 1 . LEU 27 27 34643 1 . VAL 28 28 34643 1 . PHE 29 29 34643 1 . THR 30 30 34643 1 . LEU 31 31 34643 1 . PRO 32 32 34643 1 . LEU 33 33 34643 1 . THR 34 34 34643 1 . ASP 35 35 34643 1 . GLN 36 36 34643 1 . VAL 37 37 34643 1 . SER 38 38 34643 1 . VAL 39 39 34643 1 . ILE 40 40 34643 1 . LYS 41 41 34643 1 . VAL 42 42 34643 1 . LYS 43 43 34643 1 . ILE 44 44 34643 1 . HIS 45 45 34643 1 . GLU 46 46 34643 1 . ALA 47 47 34643 1 . THR 48 48 34643 1 . GLY 49 49 34643 1 . MET 50 50 34643 1 . PRO 51 51 34643 1 . ALA 52 52 34643 1 . GLY 53 53 34643 1 . LYS 54 54 34643 1 . GLN 55 55 34643 1 . LYS 56 56 34643 1 . LEU 57 57 34643 1 . GLN 58 58 34643 1 . TYR 59 59 34643 1 . GLU 60 60 34643 1 . GLY 61 61 34643 1 . ILE 62 62 34643 1 . PHE 63 63 34643 1 . ILE 64 64 34643 1 . LYS 65 65 34643 1 . ASP 66 66 34643 1 . SER 67 67 34643 1 . ASN 68 68 34643 1 . SER 69 69 34643 1 . LEU 70 70 34643 1 . ALA 71 71 34643 1 . TYR 72 72 34643 1 . TYR 73 73 34643 1 . ASN 74 74 34643 1 . MET 75 75 34643 1 . ALA 76 76 34643 1 . ASN 77 77 34643 1 . GLY 78 78 34643 1 . ALA 79 79 34643 1 . VAL 80 80 34643 1 . ILE 81 81 34643 1 . HIS 82 82 34643 1 . LEU 83 83 34643 1 . ALA 84 84 34643 1 . LEU 85 85 34643 1 . LYS 86 86 34643 1 . GLU 87 87 34643 1 . ARG 88 88 34643 1 . GLY 89 89 34643 1 . GLY 90 90 34643 1 . ARG 91 91 34643 1 . LYS 92 92 34643 1 . LYS 93 93 34643 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 34643 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SF3A1, SAP114' . 34643 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 34643 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli 'BL21 Codon+' . . . . . pET24b . . . 34643 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34643 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.0 mM [U-13C; U-15N] SF3A1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SF3A1 '[U-13C; U-15N]' . . 1 $entity_1 . . 2.0 . . mM 0.1 . . . 34643 1 2 'Sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34643 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34643 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34643 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.1 mM [U-100% 15N] SF3A1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SF3A1 '[U-100% 15N]' . . 1 $entity_1 . . 1.1 . . mM 0.1 . . . 34643 2 2 'Sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34643 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34643 2 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 34643 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 34643 1 pH 6.0 . pH 34643 1 pressure 1 . atm 34643 1 temperature 303 . K 34643 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34643 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34643 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34643 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34643 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34643 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34643 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34643 _Software.ID 3 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34643 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34643 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34643 _Software.ID 4 _Software.Type . _Software.Name ATNOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34643 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34643 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34643 _Software.ID 5 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34643 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34643 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34643 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34643 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34643 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34643 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 900 . . . 34643 1 2 NMR_spectrometer_2 Bruker AVIII . 700 . . . 34643 1 3 NMR_spectrometer_3 Bruker 'AVANCE NEO' . 600 . . . 34643 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 34643 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34643 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34643 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34643 1 4 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34643 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34643 1 6 '3D 15N-1H HSQC NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34643 1 7 '3D 13Cali-1H HSQC NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34643 1 8 '3D 13Caro-1H HSQC NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34643 1 9 '{1H}-15N heteronuclear NOE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34643 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34643 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34643 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34643 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34643 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34643 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 34643 1 2 '3D CBCA(CO)NH' . . . 34643 1 3 '3D HNCO' . . . 34643 1 4 '3D H(CCO)NH' . . . 34643 1 5 '3D H(CCO)NH' . . . 34643 1 6 '3D 15N-1H HSQC NOESY' . . . 34643 1 7 '3D 13Cali-1H HSQC NOESY' . . . 34643 1 8 '3D 13Caro-1H HSQC NOESY' . . . 34643 1 9 '{1H}-15N heteronuclear NOE' . . . 34643 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY HA2 H 1 4.110 0.020 . 2 . . . . A 702 GLY HA2 . 34643 1 2 . 1 . 1 2 2 GLY HA3 H 1 3.929 0.020 . 2 . . . . A 702 GLY HA3 . 34643 1 3 . 1 . 1 2 2 GLY C C 13 173.438 0.3 . 1 . . . . A 702 GLY C . 34643 1 4 . 1 . 1 2 2 GLY CA C 13 44.870 0.3 . 1 . . . . A 702 GLY CA . 34643 1 5 . 1 . 1 3 3 SER H H 1 8.372 0.020 . 1 . . . . A 703 SER H . 34643 1 6 . 1 . 1 3 3 SER HA H 1 4.095 0.020 . 1 . . . . A 703 SER HA . 34643 1 7 . 1 . 1 3 3 SER HB2 H 1 3.915 0.020 . 2 . . . . A 703 SER HB2 . 34643 1 8 . 1 . 1 3 3 SER HB3 H 1 3.766 0.020 . 2 . . . . A 703 SER HB3 . 34643 1 9 . 1 . 1 3 3 SER CA C 13 57.238 0.3 . 1 . . . . A 703 SER CA . 34643 1 10 . 1 . 1 3 3 SER CB C 13 63.112 0.3 . 1 . . . . A 703 SER CB . 34643 1 11 . 1 . 1 3 3 SER N N 15 117.502 0.3 . 1 . . . . A 703 SER N . 34643 1 12 . 1 . 1 4 4 PRO HA H 1 4.524 0.020 . 1 . . . . A 704 PRO HA . 34643 1 13 . 1 . 1 4 4 PRO HB2 H 1 1.880 0.020 . 2 . . . . A 704 PRO HB2 . 34643 1 14 . 1 . 1 4 4 PRO HB3 H 1 1.618 0.020 . 2 . . . . A 704 PRO HB3 . 34643 1 15 . 1 . 1 4 4 PRO HG2 H 1 1.876 0.020 . 1 . . . . A 704 PRO HG2 . 34643 1 16 . 1 . 1 4 4 PRO HG3 H 1 1.876 0.020 . 1 . . . . A 704 PRO HG3 . 34643 1 17 . 1 . 1 4 4 PRO HD2 H 1 3.782 0.020 . 2 . . . . A 704 PRO HD2 . 34643 1 18 . 1 . 1 4 4 PRO HD3 H 1 3.653 0.020 . 2 . . . . A 704 PRO HD3 . 34643 1 19 . 1 . 1 4 4 PRO C C 13 176.004 0.3 . 1 . . . . A 704 PRO C . 34643 1 20 . 1 . 1 4 4 PRO CA C 13 62.760 0.3 . 1 . . . . A 704 PRO CA . 34643 1 21 . 1 . 1 4 4 PRO CB C 13 32.457 0.3 . 1 . . . . A 704 PRO CB . 34643 1 22 . 1 . 1 4 4 PRO CG C 13 26.998 0.3 . 1 . . . . A 704 PRO CG . 34643 1 23 . 1 . 1 4 4 PRO CD C 13 50.435 0.3 . 1 . . . . A 704 PRO CD . 34643 1 24 . 1 . 1 5 5 VAL H H 1 8.762 0.020 . 1 . . . . A 705 VAL H . 34643 1 25 . 1 . 1 5 5 VAL HA H 1 4.681 0.020 . 1 . . . . A 705 VAL HA . 34643 1 26 . 1 . 1 5 5 VAL HB H 1 1.791 0.020 . 1 . . . . A 705 VAL HB . 34643 1 27 . 1 . 1 5 5 VAL HG11 H 1 0.821 0.020 . 2 . . . . A 705 VAL HG11 . 34643 1 28 . 1 . 1 5 5 VAL HG12 H 1 0.821 0.020 . 2 . . . . A 705 VAL HG12 . 34643 1 29 . 1 . 1 5 5 VAL HG13 H 1 0.821 0.020 . 2 . . . . A 705 VAL HG13 . 34643 1 30 . 1 . 1 5 5 VAL HG21 H 1 0.704 0.020 . 2 . . . . A 705 VAL HG21 . 34643 1 31 . 1 . 1 5 5 VAL HG22 H 1 0.704 0.020 . 2 . . . . A 705 VAL HG22 . 34643 1 32 . 1 . 1 5 5 VAL HG23 H 1 0.704 0.020 . 2 . . . . A 705 VAL HG23 . 34643 1 33 . 1 . 1 5 5 VAL C C 13 173.788 0.3 . 1 . . . . A 705 VAL C . 34643 1 34 . 1 . 1 5 5 VAL CA C 13 59.270 0.3 . 1 . . . . A 705 VAL CA . 34643 1 35 . 1 . 1 5 5 VAL CB C 13 35.155 0.3 . 1 . . . . A 705 VAL CB . 34643 1 36 . 1 . 1 5 5 VAL CG1 C 13 21.492 0.3 . 1 . . . . A 705 VAL CG1 . 34643 1 37 . 1 . 1 5 5 VAL CG2 C 13 19.259 0.3 . 1 . . . . A 705 VAL CG2 . 34643 1 38 . 1 . 1 5 5 VAL N N 15 117.340 0.3 . 1 . . . . A 705 VAL N . 34643 1 39 . 1 . 1 6 6 SER H H 1 8.481 0.020 . 1 . . . . A 706 SER H . 34643 1 40 . 1 . 1 6 6 SER HA H 1 5.290 0.020 . 1 . . . . A 706 SER HA . 34643 1 41 . 1 . 1 6 6 SER HB2 H 1 3.619 0.020 . 2 . . . . A 706 SER HB2 . 34643 1 42 . 1 . 1 6 6 SER HB3 H 1 3.575 0.020 . 2 . . . . A 706 SER HB3 . 34643 1 43 . 1 . 1 6 6 SER CA C 13 57.051 0.3 . 1 . . . . A 706 SER CA . 34643 1 44 . 1 . 1 6 6 SER CB C 13 63.487 0.3 . 1 . . . . A 706 SER CB . 34643 1 45 . 1 . 1 6 6 SER N N 15 118.088 0.3 . 1 . . . . A 706 SER N . 34643 1 46 . 1 . 1 7 7 ILE H H 1 9.056 0.020 . 1 . . . . A 707 ILE H . 34643 1 47 . 1 . 1 7 7 ILE HA H 1 4.699 0.020 . 1 . . . . A 707 ILE HA . 34643 1 48 . 1 . 1 7 7 ILE HB H 1 1.788 0.020 . 1 . . . . A 707 ILE HB . 34643 1 49 . 1 . 1 7 7 ILE HG12 H 1 1.307 0.020 . 2 . . . . A 707 ILE HG12 . 34643 1 50 . 1 . 1 7 7 ILE HG13 H 1 1.148 0.020 . 2 . . . . A 707 ILE HG13 . 34643 1 51 . 1 . 1 7 7 ILE HG21 H 1 0.745 0.020 . 1 . . . . A 707 ILE HG21 . 34643 1 52 . 1 . 1 7 7 ILE HG22 H 1 0.745 0.020 . 1 . . . . A 707 ILE HG22 . 34643 1 53 . 1 . 1 7 7 ILE HG23 H 1 0.745 0.020 . 1 . . . . A 707 ILE HG23 . 34643 1 54 . 1 . 1 7 7 ILE HD11 H 1 0.711 0.020 . 1 . . . . A 707 ILE HD11 . 34643 1 55 . 1 . 1 7 7 ILE HD12 H 1 0.711 0.020 . 1 . . . . A 707 ILE HD12 . 34643 1 56 . 1 . 1 7 7 ILE HD13 H 1 0.711 0.020 . 1 . . . . A 707 ILE HD13 . 34643 1 57 . 1 . 1 7 7 ILE C C 13 173.661 0.3 . 1 . . . . A 707 ILE C . 34643 1 58 . 1 . 1 7 7 ILE CA C 13 58.488 0.3 . 1 . . . . A 707 ILE CA . 34643 1 59 . 1 . 1 7 7 ILE CB C 13 40.497 0.3 . 1 . . . . A 707 ILE CB . 34643 1 60 . 1 . 1 7 7 ILE CG1 C 13 26.331 0.3 . 1 . . . . A 707 ILE CG1 . 34643 1 61 . 1 . 1 7 7 ILE CG2 C 13 18.560 0.3 . 1 . . . . A 707 ILE CG2 . 34643 1 62 . 1 . 1 7 7 ILE CD1 C 13 13.817 0.3 . 1 . . . . A 707 ILE CD1 . 34643 1 63 . 1 . 1 7 7 ILE N N 15 123.238 0.3 . 1 . . . . A 707 ILE N . 34643 1 64 . 1 . 1 8 8 LYS H H 1 8.886 0.020 . 1 . . . . A 708 LYS H . 34643 1 65 . 1 . 1 8 8 LYS HA H 1 5.198 0.020 . 1 . . . . A 708 LYS HA . 34643 1 66 . 1 . 1 8 8 LYS HB2 H 1 1.666 0.020 . 2 . . . . A 708 LYS HB2 . 34643 1 67 . 1 . 1 8 8 LYS HB3 H 1 1.399 0.020 . 2 . . . . A 708 LYS HB3 . 34643 1 68 . 1 . 1 8 8 LYS HG2 H 1 1.238 0.020 . 2 . . . . A 708 LYS HG2 . 34643 1 69 . 1 . 1 8 8 LYS HG3 H 1 1.120 0.020 . 2 . . . . A 708 LYS HG3 . 34643 1 70 . 1 . 1 8 8 LYS HD2 H 1 1.473 0.020 . 1 . . . . A 708 LYS HD2 . 34643 1 71 . 1 . 1 8 8 LYS HD3 H 1 1.473 0.020 . 1 . . . . A 708 LYS HD3 . 34643 1 72 . 1 . 1 8 8 LYS HE2 H 1 2.759 0.020 . 1 . . . . A 708 LYS HE2 . 34643 1 73 . 1 . 1 8 8 LYS HE3 H 1 2.759 0.020 . 1 . . . . A 708 LYS HE3 . 34643 1 74 . 1 . 1 8 8 LYS C C 13 175.439 0.3 . 1 . . . . A 708 LYS C . 34643 1 75 . 1 . 1 8 8 LYS CA C 13 53.922 0.3 . 1 . . . . A 708 LYS CA . 34643 1 76 . 1 . 1 8 8 LYS CB C 13 35.151 0.3 . 1 . . . . A 708 LYS CB . 34643 1 77 . 1 . 1 8 8 LYS CG C 13 25.648 0.3 . 1 . . . . A 708 LYS CG . 34643 1 78 . 1 . 1 8 8 LYS CD C 13 29.521 0.3 . 1 . . . . A 708 LYS CD . 34643 1 79 . 1 . 1 8 8 LYS CE C 13 42.111 0.3 . 1 . . . . A 708 LYS CE . 34643 1 80 . 1 . 1 8 8 LYS N N 15 121.533 0.3 . 1 . . . . A 708 LYS N . 34643 1 81 . 1 . 1 9 9 VAL H H 1 9.203 0.020 . 1 . . . . A 709 VAL H . 34643 1 82 . 1 . 1 9 9 VAL HA H 1 4.942 0.020 . 1 . . . . A 709 VAL HA . 34643 1 83 . 1 . 1 9 9 VAL HB H 1 1.814 0.020 . 1 . . . . A 709 VAL HB . 34643 1 84 . 1 . 1 9 9 VAL HG11 H 1 0.767 0.020 . 2 . . . . A 709 VAL HG11 . 34643 1 85 . 1 . 1 9 9 VAL HG12 H 1 0.767 0.020 . 2 . . . . A 709 VAL HG12 . 34643 1 86 . 1 . 1 9 9 VAL HG13 H 1 0.767 0.020 . 2 . . . . A 709 VAL HG13 . 34643 1 87 . 1 . 1 9 9 VAL HG21 H 1 0.680 0.020 . 2 . . . . A 709 VAL HG21 . 34643 1 88 . 1 . 1 9 9 VAL HG22 H 1 0.680 0.020 . 2 . . . . A 709 VAL HG22 . 34643 1 89 . 1 . 1 9 9 VAL HG23 H 1 0.680 0.020 . 2 . . . . A 709 VAL HG23 . 34643 1 90 . 1 . 1 9 9 VAL C C 13 175.425 0.3 . 1 . . . . A 709 VAL C . 34643 1 91 . 1 . 1 9 9 VAL CA C 13 59.760 0.3 . 1 . . . . A 709 VAL CA . 34643 1 92 . 1 . 1 9 9 VAL CB C 13 34.335 0.3 . 1 . . . . A 709 VAL CB . 34643 1 93 . 1 . 1 9 9 VAL CG1 C 13 20.670 0.3 . 1 . . . . A 709 VAL CG1 . 34643 1 94 . 1 . 1 9 9 VAL CG2 C 13 20.768 0.3 . 1 . . . . A 709 VAL CG2 . 34643 1 95 . 1 . 1 9 9 VAL N N 15 120.691 0.3 . 1 . . . . A 709 VAL N . 34643 1 96 . 1 . 1 10 10 GLN H H 1 8.766 0.020 . 1 . . . . A 710 GLN H . 34643 1 97 . 1 . 1 10 10 GLN HA H 1 4.397 0.020 . 1 . . . . A 710 GLN HA . 34643 1 98 . 1 . 1 10 10 GLN HB2 H 1 1.784 0.020 . 2 . . . . A 710 GLN HB2 . 34643 1 99 . 1 . 1 10 10 GLN HB3 H 1 1.644 0.020 . 2 . . . . A 710 GLN HB3 . 34643 1 100 . 1 . 1 10 10 GLN HG2 H 1 2.211 0.020 . 2 . . . . A 710 GLN HG2 . 34643 1 101 . 1 . 1 10 10 GLN HG3 H 1 1.868 0.020 . 2 . . . . A 710 GLN HG3 . 34643 1 102 . 1 . 1 10 10 GLN HE21 H 1 7.427 0.020 . 1 . . . . A 710 GLN HE21 . 34643 1 103 . 1 . 1 10 10 GLN HE22 H 1 6.219 0.020 . 1 . . . . A 710 GLN HE22 . 34643 1 104 . 1 . 1 10 10 GLN C C 13 174.268 0.3 . 1 . . . . A 710 GLN C . 34643 1 105 . 1 . 1 10 10 GLN CA C 13 54.507 0.3 . 1 . . . . A 710 GLN CA . 34643 1 106 . 1 . 1 10 10 GLN CB C 13 28.913 0.3 . 1 . . . . A 710 GLN CB . 34643 1 107 . 1 . 1 10 10 GLN CG C 13 34.381 0.3 . 1 . . . . A 710 GLN CG . 34643 1 108 . 1 . 1 10 10 GLN N N 15 126.567 0.3 . 1 . . . . A 710 GLN N . 34643 1 109 . 1 . 1 10 10 GLN NE2 N 15 114.296 0.3 . 1 . . . . A 710 GLN NE2 . 34643 1 110 . 1 . 1 11 11 VAL H H 1 8.598 0.020 . 1 . . . . A 711 VAL H . 34643 1 111 . 1 . 1 11 11 VAL HA H 1 4.356 0.020 . 1 . . . . A 711 VAL HA . 34643 1 112 . 1 . 1 11 11 VAL HB H 1 2.453 0.020 . 1 . . . . A 711 VAL HB . 34643 1 113 . 1 . 1 11 11 VAL HG11 H 1 0.891 0.020 . 2 . . . . A 711 VAL HG11 . 34643 1 114 . 1 . 1 11 11 VAL HG12 H 1 0.891 0.020 . 2 . . . . A 711 VAL HG12 . 34643 1 115 . 1 . 1 11 11 VAL HG13 H 1 0.891 0.020 . 2 . . . . A 711 VAL HG13 . 34643 1 116 . 1 . 1 11 11 VAL HG21 H 1 0.916 0.020 . 2 . . . . A 711 VAL HG21 . 34643 1 117 . 1 . 1 11 11 VAL HG22 H 1 0.916 0.020 . 2 . . . . A 711 VAL HG22 . 34643 1 118 . 1 . 1 11 11 VAL HG23 H 1 0.916 0.020 . 2 . . . . A 711 VAL HG23 . 34643 1 119 . 1 . 1 11 11 VAL CA C 13 60.385 0.3 . 1 . . . . A 711 VAL CA . 34643 1 120 . 1 . 1 11 11 VAL CB C 13 32.634 0.3 . 1 . . . . A 711 VAL CB . 34643 1 121 . 1 . 1 11 11 VAL CG1 C 13 22.836 0.3 . 1 . . . . A 711 VAL CG1 . 34643 1 122 . 1 . 1 11 11 VAL CG2 C 13 26.808 0.3 . 1 . . . . A 711 VAL CG2 . 34643 1 123 . 1 . 1 11 11 VAL N N 15 132.213 0.3 . 1 . . . . A 711 VAL N . 34643 1 124 . 1 . 1 12 12 PRO HA H 1 4.609 0.020 . 1 . . . . A 712 PRO HA . 34643 1 125 . 1 . 1 12 12 PRO HB2 H 1 2.461 0.020 . 2 . . . . A 712 PRO HB2 . 34643 1 126 . 1 . 1 12 12 PRO HB3 H 1 1.796 0.020 . 2 . . . . A 712 PRO HB3 . 34643 1 127 . 1 . 1 12 12 PRO HG2 H 1 1.819 0.020 . 2 . . . . A 712 PRO HG2 . 34643 1 128 . 1 . 1 12 12 PRO HG3 H 1 2.095 0.020 . 2 . . . . A 712 PRO HG3 . 34643 1 129 . 1 . 1 12 12 PRO HD2 H 1 3.980 0.020 . 2 . . . . A 712 PRO HD2 . 34643 1 130 . 1 . 1 12 12 PRO HD3 H 1 3.574 0.020 . 2 . . . . A 712 PRO HD3 . 34643 1 131 . 1 . 1 12 12 PRO C C 13 175.072 0.3 . 1 . . . . A 712 PRO C . 34643 1 132 . 1 . 1 12 12 PRO CA C 13 62.745 0.3 . 1 . . . . A 712 PRO CA . 34643 1 133 . 1 . 1 12 12 PRO CB C 13 32.643 0.3 . 1 . . . . A 712 PRO CB . 34643 1 134 . 1 . 1 12 12 PRO CG C 13 27.589 0.3 . 1 . . . . A 712 PRO CG . 34643 1 135 . 1 . 1 12 12 PRO CD C 13 50.310 0.3 . 1 . . . . A 712 PRO CD . 34643 1 136 . 1 . 1 13 13 ASN H H 1 8.740 0.020 . 1 . . . . A 713 ASN H . 34643 1 137 . 1 . 1 13 13 ASN HA H 1 4.641 0.020 . 1 . . . . A 713 ASN HA . 34643 1 138 . 1 . 1 13 13 ASN HB2 H 1 3.087 0.020 . 2 . . . . A 713 ASN HB2 . 34643 1 139 . 1 . 1 13 13 ASN HB3 H 1 2.292 0.020 . 2 . . . . A 713 ASN HB3 . 34643 1 140 . 1 . 1 13 13 ASN HD21 H 1 7.444 0.020 . 1 . . . . A 713 ASN HD21 . 34643 1 141 . 1 . 1 13 13 ASN HD22 H 1 6.729 0.020 . 1 . . . . A 713 ASN HD22 . 34643 1 142 . 1 . 1 13 13 ASN C C 13 174.832 0.3 . 1 . . . . A 713 ASN C . 34643 1 143 . 1 . 1 13 13 ASN CA C 13 52.078 0.3 . 1 . . . . A 713 ASN CA . 34643 1 144 . 1 . 1 13 13 ASN CB C 13 38.262 0.3 . 1 . . . . A 713 ASN CB . 34643 1 145 . 1 . 1 13 13 ASN N N 15 119.237 0.3 . 1 . . . . A 713 ASN N . 34643 1 146 . 1 . 1 13 13 ASN ND2 N 15 110.478 0.3 . 1 . . . . A 713 ASN ND2 . 34643 1 147 . 1 . 1 14 14 MET H H 1 8.295 0.020 . 1 . . . . A 714 MET H . 34643 1 148 . 1 . 1 14 14 MET HA H 1 4.791 0.020 . 1 . . . . A 714 MET HA . 34643 1 149 . 1 . 1 14 14 MET HB2 H 1 1.966 0.020 . 2 . . . . A 714 MET HB2 . 34643 1 150 . 1 . 1 14 14 MET HB3 H 1 2.290 0.020 . 2 . . . . A 714 MET HB3 . 34643 1 151 . 1 . 1 14 14 MET HG2 H 1 2.558 0.020 . 2 . . . . A 714 MET HG2 . 34643 1 152 . 1 . 1 14 14 MET HG3 H 1 2.423 0.020 . 2 . . . . A 714 MET HG3 . 34643 1 153 . 1 . 1 14 14 MET HE1 H 1 2.164 0.020 . 1 . . . . A 714 MET HE1 . 34643 1 154 . 1 . 1 14 14 MET HE2 H 1 2.164 0.020 . 1 . . . . A 714 MET HE2 . 34643 1 155 . 1 . 1 14 14 MET HE3 H 1 2.164 0.020 . 1 . . . . A 714 MET HE3 . 34643 1 156 . 1 . 1 14 14 MET C C 13 176.244 0.3 . 1 . . . . A 714 MET C . 34643 1 157 . 1 . 1 14 14 MET CA C 13 54.139 0.3 . 1 . . . . A 714 MET CA . 34643 1 158 . 1 . 1 14 14 MET CB C 13 33.862 0.3 . 1 . . . . A 714 MET CB . 34643 1 159 . 1 . 1 14 14 MET CG C 13 32.634 0.3 . 1 . . . . A 714 MET CG . 34643 1 160 . 1 . 1 14 14 MET CE C 13 17.500 0.3 . 1 . . . . A 714 MET CE . 34643 1 161 . 1 . 1 14 14 MET N N 15 125.108 0.3 . 1 . . . . A 714 MET N . 34643 1 162 . 1 . 1 15 15 GLN H H 1 8.784 0.020 . 1 . . . . A 715 GLN H . 34643 1 163 . 1 . 1 15 15 GLN HA H 1 4.065 0.020 . 1 . . . . A 715 GLN HA . 34643 1 164 . 1 . 1 15 15 GLN HB2 H 1 2.106 0.020 . 2 . . . . A 715 GLN HB2 . 34643 1 165 . 1 . 1 15 15 GLN HB3 H 1 2.016 0.020 . 2 . . . . A 715 GLN HB3 . 34643 1 166 . 1 . 1 15 15 GLN HG2 H 1 2.426 0.020 . 1 . . . . A 715 GLN HG2 . 34643 1 167 . 1 . 1 15 15 GLN HG3 H 1 2.426 0.020 . 1 . . . . A 715 GLN HG3 . 34643 1 168 . 1 . 1 15 15 GLN HE21 H 1 7.548 0.020 . 1 . . . . A 715 GLN HE21 . 34643 1 169 . 1 . 1 15 15 GLN HE22 H 1 6.917 0.020 . 1 . . . . A 715 GLN HE22 . 34643 1 170 . 1 . 1 15 15 GLN C C 13 175.919 0.3 . 1 . . . . A 715 GLN C . 34643 1 171 . 1 . 1 15 15 GLN CA C 13 58.133 0.3 . 1 . . . . A 715 GLN CA . 34643 1 172 . 1 . 1 15 15 GLN CB C 13 28.336 0.3 . 1 . . . . A 715 GLN CB . 34643 1 173 . 1 . 1 15 15 GLN CG C 13 34.083 0.3 . 1 . . . . A 715 GLN CG . 34643 1 174 . 1 . 1 15 15 GLN N N 15 123.436 0.3 . 1 . . . . A 715 GLN N . 34643 1 175 . 1 . 1 15 15 GLN NE2 N 15 112.826 0.3 . 1 . . . . A 715 GLN NE2 . 34643 1 176 . 1 . 1 16 16 ASP H H 1 8.961 0.020 . 1 . . . . A 716 ASP H . 34643 1 177 . 1 . 1 16 16 ASP HA H 1 4.459 0.020 . 1 . . . . A 716 ASP HA . 34643 1 178 . 1 . 1 16 16 ASP HB2 H 1 2.719 0.020 . 1 . . . . A 716 ASP HB2 . 34643 1 179 . 1 . 1 16 16 ASP HB3 H 1 2.719 0.020 . 1 . . . . A 716 ASP HB3 . 34643 1 180 . 1 . 1 16 16 ASP C C 13 176.442 0.3 . 1 . . . . A 716 ASP C . 34643 1 181 . 1 . 1 16 16 ASP CA C 13 54.643 0.3 . 1 . . . . A 716 ASP CA . 34643 1 182 . 1 . 1 16 16 ASP CB C 13 39.785 0.3 . 1 . . . . A 716 ASP CB . 34643 1 183 . 1 . 1 16 16 ASP N N 15 116.334 0.3 . 1 . . . . A 716 ASP N . 34643 1 184 . 1 . 1 17 17 LYS H H 1 7.563 0.020 . 1 . . . . A 717 LYS H . 34643 1 185 . 1 . 1 17 17 LYS HA H 1 4.462 0.020 . 1 . . . . A 717 LYS HA . 34643 1 186 . 1 . 1 17 17 LYS HB2 H 1 1.849 0.020 . 2 . . . . A 717 LYS HB2 . 34643 1 187 . 1 . 1 17 17 LYS HB3 H 1 1.703 0.020 . 2 . . . . A 717 LYS HB3 . 34643 1 188 . 1 . 1 17 17 LYS HG2 H 1 1.337 0.020 . 1 . . . . A 717 LYS HG2 . 34643 1 189 . 1 . 1 17 17 LYS HG3 H 1 1.337 0.020 . 1 . . . . A 717 LYS HG3 . 34643 1 190 . 1 . 1 17 17 LYS HD2 H 1 1.475 0.020 . 2 . . . . A 717 LYS HD2 . 34643 1 191 . 1 . 1 17 17 LYS HD3 H 1 1.328 0.020 . 2 . . . . A 717 LYS HD3 . 34643 1 192 . 1 . 1 17 17 LYS HE2 H 1 2.747 0.020 . 1 . . . . A 717 LYS HE2 . 34643 1 193 . 1 . 1 17 17 LYS HE3 H 1 2.747 0.020 . 1 . . . . A 717 LYS HE3 . 34643 1 194 . 1 . 1 17 17 LYS CA C 13 54.285 0.3 . 1 . . . . A 717 LYS CA . 34643 1 195 . 1 . 1 17 17 LYS CB C 13 31.014 0.3 . 1 . . . . A 717 LYS CB . 34643 1 196 . 1 . 1 17 17 LYS CG C 13 24.252 0.3 . 1 . . . . A 717 LYS CG . 34643 1 197 . 1 . 1 17 17 LYS CD C 13 28.184 0.3 . 1 . . . . A 717 LYS CD . 34643 1 198 . 1 . 1 17 17 LYS CE C 13 42.094 0.3 . 1 . . . . A 717 LYS CE . 34643 1 199 . 1 . 1 17 17 LYS N N 15 119.836 0.3 . 1 . . . . A 717 LYS N . 34643 1 200 . 1 . 1 18 18 THR H H 1 7.640 0.020 . 1 . . . . A 718 THR H . 34643 1 201 . 1 . 1 18 18 THR HA H 1 4.219 0.020 . 1 . . . . A 718 THR HA . 34643 1 202 . 1 . 1 18 18 THR HB H 1 4.099 0.020 . 1 . . . . A 718 THR HB . 34643 1 203 . 1 . 1 18 18 THR HG21 H 1 1.211 0.020 . 1 . . . . A 718 THR HG21 . 34643 1 204 . 1 . 1 18 18 THR HG22 H 1 1.211 0.020 . 1 . . . . A 718 THR HG22 . 34643 1 205 . 1 . 1 18 18 THR HG23 H 1 1.211 0.020 . 1 . . . . A 718 THR HG23 . 34643 1 206 . 1 . 1 18 18 THR C C 13 174.945 0.3 . 1 . . . . A 718 THR C . 34643 1 207 . 1 . 1 18 18 THR CA C 13 62.585 0.3 . 1 . . . . A 718 THR CA . 34643 1 208 . 1 . 1 18 18 THR CB C 13 69.747 0.3 . 1 . . . . A 718 THR CB . 34643 1 209 . 1 . 1 18 18 THR CG2 C 13 21.711 0.3 . 1 . . . . A 718 THR CG2 . 34643 1 210 . 1 . 1 18 18 THR N N 15 112.057 0.3 . 1 . . . . A 718 THR N . 34643 1 211 . 1 . 1 19 19 GLU H H 1 8.738 0.020 . 1 . . . . A 719 GLU H . 34643 1 212 . 1 . 1 19 19 GLU HA H 1 4.127 0.020 . 1 . . . . A 719 GLU HA . 34643 1 213 . 1 . 1 19 19 GLU HB2 H 1 1.693 0.020 . 2 . . . . A 719 GLU HB2 . 34643 1 214 . 1 . 1 19 19 GLU HB3 H 1 1.396 0.020 . 2 . . . . A 719 GLU HB3 . 34643 1 215 . 1 . 1 19 19 GLU HG2 H 1 1.724 0.020 . 2 . . . . A 719 GLU HG2 . 34643 1 216 . 1 . 1 19 19 GLU HG3 H 1 1.507 0.020 . 2 . . . . A 719 GLU HG3 . 34643 1 217 . 1 . 1 19 19 GLU C C 13 175.806 0.3 . 1 . . . . A 719 GLU C . 34643 1 218 . 1 . 1 19 19 GLU CA C 13 56.970 0.3 . 1 . . . . A 719 GLU CA . 34643 1 219 . 1 . 1 19 19 GLU CB C 13 29.109 0.3 . 1 . . . . A 719 GLU CB . 34643 1 220 . 1 . 1 19 19 GLU CG C 13 35.417 0.3 . 1 . . . . A 719 GLU CG . 34643 1 221 . 1 . 1 19 19 GLU N N 15 119.630 0.3 . 1 . . . . A 719 GLU N . 34643 1 222 . 1 . 1 20 20 TRP H H 1 7.829 0.020 . 1 . . . . A 720 TRP H . 34643 1 223 . 1 . 1 20 20 TRP HA H 1 5.383 0.020 . 1 . . . . A 720 TRP HA . 34643 1 224 . 1 . 1 20 20 TRP HB2 H 1 3.085 0.020 . 1 . . . . A 720 TRP HB2 . 34643 1 225 . 1 . 1 20 20 TRP HB3 H 1 3.085 0.020 . 1 . . . . A 720 TRP HB3 . 34643 1 226 . 1 . 1 20 20 TRP HD1 H 1 7.008 0.020 . 1 . . . . A 720 TRP HD1 . 34643 1 227 . 1 . 1 20 20 TRP HE1 H 1 10.420 0.020 . 1 . . . . A 720 TRP HE1 . 34643 1 228 . 1 . 1 20 20 TRP HZ2 H 1 7.484 0.020 . 1 . . . . A 720 TRP HZ2 . 34643 1 229 . 1 . 1 20 20 TRP HZ3 H 1 7.020 0.020 . 1 . . . . A 720 TRP HZ3 . 34643 1 230 . 1 . 1 20 20 TRP HH2 H 1 7.157 0.020 . 1 . . . . A 720 TRP HH2 . 34643 1 231 . 1 . 1 20 20 TRP C C 13 175.086 0.3 . 1 . . . . A 720 TRP C . 34643 1 232 . 1 . 1 20 20 TRP CA C 13 53.703 0.3 . 1 . . . . A 720 TRP CA . 34643 1 233 . 1 . 1 20 20 TRP CB C 13 31.513 0.3 . 1 . . . . A 720 TRP CB . 34643 1 234 . 1 . 1 20 20 TRP CD1 C 13 125.558 0.3 . 1 . . . . A 720 TRP CD1 . 34643 1 235 . 1 . 1 20 20 TRP CE3 C 13 125.610 0.3 . 1 . . . . A 720 TRP CE3 . 34643 1 236 . 1 . 1 20 20 TRP CZ2 C 13 114.542 0.3 . 1 . . . . A 720 TRP CZ2 . 34643 1 237 . 1 . 1 20 20 TRP CZ3 C 13 121.138 0.3 . 1 . . . . A 720 TRP CZ3 . 34643 1 238 . 1 . 1 20 20 TRP CH2 C 13 123.924 0.3 . 1 . . . . A 720 TRP CH2 . 34643 1 239 . 1 . 1 20 20 TRP N N 15 120.555 0.3 . 1 . . . . A 720 TRP N . 34643 1 240 . 1 . 1 20 20 TRP NE1 N 15 130.571 0.3 . 1 . . . . A 720 TRP NE1 . 34643 1 241 . 1 . 1 21 21 LYS H H 1 8.885 0.020 . 1 . . . . A 721 LYS H . 34643 1 242 . 1 . 1 21 21 LYS HA H 1 4.545 0.020 . 1 . . . . A 721 LYS HA . 34643 1 243 . 1 . 1 21 21 LYS HB2 H 1 1.875 0.020 . 2 . . . . A 721 LYS HB2 . 34643 1 244 . 1 . 1 21 21 LYS HB3 H 1 1.771 0.020 . 2 . . . . A 721 LYS HB3 . 34643 1 245 . 1 . 1 21 21 LYS HG2 H 1 1.480 0.020 . 2 . . . . A 721 LYS HG2 . 34643 1 246 . 1 . 1 21 21 LYS HG3 H 1 1.401 0.020 . 2 . . . . A 721 LYS HG3 . 34643 1 247 . 1 . 1 21 21 LYS HD2 H 1 1.699 0.020 . 1 . . . . A 721 LYS HD2 . 34643 1 248 . 1 . 1 21 21 LYS HD3 H 1 1.699 0.020 . 1 . . . . A 721 LYS HD3 . 34643 1 249 . 1 . 1 21 21 LYS HE2 H 1 2.967 0.020 . 1 . . . . A 721 LYS HE2 . 34643 1 250 . 1 . 1 21 21 LYS HE3 H 1 2.967 0.020 . 1 . . . . A 721 LYS HE3 . 34643 1 251 . 1 . 1 21 21 LYS C C 13 174.917 0.3 . 1 . . . . A 721 LYS C . 34643 1 252 . 1 . 1 21 21 LYS CA C 13 54.590 0.3 . 1 . . . . A 721 LYS CA . 34643 1 253 . 1 . 1 21 21 LYS CB C 13 31.005 0.3 . 1 . . . . A 721 LYS CB . 34643 1 254 . 1 . 1 21 21 LYS CG C 13 24.463 0.3 . 1 . . . . A 721 LYS CG . 34643 1 255 . 1 . 1 21 21 LYS CD C 13 29.381 0.3 . 1 . . . . A 721 LYS CD . 34643 1 256 . 1 . 1 21 21 LYS CE C 13 42.200 0.3 . 1 . . . . A 721 LYS CE . 34643 1 257 . 1 . 1 21 21 LYS N N 15 121.357 0.3 . 1 . . . . A 721 LYS N . 34643 1 258 . 1 . 1 22 22 LEU H H 1 8.039 0.020 . 1 . . . . A 722 LEU H . 34643 1 259 . 1 . 1 22 22 LEU HA H 1 4.763 0.020 . 1 . . . . A 722 LEU HA . 34643 1 260 . 1 . 1 22 22 LEU HB2 H 1 2.176 0.020 . 2 . . . . A 722 LEU HB2 . 34643 1 261 . 1 . 1 22 22 LEU HB3 H 1 1.364 0.020 . 2 . . . . A 722 LEU HB3 . 34643 1 262 . 1 . 1 22 22 LEU HG H 1 1.243 0.020 . 1 . . . . A 722 LEU HG . 34643 1 263 . 1 . 1 22 22 LEU HD11 H 1 1.849 0.020 . 2 . . . . A 722 LEU HD11 . 34643 1 264 . 1 . 1 22 22 LEU HD12 H 1 1.849 0.020 . 2 . . . . A 722 LEU HD12 . 34643 1 265 . 1 . 1 22 22 LEU HD13 H 1 1.849 0.020 . 2 . . . . A 722 LEU HD13 . 34643 1 266 . 1 . 1 22 22 LEU HD21 H 1 0.852 0.020 . 2 . . . . A 722 LEU HD21 . 34643 1 267 . 1 . 1 22 22 LEU HD22 H 1 0.852 0.020 . 2 . . . . A 722 LEU HD22 . 34643 1 268 . 1 . 1 22 22 LEU HD23 H 1 0.852 0.020 . 2 . . . . A 722 LEU HD23 . 34643 1 269 . 1 . 1 22 22 LEU C C 13 175.821 0.3 . 1 . . . . A 722 LEU C . 34643 1 270 . 1 . 1 22 22 LEU CA C 13 52.821 0.3 . 1 . . . . A 722 LEU CA . 34643 1 271 . 1 . 1 22 22 LEU CB C 13 39.148 0.3 . 1 . . . . A 722 LEU CB . 34643 1 272 . 1 . 1 22 22 LEU CG C 13 27.377 0.3 . 1 . . . . A 722 LEU CG . 34643 1 273 . 1 . 1 22 22 LEU CD1 C 13 26.981 0.3 . 1 . . . . A 722 LEU CD1 . 34643 1 274 . 1 . 1 22 22 LEU CD2 C 13 23.353 0.3 . 1 . . . . A 722 LEU CD2 . 34643 1 275 . 1 . 1 22 22 LEU N N 15 123.683 0.3 . 1 . . . . A 722 LEU N . 34643 1 276 . 1 . 1 23 23 ASN H H 1 8.400 0.020 . 1 . . . . A 723 ASN H . 34643 1 277 . 1 . 1 23 23 ASN HA H 1 5.258 0.020 . 1 . . . . A 723 ASN HA . 34643 1 278 . 1 . 1 23 23 ASN HB2 H 1 3.029 0.020 . 2 . . . . A 723 ASN HB2 . 34643 1 279 . 1 . 1 23 23 ASN HB3 H 1 2.399 0.020 . 2 . . . . A 723 ASN HB3 . 34643 1 280 . 1 . 1 23 23 ASN HD21 H 1 7.380 0.020 . 1 . . . . A 723 ASN HD21 . 34643 1 281 . 1 . 1 23 23 ASN HD22 H 1 6.903 0.020 . 1 . . . . A 723 ASN HD22 . 34643 1 282 . 1 . 1 23 23 ASN C C 13 176.456 0.3 . 1 . . . . A 723 ASN C . 34643 1 283 . 1 . 1 23 23 ASN CA C 13 51.958 0.3 . 1 . . . . A 723 ASN CA . 34643 1 284 . 1 . 1 23 23 ASN CB C 13 40.194 0.3 . 1 . . . . A 723 ASN CB . 34643 1 285 . 1 . 1 23 23 ASN N N 15 120.770 0.3 . 1 . . . . A 723 ASN N . 34643 1 286 . 1 . 1 23 23 ASN ND2 N 15 110.691 0.3 . 1 . . . . A 723 ASN ND2 . 34643 1 287 . 1 . 1 24 24 GLY H H 1 7.806 0.020 . 1 . . . . A 724 GLY H . 34643 1 288 . 1 . 1 24 24 GLY HA2 H 1 3.977 0.020 . 2 . . . . A 724 GLY HA2 . 34643 1 289 . 1 . 1 24 24 GLY HA3 H 1 3.867 0.020 . 2 . . . . A 724 GLY HA3 . 34643 1 290 . 1 . 1 24 24 GLY C C 13 173.915 0.3 . 1 . . . . A 724 GLY C . 34643 1 291 . 1 . 1 24 24 GLY CA C 13 45.998 0.3 . 1 . . . . A 724 GLY CA . 34643 1 292 . 1 . 1 24 24 GLY N N 15 108.405 0.3 . 1 . . . . A 724 GLY N . 34643 1 293 . 1 . 1 25 25 GLN H H 1 10.091 0.020 . 1 . . . . A 725 GLN H . 34643 1 294 . 1 . 1 25 25 GLN HA H 1 4.298 0.020 . 1 . . . . A 725 GLN HA . 34643 1 295 . 1 . 1 25 25 GLN HB2 H 1 2.029 0.020 . 2 . . . . A 725 GLN HB2 . 34643 1 296 . 1 . 1 25 25 GLN HB3 H 1 1.976 0.020 . 2 . . . . A 725 GLN HB3 . 34643 1 297 . 1 . 1 25 25 GLN HG2 H 1 2.494 0.020 . 2 . . . . A 725 GLN HG2 . 34643 1 298 . 1 . 1 25 25 GLN HG3 H 1 2.072 0.020 . 2 . . . . A 725 GLN HG3 . 34643 1 299 . 1 . 1 25 25 GLN HE21 H 1 7.726 0.020 . 1 . . . . A 725 GLN HE21 . 34643 1 300 . 1 . 1 25 25 GLN HE22 H 1 7.550 0.020 . 1 . . . . A 725 GLN HE22 . 34643 1 301 . 1 . 1 25 25 GLN C C 13 172.715 0.3 . 1 . . . . A 725 GLN C . 34643 1 302 . 1 . 1 25 25 GLN CA C 13 55.358 0.3 . 1 . . . . A 725 GLN CA . 34643 1 303 . 1 . 1 25 25 GLN CB C 13 28.610 0.3 . 1 . . . . A 725 GLN CB . 34643 1 304 . 1 . 1 25 25 GLN CG C 13 32.638 0.3 . 1 . . . . A 725 GLN CG . 34643 1 305 . 1 . 1 25 25 GLN N N 15 123.882 0.3 . 1 . . . . A 725 GLN N . 34643 1 306 . 1 . 1 25 25 GLN NE2 N 15 110.419 0.3 . 1 . . . . A 725 GLN NE2 . 34643 1 307 . 1 . 1 26 26 VAL H H 1 8.103 0.020 . 1 . . . . A 726 VAL H . 34643 1 308 . 1 . 1 26 26 VAL HA H 1 4.785 0.020 . 1 . . . . A 726 VAL HA . 34643 1 309 . 1 . 1 26 26 VAL HB H 1 1.798 0.020 . 1 . . . . A 726 VAL HB . 34643 1 310 . 1 . 1 26 26 VAL HG11 H 1 0.856 0.020 . 2 . . . . A 726 VAL HG11 . 34643 1 311 . 1 . 1 26 26 VAL HG12 H 1 0.856 0.020 . 2 . . . . A 726 VAL HG12 . 34643 1 312 . 1 . 1 26 26 VAL HG13 H 1 0.856 0.020 . 2 . . . . A 726 VAL HG13 . 34643 1 313 . 1 . 1 26 26 VAL HG21 H 1 0.657 0.020 . 2 . . . . A 726 VAL HG21 . 34643 1 314 . 1 . 1 26 26 VAL HG22 H 1 0.657 0.020 . 2 . . . . A 726 VAL HG22 . 34643 1 315 . 1 . 1 26 26 VAL HG23 H 1 0.657 0.020 . 2 . . . . A 726 VAL HG23 . 34643 1 316 . 1 . 1 26 26 VAL C C 13 176.823 0.3 . 1 . . . . A 726 VAL C . 34643 1 317 . 1 . 1 26 26 VAL CA C 13 60.933 0.3 . 1 . . . . A 726 VAL CA . 34643 1 318 . 1 . 1 26 26 VAL CB C 13 32.774 0.3 . 1 . . . . A 726 VAL CB . 34643 1 319 . 1 . 1 26 26 VAL CG1 C 13 21.593 0.3 . 1 . . . . A 726 VAL CG1 . 34643 1 320 . 1 . 1 26 26 VAL CG2 C 13 21.444 0.3 . 1 . . . . A 726 VAL CG2 . 34643 1 321 . 1 . 1 26 26 VAL N N 15 119.057 0.3 . 1 . . . . A 726 VAL N . 34643 1 322 . 1 . 1 27 27 LEU H H 1 8.863 0.020 . 1 . . . . A 727 LEU H . 34643 1 323 . 1 . 1 27 27 LEU HA H 1 4.380 0.020 . 1 . . . . A 727 LEU HA . 34643 1 324 . 1 . 1 27 27 LEU HB2 H 1 0.967 0.020 . 2 . . . . A 727 LEU HB2 . 34643 1 325 . 1 . 1 27 27 LEU HB3 H 1 1.309 0.020 . 2 . . . . A 727 LEU HB3 . 34643 1 326 . 1 . 1 27 27 LEU HG H 1 1.512 0.020 . 1 . . . . A 727 LEU HG . 34643 1 327 . 1 . 1 27 27 LEU HD11 H 1 0.804 0.020 . 2 . . . . A 727 LEU HD11 . 34643 1 328 . 1 . 1 27 27 LEU HD12 H 1 0.804 0.020 . 2 . . . . A 727 LEU HD12 . 34643 1 329 . 1 . 1 27 27 LEU HD13 H 1 0.804 0.020 . 2 . . . . A 727 LEU HD13 . 34643 1 330 . 1 . 1 27 27 LEU HD21 H 1 0.834 0.020 . 2 . . . . A 727 LEU HD21 . 34643 1 331 . 1 . 1 27 27 LEU HD22 H 1 0.834 0.020 . 2 . . . . A 727 LEU HD22 . 34643 1 332 . 1 . 1 27 27 LEU HD23 H 1 0.834 0.020 . 2 . . . . A 727 LEU HD23 . 34643 1 333 . 1 . 1 27 27 LEU C C 13 175.072 0.3 . 1 . . . . A 727 LEU C . 34643 1 334 . 1 . 1 27 27 LEU CA C 13 52.784 0.3 . 1 . . . . A 727 LEU CA . 34643 1 335 . 1 . 1 27 27 LEU CB C 13 43.601 0.3 . 1 . . . . A 727 LEU CB . 34643 1 336 . 1 . 1 27 27 LEU CG C 13 26.690 0.3 . 1 . . . . A 727 LEU CG . 34643 1 337 . 1 . 1 27 27 LEU CD1 C 13 26.647 0.3 . 1 . . . . A 727 LEU CD1 . 34643 1 338 . 1 . 1 27 27 LEU CD2 C 13 22.739 0.3 . 1 . . . . A 727 LEU CD2 . 34643 1 339 . 1 . 1 27 27 LEU N N 15 128.328 0.3 . 1 . . . . A 727 LEU N . 34643 1 340 . 1 . 1 28 28 VAL H H 1 7.840 0.020 . 1 . . . . A 728 VAL H . 34643 1 341 . 1 . 1 28 28 VAL HA H 1 4.776 0.020 . 1 . . . . A 728 VAL HA . 34643 1 342 . 1 . 1 28 28 VAL HB H 1 1.737 0.020 . 1 . . . . A 728 VAL HB . 34643 1 343 . 1 . 1 28 28 VAL HG11 H 1 0.699 0.020 . 2 . . . . A 728 VAL HG11 . 34643 1 344 . 1 . 1 28 28 VAL HG12 H 1 0.699 0.020 . 2 . . . . A 728 VAL HG12 . 34643 1 345 . 1 . 1 28 28 VAL HG13 H 1 0.699 0.020 . 2 . . . . A 728 VAL HG13 . 34643 1 346 . 1 . 1 28 28 VAL HG21 H 1 0.718 0.020 . 2 . . . . A 728 VAL HG21 . 34643 1 347 . 1 . 1 28 28 VAL HG22 H 1 0.718 0.020 . 2 . . . . A 728 VAL HG22 . 34643 1 348 . 1 . 1 28 28 VAL HG23 H 1 0.718 0.020 . 2 . . . . A 728 VAL HG23 . 34643 1 349 . 1 . 1 28 28 VAL CA C 13 60.783 0.3 . 1 . . . . A 728 VAL CA . 34643 1 350 . 1 . 1 28 28 VAL CB C 13 33.405 0.3 . 1 . . . . A 728 VAL CB . 34643 1 351 . 1 . 1 28 28 VAL CG1 C 13 20.654 0.3 . 1 . . . . A 728 VAL CG1 . 34643 1 352 . 1 . 1 28 28 VAL CG2 C 13 20.921 0.3 . 1 . . . . A 728 VAL CG2 . 34643 1 353 . 1 . 1 28 28 VAL N N 15 120.080 0.3 . 1 . . . . A 728 VAL N . 34643 1 354 . 1 . 1 29 29 PHE H H 1 8.650 0.020 . 1 . . . . A 729 PHE H . 34643 1 355 . 1 . 1 29 29 PHE HA H 1 5.210 0.020 . 1 . . . . A 729 PHE HA . 34643 1 356 . 1 . 1 29 29 PHE HB2 H 1 3.146 0.020 . 2 . . . . A 729 PHE HB2 . 34643 1 357 . 1 . 1 29 29 PHE HB3 H 1 2.516 0.020 . 2 . . . . A 729 PHE HB3 . 34643 1 358 . 1 . 1 29 29 PHE HD1 H 1 7.044 0.020 . 1 . . . . A 729 PHE HD1 . 34643 1 359 . 1 . 1 29 29 PHE HD2 H 1 7.044 0.020 . 1 . . . . A 729 PHE HD2 . 34643 1 360 . 1 . 1 29 29 PHE HE1 H 1 6.804 0.020 . 1 . . . . A 729 PHE HE1 . 34643 1 361 . 1 . 1 29 29 PHE HE2 H 1 6.804 0.020 . 1 . . . . A 729 PHE HE2 . 34643 1 362 . 1 . 1 29 29 PHE HZ H 1 7.091 0.020 . 1 . . . . A 729 PHE HZ . 34643 1 363 . 1 . 1 29 29 PHE C C 13 174.070 0.3 . 1 . . . . A 729 PHE C . 34643 1 364 . 1 . 1 29 29 PHE CA C 13 54.437 0.3 . 1 . . . . A 729 PHE CA . 34643 1 365 . 1 . 1 29 29 PHE CB C 13 42.412 0.3 . 1 . . . . A 729 PHE CB . 34643 1 366 . 1 . 1 29 29 PHE CD1 C 13 131.258 0.3 . 1 . . . . A 729 PHE CD1 . 34643 1 367 . 1 . 1 29 29 PHE CD2 C 13 131.258 0.3 . 1 . . . . A 729 PHE CD2 . 34643 1 368 . 1 . 1 29 29 PHE CE1 C 13 129.367 0.3 . 1 . . . . A 729 PHE CE1 . 34643 1 369 . 1 . 1 29 29 PHE CE2 C 13 129.367 0.3 . 1 . . . . A 729 PHE CE2 . 34643 1 370 . 1 . 1 29 29 PHE CZ C 13 130.910 0.3 . 1 . . . . A 729 PHE CZ . 34643 1 371 . 1 . 1 29 29 PHE N N 15 124.607 0.3 . 1 . . . . A 729 PHE N . 34643 1 372 . 1 . 1 30 30 THR H H 1 8.590 0.020 . 1 . . . . A 730 THR H . 34643 1 373 . 1 . 1 30 30 THR HA H 1 5.389 0.020 . 1 . . . . A 730 THR HA . 34643 1 374 . 1 . 1 30 30 THR HB H 1 3.863 0.020 . 1 . . . . A 730 THR HB . 34643 1 375 . 1 . 1 30 30 THR HG21 H 1 0.977 0.020 . 1 . . . . A 730 THR HG21 . 34643 1 376 . 1 . 1 30 30 THR HG22 H 1 0.977 0.020 . 1 . . . . A 730 THR HG22 . 34643 1 377 . 1 . 1 30 30 THR HG23 H 1 0.977 0.020 . 1 . . . . A 730 THR HG23 . 34643 1 378 . 1 . 1 30 30 THR C C 13 174.225 0.3 . 1 . . . . A 730 THR C . 34643 1 379 . 1 . 1 30 30 THR CA C 13 61.093 0.3 . 1 . . . . A 730 THR CA . 34643 1 380 . 1 . 1 30 30 THR CB C 13 69.878 0.3 . 1 . . . . A 730 THR CB . 34643 1 381 . 1 . 1 30 30 THR CG2 C 13 21.565 0.3 . 1 . . . . A 730 THR CG2 . 34643 1 382 . 1 . 1 30 30 THR N N 15 117.901 0.3 . 1 . . . . A 730 THR N . 34643 1 383 . 1 . 1 31 31 LEU H H 1 8.969 0.020 . 1 . . . . A 731 LEU H . 34643 1 384 . 1 . 1 31 31 LEU HA H 1 4.946 0.020 . 1 . . . . A 731 LEU HA . 34643 1 385 . 1 . 1 31 31 LEU HB2 H 1 1.594 0.020 . 2 . . . . A 731 LEU HB2 . 34643 1 386 . 1 . 1 31 31 LEU HB3 H 1 1.462 0.020 . 2 . . . . A 731 LEU HB3 . 34643 1 387 . 1 . 1 31 31 LEU HG H 1 1.498 0.020 . 1 . . . . A 731 LEU HG . 34643 1 388 . 1 . 1 31 31 LEU HD11 H 1 0.845 0.020 . 2 . . . . A 731 LEU HD11 . 34643 1 389 . 1 . 1 31 31 LEU HD12 H 1 0.845 0.020 . 2 . . . . A 731 LEU HD12 . 34643 1 390 . 1 . 1 31 31 LEU HD13 H 1 0.845 0.020 . 2 . . . . A 731 LEU HD13 . 34643 1 391 . 1 . 1 31 31 LEU HD21 H 1 0.697 0.020 . 2 . . . . A 731 LEU HD21 . 34643 1 392 . 1 . 1 31 31 LEU HD22 H 1 0.697 0.020 . 2 . . . . A 731 LEU HD22 . 34643 1 393 . 1 . 1 31 31 LEU HD23 H 1 0.697 0.020 . 2 . . . . A 731 LEU HD23 . 34643 1 394 . 1 . 1 31 31 LEU CA C 13 52.520 0.3 . 1 . . . . A 731 LEU CA . 34643 1 395 . 1 . 1 31 31 LEU CB C 13 44.174 0.3 . 1 . . . . A 731 LEU CB . 34643 1 396 . 1 . 1 31 31 LEU CG C 13 27.294 0.3 . 1 . . . . A 731 LEU CG . 34643 1 397 . 1 . 1 31 31 LEU CD1 C 13 24.333 0.3 . 1 . . . . A 731 LEU CD1 . 34643 1 398 . 1 . 1 31 31 LEU CD2 C 13 26.975 0.3 . 1 . . . . A 731 LEU CD2 . 34643 1 399 . 1 . 1 31 31 LEU N N 15 127.864 0.3 . 1 . . . . A 731 LEU N . 34643 1 400 . 1 . 1 32 32 PRO HA H 1 4.399 0.020 . 1 . . . . A 732 PRO HA . 34643 1 401 . 1 . 1 32 32 PRO HB2 H 1 2.183 0.020 . 2 . . . . A 732 PRO HB2 . 34643 1 402 . 1 . 1 32 32 PRO HB3 H 1 1.795 0.020 . 2 . . . . A 732 PRO HB3 . 34643 1 403 . 1 . 1 32 32 PRO HG2 H 1 1.999 0.020 . 2 . . . . A 732 PRO HG2 . 34643 1 404 . 1 . 1 32 32 PRO HG3 H 1 1.848 0.020 . 2 . . . . A 732 PRO HG3 . 34643 1 405 . 1 . 1 32 32 PRO HD2 H 1 3.837 0.020 . 2 . . . . A 732 PRO HD2 . 34643 1 406 . 1 . 1 32 32 PRO HD3 H 1 3.651 0.020 . 2 . . . . A 732 PRO HD3 . 34643 1 407 . 1 . 1 32 32 PRO C C 13 177.783 0.3 . 1 . . . . A 732 PRO C . 34643 1 408 . 1 . 1 32 32 PRO CA C 13 62.312 0.3 . 1 . . . . A 732 PRO CA . 34643 1 409 . 1 . 1 32 32 PRO CB C 13 32.503 0.3 . 1 . . . . A 732 PRO CB . 34643 1 410 . 1 . 1 32 32 PRO CG C 13 27.759 0.3 . 1 . . . . A 732 PRO CG . 34643 1 411 . 1 . 1 32 32 PRO CD C 13 50.296 0.3 . 1 . . . . A 732 PRO CD . 34643 1 412 . 1 . 1 33 33 LEU H H 1 8.655 0.020 . 1 . . . . A 733 LEU H . 34643 1 413 . 1 . 1 33 33 LEU HA H 1 4.008 0.020 . 1 . . . . A 733 LEU HA . 34643 1 414 . 1 . 1 33 33 LEU HB2 H 1 1.778 0.020 . 2 . . . . A 733 LEU HB2 . 34643 1 415 . 1 . 1 33 33 LEU HB3 H 1 1.440 0.020 . 2 . . . . A 733 LEU HB3 . 34643 1 416 . 1 . 1 33 33 LEU HG H 1 1.680 0.020 . 1 . . . . A 733 LEU HG . 34643 1 417 . 1 . 1 33 33 LEU HD11 H 1 0.891 0.020 . 2 . . . . A 733 LEU HD11 . 34643 1 418 . 1 . 1 33 33 LEU HD12 H 1 0.891 0.020 . 2 . . . . A 733 LEU HD12 . 34643 1 419 . 1 . 1 33 33 LEU HD13 H 1 0.891 0.020 . 2 . . . . A 733 LEU HD13 . 34643 1 420 . 1 . 1 33 33 LEU HD21 H 1 0.750 0.020 . 2 . . . . A 733 LEU HD21 . 34643 1 421 . 1 . 1 33 33 LEU HD22 H 1 0.750 0.020 . 2 . . . . A 733 LEU HD22 . 34643 1 422 . 1 . 1 33 33 LEU HD23 H 1 0.750 0.020 . 2 . . . . A 733 LEU HD23 . 34643 1 423 . 1 . 1 33 33 LEU C C 13 176.159 0.3 . 1 . . . . A 733 LEU C . 34643 1 424 . 1 . 1 33 33 LEU CA C 13 56.968 0.3 . 1 . . . . A 733 LEU CA . 34643 1 425 . 1 . 1 33 33 LEU CB C 13 43.103 0.3 . 1 . . . . A 733 LEU CB . 34643 1 426 . 1 . 1 33 33 LEU CG C 13 27.652 0.3 . 1 . . . . A 733 LEU CG . 34643 1 427 . 1 . 1 33 33 LEU CD1 C 13 25.243 0.3 . 1 . . . . A 733 LEU CD1 . 34643 1 428 . 1 . 1 33 33 LEU CD2 C 13 24.472 0.3 . 1 . . . . A 733 LEU CD2 . 34643 1 429 . 1 . 1 33 33 LEU N N 15 121.675 0.3 . 1 . . . . A 733 LEU N . 34643 1 430 . 1 . 1 34 34 THR H H 1 6.987 0.020 . 1 . . . . A 734 THR H . 34643 1 431 . 1 . 1 34 34 THR HA H 1 4.087 0.020 . 1 . . . . A 734 THR HA . 34643 1 432 . 1 . 1 34 34 THR HB H 1 4.462 0.020 . 1 . . . . A 734 THR HB . 34643 1 433 . 1 . 1 34 34 THR HG21 H 1 1.189 0.020 . 1 . . . . A 734 THR HG21 . 34643 1 434 . 1 . 1 34 34 THR HG22 H 1 1.189 0.020 . 1 . . . . A 734 THR HG22 . 34643 1 435 . 1 . 1 34 34 THR HG23 H 1 1.189 0.020 . 1 . . . . A 734 THR HG23 . 34643 1 436 . 1 . 1 34 34 THR C C 13 176.061 0.3 . 1 . . . . A 734 THR C . 34643 1 437 . 1 . 1 34 34 THR CA C 13 61.146 0.3 . 1 . . . . A 734 THR CA . 34643 1 438 . 1 . 1 34 34 THR CB C 13 68.986 0.3 . 1 . . . . A 734 THR CB . 34643 1 439 . 1 . 1 34 34 THR CG2 C 13 22.018 0.3 . 1 . . . . A 734 THR CG2 . 34643 1 440 . 1 . 1 34 34 THR N N 15 100.363 0.3 . 1 . . . . A 734 THR N . 34643 1 441 . 1 . 1 35 35 ASP H H 1 7.575 0.020 . 1 . . . . A 735 ASP H . 34643 1 442 . 1 . 1 35 35 ASP HA H 1 4.541 0.020 . 1 . . . . A 735 ASP HA . 34643 1 443 . 1 . 1 35 35 ASP HB2 H 1 2.866 0.020 . 2 . . . . A 735 ASP HB2 . 34643 1 444 . 1 . 1 35 35 ASP HB3 H 1 2.502 0.020 . 2 . . . . A 735 ASP HB3 . 34643 1 445 . 1 . 1 35 35 ASP C C 13 175.298 0.3 . 1 . . . . A 735 ASP C . 34643 1 446 . 1 . 1 35 35 ASP CA C 13 55.001 0.3 . 1 . . . . A 735 ASP CA . 34643 1 447 . 1 . 1 35 35 ASP CB C 13 40.222 0.3 . 1 . . . . A 735 ASP CB . 34643 1 448 . 1 . 1 35 35 ASP N N 15 124.451 0.3 . 1 . . . . A 735 ASP N . 34643 1 449 . 1 . 1 36 36 GLN H H 1 7.850 0.020 . 1 . . . . A 736 GLN H . 34643 1 450 . 1 . 1 36 36 GLN HA H 1 4.416 0.020 . 1 . . . . A 736 GLN HA . 34643 1 451 . 1 . 1 36 36 GLN HB2 H 1 2.524 0.020 . 2 . . . . A 736 GLN HB2 . 34643 1 452 . 1 . 1 36 36 GLN HB3 H 1 1.867 0.020 . 2 . . . . A 736 GLN HB3 . 34643 1 453 . 1 . 1 36 36 GLN HG2 H 1 2.407 0.020 . 2 . . . . A 736 GLN HG2 . 34643 1 454 . 1 . 1 36 36 GLN HG3 H 1 2.146 0.020 . 2 . . . . A 736 GLN HG3 . 34643 1 455 . 1 . 1 36 36 GLN HE21 H 1 7.374 0.020 . 1 . . . . A 736 GLN HE21 . 34643 1 456 . 1 . 1 36 36 GLN HE22 H 1 6.714 0.020 . 1 . . . . A 736 GLN HE22 . 34643 1 457 . 1 . 1 36 36 GLN C C 13 177.317 0.3 . 1 . . . . A 736 GLN C . 34643 1 458 . 1 . 1 36 36 GLN CA C 13 55.528 0.3 . 1 . . . . A 736 GLN CA . 34643 1 459 . 1 . 1 36 36 GLN CB C 13 29.932 0.3 . 1 . . . . A 736 GLN CB . 34643 1 460 . 1 . 1 36 36 GLN CG C 13 35.014 0.3 . 1 . . . . A 736 GLN CG . 34643 1 461 . 1 . 1 36 36 GLN N N 15 115.362 0.3 . 1 . . . . A 736 GLN N . 34643 1 462 . 1 . 1 36 36 GLN NE2 N 15 111.217 0.3 . 1 . . . . A 736 GLN NE2 . 34643 1 463 . 1 . 1 37 37 VAL H H 1 8.760 0.020 . 1 . . . . A 737 VAL H . 34643 1 464 . 1 . 1 37 37 VAL HA H 1 3.369 0.020 . 1 . . . . A 737 VAL HA . 34643 1 465 . 1 . 1 37 37 VAL HB H 1 2.509 0.020 . 1 . . . . A 737 VAL HB . 34643 1 466 . 1 . 1 37 37 VAL HG11 H 1 0.976 0.020 . 2 . . . . A 737 VAL HG11 . 34643 1 467 . 1 . 1 37 37 VAL HG12 H 1 0.976 0.020 . 2 . . . . A 737 VAL HG12 . 34643 1 468 . 1 . 1 37 37 VAL HG13 H 1 0.976 0.020 . 2 . . . . A 737 VAL HG13 . 34643 1 469 . 1 . 1 37 37 VAL HG21 H 1 0.704 0.020 . 2 . . . . A 737 VAL HG21 . 34643 1 470 . 1 . 1 37 37 VAL HG22 H 1 0.704 0.020 . 2 . . . . A 737 VAL HG22 . 34643 1 471 . 1 . 1 37 37 VAL HG23 H 1 0.704 0.020 . 2 . . . . A 737 VAL HG23 . 34643 1 472 . 1 . 1 37 37 VAL C C 13 177.628 0.3 . 1 . . . . A 737 VAL C . 34643 1 473 . 1 . 1 37 37 VAL CA C 13 66.048 0.3 . 1 . . . . A 737 VAL CA . 34643 1 474 . 1 . 1 37 37 VAL CB C 13 31.297 0.3 . 1 . . . . A 737 VAL CB . 34643 1 475 . 1 . 1 37 37 VAL CG1 C 13 24.474 0.3 . 1 . . . . A 737 VAL CG1 . 34643 1 476 . 1 . 1 37 37 VAL CG2 C 13 21.810 0.3 . 1 . . . . A 737 VAL CG2 . 34643 1 477 . 1 . 1 37 37 VAL N N 15 122.742 0.3 . 1 . . . . A 737 VAL N . 34643 1 478 . 1 . 1 38 38 SER H H 1 8.356 0.020 . 1 . . . . A 738 SER H . 34643 1 479 . 1 . 1 38 38 SER HA H 1 3.687 0.020 . 1 . . . . A 738 SER HA . 34643 1 480 . 1 . 1 38 38 SER HB2 H 1 3.846 0.020 . 2 . . . . A 738 SER HB2 . 34643 1 481 . 1 . 1 38 38 SER HB3 H 1 3.725 0.020 . 2 . . . . A 738 SER HB3 . 34643 1 482 . 1 . 1 38 38 SER C C 13 176.357 0.3 . 1 . . . . A 738 SER C . 34643 1 483 . 1 . 1 38 38 SER CA C 13 61.598 0.3 . 1 . . . . A 738 SER CA . 34643 1 484 . 1 . 1 38 38 SER CB C 13 62.099 0.3 . 1 . . . . A 738 SER CB . 34643 1 485 . 1 . 1 38 38 SER N N 15 113.643 0.3 . 1 . . . . A 738 SER N . 34643 1 486 . 1 . 1 39 39 VAL H H 1 8.052 0.020 . 1 . . . . A 739 VAL H . 34643 1 487 . 1 . 1 39 39 VAL HA H 1 3.540 0.020 . 1 . . . . A 739 VAL HA . 34643 1 488 . 1 . 1 39 39 VAL HB H 1 2.140 0.020 . 1 . . . . A 739 VAL HB . 34643 1 489 . 1 . 1 39 39 VAL HG11 H 1 1.009 0.020 . 2 . . . . A 739 VAL HG11 . 34643 1 490 . 1 . 1 39 39 VAL HG12 H 1 1.009 0.020 . 2 . . . . A 739 VAL HG12 . 34643 1 491 . 1 . 1 39 39 VAL HG13 H 1 1.009 0.020 . 2 . . . . A 739 VAL HG13 . 34643 1 492 . 1 . 1 39 39 VAL HG21 H 1 0.898 0.020 . 2 . . . . A 739 VAL HG21 . 34643 1 493 . 1 . 1 39 39 VAL HG22 H 1 0.898 0.020 . 2 . . . . A 739 VAL HG22 . 34643 1 494 . 1 . 1 39 39 VAL HG23 H 1 0.898 0.020 . 2 . . . . A 739 VAL HG23 . 34643 1 495 . 1 . 1 39 39 VAL C C 13 178.432 0.3 . 1 . . . . A 739 VAL C . 34643 1 496 . 1 . 1 39 39 VAL CA C 13 66.288 0.3 . 1 . . . . A 739 VAL CA . 34643 1 497 . 1 . 1 39 39 VAL CB C 13 31.540 0.3 . 1 . . . . A 739 VAL CB . 34643 1 498 . 1 . 1 39 39 VAL CG1 C 13 22.838 0.3 . 1 . . . . A 739 VAL CG1 . 34643 1 499 . 1 . 1 39 39 VAL CG2 C 13 21.225 0.3 . 1 . . . . A 739 VAL CG2 . 34643 1 500 . 1 . 1 39 39 VAL N N 15 123.288 0.3 . 1 . . . . A 739 VAL N . 34643 1 501 . 1 . 1 40 40 ILE H H 1 7.772 0.020 . 1 . . . . A 740 ILE H . 34643 1 502 . 1 . 1 40 40 ILE HA H 1 3.128 0.020 . 1 . . . . A 740 ILE HA . 34643 1 503 . 1 . 1 40 40 ILE HB H 1 1.978 0.020 . 1 . . . . A 740 ILE HB . 34643 1 504 . 1 . 1 40 40 ILE HG12 H 1 0.742 0.020 . 2 . . . . A 740 ILE HG12 . 34643 1 505 . 1 . 1 40 40 ILE HG13 H 1 1.615 0.020 . 2 . . . . A 740 ILE HG13 . 34643 1 506 . 1 . 1 40 40 ILE HG21 H 1 0.791 0.020 . 1 . . . . A 740 ILE HG21 . 34643 1 507 . 1 . 1 40 40 ILE HG22 H 1 0.791 0.020 . 1 . . . . A 740 ILE HG22 . 34643 1 508 . 1 . 1 40 40 ILE HG23 H 1 0.791 0.020 . 1 . . . . A 740 ILE HG23 . 34643 1 509 . 1 . 1 40 40 ILE HD11 H 1 0.698 0.020 . 1 . . . . A 740 ILE HD11 . 34643 1 510 . 1 . 1 40 40 ILE HD12 H 1 0.698 0.020 . 1 . . . . A 740 ILE HD12 . 34643 1 511 . 1 . 1 40 40 ILE HD13 H 1 0.698 0.020 . 1 . . . . A 740 ILE HD13 . 34643 1 512 . 1 . 1 40 40 ILE C C 13 177.938 0.3 . 1 . . . . A 740 ILE C . 34643 1 513 . 1 . 1 40 40 ILE CA C 13 65.318 0.3 . 1 . . . . A 740 ILE CA . 34643 1 514 . 1 . 1 40 40 ILE CB C 13 37.073 0.3 . 1 . . . . A 740 ILE CB . 34643 1 515 . 1 . 1 40 40 ILE CG1 C 13 28.821 0.3 . 1 . . . . A 740 ILE CG1 . 34643 1 516 . 1 . 1 40 40 ILE CG2 C 13 17.650 0.3 . 1 . . . . A 740 ILE CG2 . 34643 1 517 . 1 . 1 40 40 ILE CD1 C 13 13.398 0.3 . 1 . . . . A 740 ILE CD1 . 34643 1 518 . 1 . 1 40 40 ILE N N 15 118.713 0.3 . 1 . . . . A 740 ILE N . 34643 1 519 . 1 . 1 41 41 LYS H H 1 6.847 0.020 . 1 . . . . A 741 LYS H . 34643 1 520 . 1 . 1 41 41 LYS HA H 1 4.743 0.020 . 1 . . . . A 741 LYS HA . 34643 1 521 . 1 . 1 41 41 LYS HB2 H 1 2.006 0.020 . 2 . . . . A 741 LYS HB2 . 34643 1 522 . 1 . 1 41 41 LYS HB3 H 1 1.395 0.020 . 2 . . . . A 741 LYS HB3 . 34643 1 523 . 1 . 1 41 41 LYS HG2 H 1 1.359 0.020 . 2 . . . . A 741 LYS HG2 . 34643 1 524 . 1 . 1 41 41 LYS HG3 H 1 1.243 0.020 . 2 . . . . A 741 LYS HG3 . 34643 1 525 . 1 . 1 41 41 LYS HD2 H 1 1.610 0.020 . 1 . . . . A 741 LYS HD2 . 34643 1 526 . 1 . 1 41 41 LYS HD3 H 1 1.610 0.020 . 1 . . . . A 741 LYS HD3 . 34643 1 527 . 1 . 1 41 41 LYS HE2 H 1 2.729 0.020 . 2 . . . . A 741 LYS HE2 . 34643 1 528 . 1 . 1 41 41 LYS HE3 H 1 2.575 0.020 . 2 . . . . A 741 LYS HE3 . 34643 1 529 . 1 . 1 41 41 LYS C C 13 180.324 0.3 . 1 . . . . A 741 LYS C . 34643 1 530 . 1 . 1 41 41 LYS CA C 13 58.763 0.3 . 1 . . . . A 741 LYS CA . 34643 1 531 . 1 . 1 41 41 LYS CB C 13 33.171 0.3 . 1 . . . . A 741 LYS CB . 34643 1 532 . 1 . 1 41 41 LYS CG C 13 26.671 0.3 . 1 . . . . A 741 LYS CG . 34643 1 533 . 1 . 1 41 41 LYS CD C 13 29.943 0.3 . 1 . . . . A 741 LYS CD . 34643 1 534 . 1 . 1 41 41 LYS CE C 13 42.417 0.3 . 1 . . . . A 741 LYS CE . 34643 1 535 . 1 . 1 41 41 LYS N N 15 115.495 0.3 . 1 . . . . A 741 LYS N . 34643 1 536 . 1 . 1 42 42 VAL H H 1 7.430 0.020 . 1 . . . . A 742 VAL H . 34643 1 537 . 1 . 1 42 42 VAL HA H 1 3.650 0.020 . 1 . . . . A 742 VAL HA . 34643 1 538 . 1 . 1 42 42 VAL HB H 1 2.264 0.020 . 1 . . . . A 742 VAL HB . 34643 1 539 . 1 . 1 42 42 VAL HG11 H 1 0.985 0.020 . 2 . . . . A 742 VAL HG11 . 34643 1 540 . 1 . 1 42 42 VAL HG12 H 1 0.985 0.020 . 2 . . . . A 742 VAL HG12 . 34643 1 541 . 1 . 1 42 42 VAL HG13 H 1 0.985 0.020 . 2 . . . . A 742 VAL HG13 . 34643 1 542 . 1 . 1 42 42 VAL HG21 H 1 0.892 0.020 . 2 . . . . A 742 VAL HG21 . 34643 1 543 . 1 . 1 42 42 VAL HG22 H 1 0.892 0.020 . 2 . . . . A 742 VAL HG22 . 34643 1 544 . 1 . 1 42 42 VAL HG23 H 1 0.892 0.020 . 2 . . . . A 742 VAL HG23 . 34643 1 545 . 1 . 1 42 42 VAL C C 13 179.011 0.3 . 1 . . . . A 742 VAL C . 34643 1 546 . 1 . 1 42 42 VAL CA C 13 66.594 0.3 . 1 . . . . A 742 VAL CA . 34643 1 547 . 1 . 1 42 42 VAL CB C 13 31.432 0.3 . 1 . . . . A 742 VAL CB . 34643 1 548 . 1 . 1 42 42 VAL CG1 C 13 22.245 0.3 . 1 . . . . A 742 VAL CG1 . 34643 1 549 . 1 . 1 42 42 VAL CG2 C 13 20.926 0.3 . 1 . . . . A 742 VAL CG2 . 34643 1 550 . 1 . 1 42 42 VAL N N 15 121.510 0.3 . 1 . . . . A 742 VAL N . 34643 1 551 . 1 . 1 43 43 LYS H H 1 7.765 0.020 . 1 . . . . A 743 LYS H . 34643 1 552 . 1 . 1 43 43 LYS HA H 1 3.853 0.020 . 1 . . . . A 743 LYS HA . 34643 1 553 . 1 . 1 43 43 LYS HB2 H 1 0.661 0.020 . 2 . . . . A 743 LYS HB2 . 34643 1 554 . 1 . 1 43 43 LYS HB3 H 1 1.076 0.020 . 2 . . . . A 743 LYS HB3 . 34643 1 555 . 1 . 1 43 43 LYS HG2 H 1 0.948 0.020 . 2 . . . . A 743 LYS HG2 . 34643 1 556 . 1 . 1 43 43 LYS HG3 H 1 1.313 0.020 . 2 . . . . A 743 LYS HG3 . 34643 1 557 . 1 . 1 43 43 LYS HD2 H 1 1.246 0.020 . 2 . . . . A 743 LYS HD2 . 34643 1 558 . 1 . 1 43 43 LYS HD3 H 1 1.117 0.020 . 2 . . . . A 743 LYS HD3 . 34643 1 559 . 1 . 1 43 43 LYS HE2 H 1 2.758 0.020 . 2 . . . . A 743 LYS HE2 . 34643 1 560 . 1 . 1 43 43 LYS HE3 H 1 2.612 0.020 . 2 . . . . A 743 LYS HE3 . 34643 1 561 . 1 . 1 43 43 LYS C C 13 180.437 0.3 . 1 . . . . A 743 LYS C . 34643 1 562 . 1 . 1 43 43 LYS CA C 13 58.307 0.3 . 1 . . . . A 743 LYS CA . 34643 1 563 . 1 . 1 43 43 LYS CB C 13 29.729 0.3 . 1 . . . . A 743 LYS CB . 34643 1 564 . 1 . 1 43 43 LYS CG C 13 24.620 0.3 . 1 . . . . A 743 LYS CG . 34643 1 565 . 1 . 1 43 43 LYS CD C 13 27.589 0.3 . 1 . . . . A 743 LYS CD . 34643 1 566 . 1 . 1 43 43 LYS CE C 13 41.995 0.3 . 1 . . . . A 743 LYS CE . 34643 1 567 . 1 . 1 43 43 LYS N N 15 119.894 0.3 . 1 . . . . A 743 LYS N . 34643 1 568 . 1 . 1 44 44 ILE H H 1 8.689 0.020 . 1 . . . . A 744 ILE H . 34643 1 569 . 1 . 1 44 44 ILE HA H 1 3.567 0.020 . 1 . . . . A 744 ILE HA . 34643 1 570 . 1 . 1 44 44 ILE HB H 1 2.195 0.020 . 1 . . . . A 744 ILE HB . 34643 1 571 . 1 . 1 44 44 ILE HG12 H 1 2.085 0.020 . 2 . . . . A 744 ILE HG12 . 34643 1 572 . 1 . 1 44 44 ILE HG13 H 1 0.751 0.020 . 2 . . . . A 744 ILE HG13 . 34643 1 573 . 1 . 1 44 44 ILE HG21 H 1 0.673 0.020 . 1 . . . . A 744 ILE HG21 . 34643 1 574 . 1 . 1 44 44 ILE HG22 H 1 0.673 0.020 . 1 . . . . A 744 ILE HG22 . 34643 1 575 . 1 . 1 44 44 ILE HG23 H 1 0.673 0.020 . 1 . . . . A 744 ILE HG23 . 34643 1 576 . 1 . 1 44 44 ILE HD11 H 1 0.884 0.020 . 1 . . . . A 744 ILE HD11 . 34643 1 577 . 1 . 1 44 44 ILE HD12 H 1 0.884 0.020 . 1 . . . . A 744 ILE HD12 . 34643 1 578 . 1 . 1 44 44 ILE HD13 H 1 0.884 0.020 . 1 . . . . A 744 ILE HD13 . 34643 1 579 . 1 . 1 44 44 ILE C C 13 179.943 0.3 . 1 . . . . A 744 ILE C . 34643 1 580 . 1 . 1 44 44 ILE CA C 13 66.184 0.3 . 1 . . . . A 744 ILE CA . 34643 1 581 . 1 . 1 44 44 ILE CB C 13 37.140 0.3 . 1 . . . . A 744 ILE CB . 34643 1 582 . 1 . 1 44 44 ILE CG1 C 13 30.265 0.3 . 1 . . . . A 744 ILE CG1 . 34643 1 583 . 1 . 1 44 44 ILE CG2 C 13 18.542 0.3 . 1 . . . . A 744 ILE CG2 . 34643 1 584 . 1 . 1 44 44 ILE CD1 C 13 16.719 0.3 . 1 . . . . A 744 ILE CD1 . 34643 1 585 . 1 . 1 44 44 ILE N N 15 121.066 0.3 . 1 . . . . A 744 ILE N . 34643 1 586 . 1 . 1 45 45 HIS H H 1 8.663 0.020 . 1 . . . . A 745 HIS H . 34643 1 587 . 1 . 1 45 45 HIS HA H 1 4.268 0.020 . 1 . . . . A 745 HIS HA . 34643 1 588 . 1 . 1 45 45 HIS HB2 H 1 3.413 0.020 . 2 . . . . A 745 HIS HB2 . 34643 1 589 . 1 . 1 45 45 HIS HB3 H 1 3.095 0.020 . 2 . . . . A 745 HIS HB3 . 34643 1 590 . 1 . 1 45 45 HIS HD2 H 1 7.971 0.020 . 1 . . . . A 745 HIS HD2 . 34643 1 591 . 1 . 1 45 45 HIS HE1 H 1 7.532 0.020 . 1 . . . . A 745 HIS HE1 . 34643 1 592 . 1 . 1 45 45 HIS C C 13 178.475 0.3 . 1 . . . . A 745 HIS C . 34643 1 593 . 1 . 1 45 45 HIS CA C 13 59.354 0.3 . 1 . . . . A 745 HIS CA . 34643 1 594 . 1 . 1 45 45 HIS CB C 13 29.567 0.3 . 1 . . . . A 745 HIS CB . 34643 1 595 . 1 . 1 45 45 HIS CD2 C 13 120.504 0.3 . 1 . . . . A 745 HIS CD2 . 34643 1 596 . 1 . 1 45 45 HIS CE1 C 13 137.606 0.3 . 1 . . . . A 745 HIS CE1 . 34643 1 597 . 1 . 1 45 45 HIS N N 15 126.030 0.3 . 1 . . . . A 745 HIS N . 34643 1 598 . 1 . 1 46 46 GLU H H 1 8.267 0.020 . 1 . . . . A 746 GLU H . 34643 1 599 . 1 . 1 46 46 GLU HA H 1 3.664 0.020 . 1 . . . . A 746 GLU HA . 34643 1 600 . 1 . 1 46 46 GLU HB2 H 1 2.157 0.020 . 2 . . . . A 746 GLU HB2 . 34643 1 601 . 1 . 1 46 46 GLU HB3 H 1 2.022 0.020 . 2 . . . . A 746 GLU HB3 . 34643 1 602 . 1 . 1 46 46 GLU HG2 H 1 2.444 0.020 . 2 . . . . A 746 GLU HG2 . 34643 1 603 . 1 . 1 46 46 GLU HG3 H 1 2.172 0.020 . 2 . . . . A 746 GLU HG3 . 34643 1 604 . 1 . 1 46 46 GLU C C 13 177.628 0.3 . 1 . . . . A 746 GLU C . 34643 1 605 . 1 . 1 46 46 GLU CA C 13 59.327 0.3 . 1 . . . . A 746 GLU CA . 34643 1 606 . 1 . 1 46 46 GLU CB C 13 29.559 0.3 . 1 . . . . A 746 GLU CB . 34643 1 607 . 1 . 1 46 46 GLU CG C 13 36.183 0.3 . 1 . . . . A 746 GLU CG . 34643 1 608 . 1 . 1 46 46 GLU N N 15 121.122 0.3 . 1 . . . . A 746 GLU N . 34643 1 609 . 1 . 1 47 47 ALA H H 1 7.583 0.020 . 1 . . . . A 747 ALA H . 34643 1 610 . 1 . 1 47 47 ALA HA H 1 4.391 0.020 . 1 . . . . A 747 ALA HA . 34643 1 611 . 1 . 1 47 47 ALA HB1 H 1 1.679 0.020 . 1 . . . . A 747 ALA HB1 . 34643 1 612 . 1 . 1 47 47 ALA HB2 H 1 1.679 0.020 . 1 . . . . A 747 ALA HB2 . 34643 1 613 . 1 . 1 47 47 ALA HB3 H 1 1.679 0.020 . 1 . . . . A 747 ALA HB3 . 34643 1 614 . 1 . 1 47 47 ALA C C 13 179.632 0.3 . 1 . . . . A 747 ALA C . 34643 1 615 . 1 . 1 47 47 ALA CA C 13 54.203 0.3 . 1 . . . . A 747 ALA CA . 34643 1 616 . 1 . 1 47 47 ALA CB C 13 21.258 0.3 . 1 . . . . A 747 ALA CB . 34643 1 617 . 1 . 1 47 47 ALA N N 15 116.801 0.3 . 1 . . . . A 747 ALA N . 34643 1 618 . 1 . 1 48 48 THR H H 1 8.249 0.020 . 1 . . . . A 748 THR H . 34643 1 619 . 1 . 1 48 48 THR HA H 1 4.728 0.020 . 1 . . . . A 748 THR HA . 34643 1 620 . 1 . 1 48 48 THR HB H 1 4.087 0.020 . 1 . . . . A 748 THR HB . 34643 1 621 . 1 . 1 48 48 THR HG21 H 1 1.179 0.020 . 1 . . . . A 748 THR HG21 . 34643 1 622 . 1 . 1 48 48 THR HG22 H 1 1.179 0.020 . 1 . . . . A 748 THR HG22 . 34643 1 623 . 1 . 1 48 48 THR HG23 H 1 1.179 0.020 . 1 . . . . A 748 THR HG23 . 34643 1 624 . 1 . 1 48 48 THR CA C 13 62.169 0.3 . 1 . . . . A 748 THR CA . 34643 1 625 . 1 . 1 48 48 THR CB C 13 73.754 0.3 . 1 . . . . A 748 THR CB . 34643 1 626 . 1 . 1 48 48 THR CG2 C 13 21.073 0.3 . 1 . . . . A 748 THR CG2 . 34643 1 627 . 1 . 1 48 48 THR N N 15 104.332 0.3 . 1 . . . . A 748 THR N . 34643 1 628 . 1 . 1 49 49 GLY H H 1 8.378 0.020 . 1 . . . . A 749 GLY H . 34643 1 629 . 1 . 1 49 49 GLY HA2 H 1 4.592 0.020 . 2 . . . . A 749 GLY HA2 . 34643 1 630 . 1 . 1 49 49 GLY HA3 H 1 3.508 0.020 . 2 . . . . A 749 GLY HA3 . 34643 1 631 . 1 . 1 49 49 GLY C C 13 173.054 0.3 . 1 . . . . A 749 GLY C . 34643 1 632 . 1 . 1 49 49 GLY CA C 13 45.091 0.3 . 1 . . . . A 749 GLY CA . 34643 1 633 . 1 . 1 49 49 GLY N N 15 111.990 0.3 . 1 . . . . A 749 GLY N . 34643 1 634 . 1 . 1 50 50 MET H H 1 7.637 0.020 . 1 . . . . A 750 MET H . 34643 1 635 . 1 . 1 50 50 MET HA H 1 2.657 0.020 . 1 . . . . A 750 MET HA . 34643 1 636 . 1 . 1 50 50 MET HB2 H 1 1.348 0.020 . 2 . . . . A 750 MET HB2 . 34643 1 637 . 1 . 1 50 50 MET HB3 H 1 0.924 0.020 . 2 . . . . A 750 MET HB3 . 34643 1 638 . 1 . 1 50 50 MET HG2 H 1 1.542 0.020 . 2 . . . . A 750 MET HG2 . 34643 1 639 . 1 . 1 50 50 MET HG3 H 1 0.611 0.020 . 2 . . . . A 750 MET HG3 . 34643 1 640 . 1 . 1 50 50 MET HE1 H 1 1.612 0.020 . 1 . . . . A 750 MET HE1 . 34643 1 641 . 1 . 1 50 50 MET HE2 H 1 1.612 0.020 . 1 . . . . A 750 MET HE2 . 34643 1 642 . 1 . 1 50 50 MET HE3 H 1 1.612 0.020 . 1 . . . . A 750 MET HE3 . 34643 1 643 . 1 . 1 50 50 MET CA C 13 53.670 0.3 . 1 . . . . A 750 MET CA . 34643 1 644 . 1 . 1 50 50 MET CB C 13 33.826 0.3 . 1 . . . . A 750 MET CB . 34643 1 645 . 1 . 1 50 50 MET CG C 13 30.659 0.3 . 1 . . . . A 750 MET CG . 34643 1 646 . 1 . 1 50 50 MET CE C 13 18.038 0.3 . 1 . . . . A 750 MET CE . 34643 1 647 . 1 . 1 50 50 MET N N 15 123.417 0.3 . 1 . . . . A 750 MET N . 34643 1 648 . 1 . 1 51 51 PRO HA H 1 3.665 0.020 . 1 . . . . A 751 PRO HA . 34643 1 649 . 1 . 1 51 51 PRO HB2 H 1 2.183 0.020 . 2 . . . . A 751 PRO HB2 . 34643 1 650 . 1 . 1 51 51 PRO HB3 H 1 1.614 0.020 . 2 . . . . A 751 PRO HB3 . 34643 1 651 . 1 . 1 51 51 PRO HG2 H 1 1.986 0.020 . 1 . . . . A 751 PRO HG2 . 34643 1 652 . 1 . 1 51 51 PRO HG3 H 1 1.986 0.020 . 1 . . . . A 751 PRO HG3 . 34643 1 653 . 1 . 1 51 51 PRO HD2 H 1 4.179 0.020 . 2 . . . . A 751 PRO HD2 . 34643 1 654 . 1 . 1 51 51 PRO HD3 H 1 2.799 0.020 . 2 . . . . A 751 PRO HD3 . 34643 1 655 . 1 . 1 51 51 PRO C C 13 177.628 0.3 . 1 . . . . A 751 PRO C . 34643 1 656 . 1 . 1 51 51 PRO CA C 13 62.604 0.3 . 1 . . . . A 751 PRO CA . 34643 1 657 . 1 . 1 51 51 PRO CB C 13 32.398 0.3 . 1 . . . . A 751 PRO CB . 34643 1 658 . 1 . 1 51 51 PRO CG C 13 27.585 0.3 . 1 . . . . A 751 PRO CG . 34643 1 659 . 1 . 1 51 51 PRO CD C 13 50.579 0.3 . 1 . . . . A 751 PRO CD . 34643 1 660 . 1 . 1 52 52 ALA H H 1 8.693 0.020 . 1 . . . . A 752 ALA H . 34643 1 661 . 1 . 1 52 52 ALA HA H 1 3.876 0.020 . 1 . . . . A 752 ALA HA . 34643 1 662 . 1 . 1 52 52 ALA HB1 H 1 1.180 0.020 . 1 . . . . A 752 ALA HB1 . 34643 1 663 . 1 . 1 52 52 ALA HB2 H 1 1.180 0.020 . 1 . . . . A 752 ALA HB2 . 34643 1 664 . 1 . 1 52 52 ALA HB3 H 1 1.180 0.020 . 1 . . . . A 752 ALA HB3 . 34643 1 665 . 1 . 1 52 52 ALA C C 13 180.437 0.3 . 1 . . . . A 752 ALA C . 34643 1 666 . 1 . 1 52 52 ALA CA C 13 55.486 0.3 . 1 . . . . A 752 ALA CA . 34643 1 667 . 1 . 1 52 52 ALA CB C 13 18.387 0.3 . 1 . . . . A 752 ALA CB . 34643 1 668 . 1 . 1 52 52 ALA N N 15 125.602 0.3 . 1 . . . . A 752 ALA N . 34643 1 669 . 1 . 1 53 53 GLY H H 1 8.666 0.020 . 1 . . . . A 753 GLY H . 34643 1 670 . 1 . 1 53 53 GLY HA2 H 1 3.883 0.020 . 2 . . . . A 753 GLY HA2 . 34643 1 671 . 1 . 1 53 53 GLY HA3 H 1 3.779 0.020 . 2 . . . . A 753 GLY HA3 . 34643 1 672 . 1 . 1 53 53 GLY C C 13 174.437 0.3 . 1 . . . . A 753 GLY C . 34643 1 673 . 1 . 1 53 53 GLY CA C 13 46.036 0.3 . 1 . . . . A 753 GLY CA . 34643 1 674 . 1 . 1 53 53 GLY N N 15 102.770 0.3 . 1 . . . . A 753 GLY N . 34643 1 675 . 1 . 1 54 54 LYS H H 1 7.406 0.020 . 1 . . . . A 754 LYS H . 34643 1 676 . 1 . 1 54 54 LYS HA H 1 4.409 0.020 . 1 . . . . A 754 LYS HA . 34643 1 677 . 1 . 1 54 54 LYS HB2 H 1 1.956 0.020 . 2 . . . . A 754 LYS HB2 . 34643 1 678 . 1 . 1 54 54 LYS HB3 H 1 1.383 0.020 . 2 . . . . A 754 LYS HB3 . 34643 1 679 . 1 . 1 54 54 LYS HG2 H 1 1.446 0.020 . 2 . . . . A 754 LYS HG2 . 34643 1 680 . 1 . 1 54 54 LYS HG3 H 1 1.367 0.020 . 2 . . . . A 754 LYS HG3 . 34643 1 681 . 1 . 1 54 54 LYS HD2 H 1 1.780 0.020 . 2 . . . . A 754 LYS HD2 . 34643 1 682 . 1 . 1 54 54 LYS HD3 H 1 1.659 0.020 . 2 . . . . A 754 LYS HD3 . 34643 1 683 . 1 . 1 54 54 LYS HE2 H 1 3.037 0.020 . 2 . . . . A 754 LYS HE2 . 34643 1 684 . 1 . 1 54 54 LYS HE3 H 1 3.149 0.020 . 2 . . . . A 754 LYS HE3 . 34643 1 685 . 1 . 1 54 54 LYS C C 13 175.030 0.3 . 1 . . . . A 754 LYS C . 34643 1 686 . 1 . 1 54 54 LYS CA C 13 54.511 0.3 . 1 . . . . A 754 LYS CA . 34643 1 687 . 1 . 1 54 54 LYS CB C 13 33.068 0.3 . 1 . . . . A 754 LYS CB . 34643 1 688 . 1 . 1 54 54 LYS CG C 13 25.160 0.3 . 1 . . . . A 754 LYS CG . 34643 1 689 . 1 . 1 54 54 LYS CD C 13 28.765 0.3 . 1 . . . . A 754 LYS CD . 34643 1 690 . 1 . 1 54 54 LYS CE C 13 42.274 0.3 . 1 . . . . A 754 LYS CE . 34643 1 691 . 1 . 1 54 54 LYS N N 15 116.240 0.3 . 1 . . . . A 754 LYS N . 34643 1 692 . 1 . 1 55 55 GLN H H 1 7.198 0.020 . 1 . . . . A 755 GLN H . 34643 1 693 . 1 . 1 55 55 GLN HA H 1 4.216 0.020 . 1 . . . . A 755 GLN HA . 34643 1 694 . 1 . 1 55 55 GLN HB2 H 1 2.167 0.020 . 2 . . . . A 755 GLN HB2 . 34643 1 695 . 1 . 1 55 55 GLN HB3 H 1 1.784 0.020 . 2 . . . . A 755 GLN HB3 . 34643 1 696 . 1 . 1 55 55 GLN HG2 H 1 2.438 0.020 . 2 . . . . A 755 GLN HG2 . 34643 1 697 . 1 . 1 55 55 GLN HG3 H 1 2.168 0.020 . 2 . . . . A 755 GLN HG3 . 34643 1 698 . 1 . 1 55 55 GLN HE21 H 1 6.330 0.020 . 1 . . . . A 755 GLN HE21 . 34643 1 699 . 1 . 1 55 55 GLN HE22 H 1 5.920 0.020 . 1 . . . . A 755 GLN HE22 . 34643 1 700 . 1 . 1 55 55 GLN C C 13 175.778 0.3 . 1 . . . . A 755 GLN C . 34643 1 701 . 1 . 1 55 55 GLN CA C 13 56.093 0.3 . 1 . . . . A 755 GLN CA . 34643 1 702 . 1 . 1 55 55 GLN CB C 13 31.287 0.3 . 1 . . . . A 755 GLN CB . 34643 1 703 . 1 . 1 55 55 GLN CG C 13 31.449 0.3 . 1 . . . . A 755 GLN CG . 34643 1 704 . 1 . 1 55 55 GLN N N 15 119.062 0.3 . 1 . . . . A 755 GLN N . 34643 1 705 . 1 . 1 55 55 GLN NE2 N 15 102.962 0.3 . 1 . . . . A 755 GLN NE2 . 34643 1 706 . 1 . 1 56 56 LYS H H 1 8.601 0.020 . 1 . . . . A 756 LYS H . 34643 1 707 . 1 . 1 56 56 LYS HA H 1 4.591 0.020 . 1 . . . . A 756 LYS HA . 34643 1 708 . 1 . 1 56 56 LYS HB2 H 1 1.283 0.020 . 2 . . . . A 756 LYS HB2 . 34643 1 709 . 1 . 1 56 56 LYS HB3 H 1 1.555 0.020 . 2 . . . . A 756 LYS HB3 . 34643 1 710 . 1 . 1 56 56 LYS HG2 H 1 1.198 0.020 . 2 . . . . A 756 LYS HG2 . 34643 1 711 . 1 . 1 56 56 LYS HG3 H 1 1.125 0.020 . 2 . . . . A 756 LYS HG3 . 34643 1 712 . 1 . 1 56 56 LYS HD2 H 1 1.317 0.020 . 1 . . . . A 756 LYS HD2 . 34643 1 713 . 1 . 1 56 56 LYS HD3 H 1 1.317 0.020 . 1 . . . . A 756 LYS HD3 . 34643 1 714 . 1 . 1 56 56 LYS HE2 H 1 2.433 0.020 . 2 . . . . A 756 LYS HE2 . 34643 1 715 . 1 . 1 56 56 LYS HE3 H 1 2.299 0.020 . 2 . . . . A 756 LYS HE3 . 34643 1 716 . 1 . 1 56 56 LYS C C 13 174.494 0.3 . 1 . . . . A 756 LYS C . 34643 1 717 . 1 . 1 56 56 LYS CA C 13 55.140 0.3 . 1 . . . . A 756 LYS CA . 34643 1 718 . 1 . 1 56 56 LYS CB C 13 35.261 0.3 . 1 . . . . A 756 LYS CB . 34643 1 719 . 1 . 1 56 56 LYS CG C 13 24.481 0.3 . 1 . . . . A 756 LYS CG . 34643 1 720 . 1 . 1 56 56 LYS CD C 13 29.573 0.3 . 1 . . . . A 756 LYS CD . 34643 1 721 . 1 . 1 56 56 LYS CE C 13 41.255 0.3 . 1 . . . . A 756 LYS CE . 34643 1 722 . 1 . 1 56 56 LYS N N 15 122.217 0.3 . 1 . . . . A 756 LYS N . 34643 1 723 . 1 . 1 57 57 LEU H H 1 8.602 0.020 . 1 . . . . A 757 LEU H . 34643 1 724 . 1 . 1 57 57 LEU HA H 1 5.227 0.020 . 1 . . . . A 757 LEU HA . 34643 1 725 . 1 . 1 57 57 LEU HB2 H 1 1.754 0.020 . 2 . . . . A 757 LEU HB2 . 34643 1 726 . 1 . 1 57 57 LEU HB3 H 1 1.000 0.020 . 2 . . . . A 757 LEU HB3 . 34643 1 727 . 1 . 1 57 57 LEU HG H 1 1.439 0.020 . 1 . . . . A 757 LEU HG . 34643 1 728 . 1 . 1 57 57 LEU HD11 H 1 0.718 0.020 . 2 . . . . A 757 LEU HD11 . 34643 1 729 . 1 . 1 57 57 LEU HD12 H 1 0.718 0.020 . 2 . . . . A 757 LEU HD12 . 34643 1 730 . 1 . 1 57 57 LEU HD13 H 1 0.718 0.020 . 2 . . . . A 757 LEU HD13 . 34643 1 731 . 1 . 1 57 57 LEU HD21 H 1 0.700 0.020 . 2 . . . . A 757 LEU HD21 . 34643 1 732 . 1 . 1 57 57 LEU HD22 H 1 0.700 0.020 . 2 . . . . A 757 LEU HD22 . 34643 1 733 . 1 . 1 57 57 LEU HD23 H 1 0.700 0.020 . 2 . . . . A 757 LEU HD23 . 34643 1 734 . 1 . 1 57 57 LEU C C 13 175.383 0.3 . 1 . . . . A 757 LEU C . 34643 1 735 . 1 . 1 57 57 LEU CA C 13 53.378 0.3 . 1 . . . . A 757 LEU CA . 34643 1 736 . 1 . 1 57 57 LEU CB C 13 43.527 0.3 . 1 . . . . A 757 LEU CB . 34643 1 737 . 1 . 1 57 57 LEU CG C 13 26.825 0.3 . 1 . . . . A 757 LEU CG . 34643 1 738 . 1 . 1 57 57 LEU CD1 C 13 26.431 0.3 . 1 . . . . A 757 LEU CD1 . 34643 1 739 . 1 . 1 57 57 LEU CD2 C 13 22.431 0.3 . 1 . . . . A 757 LEU CD2 . 34643 1 740 . 1 . 1 57 57 LEU N N 15 123.688 0.3 . 1 . . . . A 757 LEU N . 34643 1 741 . 1 . 1 58 58 GLN H H 1 8.811 0.020 . 1 . . . . A 758 GLN H . 34643 1 742 . 1 . 1 58 58 GLN HA H 1 5.072 0.020 . 1 . . . . A 758 GLN HA . 34643 1 743 . 1 . 1 58 58 GLN HB2 H 1 1.898 0.020 . 2 . . . . A 758 GLN HB2 . 34643 1 744 . 1 . 1 58 58 GLN HB3 H 1 1.654 0.020 . 2 . . . . A 758 GLN HB3 . 34643 1 745 . 1 . 1 58 58 GLN HG2 H 1 1.588 0.020 . 2 . . . . A 758 GLN HG2 . 34643 1 746 . 1 . 1 58 58 GLN HG3 H 1 1.347 0.020 . 2 . . . . A 758 GLN HG3 . 34643 1 747 . 1 . 1 58 58 GLN HE21 H 1 6.535 0.020 . 1 . . . . A 758 GLN HE21 . 34643 1 748 . 1 . 1 58 58 GLN HE22 H 1 6.234 0.020 . 1 . . . . A 758 GLN HE22 . 34643 1 749 . 1 . 1 58 58 GLN C C 13 173.745 0.3 . 1 . . . . A 758 GLN C . 34643 1 750 . 1 . 1 58 58 GLN CA C 13 54.008 0.3 . 1 . . . . A 758 GLN CA . 34643 1 751 . 1 . 1 58 58 GLN CB C 13 33.084 0.3 . 1 . . . . A 758 GLN CB . 34643 1 752 . 1 . 1 58 58 GLN CG C 13 34.074 0.3 . 1 . . . . A 758 GLN CG . 34643 1 753 . 1 . 1 58 58 GLN N N 15 122.955 0.3 . 1 . . . . A 758 GLN N . 34643 1 754 . 1 . 1 58 58 GLN NE2 N 15 110.237 0.3 . 1 . . . . A 758 GLN NE2 . 34643 1 755 . 1 . 1 59 59 TYR H H 1 9.103 0.020 . 1 . . . . A 759 TYR H . 34643 1 756 . 1 . 1 59 59 TYR HA H 1 5.073 0.020 . 1 . . . . A 759 TYR HA . 34643 1 757 . 1 . 1 59 59 TYR HB2 H 1 2.739 0.020 . 2 . . . . A 759 TYR HB2 . 34643 1 758 . 1 . 1 59 59 TYR HB3 H 1 2.553 0.020 . 2 . . . . A 759 TYR HB3 . 34643 1 759 . 1 . 1 59 59 TYR HD1 H 1 7.088 0.020 . 1 . . . . A 759 TYR HD1 . 34643 1 760 . 1 . 1 59 59 TYR HD2 H 1 7.088 0.020 . 1 . . . . A 759 TYR HD2 . 34643 1 761 . 1 . 1 59 59 TYR HE1 H 1 6.981 0.020 . 1 . . . . A 759 TYR HE1 . 34643 1 762 . 1 . 1 59 59 TYR HE2 H 1 6.981 0.020 . 1 . . . . A 759 TYR HE2 . 34643 1 763 . 1 . 1 59 59 TYR C C 13 173.336 0.3 . 1 . . . . A 759 TYR C . 34643 1 764 . 1 . 1 59 59 TYR CA C 13 55.914 0.3 . 1 . . . . A 759 TYR CA . 34643 1 765 . 1 . 1 59 59 TYR CB C 13 42.053 0.3 . 1 . . . . A 759 TYR CB . 34643 1 766 . 1 . 1 59 59 TYR CD1 C 13 133.080 0.3 . 1 . . . . A 759 TYR CD1 . 34643 1 767 . 1 . 1 59 59 TYR CD2 C 13 133.080 0.3 . 1 . . . . A 759 TYR CD2 . 34643 1 768 . 1 . 1 59 59 TYR CE1 C 13 119.228 0.3 . 1 . . . . A 759 TYR CE1 . 34643 1 769 . 1 . 1 59 59 TYR CE2 C 13 119.228 0.3 . 1 . . . . A 759 TYR CE2 . 34643 1 770 . 1 . 1 59 59 TYR N N 15 127.269 0.3 . 1 . . . . A 759 TYR N . 34643 1 771 . 1 . 1 60 60 GLU H H 1 9.265 0.020 . 1 . . . . A 760 GLU H . 34643 1 772 . 1 . 1 60 60 GLU HA H 1 3.508 0.020 . 1 . . . . A 760 GLU HA . 34643 1 773 . 1 . 1 60 60 GLU HB2 H 1 1.860 0.020 . 2 . . . . A 760 GLU HB2 . 34643 1 774 . 1 . 1 60 60 GLU HB3 H 1 1.344 0.020 . 2 . . . . A 760 GLU HB3 . 34643 1 775 . 1 . 1 60 60 GLU HG2 H 1 1.552 0.020 . 2 . . . . A 760 GLU HG2 . 34643 1 776 . 1 . 1 60 60 GLU HG3 H 1 1.290 0.020 . 2 . . . . A 760 GLU HG3 . 34643 1 777 . 1 . 1 60 60 GLU C C 13 176.159 0.3 . 1 . . . . A 760 GLU C . 34643 1 778 . 1 . 1 60 60 GLU CA C 13 56.548 0.3 . 1 . . . . A 760 GLU CA . 34643 1 779 . 1 . 1 60 60 GLU CB C 13 27.104 0.3 . 1 . . . . A 760 GLU CB . 34643 1 780 . 1 . 1 60 60 GLU CG C 13 35.230 0.3 . 1 . . . . A 760 GLU CG . 34643 1 781 . 1 . 1 60 60 GLU N N 15 126.083 0.3 . 1 . . . . A 760 GLU N . 34643 1 782 . 1 . 1 61 61 GLY H H 1 8.355 0.020 . 1 . . . . A 761 GLY H . 34643 1 783 . 1 . 1 61 61 GLY HA2 H 1 3.965 0.020 . 2 . . . . A 761 GLY HA2 . 34643 1 784 . 1 . 1 61 61 GLY HA3 H 1 3.291 0.020 . 2 . . . . A 761 GLY HA3 . 34643 1 785 . 1 . 1 61 61 GLY C C 13 173.802 0.3 . 1 . . . . A 761 GLY C . 34643 1 786 . 1 . 1 61 61 GLY CA C 13 45.092 0.3 . 1 . . . . A 761 GLY CA . 34643 1 787 . 1 . 1 61 61 GLY N N 15 103.025 0.3 . 1 . . . . A 761 GLY N . 34643 1 788 . 1 . 1 62 62 ILE H H 1 8.018 0.020 . 1 . . . . A 762 ILE H . 34643 1 789 . 1 . 1 62 62 ILE HA H 1 4.175 0.020 . 1 . . . . A 762 ILE HA . 34643 1 790 . 1 . 1 62 62 ILE HB H 1 2.040 0.020 . 1 . . . . A 762 ILE HB . 34643 1 791 . 1 . 1 62 62 ILE HG12 H 1 1.505 0.020 . 2 . . . . A 762 ILE HG12 . 34643 1 792 . 1 . 1 62 62 ILE HG13 H 1 1.146 0.020 . 2 . . . . A 762 ILE HG13 . 34643 1 793 . 1 . 1 62 62 ILE HG21 H 1 0.900 0.020 . 1 . . . . A 762 ILE HG21 . 34643 1 794 . 1 . 1 62 62 ILE HG22 H 1 0.900 0.020 . 1 . . . . A 762 ILE HG22 . 34643 1 795 . 1 . 1 62 62 ILE HG23 H 1 0.900 0.020 . 1 . . . . A 762 ILE HG23 . 34643 1 796 . 1 . 1 62 62 ILE HD11 H 1 0.970 0.020 . 1 . . . . A 762 ILE HD11 . 34643 1 797 . 1 . 1 62 62 ILE HD12 H 1 0.970 0.020 . 1 . . . . A 762 ILE HD12 . 34643 1 798 . 1 . 1 62 62 ILE HD13 H 1 0.970 0.020 . 1 . . . . A 762 ILE HD13 . 34643 1 799 . 1 . 1 62 62 ILE C C 13 175.948 0.3 . 1 . . . . A 762 ILE C . 34643 1 800 . 1 . 1 62 62 ILE CA C 13 59.475 0.3 . 1 . . . . A 762 ILE CA . 34643 1 801 . 1 . 1 62 62 ILE CB C 13 40.196 0.3 . 1 . . . . A 762 ILE CB . 34643 1 802 . 1 . 1 62 62 ILE CG1 C 13 26.819 0.3 . 1 . . . . A 762 ILE CG1 . 34643 1 803 . 1 . 1 62 62 ILE CG2 C 13 17.806 0.3 . 1 . . . . A 762 ILE CG2 . 34643 1 804 . 1 . 1 62 62 ILE CD1 C 13 13.224 0.3 . 1 . . . . A 762 ILE CD1 . 34643 1 805 . 1 . 1 62 62 ILE N N 15 120.960 0.3 . 1 . . . . A 762 ILE N . 34643 1 806 . 1 . 1 63 63 PHE H H 1 8.816 0.020 . 1 . . . . A 763 PHE H . 34643 1 807 . 1 . 1 63 63 PHE HA H 1 5.147 0.020 . 1 . . . . A 763 PHE HA . 34643 1 808 . 1 . 1 63 63 PHE HB2 H 1 3.137 0.020 . 2 . . . . A 763 PHE HB2 . 34643 1 809 . 1 . 1 63 63 PHE HB3 H 1 2.926 0.020 . 2 . . . . A 763 PHE HB3 . 34643 1 810 . 1 . 1 63 63 PHE HD1 H 1 7.236 0.020 . 1 . . . . A 763 PHE HD1 . 34643 1 811 . 1 . 1 63 63 PHE HD2 H 1 7.236 0.020 . 1 . . . . A 763 PHE HD2 . 34643 1 812 . 1 . 1 63 63 PHE HE1 H 1 7.332 0.020 . 1 . . . . A 763 PHE HE1 . 34643 1 813 . 1 . 1 63 63 PHE HE2 H 1 7.332 0.020 . 1 . . . . A 763 PHE HE2 . 34643 1 814 . 1 . 1 63 63 PHE HZ H 1 7.195 0.020 . 1 . . . . A 763 PHE HZ . 34643 1 815 . 1 . 1 63 63 PHE C C 13 176.159 0.3 . 1 . . . . A 763 PHE C . 34643 1 816 . 1 . 1 63 63 PHE CA C 13 57.705 0.3 . 1 . . . . A 763 PHE CA . 34643 1 817 . 1 . 1 63 63 PHE CB C 13 37.063 0.3 . 1 . . . . A 763 PHE CB . 34643 1 818 . 1 . 1 63 63 PHE CD1 C 13 131.479 0.3 . 1 . . . . A 763 PHE CD1 . 34643 1 819 . 1 . 1 63 63 PHE CD2 C 13 131.479 0.3 . 1 . . . . A 763 PHE CD2 . 34643 1 820 . 1 . 1 63 63 PHE CZ C 13 129.818 0.3 . 1 . . . . A 763 PHE CZ . 34643 1 821 . 1 . 1 63 63 PHE N N 15 125.497 0.3 . 1 . . . . A 763 PHE N . 34643 1 822 . 1 . 1 64 64 ILE H H 1 7.348 0.020 . 1 . . . . A 764 ILE H . 34643 1 823 . 1 . 1 64 64 ILE HA H 1 4.030 0.020 . 1 . . . . A 764 ILE HA . 34643 1 824 . 1 . 1 64 64 ILE HB H 1 1.428 0.020 . 1 . . . . A 764 ILE HB . 34643 1 825 . 1 . 1 64 64 ILE HG12 H 1 0.825 0.020 . 2 . . . . A 764 ILE HG12 . 34643 1 826 . 1 . 1 64 64 ILE HG13 H 1 0.465 0.020 . 2 . . . . A 764 ILE HG13 . 34643 1 827 . 1 . 1 64 64 ILE HG21 H 1 0.199 0.020 . 1 . . . . A 764 ILE HG21 . 34643 1 828 . 1 . 1 64 64 ILE HG22 H 1 0.199 0.020 . 1 . . . . A 764 ILE HG22 . 34643 1 829 . 1 . 1 64 64 ILE HG23 H 1 0.199 0.020 . 1 . . . . A 764 ILE HG23 . 34643 1 830 . 1 . 1 64 64 ILE HD11 H 1 0.465 0.020 . 1 . . . . A 764 ILE HD11 . 34643 1 831 . 1 . 1 64 64 ILE HD12 H 1 0.465 0.020 . 1 . . . . A 764 ILE HD12 . 34643 1 832 . 1 . 1 64 64 ILE HD13 H 1 0.465 0.020 . 1 . . . . A 764 ILE HD13 . 34643 1 833 . 1 . 1 64 64 ILE C C 13 174.917 0.3 . 1 . . . . A 764 ILE C . 34643 1 834 . 1 . 1 64 64 ILE CA C 13 61.743 0.3 . 1 . . . . A 764 ILE CA . 34643 1 835 . 1 . 1 64 64 ILE CB C 13 39.308 0.3 . 1 . . . . A 764 ILE CB . 34643 1 836 . 1 . 1 64 64 ILE CG1 C 13 24.301 0.3 . 1 . . . . A 764 ILE CG1 . 34643 1 837 . 1 . 1 64 64 ILE CG2 C 13 18.525 0.3 . 1 . . . . A 764 ILE CG2 . 34643 1 838 . 1 . 1 64 64 ILE CD1 C 13 13.964 0.3 . 1 . . . . A 764 ILE CD1 . 34643 1 839 . 1 . 1 64 64 ILE N N 15 119.145 0.3 . 1 . . . . A 764 ILE N . 34643 1 840 . 1 . 1 65 65 LYS H H 1 8.150 0.020 . 1 . . . . A 765 LYS H . 34643 1 841 . 1 . 1 65 65 LYS HA H 1 4.518 0.020 . 1 . . . . A 765 LYS HA . 34643 1 842 . 1 . 1 65 65 LYS HB2 H 1 1.751 0.020 . 2 . . . . A 765 LYS HB2 . 34643 1 843 . 1 . 1 65 65 LYS HB3 H 1 1.907 0.020 . 2 . . . . A 765 LYS HB3 . 34643 1 844 . 1 . 1 65 65 LYS HG2 H 1 1.589 0.020 . 2 . . . . A 765 LYS HG2 . 34643 1 845 . 1 . 1 65 65 LYS HG3 H 1 1.425 0.020 . 2 . . . . A 765 LYS HG3 . 34643 1 846 . 1 . 1 65 65 LYS HD2 H 1 1.636 0.020 . 1 . . . . A 765 LYS HD2 . 34643 1 847 . 1 . 1 65 65 LYS HD3 H 1 1.636 0.020 . 1 . . . . A 765 LYS HD3 . 34643 1 848 . 1 . 1 65 65 LYS HE2 H 1 3.007 0.020 . 1 . . . . A 765 LYS HE2 . 34643 1 849 . 1 . 1 65 65 LYS HE3 H 1 3.007 0.020 . 1 . . . . A 765 LYS HE3 . 34643 1 850 . 1 . 1 65 65 LYS C C 13 176.696 0.3 . 1 . . . . A 765 LYS C . 34643 1 851 . 1 . 1 65 65 LYS CA C 13 55.935 0.3 . 1 . . . . A 765 LYS CA . 34643 1 852 . 1 . 1 65 65 LYS CB C 13 34.447 0.3 . 1 . . . . A 765 LYS CB . 34643 1 853 . 1 . 1 65 65 LYS CG C 13 25.041 0.3 . 1 . . . . A 765 LYS CG . 34643 1 854 . 1 . 1 65 65 LYS CD C 13 29.151 0.3 . 1 . . . . A 765 LYS CD . 34643 1 855 . 1 . 1 65 65 LYS CE C 13 42.083 0.3 . 1 . . . . A 765 LYS CE . 34643 1 856 . 1 . 1 65 65 LYS N N 15 122.430 0.3 . 1 . . . . A 765 LYS N . 34643 1 857 . 1 . 1 66 66 ASP H H 1 8.374 0.020 . 1 . . . . A 766 ASP H . 34643 1 858 . 1 . 1 66 66 ASP HA H 1 4.071 0.020 . 1 . . . . A 766 ASP HA . 34643 1 859 . 1 . 1 66 66 ASP HB2 H 1 2.572 0.020 . 2 . . . . A 766 ASP HB2 . 34643 1 860 . 1 . 1 66 66 ASP HB3 H 1 2.500 0.020 . 2 . . . . A 766 ASP HB3 . 34643 1 861 . 1 . 1 66 66 ASP C C 13 175.764 0.3 . 1 . . . . A 766 ASP C . 34643 1 862 . 1 . 1 66 66 ASP CA C 13 57.221 0.3 . 1 . . . . A 766 ASP CA . 34643 1 863 . 1 . 1 66 66 ASP CB C 13 41.385 0.3 . 1 . . . . A 766 ASP CB . 34643 1 864 . 1 . 1 66 66 ASP N N 15 121.291 0.3 . 1 . . . . A 766 ASP N . 34643 1 865 . 1 . 1 67 67 SER H H 1 7.448 0.020 . 1 . . . . A 767 SER H . 34643 1 866 . 1 . 1 67 67 SER HA H 1 4.335 0.020 . 1 . . . . A 767 SER HA . 34643 1 867 . 1 . 1 67 67 SER HB2 H 1 3.961 0.020 . 2 . . . . A 767 SER HB2 . 34643 1 868 . 1 . 1 67 67 SER HB3 H 1 3.716 0.020 . 2 . . . . A 767 SER HB3 . 34643 1 869 . 1 . 1 67 67 SER C C 13 174.931 0.3 . 1 . . . . A 767 SER C . 34643 1 870 . 1 . 1 67 67 SER CA C 13 58.264 0.3 . 1 . . . . A 767 SER CA . 34643 1 871 . 1 . 1 67 67 SER CB C 13 63.169 0.3 . 1 . . . . A 767 SER CB . 34643 1 872 . 1 . 1 67 67 SER N N 15 106.379 0.3 . 1 . . . . A 767 SER N . 34643 1 873 . 1 . 1 68 68 ASN H H 1 7.448 0.020 . 1 . . . . A 768 ASN H . 34643 1 874 . 1 . 1 68 68 ASN HA H 1 4.923 0.020 . 1 . . . . A 768 ASN HA . 34643 1 875 . 1 . 1 68 68 ASN HB2 H 1 2.723 0.020 . 2 . . . . A 768 ASN HB2 . 34643 1 876 . 1 . 1 68 68 ASN HB3 H 1 2.272 0.020 . 2 . . . . A 768 ASN HB3 . 34643 1 877 . 1 . 1 68 68 ASN HD21 H 1 6.795 0.020 . 1 . . . . A 768 ASN HD21 . 34643 1 878 . 1 . 1 68 68 ASN HD22 H 1 6.278 0.020 . 1 . . . . A 768 ASN HD22 . 34643 1 879 . 1 . 1 68 68 ASN C C 13 173.774 0.3 . 1 . . . . A 768 ASN C . 34643 1 880 . 1 . 1 68 68 ASN CA C 13 51.442 0.3 . 1 . . . . A 768 ASN CA . 34643 1 881 . 1 . 1 68 68 ASN CB C 13 40.775 0.3 . 1 . . . . A 768 ASN CB . 34643 1 882 . 1 . 1 68 68 ASN N N 15 120.233 0.3 . 1 . . . . A 768 ASN N . 34643 1 883 . 1 . 1 68 68 ASN ND2 N 15 111.773 0.3 . 1 . . . . A 768 ASN ND2 . 34643 1 884 . 1 . 1 69 69 SER H H 1 8.265 0.020 . 1 . . . . A 769 SER H . 34643 1 885 . 1 . 1 69 69 SER HA H 1 5.188 0.020 . 1 . . . . A 769 SER HA . 34643 1 886 . 1 . 1 69 69 SER HB2 H 1 4.312 0.020 . 2 . . . . A 769 SER HB2 . 34643 1 887 . 1 . 1 69 69 SER HB3 H 1 3.866 0.020 . 2 . . . . A 769 SER HB3 . 34643 1 888 . 1 . 1 69 69 SER C C 13 174.846 0.3 . 1 . . . . A 769 SER C . 34643 1 889 . 1 . 1 69 69 SER CA C 13 56.705 0.3 . 1 . . . . A 769 SER CA . 34643 1 890 . 1 . 1 69 69 SER CB C 13 65.693 0.3 . 1 . . . . A 769 SER CB . 34643 1 891 . 1 . 1 69 69 SER N N 15 114.448 0.3 . 1 . . . . A 769 SER N . 34643 1 892 . 1 . 1 70 70 LEU H H 1 8.093 0.020 . 1 . . . . A 770 LEU H . 34643 1 893 . 1 . 1 70 70 LEU HA H 1 4.059 0.020 . 1 . . . . A 770 LEU HA . 34643 1 894 . 1 . 1 70 70 LEU HB2 H 1 1.990 0.020 . 2 . . . . A 770 LEU HB2 . 34643 1 895 . 1 . 1 70 70 LEU HB3 H 1 1.575 0.020 . 2 . . . . A 770 LEU HB3 . 34643 1 896 . 1 . 1 70 70 LEU HG H 1 1.851 0.020 . 1 . . . . A 770 LEU HG . 34643 1 897 . 1 . 1 70 70 LEU HD11 H 1 0.743 0.020 . 2 . . . . A 770 LEU HD11 . 34643 1 898 . 1 . 1 70 70 LEU HD12 H 1 0.743 0.020 . 2 . . . . A 770 LEU HD12 . 34643 1 899 . 1 . 1 70 70 LEU HD13 H 1 0.743 0.020 . 2 . . . . A 770 LEU HD13 . 34643 1 900 . 1 . 1 70 70 LEU HD21 H 1 0.672 0.020 . 2 . . . . A 770 LEU HD21 . 34643 1 901 . 1 . 1 70 70 LEU HD22 H 1 0.672 0.020 . 2 . . . . A 770 LEU HD22 . 34643 1 902 . 1 . 1 70 70 LEU HD23 H 1 0.672 0.020 . 2 . . . . A 770 LEU HD23 . 34643 1 903 . 1 . 1 70 70 LEU C C 13 180.818 0.3 . 1 . . . . A 770 LEU C . 34643 1 904 . 1 . 1 70 70 LEU CA C 13 59.803 0.3 . 1 . . . . A 770 LEU CA . 34643 1 905 . 1 . 1 70 70 LEU CB C 13 40.347 0.3 . 1 . . . . A 770 LEU CB . 34643 1 906 . 1 . 1 70 70 LEU CG C 13 28.780 0.3 . 1 . . . . A 770 LEU CG . 34643 1 907 . 1 . 1 70 70 LEU CD1 C 13 25.219 0.3 . 1 . . . . A 770 LEU CD1 . 34643 1 908 . 1 . 1 70 70 LEU CD2 C 13 24.251 0.3 . 1 . . . . A 770 LEU CD2 . 34643 1 909 . 1 . 1 70 70 LEU N N 15 119.095 0.3 . 1 . . . . A 770 LEU N . 34643 1 910 . 1 . 1 71 71 ALA H H 1 8.307 0.020 . 1 . . . . A 771 ALA H . 34643 1 911 . 1 . 1 71 71 ALA HA H 1 4.016 0.020 . 1 . . . . A 771 ALA HA . 34643 1 912 . 1 . 1 71 71 ALA HB1 H 1 1.337 0.020 . 1 . . . . A 771 ALA HB1 . 34643 1 913 . 1 . 1 71 71 ALA HB2 H 1 1.337 0.020 . 1 . . . . A 771 ALA HB2 . 34643 1 914 . 1 . 1 71 71 ALA HB3 H 1 1.337 0.020 . 1 . . . . A 771 ALA HB3 . 34643 1 915 . 1 . 1 71 71 ALA C C 13 181.044 0.3 . 1 . . . . A 771 ALA C . 34643 1 916 . 1 . 1 71 71 ALA CA C 13 54.431 0.3 . 1 . . . . A 771 ALA CA . 34643 1 917 . 1 . 1 71 71 ALA CB C 13 18.246 0.3 . 1 . . . . A 771 ALA CB . 34643 1 918 . 1 . 1 71 71 ALA N N 15 119.811 0.3 . 1 . . . . A 771 ALA N . 34643 1 919 . 1 . 1 72 72 TYR H H 1 8.070 0.020 . 1 . . . . A 772 TYR H . 34643 1 920 . 1 . 1 72 72 TYR HA H 1 3.782 0.020 . 1 . . . . A 772 TYR HA . 34643 1 921 . 1 . 1 72 72 TYR HB2 H 1 3.030 0.020 . 2 . . . . A 772 TYR HB2 . 34643 1 922 . 1 . 1 72 72 TYR HB3 H 1 2.980 0.020 . 2 . . . . A 772 TYR HB3 . 34643 1 923 . 1 . 1 72 72 TYR HD1 H 1 5.921 0.020 . 1 . . . . A 772 TYR HD1 . 34643 1 924 . 1 . 1 72 72 TYR HD2 H 1 5.921 0.020 . 1 . . . . A 772 TYR HD2 . 34643 1 925 . 1 . 1 72 72 TYR HE1 H 1 6.515 0.020 . 1 . . . . A 772 TYR HE1 . 34643 1 926 . 1 . 1 72 72 TYR HE2 H 1 6.515 0.020 . 1 . . . . A 772 TYR HE2 . 34643 1 927 . 1 . 1 72 72 TYR C C 13 176.498 0.3 . 1 . . . . A 772 TYR C . 34643 1 928 . 1 . 1 72 72 TYR CA C 13 61.246 0.3 . 1 . . . . A 772 TYR CA . 34643 1 929 . 1 . 1 72 72 TYR CB C 13 38.170 0.3 . 1 . . . . A 772 TYR CB . 34643 1 930 . 1 . 1 72 72 TYR CD1 C 13 132.961 0.3 . 1 . . . . A 772 TYR CD1 . 34643 1 931 . 1 . 1 72 72 TYR CD2 C 13 132.961 0.3 . 1 . . . . A 772 TYR CD2 . 34643 1 932 . 1 . 1 72 72 TYR CE1 C 13 118.028 0.3 . 1 . . . . A 772 TYR CE1 . 34643 1 933 . 1 . 1 72 72 TYR CE2 C 13 118.028 0.3 . 1 . . . . A 772 TYR CE2 . 34643 1 934 . 1 . 1 72 72 TYR N N 15 122.817 0.3 . 1 . . . . A 772 TYR N . 34643 1 935 . 1 . 1 73 73 TYR H H 1 6.965 0.020 . 1 . . . . A 773 TYR H . 34643 1 936 . 1 . 1 73 73 TYR HA H 1 4.413 0.020 . 1 . . . . A 773 TYR HA . 34643 1 937 . 1 . 1 73 73 TYR HB2 H 1 2.516 0.020 . 2 . . . . A 773 TYR HB2 . 34643 1 938 . 1 . 1 73 73 TYR HB3 H 1 3.608 0.020 . 2 . . . . A 773 TYR HB3 . 34643 1 939 . 1 . 1 73 73 TYR HD1 H 1 7.378 0.020 . 1 . . . . A 773 TYR HD1 . 34643 1 940 . 1 . 1 73 73 TYR HD2 H 1 7.378 0.020 . 1 . . . . A 773 TYR HD2 . 34643 1 941 . 1 . 1 73 73 TYR HE1 H 1 7.125 0.020 . 1 . . . . A 773 TYR HE1 . 34643 1 942 . 1 . 1 73 73 TYR HE2 H 1 7.125 0.020 . 1 . . . . A 773 TYR HE2 . 34643 1 943 . 1 . 1 73 73 TYR C C 13 174.042 0.3 . 1 . . . . A 773 TYR C . 34643 1 944 . 1 . 1 73 73 TYR CA C 13 58.694 0.3 . 1 . . . . A 773 TYR CA . 34643 1 945 . 1 . 1 73 73 TYR CB C 13 39.158 0.3 . 1 . . . . A 773 TYR CB . 34643 1 946 . 1 . 1 73 73 TYR CD1 C 13 133.783 0.3 . 1 . . . . A 773 TYR CD1 . 34643 1 947 . 1 . 1 73 73 TYR CD2 C 13 133.783 0.3 . 1 . . . . A 773 TYR CD2 . 34643 1 948 . 1 . 1 73 73 TYR CE1 C 13 118.976 0.3 . 1 . . . . A 773 TYR CE1 . 34643 1 949 . 1 . 1 73 73 TYR CE2 C 13 118.976 0.3 . 1 . . . . A 773 TYR CE2 . 34643 1 950 . 1 . 1 73 73 TYR N N 15 113.050 0.3 . 1 . . . . A 773 TYR N . 34643 1 951 . 1 . 1 74 74 ASN H H 1 8.343 0.020 . 1 . . . . A 774 ASN H . 34643 1 952 . 1 . 1 74 74 ASN HA H 1 4.338 0.020 . 1 . . . . A 774 ASN HA . 34643 1 953 . 1 . 1 74 74 ASN HB2 H 1 3.040 0.020 . 2 . . . . A 774 ASN HB2 . 34643 1 954 . 1 . 1 74 74 ASN HB3 H 1 2.764 0.020 . 2 . . . . A 774 ASN HB3 . 34643 1 955 . 1 . 1 74 74 ASN HD21 H 1 7.495 0.020 . 1 . . . . A 774 ASN HD21 . 34643 1 956 . 1 . 1 74 74 ASN HD22 H 1 6.699 0.020 . 1 . . . . A 774 ASN HD22 . 34643 1 957 . 1 . 1 74 74 ASN C C 13 174.677 0.3 . 1 . . . . A 774 ASN C . 34643 1 958 . 1 . 1 74 74 ASN CA C 13 53.858 0.3 . 1 . . . . A 774 ASN CA . 34643 1 959 . 1 . 1 74 74 ASN CB C 13 36.950 0.3 . 1 . . . . A 774 ASN CB . 34643 1 960 . 1 . 1 74 74 ASN N N 15 115.845 0.3 . 1 . . . . A 774 ASN N . 34643 1 961 . 1 . 1 74 74 ASN ND2 N 15 112.833 0.3 . 1 . . . . A 774 ASN ND2 . 34643 1 962 . 1 . 1 75 75 MET H H 1 6.753 0.020 . 1 . . . . A 775 MET H . 34643 1 963 . 1 . 1 75 75 MET HA H 1 3.975 0.020 . 1 . . . . A 775 MET HA . 34643 1 964 . 1 . 1 75 75 MET HB2 H 1 1.471 0.020 . 2 . . . . A 775 MET HB2 . 34643 1 965 . 1 . 1 75 75 MET HB3 H 1 1.417 0.020 . 2 . . . . A 775 MET HB3 . 34643 1 966 . 1 . 1 75 75 MET HG2 H 1 2.259 0.020 . 2 . . . . A 775 MET HG2 . 34643 1 967 . 1 . 1 75 75 MET HG3 H 1 1.752 0.020 . 2 . . . . A 775 MET HG3 . 34643 1 968 . 1 . 1 75 75 MET HE1 H 1 1.244 0.020 . 1 . . . . A 775 MET HE1 . 34643 1 969 . 1 . 1 75 75 MET HE2 H 1 1.244 0.020 . 1 . . . . A 775 MET HE2 . 34643 1 970 . 1 . 1 75 75 MET HE3 H 1 1.244 0.020 . 1 . . . . A 775 MET HE3 . 34643 1 971 . 1 . 1 75 75 MET C C 13 173.449 0.3 . 1 . . . . A 775 MET C . 34643 1 972 . 1 . 1 75 75 MET CA C 13 58.333 0.3 . 1 . . . . A 775 MET CA . 34643 1 973 . 1 . 1 75 75 MET CB C 13 32.656 0.3 . 1 . . . . A 775 MET CB . 34643 1 974 . 1 . 1 75 75 MET CG C 13 33.534 0.3 . 1 . . . . A 775 MET CG . 34643 1 975 . 1 . 1 75 75 MET CE C 13 17.239 0.3 . 1 . . . . A 775 MET CE . 34643 1 976 . 1 . 1 75 75 MET N N 15 114.710 0.3 . 1 . . . . A 775 MET N . 34643 1 977 . 1 . 1 76 76 ALA H H 1 7.455 0.020 . 1 . . . . A 776 ALA H . 34643 1 978 . 1 . 1 76 76 ALA HA H 1 4.525 0.020 . 1 . . . . A 776 ALA HA . 34643 1 979 . 1 . 1 76 76 ALA HB1 H 1 1.391 0.020 . 1 . . . . A 776 ALA HB1 . 34643 1 980 . 1 . 1 76 76 ALA HB2 H 1 1.391 0.020 . 1 . . . . A 776 ALA HB2 . 34643 1 981 . 1 . 1 76 76 ALA HB3 H 1 1.391 0.020 . 1 . . . . A 776 ALA HB3 . 34643 1 982 . 1 . 1 76 76 ALA C C 13 175.792 0.3 . 1 . . . . A 776 ALA C . 34643 1 983 . 1 . 1 76 76 ALA CA C 13 49.847 0.3 . 1 . . . . A 776 ALA CA . 34643 1 984 . 1 . 1 76 76 ALA CB C 13 21.954 0.3 . 1 . . . . A 776 ALA CB . 34643 1 985 . 1 . 1 76 76 ALA N N 15 122.666 0.3 . 1 . . . . A 776 ALA N . 34643 1 986 . 1 . 1 77 77 ASN H H 1 8.320 0.020 . 1 . . . . A 777 ASN H . 34643 1 987 . 1 . 1 77 77 ASN HA H 1 4.658 0.020 . 1 . . . . A 777 ASN HA . 34643 1 988 . 1 . 1 77 77 ASN HB2 H 1 2.749 0.020 . 2 . . . . A 777 ASN HB2 . 34643 1 989 . 1 . 1 77 77 ASN HB3 H 1 2.709 0.020 . 2 . . . . A 777 ASN HB3 . 34643 1 990 . 1 . 1 77 77 ASN HD21 H 1 7.649 0.020 . 1 . . . . A 777 ASN HD21 . 34643 1 991 . 1 . 1 77 77 ASN HD22 H 1 7.095 0.020 . 1 . . . . A 777 ASN HD22 . 34643 1 992 . 1 . 1 77 77 ASN C C 13 177.416 0.3 . 1 . . . . A 777 ASN C . 34643 1 993 . 1 . 1 77 77 ASN CA C 13 55.038 0.3 . 1 . . . . A 777 ASN CA . 34643 1 994 . 1 . 1 77 77 ASN CB C 13 38.571 0.3 . 1 . . . . A 777 ASN CB . 34643 1 995 . 1 . 1 77 77 ASN N N 15 115.562 0.3 . 1 . . . . A 777 ASN N . 34643 1 996 . 1 . 1 77 77 ASN ND2 N 15 113.843 0.3 . 1 . . . . A 777 ASN ND2 . 34643 1 997 . 1 . 1 78 78 GLY H H 1 9.323 0.020 . 1 . . . . A 778 GLY H . 34643 1 998 . 1 . 1 78 78 GLY HA2 H 1 4.226 0.020 . 2 . . . . A 778 GLY HA2 . 34643 1 999 . 1 . 1 78 78 GLY HA3 H 1 3.427 0.020 . 2 . . . . A 778 GLY HA3 . 34643 1 1000 . 1 . 1 78 78 GLY C C 13 173.717 0.3 . 1 . . . . A 778 GLY C . 34643 1 1001 . 1 . 1 78 78 GLY CA C 13 44.901 0.3 . 1 . . . . A 778 GLY CA . 34643 1 1002 . 1 . 1 78 78 GLY N N 15 113.391 0.3 . 1 . . . . A 778 GLY N . 34643 1 1003 . 1 . 1 79 79 ALA H H 1 7.900 0.020 . 1 . . . . A 779 ALA H . 34643 1 1004 . 1 . 1 79 79 ALA HA H 1 4.266 0.020 . 1 . . . . A 779 ALA HA . 34643 1 1005 . 1 . 1 79 79 ALA HB1 H 1 1.570 0.020 . 1 . . . . A 779 ALA HB1 . 34643 1 1006 . 1 . 1 79 79 ALA HB2 H 1 1.570 0.020 . 1 . . . . A 779 ALA HB2 . 34643 1 1007 . 1 . 1 79 79 ALA HB3 H 1 1.570 0.020 . 1 . . . . A 779 ALA HB3 . 34643 1 1008 . 1 . 1 79 79 ALA C C 13 174.931 0.3 . 1 . . . . A 779 ALA C . 34643 1 1009 . 1 . 1 79 79 ALA CA C 13 53.181 0.3 . 1 . . . . A 779 ALA CA . 34643 1 1010 . 1 . 1 79 79 ALA CB C 13 19.869 0.3 . 1 . . . . A 779 ALA CB . 34643 1 1011 . 1 . 1 79 79 ALA N N 15 124.078 0.3 . 1 . . . . A 779 ALA N . 34643 1 1012 . 1 . 1 80 80 VAL H H 1 8.353 0.020 . 1 . . . . A 780 VAL H . 34643 1 1013 . 1 . 1 80 80 VAL HA H 1 4.706 0.020 . 1 . . . . A 780 VAL HA . 34643 1 1014 . 1 . 1 80 80 VAL HB H 1 1.969 0.020 . 1 . . . . A 780 VAL HB . 34643 1 1015 . 1 . 1 80 80 VAL HG11 H 1 0.954 0.020 . 2 . . . . A 780 VAL HG11 . 34643 1 1016 . 1 . 1 80 80 VAL HG12 H 1 0.954 0.020 . 2 . . . . A 780 VAL HG12 . 34643 1 1017 . 1 . 1 80 80 VAL HG13 H 1 0.954 0.020 . 2 . . . . A 780 VAL HG13 . 34643 1 1018 . 1 . 1 80 80 VAL HG21 H 1 0.532 0.020 . 2 . . . . A 780 VAL HG21 . 34643 1 1019 . 1 . 1 80 80 VAL HG22 H 1 0.532 0.020 . 2 . . . . A 780 VAL HG22 . 34643 1 1020 . 1 . 1 80 80 VAL HG23 H 1 0.532 0.020 . 2 . . . . A 780 VAL HG23 . 34643 1 1021 . 1 . 1 80 80 VAL C C 13 175.086 0.3 . 1 . . . . A 780 VAL C . 34643 1 1022 . 1 . 1 80 80 VAL CA C 13 61.478 0.3 . 1 . . . . A 780 VAL CA . 34643 1 1023 . 1 . 1 80 80 VAL CB C 13 33.240 0.3 . 1 . . . . A 780 VAL CB . 34643 1 1024 . 1 . 1 80 80 VAL CG1 C 13 21.439 0.3 . 1 . . . . A 780 VAL CG1 . 34643 1 1025 . 1 . 1 80 80 VAL CG2 C 13 21.055 0.3 . 1 . . . . A 780 VAL CG2 . 34643 1 1026 . 1 . 1 80 80 VAL N N 15 120.224 0.3 . 1 . . . . A 780 VAL N . 34643 1 1027 . 1 . 1 81 81 ILE H H 1 9.311 0.020 . 1 . . . . A 781 ILE H . 34643 1 1028 . 1 . 1 81 81 ILE HA H 1 4.698 0.020 . 1 . . . . A 781 ILE HA . 34643 1 1029 . 1 . 1 81 81 ILE HB H 1 1.847 0.020 . 1 . . . . A 781 ILE HB . 34643 1 1030 . 1 . 1 81 81 ILE HG12 H 1 1.432 0.020 . 2 . . . . A 781 ILE HG12 . 34643 1 1031 . 1 . 1 81 81 ILE HG13 H 1 1.071 0.020 . 2 . . . . A 781 ILE HG13 . 34643 1 1032 . 1 . 1 81 81 ILE HG21 H 1 0.814 0.020 . 1 . . . . A 781 ILE HG21 . 34643 1 1033 . 1 . 1 81 81 ILE HG22 H 1 0.814 0.020 . 1 . . . . A 781 ILE HG22 . 34643 1 1034 . 1 . 1 81 81 ILE HG23 H 1 0.814 0.020 . 1 . . . . A 781 ILE HG23 . 34643 1 1035 . 1 . 1 81 81 ILE HD11 H 1 0.687 0.020 . 1 . . . . A 781 ILE HD11 . 34643 1 1036 . 1 . 1 81 81 ILE HD12 H 1 0.687 0.020 . 1 . . . . A 781 ILE HD12 . 34643 1 1037 . 1 . 1 81 81 ILE HD13 H 1 0.687 0.020 . 1 . . . . A 781 ILE HD13 . 34643 1 1038 . 1 . 1 81 81 ILE C C 13 174.931 0.3 . 1 . . . . A 781 ILE C . 34643 1 1039 . 1 . 1 81 81 ILE CA C 13 59.012 0.3 . 1 . . . . A 781 ILE CA . 34643 1 1040 . 1 . 1 81 81 ILE CB C 13 39.886 0.3 . 1 . . . . A 781 ILE CB . 34643 1 1041 . 1 . 1 81 81 ILE CG1 C 13 28.924 0.3 . 1 . . . . A 781 ILE CG1 . 34643 1 1042 . 1 . 1 81 81 ILE CG2 C 13 19.831 0.3 . 1 . . . . A 781 ILE CG2 . 34643 1 1043 . 1 . 1 81 81 ILE CD1 C 13 13.667 0.3 . 1 . . . . A 781 ILE CD1 . 34643 1 1044 . 1 . 1 81 81 ILE N N 15 128.252 0.3 . 1 . . . . A 781 ILE N . 34643 1 1045 . 1 . 1 82 82 HIS H H 1 9.439 0.020 . 1 . . . . A 782 HIS H . 34643 1 1046 . 1 . 1 82 82 HIS HA H 1 4.691 0.020 . 1 . . . . A 782 HIS HA . 34643 1 1047 . 1 . 1 82 82 HIS HB2 H 1 3.103 0.020 . 2 . . . . A 782 HIS HB2 . 34643 1 1048 . 1 . 1 82 82 HIS HB3 H 1 3.017 0.020 . 2 . . . . A 782 HIS HB3 . 34643 1 1049 . 1 . 1 82 82 HIS HD2 H 1 7.912 0.020 . 1 . . . . A 782 HIS HD2 . 34643 1 1050 . 1 . 1 82 82 HIS HE1 H 1 7.054 0.020 . 1 . . . . A 782 HIS HE1 . 34643 1 1051 . 1 . 1 82 82 HIS C C 13 174.183 0.3 . 1 . . . . A 782 HIS C . 34643 1 1052 . 1 . 1 82 82 HIS CA C 13 56.743 0.3 . 1 . . . . A 782 HIS CA . 34643 1 1053 . 1 . 1 82 82 HIS CB C 13 31.302 0.3 . 1 . . . . A 782 HIS CB . 34643 1 1054 . 1 . 1 82 82 HIS CD2 C 13 119.295 0.3 . 1 . . . . A 782 HIS CD2 . 34643 1 1055 . 1 . 1 82 82 HIS CE1 C 13 137.543 0.3 . 1 . . . . A 782 HIS CE1 . 34643 1 1056 . 1 . 1 82 82 HIS N N 15 125.805 0.3 . 1 . . . . A 782 HIS N . 34643 1 1057 . 1 . 1 83 83 LEU H H 1 7.739 0.020 . 1 . . . . A 783 LEU H . 34643 1 1058 . 1 . 1 83 83 LEU HA H 1 4.917 0.020 . 1 . . . . A 783 LEU HA . 34643 1 1059 . 1 . 1 83 83 LEU HB2 H 1 2.008 0.020 . 1 . . . . A 783 LEU HB2 . 34643 1 1060 . 1 . 1 83 83 LEU HB3 H 1 2.008 0.020 . 1 . . . . A 783 LEU HB3 . 34643 1 1061 . 1 . 1 83 83 LEU HG H 1 1.193 0.020 . 1 . . . . A 783 LEU HG . 34643 1 1062 . 1 . 1 83 83 LEU HD11 H 1 0.919 0.020 . 2 . . . . A 783 LEU HD11 . 34643 1 1063 . 1 . 1 83 83 LEU HD12 H 1 0.919 0.020 . 2 . . . . A 783 LEU HD12 . 34643 1 1064 . 1 . 1 83 83 LEU HD13 H 1 0.919 0.020 . 2 . . . . A 783 LEU HD13 . 34643 1 1065 . 1 . 1 83 83 LEU HD21 H 1 0.962 0.020 . 2 . . . . A 783 LEU HD21 . 34643 1 1066 . 1 . 1 83 83 LEU HD22 H 1 0.962 0.020 . 2 . . . . A 783 LEU HD22 . 34643 1 1067 . 1 . 1 83 83 LEU HD23 H 1 0.962 0.020 . 2 . . . . A 783 LEU HD23 . 34643 1 1068 . 1 . 1 83 83 LEU C C 13 173.350 0.3 . 1 . . . . A 783 LEU C . 34643 1 1069 . 1 . 1 83 83 LEU CA C 13 54.158 0.3 . 1 . . . . A 783 LEU CA . 34643 1 1070 . 1 . 1 83 83 LEU CB C 13 43.924 0.3 . 1 . . . . A 783 LEU CB . 34643 1 1071 . 1 . 1 83 83 LEU CG C 13 27.651 0.3 . 1 . . . . A 783 LEU CG . 34643 1 1072 . 1 . 1 83 83 LEU CD1 C 13 26.756 0.3 . 1 . . . . A 783 LEU CD1 . 34643 1 1073 . 1 . 1 83 83 LEU CD2 C 13 23.151 0.3 . 1 . . . . A 783 LEU CD2 . 34643 1 1074 . 1 . 1 83 83 LEU N N 15 126.170 0.3 . 1 . . . . A 783 LEU N . 34643 1 1075 . 1 . 1 84 84 ALA H H 1 9.135 0.020 . 1 . . . . A 784 ALA H . 34643 1 1076 . 1 . 1 84 84 ALA HA H 1 4.660 0.020 . 1 . . . . A 784 ALA HA . 34643 1 1077 . 1 . 1 84 84 ALA HB1 H 1 1.392 0.020 . 1 . . . . A 784 ALA HB1 . 34643 1 1078 . 1 . 1 84 84 ALA HB2 H 1 1.392 0.020 . 1 . . . . A 784 ALA HB2 . 34643 1 1079 . 1 . 1 84 84 ALA HB3 H 1 1.392 0.020 . 1 . . . . A 784 ALA HB3 . 34643 1 1080 . 1 . 1 84 84 ALA C C 13 174.818 0.3 . 1 . . . . A 784 ALA C . 34643 1 1081 . 1 . 1 84 84 ALA CA C 13 50.002 0.3 . 1 . . . . A 784 ALA CA . 34643 1 1082 . 1 . 1 84 84 ALA CB C 13 22.662 0.3 . 1 . . . . A 784 ALA CB . 34643 1 1083 . 1 . 1 84 84 ALA N N 15 129.059 0.3 . 1 . . . . A 784 ALA N . 34643 1 1084 . 1 . 1 85 85 LEU H H 1 8.334 0.020 . 1 . . . . A 785 LEU H . 34643 1 1085 . 1 . 1 85 85 LEU HA H 1 4.498 0.020 . 1 . . . . A 785 LEU HA . 34643 1 1086 . 1 . 1 85 85 LEU HB2 H 1 1.765 0.020 . 2 . . . . A 785 LEU HB2 . 34643 1 1087 . 1 . 1 85 85 LEU HB3 H 1 1.347 0.020 . 2 . . . . A 785 LEU HB3 . 34643 1 1088 . 1 . 1 85 85 LEU HG H 1 1.650 0.020 . 1 . . . . A 785 LEU HG . 34643 1 1089 . 1 . 1 85 85 LEU HD11 H 1 1.023 0.020 . 2 . . . . A 785 LEU HD11 . 34643 1 1090 . 1 . 1 85 85 LEU HD12 H 1 1.023 0.020 . 2 . . . . A 785 LEU HD12 . 34643 1 1091 . 1 . 1 85 85 LEU HD13 H 1 1.023 0.020 . 2 . . . . A 785 LEU HD13 . 34643 1 1092 . 1 . 1 85 85 LEU HD21 H 1 1.076 0.020 . 2 . . . . A 785 LEU HD21 . 34643 1 1093 . 1 . 1 85 85 LEU HD22 H 1 1.076 0.020 . 2 . . . . A 785 LEU HD22 . 34643 1 1094 . 1 . 1 85 85 LEU HD23 H 1 1.076 0.020 . 2 . . . . A 785 LEU HD23 . 34643 1 1095 . 1 . 1 85 85 LEU C C 13 176.837 0.3 . 1 . . . . A 785 LEU C . 34643 1 1096 . 1 . 1 85 85 LEU CA C 13 54.719 0.3 . 1 . . . . A 785 LEU CA . 34643 1 1097 . 1 . 1 85 85 LEU CB C 13 43.146 0.3 . 1 . . . . A 785 LEU CB . 34643 1 1098 . 1 . 1 85 85 LEU CG C 13 28.531 0.3 . 1 . . . . A 785 LEU CG . 34643 1 1099 . 1 . 1 85 85 LEU CD1 C 13 26.090 0.3 . 1 . . . . A 785 LEU CD1 . 34643 1 1100 . 1 . 1 85 85 LEU CD2 C 13 24.553 0.3 . 1 . . . . A 785 LEU CD2 . 34643 1 1101 . 1 . 1 85 85 LEU N N 15 120.218 0.3 . 1 . . . . A 785 LEU N . 34643 1 1102 . 1 . 1 86 86 LYS H H 1 8.331 0.020 . 1 . . . . A 786 LYS H . 34643 1 1103 . 1 . 1 86 86 LYS HA H 1 3.972 0.020 . 1 . . . . A 786 LYS HA . 34643 1 1104 . 1 . 1 86 86 LYS HB2 H 1 1.608 0.020 . 2 . . . . A 786 LYS HB2 . 34643 1 1105 . 1 . 1 86 86 LYS HB3 H 1 1.316 0.020 . 2 . . . . A 786 LYS HB3 . 34643 1 1106 . 1 . 1 86 86 LYS HG2 H 1 1.253 0.020 . 2 . . . . A 786 LYS HG2 . 34643 1 1107 . 1 . 1 86 86 LYS HG3 H 1 1.213 0.020 . 2 . . . . A 786 LYS HG3 . 34643 1 1108 . 1 . 1 86 86 LYS HD2 H 1 1.589 0.020 . 1 . . . . A 786 LYS HD2 . 34643 1 1109 . 1 . 1 86 86 LYS HD3 H 1 1.589 0.020 . 1 . . . . A 786 LYS HD3 . 34643 1 1110 . 1 . 1 86 86 LYS HE2 H 1 2.862 0.020 . 1 . . . . A 786 LYS HE2 . 34643 1 1111 . 1 . 1 86 86 LYS HE3 H 1 2.862 0.020 . 1 . . . . A 786 LYS HE3 . 34643 1 1112 . 1 . 1 86 86 LYS C C 13 175.383 0.3 . 1 . . . . A 786 LYS C . 34643 1 1113 . 1 . 1 86 86 LYS CA C 13 56.938 0.3 . 1 . . . . A 786 LYS CA . 34643 1 1114 . 1 . 1 86 86 LYS CB C 13 33.272 0.3 . 1 . . . . A 786 LYS CB . 34643 1 1115 . 1 . 1 86 86 LYS CG C 13 25.308 0.3 . 1 . . . . A 786 LYS CG . 34643 1 1116 . 1 . 1 86 86 LYS CD C 13 29.383 0.3 . 1 . . . . A 786 LYS CD . 34643 1 1117 . 1 . 1 86 86 LYS CE C 13 41.937 0.3 . 1 . . . . A 786 LYS CE . 34643 1 1118 . 1 . 1 86 86 LYS N N 15 125.561 0.3 . 1 . . . . A 786 LYS N . 34643 1 1119 . 1 . 1 87 87 GLU H H 1 8.545 0.020 . 1 . . . . A 787 GLU H . 34643 1 1120 . 1 . 1 87 87 GLU HA H 1 4.306 0.020 . 1 . . . . A 787 GLU HA . 34643 1 1121 . 1 . 1 87 87 GLU HB2 H 1 2.001 0.020 . 2 . . . . A 787 GLU HB2 . 34643 1 1122 . 1 . 1 87 87 GLU HB3 H 1 1.874 0.020 . 2 . . . . A 787 GLU HB3 . 34643 1 1123 . 1 . 1 87 87 GLU HG2 H 1 2.173 0.020 . 1 . . . . A 787 GLU HG2 . 34643 1 1124 . 1 . 1 87 87 GLU HG3 H 1 2.173 0.020 . 1 . . . . A 787 GLU HG3 . 34643 1 1125 . 1 . 1 87 87 GLU C C 13 175.933 0.3 . 1 . . . . A 787 GLU C . 34643 1 1126 . 1 . 1 87 87 GLU CA C 13 56.102 0.3 . 1 . . . . A 787 GLU CA . 34643 1 1127 . 1 . 1 87 87 GLU CB C 13 30.710 0.3 . 1 . . . . A 787 GLU CB . 34643 1 1128 . 1 . 1 87 87 GLU CG C 13 36.103 0.3 . 1 . . . . A 787 GLU CG . 34643 1 1129 . 1 . 1 87 87 GLU N N 15 124.076 0.3 . 1 . . . . A 787 GLU N . 34643 1 1130 . 1 . 1 88 88 ARG H H 1 8.464 0.020 . 1 . . . . A 788 ARG H . 34643 1 1131 . 1 . 1 88 88 ARG HA H 1 4.286 0.020 . 1 . . . . A 788 ARG HA . 34643 1 1132 . 1 . 1 88 88 ARG HB2 H 1 1.844 0.020 . 2 . . . . A 788 ARG HB2 . 34643 1 1133 . 1 . 1 88 88 ARG HB3 H 1 1.792 0.020 . 2 . . . . A 788 ARG HB3 . 34643 1 1134 . 1 . 1 88 88 ARG HG2 H 1 1.595 0.020 . 1 . . . . A 788 ARG HG2 . 34643 1 1135 . 1 . 1 88 88 ARG HG3 H 1 1.595 0.020 . 1 . . . . A 788 ARG HG3 . 34643 1 1136 . 1 . 1 88 88 ARG HD2 H 1 3.157 0.020 . 1 . . . . A 788 ARG HD2 . 34643 1 1137 . 1 . 1 88 88 ARG HD3 H 1 3.157 0.020 . 1 . . . . A 788 ARG HD3 . 34643 1 1138 . 1 . 1 88 88 ARG CA C 13 56.242 0.3 . 1 . . . . A 788 ARG CA . 34643 1 1139 . 1 . 1 88 88 ARG CB C 13 30.858 0.3 . 1 . . . . A 788 ARG CB . 34643 1 1140 . 1 . 1 88 88 ARG CG C 13 26.998 0.3 . 1 . . . . A 788 ARG CG . 34643 1 1141 . 1 . 1 88 88 ARG CD C 13 43.319 0.3 . 1 . . . . A 788 ARG CD . 34643 1 1142 . 1 . 1 88 88 ARG N N 15 122.367 0.3 . 1 . . . . A 788 ARG N . 34643 1 1143 . 1 . 1 89 89 GLY H H 1 8.505 0.020 . 1 . . . . A 789 GLY H . 34643 1 1144 . 1 . 1 89 89 GLY HA2 H 1 3.960 0.020 . 2 . . . . A 789 GLY HA2 . 34643 1 1145 . 1 . 1 89 89 GLY HA3 H 1 3.928 0.020 . 2 . . . . A 789 GLY HA3 . 34643 1 1146 . 1 . 1 89 89 GLY C C 13 174.437 0.3 . 1 . . . . A 789 GLY C . 34643 1 1147 . 1 . 1 89 89 GLY CA C 13 45.213 0.3 . 1 . . . . A 789 GLY CA . 34643 1 1148 . 1 . 1 89 89 GLY N N 15 110.323 0.3 . 1 . . . . A 789 GLY N . 34643 1 1149 . 1 . 1 90 90 GLY H H 1 8.293 0.020 . 1 . . . . A 790 GLY H . 34643 1 1150 . 1 . 1 90 90 GLY HA2 H 1 3.925 0.020 . 1 . . . . A 790 GLY HA2 . 34643 1 1151 . 1 . 1 90 90 GLY HA3 H 1 3.925 0.020 . 1 . . . . A 790 GLY HA3 . 34643 1 1152 . 1 . 1 90 90 GLY C C 13 173.957 0.3 . 1 . . . . A 790 GLY C . 34643 1 1153 . 1 . 1 90 90 GLY CA C 13 45.106 0.3 . 1 . . . . A 790 GLY CA . 34643 1 1154 . 1 . 1 90 90 GLY N N 15 108.821 0.3 . 1 . . . . A 790 GLY N . 34643 1 1155 . 1 . 1 91 91 ARG H H 1 8.203 0.020 . 1 . . . . A 791 ARG H . 34643 1 1156 . 1 . 1 91 91 ARG HA H 1 4.288 0.020 . 1 . . . . A 791 ARG HA . 34643 1 1157 . 1 . 1 91 91 ARG HB2 H 1 1.773 0.020 . 2 . . . . A 791 ARG HB2 . 34643 1 1158 . 1 . 1 91 91 ARG HB3 H 1 1.722 0.020 . 2 . . . . A 791 ARG HB3 . 34643 1 1159 . 1 . 1 91 91 ARG HG2 H 1 1.581 0.020 . 1 . . . . A 791 ARG HG2 . 34643 1 1160 . 1 . 1 91 91 ARG HG3 H 1 1.581 0.020 . 1 . . . . A 791 ARG HG3 . 34643 1 1161 . 1 . 1 91 91 ARG HD2 H 1 3.162 0.020 . 1 . . . . A 791 ARG HD2 . 34643 1 1162 . 1 . 1 91 91 ARG HD3 H 1 3.162 0.020 . 1 . . . . A 791 ARG HD3 . 34643 1 1163 . 1 . 1 91 91 ARG C C 13 176.244 0.3 . 1 . . . . A 791 ARG C . 34643 1 1164 . 1 . 1 91 91 ARG CA C 13 56.089 0.3 . 1 . . . . A 791 ARG CA . 34643 1 1165 . 1 . 1 91 91 ARG CB C 13 30.828 0.3 . 1 . . . . A 791 ARG CB . 34643 1 1166 . 1 . 1 91 91 ARG CG C 13 26.991 0.3 . 1 . . . . A 791 ARG CG . 34643 1 1167 . 1 . 1 91 91 ARG CD C 13 43.341 0.3 . 1 . . . . A 791 ARG CD . 34643 1 1168 . 1 . 1 91 91 ARG N N 15 120.637 0.3 . 1 . . . . A 791 ARG N . 34643 1 1169 . 1 . 1 92 92 LYS H H 1 8.379 0.020 . 1 . . . . A 792 LYS H . 34643 1 1170 . 1 . 1 92 92 LYS HA H 1 4.258 0.020 . 1 . . . . A 792 LYS HA . 34643 1 1171 . 1 . 1 92 92 LYS HB2 H 1 1.805 0.020 . 2 . . . . A 792 LYS HB2 . 34643 1 1172 . 1 . 1 92 92 LYS HB3 H 1 1.719 0.020 . 2 . . . . A 792 LYS HB3 . 34643 1 1173 . 1 . 1 92 92 LYS HG2 H 1 1.382 0.020 . 1 . . . . A 792 LYS HG2 . 34643 1 1174 . 1 . 1 92 92 LYS HG3 H 1 1.382 0.020 . 1 . . . . A 792 LYS HG3 . 34643 1 1175 . 1 . 1 92 92 LYS HD2 H 1 1.424 0.020 . 1 . . . . A 792 LYS HD2 . 34643 1 1176 . 1 . 1 92 92 LYS HD3 H 1 1.424 0.020 . 1 . . . . A 792 LYS HD3 . 34643 1 1177 . 1 . 1 92 92 LYS HE2 H 1 2.954 0.020 . 1 . . . . A 792 LYS HE2 . 34643 1 1178 . 1 . 1 92 92 LYS HE3 H 1 2.954 0.020 . 1 . . . . A 792 LYS HE3 . 34643 1 1179 . 1 . 1 92 92 LYS C C 13 175.510 0.3 . 1 . . . . A 792 LYS C . 34643 1 1180 . 1 . 1 92 92 LYS CA C 13 56.369 0.3 . 1 . . . . A 792 LYS CA . 34643 1 1181 . 1 . 1 92 92 LYS CB C 13 33.002 0.3 . 1 . . . . A 792 LYS CB . 34643 1 1182 . 1 . 1 92 92 LYS CG C 13 24.591 0.3 . 1 . . . . A 792 LYS CG . 34643 1 1183 . 1 . 1 92 92 LYS CD C 13 28.924 0.3 . 1 . . . . A 792 LYS CD . 34643 1 1184 . 1 . 1 92 92 LYS CE C 13 42.077 0.3 . 1 . . . . A 792 LYS CE . 34643 1 1185 . 1 . 1 92 92 LYS N N 15 123.648 0.3 . 1 . . . . A 792 LYS N . 34643 1 1186 . 1 . 1 93 93 LYS H H 1 7.913 0.020 . 1 . . . . A 793 LYS H . 34643 1 1187 . 1 . 1 93 93 LYS HA H 1 4.086 0.020 . 1 . . . . A 793 LYS HA . 34643 1 1188 . 1 . 1 93 93 LYS HB2 H 1 1.810 0.020 . 2 . . . . A 793 LYS HB2 . 34643 1 1189 . 1 . 1 93 93 LYS HB3 H 1 1.667 0.020 . 2 . . . . A 793 LYS HB3 . 34643 1 1190 . 1 . 1 93 93 LYS CA C 13 57.723 0.3 . 1 . . . . A 793 LYS CA . 34643 1 1191 . 1 . 1 93 93 LYS CB C 13 33.355 0.3 . 1 . . . . A 793 LYS CB . 34643 1 1192 . 1 . 1 93 93 LYS N N 15 128.000 0.3 . 1 . . . . A 793 LYS N . 34643 1 stop_ save_