data_50957 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50957 _Entry.Title ; 1H, 15 N, and 13 C resonance assignments of the SH3-like tandem domain of human KIN17 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-01 _Entry.Accession_date 2021-06-01 _Entry.Last_release_date 2021-06-02 _Entry.Original_release_date 2021-06-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Isabella Lourenco . O. . 0000-0002-8900-9997 50957 2 Flavio Seixas . A.V. . 0000-0002-0117-6919 50957 3 Fabio Almeida . C.L. . 0000-0001-6046-7006 50957 4 Marcelo Fossey . A. . 0000-0002-2012-388X 50957 5 Fatima Souza . P. . 0000-0002-4731-4977 50957 6 Icaro Caruso . P. . 0000-0003-4464-0520 50957 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Multiuser Center for Biomolecular Innovation (CMIB), Physics department, Institute of Biosciences, Letters and Exact Sciences' . 50957 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50957 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 587 50957 '15N chemical shifts' 127 50957 '1H chemical shifts' 954 50957 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 . . 2021-11-07 2021-06-01 update BMRB 'update entry citation' 50957 1 . . 2021-06-04 2021-06-01 original author 'original release' 50957 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50957 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34417717 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C resonance assignments of the SH3-like tandem domain of human KIN protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 449 _Citation.Page_last 453 _Citation.Year 2021 _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 Isabella Lourenco . O. . . 50957 1 2 Flavio Seixas . A.V. . . 50957 1 3 'Maria Aparecida' Fernandez M. A. . . 50957 1 4 Fabio Almeida . C.L. . . 50957 1 5 Marcelo Fossey . A. . . 50957 1 6 Fatima Souza . P. . . 50957 1 7 Icaro Caruso . P. . . 50957 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA/RNA-binding protein' 50957 1 'NMR assignment' 50957 1 'SH3-like tandem domain' 50957 1 'human KIN17 protein' 50957 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50957 _Assembly.ID 1 _Assembly.Name 'SH3 tandem domain of KIN protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 tandem domain of KIN protein' 1 $entity_1 . . yes native no no . . . 50957 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA/RNA-binding protein' 50957 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50957 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEEEKKRTARTDYWLQPEII VKIITKKLGEKYHKKKAIVK EVIDKYTAVVKMIDSGDKLK LDQTHLETVIPAPGKRILVL NGGYRGNEGTLESINEKTFS ATIVIETGPLKGRRVEGIQY EDISKLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA/RNA-binding protein' 50957 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 . GLY . 50957 1 2 . GLU . 50957 1 3 . GLU . 50957 1 4 . GLU . 50957 1 5 . LYS . 50957 1 6 . LYS . 50957 1 7 . ARG . 50957 1 8 . THR . 50957 1 9 . ALA . 50957 1 10 . ARG . 50957 1 11 . THR . 50957 1 12 . ASP . 50957 1 13 . TYR . 50957 1 14 . TRP . 50957 1 15 . LEU . 50957 1 16 . GLN . 50957 1 17 . PRO . 50957 1 18 . GLU . 50957 1 19 . ILE . 50957 1 20 . ILE . 50957 1 21 . VAL . 50957 1 22 . LYS . 50957 1 23 . ILE . 50957 1 24 . ILE . 50957 1 25 . THR . 50957 1 26 . LYS . 50957 1 27 . LYS . 50957 1 28 . LEU . 50957 1 29 . GLY . 50957 1 30 . GLU . 50957 1 31 . LYS . 50957 1 32 . TYR . 50957 1 33 . HIS . 50957 1 34 . LYS . 50957 1 35 . LYS . 50957 1 36 . LYS . 50957 1 37 . ALA . 50957 1 38 . ILE . 50957 1 39 . VAL . 50957 1 40 . LYS . 50957 1 41 . GLU . 50957 1 42 . VAL . 50957 1 43 . ILE . 50957 1 44 . ASP . 50957 1 45 . LYS . 50957 1 46 . TYR . 50957 1 47 . THR . 50957 1 48 . ALA . 50957 1 49 . VAL . 50957 1 50 . VAL . 50957 1 51 . LYS . 50957 1 52 . MET . 50957 1 53 . ILE . 50957 1 54 . ASP . 50957 1 55 . SER . 50957 1 56 . GLY . 50957 1 57 . ASP . 50957 1 58 . LYS . 50957 1 59 . LEU . 50957 1 60 . LYS . 50957 1 61 . LEU . 50957 1 62 . ASP . 50957 1 63 . GLN . 50957 1 64 . THR . 50957 1 65 . HIS . 50957 1 66 . LEU . 50957 1 67 . GLU . 50957 1 68 . THR . 50957 1 69 . VAL . 50957 1 70 . ILE . 50957 1 71 . PRO . 50957 1 72 . ALA . 50957 1 73 . PRO . 50957 1 74 . GLY . 50957 1 75 . LYS . 50957 1 76 . ARG . 50957 1 77 . ILE . 50957 1 78 . LEU . 50957 1 79 . VAL . 50957 1 80 . LEU . 50957 1 81 . ASN . 50957 1 82 . GLY . 50957 1 83 . GLY . 50957 1 84 . TYR . 50957 1 85 . ARG . 50957 1 86 . GLY . 50957 1 87 . ASN . 50957 1 88 . GLU . 50957 1 89 . GLY . 50957 1 90 . THR . 50957 1 91 . LEU . 50957 1 92 . GLU . 50957 1 93 . SER . 50957 1 94 . ILE . 50957 1 95 . ASN . 50957 1 96 . GLU . 50957 1 97 . LYS . 50957 1 98 . THR . 50957 1 99 . PHE . 50957 1 100 . SER . 50957 1 101 . ALA . 50957 1 102 . THR . 50957 1 103 . ILE . 50957 1 104 . VAL . 50957 1 105 . ILE . 50957 1 106 . GLU . 50957 1 107 . THR . 50957 1 108 . GLY . 50957 1 109 . PRO . 50957 1 110 . LEU . 50957 1 111 . LYS . 50957 1 112 . GLY . 50957 1 113 . ARG . 50957 1 114 . ARG . 50957 1 115 . VAL . 50957 1 116 . GLU . 50957 1 117 . GLY . 50957 1 118 . ILE . 50957 1 119 . GLN . 50957 1 120 . TYR . 50957 1 121 . GLU . 50957 1 122 . ASP . 50957 1 123 . ILE . 50957 1 124 . SER . 50957 1 125 . LYS . 50957 1 126 . LEU . 50957 1 127 . ALA . 50957 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 50957 1 . GLU 2 2 50957 1 . GLU 3 3 50957 1 . GLU 4 4 50957 1 . LYS 5 5 50957 1 . LYS 6 6 50957 1 . ARG 7 7 50957 1 . THR 8 8 50957 1 . ALA 9 9 50957 1 . ARG 10 10 50957 1 . THR 11 11 50957 1 . ASP 12 12 50957 1 . TYR 13 13 50957 1 . TRP 14 14 50957 1 . LEU 15 15 50957 1 . GLN 16 16 50957 1 . PRO 17 17 50957 1 . GLU 18 18 50957 1 . ILE 19 19 50957 1 . ILE 20 20 50957 1 . VAL 21 21 50957 1 . LYS 22 22 50957 1 . ILE 23 23 50957 1 . ILE 24 24 50957 1 . THR 25 25 50957 1 . LYS 26 26 50957 1 . LYS 27 27 50957 1 . LEU 28 28 50957 1 . GLY 29 29 50957 1 . GLU 30 30 50957 1 . LYS 31 31 50957 1 . TYR 32 32 50957 1 . HIS 33 33 50957 1 . LYS 34 34 50957 1 . LYS 35 35 50957 1 . LYS 36 36 50957 1 . ALA 37 37 50957 1 . ILE 38 38 50957 1 . VAL 39 39 50957 1 . LYS 40 40 50957 1 . GLU 41 41 50957 1 . VAL 42 42 50957 1 . ILE 43 43 50957 1 . ASP 44 44 50957 1 . LYS 45 45 50957 1 . TYR 46 46 50957 1 . THR 47 47 50957 1 . ALA 48 48 50957 1 . VAL 49 49 50957 1 . VAL 50 50 50957 1 . LYS 51 51 50957 1 . MET 52 52 50957 1 . ILE 53 53 50957 1 . ASP 54 54 50957 1 . SER 55 55 50957 1 . GLY 56 56 50957 1 . ASP 57 57 50957 1 . LYS 58 58 50957 1 . LEU 59 59 50957 1 . LYS 60 60 50957 1 . LEU 61 61 50957 1 . ASP 62 62 50957 1 . GLN 63 63 50957 1 . THR 64 64 50957 1 . HIS 65 65 50957 1 . LEU 66 66 50957 1 . GLU 67 67 50957 1 . THR 68 68 50957 1 . VAL 69 69 50957 1 . ILE 70 70 50957 1 . PRO 71 71 50957 1 . ALA 72 72 50957 1 . PRO 73 73 50957 1 . GLY 74 74 50957 1 . LYS 75 75 50957 1 . ARG 76 76 50957 1 . ILE 77 77 50957 1 . LEU 78 78 50957 1 . VAL 79 79 50957 1 . LEU 80 80 50957 1 . ASN 81 81 50957 1 . GLY 82 82 50957 1 . GLY 83 83 50957 1 . TYR 84 84 50957 1 . ARG 85 85 50957 1 . GLY 86 86 50957 1 . ASN 87 87 50957 1 . GLU 88 88 50957 1 . GLY 89 89 50957 1 . THR 90 90 50957 1 . LEU 91 91 50957 1 . GLU 92 92 50957 1 . SER 93 93 50957 1 . ILE 94 94 50957 1 . ASN 95 95 50957 1 . GLU 96 96 50957 1 . LYS 97 97 50957 1 . THR 98 98 50957 1 . PHE 99 99 50957 1 . SER 100 100 50957 1 . ALA 101 101 50957 1 . THR 102 102 50957 1 . ILE 103 103 50957 1 . VAL 104 104 50957 1 . ILE 105 105 50957 1 . GLU 106 106 50957 1 . THR 107 107 50957 1 . GLY 108 108 50957 1 . PRO 109 109 50957 1 . LEU 110 110 50957 1 . LYS 111 111 50957 1 . GLY 112 112 50957 1 . ARG 113 113 50957 1 . ARG 114 114 50957 1 . VAL 115 115 50957 1 . GLU 116 116 50957 1 . GLY 117 117 50957 1 . ILE 118 118 50957 1 . GLN 119 119 50957 1 . TYR 120 120 50957 1 . GLU 121 121 50957 1 . ASP 122 122 50957 1 . ILE 123 123 50957 1 . SER 124 124 50957 1 . LYS 125 125 50957 1 . LEU 126 126 50957 1 . ALA 127 127 50957 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50957 _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 . . . . . . . . . . . . . 50957 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50957 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pGEX-4T-1 . . . 50957 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50957 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 tandem domain of KIN protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.35 . . mM . . . . 50957 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50957 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50957 1 4 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 50957 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50957 1 6 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 50957 1 7 DSS 'natural abundance' . . . . . . 0.33 . . mM . . . . 50957 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 50957 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 50957 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50957 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR sample conditions' _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' 0.1 . M 50957 1 pH 6.5 . pH 50957 1 pressure 1 . atm 50957 1 temperature 298 . K 50957 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50957 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50957 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50957 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50957 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50957 _Software.ID 3 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50957 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50957 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50957 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50957 _Software.ID 5 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50957 5 'peak picking' . 50957 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 50957 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50957 _Experiment_list.ID 1 _Experiment_list.Details 'Experiments 4 to 14: NUS 13%.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 11 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 12 '2D HBCBCGCDHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 13 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50957 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 50957 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference _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 0.00 na indirect 0.251449530 . . . . . 50957 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50957 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50957 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 50957 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_KINprotein _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 4 '3D HNCO' . . . 50957 1 5 '3D HNCA' . . . 50957 1 6 '3D HNCACB' . . . 50957 1 7 '3D CBCA(CO)NH' . . . 50957 1 8 '3D C(CO)NH' . . . 50957 1 9 '3D H(CCO)NH' . . . 50957 1 10 '3D HCCH-TOCSY' . . . 50957 1 11 '3D (H)CCH-TOCSY' . . . 50957 1 12 '2D HBCBCGCDHD' . . . 50957 1 13 '2D HBCBCGCDCEHE' . . . 50957 1 14 '3D 1H-13C NOESY aromatic' . . . 50957 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50957 1 2 $software_2 . . 50957 1 3 $software_3 . . 50957 1 4 $software_4 . . 50957 1 5 $software_5 . . 50957 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 GLU HA H 1 4.284 0.000 . 1 . . . . . 2 GLU HA . 50957 1 2 . 1 . 1 2 2 GLU HB2 H 1 1.955 0.000 . 2 . . . . . 2 GLU HB2 . 50957 1 3 . 1 . 1 2 2 GLU HB3 H 1 2.086 0.000 . 2 . . . . . 2 GLU HB3 . 50957 1 4 . 1 . 1 2 2 GLU HG2 H 1 2.298 0.000 . 1 . . . . . 2 GLU HG2 . 50957 1 5 . 1 . 1 2 2 GLU HG3 H 1 2.298 0.000 . 1 . . . . . 2 GLU HG3 . 50957 1 6 . 1 . 1 2 2 GLU C C 13 176.965 0.000 . 1 . . . . . 2 GLU C . 50957 1 7 . 1 . 1 2 2 GLU CA C 13 57.127 0.002 . 1 . . . . . 2 GLU CA . 50957 1 8 . 1 . 1 2 2 GLU CB C 13 30.249 0.009 . 1 . . . . . 2 GLU CB . 50957 1 9 . 1 . 1 2 2 GLU CG C 13 36.199 0.000 . 1 . . . . . 2 GLU CG . 50957 1 10 . 1 . 1 3 3 GLU H H 1 8.857 0.003 . 1 . . . . . 3 GLU H . 50957 1 11 . 1 . 1 3 3 GLU HA H 1 4.193 0.000 . 1 . . . . . 3 GLU HA . 50957 1 12 . 1 . 1 3 3 GLU HB2 H 1 1.983 0.000 . 2 . . . . . 3 GLU HB2 . 50957 1 13 . 1 . 1 3 3 GLU HB3 H 1 2.034 0.000 . 2 . . . . . 3 GLU HB3 . 50957 1 14 . 1 . 1 3 3 GLU HG2 H 1 2.286 0.000 . 1 . . . . . 3 GLU HG2 . 50957 1 15 . 1 . 1 3 3 GLU HG3 H 1 2.286 0.000 . 1 . . . . . 3 GLU HG3 . 50957 1 16 . 1 . 1 3 3 GLU C C 13 177.091 0.000 . 1 . . . . . 3 GLU C . 50957 1 17 . 1 . 1 3 3 GLU CA C 13 57.562 0.015 . 1 . . . . . 3 GLU CA . 50957 1 18 . 1 . 1 3 3 GLU CB C 13 29.638 0.025 . 1 . . . . . 3 GLU CB . 50957 1 19 . 1 . 1 3 3 GLU CG C 13 36.155 0.000 . 1 . . . . . 3 GLU CG . 50957 1 20 . 1 . 1 3 3 GLU N N 15 121.417 0.025 . 1 . . . . . 3 GLU N . 50957 1 21 . 1 . 1 4 4 GLU H H 1 8.422 0.003 . 1 . . . . . 4 GLU H . 50957 1 22 . 1 . 1 4 4 GLU HA H 1 4.190 0.000 . 1 . . . . . 4 GLU HA . 50957 1 23 . 1 . 1 4 4 GLU HB2 H 1 2.024 0.000 . 1 . . . . . 4 GLU HB2 . 50957 1 24 . 1 . 1 4 4 GLU HB3 H 1 2.024 0.000 . 1 . . . . . 4 GLU HB3 . 50957 1 25 . 1 . 1 4 4 GLU HG2 H 1 2.284 0.000 . 1 . . . . . 4 GLU HG2 . 50957 1 26 . 1 . 1 4 4 GLU HG3 H 1 2.284 0.000 . 1 . . . . . 4 GLU HG3 . 50957 1 27 . 1 . 1 4 4 GLU C C 13 177.090 0.000 . 1 . . . . . 4 GLU C . 50957 1 28 . 1 . 1 4 4 GLU CA C 13 57.513 0.020 . 1 . . . . . 4 GLU CA . 50957 1 29 . 1 . 1 4 4 GLU CB C 13 29.978 0.020 . 1 . . . . . 4 GLU CB . 50957 1 30 . 1 . 1 4 4 GLU CG C 13 36.483 0.001 . 1 . . . . . 4 GLU CG . 50957 1 31 . 1 . 1 4 4 GLU N N 15 121.439 0.016 . 1 . . . . . 4 GLU N . 50957 1 32 . 1 . 1 5 5 LYS H H 1 8.184 0.003 . 1 . . . . . 5 LYS H . 50957 1 33 . 1 . 1 5 5 LYS HA H 1 4.245 0.000 . 1 . . . . . 5 LYS HA . 50957 1 34 . 1 . 1 5 5 LYS HB2 H 1 1.833 0.000 . 2 . . . . . 5 LYS HB2 . 50957 1 35 . 1 . 1 5 5 LYS HB3 H 1 1.787 0.000 . 2 . . . . . 5 LYS HB3 . 50957 1 36 . 1 . 1 5 5 LYS HG2 H 1 1.472 0.000 . 2 . . . . . 5 LYS HG2 . 50957 1 37 . 1 . 1 5 5 LYS HG3 H 1 1.409 0.000 . 2 . . . . . 5 LYS HG3 . 50957 1 38 . 1 . 1 5 5 LYS HD2 H 1 1.668 0.000 . 1 . . . . . 5 LYS HD2 . 50957 1 39 . 1 . 1 5 5 LYS HD3 H 1 1.668 0.000 . 1 . . . . . 5 LYS HD3 . 50957 1 40 . 1 . 1 5 5 LYS HE2 H 1 2.978 0.000 . 1 . . . . . 5 LYS HE2 . 50957 1 41 . 1 . 1 5 5 LYS HE3 H 1 2.978 0.000 . 1 . . . . . 5 LYS HE3 . 50957 1 42 . 1 . 1 5 5 LYS C C 13 177.016 0.000 . 1 . . . . . 5 LYS C . 50957 1 43 . 1 . 1 5 5 LYS CA C 13 56.890 0.026 . 1 . . . . . 5 LYS CA . 50957 1 44 . 1 . 1 5 5 LYS CB C 13 32.728 0.035 . 1 . . . . . 5 LYS CB . 50957 1 45 . 1 . 1 5 5 LYS CG C 13 24.955 0.000 . 1 . . . . . 5 LYS CG . 50957 1 46 . 1 . 1 5 5 LYS CD C 13 29.009 0.000 . 1 . . . . . 5 LYS CD . 50957 1 47 . 1 . 1 5 5 LYS CE C 13 42.207 0.000 . 1 . . . . . 5 LYS CE . 50957 1 48 . 1 . 1 5 5 LYS N N 15 121.516 0.031 . 1 . . . . . 5 LYS N . 50957 1 49 . 1 . 1 6 6 LYS H H 1 8.164 0.003 . 1 . . . . . 6 LYS H . 50957 1 50 . 1 . 1 6 6 LYS HA H 1 4.269 0.000 . 1 . . . . . 6 LYS HA . 50957 1 51 . 1 . 1 6 6 LYS HB2 H 1 1.837 0.000 . 2 . . . . . 6 LYS HB2 . 50957 1 52 . 1 . 1 6 6 LYS HB3 H 1 1.787 0.000 . 2 . . . . . 6 LYS HB3 . 50957 1 53 . 1 . 1 6 6 LYS HG2 H 1 1.475 0.000 . 2 . . . . . 6 LYS HG2 . 50957 1 54 . 1 . 1 6 6 LYS HG3 H 1 1.401 0.000 . 2 . . . . . 6 LYS HG3 . 50957 1 55 . 1 . 1 6 6 LYS HD2 H 1 1.676 0.000 . 1 . . . . . 6 LYS HD2 . 50957 1 56 . 1 . 1 6 6 LYS HD3 H 1 1.676 0.000 . 1 . . . . . 6 LYS HD3 . 50957 1 57 . 1 . 1 6 6 LYS HE2 H 1 2.984 0.000 . 1 . . . . . 6 LYS HE2 . 50957 1 58 . 1 . 1 6 6 LYS HE3 H 1 2.984 0.000 . 1 . . . . . 6 LYS HE3 . 50957 1 59 . 1 . 1 6 6 LYS C C 13 176.944 0.000 . 1 . . . . . 6 LYS C . 50957 1 60 . 1 . 1 6 6 LYS CA C 13 56.760 0.028 . 1 . . . . . 6 LYS CA . 50957 1 61 . 1 . 1 6 6 LYS CB C 13 32.922 0.037 . 1 . . . . . 6 LYS CB . 50957 1 62 . 1 . 1 6 6 LYS CG C 13 24.955 0.005 . 1 . . . . . 6 LYS CG . 50957 1 63 . 1 . 1 6 6 LYS CD C 13 29.043 0.001 . 1 . . . . . 6 LYS CD . 50957 1 64 . 1 . 1 6 6 LYS CE C 13 42.208 0.000 . 1 . . . . . 6 LYS CE . 50957 1 65 . 1 . 1 6 6 LYS N N 15 121.054 0.023 . 1 . . . . . 6 LYS N . 50957 1 66 . 1 . 1 7 7 ARG H H 1 8.277 0.004 . 1 . . . . . 7 ARG H . 50957 1 67 . 1 . 1 7 7 ARG HA H 1 4.345 0.001 . 1 . . . . . 7 ARG HA . 50957 1 68 . 1 . 1 7 7 ARG HB2 H 1 1.871 0.001 . 2 . . . . . 7 ARG HB2 . 50957 1 69 . 1 . 1 7 7 ARG HB3 H 1 1.799 0.000 . 2 . . . . . 7 ARG HB3 . 50957 1 70 . 1 . 1 7 7 ARG HG2 H 1 1.672 0.000 . 2 . . . . . 7 ARG HG2 . 50957 1 71 . 1 . 1 7 7 ARG HG3 H 1 1.608 0.000 . 2 . . . . . 7 ARG HG3 . 50957 1 72 . 1 . 1 7 7 ARG HD2 H 1 3.187 0.000 . 1 . . . . . 7 ARG HD2 . 50957 1 73 . 1 . 1 7 7 ARG HD3 H 1 3.187 0.000 . 1 . . . . . 7 ARG HD3 . 50957 1 74 . 1 . 1 7 7 ARG C C 13 176.568 0.000 . 1 . . . . . 7 ARG C . 50957 1 75 . 1 . 1 7 7 ARG CA C 13 56.480 0.037 . 1 . . . . . 7 ARG CA . 50957 1 76 . 1 . 1 7 7 ARG CB C 13 30.783 0.014 . 1 . . . . . 7 ARG CB . 50957 1 77 . 1 . 1 7 7 ARG CG C 13 27.246 0.024 . 1 . . . . . 7 ARG CG . 50957 1 78 . 1 . 1 7 7 ARG CD C 13 43.389 0.001 . 1 . . . . . 7 ARG CD . 50957 1 79 . 1 . 1 7 7 ARG N N 15 121.384 0.026 . 1 . . . . . 7 ARG N . 50957 1 80 . 1 . 1 8 8 THR H H 1 8.067 0.003 . 1 . . . . . 8 THR H . 50957 1 81 . 1 . 1 8 8 THR HA H 1 4.251 0.001 . 1 . . . . . 8 THR HA . 50957 1 82 . 1 . 1 8 8 THR HB H 1 4.204 0.000 . 1 . . . . . 8 THR HB . 50957 1 83 . 1 . 1 8 8 THR HG21 H 1 1.196 0.000 . 1 . . . . . 8 THR HG21 . 50957 1 84 . 1 . 1 8 8 THR HG22 H 1 1.196 0.000 . 1 . . . . . 8 THR HG22 . 50957 1 85 . 1 . 1 8 8 THR HG23 H 1 1.196 0.000 . 1 . . . . . 8 THR HG23 . 50957 1 86 . 1 . 1 8 8 THR C C 13 174.005 0.000 . 1 . . . . . 8 THR C . 50957 1 87 . 1 . 1 8 8 THR CA C 13 61.885 0.032 . 1 . . . . . 8 THR CA . 50957 1 88 . 1 . 1 8 8 THR CB C 13 69.732 0.029 . 1 . . . . . 8 THR CB . 50957 1 89 . 1 . 1 8 8 THR CG2 C 13 21.628 0.000 . 1 . . . . . 8 THR CG2 . 50957 1 90 . 1 . 1 8 8 THR N N 15 114.395 0.032 . 1 . . . . . 8 THR N . 50957 1 91 . 1 . 1 9 9 ALA H H 1 8.206 0.004 . 1 . . . . . 9 ALA H . 50957 1 92 . 1 . 1 9 9 ALA HA H 1 4.248 0.001 . 1 . . . . . 9 ALA HA . 50957 1 93 . 1 . 1 9 9 ALA HB1 H 1 1.338 0.001 . 1 . . . . . 9 ALA HB1 . 50957 1 94 . 1 . 1 9 9 ALA HB2 H 1 1.338 0.001 . 1 . . . . . 9 ALA HB2 . 50957 1 95 . 1 . 1 9 9 ALA HB3 H 1 1.338 0.001 . 1 . . . . . 9 ALA HB3 . 50957 1 96 . 1 . 1 9 9 ALA C C 13 177.159 0.000 . 1 . . . . . 9 ALA C . 50957 1 97 . 1 . 1 9 9 ALA CA C 13 52.643 0.023 . 1 . . . . . 9 ALA CA . 50957 1 98 . 1 . 1 9 9 ALA CB C 13 18.943 0.022 . 1 . . . . . 9 ALA CB . 50957 1 99 . 1 . 1 9 9 ALA N N 15 125.740 0.036 . 1 . . . . . 9 ALA N . 50957 1 100 . 1 . 1 10 10 ARG H H 1 8.166 0.003 . 1 . . . . . 10 ARG H . 50957 1 101 . 1 . 1 10 10 ARG HA H 1 4.545 0.001 . 1 . . . . . 10 ARG HA . 50957 1 102 . 1 . 1 10 10 ARG HB2 H 1 1.787 0.000 . 2 . . . . . 10 ARG HB2 . 50957 1 103 . 1 . 1 10 10 ARG HB3 H 1 1.659 0.000 . 2 . . . . . 10 ARG HB3 . 50957 1 104 . 1 . 1 10 10 ARG HG2 H 1 1.607 0.000 . 2 . . . . . 10 ARG HG2 . 50957 1 105 . 1 . 1 10 10 ARG HG3 H 1 1.386 0.000 . 2 . . . . . 10 ARG HG3 . 50957 1 106 . 1 . 1 10 10 ARG HD2 H 1 3.186 0.000 . 1 . . . . . 10 ARG HD2 . 50957 1 107 . 1 . 1 10 10 ARG HD3 H 1 3.186 0.000 . 1 . . . . . 10 ARG HD3 . 50957 1 108 . 1 . 1 10 10 ARG C C 13 176.773 0.000 . 1 . . . . . 10 ARG C . 50957 1 109 . 1 . 1 10 10 ARG CA C 13 55.814 0.016 . 1 . . . . . 10 ARG CA . 50957 1 110 . 1 . 1 10 10 ARG CB C 13 31.451 0.035 . 1 . . . . . 10 ARG CB . 50957 1 111 . 1 . 1 10 10 ARG CG C 13 27.688 0.004 . 1 . . . . . 10 ARG CG . 50957 1 112 . 1 . 1 10 10 ARG CD C 13 42.486 0.035 . 1 . . . . . 10 ARG CD . 50957 1 113 . 1 . 1 10 10 ARG N N 15 119.341 0.025 . 1 . . . . . 10 ARG N . 50957 1 114 . 1 . 1 11 11 THR H H 1 9.077 0.003 . 1 . . . . . 11 THR H . 50957 1 115 . 1 . 1 11 11 THR HA H 1 4.554 0.000 . 1 . . . . . 11 THR HA . 50957 1 116 . 1 . 1 11 11 THR HB H 1 3.386 0.007 . 1 . . . . . 11 THR HB . 50957 1 117 . 1 . 1 11 11 THR HG21 H 1 1.005 0.000 . 1 . . . . . 11 THR HG21 . 50957 1 118 . 1 . 1 11 11 THR HG22 H 1 1.005 0.000 . 1 . . . . . 11 THR HG22 . 50957 1 119 . 1 . 1 11 11 THR HG23 H 1 1.005 0.000 . 1 . . . . . 11 THR HG23 . 50957 1 120 . 1 . 1 11 11 THR C C 13 175.241 0.000 . 1 . . . . . 11 THR C . 50957 1 121 . 1 . 1 11 11 THR CA C 13 59.884 0.037 . 1 . . . . . 11 THR CA . 50957 1 122 . 1 . 1 11 11 THR CB C 13 71.486 0.027 . 1 . . . . . 11 THR CB . 50957 1 123 . 1 . 1 11 11 THR CG2 C 13 21.454 0.003 . 1 . . . . . 11 THR CG2 . 50957 1 124 . 1 . 1 11 11 THR N N 15 114.738 0.033 . 1 . . . . . 11 THR N . 50957 1 125 . 1 . 1 12 12 ASP H H 1 8.874 0.003 . 1 . . . . . 12 ASP H . 50957 1 126 . 1 . 1 12 12 ASP HA H 1 4.638 0.000 . 1 . . . . . 12 ASP HA . 50957 1 127 . 1 . 1 12 12 ASP HB2 H 1 3.006 0.000 . 2 . . . . . 12 ASP HB2 . 50957 1 128 . 1 . 1 12 12 ASP HB3 H 1 2.801 0.000 . 2 . . . . . 12 ASP HB3 . 50957 1 129 . 1 . 1 12 12 ASP C C 13 175.654 0.000 . 1 . . . . . 12 ASP C . 50957 1 130 . 1 . 1 12 12 ASP CA C 13 54.686 0.014 . 1 . . . . . 12 ASP CA . 50957 1 131 . 1 . 1 12 12 ASP CB C 13 40.340 0.013 . 1 . . . . . 12 ASP CB . 50957 1 132 . 1 . 1 12 12 ASP N N 15 119.964 0.021 . 1 . . . . . 12 ASP N . 50957 1 133 . 1 . 1 13 13 TYR H H 1 6.875 0.004 . 1 . . . . . 13 TYR H . 50957 1 134 . 1 . 1 13 13 TYR HA H 1 5.347 0.004 . 1 . . . . . 13 TYR HA . 50957 1 135 . 1 . 1 13 13 TYR HB2 H 1 2.773 0.003 . 2 . . . . . 13 TYR HB2 . 50957 1 136 . 1 . 1 13 13 TYR HB3 H 1 2.267 0.001 . 2 . . . . . 13 TYR HB3 . 50957 1 137 . 1 . 1 13 13 TYR HD1 H 1 7.157 0.000 . 1 . . . . . 13 TYR HD1 . 50957 1 138 . 1 . 1 13 13 TYR HD2 H 1 7.157 0.000 . 1 . . . . . 13 TYR HD2 . 50957 1 139 . 1 . 1 13 13 TYR HE1 H 1 6.861 0.001 . 1 . . . . . 13 TYR HE1 . 50957 1 140 . 1 . 1 13 13 TYR HE2 H 1 6.861 0.001 . 1 . . . . . 13 TYR HE2 . 50957 1 141 . 1 . 1 13 13 TYR C C 13 174.441 0.000 . 1 . . . . . 13 TYR C . 50957 1 142 . 1 . 1 13 13 TYR CA C 13 53.772 0.022 . 1 . . . . . 13 TYR CA . 50957 1 143 . 1 . 1 13 13 TYR CB C 13 38.528 0.018 . 1 . . . . . 13 TYR CB . 50957 1 144 . 1 . 1 13 13 TYR CD1 C 13 134.771 0.000 . 1 . . . . . 13 TYR CD1 . 50957 1 145 . 1 . 1 13 13 TYR CD2 C 13 134.771 0.000 . 1 . . . . . 13 TYR CD2 . 50957 1 146 . 1 . 1 13 13 TYR CE1 C 13 118.009 0.000 . 1 . . . . . 13 TYR CE1 . 50957 1 147 . 1 . 1 13 13 TYR CE2 C 13 118.009 0.000 . 1 . . . . . 13 TYR CE2 . 50957 1 148 . 1 . 1 13 13 TYR N N 15 115.575 0.033 . 1 . . . . . 13 TYR N . 50957 1 149 . 1 . 1 14 14 TRP H H 1 8.475 0.004 . 1 . . . . . 14 TRP H . 50957 1 150 . 1 . 1 14 14 TRP HA H 1 4.835 0.000 . 1 . . . . . 14 TRP HA . 50957 1 151 . 1 . 1 14 14 TRP HB2 H 1 3.327 0.000 . 2 . . . . . 14 TRP HB2 . 50957 1 152 . 1 . 1 14 14 TRP HB3 H 1 2.946 0.000 . 2 . . . . . 14 TRP HB3 . 50957 1 153 . 1 . 1 14 14 TRP HD1 H 1 7.139 0.002 . 1 . . . . . 14 TRP HD1 . 50957 1 154 . 1 . 1 14 14 TRP HE1 H 1 10.442 0.000 . 1 . . . . . 14 TRP HE1 . 50957 1 155 . 1 . 1 14 14 TRP HE3 H 1 7.344 0.000 . 1 . . . . . 14 TRP HE3 . 50957 1 156 . 1 . 1 14 14 TRP HZ2 H 1 7.679 0.000 . 1 . . . . . 14 TRP HZ2 . 50957 1 157 . 1 . 1 14 14 TRP HZ3 H 1 6.695 0.000 . 1 . . . . . 14 TRP HZ3 . 50957 1 158 . 1 . 1 14 14 TRP HH2 H 1 6.692 0.000 . 1 . . . . . 14 TRP HH2 . 50957 1 159 . 1 . 1 14 14 TRP C C 13 176.000 0.000 . 1 . . . . . 14 TRP C . 50957 1 160 . 1 . 1 14 14 TRP CA C 13 56.271 0.044 . 1 . . . . . 14 TRP CA . 50957 1 161 . 1 . 1 14 14 TRP CB C 13 31.497 0.038 . 1 . . . . . 14 TRP CB . 50957 1 162 . 1 . 1 14 14 TRP CD1 C 13 129.287 0.068 . 1 . . . . . 14 TRP CD1 . 50957 1 163 . 1 . 1 14 14 TRP CE3 C 13 120.223 0.000 . 1 . . . . . 14 TRP CE3 . 50957 1 164 . 1 . 1 14 14 TRP CZ2 C 13 115.321 0.000 . 1 . . . . . 14 TRP CZ2 . 50957 1 165 . 1 . 1 14 14 TRP CZ3 C 13 122.016 0.000 . 1 . . . . . 14 TRP CZ3 . 50957 1 166 . 1 . 1 14 14 TRP CH2 C 13 123.501 0.000 . 1 . . . . . 14 TRP CH2 . 50957 1 167 . 1 . 1 14 14 TRP N N 15 115.687 0.025 . 1 . . . . . 14 TRP N . 50957 1 168 . 1 . 1 14 14 TRP NE1 N 15 131.463 0.000 . 1 . . . . . 14 TRP NE1 . 50957 1 169 . 1 . 1 15 15 LEU H H 1 7.876 0.003 . 1 . . . . . 15 LEU H . 50957 1 170 . 1 . 1 15 15 LEU HA H 1 3.412 0.001 . 1 . . . . . 15 LEU HA . 50957 1 171 . 1 . 1 15 15 LEU HB2 H 1 1.369 0.000 . 2 . . . . . 15 LEU HB2 . 50957 1 172 . 1 . 1 15 15 LEU HB3 H 1 0.644 0.000 . 2 . . . . . 15 LEU HB3 . 50957 1 173 . 1 . 1 15 15 LEU HG H 1 0.466 0.001 . 1 . . . . . 15 LEU HG . 50957 1 174 . 1 . 1 15 15 LEU HD11 H 1 0.152 0.001 . 2 . . . . . 15 LEU HD11 . 50957 1 175 . 1 . 1 15 15 LEU HD12 H 1 0.152 0.001 . 2 . . . . . 15 LEU HD12 . 50957 1 176 . 1 . 1 15 15 LEU HD13 H 1 0.152 0.001 . 2 . . . . . 15 LEU HD13 . 50957 1 177 . 1 . 1 15 15 LEU HD21 H 1 0.365 0.002 . 2 . . . . . 15 LEU HD21 . 50957 1 178 . 1 . 1 15 15 LEU HD22 H 1 0.365 0.002 . 2 . . . . . 15 LEU HD22 . 50957 1 179 . 1 . 1 15 15 LEU HD23 H 1 0.365 0.002 . 2 . . . . . 15 LEU HD23 . 50957 1 180 . 1 . 1 15 15 LEU C C 13 176.028 0.000 . 1 . . . . . 15 LEU C . 50957 1 181 . 1 . 1 15 15 LEU CA C 13 57.670 0.021 . 1 . . . . . 15 LEU CA . 50957 1 182 . 1 . 1 15 15 LEU CB C 13 44.587 0.044 . 1 . . . . . 15 LEU CB . 50957 1 183 . 1 . 1 15 15 LEU CG C 13 26.445 0.002 . 1 . . . . . 15 LEU CG . 50957 1 184 . 1 . 1 15 15 LEU CD1 C 13 24.381 0.001 . 2 . . . . . 15 LEU CD1 . 50957 1 185 . 1 . 1 15 15 LEU CD2 C 13 26.133 0.013 . 2 . . . . . 15 LEU CD2 . 50957 1 186 . 1 . 1 15 15 LEU N N 15 123.131 0.024 . 1 . . . . . 15 LEU N . 50957 1 187 . 1 . 1 16 16 GLN H H 1 6.427 0.003 . 1 . . . . . 16 GLN H . 50957 1 188 . 1 . 1 16 16 GLN HA H 1 4.603 0.000 . 1 . . . . . 16 GLN HA . 50957 1 189 . 1 . 1 16 16 GLN HB2 H 1 1.280 0.000 . 2 . . . . . 16 GLN HB2 . 50957 1 190 . 1 . 1 16 16 GLN HB3 H 1 2.159 0.000 . 2 . . . . . 16 GLN HB3 . 50957 1 191 . 1 . 1 16 16 GLN HG2 H 1 2.446 0.000 . 2 . . . . . 16 GLN HG2 . 50957 1 192 . 1 . 1 16 16 GLN HG3 H 1 2.549 0.000 . 2 . . . . . 16 GLN HG3 . 50957 1 193 . 1 . 1 16 16 GLN HE21 H 1 6.662 0.000 . 1 . . . . . 16 GLN HE21 . 50957 1 194 . 1 . 1 16 16 GLN HE22 H 1 7.747 0.000 . 1 . . . . . 16 GLN HE22 . 50957 1 195 . 1 . 1 16 16 GLN CA C 13 52.672 0.000 . 1 . . . . . 16 GLN CA . 50957 1 196 . 1 . 1 16 16 GLN CB C 13 32.507 0.038 . 1 . . . . . 16 GLN CB . 50957 1 197 . 1 . 1 16 16 GLN CG C 13 32.975 0.000 . 1 . . . . . 16 GLN CG . 50957 1 198 . 1 . 1 16 16 GLN N N 15 114.813 0.036 . 1 . . . . . 16 GLN N . 50957 1 199 . 1 . 1 16 16 GLN NE2 N 15 111.292 0.000 . 1 . . . . . 16 GLN NE2 . 50957 1 200 . 1 . 1 17 17 PRO HA H 1 4.065 0.001 . 1 . . . . . 17 PRO HA . 50957 1 201 . 1 . 1 17 17 PRO HB2 H 1 2.108 0.000 . 2 . . . . . 17 PRO HB2 . 50957 1 202 . 1 . 1 17 17 PRO HB3 H 1 1.963 0.001 . 2 . . . . . 17 PRO HB3 . 50957 1 203 . 1 . 1 17 17 PRO HG2 H 1 1.789 0.000 . 2 . . . . . 17 PRO HG2 . 50957 1 204 . 1 . 1 17 17 PRO HG3 H 1 2.154 0.000 . 2 . . . . . 17 PRO HG3 . 50957 1 205 . 1 . 1 17 17 PRO HD2 H 1 3.640 0.000 . 2 . . . . . 17 PRO HD2 . 50957 1 206 . 1 . 1 17 17 PRO HD3 H 1 3.577 0.000 . 2 . . . . . 17 PRO HD3 . 50957 1 207 . 1 . 1 17 17 PRO C C 13 175.239 0.000 . 1 . . . . . 17 PRO C . 50957 1 208 . 1 . 1 17 17 PRO CA C 13 62.428 0.036 . 1 . . . . . 17 PRO CA . 50957 1 209 . 1 . 1 17 17 PRO CB C 13 32.541 0.020 . 1 . . . . . 17 PRO CB . 50957 1 210 . 1 . 1 17 17 PRO CG C 13 28.036 0.006 . 1 . . . . . 17 PRO CG . 50957 1 211 . 1 . 1 17 17 PRO CD C 13 49.997 0.008 . 1 . . . . . 17 PRO CD . 50957 1 212 . 1 . 1 18 18 GLU H H 1 9.172 0.003 . 1 . . . . . 18 GLU H . 50957 1 213 . 1 . 1 18 18 GLU HA H 1 3.716 0.000 . 1 . . . . . 18 GLU HA . 50957 1 214 . 1 . 1 18 18 GLU HB2 H 1 2.414 0.000 . 2 . . . . . 18 GLU HB2 . 50957 1 215 . 1 . 1 18 18 GLU HB3 H 1 2.248 0.002 . 2 . . . . . 18 GLU HB3 . 50957 1 216 . 1 . 1 18 18 GLU HG2 H 1 2.096 0.001 . 2 . . . . . 18 GLU HG2 . 50957 1 217 . 1 . 1 18 18 GLU HG3 H 1 2.343 0.000 . 2 . . . . . 18 GLU HG3 . 50957 1 218 . 1 . 1 18 18 GLU C C 13 175.036 0.000 . 1 . . . . . 18 GLU C . 50957 1 219 . 1 . 1 18 18 GLU CA C 13 57.809 0.036 . 1 . . . . . 18 GLU CA . 50957 1 220 . 1 . 1 18 18 GLU CB C 13 25.764 0.030 . 1 . . . . . 18 GLU CB . 50957 1 221 . 1 . 1 18 18 GLU CG C 13 35.847 0.007 . 1 . . . . . 18 GLU CG . 50957 1 222 . 1 . 1 18 18 GLU N N 15 109.270 0.030 . 1 . . . . . 18 GLU N . 50957 1 223 . 1 . 1 19 19 ILE H H 1 6.910 0.004 . 1 . . . . . 19 ILE H . 50957 1 224 . 1 . 1 19 19 ILE HA H 1 5.200 0.000 . 1 . . . . . 19 ILE HA . 50957 1 225 . 1 . 1 19 19 ILE HB H 1 1.947 0.000 . 1 . . . . . 19 ILE HB . 50957 1 226 . 1 . 1 19 19 ILE HG12 H 1 1.814 0.000 . 2 . . . . . 19 ILE HG12 . 50957 1 227 . 1 . 1 19 19 ILE HG13 H 1 1.398 0.000 . 2 . . . . . 19 ILE HG13 . 50957 1 228 . 1 . 1 19 19 ILE HG21 H 1 0.912 0.000 . 1 . . . . . 19 ILE HG21 . 50957 1 229 . 1 . 1 19 19 ILE HG22 H 1 0.912 0.000 . 1 . . . . . 19 ILE HG22 . 50957 1 230 . 1 . 1 19 19 ILE HG23 H 1 0.912 0.000 . 1 . . . . . 19 ILE HG23 . 50957 1 231 . 1 . 1 19 19 ILE HD11 H 1 1.109 0.001 . 1 . . . . . 19 ILE HD11 . 50957 1 232 . 1 . 1 19 19 ILE HD12 H 1 1.109 0.001 . 1 . . . . . 19 ILE HD12 . 50957 1 233 . 1 . 1 19 19 ILE HD13 H 1 1.109 0.001 . 1 . . . . . 19 ILE HD13 . 50957 1 234 . 1 . 1 19 19 ILE C C 13 174.477 0.000 . 1 . . . . . 19 ILE C . 50957 1 235 . 1 . 1 19 19 ILE CA C 13 59.458 0.022 . 1 . . . . . 19 ILE CA . 50957 1 236 . 1 . 1 19 19 ILE CB C 13 40.953 0.041 . 1 . . . . . 19 ILE CB . 50957 1 237 . 1 . 1 19 19 ILE CG1 C 13 23.966 0.002 . 1 . . . . . 19 ILE CG1 . 50957 1 238 . 1 . 1 19 19 ILE CG2 C 13 18.641 0.001 . 1 . . . . . 19 ILE CG2 . 50957 1 239 . 1 . 1 19 19 ILE CD1 C 13 15.482 0.010 . 1 . . . . . 19 ILE CD1 . 50957 1 240 . 1 . 1 19 19 ILE N N 15 106.550 0.036 . 1 . . . . . 19 ILE N . 50957 1 241 . 1 . 1 20 20 ILE H H 1 8.641 0.005 . 1 . . . . . 20 ILE H . 50957 1 242 . 1 . 1 20 20 ILE HA H 1 5.165 0.001 . 1 . . . . . 20 ILE HA . 50957 1 243 . 1 . 1 20 20 ILE HB H 1 1.622 0.000 . 1 . . . . . 20 ILE HB . 50957 1 244 . 1 . 1 20 20 ILE HG12 H 1 1.372 0.000 . 2 . . . . . 20 ILE HG12 . 50957 1 245 . 1 . 1 20 20 ILE HG13 H 1 1.198 0.001 . 2 . . . . . 20 ILE HG13 . 50957 1 246 . 1 . 1 20 20 ILE HG21 H 1 0.997 0.000 . 1 . . . . . 20 ILE HG21 . 50957 1 247 . 1 . 1 20 20 ILE HG22 H 1 0.997 0.000 . 1 . . . . . 20 ILE HG22 . 50957 1 248 . 1 . 1 20 20 ILE HG23 H 1 0.997 0.000 . 1 . . . . . 20 ILE HG23 . 50957 1 249 . 1 . 1 20 20 ILE HD11 H 1 0.784 0.000 . 1 . . . . . 20 ILE HD11 . 50957 1 250 . 1 . 1 20 20 ILE HD12 H 1 0.784 0.000 . 1 . . . . . 20 ILE HD12 . 50957 1 251 . 1 . 1 20 20 ILE HD13 H 1 0.784 0.000 . 1 . . . . . 20 ILE HD13 . 50957 1 252 . 1 . 1 20 20 ILE C C 13 175.128 0.000 . 1 . . . . . 20 ILE C . 50957 1 253 . 1 . 1 20 20 ILE CA C 13 58.739 0.022 . 1 . . . . . 20 ILE CA . 50957 1 254 . 1 . 1 20 20 ILE CB C 13 38.055 0.040 . 1 . . . . . 20 ILE CB . 50957 1 255 . 1 . 1 20 20 ILE CG1 C 13 28.365 0.009 . 1 . . . . . 20 ILE CG1 . 50957 1 256 . 1 . 1 20 20 ILE CG2 C 13 17.707 0.006 . 1 . . . . . 20 ILE CG2 . 50957 1 257 . 1 . 1 20 20 ILE CD1 C 13 12.135 0.002 . 1 . . . . . 20 ILE CD1 . 50957 1 258 . 1 . 1 20 20 ILE N N 15 121.060 0.049 . 1 . . . . . 20 ILE N . 50957 1 259 . 1 . 1 21 21 VAL H H 1 9.008 0.004 . 1 . . . . . 21 VAL H . 50957 1 260 . 1 . 1 21 21 VAL HA H 1 5.105 0.002 . 1 . . . . . 21 VAL HA . 50957 1 261 . 1 . 1 21 21 VAL HB H 1 2.389 0.000 . 1 . . . . . 21 VAL HB . 50957 1 262 . 1 . 1 21 21 VAL HG11 H 1 0.981 0.000 . 2 . . . . . 21 VAL HG11 . 50957 1 263 . 1 . 1 21 21 VAL HG12 H 1 0.981 0.000 . 2 . . . . . 21 VAL HG12 . 50957 1 264 . 1 . 1 21 21 VAL HG13 H 1 0.981 0.000 . 2 . . . . . 21 VAL HG13 . 50957 1 265 . 1 . 1 21 21 VAL HG21 H 1 0.688 0.000 . 2 . . . . . 21 VAL HG21 . 50957 1 266 . 1 . 1 21 21 VAL HG22 H 1 0.688 0.000 . 2 . . . . . 21 VAL HG22 . 50957 1 267 . 1 . 1 21 21 VAL HG23 H 1 0.688 0.000 . 2 . . . . . 21 VAL HG23 . 50957 1 268 . 1 . 1 21 21 VAL C C 13 173.612 0.000 . 1 . . . . . 21 VAL C . 50957 1 269 . 1 . 1 21 21 VAL CA C 13 58.837 0.015 . 1 . . . . . 21 VAL CA . 50957 1 270 . 1 . 1 21 21 VAL CB C 13 36.499 0.022 . 1 . . . . . 21 VAL CB . 50957 1 271 . 1 . 1 21 21 VAL CG1 C 13 22.845 0.000 . 2 . . . . . 21 VAL CG1 . 50957 1 272 . 1 . 1 21 21 VAL CG2 C 13 18.839 0.023 . 2 . . . . . 21 VAL CG2 . 50957 1 273 . 1 . 1 21 21 VAL N N 15 116.610 0.025 . 1 . . . . . 21 VAL N . 50957 1 274 . 1 . 1 22 22 LYS H H 1 9.172 0.004 . 1 . . . . . 22 LYS H . 50957 1 275 . 1 . 1 22 22 LYS HA H 1 4.947 0.000 . 1 . . . . . 22 LYS HA . 50957 1 276 . 1 . 1 22 22 LYS HB2 H 1 1.591 0.000 . 2 . . . . . 22 LYS HB2 . 50957 1 277 . 1 . 1 22 22 LYS HB3 H 1 1.329 0.000 . 2 . . . . . 22 LYS HB3 . 50957 1 278 . 1 . 1 22 22 LYS HG2 H 1 0.951 0.000 . 2 . . . . . 22 LYS HG2 . 50957 1 279 . 1 . 1 22 22 LYS HG3 H 1 1.073 0.000 . 2 . . . . . 22 LYS HG3 . 50957 1 280 . 1 . 1 22 22 LYS HD2 H 1 1.516 0.000 . 2 . . . . . 22 LYS HD2 . 50957 1 281 . 1 . 1 22 22 LYS HD3 H 1 1.555 0.000 . 2 . . . . . 22 LYS HD3 . 50957 1 282 . 1 . 1 22 22 LYS HE2 H 1 2.721 0.005 . 2 . . . . . 22 LYS HE2 . 50957 1 283 . 1 . 1 22 22 LYS HE3 H 1 2.821 0.001 . 2 . . . . . 22 LYS HE3 . 50957 1 284 . 1 . 1 22 22 LYS C C 13 175.118 0.000 . 1 . . . . . 22 LYS C . 50957 1 285 . 1 . 1 22 22 LYS CA C 13 54.249 0.048 . 1 . . . . . 22 LYS CA . 50957 1 286 . 1 . 1 22 22 LYS CB C 13 36.099 0.076 . 1 . . . . . 22 LYS CB . 50957 1 287 . 1 . 1 22 22 LYS CG C 13 24.886 0.024 . 1 . . . . . 22 LYS CG . 50957 1 288 . 1 . 1 22 22 LYS CD C 13 29.583 0.001 . 1 . . . . . 22 LYS CD . 50957 1 289 . 1 . 1 22 22 LYS CE C 13 41.612 0.002 . 1 . . . . . 22 LYS CE . 50957 1 290 . 1 . 1 22 22 LYS N N 15 120.448 0.024 . 1 . . . . . 22 LYS N . 50957 1 291 . 1 . 1 23 23 ILE H H 1 8.456 0.003 . 1 . . . . . 23 ILE H . 50957 1 292 . 1 . 1 23 23 ILE HA H 1 4.498 0.000 . 1 . . . . . 23 ILE HA . 50957 1 293 . 1 . 1 23 23 ILE HB H 1 2.580 0.001 . 1 . . . . . 23 ILE HB . 50957 1 294 . 1 . 1 23 23 ILE HG12 H 1 1.434 0.000 . 2 . . . . . 23 ILE HG12 . 50957 1 295 . 1 . 1 23 23 ILE HG13 H 1 1.253 0.000 . 2 . . . . . 23 ILE HG13 . 50957 1 296 . 1 . 1 23 23 ILE HG21 H 1 1.103 0.002 . 1 . . . . . 23 ILE HG21 . 50957 1 297 . 1 . 1 23 23 ILE HG22 H 1 1.103 0.002 . 1 . . . . . 23 ILE HG22 . 50957 1 298 . 1 . 1 23 23 ILE HG23 H 1 1.103 0.002 . 1 . . . . . 23 ILE HG23 . 50957 1 299 . 1 . 1 23 23 ILE HD11 H 1 0.741 0.002 . 1 . . . . . 23 ILE HD11 . 50957 1 300 . 1 . 1 23 23 ILE HD12 H 1 0.741 0.002 . 1 . . . . . 23 ILE HD12 . 50957 1 301 . 1 . 1 23 23 ILE HD13 H 1 0.741 0.002 . 1 . . . . . 23 ILE HD13 . 50957 1 302 . 1 . 1 23 23 ILE C C 13 178.071 0.000 . 1 . . . . . 23 ILE C . 50957 1 303 . 1 . 1 23 23 ILE CA C 13 61.840 0.047 . 1 . . . . . 23 ILE CA . 50957 1 304 . 1 . 1 23 23 ILE CB C 13 36.644 0.008 . 1 . . . . . 23 ILE CB . 50957 1 305 . 1 . 1 23 23 ILE CG1 C 13 29.552 0.000 . 1 . . . . . 23 ILE CG1 . 50957 1 306 . 1 . 1 23 23 ILE CG2 C 13 19.760 0.030 . 1 . . . . . 23 ILE CG2 . 50957 1 307 . 1 . 1 23 23 ILE CD1 C 13 14.238 0.024 . 1 . . . . . 23 ILE CD1 . 50957 1 308 . 1 . 1 23 23 ILE N N 15 125.812 0.033 . 1 . . . . . 23 ILE N . 50957 1 309 . 1 . 1 24 24 ILE H H 1 8.683 0.003 . 1 . . . . . 24 ILE H . 50957 1 310 . 1 . 1 24 24 ILE HA H 1 4.799 0.000 . 1 . . . . . 24 ILE HA . 50957 1 311 . 1 . 1 24 24 ILE HB H 1 2.369 0.001 . 1 . . . . . 24 ILE HB . 50957 1 312 . 1 . 1 24 24 ILE HG12 H 1 1.272 0.001 . 2 . . . . . 24 ILE HG12 . 50957 1 313 . 1 . 1 24 24 ILE HG13 H 1 0.975 0.000 . 2 . . . . . 24 ILE HG13 . 50957 1 314 . 1 . 1 24 24 ILE HG21 H 1 0.829 0.000 . 1 . . . . . 24 ILE HG21 . 50957 1 315 . 1 . 1 24 24 ILE HG22 H 1 0.829 0.000 . 1 . . . . . 24 ILE HG22 . 50957 1 316 . 1 . 1 24 24 ILE HG23 H 1 0.829 0.000 . 1 . . . . . 24 ILE HG23 . 50957 1 317 . 1 . 1 24 24 ILE HD11 H 1 0.968 0.000 . 1 . . . . . 24 ILE HD11 . 50957 1 318 . 1 . 1 24 24 ILE HD12 H 1 0.968 0.000 . 1 . . . . . 24 ILE HD12 . 50957 1 319 . 1 . 1 24 24 ILE HD13 H 1 0.968 0.000 . 1 . . . . . 24 ILE HD13 . 50957 1 320 . 1 . 1 24 24 ILE C C 13 175.500 0.000 . 1 . . . . . 24 ILE C . 50957 1 321 . 1 . 1 24 24 ILE CA C 13 60.818 0.020 . 1 . . . . . 24 ILE CA . 50957 1 322 . 1 . 1 24 24 ILE CB C 13 38.252 0.033 . 1 . . . . . 24 ILE CB . 50957 1 323 . 1 . 1 24 24 ILE CG1 C 13 27.239 0.007 . 1 . . . . . 24 ILE CG1 . 50957 1 324 . 1 . 1 24 24 ILE CG2 C 13 19.691 0.026 . 1 . . . . . 24 ILE CG2 . 50957 1 325 . 1 . 1 24 24 ILE CD1 C 13 14.521 0.032 . 1 . . . . . 24 ILE CD1 . 50957 1 326 . 1 . 1 24 24 ILE N N 15 120.468 0.024 . 1 . . . . . 24 ILE N . 50957 1 327 . 1 . 1 25 25 THR H H 1 7.133 0.003 . 1 . . . . . 25 THR H . 50957 1 328 . 1 . 1 25 25 THR HA H 1 4.876 0.000 . 1 . . . . . 25 THR HA . 50957 1 329 . 1 . 1 25 25 THR HB H 1 4.215 0.000 . 1 . . . . . 25 THR HB . 50957 1 330 . 1 . 1 25 25 THR HG21 H 1 1.027 0.000 . 1 . . . . . 25 THR HG21 . 50957 1 331 . 1 . 1 25 25 THR HG22 H 1 1.027 0.000 . 1 . . . . . 25 THR HG22 . 50957 1 332 . 1 . 1 25 25 THR HG23 H 1 1.027 0.000 . 1 . . . . . 25 THR HG23 . 50957 1 333 . 1 . 1 25 25 THR C C 13 173.165 0.000 . 1 . . . . . 25 THR C . 50957 1 334 . 1 . 1 25 25 THR CA C 13 59.643 0.021 . 1 . . . . . 25 THR CA . 50957 1 335 . 1 . 1 25 25 THR CB C 13 69.797 0.019 . 1 . . . . . 25 THR CB . 50957 1 336 . 1 . 1 25 25 THR CG2 C 13 19.553 0.028 . 1 . . . . . 25 THR CG2 . 50957 1 337 . 1 . 1 25 25 THR N N 15 113.408 0.028 . 1 . . . . . 25 THR N . 50957 1 338 . 1 . 1 26 26 LYS H H 1 8.728 0.005 . 1 . . . . . 26 LYS H . 50957 1 339 . 1 . 1 26 26 LYS HA H 1 4.097 0.002 . 1 . . . . . 26 LYS HA . 50957 1 340 . 1 . 1 26 26 LYS HB2 H 1 1.749 0.000 . 2 . . . . . 26 LYS HB2 . 50957 1 341 . 1 . 1 26 26 LYS HB3 H 1 1.448 0.001 . 2 . . . . . 26 LYS HB3 . 50957 1 342 . 1 . 1 26 26 LYS HG2 H 1 0.816 0.000 . 2 . . . . . 26 LYS HG2 . 50957 1 343 . 1 . 1 26 26 LYS HG3 H 1 0.736 0.000 . 2 . . . . . 26 LYS HG3 . 50957 1 344 . 1 . 1 26 26 LYS HD2 H 1 1.489 0.000 . 1 . . . . . 26 LYS HD2 . 50957 1 345 . 1 . 1 26 26 LYS HD3 H 1 1.489 0.000 . 1 . . . . . 26 LYS HD3 . 50957 1 346 . 1 . 1 26 26 LYS HE2 H 1 2.665 0.000 . 1 . . . . . 26 LYS HE2 . 50957 1 347 . 1 . 1 26 26 LYS HE3 H 1 2.665 0.000 . 1 . . . . . 26 LYS HE3 . 50957 1 348 . 1 . 1 26 26 LYS C C 13 179.449 0.000 . 1 . . . . . 26 LYS C . 50957 1 349 . 1 . 1 26 26 LYS CA C 13 57.078 0.031 . 1 . . . . . 26 LYS CA . 50957 1 350 . 1 . 1 26 26 LYS CB C 13 33.004 0.026 . 1 . . . . . 26 LYS CB . 50957 1 351 . 1 . 1 26 26 LYS CG C 13 25.599 0.002 . 1 . . . . . 26 LYS CG . 50957 1 352 . 1 . 1 26 26 LYS CD C 13 29.451 0.006 . 1 . . . . . 26 LYS CD . 50957 1 353 . 1 . 1 26 26 LYS CE C 13 41.920 0.001 . 1 . . . . . 26 LYS CE . 50957 1 354 . 1 . 1 26 26 LYS N N 15 124.787 0.028 . 1 . . . . . 26 LYS N . 50957 1 355 . 1 . 1 27 27 LYS H H 1 8.634 0.003 . 1 . . . . . 27 LYS H . 50957 1 356 . 1 . 1 27 27 LYS HA H 1 3.960 0.000 . 1 . . . . . 27 LYS HA . 50957 1 357 . 1 . 1 27 27 LYS HB2 H 1 1.776 0.000 . 2 . . . . . 27 LYS HB2 . 50957 1 358 . 1 . 1 27 27 LYS HB3 H 1 1.689 0.000 . 2 . . . . . 27 LYS HB3 . 50957 1 359 . 1 . 1 27 27 LYS HG2 H 1 1.400 0.000 . 1 . . . . . 27 LYS HG2 . 50957 1 360 . 1 . 1 27 27 LYS HG3 H 1 1.400 0.000 . 1 . . . . . 27 LYS HG3 . 50957 1 361 . 1 . 1 27 27 LYS HD2 H 1 1.609 0.000 . 1 . . . . . 27 LYS HD2 . 50957 1 362 . 1 . 1 27 27 LYS HD3 H 1 1.609 0.000 . 1 . . . . . 27 LYS HD3 . 50957 1 363 . 1 . 1 27 27 LYS HE2 H 1 2.965 0.000 . 1 . . . . . 27 LYS HE2 . 50957 1 364 . 1 . 1 27 27 LYS HE3 H 1 2.965 0.000 . 1 . . . . . 27 LYS HE3 . 50957 1 365 . 1 . 1 27 27 LYS C C 13 176.827 0.000 . 1 . . . . . 27 LYS C . 50957 1 366 . 1 . 1 27 27 LYS CA C 13 59.391 0.009 . 1 . . . . . 27 LYS CA . 50957 1 367 . 1 . 1 27 27 LYS CB C 13 32.603 0.015 . 1 . . . . . 27 LYS CB . 50957 1 368 . 1 . 1 27 27 LYS CG C 13 25.123 0.000 . 1 . . . . . 27 LYS CG . 50957 1 369 . 1 . 1 27 27 LYS CD C 13 29.078 0.000 . 1 . . . . . 27 LYS CD . 50957 1 370 . 1 . 1 27 27 LYS CE C 13 41.972 0.001 . 1 . . . . . 27 LYS CE . 50957 1 371 . 1 . 1 27 27 LYS N N 15 121.531 0.039 . 1 . . . . . 27 LYS N . 50957 1 372 . 1 . 1 28 28 LEU H H 1 7.862 0.003 . 1 . . . . . 28 LEU H . 50957 1 373 . 1 . 1 28 28 LEU HA H 1 4.567 0.000 . 1 . . . . . 28 LEU HA . 50957 1 374 . 1 . 1 28 28 LEU HB2 H 1 1.845 0.005 . 1 . . . . . 28 LEU HB2 . 50957 1 375 . 1 . 1 28 28 LEU HB3 H 1 1.845 0.005 . 1 . . . . . 28 LEU HB3 . 50957 1 376 . 1 . 1 28 28 LEU HG H 1 1.486 0.000 . 1 . . . . . 28 LEU HG . 50957 1 377 . 1 . 1 28 28 LEU HD11 H 1 0.804 0.000 . 2 . . . . . 28 LEU HD11 . 50957 1 378 . 1 . 1 28 28 LEU HD12 H 1 0.804 0.000 . 2 . . . . . 28 LEU HD12 . 50957 1 379 . 1 . 1 28 28 LEU HD13 H 1 0.804 0.000 . 2 . . . . . 28 LEU HD13 . 50957 1 380 . 1 . 1 28 28 LEU HD21 H 1 0.783 0.000 . 2 . . . . . 28 LEU HD21 . 50957 1 381 . 1 . 1 28 28 LEU HD22 H 1 0.783 0.000 . 2 . . . . . 28 LEU HD22 . 50957 1 382 . 1 . 1 28 28 LEU HD23 H 1 0.783 0.000 . 2 . . . . . 28 LEU HD23 . 50957 1 383 . 1 . 1 28 28 LEU C C 13 176.338 0.000 . 1 . . . . . 28 LEU C . 50957 1 384 . 1 . 1 28 28 LEU CA C 13 54.356 0.075 . 1 . . . . . 28 LEU CA . 50957 1 385 . 1 . 1 28 28 LEU CB C 13 41.010 0.011 . 1 . . . . . 28 LEU CB . 50957 1 386 . 1 . 1 28 28 LEU CG C 13 28.310 0.007 . 1 . . . . . 28 LEU CG . 50957 1 387 . 1 . 1 28 28 LEU CD1 C 13 25.849 0.001 . 2 . . . . . 28 LEU CD1 . 50957 1 388 . 1 . 1 28 28 LEU CD2 C 13 23.333 0.002 . 2 . . . . . 28 LEU CD2 . 50957 1 389 . 1 . 1 28 28 LEU N N 15 118.492 0.048 . 1 . . . . . 28 LEU N . 50957 1 390 . 1 . 1 29 29 GLY H H 1 7.595 0.003 . 1 . . . . . 29 GLY H . 50957 1 391 . 1 . 1 29 29 GLY HA2 H 1 4.534 0.000 . 2 . . . . . 29 GLY HA2 . 50957 1 392 . 1 . 1 29 29 GLY HA3 H 1 3.792 0.000 . 2 . . . . . 29 GLY HA3 . 50957 1 393 . 1 . 1 29 29 GLY CA C 13 44.535 0.003 . 1 . . . . . 29 GLY CA . 50957 1 394 . 1 . 1 29 29 GLY N N 15 107.411 0.036 . 1 . . . . . 29 GLY N . 50957 1 395 . 1 . 1 30 30 GLU HA H 1 3.917 0.002 . 1 . . . . . 30 GLU HA . 50957 1 396 . 1 . 1 30 30 GLU HB2 H 1 2.098 0.000 . 1 . . . . . 30 GLU HB2 . 50957 1 397 . 1 . 1 30 30 GLU HB3 H 1 2.098 0.000 . 1 . . . . . 30 GLU HB3 . 50957 1 398 . 1 . 1 30 30 GLU HG2 H 1 2.353 0.000 . 1 . . . . . 30 GLU HG2 . 50957 1 399 . 1 . 1 30 30 GLU HG3 H 1 2.353 0.000 . 1 . . . . . 30 GLU HG3 . 50957 1 400 . 1 . 1 30 30 GLU C C 13 178.276 0.000 . 1 . . . . . 30 GLU C . 50957 1 401 . 1 . 1 30 30 GLU CA C 13 60.024 0.025 . 1 . . . . . 30 GLU CA . 50957 1 402 . 1 . 1 30 30 GLU CB C 13 29.179 0.047 . 1 . . . . . 30 GLU CB . 50957 1 403 . 1 . 1 30 30 GLU CG C 13 36.564 0.001 . 1 . . . . . 30 GLU CG . 50957 1 404 . 1 . 1 31 31 LYS H H 1 8.472 0.004 . 1 . . . . . 31 LYS H . 50957 1 405 . 1 . 1 31 31 LYS HA H 1 4.035 0.000 . 1 . . . . . 31 LYS HA . 50957 1 406 . 1 . 1 31 31 LYS HB2 H 1 1.613 0.000 . 2 . . . . . 31 LYS HB2 . 50957 1 407 . 1 . 1 31 31 LYS HB3 H 1 1.310 0.000 . 2 . . . . . 31 LYS HB3 . 50957 1 408 . 1 . 1 31 31 LYS HG2 H 1 0.685 0.000 . 2 . . . . . 31 LYS HG2 . 50957 1 409 . 1 . 1 31 31 LYS HG3 H 1 0.263 0.000 . 2 . . . . . 31 LYS HG3 . 50957 1 410 . 1 . 1 31 31 LYS HD2 H 1 1.396 0.000 . 1 . . . . . 31 LYS HD2 . 50957 1 411 . 1 . 1 31 31 LYS HD3 H 1 1.396 0.000 . 1 . . . . . 31 LYS HD3 . 50957 1 412 . 1 . 1 31 31 LYS HE2 H 1 2.737 0.000 . 1 . . . . . 31 LYS HE2 . 50957 1 413 . 1 . 1 31 31 LYS HE3 H 1 2.737 0.000 . 1 . . . . . 31 LYS HE3 . 50957 1 414 . 1 . 1 31 31 LYS C C 13 176.177 0.000 . 1 . . . . . 31 LYS C . 50957 1 415 . 1 . 1 31 31 LYS CA C 13 58.198 0.043 . 1 . . . . . 31 LYS CA . 50957 1 416 . 1 . 1 31 31 LYS CB C 13 31.568 0.031 . 1 . . . . . 31 LYS CB . 50957 1 417 . 1 . 1 31 31 LYS CG C 13 23.097 0.005 . 1 . . . . . 31 LYS CG . 50957 1 418 . 1 . 1 31 31 LYS CD C 13 29.602 0.000 . 1 . . . . . 31 LYS CD . 50957 1 419 . 1 . 1 31 31 LYS CE C 13 41.920 0.002 . 1 . . . . . 31 LYS CE . 50957 1 420 . 1 . 1 31 31 LYS N N 15 116.296 0.024 . 1 . . . . . 31 LYS N . 50957 1 421 . 1 . 1 32 32 TYR H H 1 6.746 0.003 . 1 . . . . . 32 TYR H . 50957 1 422 . 1 . 1 32 32 TYR HA H 1 4.643 0.002 . 1 . . . . . 32 TYR HA . 50957 1 423 . 1 . 1 32 32 TYR HB2 H 1 3.301 0.004 . 2 . . . . . 32 TYR HB2 . 50957 1 424 . 1 . 1 32 32 TYR HB3 H 1 2.643 0.000 . 2 . . . . . 32 TYR HB3 . 50957 1 425 . 1 . 1 32 32 TYR HD1 H 1 6.974 0.000 . 1 . . . . . 32 TYR HD1 . 50957 1 426 . 1 . 1 32 32 TYR HD2 H 1 6.974 0.000 . 1 . . . . . 32 TYR HD2 . 50957 1 427 . 1 . 1 32 32 TYR HE1 H 1 6.825 0.000 . 1 . . . . . 32 TYR HE1 . 50957 1 428 . 1 . 1 32 32 TYR HE2 H 1 6.825 0.000 . 1 . . . . . 32 TYR HE2 . 50957 1 429 . 1 . 1 32 32 TYR C C 13 175.091 0.000 . 1 . . . . . 32 TYR C . 50957 1 430 . 1 . 1 32 32 TYR CA C 13 57.353 0.055 . 1 . . . . . 32 TYR CA . 50957 1 431 . 1 . 1 32 32 TYR CB C 13 39.425 0.022 . 1 . . . . . 32 TYR CB . 50957 1 432 . 1 . 1 32 32 TYR CD1 C 13 132.869 0.000 . 1 . . . . . 32 TYR CD1 . 50957 1 433 . 1 . 1 32 32 TYR CD2 C 13 132.869 0.000 . 1 . . . . . 32 TYR CD2 . 50957 1 434 . 1 . 1 32 32 TYR CE1 C 13 118.152 0.000 . 1 . . . . . 32 TYR CE1 . 50957 1 435 . 1 . 1 32 32 TYR CE2 C 13 118.152 0.000 . 1 . . . . . 32 TYR CE2 . 50957 1 436 . 1 . 1 32 32 TYR N N 15 115.670 0.026 . 1 . . . . . 32 TYR N . 50957 1 437 . 1 . 1 33 33 HIS H H 1 7.337 0.003 . 1 . . . . . 33 HIS H . 50957 1 438 . 1 . 1 33 33 HIS HA H 1 4.105 0.001 . 1 . . . . . 33 HIS HA . 50957 1 439 . 1 . 1 33 33 HIS HB2 H 1 3.233 0.001 . 2 . . . . . 33 HIS HB2 . 50957 1 440 . 1 . 1 33 33 HIS HB3 H 1 2.902 0.000 . 2 . . . . . 33 HIS HB3 . 50957 1 441 . 1 . 1 33 33 HIS HD2 H 1 6.570 0.002 . 1 . . . . . 33 HIS HD2 . 50957 1 442 . 1 . 1 33 33 HIS HE1 H 1 7.779 0.000 . 1 . . . . . 33 HIS HE1 . 50957 1 443 . 1 . 1 33 33 HIS C C 13 175.177 0.000 . 1 . . . . . 33 HIS C . 50957 1 444 . 1 . 1 33 33 HIS CA C 13 58.657 0.019 . 1 . . . . . 33 HIS CA . 50957 1 445 . 1 . 1 33 33 HIS CB C 13 31.790 0.026 . 1 . . . . . 33 HIS CB . 50957 1 446 . 1 . 1 33 33 HIS CD2 C 13 120.047 0.000 . 1 . . . . . 33 HIS CD2 . 50957 1 447 . 1 . 1 33 33 HIS CE1 C 13 137.825 0.000 . 1 . . . . . 33 HIS CE1 . 50957 1 448 . 1 . 1 33 33 HIS N N 15 117.667 0.034 . 1 . . . . . 33 HIS N . 50957 1 449 . 1 . 1 34 34 LYS H H 1 8.735 0.004 . 1 . . . . . 34 LYS H . 50957 1 450 . 1 . 1 34 34 LYS HA H 1 3.476 0.000 . 1 . . . . . 34 LYS HA . 50957 1 451 . 1 . 1 34 34 LYS HB2 H 1 1.890 0.000 . 1 . . . . . 34 LYS HB2 . 50957 1 452 . 1 . 1 34 34 LYS HB3 H 1 1.890 0.000 . 1 . . . . . 34 LYS HB3 . 50957 1 453 . 1 . 1 34 34 LYS HG2 H 1 0.650 0.000 . 2 . . . . . 34 LYS HG2 . 50957 1 454 . 1 . 1 34 34 LYS HG3 H 1 0.240 0.003 . 2 . . . . . 34 LYS HG3 . 50957 1 455 . 1 . 1 34 34 LYS HD2 H 1 1.475 0.000 . 2 . . . . . 34 LYS HD2 . 50957 1 456 . 1 . 1 34 34 LYS HD3 H 1 1.433 0.000 . 2 . . . . . 34 LYS HD3 . 50957 1 457 . 1 . 1 34 34 LYS HE2 H 1 2.803 0.000 . 1 . . . . . 34 LYS HE2 . 50957 1 458 . 1 . 1 34 34 LYS HE3 H 1 2.803 0.000 . 1 . . . . . 34 LYS HE3 . 50957 1 459 . 1 . 1 34 34 LYS C C 13 174.950 0.000 . 1 . . . . . 34 LYS C . 50957 1 460 . 1 . 1 34 34 LYS CA C 13 58.738 0.031 . 1 . . . . . 34 LYS CA . 50957 1 461 . 1 . 1 34 34 LYS CB C 13 28.877 0.013 . 1 . . . . . 34 LYS CB . 50957 1 462 . 1 . 1 34 34 LYS CG C 13 24.893 0.023 . 1 . . . . . 34 LYS CG . 50957 1 463 . 1 . 1 34 34 LYS CD C 13 29.425 0.001 . 1 . . . . . 34 LYS CD . 50957 1 464 . 1 . 1 34 34 LYS CE C 13 41.890 0.000 . 1 . . . . . 34 LYS CE . 50957 1 465 . 1 . 1 34 34 LYS N N 15 120.933 0.023 . 1 . . . . . 34 LYS N . 50957 1 466 . 1 . 1 35 35 LYS H H 1 7.720 0.003 . 1 . . . . . 35 LYS H . 50957 1 467 . 1 . 1 35 35 LYS HA H 1 4.631 0.000 . 1 . . . . . 35 LYS HA . 50957 1 468 . 1 . 1 35 35 LYS HB2 H 1 1.995 0.000 . 2 . . . . . 35 LYS HB2 . 50957 1 469 . 1 . 1 35 35 LYS HB3 H 1 1.967 0.000 . 2 . . . . . 35 LYS HB3 . 50957 1 470 . 1 . 1 35 35 LYS HG2 H 1 1.251 0.000 . 2 . . . . . 35 LYS HG2 . 50957 1 471 . 1 . 1 35 35 LYS HG3 H 1 1.602 0.000 . 2 . . . . . 35 LYS HG3 . 50957 1 472 . 1 . 1 35 35 LYS HD2 H 1 1.744 0.000 . 1 . . . . . 35 LYS HD2 . 50957 1 473 . 1 . 1 35 35 LYS HD3 H 1 1.745 0.001 . 1 . . . . . 35 LYS HD3 . 50957 1 474 . 1 . 1 35 35 LYS HE2 H 1 3.051 0.000 . 1 . . . . . 35 LYS HE2 . 50957 1 475 . 1 . 1 35 35 LYS HE3 H 1 3.051 0.000 . 1 . . . . . 35 LYS HE3 . 50957 1 476 . 1 . 1 35 35 LYS C C 13 175.939 0.000 . 1 . . . . . 35 LYS C . 50957 1 477 . 1 . 1 35 35 LYS CA C 13 54.555 0.054 . 1 . . . . . 35 LYS CA . 50957 1 478 . 1 . 1 35 35 LYS CB C 13 34.089 0.026 . 1 . . . . . 35 LYS CB . 50957 1 479 . 1 . 1 35 35 LYS CG C 13 25.148 0.008 . 1 . . . . . 35 LYS CG . 50957 1 480 . 1 . 1 35 35 LYS CD C 13 28.533 0.016 . 1 . . . . . 35 LYS CD . 50957 1 481 . 1 . 1 35 35 LYS CE C 13 42.734 0.002 . 1 . . . . . 35 LYS CE . 50957 1 482 . 1 . 1 35 35 LYS N N 15 118.033 0.036 . 1 . . . . . 35 LYS N . 50957 1 483 . 1 . 1 36 36 LYS H H 1 8.301 0.005 . 1 . . . . . 36 LYS H . 50957 1 484 . 1 . 1 36 36 LYS HA H 1 5.369 0.002 . 1 . . . . . 36 LYS HA . 50957 1 485 . 1 . 1 36 36 LYS HB2 H 1 1.793 0.000 . 2 . . . . . 36 LYS HB2 . 50957 1 486 . 1 . 1 36 36 LYS HB3 H 1 1.705 0.000 . 2 . . . . . 36 LYS HB3 . 50957 1 487 . 1 . 1 36 36 LYS HG2 H 1 1.189 0.000 . 2 . . . . . 36 LYS HG2 . 50957 1 488 . 1 . 1 36 36 LYS HG3 H 1 1.597 0.000 . 2 . . . . . 36 LYS HG3 . 50957 1 489 . 1 . 1 36 36 LYS HD2 H 1 1.620 0.000 . 1 . . . . . 36 LYS HD2 . 50957 1 490 . 1 . 1 36 36 LYS HD3 H 1 1.620 0.000 . 1 . . . . . 36 LYS HD3 . 50957 1 491 . 1 . 1 36 36 LYS HE2 H 1 2.940 0.000 . 1 . . . . . 36 LYS HE2 . 50957 1 492 . 1 . 1 36 36 LYS HE3 H 1 2.940 0.000 . 1 . . . . . 36 LYS HE3 . 50957 1 493 . 1 . 1 36 36 LYS C C 13 176.701 0.000 . 1 . . . . . 36 LYS C . 50957 1 494 . 1 . 1 36 36 LYS CA C 13 55.868 0.015 . 1 . . . . . 36 LYS CA . 50957 1 495 . 1 . 1 36 36 LYS CB C 13 35.478 0.031 . 1 . . . . . 36 LYS CB . 50957 1 496 . 1 . 1 36 36 LYS CG C 13 26.490 0.001 . 1 . . . . . 36 LYS CG . 50957 1 497 . 1 . 1 36 36 LYS CD C 13 29.480 0.001 . 1 . . . . . 36 LYS CD . 50957 1 498 . 1 . 1 36 36 LYS CE C 13 41.981 0.003 . 1 . . . . . 36 LYS CE . 50957 1 499 . 1 . 1 36 36 LYS N N 15 116.884 0.031 . 1 . . . . . 36 LYS N . 50957 1 500 . 1 . 1 37 37 ALA H H 1 9.418 0.002 . 1 . . . . . 37 ALA H . 50957 1 501 . 1 . 1 37 37 ALA HA H 1 5.095 0.000 . 1 . . . . . 37 ALA HA . 50957 1 502 . 1 . 1 37 37 ALA HB1 H 1 1.253 0.000 . 1 . . . . . 37 ALA HB1 . 50957 1 503 . 1 . 1 37 37 ALA HB2 H 1 1.253 0.000 . 1 . . . . . 37 ALA HB2 . 50957 1 504 . 1 . 1 37 37 ALA HB3 H 1 1.253 0.000 . 1 . . . . . 37 ALA HB3 . 50957 1 505 . 1 . 1 37 37 ALA C C 13 174.114 0.000 . 1 . . . . . 37 ALA C . 50957 1 506 . 1 . 1 37 37 ALA CA C 13 51.055 0.029 . 1 . . . . . 37 ALA CA . 50957 1 507 . 1 . 1 37 37 ALA CB C 13 25.456 0.023 . 1 . . . . . 37 ALA CB . 50957 1 508 . 1 . 1 37 37 ALA N N 15 124.008 0.041 . 1 . . . . . 37 ALA N . 50957 1 509 . 1 . 1 38 38 ILE H H 1 8.720 0.004 . 1 . . . . . 38 ILE H . 50957 1 510 . 1 . 1 38 38 ILE HA H 1 4.860 0.000 . 1 . . . . . 38 ILE HA . 50957 1 511 . 1 . 1 38 38 ILE HB H 1 1.521 0.000 . 1 . . . . . 38 ILE HB . 50957 1 512 . 1 . 1 38 38 ILE HG12 H 1 0.890 0.000 . 2 . . . . . 38 ILE HG12 . 50957 1 513 . 1 . 1 38 38 ILE HG13 H 1 1.574 0.001 . 2 . . . . . 38 ILE HG13 . 50957 1 514 . 1 . 1 38 38 ILE HG21 H 1 0.804 0.000 . 1 . . . . . 38 ILE HG21 . 50957 1 515 . 1 . 1 38 38 ILE HG22 H 1 0.804 0.000 . 1 . . . . . 38 ILE HG22 . 50957 1 516 . 1 . 1 38 38 ILE HG23 H 1 0.804 0.000 . 1 . . . . . 38 ILE HG23 . 50957 1 517 . 1 . 1 38 38 ILE HD11 H 1 0.897 0.000 . 1 . . . . . 38 ILE HD11 . 50957 1 518 . 1 . 1 38 38 ILE HD12 H 1 0.897 0.000 . 1 . . . . . 38 ILE HD12 . 50957 1 519 . 1 . 1 38 38 ILE HD13 H 1 0.897 0.000 . 1 . . . . . 38 ILE HD13 . 50957 1 520 . 1 . 1 38 38 ILE C C 13 177.178 0.000 . 1 . . . . . 38 ILE C . 50957 1 521 . 1 . 1 38 38 ILE CA C 13 59.589 0.046 . 1 . . . . . 38 ILE CA . 50957 1 522 . 1 . 1 38 38 ILE CB C 13 41.594 0.070 . 1 . . . . . 38 ILE CB . 50957 1 523 . 1 . 1 38 38 ILE CG1 C 13 28.534 0.002 . 1 . . . . . 38 ILE CG1 . 50957 1 524 . 1 . 1 38 38 ILE CG2 C 13 17.479 0.002 . 1 . . . . . 38 ILE CG2 . 50957 1 525 . 1 . 1 38 38 ILE CD1 C 13 14.434 0.013 . 1 . . . . . 38 ILE CD1 . 50957 1 526 . 1 . 1 38 38 ILE N N 15 118.260 0.026 . 1 . . . . . 38 ILE N . 50957 1 527 . 1 . 1 39 39 VAL H H 1 8.831 0.003 . 1 . . . . . 39 VAL H . 50957 1 528 . 1 . 1 39 39 VAL HA H 1 3.857 0.000 . 1 . . . . . 39 VAL HA . 50957 1 529 . 1 . 1 39 39 VAL HB H 1 2.345 0.000 . 1 . . . . . 39 VAL HB . 50957 1 530 . 1 . 1 39 39 VAL HG11 H 1 0.853 0.000 . 2 . . . . . 39 VAL HG11 . 50957 1 531 . 1 . 1 39 39 VAL HG12 H 1 0.853 0.000 . 2 . . . . . 39 VAL HG12 . 50957 1 532 . 1 . 1 39 39 VAL HG13 H 1 0.853 0.000 . 2 . . . . . 39 VAL HG13 . 50957 1 533 . 1 . 1 39 39 VAL HG21 H 1 0.577 0.000 . 2 . . . . . 39 VAL HG21 . 50957 1 534 . 1 . 1 39 39 VAL HG22 H 1 0.577 0.000 . 2 . . . . . 39 VAL HG22 . 50957 1 535 . 1 . 1 39 39 VAL HG23 H 1 0.577 0.000 . 2 . . . . . 39 VAL HG23 . 50957 1 536 . 1 . 1 39 39 VAL C C 13 175.229 0.000 . 1 . . . . . 39 VAL C . 50957 1 537 . 1 . 1 39 39 VAL CA C 13 64.071 0.052 . 1 . . . . . 39 VAL CA . 50957 1 538 . 1 . 1 39 39 VAL CB C 13 31.783 0.010 . 1 . . . . . 39 VAL CB . 50957 1 539 . 1 . 1 39 39 VAL CG1 C 13 23.078 0.003 . 1 . . . . . 39 VAL CG1 . 50957 1 540 . 1 . 1 39 39 VAL CG2 C 13 23.078 0.003 . 1 . . . . . 39 VAL CG2 . 50957 1 541 . 1 . 1 39 39 VAL N N 15 125.976 0.029 . 1 . . . . . 39 VAL N . 50957 1 542 . 1 . 1 40 40 LYS H H 1 9.333 0.003 . 1 . . . . . 40 LYS H . 50957 1 543 . 1 . 1 40 40 LYS HA H 1 4.686 0.000 . 1 . . . . . 40 LYS HA . 50957 1 544 . 1 . 1 40 40 LYS HB2 H 1 1.925 0.000 . 2 . . . . . 40 LYS HB2 . 50957 1 545 . 1 . 1 40 40 LYS HB3 H 1 1.609 0.000 . 2 . . . . . 40 LYS HB3 . 50957 1 546 . 1 . 1 40 40 LYS HG2 H 1 1.435 0.000 . 2 . . . . . 40 LYS HG2 . 50957 1 547 . 1 . 1 40 40 LYS HG3 H 1 1.573 0.001 . 2 . . . . . 40 LYS HG3 . 50957 1 548 . 1 . 1 40 40 LYS HD2 H 1 1.572 0.000 . 2 . . . . . 40 LYS HD2 . 50957 1 549 . 1 . 1 40 40 LYS HD3 H 1 1.644 0.001 . 2 . . . . . 40 LYS HD3 . 50957 1 550 . 1 . 1 40 40 LYS HE2 H 1 2.790 0.000 . 2 . . . . . 40 LYS HE2 . 50957 1 551 . 1 . 1 40 40 LYS HE3 H 1 3.030 0.000 . 2 . . . . . 40 LYS HE3 . 50957 1 552 . 1 . 1 40 40 LYS C C 13 176.915 0.000 . 1 . . . . . 40 LYS C . 50957 1 553 . 1 . 1 40 40 LYS CA C 13 54.476 0.050 . 1 . . . . . 40 LYS CA . 50957 1 554 . 1 . 1 40 40 LYS CB C 13 31.909 0.045 . 1 . . . . . 40 LYS CB . 50957 1 555 . 1 . 1 40 40 LYS CG C 13 23.459 0.002 . 1 . . . . . 40 LYS CG . 50957 1 556 . 1 . 1 40 40 LYS CD C 13 26.908 0.004 . 1 . . . . . 40 LYS CD . 50957 1 557 . 1 . 1 40 40 LYS CE C 13 40.990 0.001 . 1 . . . . . 40 LYS CE . 50957 1 558 . 1 . 1 40 40 LYS N N 15 128.401 0.022 . 1 . . . . . 40 LYS N . 50957 1 559 . 1 . 1 41 41 GLU H H 1 7.824 0.003 . 1 . . . . . 41 GLU H . 50957 1 560 . 1 . 1 41 41 GLU HA H 1 4.490 0.000 . 1 . . . . . 41 GLU HA . 50957 1 561 . 1 . 1 41 41 GLU HB2 H 1 1.857 0.000 . 2 . . . . . 41 GLU HB2 . 50957 1 562 . 1 . 1 41 41 GLU HB3 H 1 1.780 0.000 . 2 . . . . . 41 GLU HB3 . 50957 1 563 . 1 . 1 41 41 GLU HG2 H 1 2.053 0.000 . 1 . . . . . 41 GLU HG2 . 50957 1 564 . 1 . 1 41 41 GLU HG3 H 1 2.053 0.000 . 1 . . . . . 41 GLU HG3 . 50957 1 565 . 1 . 1 41 41 GLU C C 13 173.474 0.000 . 1 . . . . . 41 GLU C . 50957 1 566 . 1 . 1 41 41 GLU CA C 13 55.203 0.024 . 1 . . . . . 41 GLU CA . 50957 1 567 . 1 . 1 41 41 GLU CB C 13 33.980 0.009 . 1 . . . . . 41 GLU CB . 50957 1 568 . 1 . 1 41 41 GLU CG C 13 35.918 0.002 . 1 . . . . . 41 GLU CG . 50957 1 569 . 1 . 1 41 41 GLU N N 15 117.006 0.027 . 1 . . . . . 41 GLU N . 50957 1 570 . 1 . 1 42 42 VAL H H 1 8.813 0.003 . 1 . . . . . 42 VAL H . 50957 1 571 . 1 . 1 42 42 VAL HA H 1 4.466 0.000 . 1 . . . . . 42 VAL HA . 50957 1 572 . 1 . 1 42 42 VAL HB H 1 1.755 0.004 . 1 . . . . . 42 VAL HB . 50957 1 573 . 1 . 1 42 42 VAL HG11 H 1 0.586 0.000 . 2 . . . . . 42 VAL HG11 . 50957 1 574 . 1 . 1 42 42 VAL HG12 H 1 0.586 0.000 . 2 . . . . . 42 VAL HG12 . 50957 1 575 . 1 . 1 42 42 VAL HG13 H 1 0.586 0.000 . 2 . . . . . 42 VAL HG13 . 50957 1 576 . 1 . 1 42 42 VAL HG21 H 1 0.388 0.000 . 2 . . . . . 42 VAL HG21 . 50957 1 577 . 1 . 1 42 42 VAL HG22 H 1 0.388 0.000 . 2 . . . . . 42 VAL HG22 . 50957 1 578 . 1 . 1 42 42 VAL HG23 H 1 0.388 0.000 . 2 . . . . . 42 VAL HG23 . 50957 1 579 . 1 . 1 42 42 VAL C C 13 175.209 0.000 . 1 . . . . . 42 VAL C . 50957 1 580 . 1 . 1 42 42 VAL CA C 13 61.641 0.040 . 1 . . . . . 42 VAL CA . 50957 1 581 . 1 . 1 42 42 VAL CB C 13 32.693 0.017 . 1 . . . . . 42 VAL CB . 50957 1 582 . 1 . 1 42 42 VAL CG1 C 13 21.291 0.000 . 2 . . . . . 42 VAL CG1 . 50957 1 583 . 1 . 1 42 42 VAL CG2 C 13 21.775 0.001 . 2 . . . . . 42 VAL CG2 . 50957 1 584 . 1 . 1 42 42 VAL N N 15 123.832 0.023 . 1 . . . . . 42 VAL N . 50957 1 585 . 1 . 1 43 43 ILE H H 1 9.148 0.003 . 1 . . . . . 43 ILE H . 50957 1 586 . 1 . 1 43 43 ILE HA H 1 4.085 0.000 . 1 . . . . . 43 ILE HA . 50957 1 587 . 1 . 1 43 43 ILE HB H 1 1.371 0.000 . 1 . . . . . 43 ILE HB . 50957 1 588 . 1 . 1 43 43 ILE HG12 H 1 1.168 0.000 . 2 . . . . . 43 ILE HG12 . 50957 1 589 . 1 . 1 43 43 ILE HG13 H 1 0.944 0.001 . 2 . . . . . 43 ILE HG13 . 50957 1 590 . 1 . 1 43 43 ILE HG21 H 1 0.784 0.001 . 1 . . . . . 43 ILE HG21 . 50957 1 591 . 1 . 1 43 43 ILE HG22 H 1 0.784 0.001 . 1 . . . . . 43 ILE HG22 . 50957 1 592 . 1 . 1 43 43 ILE HG23 H 1 0.784 0.001 . 1 . . . . . 43 ILE HG23 . 50957 1 593 . 1 . 1 43 43 ILE HD11 H 1 0.658 0.000 . 1 . . . . . 43 ILE HD11 . 50957 1 594 . 1 . 1 43 43 ILE HD12 H 1 0.658 0.000 . 1 . . . . . 43 ILE HD12 . 50957 1 595 . 1 . 1 43 43 ILE HD13 H 1 0.658 0.000 . 1 . . . . . 43 ILE HD13 . 50957 1 596 . 1 . 1 43 43 ILE C C 13 174.621 0.000 . 1 . . . . . 43 ILE C . 50957 1 597 . 1 . 1 43 43 ILE CA C 13 60.314 0.041 . 1 . . . . . 43 ILE CA . 50957 1 598 . 1 . 1 43 43 ILE CB C 13 40.023 0.032 . 1 . . . . . 43 ILE CB . 50957 1 599 . 1 . 1 43 43 ILE CG1 C 13 27.354 0.002 . 1 . . . . . 43 ILE CG1 . 50957 1 600 . 1 . 1 43 43 ILE CG2 C 13 17.314 0.000 . 1 . . . . . 43 ILE CG2 . 50957 1 601 . 1 . 1 43 43 ILE CD1 C 13 13.893 0.002 . 1 . . . . . 43 ILE CD1 . 50957 1 602 . 1 . 1 43 43 ILE N N 15 129.915 0.027 . 1 . . . . . 43 ILE N . 50957 1 603 . 1 . 1 44 44 ASP H H 1 8.999 0.003 . 1 . . . . . 44 ASP H . 50957 1 604 . 1 . 1 44 44 ASP HA H 1 4.201 0.000 . 1 . . . . . 44 ASP HA . 50957 1 605 . 1 . 1 44 44 ASP HB2 H 1 2.579 0.000 . 2 . . . . . 44 ASP HB2 . 50957 1 606 . 1 . 1 44 44 ASP HB3 H 1 2.859 0.000 . 2 . . . . . 44 ASP HB3 . 50957 1 607 . 1 . 1 44 44 ASP C C 13 176.652 0.000 . 1 . . . . . 44 ASP C . 50957 1 608 . 1 . 1 44 44 ASP CA C 13 55.121 0.018 . 1 . . . . . 44 ASP CA . 50957 1 609 . 1 . 1 44 44 ASP CB C 13 39.833 0.036 . 1 . . . . . 44 ASP CB . 50957 1 610 . 1 . 1 44 44 ASP N N 15 125.477 0.043 . 1 . . . . . 44 ASP N . 50957 1 611 . 1 . 1 45 45 LYS H H 1 8.320 0.003 . 1 . . . . . 45 LYS H . 50957 1 612 . 1 . 1 45 45 LYS HA H 1 3.127 0.001 . 1 . . . . . 45 LYS HA . 50957 1 613 . 1 . 1 45 45 LYS HB2 H 1 0.337 0.000 . 2 . . . . . 45 LYS HB2 . 50957 1 614 . 1 . 1 45 45 LYS HB3 H 1 1.560 0.000 . 2 . . . . . 45 LYS HB3 . 50957 1 615 . 1 . 1 45 45 LYS HG2 H 1 0.558 0.000 . 2 . . . . . 45 LYS HG2 . 50957 1 616 . 1 . 1 45 45 LYS HG3 H 1 0.848 0.000 . 2 . . . . . 45 LYS HG3 . 50957 1 617 . 1 . 1 45 45 LYS HD2 H 1 0.693 0.000 . 2 . . . . . 45 LYS HD2 . 50957 1 618 . 1 . 1 45 45 LYS HD3 H 1 0.757 0.000 . 2 . . . . . 45 LYS HD3 . 50957 1 619 . 1 . 1 45 45 LYS HE2 H 1 2.562 0.000 . 1 . . . . . 45 LYS HE2 . 50957 1 620 . 1 . 1 45 45 LYS HE3 H 1 2.562 0.000 . 1 . . . . . 45 LYS HE3 . 50957 1 621 . 1 . 1 45 45 LYS C C 13 178.030 0.000 . 1 . . . . . 45 LYS C . 50957 1 622 . 1 . 1 45 45 LYS CA C 13 61.714 0.025 . 1 . . . . . 45 LYS CA . 50957 1 623 . 1 . 1 45 45 LYS CB C 13 31.230 0.012 . 1 . . . . . 45 LYS CB . 50957 1 624 . 1 . 1 45 45 LYS CG C 13 25.072 0.002 . 1 . . . . . 45 LYS CG . 50957 1 625 . 1 . 1 45 45 LYS CD C 13 28.580 0.001 . 1 . . . . . 45 LYS CD . 50957 1 626 . 1 . 1 45 45 LYS CE C 13 42.035 0.004 . 1 . . . . . 45 LYS CE . 50957 1 627 . 1 . 1 45 45 LYS N N 15 110.072 0.024 . 1 . . . . . 45 LYS N . 50957 1 628 . 1 . 1 46 46 TYR H H 1 8.434 0.004 . 1 . . . . . 46 TYR H . 50957 1 629 . 1 . 1 46 46 TYR HA H 1 4.255 0.001 . 1 . . . . . 46 TYR HA . 50957 1 630 . 1 . 1 46 46 TYR HB2 H 1 3.406 0.000 . 2 . . . . . 46 TYR HB2 . 50957 1 631 . 1 . 1 46 46 TYR HB3 H 1 2.808 0.000 . 2 . . . . . 46 TYR HB3 . 50957 1 632 . 1 . 1 46 46 TYR HD1 H 1 7.216 0.000 . 1 . . . . . 46 TYR HD1 . 50957 1 633 . 1 . 1 46 46 TYR HD2 H 1 7.216 0.000 . 1 . . . . . 46 TYR HD2 . 50957 1 634 . 1 . 1 46 46 TYR HE1 H 1 6.795 0.000 . 1 . . . . . 46 TYR HE1 . 50957 1 635 . 1 . 1 46 46 TYR HE2 H 1 6.795 0.000 . 1 . . . . . 46 TYR HE2 . 50957 1 636 . 1 . 1 46 46 TYR C C 13 173.746 0.000 . 1 . . . . . 46 TYR C . 50957 1 637 . 1 . 1 46 46 TYR CA C 13 59.565 0.056 . 1 . . . . . 46 TYR CA . 50957 1 638 . 1 . 1 46 46 TYR CB C 13 40.935 0.017 . 1 . . . . . 46 TYR CB . 50957 1 639 . 1 . 1 46 46 TYR CD1 C 13 133.785 0.000 . 1 . . . . . 46 TYR CD1 . 50957 1 640 . 1 . 1 46 46 TYR CD2 C 13 133.785 0.000 . 1 . . . . . 46 TYR CD2 . 50957 1 641 . 1 . 1 46 46 TYR CE1 C 13 117.898 0.000 . 1 . . . . . 46 TYR CE1 . 50957 1 642 . 1 . 1 46 46 TYR CE2 C 13 117.898 0.000 . 1 . . . . . 46 TYR CE2 . 50957 1 643 . 1 . 1 46 46 TYR N N 15 117.979 0.037 . 1 . . . . . 46 TYR N . 50957 1 644 . 1 . 1 47 47 THR H H 1 7.486 0.004 . 1 . . . . . 47 THR H . 50957 1 645 . 1 . 1 47 47 THR HA H 1 4.694 0.000 . 1 . . . . . 47 THR HA . 50957 1 646 . 1 . 1 47 47 THR HB H 1 4.120 0.000 . 1 . . . . . 47 THR HB . 50957 1 647 . 1 . 1 47 47 THR HG21 H 1 0.999 0.000 . 1 . . . . . 47 THR HG21 . 50957 1 648 . 1 . 1 47 47 THR HG22 H 1 0.999 0.000 . 1 . . . . . 47 THR HG22 . 50957 1 649 . 1 . 1 47 47 THR HG23 H 1 0.999 0.000 . 1 . . . . . 47 THR HG23 . 50957 1 650 . 1 . 1 47 47 THR C C 13 171.973 0.000 . 1 . . . . . 47 THR C . 50957 1 651 . 1 . 1 47 47 THR CA C 13 61.746 0.032 . 1 . . . . . 47 THR CA . 50957 1 652 . 1 . 1 47 47 THR CB C 13 69.959 0.004 . 1 . . . . . 47 THR CB . 50957 1 653 . 1 . 1 47 47 THR CG2 C 13 21.519 0.000 . 1 . . . . . 47 THR CG2 . 50957 1 654 . 1 . 1 47 47 THR N N 15 113.680 0.021 . 1 . . . . . 47 THR N . 50957 1 655 . 1 . 1 48 48 ALA H H 1 9.136 0.004 . 1 . . . . . 48 ALA H . 50957 1 656 . 1 . 1 48 48 ALA HA H 1 5.179 0.003 . 1 . . . . . 48 ALA HA . 50957 1 657 . 1 . 1 48 48 ALA HB1 H 1 1.141 0.001 . 1 . . . . . 48 ALA HB1 . 50957 1 658 . 1 . 1 48 48 ALA HB2 H 1 1.141 0.001 . 1 . . . . . 48 ALA HB2 . 50957 1 659 . 1 . 1 48 48 ALA HB3 H 1 1.141 0.001 . 1 . . . . . 48 ALA HB3 . 50957 1 660 . 1 . 1 48 48 ALA C C 13 176.084 0.000 . 1 . . . . . 48 ALA C . 50957 1 661 . 1 . 1 48 48 ALA CA C 13 49.869 0.024 . 1 . . . . . 48 ALA CA . 50957 1 662 . 1 . 1 48 48 ALA CB C 13 23.387 0.011 . 1 . . . . . 48 ALA CB . 50957 1 663 . 1 . 1 48 48 ALA N N 15 126.212 0.025 . 1 . . . . . 48 ALA N . 50957 1 664 . 1 . 1 49 49 VAL H H 1 8.527 0.004 . 1 . . . . . 49 VAL H . 50957 1 665 . 1 . 1 49 49 VAL HA H 1 4.737 0.000 . 1 . . . . . 49 VAL HA . 50957 1 666 . 1 . 1 49 49 VAL HB H 1 1.858 0.000 . 1 . . . . . 49 VAL HB . 50957 1 667 . 1 . 1 49 49 VAL HG11 H 1 0.793 0.000 . 2 . . . . . 49 VAL HG11 . 50957 1 668 . 1 . 1 49 49 VAL HG12 H 1 0.793 0.000 . 2 . . . . . 49 VAL HG12 . 50957 1 669 . 1 . 1 49 49 VAL HG13 H 1 0.793 0.000 . 2 . . . . . 49 VAL HG13 . 50957 1 670 . 1 . 1 49 49 VAL HG21 H 1 0.813 0.000 . 2 . . . . . 49 VAL HG21 . 50957 1 671 . 1 . 1 49 49 VAL HG22 H 1 0.813 0.000 . 2 . . . . . 49 VAL HG22 . 50957 1 672 . 1 . 1 49 49 VAL HG23 H 1 0.813 0.000 . 2 . . . . . 49 VAL HG23 . 50957 1 673 . 1 . 1 49 49 VAL C C 13 176.614 0.000 . 1 . . . . . 49 VAL C . 50957 1 674 . 1 . 1 49 49 VAL CA C 13 62.209 0.039 . 1 . . . . . 49 VAL CA . 50957 1 675 . 1 . 1 49 49 VAL CB C 13 32.346 0.073 . 1 . . . . . 49 VAL CB . 50957 1 676 . 1 . 1 49 49 VAL CG1 C 13 20.894 0.004 . 1 . . . . . 49 VAL CG1 . 50957 1 677 . 1 . 1 49 49 VAL CG2 C 13 20.894 0.004 . 1 . . . . . 49 VAL CG2 . 50957 1 678 . 1 . 1 49 49 VAL N N 15 120.096 0.024 . 1 . . . . . 49 VAL N . 50957 1 679 . 1 . 1 50 50 VAL H H 1 9.302 0.003 . 1 . . . . . 50 VAL H . 50957 1 680 . 1 . 1 50 50 VAL HA H 1 5.372 0.001 . 1 . . . . . 50 VAL HA . 50957 1 681 . 1 . 1 50 50 VAL HB H 1 1.836 0.000 . 1 . . . . . 50 VAL HB . 50957 1 682 . 1 . 1 50 50 VAL HG11 H 1 0.586 0.000 . 2 . . . . . 50 VAL HG11 . 50957 1 683 . 1 . 1 50 50 VAL HG12 H 1 0.586 0.000 . 2 . . . . . 50 VAL HG12 . 50957 1 684 . 1 . 1 50 50 VAL HG13 H 1 0.586 0.000 . 2 . . . . . 50 VAL HG13 . 50957 1 685 . 1 . 1 50 50 VAL HG21 H 1 0.667 0.000 . 2 . . . . . 50 VAL HG21 . 50957 1 686 . 1 . 1 50 50 VAL HG22 H 1 0.667 0.000 . 2 . . . . . 50 VAL HG22 . 50957 1 687 . 1 . 1 50 50 VAL HG23 H 1 0.667 0.000 . 2 . . . . . 50 VAL HG23 . 50957 1 688 . 1 . 1 50 50 VAL C C 13 173.255 0.000 . 1 . . . . . 50 VAL C . 50957 1 689 . 1 . 1 50 50 VAL CA C 13 57.389 0.019 . 1 . . . . . 50 VAL CA . 50957 1 690 . 1 . 1 50 50 VAL CB C 13 33.637 0.044 . 1 . . . . . 50 VAL CB . 50957 1 691 . 1 . 1 50 50 VAL CG1 C 13 19.146 0.042 . 2 . . . . . 50 VAL CG1 . 50957 1 692 . 1 . 1 50 50 VAL CG2 C 13 21.862 0.039 . 2 . . . . . 50 VAL CG2 . 50957 1 693 . 1 . 1 50 50 VAL N N 15 120.113 0.028 . 1 . . . . . 50 VAL N . 50957 1 694 . 1 . 1 51 51 LYS H H 1 8.938 0.003 . 1 . . . . . 51 LYS H . 50957 1 695 . 1 . 1 51 51 LYS HA H 1 4.994 0.000 . 1 . . . . . 51 LYS HA . 50957 1 696 . 1 . 1 51 51 LYS HB2 H 1 1.344 0.000 . 2 . . . . . 51 LYS HB2 . 50957 1 697 . 1 . 1 51 51 LYS HB3 H 1 1.705 0.000 . 2 . . . . . 51 LYS HB3 . 50957 1 698 . 1 . 1 51 51 LYS HG2 H 1 1.235 0.000 . 2 . . . . . 51 LYS HG2 . 50957 1 699 . 1 . 1 51 51 LYS HG3 H 1 1.163 0.000 . 2 . . . . . 51 LYS HG3 . 50957 1 700 . 1 . 1 51 51 LYS HD2 H 1 1.620 0.000 . 1 . . . . . 51 LYS HD2 . 50957 1 701 . 1 . 1 51 51 LYS HD3 H 1 1.620 0.000 . 1 . . . . . 51 LYS HD3 . 50957 1 702 . 1 . 1 51 51 LYS HE2 H 1 3.005 0.000 . 1 . . . . . 51 LYS HE2 . 50957 1 703 . 1 . 1 51 51 LYS HE3 H 1 3.005 0.000 . 1 . . . . . 51 LYS HE3 . 50957 1 704 . 1 . 1 51 51 LYS C C 13 176.446 0.000 . 1 . . . . . 51 LYS C . 50957 1 705 . 1 . 1 51 51 LYS CA C 13 53.883 0.032 . 1 . . . . . 51 LYS CA . 50957 1 706 . 1 . 1 51 51 LYS CB C 13 36.114 0.009 . 1 . . . . . 51 LYS CB . 50957 1 707 . 1 . 1 51 51 LYS CG C 13 24.894 0.001 . 1 . . . . . 51 LYS CG . 50957 1 708 . 1 . 1 51 51 LYS CD C 13 29.884 0.001 . 1 . . . . . 51 LYS CD . 50957 1 709 . 1 . 1 51 51 LYS CE C 13 42.088 0.001 . 1 . . . . . 51 LYS CE . 50957 1 710 . 1 . 1 51 51 LYS N N 15 121.038 0.031 . 1 . . . . . 51 LYS N . 50957 1 711 . 1 . 1 52 52 MET H H 1 9.191 0.003 . 1 . . . . . 52 MET H . 50957 1 712 . 1 . 1 52 52 MET HA H 1 4.632 0.000 . 1 . . . . . 52 MET HA . 50957 1 713 . 1 . 1 52 52 MET HB2 H 1 2.413 0.000 . 2 . . . . . 52 MET HB2 . 50957 1 714 . 1 . 1 52 52 MET HB3 H 1 2.299 0.000 . 2 . . . . . 52 MET HB3 . 50957 1 715 . 1 . 1 52 52 MET HG2 H 1 2.957 0.000 . 2 . . . . . 52 MET HG2 . 50957 1 716 . 1 . 1 52 52 MET HG3 H 1 2.475 0.000 . 2 . . . . . 52 MET HG3 . 50957 1 717 . 1 . 1 52 52 MET C C 13 178.973 0.000 . 1 . . . . . 52 MET C . 50957 1 718 . 1 . 1 52 52 MET CA C 13 54.420 0.039 . 1 . . . . . 52 MET CA . 50957 1 719 . 1 . 1 52 52 MET CB C 13 29.738 0.026 . 1 . . . . . 52 MET CB . 50957 1 720 . 1 . 1 52 52 MET CG C 13 30.510 0.001 . 1 . . . . . 52 MET CG . 50957 1 721 . 1 . 1 52 52 MET N N 15 125.616 0.031 . 1 . . . . . 52 MET N . 50957 1 722 . 1 . 1 53 53 ILE H H 1 8.355 0.005 . 1 . . . . . 53 ILE H . 50957 1 723 . 1 . 1 53 53 ILE HA H 1 3.748 0.000 . 1 . . . . . 53 ILE HA . 50957 1 724 . 1 . 1 53 53 ILE HB H 1 1.769 0.000 . 1 . . . . . 53 ILE HB . 50957 1 725 . 1 . 1 53 53 ILE HG12 H 1 1.176 0.000 . 2 . . . . . 53 ILE HG12 . 50957 1 726 . 1 . 1 53 53 ILE HG13 H 1 1.590 0.000 . 2 . . . . . 53 ILE HG13 . 50957 1 727 . 1 . 1 53 53 ILE HG21 H 1 0.930 0.000 . 1 . . . . . 53 ILE HG21 . 50957 1 728 . 1 . 1 53 53 ILE HG22 H 1 0.930 0.000 . 1 . . . . . 53 ILE HG22 . 50957 1 729 . 1 . 1 53 53 ILE HG23 H 1 0.930 0.000 . 1 . . . . . 53 ILE HG23 . 50957 1 730 . 1 . 1 53 53 ILE HD11 H 1 0.879 0.000 . 1 . . . . . 53 ILE HD11 . 50957 1 731 . 1 . 1 53 53 ILE HD12 H 1 0.879 0.000 . 1 . . . . . 53 ILE HD12 . 50957 1 732 . 1 . 1 53 53 ILE HD13 H 1 0.879 0.000 . 1 . . . . . 53 ILE HD13 . 50957 1 733 . 1 . 1 53 53 ILE C C 13 177.249 0.000 . 1 . . . . . 53 ILE C . 50957 1 734 . 1 . 1 53 53 ILE CA C 13 65.301 0.059 . 1 . . . . . 53 ILE CA . 50957 1 735 . 1 . 1 53 53 ILE CB C 13 38.178 0.018 . 1 . . . . . 53 ILE CB . 50957 1 736 . 1 . 1 53 53 ILE CG1 C 13 29.431 0.026 . 1 . . . . . 53 ILE CG1 . 50957 1 737 . 1 . 1 53 53 ILE CG2 C 13 17.041 0.005 . 1 . . . . . 53 ILE CG2 . 50957 1 738 . 1 . 1 53 53 ILE CD1 C 13 13.454 0.000 . 1 . . . . . 53 ILE CD1 . 50957 1 739 . 1 . 1 53 53 ILE N N 15 124.392 0.028 . 1 . . . . . 53 ILE N . 50957 1 740 . 1 . 1 54 54 ASP H H 1 8.965 0.003 . 1 . . . . . 54 ASP H . 50957 1 741 . 1 . 1 54 54 ASP HA H 1 4.525 0.000 . 1 . . . . . 54 ASP HA . 50957 1 742 . 1 . 1 54 54 ASP HB2 H 1 2.811 0.000 . 1 . . . . . 54 ASP HB2 . 50957 1 743 . 1 . 1 54 54 ASP HB3 H 1 2.811 0.000 . 1 . . . . . 54 ASP HB3 . 50957 1 744 . 1 . 1 54 54 ASP C C 13 177.340 0.000 . 1 . . . . . 54 ASP C . 50957 1 745 . 1 . 1 54 54 ASP CA C 13 56.190 0.016 . 1 . . . . . 54 ASP CA . 50957 1 746 . 1 . 1 54 54 ASP CB C 13 40.300 0.016 . 1 . . . . . 54 ASP CB . 50957 1 747 . 1 . 1 54 54 ASP N N 15 117.146 0.038 . 1 . . . . . 54 ASP N . 50957 1 748 . 1 . 1 55 55 SER H H 1 7.798 0.006 . 1 . . . . . 55 SER H . 50957 1 749 . 1 . 1 55 55 SER HA H 1 4.469 0.000 . 1 . . . . . 55 SER HA . 50957 1 750 . 1 . 1 55 55 SER HB2 H 1 3.995 0.000 . 2 . . . . . 55 SER HB2 . 50957 1 751 . 1 . 1 55 55 SER HB3 H 1 3.850 0.000 . 2 . . . . . 55 SER HB3 . 50957 1 752 . 1 . 1 55 55 SER C C 13 175.748 0.000 . 1 . . . . . 55 SER C . 50957 1 753 . 1 . 1 55 55 SER CA C 13 58.807 0.024 . 1 . . . . . 55 SER CA . 50957 1 754 . 1 . 1 55 55 SER CB C 13 65.357 0.042 . 1 . . . . . 55 SER CB . 50957 1 755 . 1 . 1 55 55 SER N N 15 110.915 0.021 . 1 . . . . . 55 SER N . 50957 1 756 . 1 . 1 56 56 GLY H H 1 7.654 0.005 . 1 . . . . . 56 GLY H . 50957 1 757 . 1 . 1 56 56 GLY HA2 H 1 4.238 0.000 . 2 . . . . . 56 GLY HA2 . 50957 1 758 . 1 . 1 56 56 GLY HA3 H 1 3.830 0.000 . 2 . . . . . 56 GLY HA3 . 50957 1 759 . 1 . 1 56 56 GLY C C 13 173.478 0.000 . 1 . . . . . 56 GLY C . 50957 1 760 . 1 . 1 56 56 GLY CA C 13 45.857 0.006 . 1 . . . . . 56 GLY CA . 50957 1 761 . 1 . 1 56 56 GLY N N 15 109.850 0.033 . 1 . . . . . 56 GLY N . 50957 1 762 . 1 . 1 57 57 ASP H H 1 7.698 0.004 . 1 . . . . . 57 ASP H . 50957 1 763 . 1 . 1 57 57 ASP HA H 1 4.384 0.000 . 1 . . . . . 57 ASP HA . 50957 1 764 . 1 . 1 57 57 ASP HB2 H 1 2.600 0.000 . 2 . . . . . 57 ASP HB2 . 50957 1 765 . 1 . 1 57 57 ASP HB3 H 1 2.452 0.000 . 2 . . . . . 57 ASP HB3 . 50957 1 766 . 1 . 1 57 57 ASP C C 13 174.789 0.000 . 1 . . . . . 57 ASP C . 50957 1 767 . 1 . 1 57 57 ASP CA C 13 55.439 0.013 . 1 . . . . . 57 ASP CA . 50957 1 768 . 1 . 1 57 57 ASP CB C 13 40.468 0.007 . 1 . . . . . 57 ASP CB . 50957 1 769 . 1 . 1 57 57 ASP N N 15 120.385 0.028 . 1 . . . . . 57 ASP N . 50957 1 770 . 1 . 1 58 58 LYS H H 1 8.420 0.004 . 1 . . . . . 58 LYS H . 50957 1 771 . 1 . 1 58 58 LYS HA H 1 5.461 0.000 . 1 . . . . . 58 LYS HA . 50957 1 772 . 1 . 1 58 58 LYS HB2 H 1 1.688 0.000 . 2 . . . . . 58 LYS HB2 . 50957 1 773 . 1 . 1 58 58 LYS HB3 H 1 1.573 0.000 . 2 . . . . . 58 LYS HB3 . 50957 1 774 . 1 . 1 58 58 LYS HG2 H 1 1.502 0.000 . 2 . . . . . 58 LYS HG2 . 50957 1 775 . 1 . 1 58 58 LYS HG3 H 1 1.162 0.000 . 2 . . . . . 58 LYS HG3 . 50957 1 776 . 1 . 1 58 58 LYS HD2 H 1 1.620 0.000 . 1 . . . . . 58 LYS HD2 . 50957 1 777 . 1 . 1 58 58 LYS HD3 H 1 1.620 0.000 . 1 . . . . . 58 LYS HD3 . 50957 1 778 . 1 . 1 58 58 LYS HE2 H 1 2.845 0.000 . 1 . . . . . 58 LYS HE2 . 50957 1 779 . 1 . 1 58 58 LYS HE3 H 1 2.845 0.000 . 1 . . . . . 58 LYS HE3 . 50957 1 780 . 1 . 1 58 58 LYS C C 13 176.164 0.000 . 1 . . . . . 58 LYS C . 50957 1 781 . 1 . 1 58 58 LYS CA C 13 54.817 0.049 . 1 . . . . . 58 LYS CA . 50957 1 782 . 1 . 1 58 58 LYS CB C 13 33.798 0.020 . 1 . . . . . 58 LYS CB . 50957 1 783 . 1 . 1 58 58 LYS CG C 13 24.987 0.005 . 1 . . . . . 58 LYS CG . 50957 1 784 . 1 . 1 58 58 LYS CD C 13 29.051 0.001 . 1 . . . . . 58 LYS CD . 50957 1 785 . 1 . 1 58 58 LYS CE C 13 41.724 0.000 . 1 . . . . . 58 LYS CE . 50957 1 786 . 1 . 1 58 58 LYS N N 15 120.893 0.028 . 1 . . . . . 58 LYS N . 50957 1 787 . 1 . 1 59 59 LEU H H 1 8.419 0.004 . 1 . . . . . 59 LEU H . 50957 1 788 . 1 . 1 59 59 LEU HA H 1 4.616 0.000 . 1 . . . . . 59 LEU HA . 50957 1 789 . 1 . 1 59 59 LEU HB2 H 1 1.170 0.001 . 1 . . . . . 59 LEU HB2 . 50957 1 790 . 1 . 1 59 59 LEU HB3 H 1 1.170 0.001 . 1 . . . . . 59 LEU HB3 . 50957 1 791 . 1 . 1 59 59 LEU HG H 1 1.040 0.000 . 1 . . . . . 59 LEU HG . 50957 1 792 . 1 . 1 59 59 LEU HD11 H 1 0.422 0.001 . 2 . . . . . 59 LEU HD11 . 50957 1 793 . 1 . 1 59 59 LEU HD12 H 1 0.422 0.001 . 2 . . . . . 59 LEU HD12 . 50957 1 794 . 1 . 1 59 59 LEU HD13 H 1 0.422 0.001 . 2 . . . . . 59 LEU HD13 . 50957 1 795 . 1 . 1 59 59 LEU HD21 H 1 0.121 0.000 . 2 . . . . . 59 LEU HD21 . 50957 1 796 . 1 . 1 59 59 LEU HD22 H 1 0.121 0.000 . 2 . . . . . 59 LEU HD22 . 50957 1 797 . 1 . 1 59 59 LEU HD23 H 1 0.121 0.000 . 2 . . . . . 59 LEU HD23 . 50957 1 798 . 1 . 1 59 59 LEU C C 13 174.198 0.000 . 1 . . . . . 59 LEU C . 50957 1 799 . 1 . 1 59 59 LEU CA C 13 53.615 0.029 . 1 . . . . . 59 LEU CA . 50957 1 800 . 1 . 1 59 59 LEU CB C 13 46.414 0.017 . 1 . . . . . 59 LEU CB . 50957 1 801 . 1 . 1 59 59 LEU CG C 13 27.189 0.001 . 1 . . . . . 59 LEU CG . 50957 1 802 . 1 . 1 59 59 LEU CD1 C 13 23.596 0.027 . 2 . . . . . 59 LEU CD1 . 50957 1 803 . 1 . 1 59 59 LEU CD2 C 13 25.095 0.055 . 2 . . . . . 59 LEU CD2 . 50957 1 804 . 1 . 1 59 59 LEU N N 15 123.496 0.039 . 1 . . . . . 59 LEU N . 50957 1 805 . 1 . 1 60 60 LYS H H 1 8.137 0.003 . 1 . . . . . 60 LYS H . 50957 1 806 . 1 . 1 60 60 LYS HA H 1 5.407 0.000 . 1 . . . . . 60 LYS HA . 50957 1 807 . 1 . 1 60 60 LYS HB2 H 1 1.702 0.000 . 2 . . . . . 60 LYS HB2 . 50957 1 808 . 1 . 1 60 60 LYS HB3 H 1 1.511 0.000 . 2 . . . . . 60 LYS HB3 . 50957 1 809 . 1 . 1 60 60 LYS HG2 H 1 1.156 0.000 . 2 . . . . . 60 LYS HG2 . 50957 1 810 . 1 . 1 60 60 LYS HG3 H 1 1.113 0.000 . 2 . . . . . 60 LYS HG3 . 50957 1 811 . 1 . 1 60 60 LYS HD2 H 1 1.560 0.000 . 1 . . . . . 60 LYS HD2 . 50957 1 812 . 1 . 1 60 60 LYS HD3 H 1 1.561 0.000 . 1 . . . . . 60 LYS HD3 . 50957 1 813 . 1 . 1 60 60 LYS HE2 H 1 2.794 0.001 . 1 . . . . . 60 LYS HE2 . 50957 1 814 . 1 . 1 60 60 LYS HE3 H 1 2.794 0.001 . 1 . . . . . 60 LYS HE3 . 50957 1 815 . 1 . 1 60 60 LYS C C 13 175.350 0.000 . 1 . . . . . 60 LYS C . 50957 1 816 . 1 . 1 60 60 LYS CA C 13 54.937 0.040 . 1 . . . . . 60 LYS CA . 50957 1 817 . 1 . 1 60 60 LYS CB C 13 33.838 0.012 . 1 . . . . . 60 LYS CB . 50957 1 818 . 1 . 1 60 60 LYS CG C 13 25.144 0.002 . 1 . . . . . 60 LYS CG . 50957 1 819 . 1 . 1 60 60 LYS CD C 13 29.343 0.000 . 1 . . . . . 60 LYS CD . 50957 1 820 . 1 . 1 60 60 LYS CE C 13 41.677 0.001 . 1 . . . . . 60 LYS CE . 50957 1 821 . 1 . 1 60 60 LYS N N 15 122.512 0.037 . 1 . . . . . 60 LYS N . 50957 1 822 . 1 . 1 61 61 LEU H H 1 9.098 0.003 . 1 . . . . . 61 LEU H . 50957 1 823 . 1 . 1 61 61 LEU HA H 1 4.885 0.000 . 1 . . . . . 61 LEU HA . 50957 1 824 . 1 . 1 61 61 LEU HB2 H 1 1.796 0.001 . 2 . . . . . 61 LEU HB2 . 50957 1 825 . 1 . 1 61 61 LEU HB3 H 1 1.643 0.000 . 2 . . . . . 61 LEU HB3 . 50957 1 826 . 1 . 1 61 61 LEU HG H 1 1.596 0.000 . 1 . . . . . 61 LEU HG . 50957 1 827 . 1 . 1 61 61 LEU HD11 H 1 0.768 0.000 . 2 . . . . . 61 LEU HD11 . 50957 1 828 . 1 . 1 61 61 LEU HD12 H 1 0.768 0.000 . 2 . . . . . 61 LEU HD12 . 50957 1 829 . 1 . 1 61 61 LEU HD13 H 1 0.768 0.000 . 2 . . . . . 61 LEU HD13 . 50957 1 830 . 1 . 1 61 61 LEU HD21 H 1 0.823 0.001 . 2 . . . . . 61 LEU HD21 . 50957 1 831 . 1 . 1 61 61 LEU HD22 H 1 0.823 0.001 . 2 . . . . . 61 LEU HD22 . 50957 1 832 . 1 . 1 61 61 LEU HD23 H 1 0.823 0.001 . 2 . . . . . 61 LEU HD23 . 50957 1 833 . 1 . 1 61 61 LEU C C 13 174.226 0.000 . 1 . . . . . 61 LEU C . 50957 1 834 . 1 . 1 61 61 LEU CA C 13 54.230 0.045 . 1 . . . . . 61 LEU CA . 50957 1 835 . 1 . 1 61 61 LEU CB C 13 45.930 0.026 . 1 . . . . . 61 LEU CB . 50957 1 836 . 1 . 1 61 61 LEU CG C 13 27.157 0.002 . 1 . . . . . 61 LEU CG . 50957 1 837 . 1 . 1 61 61 LEU CD1 C 13 27.566 0.002 . 2 . . . . . 61 LEU CD1 . 50957 1 838 . 1 . 1 61 61 LEU CD2 C 13 25.398 0.007 . 2 . . . . . 61 LEU CD2 . 50957 1 839 . 1 . 1 61 61 LEU N N 15 125.714 0.044 . 1 . . . . . 61 LEU N . 50957 1 840 . 1 . 1 62 62 ASP H H 1 8.862 0.003 . 1 . . . . . 62 ASP H . 50957 1 841 . 1 . 1 62 62 ASP HA H 1 5.070 0.000 . 1 . . . . . 62 ASP HA . 50957 1 842 . 1 . 1 62 62 ASP HB2 H 1 2.297 0.000 . 2 . . . . . 62 ASP HB2 . 50957 1 843 . 1 . 1 62 62 ASP HB3 H 1 2.669 0.000 . 2 . . . . . 62 ASP HB3 . 50957 1 844 . 1 . 1 62 62 ASP C C 13 177.469 0.000 . 1 . . . . . 62 ASP C . 50957 1 845 . 1 . 1 62 62 ASP CA C 13 54.040 0.019 . 1 . . . . . 62 ASP CA . 50957 1 846 . 1 . 1 62 62 ASP CB C 13 43.938 0.029 . 1 . . . . . 62 ASP CB . 50957 1 847 . 1 . 1 62 62 ASP N N 15 120.148 0.046 . 1 . . . . . 62 ASP N . 50957 1 848 . 1 . 1 63 63 GLN H H 1 8.569 0.004 . 1 . . . . . 63 GLN H . 50957 1 849 . 1 . 1 63 63 GLN HA H 1 3.839 0.001 . 1 . . . . . 63 GLN HA . 50957 1 850 . 1 . 1 63 63 GLN HB2 H 1 1.975 0.000 . 1 . . . . . 63 GLN HB2 . 50957 1 851 . 1 . 1 63 63 GLN HB3 H 1 1.975 0.000 . 1 . . . . . 63 GLN HB3 . 50957 1 852 . 1 . 1 63 63 GLN HG2 H 1 2.121 0.004 . 2 . . . . . 63 GLN HG2 . 50957 1 853 . 1 . 1 63 63 GLN HG3 H 1 2.652 0.002 . 2 . . . . . 63 GLN HG3 . 50957 1 854 . 1 . 1 63 63 GLN HE21 H 1 7.387 0.000 . 1 . . . . . 63 GLN HE21 . 50957 1 855 . 1 . 1 63 63 GLN HE22 H 1 7.629 0.000 . 1 . . . . . 63 GLN HE22 . 50957 1 856 . 1 . 1 63 63 GLN C C 13 176.855 0.000 . 1 . . . . . 63 GLN C . 50957 1 857 . 1 . 1 63 63 GLN CA C 13 59.285 0.025 . 1 . . . . . 63 GLN CA . 50957 1 858 . 1 . 1 63 63 GLN CB C 13 28.036 0.042 . 1 . . . . . 63 GLN CB . 50957 1 859 . 1 . 1 63 63 GLN CG C 13 33.314 0.003 . 1 . . . . . 63 GLN CG . 50957 1 860 . 1 . 1 63 63 GLN N N 15 118.168 0.023 . 1 . . . . . 63 GLN N . 50957 1 861 . 1 . 1 63 63 GLN NE2 N 15 110.453 0.002 . 1 . . . . . 63 GLN NE2 . 50957 1 862 . 1 . 1 64 64 THR H H 1 8.502 0.004 . 1 . . . . . 64 THR H . 50957 1 863 . 1 . 1 64 64 THR HA H 1 4.323 0.000 . 1 . . . . . 64 THR HA . 50957 1 864 . 1 . 1 64 64 THR HB H 1 4.097 0.000 . 1 . . . . . 64 THR HB . 50957 1 865 . 1 . 1 64 64 THR HG21 H 1 1.252 0.000 . 1 . . . . . 64 THR HG21 . 50957 1 866 . 1 . 1 64 64 THR HG22 H 1 1.252 0.000 . 1 . . . . . 64 THR HG22 . 50957 1 867 . 1 . 1 64 64 THR HG23 H 1 1.252 0.000 . 1 . . . . . 64 THR HG23 . 50957 1 868 . 1 . 1 64 64 THR C C 13 175.615 0.000 . 1 . . . . . 64 THR C . 50957 1 869 . 1 . 1 64 64 THR CA C 13 64.394 0.028 . 1 . . . . . 64 THR CA . 50957 1 870 . 1 . 1 64 64 THR CB C 13 69.315 0.028 . 1 . . . . . 64 THR CB . 50957 1 871 . 1 . 1 64 64 THR CG2 C 13 21.834 0.001 . 1 . . . . . 64 THR CG2 . 50957 1 872 . 1 . 1 64 64 THR N N 15 111.394 0.024 . 1 . . . . . 64 THR N . 50957 1 873 . 1 . 1 65 65 HIS H H 1 7.927 0.003 . 1 . . . . . 65 HIS H . 50957 1 874 . 1 . 1 65 65 HIS HA H 1 4.820 0.000 . 1 . . . . . 65 HIS HA . 50957 1 875 . 1 . 1 65 65 HIS HB2 H 1 3.514 0.000 . 2 . . . . . 65 HIS HB2 . 50957 1 876 . 1 . 1 65 65 HIS HB3 H 1 3.227 0.000 . 2 . . . . . 65 HIS HB3 . 50957 1 877 . 1 . 1 65 65 HIS HD2 H 1 7.054 0.000 . 1 . . . . . 65 HIS HD2 . 50957 1 878 . 1 . 1 65 65 HIS HE1 H 1 7.743 0.000 . 1 . . . . . 65 HIS HE1 . 50957 1 879 . 1 . 1 65 65 HIS C C 13 173.957 0.000 . 1 . . . . . 65 HIS C . 50957 1 880 . 1 . 1 65 65 HIS CA C 13 55.836 0.048 . 1 . . . . . 65 HIS CA . 50957 1 881 . 1 . 1 65 65 HIS CB C 13 32.713 0.024 . 1 . . . . . 65 HIS CB . 50957 1 882 . 1 . 1 65 65 HIS CD2 C 13 118.254 0.000 . 1 . . . . . 65 HIS CD2 . 50957 1 883 . 1 . 1 65 65 HIS CE1 C 13 138.468 0.000 . 1 . . . . . 65 HIS CE1 . 50957 1 884 . 1 . 1 65 65 HIS N N 15 119.582 0.038 . 1 . . . . . 65 HIS N . 50957 1 885 . 1 . 1 66 66 LEU H H 1 7.829 0.004 . 1 . . . . . 66 LEU H . 50957 1 886 . 1 . 1 66 66 LEU HA H 1 5.665 0.000 . 1 . . . . . 66 LEU HA . 50957 1 887 . 1 . 1 66 66 LEU HB2 H 1 1.426 0.001 . 2 . . . . . 66 LEU HB2 . 50957 1 888 . 1 . 1 66 66 LEU HB3 H 1 2.191 0.000 . 2 . . . . . 66 LEU HB3 . 50957 1 889 . 1 . 1 66 66 LEU HG H 1 1.761 0.000 . 1 . . . . . 66 LEU HG . 50957 1 890 . 1 . 1 66 66 LEU HD11 H 1 0.901 0.000 . 2 . . . . . 66 LEU HD11 . 50957 1 891 . 1 . 1 66 66 LEU HD12 H 1 0.901 0.000 . 2 . . . . . 66 LEU HD12 . 50957 1 892 . 1 . 1 66 66 LEU HD13 H 1 0.901 0.000 . 2 . . . . . 66 LEU HD13 . 50957 1 893 . 1 . 1 66 66 LEU HD21 H 1 0.644 0.000 . 2 . . . . . 66 LEU HD21 . 50957 1 894 . 1 . 1 66 66 LEU HD22 H 1 0.644 0.000 . 2 . . . . . 66 LEU HD22 . 50957 1 895 . 1 . 1 66 66 LEU HD23 H 1 0.644 0.000 . 2 . . . . . 66 LEU HD23 . 50957 1 896 . 1 . 1 66 66 LEU C C 13 174.910 0.000 . 1 . . . . . 66 LEU C . 50957 1 897 . 1 . 1 66 66 LEU CA C 13 53.397 0.016 . 1 . . . . . 66 LEU CA . 50957 1 898 . 1 . 1 66 66 LEU CB C 13 47.903 0.014 . 1 . . . . . 66 LEU CB . 50957 1 899 . 1 . 1 66 66 LEU CG C 13 26.183 0.001 . 1 . . . . . 66 LEU CG . 50957 1 900 . 1 . 1 66 66 LEU CD1 C 13 24.881 0.000 . 2 . . . . . 66 LEU CD1 . 50957 1 901 . 1 . 1 66 66 LEU CD2 C 13 27.096 0.000 . 2 . . . . . 66 LEU CD2 . 50957 1 902 . 1 . 1 66 66 LEU N N 15 119.478 0.025 . 1 . . . . . 66 LEU N . 50957 1 903 . 1 . 1 67 67 GLU H H 1 8.796 0.003 . 1 . . . . . 67 GLU H . 50957 1 904 . 1 . 1 67 67 GLU HA H 1 4.988 0.000 . 1 . . . . . 67 GLU HA . 50957 1 905 . 1 . 1 67 67 GLU HB2 H 1 2.017 0.000 . 1 . . . . . 67 GLU HB2 . 50957 1 906 . 1 . 1 67 67 GLU HB3 H 1 2.017 0.000 . 1 . . . . . 67 GLU HB3 . 50957 1 907 . 1 . 1 67 67 GLU HG2 H 1 2.511 0.000 . 2 . . . . . 67 GLU HG2 . 50957 1 908 . 1 . 1 67 67 GLU HG3 H 1 2.361 0.000 . 2 . . . . . 67 GLU HG3 . 50957 1 909 . 1 . 1 67 67 GLU C C 13 175.638 0.000 . 1 . . . . . 67 GLU C . 50957 1 910 . 1 . 1 67 67 GLU CA C 13 54.162 0.026 . 1 . . . . . 67 GLU CA . 50957 1 911 . 1 . 1 67 67 GLU CB C 13 35.100 0.049 . 1 . . . . . 67 GLU CB . 50957 1 912 . 1 . 1 67 67 GLU CG C 13 36.299 0.000 . 1 . . . . . 67 GLU CG . 50957 1 913 . 1 . 1 67 67 GLU N N 15 117.322 0.047 . 1 . . . . . 67 GLU N . 50957 1 914 . 1 . 1 68 68 THR H H 1 7.940 0.003 . 1 . . . . . 68 THR H . 50957 1 915 . 1 . 1 68 68 THR HA H 1 4.256 0.000 . 1 . . . . . 68 THR HA . 50957 1 916 . 1 . 1 68 68 THR HB H 1 4.917 0.000 . 1 . . . . . 68 THR HB . 50957 1 917 . 1 . 1 68 68 THR HG21 H 1 0.619 0.000 . 1 . . . . . 68 THR HG21 . 50957 1 918 . 1 . 1 68 68 THR HG22 H 1 0.619 0.000 . 1 . . . . . 68 THR HG22 . 50957 1 919 . 1 . 1 68 68 THR HG23 H 1 0.619 0.000 . 1 . . . . . 68 THR HG23 . 50957 1 920 . 1 . 1 68 68 THR C C 13 173.455 0.000 . 1 . . . . . 68 THR C . 50957 1 921 . 1 . 1 68 68 THR CA C 13 61.905 0.041 . 1 . . . . . 68 THR CA . 50957 1 922 . 1 . 1 68 68 THR CB C 13 70.033 0.013 . 1 . . . . . 68 THR CB . 50957 1 923 . 1 . 1 68 68 THR CG2 C 13 24.389 0.001 . 1 . . . . . 68 THR CG2 . 50957 1 924 . 1 . 1 68 68 THR N N 15 112.468 0.030 . 1 . . . . . 68 THR N . 50957 1 925 . 1 . 1 69 69 VAL H H 1 8.514 0.004 . 1 . . . . . 69 VAL H . 50957 1 926 . 1 . 1 69 69 VAL HA H 1 4.000 0.001 . 1 . . . . . 69 VAL HA . 50957 1 927 . 1 . 1 69 69 VAL HB H 1 1.690 0.000 . 1 . . . . . 69 VAL HB . 50957 1 928 . 1 . 1 69 69 VAL HG11 H 1 0.800 0.000 . 2 . . . . . 69 VAL HG11 . 50957 1 929 . 1 . 1 69 69 VAL HG12 H 1 0.800 0.000 . 2 . . . . . 69 VAL HG12 . 50957 1 930 . 1 . 1 69 69 VAL HG13 H 1 0.800 0.000 . 2 . . . . . 69 VAL HG13 . 50957 1 931 . 1 . 1 69 69 VAL HG21 H 1 0.652 0.000 . 2 . . . . . 69 VAL HG21 . 50957 1 932 . 1 . 1 69 69 VAL HG22 H 1 0.652 0.000 . 2 . . . . . 69 VAL HG22 . 50957 1 933 . 1 . 1 69 69 VAL HG23 H 1 0.652 0.000 . 2 . . . . . 69 VAL HG23 . 50957 1 934 . 1 . 1 69 69 VAL C C 13 173.470 0.000 . 1 . . . . . 69 VAL C . 50957 1 935 . 1 . 1 69 69 VAL CA C 13 61.475 0.036 . 1 . . . . . 69 VAL CA . 50957 1 936 . 1 . 1 69 69 VAL CB C 13 34.404 0.056 . 1 . . . . . 69 VAL CB . 50957 1 937 . 1 . 1 69 69 VAL CG1 C 13 22.797 0.001 . 2 . . . . . 69 VAL CG1 . 50957 1 938 . 1 . 1 69 69 VAL CG2 C 13 20.673 0.001 . 2 . . . . . 69 VAL CG2 . 50957 1 939 . 1 . 1 69 69 VAL N N 15 118.809 0.032 . 1 . . . . . 69 VAL N . 50957 1 940 . 1 . 1 70 70 ILE H H 1 8.552 0.009 . 1 . . . . . 70 ILE H . 50957 1 941 . 1 . 1 70 70 ILE HA H 1 4.293 0.000 . 1 . . . . . 70 ILE HA . 50957 1 942 . 1 . 1 70 70 ILE HB H 1 1.716 0.000 . 1 . . . . . 70 ILE HB . 50957 1 943 . 1 . 1 70 70 ILE HG12 H 1 1.084 0.000 . 2 . . . . . 70 ILE HG12 . 50957 1 944 . 1 . 1 70 70 ILE HG13 H 1 0.015 0.000 . 2 . . . . . 70 ILE HG13 . 50957 1 945 . 1 . 1 70 70 ILE HG21 H 1 0.559 0.000 . 1 . . . . . 70 ILE HG21 . 50957 1 946 . 1 . 1 70 70 ILE HG22 H 1 0.559 0.000 . 1 . . . . . 70 ILE HG22 . 50957 1 947 . 1 . 1 70 70 ILE HG23 H 1 0.559 0.000 . 1 . . . . . 70 ILE HG23 . 50957 1 948 . 1 . 1 70 70 ILE HD11 H 1 0.422 0.000 . 1 . . . . . 70 ILE HD11 . 50957 1 949 . 1 . 1 70 70 ILE HD12 H 1 0.422 0.000 . 1 . . . . . 70 ILE HD12 . 50957 1 950 . 1 . 1 70 70 ILE HD13 H 1 0.422 0.000 . 1 . . . . . 70 ILE HD13 . 50957 1 951 . 1 . 1 70 70 ILE CA C 13 54.711 0.001 . 1 . . . . . 70 ILE CA . 50957 1 952 . 1 . 1 70 70 ILE CB C 13 35.357 0.001 . 1 . . . . . 70 ILE CB . 50957 1 953 . 1 . 1 70 70 ILE CG1 C 13 25.428 0.000 . 1 . . . . . 70 ILE CG1 . 50957 1 954 . 1 . 1 70 70 ILE CG2 C 13 16.718 0.000 . 1 . . . . . 70 ILE CG2 . 50957 1 955 . 1 . 1 70 70 ILE CD1 C 13 9.179 0.000 . 1 . . . . . 70 ILE CD1 . 50957 1 956 . 1 . 1 70 70 ILE N N 15 129.611 0.029 . 1 . . . . . 70 ILE N . 50957 1 957 . 1 . 1 71 71 PRO HA H 1 4.738 0.000 . 1 . . . . . 71 PRO HA . 50957 1 958 . 1 . 1 71 71 PRO HB2 H 1 2.352 0.001 . 2 . . . . . 71 PRO HB2 . 50957 1 959 . 1 . 1 71 71 PRO HB3 H 1 1.692 0.002 . 2 . . . . . 71 PRO HB3 . 50957 1 960 . 1 . 1 71 71 PRO HG2 H 1 1.692 0.002 . 2 . . . . . 71 PRO HG2 . 50957 1 961 . 1 . 1 71 71 PRO HG3 H 1 1.595 0.000 . 2 . . . . . 71 PRO HG3 . 50957 1 962 . 1 . 1 71 71 PRO HD2 H 1 3.754 0.000 . 2 . . . . . 71 PRO HD2 . 50957 1 963 . 1 . 1 71 71 PRO HD3 H 1 3.316 0.000 . 2 . . . . . 71 PRO HD3 . 50957 1 964 . 1 . 1 71 71 PRO C C 13 172.871 0.000 . 1 . . . . . 71 PRO C . 50957 1 965 . 1 . 1 71 71 PRO CA C 13 61.779 0.042 . 1 . . . . . 71 PRO CA . 50957 1 966 . 1 . 1 71 71 PRO CB C 13 33.519 0.036 . 1 . . . . . 71 PRO CB . 50957 1 967 . 1 . 1 71 71 PRO CG C 13 25.948 0.005 . 1 . . . . . 71 PRO CG . 50957 1 968 . 1 . 1 71 71 PRO CD C 13 49.297 0.004 . 1 . . . . . 71 PRO CD . 50957 1 969 . 1 . 1 72 72 ALA H H 1 7.790 0.018 . 1 . . . . . 72 ALA H . 50957 1 970 . 1 . 1 72 72 ALA HA H 1 4.386 0.000 . 1 . . . . . 72 ALA HA . 50957 1 971 . 1 . 1 72 72 ALA HB1 H 1 1.309 0.000 . 1 . . . . . 72 ALA HB1 . 50957 1 972 . 1 . 1 72 72 ALA HB2 H 1 1.309 0.000 . 1 . . . . . 72 ALA HB2 . 50957 1 973 . 1 . 1 72 72 ALA HB3 H 1 1.309 0.000 . 1 . . . . . 72 ALA HB3 . 50957 1 974 . 1 . 1 72 72 ALA CA C 13 50.545 0.011 . 1 . . . . . 72 ALA CA . 50957 1 975 . 1 . 1 72 72 ALA CB C 13 17.791 0.012 . 1 . . . . . 72 ALA CB . 50957 1 976 . 1 . 1 72 72 ALA N N 15 118.265 0.036 . 1 . . . . . 72 ALA N . 50957 1 977 . 1 . 1 73 73 PRO HA H 1 4.014 0.000 . 1 . . . . . 73 PRO HA . 50957 1 978 . 1 . 1 73 73 PRO HB2 H 1 1.789 0.000 . 2 . . . . . 73 PRO HB2 . 50957 1 979 . 1 . 1 73 73 PRO HB3 H 1 2.196 0.004 . 2 . . . . . 73 PRO HB3 . 50957 1 980 . 1 . 1 73 73 PRO HG2 H 1 1.594 0.000 . 2 . . . . . 73 PRO HG2 . 50957 1 981 . 1 . 1 73 73 PRO HG3 H 1 2.203 0.003 . 2 . . . . . 73 PRO HG3 . 50957 1 982 . 1 . 1 73 73 PRO HD2 H 1 3.787 0.001 . 2 . . . . . 73 PRO HD2 . 50957 1 983 . 1 . 1 73 73 PRO HD3 H 1 3.539 0.000 . 2 . . . . . 73 PRO HD3 . 50957 1 984 . 1 . 1 73 73 PRO C C 13 177.283 0.000 . 1 . . . . . 73 PRO C . 50957 1 985 . 1 . 1 73 73 PRO CA C 13 63.913 0.061 . 1 . . . . . 73 PRO CA . 50957 1 986 . 1 . 1 73 73 PRO CB C 13 31.406 0.028 . 1 . . . . . 73 PRO CB . 50957 1 987 . 1 . 1 73 73 PRO CG C 13 28.493 0.004 . 1 . . . . . 73 PRO CG . 50957 1 988 . 1 . 1 73 73 PRO CD C 13 50.147 0.006 . 1 . . . . . 73 PRO CD . 50957 1 989 . 1 . 1 74 74 GLY H H 1 9.502 0.003 . 1 . . . . . 74 GLY H . 50957 1 990 . 1 . 1 74 74 GLY HA2 H 1 4.433 0.001 . 2 . . . . . 74 GLY HA2 . 50957 1 991 . 1 . 1 74 74 GLY HA3 H 1 3.555 0.000 . 2 . . . . . 74 GLY HA3 . 50957 1 992 . 1 . 1 74 74 GLY C C 13 174.697 0.000 . 1 . . . . . 74 GLY C . 50957 1 993 . 1 . 1 74 74 GLY CA C 13 44.639 0.008 . 1 . . . . . 74 GLY CA . 50957 1 994 . 1 . 1 74 74 GLY N N 15 111.235 0.027 . 1 . . . . . 74 GLY N . 50957 1 995 . 1 . 1 75 75 LYS H H 1 7.589 0.005 . 1 . . . . . 75 LYS H . 50957 1 996 . 1 . 1 75 75 LYS HA H 1 4.704 0.000 . 1 . . . . . 75 LYS HA . 50957 1 997 . 1 . 1 75 75 LYS HB2 H 1 1.916 0.000 . 2 . . . . . 75 LYS HB2 . 50957 1 998 . 1 . 1 75 75 LYS HB3 H 1 2.123 0.001 . 2 . . . . . 75 LYS HB3 . 50957 1 999 . 1 . 1 75 75 LYS HG2 H 1 1.462 0.001 . 2 . . . . . 75 LYS HG2 . 50957 1 1000 . 1 . 1 75 75 LYS HG3 H 1 1.635 0.001 . 2 . . . . . 75 LYS HG3 . 50957 1 1001 . 1 . 1 75 75 LYS HD2 H 1 1.714 0.000 . 1 . . . . . 75 LYS HD2 . 50957 1 1002 . 1 . 1 75 75 LYS HD3 H 1 1.714 0.000 . 1 . . . . . 75 LYS HD3 . 50957 1 1003 . 1 . 1 75 75 LYS HE2 H 1 2.965 0.000 . 2 . . . . . 75 LYS HE2 . 50957 1 1004 . 1 . 1 75 75 LYS HE3 H 1 3.076 0.000 . 2 . . . . . 75 LYS HE3 . 50957 1 1005 . 1 . 1 75 75 LYS C C 13 175.644 0.000 . 1 . . . . . 75 LYS C . 50957 1 1006 . 1 . 1 75 75 LYS CA C 13 54.049 0.025 . 1 . . . . . 75 LYS CA . 50957 1 1007 . 1 . 1 75 75 LYS CB C 13 33.422 0.040 . 1 . . . . . 75 LYS CB . 50957 1 1008 . 1 . 1 75 75 LYS CG C 13 25.324 0.005 . 1 . . . . . 75 LYS CG . 50957 1 1009 . 1 . 1 75 75 LYS CD C 13 28.168 0.003 . 1 . . . . . 75 LYS CD . 50957 1 1010 . 1 . 1 75 75 LYS CE C 13 42.388 0.001 . 1 . . . . . 75 LYS CE . 50957 1 1011 . 1 . 1 75 75 LYS N N 15 119.404 0.026 . 1 . . . . . 75 LYS N . 50957 1 1012 . 1 . 1 76 76 ARG H H 1 8.317 0.003 . 1 . . . . . 76 ARG H . 50957 1 1013 . 1 . 1 76 76 ARG HA H 1 5.114 0.000 . 1 . . . . . 76 ARG HA . 50957 1 1014 . 1 . 1 76 76 ARG HB2 H 1 1.907 0.000 . 1 . . . . . 76 ARG HB2 . 50957 1 1015 . 1 . 1 76 76 ARG HB3 H 1 1.907 0.000 . 1 . . . . . 76 ARG HB3 . 50957 1 1016 . 1 . 1 76 76 ARG HG2 H 1 1.725 0.000 . 2 . . . . . 76 ARG HG2 . 50957 1 1017 . 1 . 1 76 76 ARG HG3 H 1 1.868 0.000 . 2 . . . . . 76 ARG HG3 . 50957 1 1018 . 1 . 1 76 76 ARG HD2 H 1 3.233 0.000 . 1 . . . . . 76 ARG HD2 . 50957 1 1019 . 1 . 1 76 76 ARG HD3 H 1 3.233 0.000 . 1 . . . . . 76 ARG HD3 . 50957 1 1020 . 1 . 1 76 76 ARG C C 13 177.777 0.000 . 1 . . . . . 76 ARG C . 50957 1 1021 . 1 . 1 76 76 ARG CA C 13 56.248 0.019 . 1 . . . . . 76 ARG CA . 50957 1 1022 . 1 . 1 76 76 ARG CB C 13 32.440 0.005 . 1 . . . . . 76 ARG CB . 50957 1 1023 . 1 . 1 76 76 ARG CG C 13 28.402 0.000 . 1 . . . . . 76 ARG CG . 50957 1 1024 . 1 . 1 76 76 ARG CD C 13 43.597 0.000 . 1 . . . . . 76 ARG CD . 50957 1 1025 . 1 . 1 76 76 ARG N N 15 119.149 0.025 . 1 . . . . . 76 ARG N . 50957 1 1026 . 1 . 1 77 77 ILE H H 1 9.219 0.003 . 1 . . . . . 77 ILE H . 50957 1 1027 . 1 . 1 77 77 ILE HA H 1 5.082 0.000 . 1 . . . . . 77 ILE HA . 50957 1 1028 . 1 . 1 77 77 ILE HB H 1 1.826 0.000 . 1 . . . . . 77 ILE HB . 50957 1 1029 . 1 . 1 77 77 ILE HG12 H 1 0.841 0.000 . 2 . . . . . 77 ILE HG12 . 50957 1 1030 . 1 . 1 77 77 ILE HG13 H 1 1.224 0.000 . 2 . . . . . 77 ILE HG13 . 50957 1 1031 . 1 . 1 77 77 ILE HG21 H 1 0.679 0.000 . 1 . . . . . 77 ILE HG21 . 50957 1 1032 . 1 . 1 77 77 ILE HG22 H 1 0.679 0.000 . 1 . . . . . 77 ILE HG22 . 50957 1 1033 . 1 . 1 77 77 ILE HG23 H 1 0.679 0.000 . 1 . . . . . 77 ILE HG23 . 50957 1 1034 . 1 . 1 77 77 ILE HD11 H 1 0.659 0.000 . 1 . . . . . 77 ILE HD11 . 50957 1 1035 . 1 . 1 77 77 ILE HD12 H 1 0.659 0.000 . 1 . . . . . 77 ILE HD12 . 50957 1 1036 . 1 . 1 77 77 ILE HD13 H 1 0.659 0.000 . 1 . . . . . 77 ILE HD13 . 50957 1 1037 . 1 . 1 77 77 ILE C C 13 173.875 0.000 . 1 . . . . . 77 ILE C . 50957 1 1038 . 1 . 1 77 77 ILE CA C 13 57.205 0.014 . 1 . . . . . 77 ILE CA . 50957 1 1039 . 1 . 1 77 77 ILE CB C 13 43.625 0.014 . 1 . . . . . 77 ILE CB . 50957 1 1040 . 1 . 1 77 77 ILE CG1 C 13 26.960 0.008 . 1 . . . . . 77 ILE CG1 . 50957 1 1041 . 1 . 1 77 77 ILE CG2 C 13 23.093 0.000 . 1 . . . . . 77 ILE CG2 . 50957 1 1042 . 1 . 1 77 77 ILE CD1 C 13 15.076 0.001 . 1 . . . . . 77 ILE CD1 . 50957 1 1043 . 1 . 1 77 77 ILE N N 15 115.314 0.054 . 1 . . . . . 77 ILE N . 50957 1 1044 . 1 . 1 78 78 LEU H H 1 8.741 0.004 . 1 . . . . . 78 LEU H . 50957 1 1045 . 1 . 1 78 78 LEU HA H 1 4.879 0.000 . 1 . . . . . 78 LEU HA . 50957 1 1046 . 1 . 1 78 78 LEU HB2 H 1 1.284 0.000 . 2 . . . . . 78 LEU HB2 . 50957 1 1047 . 1 . 1 78 78 LEU HB3 H 1 1.663 0.000 . 2 . . . . . 78 LEU HB3 . 50957 1 1048 . 1 . 1 78 78 LEU HG H 1 1.376 0.000 . 1 . . . . . 78 LEU HG . 50957 1 1049 . 1 . 1 78 78 LEU HD11 H 1 0.767 0.000 . 2 . . . . . 78 LEU HD11 . 50957 1 1050 . 1 . 1 78 78 LEU HD12 H 1 0.767 0.000 . 2 . . . . . 78 LEU HD12 . 50957 1 1051 . 1 . 1 78 78 LEU HD13 H 1 0.767 0.000 . 2 . . . . . 78 LEU HD13 . 50957 1 1052 . 1 . 1 78 78 LEU HD21 H 1 0.873 0.002 . 2 . . . . . 78 LEU HD21 . 50957 1 1053 . 1 . 1 78 78 LEU HD22 H 1 0.873 0.002 . 2 . . . . . 78 LEU HD22 . 50957 1 1054 . 1 . 1 78 78 LEU HD23 H 1 0.873 0.002 . 2 . . . . . 78 LEU HD23 . 50957 1 1055 . 1 . 1 78 78 LEU C C 13 175.433 0.000 . 1 . . . . . 78 LEU C . 50957 1 1056 . 1 . 1 78 78 LEU CA C 13 53.067 0.034 . 1 . . . . . 78 LEU CA . 50957 1 1057 . 1 . 1 78 78 LEU CB C 13 46.220 0.070 . 1 . . . . . 78 LEU CB . 50957 1 1058 . 1 . 1 78 78 LEU CG C 13 27.208 0.002 . 1 . . . . . 78 LEU CG . 50957 1 1059 . 1 . 1 78 78 LEU CD1 C 13 25.890 0.000 . 2 . . . . . 78 LEU CD1 . 50957 1 1060 . 1 . 1 78 78 LEU CD2 C 13 22.916 0.001 . 2 . . . . . 78 LEU CD2 . 50957 1 1061 . 1 . 1 78 78 LEU N N 15 121.836 0.031 . 1 . . . . . 78 LEU N . 50957 1 1062 . 1 . 1 79 79 VAL H H 1 8.587 0.003 . 1 . . . . . 79 VAL H . 50957 1 1063 . 1 . 1 79 79 VAL HA H 1 4.457 0.000 . 1 . . . . . 79 VAL HA . 50957 1 1064 . 1 . 1 79 79 VAL HB H 1 2.239 0.000 . 1 . . . . . 79 VAL HB . 50957 1 1065 . 1 . 1 79 79 VAL HG11 H 1 1.076 0.000 . 2 . . . . . 79 VAL HG11 . 50957 1 1066 . 1 . 1 79 79 VAL HG12 H 1 1.076 0.000 . 2 . . . . . 79 VAL HG12 . 50957 1 1067 . 1 . 1 79 79 VAL HG13 H 1 1.076 0.000 . 2 . . . . . 79 VAL HG13 . 50957 1 1068 . 1 . 1 79 79 VAL HG21 H 1 0.656 0.000 . 2 . . . . . 79 VAL HG21 . 50957 1 1069 . 1 . 1 79 79 VAL HG22 H 1 0.656 0.000 . 2 . . . . . 79 VAL HG22 . 50957 1 1070 . 1 . 1 79 79 VAL HG23 H 1 0.656 0.000 . 2 . . . . . 79 VAL HG23 . 50957 1 1071 . 1 . 1 79 79 VAL C C 13 177.472 0.000 . 1 . . . . . 79 VAL C . 50957 1 1072 . 1 . 1 79 79 VAL CA C 13 62.866 0.025 . 1 . . . . . 79 VAL CA . 50957 1 1073 . 1 . 1 79 79 VAL CB C 13 30.526 0.024 . 1 . . . . . 79 VAL CB . 50957 1 1074 . 1 . 1 79 79 VAL CG1 C 13 23.002 0.000 . 2 . . . . . 79 VAL CG1 . 50957 1 1075 . 1 . 1 79 79 VAL CG2 C 13 20.791 0.000 . 2 . . . . . 79 VAL CG2 . 50957 1 1076 . 1 . 1 79 79 VAL N N 15 123.851 0.038 . 1 . . . . . 79 VAL N . 50957 1 1077 . 1 . 1 80 80 LEU H H 1 9.519 0.003 . 1 . . . . . 80 LEU H . 50957 1 1078 . 1 . 1 80 80 LEU HA H 1 4.464 0.000 . 1 . . . . . 80 LEU HA . 50957 1 1079 . 1 . 1 80 80 LEU HB2 H 1 1.433 0.000 . 2 . . . . . 80 LEU HB2 . 50957 1 1080 . 1 . 1 80 80 LEU HB3 H 1 2.269 0.000 . 2 . . . . . 80 LEU HB3 . 50957 1 1081 . 1 . 1 80 80 LEU HG H 1 1.784 0.001 . 1 . . . . . 80 LEU HG . 50957 1 1082 . 1 . 1 80 80 LEU HD11 H 1 0.945 0.000 . 2 . . . . . 80 LEU HD11 . 50957 1 1083 . 1 . 1 80 80 LEU HD12 H 1 0.945 0.000 . 2 . . . . . 80 LEU HD12 . 50957 1 1084 . 1 . 1 80 80 LEU HD13 H 1 0.945 0.000 . 2 . . . . . 80 LEU HD13 . 50957 1 1085 . 1 . 1 80 80 LEU HD21 H 1 0.963 0.000 . 2 . . . . . 80 LEU HD21 . 50957 1 1086 . 1 . 1 80 80 LEU HD22 H 1 0.963 0.000 . 2 . . . . . 80 LEU HD22 . 50957 1 1087 . 1 . 1 80 80 LEU HD23 H 1 0.963 0.000 . 2 . . . . . 80 LEU HD23 . 50957 1 1088 . 1 . 1 80 80 LEU C C 13 176.143 0.000 . 1 . . . . . 80 LEU C . 50957 1 1089 . 1 . 1 80 80 LEU CA C 13 54.865 0.048 . 1 . . . . . 80 LEU CA . 50957 1 1090 . 1 . 1 80 80 LEU CB C 13 43.172 0.017 . 1 . . . . . 80 LEU CB . 50957 1 1091 . 1 . 1 80 80 LEU CG C 13 26.608 0.004 . 1 . . . . . 80 LEU CG . 50957 1 1092 . 1 . 1 80 80 LEU CD1 C 13 27.245 0.003 . 2 . . . . . 80 LEU CD1 . 50957 1 1093 . 1 . 1 80 80 LEU CD2 C 13 22.538 0.004 . 2 . . . . . 80 LEU CD2 . 50957 1 1094 . 1 . 1 80 80 LEU N N 15 127.963 0.020 . 1 . . . . . 80 LEU N . 50957 1 1095 . 1 . 1 81 81 ASN H H 1 7.618 0.003 . 1 . . . . . 81 ASN H . 50957 1 1096 . 1 . 1 81 81 ASN HA H 1 4.892 0.000 . 1 . . . . . 81 ASN HA . 50957 1 1097 . 1 . 1 81 81 ASN HB2 H 1 2.959 0.000 . 2 . . . . . 81 ASN HB2 . 50957 1 1098 . 1 . 1 81 81 ASN HB3 H 1 2.474 0.000 . 2 . . . . . 81 ASN HB3 . 50957 1 1099 . 1 . 1 81 81 ASN HD21 H 1 7.558 0.000 . 1 . . . . . 81 ASN HD21 . 50957 1 1100 . 1 . 1 81 81 ASN HD22 H 1 7.670 0.000 . 1 . . . . . 81 ASN HD22 . 50957 1 1101 . 1 . 1 81 81 ASN C C 13 174.690 0.000 . 1 . . . . . 81 ASN C . 50957 1 1102 . 1 . 1 81 81 ASN CA C 13 50.769 0.024 . 1 . . . . . 81 ASN CA . 50957 1 1103 . 1 . 1 81 81 ASN CB C 13 43.524 0.057 . 1 . . . . . 81 ASN CB . 50957 1 1104 . 1 . 1 81 81 ASN N N 15 114.877 0.030 . 1 . . . . . 81 ASN N . 50957 1 1105 . 1 . 1 81 81 ASN ND2 N 15 110.395 0.000 . 1 . . . . . 81 ASN ND2 . 50957 1 1106 . 1 . 1 82 82 GLY H H 1 8.346 0.005 . 1 . . . . . 82 GLY H . 50957 1 1107 . 1 . 1 82 82 GLY HA2 H 1 4.343 0.000 . 2 . . . . . 82 GLY HA2 . 50957 1 1108 . 1 . 1 82 82 GLY HA3 H 1 3.778 0.000 . 2 . . . . . 82 GLY HA3 . 50957 1 1109 . 1 . 1 82 82 GLY C C 13 175.511 0.000 . 1 . . . . . 82 GLY C . 50957 1 1110 . 1 . 1 82 82 GLY CA C 13 45.052 0.019 . 1 . . . . . 82 GLY CA . 50957 1 1111 . 1 . 1 82 82 GLY N N 15 105.595 0.027 . 1 . . . . . 82 GLY N . 50957 1 1112 . 1 . 1 83 83 GLY H H 1 8.663 0.003 . 1 . . . . . 83 GLY H . 50957 1 1113 . 1 . 1 83 83 GLY HA2 H 1 3.721 0.000 . 2 . . . . . 83 GLY HA2 . 50957 1 1114 . 1 . 1 83 83 GLY HA3 H 1 3.604 0.000 . 2 . . . . . 83 GLY HA3 . 50957 1 1115 . 1 . 1 83 83 GLY C C 13 175.317 0.000 . 1 . . . . . 83 GLY C . 50957 1 1116 . 1 . 1 83 83 GLY CA C 13 46.971 0.031 . 1 . . . . . 83 GLY CA . 50957 1 1117 . 1 . 1 83 83 GLY N N 15 105.789 0.042 . 1 . . . . . 83 GLY N . 50957 1 1118 . 1 . 1 84 84 TYR H H 1 9.224 0.004 . 1 . . . . . 84 TYR H . 50957 1 1119 . 1 . 1 84 84 TYR HA H 1 4.583 0.000 . 1 . . . . . 84 TYR HA . 50957 1 1120 . 1 . 1 84 84 TYR HB2 H 1 3.068 0.000 . 2 . . . . . 84 TYR HB2 . 50957 1 1121 . 1 . 1 84 84 TYR HB3 H 1 3.215 0.000 . 2 . . . . . 84 TYR HB3 . 50957 1 1122 . 1 . 1 84 84 TYR HD1 H 1 6.996 0.000 . 1 . . . . . 84 TYR HD1 . 50957 1 1123 . 1 . 1 84 84 TYR HD2 H 1 6.996 0.000 . 1 . . . . . 84 TYR HD2 . 50957 1 1124 . 1 . 1 84 84 TYR HE1 H 1 6.762 0.000 . 1 . . . . . 84 TYR HE1 . 50957 1 1125 . 1 . 1 84 84 TYR HE2 H 1 6.762 0.000 . 1 . . . . . 84 TYR HE2 . 50957 1 1126 . 1 . 1 84 84 TYR C C 13 175.494 0.000 . 1 . . . . . 84 TYR C . 50957 1 1127 . 1 . 1 84 84 TYR CA C 13 57.416 0.026 . 1 . . . . . 84 TYR CA . 50957 1 1128 . 1 . 1 84 84 TYR CB C 13 36.841 0.026 . 1 . . . . . 84 TYR CB . 50957 1 1129 . 1 . 1 84 84 TYR CD1 C 13 132.609 0.000 . 1 . . . . . 84 TYR CD1 . 50957 1 1130 . 1 . 1 84 84 TYR CD2 C 13 132.609 0.000 . 1 . . . . . 84 TYR CD2 . 50957 1 1131 . 1 . 1 84 84 TYR CE1 C 13 118.357 0.000 . 1 . . . . . 84 TYR CE1 . 50957 1 1132 . 1 . 1 84 84 TYR CE2 C 13 118.357 0.000 . 1 . . . . . 84 TYR CE2 . 50957 1 1133 . 1 . 1 84 84 TYR N N 15 117.091 0.035 . 1 . . . . . 84 TYR N . 50957 1 1134 . 1 . 1 85 85 ARG H H 1 7.377 0.004 . 1 . . . . . 85 ARG H . 50957 1 1135 . 1 . 1 85 85 ARG HA H 1 3.542 0.000 . 1 . . . . . 85 ARG HA . 50957 1 1136 . 1 . 1 85 85 ARG HB2 H 1 1.538 0.000 . 2 . . . . . 85 ARG HB2 . 50957 1 1137 . 1 . 1 85 85 ARG HB3 H 1 1.789 0.000 . 2 . . . . . 85 ARG HB3 . 50957 1 1138 . 1 . 1 85 85 ARG HG2 H 1 1.327 0.000 . 2 . . . . . 85 ARG HG2 . 50957 1 1139 . 1 . 1 85 85 ARG HG3 H 1 1.627 0.000 . 2 . . . . . 85 ARG HG3 . 50957 1 1140 . 1 . 1 85 85 ARG HD2 H 1 3.246 0.000 . 2 . . . . . 85 ARG HD2 . 50957 1 1141 . 1 . 1 85 85 ARG HD3 H 1 3.301 0.000 . 2 . . . . . 85 ARG HD3 . 50957 1 1142 . 1 . 1 85 85 ARG C C 13 175.357 0.000 . 1 . . . . . 85 ARG C . 50957 1 1143 . 1 . 1 85 85 ARG CA C 13 57.525 0.025 . 1 . . . . . 85 ARG CA . 50957 1 1144 . 1 . 1 85 85 ARG CB C 13 30.164 0.014 . 1 . . . . . 85 ARG CB . 50957 1 1145 . 1 . 1 85 85 ARG CG C 13 25.899 0.004 . 1 . . . . . 85 ARG CG . 50957 1 1146 . 1 . 1 85 85 ARG CD C 13 43.716 0.003 . 1 . . . . . 85 ARG CD . 50957 1 1147 . 1 . 1 85 85 ARG N N 15 119.931 0.022 . 1 . . . . . 85 ARG N . 50957 1 1148 . 1 . 1 86 86 GLY H H 1 8.691 0.004 . 1 . . . . . 86 GLY H . 50957 1 1149 . 1 . 1 86 86 GLY HA2 H 1 4.399 0.000 . 2 . . . . . 86 GLY HA2 . 50957 1 1150 . 1 . 1 86 86 GLY HA3 H 1 3.709 0.000 . 2 . . . . . 86 GLY HA3 . 50957 1 1151 . 1 . 1 86 86 GLY C C 13 173.765 0.000 . 1 . . . . . 86 GLY C . 50957 1 1152 . 1 . 1 86 86 GLY CA C 13 44.890 0.013 . 1 . . . . . 86 GLY CA . 50957 1 1153 . 1 . 1 86 86 GLY N N 15 111.193 0.020 . 1 . . . . . 86 GLY N . 50957 1 1154 . 1 . 1 87 87 ASN H H 1 7.524 0.005 . 1 . . . . . 87 ASN H . 50957 1 1155 . 1 . 1 87 87 ASN HA H 1 4.908 0.000 . 1 . . . . . 87 ASN HA . 50957 1 1156 . 1 . 1 87 87 ASN HB2 H 1 2.668 0.000 . 1 . . . . . 87 ASN HB2 . 50957 1 1157 . 1 . 1 87 87 ASN HB3 H 1 2.668 0.000 . 1 . . . . . 87 ASN HB3 . 50957 1 1158 . 1 . 1 87 87 ASN HD21 H 1 7.208 0.000 . 1 . . . . . 87 ASN HD21 . 50957 1 1159 . 1 . 1 87 87 ASN HD22 H 1 7.323 0.000 . 1 . . . . . 87 ASN HD22 . 50957 1 1160 . 1 . 1 87 87 ASN C C 13 173.867 0.000 . 1 . . . . . 87 ASN C . 50957 1 1161 . 1 . 1 87 87 ASN CA C 13 53.541 0.046 . 1 . . . . . 87 ASN CA . 50957 1 1162 . 1 . 1 87 87 ASN CB C 13 41.129 0.014 . 1 . . . . . 87 ASN CB . 50957 1 1163 . 1 . 1 87 87 ASN N N 15 115.462 0.027 . 1 . . . . . 87 ASN N . 50957 1 1164 . 1 . 1 87 87 ASN ND2 N 15 113.795 0.002 . 1 . . . . . 87 ASN ND2 . 50957 1 1165 . 1 . 1 88 88 GLU H H 1 8.281 0.004 . 1 . . . . . 88 GLU H . 50957 1 1166 . 1 . 1 88 88 GLU HA H 1 5.208 0.000 . 1 . . . . . 88 GLU HA . 50957 1 1167 . 1 . 1 88 88 GLU HB2 H 1 1.900 0.000 . 2 . . . . . 88 GLU HB2 . 50957 1 1168 . 1 . 1 88 88 GLU HB3 H 1 2.108 0.000 . 2 . . . . . 88 GLU HB3 . 50957 1 1169 . 1 . 1 88 88 GLU HG2 H 1 2.245 0.000 . 2 . . . . . 88 GLU HG2 . 50957 1 1170 . 1 . 1 88 88 GLU HG3 H 1 2.447 0.000 . 2 . . . . . 88 GLU HG3 . 50957 1 1171 . 1 . 1 88 88 GLU C C 13 176.803 0.000 . 1 . . . . . 88 GLU C . 50957 1 1172 . 1 . 1 88 88 GLU CA C 13 54.624 0.046 . 1 . . . . . 88 GLU CA . 50957 1 1173 . 1 . 1 88 88 GLU CB C 13 31.957 0.019 . 1 . . . . . 88 GLU CB . 50957 1 1174 . 1 . 1 88 88 GLU CG C 13 36.715 0.000 . 1 . . . . . 88 GLU CG . 50957 1 1175 . 1 . 1 88 88 GLU N N 15 118.431 0.023 . 1 . . . . . 88 GLU N . 50957 1 1176 . 1 . 1 89 89 GLY H H 1 8.927 0.004 . 1 . . . . . 89 GLY H . 50957 1 1177 . 1 . 1 89 89 GLY HA2 H 1 3.556 0.000 . 2 . . . . . 89 GLY HA2 . 50957 1 1178 . 1 . 1 89 89 GLY HA3 H 1 5.031 0.000 . 2 . . . . . 89 GLY HA3 . 50957 1 1179 . 1 . 1 89 89 GLY C C 13 171.423 0.000 . 1 . . . . . 89 GLY C . 50957 1 1180 . 1 . 1 89 89 GLY CA C 13 45.696 0.028 . 1 . . . . . 89 GLY CA . 50957 1 1181 . 1 . 1 89 89 GLY N N 15 107.123 0.033 . 1 . . . . . 89 GLY N . 50957 1 1182 . 1 . 1 90 90 THR H H 1 9.208 0.004 . 1 . . . . . 90 THR H . 50957 1 1183 . 1 . 1 90 90 THR HA H 1 4.627 0.000 . 1 . . . . . 90 THR HA . 50957 1 1184 . 1 . 1 90 90 THR HB H 1 3.806 0.000 . 1 . . . . . 90 THR HB . 50957 1 1185 . 1 . 1 90 90 THR HG21 H 1 0.993 0.000 . 1 . . . . . 90 THR HG21 . 50957 1 1186 . 1 . 1 90 90 THR HG22 H 1 0.993 0.000 . 1 . . . . . 90 THR HG22 . 50957 1 1187 . 1 . 1 90 90 THR HG23 H 1 0.993 0.000 . 1 . . . . . 90 THR HG23 . 50957 1 1188 . 1 . 1 90 90 THR C C 13 174.621 0.000 . 1 . . . . . 90 THR C . 50957 1 1189 . 1 . 1 90 90 THR CA C 13 62.086 0.041 . 1 . . . . . 90 THR CA . 50957 1 1190 . 1 . 1 90 90 THR CB C 13 69.960 0.004 . 1 . . . . . 90 THR CB . 50957 1 1191 . 1 . 1 90 90 THR CG2 C 13 22.560 0.001 . 1 . . . . . 90 THR CG2 . 50957 1 1192 . 1 . 1 90 90 THR N N 15 117.669 0.027 . 1 . . . . . 90 THR N . 50957 1 1193 . 1 . 1 91 91 LEU H H 1 8.487 0.004 . 1 . . . . . 91 LEU H . 50957 1 1194 . 1 . 1 91 91 LEU HA H 1 4.228 0.001 . 1 . . . . . 91 LEU HA . 50957 1 1195 . 1 . 1 91 91 LEU HB2 H 1 2.003 0.001 . 2 . . . . . 91 LEU HB2 . 50957 1 1196 . 1 . 1 91 91 LEU HB3 H 1 1.135 0.003 . 2 . . . . . 91 LEU HB3 . 50957 1 1197 . 1 . 1 91 91 LEU HG H 1 1.328 0.000 . 1 . . . . . 91 LEU HG . 50957 1 1198 . 1 . 1 91 91 LEU HD11 H 1 0.731 0.000 . 2 . . . . . 91 LEU HD11 . 50957 1 1199 . 1 . 1 91 91 LEU HD12 H 1 0.731 0.000 . 2 . . . . . 91 LEU HD12 . 50957 1 1200 . 1 . 1 91 91 LEU HD13 H 1 0.731 0.000 . 2 . . . . . 91 LEU HD13 . 50957 1 1201 . 1 . 1 91 91 LEU HD21 H 1 0.595 0.000 . 2 . . . . . 91 LEU HD21 . 50957 1 1202 . 1 . 1 91 91 LEU HD22 H 1 0.595 0.000 . 2 . . . . . 91 LEU HD22 . 50957 1 1203 . 1 . 1 91 91 LEU HD23 H 1 0.595 0.000 . 2 . . . . . 91 LEU HD23 . 50957 1 1204 . 1 . 1 91 91 LEU C C 13 174.306 0.000 . 1 . . . . . 91 LEU C . 50957 1 1205 . 1 . 1 91 91 LEU CA C 13 55.722 0.013 . 1 . . . . . 91 LEU CA . 50957 1 1206 . 1 . 1 91 91 LEU CB C 13 42.255 0.045 . 1 . . . . . 91 LEU CB . 50957 1 1207 . 1 . 1 91 91 LEU CG C 13 27.809 0.038 . 1 . . . . . 91 LEU CG . 50957 1 1208 . 1 . 1 91 91 LEU CD1 C 13 25.471 0.000 . 2 . . . . . 91 LEU CD1 . 50957 1 1209 . 1 . 1 91 91 LEU CD2 C 13 25.941 0.007 . 2 . . . . . 91 LEU CD2 . 50957 1 1210 . 1 . 1 91 91 LEU N N 15 126.906 0.031 . 1 . . . . . 91 LEU N . 50957 1 1211 . 1 . 1 92 92 GLU H H 1 9.327 0.003 . 1 . . . . . 92 GLU H . 50957 1 1212 . 1 . 1 92 92 GLU HA H 1 4.475 0.000 . 1 . . . . . 92 GLU HA . 50957 1 1213 . 1 . 1 92 92 GLU HB2 H 1 1.823 0.001 . 1 . . . . . 92 GLU HB2 . 50957 1 1214 . 1 . 1 92 92 GLU HB3 H 1 1.823 0.001 . 1 . . . . . 92 GLU HB3 . 50957 1 1215 . 1 . 1 92 92 GLU HG2 H 1 2.171 0.001 . 2 . . . . . 92 GLU HG2 . 50957 1 1216 . 1 . 1 92 92 GLU HG3 H 1 2.002 0.001 . 2 . . . . . 92 GLU HG3 . 50957 1 1217 . 1 . 1 92 92 GLU C C 13 175.862 0.000 . 1 . . . . . 92 GLU C . 50957 1 1218 . 1 . 1 92 92 GLU CA C 13 58.171 0.034 . 1 . . . . . 92 GLU CA . 50957 1 1219 . 1 . 1 92 92 GLU CB C 13 32.236 0.018 . 1 . . . . . 92 GLU CB . 50957 1 1220 . 1 . 1 92 92 GLU CG C 13 37.164 0.000 . 1 . . . . . 92 GLU CG . 50957 1 1221 . 1 . 1 92 92 GLU N N 15 130.974 0.037 . 1 . . . . . 92 GLU N . 50957 1 1222 . 1 . 1 93 93 SER H H 1 7.923 0.003 . 1 . . . . . 93 SER H . 50957 1 1223 . 1 . 1 93 93 SER HA H 1 4.541 0.000 . 1 . . . . . 93 SER HA . 50957 1 1224 . 1 . 1 93 93 SER HB2 H 1 3.941 0.000 . 2 . . . . . 93 SER HB2 . 50957 1 1225 . 1 . 1 93 93 SER HB3 H 1 3.887 0.000 . 2 . . . . . 93 SER HB3 . 50957 1 1226 . 1 . 1 93 93 SER C C 13 171.793 0.000 . 1 . . . . . 93 SER C . 50957 1 1227 . 1 . 1 93 93 SER CA C 13 57.440 0.023 . 1 . . . . . 93 SER CA . 50957 1 1228 . 1 . 1 93 93 SER CB C 13 64.927 0.019 . 1 . . . . . 93 SER CB . 50957 1 1229 . 1 . 1 93 93 SER N N 15 109.292 0.030 . 1 . . . . . 93 SER N . 50957 1 1230 . 1 . 1 94 94 ILE H H 1 8.462 0.004 . 1 . . . . . 94 ILE H . 50957 1 1231 . 1 . 1 94 94 ILE HA H 1 4.988 0.000 . 1 . . . . . 94 ILE HA . 50957 1 1232 . 1 . 1 94 94 ILE HB H 1 2.303 0.000 . 1 . . . . . 94 ILE HB . 50957 1 1233 . 1 . 1 94 94 ILE HG12 H 1 1.431 0.000 . 2 . . . . . 94 ILE HG12 . 50957 1 1234 . 1 . 1 94 94 ILE HG13 H 1 1.045 0.000 . 2 . . . . . 94 ILE HG13 . 50957 1 1235 . 1 . 1 94 94 ILE HG21 H 1 0.940 0.000 . 1 . . . . . 94 ILE HG21 . 50957 1 1236 . 1 . 1 94 94 ILE HG22 H 1 0.940 0.000 . 1 . . . . . 94 ILE HG22 . 50957 1 1237 . 1 . 1 94 94 ILE HG23 H 1 0.940 0.000 . 1 . . . . . 94 ILE HG23 . 50957 1 1238 . 1 . 1 94 94 ILE HD11 H 1 0.851 0.000 . 1 . . . . . 94 ILE HD11 . 50957 1 1239 . 1 . 1 94 94 ILE HD12 H 1 0.851 0.000 . 1 . . . . . 94 ILE HD12 . 50957 1 1240 . 1 . 1 94 94 ILE HD13 H 1 0.851 0.000 . 1 . . . . . 94 ILE HD13 . 50957 1 1241 . 1 . 1 94 94 ILE C C 13 174.932 0.000 . 1 . . . . . 94 ILE C . 50957 1 1242 . 1 . 1 94 94 ILE CA C 13 60.068 0.049 . 1 . . . . . 94 ILE CA . 50957 1 1243 . 1 . 1 94 94 ILE CB C 13 40.975 0.033 . 1 . . . . . 94 ILE CB . 50957 1 1244 . 1 . 1 94 94 ILE CG1 C 13 26.123 0.000 . 1 . . . . . 94 ILE CG1 . 50957 1 1245 . 1 . 1 94 94 ILE CG2 C 13 19.788 0.002 . 1 . . . . . 94 ILE CG2 . 50957 1 1246 . 1 . 1 94 94 ILE CD1 C 13 13.508 0.001 . 1 . . . . . 94 ILE CD1 . 50957 1 1247 . 1 . 1 94 94 ILE N N 15 113.792 0.021 . 1 . . . . . 94 ILE N . 50957 1 1248 . 1 . 1 95 95 ASN H H 1 8.920 0.003 . 1 . . . . . 95 ASN H . 50957 1 1249 . 1 . 1 95 95 ASN HA H 1 4.838 0.000 . 1 . . . . . 95 ASN HA . 50957 1 1250 . 1 . 1 95 95 ASN HB2 H 1 2.412 0.000 . 2 . . . . . 95 ASN HB2 . 50957 1 1251 . 1 . 1 95 95 ASN HB3 H 1 3.020 0.000 . 2 . . . . . 95 ASN HB3 . 50957 1 1252 . 1 . 1 95 95 ASN HD21 H 1 6.911 0.000 . 1 . . . . . 95 ASN HD21 . 50957 1 1253 . 1 . 1 95 95 ASN HD22 H 1 7.431 0.000 . 1 . . . . . 95 ASN HD22 . 50957 1 1254 . 1 . 1 95 95 ASN C C 13 175.293 0.000 . 1 . . . . . 95 ASN C . 50957 1 1255 . 1 . 1 95 95 ASN CA C 13 52.129 0.020 . 1 . . . . . 95 ASN CA . 50957 1 1256 . 1 . 1 95 95 ASN CB C 13 38.985 0.030 . 1 . . . . . 95 ASN CB . 50957 1 1257 . 1 . 1 95 95 ASN N N 15 121.796 0.027 . 1 . . . . . 95 ASN N . 50957 1 1258 . 1 . 1 95 95 ASN ND2 N 15 112.667 0.001 . 1 . . . . . 95 ASN ND2 . 50957 1 1259 . 1 . 1 96 96 GLU H H 1 9.045 0.004 . 1 . . . . . 96 GLU H . 50957 1 1260 . 1 . 1 96 96 GLU HA H 1 4.005 0.000 . 1 . . . . . 96 GLU HA . 50957 1 1261 . 1 . 1 96 96 GLU HB2 H 1 2.043 0.000 . 2 . . . . . 96 GLU HB2 . 50957 1 1262 . 1 . 1 96 96 GLU HB3 H 1 1.964 0.000 . 2 . . . . . 96 GLU HB3 . 50957 1 1263 . 1 . 1 96 96 GLU HG2 H 1 2.312 0.000 . 2 . . . . . 96 GLU HG2 . 50957 1 1264 . 1 . 1 96 96 GLU HG3 H 1 2.250 0.000 . 2 . . . . . 96 GLU HG3 . 50957 1 1265 . 1 . 1 96 96 GLU C C 13 177.496 0.000 . 1 . . . . . 96 GLU C . 50957 1 1266 . 1 . 1 96 96 GLU CA C 13 58.467 0.042 . 1 . . . . . 96 GLU CA . 50957 1 1267 . 1 . 1 96 96 GLU CB C 13 29.678 0.035 . 1 . . . . . 96 GLU CB . 50957 1 1268 . 1 . 1 96 96 GLU CG C 13 36.608 0.001 . 1 . . . . . 96 GLU CG . 50957 1 1269 . 1 . 1 96 96 GLU N N 15 123.108 0.020 . 1 . . . . . 96 GLU N . 50957 1 1270 . 1 . 1 97 97 LYS H H 1 8.116 0.003 . 1 . . . . . 97 LYS H . 50957 1 1271 . 1 . 1 97 97 LYS HA H 1 3.992 0.000 . 1 . . . . . 97 LYS HA . 50957 1 1272 . 1 . 1 97 97 LYS HB2 H 1 1.906 0.000 . 2 . . . . . 97 LYS HB2 . 50957 1 1273 . 1 . 1 97 97 LYS HB3 H 1 1.820 0.000 . 2 . . . . . 97 LYS HB3 . 50957 1 1274 . 1 . 1 97 97 LYS HG2 H 1 1.378 0.000 . 2 . . . . . 97 LYS HG2 . 50957 1 1275 . 1 . 1 97 97 LYS HG3 H 1 1.482 0.000 . 2 . . . . . 97 LYS HG3 . 50957 1 1276 . 1 . 1 97 97 LYS HD2 H 1 1.662 0.000 . 1 . . . . . 97 LYS HD2 . 50957 1 1277 . 1 . 1 97 97 LYS HD3 H 1 1.662 0.000 . 1 . . . . . 97 LYS HD3 . 50957 1 1278 . 1 . 1 97 97 LYS HE2 H 1 2.983 0.000 . 1 . . . . . 97 LYS HE2 . 50957 1 1279 . 1 . 1 97 97 LYS HE3 H 1 2.983 0.000 . 1 . . . . . 97 LYS HE3 . 50957 1 1280 . 1 . 1 97 97 LYS C C 13 177.758 0.000 . 1 . . . . . 97 LYS C . 50957 1 1281 . 1 . 1 97 97 LYS CA C 13 57.817 0.000 . 1 . . . . . 97 LYS CA . 50957 1 1282 . 1 . 1 97 97 LYS CB C 13 32.418 0.010 . 1 . . . . . 97 LYS CB . 50957 1 1283 . 1 . 1 97 97 LYS CG C 13 25.217 0.000 . 1 . . . . . 97 LYS CG . 50957 1 1284 . 1 . 1 97 97 LYS CD C 13 28.830 0.001 . 1 . . . . . 97 LYS CD . 50957 1 1285 . 1 . 1 97 97 LYS CE C 13 42.125 0.000 . 1 . . . . . 97 LYS CE . 50957 1 1286 . 1 . 1 97 97 LYS N N 15 116.181 0.023 . 1 . . . . . 97 LYS N . 50957 1 1287 . 1 . 1 98 98 THR H H 1 7.037 0.003 . 1 . . . . . 98 THR H . 50957 1 1288 . 1 . 1 98 98 THR HA H 1 4.263 0.000 . 1 . . . . . 98 THR HA . 50957 1 1289 . 1 . 1 98 98 THR HB H 1 4.434 0.000 . 1 . . . . . 98 THR HB . 50957 1 1290 . 1 . 1 98 98 THR HG21 H 1 0.975 0.001 . 1 . . . . . 98 THR HG21 . 50957 1 1291 . 1 . 1 98 98 THR HG22 H 1 0.975 0.001 . 1 . . . . . 98 THR HG22 . 50957 1 1292 . 1 . 1 98 98 THR HG23 H 1 0.975 0.001 . 1 . . . . . 98 THR HG23 . 50957 1 1293 . 1 . 1 98 98 THR C C 13 173.945 0.000 . 1 . . . . . 98 THR C . 50957 1 1294 . 1 . 1 98 98 THR CA C 13 60.186 0.036 . 1 . . . . . 98 THR CA . 50957 1 1295 . 1 . 1 98 98 THR CB C 13 69.021 0.030 . 1 . . . . . 98 THR CB . 50957 1 1296 . 1 . 1 98 98 THR CG2 C 13 21.010 0.004 . 1 . . . . . 98 THR CG2 . 50957 1 1297 . 1 . 1 98 98 THR N N 15 104.802 0.005 . 1 . . . . . 98 THR N . 50957 1 1298 . 1 . 1 99 99 PHE H H 1 7.354 0.005 . 1 . . . . . 99 PHE H . 50957 1 1299 . 1 . 1 99 99 PHE HA H 1 3.253 0.003 . 1 . . . . . 99 PHE HA . 50957 1 1300 . 1 . 1 99 99 PHE HB2 H 1 3.067 0.002 . 2 . . . . . 99 PHE HB2 . 50957 1 1301 . 1 . 1 99 99 PHE HB3 H 1 2.602 0.000 . 2 . . . . . 99 PHE HB3 . 50957 1 1302 . 1 . 1 99 99 PHE HD1 H 1 7.039 0.001 . 1 . . . . . 99 PHE HD1 . 50957 1 1303 . 1 . 1 99 99 PHE HD2 H 1 7.039 0.001 . 1 . . . . . 99 PHE HD2 . 50957 1 1304 . 1 . 1 99 99 PHE HE1 H 1 7.340 0.005 . 1 . . . . . 99 PHE HE1 . 50957 1 1305 . 1 . 1 99 99 PHE HE2 H 1 7.340 0.005 . 1 . . . . . 99 PHE HE2 . 50957 1 1306 . 1 . 1 99 99 PHE HZ H 1 7.280 0.000 . 1 . . . . . 99 PHE HZ . 50957 1 1307 . 1 . 1 99 99 PHE C C 13 173.594 0.000 . 1 . . . . . 99 PHE C . 50957 1 1308 . 1 . 1 99 99 PHE CA C 13 57.621 0.013 . 1 . . . . . 99 PHE CA . 50957 1 1309 . 1 . 1 99 99 PHE CB C 13 35.527 0.027 . 1 . . . . . 99 PHE CB . 50957 1 1310 . 1 . 1 99 99 PHE CD1 C 13 131.470 0.000 . 1 . . . . . 99 PHE CD1 . 50957 1 1311 . 1 . 1 99 99 PHE CD2 C 13 131.470 0.000 . 1 . . . . . 99 PHE CD2 . 50957 1 1312 . 1 . 1 99 99 PHE CE1 C 13 131.602 0.000 . 1 . . . . . 99 PHE CE1 . 50957 1 1313 . 1 . 1 99 99 PHE CE2 C 13 131.602 0.000 . 1 . . . . . 99 PHE CE2 . 50957 1 1314 . 1 . 1 99 99 PHE CZ C 13 129.389 0.000 . 1 . . . . . 99 PHE CZ . 50957 1 1315 . 1 . 1 99 99 PHE N N 15 120.611 0.028 . 1 . . . . . 99 PHE N . 50957 1 1316 . 1 . 1 100 100 SER H H 1 7.545 0.005 . 1 . . . . . 100 SER H . 50957 1 1317 . 1 . 1 100 100 SER HA H 1 4.978 0.000 . 1 . . . . . 100 SER HA . 50957 1 1318 . 1 . 1 100 100 SER HB2 H 1 3.488 0.001 . 2 . . . . . 100 SER HB2 . 50957 1 1319 . 1 . 1 100 100 SER HB3 H 1 3.341 0.000 . 2 . . . . . 100 SER HB3 . 50957 1 1320 . 1 . 1 100 100 SER C C 13 171.795 0.000 . 1 . . . . . 100 SER C . 50957 1 1321 . 1 . 1 100 100 SER CA C 13 56.673 0.074 . 1 . . . . . 100 SER CA . 50957 1 1322 . 1 . 1 100 100 SER CB C 13 66.967 0.033 . 1 . . . . . 100 SER CB . 50957 1 1323 . 1 . 1 100 100 SER N N 15 109.202 0.035 . 1 . . . . . 100 SER N . 50957 1 1324 . 1 . 1 101 101 ALA H H 1 9.575 0.004 . 1 . . . . . 101 ALA H . 50957 1 1325 . 1 . 1 101 101 ALA HA H 1 5.256 0.000 . 1 . . . . . 101 ALA HA . 50957 1 1326 . 1 . 1 101 101 ALA HB1 H 1 1.323 0.000 . 1 . . . . . 101 ALA HB1 . 50957 1 1327 . 1 . 1 101 101 ALA HB2 H 1 1.323 0.000 . 1 . . . . . 101 ALA HB2 . 50957 1 1328 . 1 . 1 101 101 ALA HB3 H 1 1.323 0.000 . 1 . . . . . 101 ALA HB3 . 50957 1 1329 . 1 . 1 101 101 ALA C C 13 175.813 0.000 . 1 . . . . . 101 ALA C . 50957 1 1330 . 1 . 1 101 101 ALA CA C 13 50.489 0.013 . 1 . . . . . 101 ALA CA . 50957 1 1331 . 1 . 1 101 101 ALA CB C 13 23.705 0.020 . 1 . . . . . 101 ALA CB . 50957 1 1332 . 1 . 1 101 101 ALA N N 15 123.314 0.028 . 1 . . . . . 101 ALA N . 50957 1 1333 . 1 . 1 102 102 THR H H 1 8.585 0.004 . 1 . . . . . 102 THR H . 50957 1 1334 . 1 . 1 102 102 THR HA H 1 5.440 0.000 . 1 . . . . . 102 THR HA . 50957 1 1335 . 1 . 1 102 102 THR HB H 1 4.077 0.000 . 1 . . . . . 102 THR HB . 50957 1 1336 . 1 . 1 102 102 THR HG21 H 1 1.050 0.000 . 1 . . . . . 102 THR HG21 . 50957 1 1337 . 1 . 1 102 102 THR HG22 H 1 1.050 0.000 . 1 . . . . . 102 THR HG22 . 50957 1 1338 . 1 . 1 102 102 THR HG23 H 1 1.050 0.000 . 1 . . . . . 102 THR HG23 . 50957 1 1339 . 1 . 1 102 102 THR C C 13 174.663 0.000 . 1 . . . . . 102 THR C . 50957 1 1340 . 1 . 1 102 102 THR CA C 13 61.463 0.033 . 1 . . . . . 102 THR CA . 50957 1 1341 . 1 . 1 102 102 THR CB C 13 70.002 0.012 . 1 . . . . . 102 THR CB . 50957 1 1342 . 1 . 1 102 102 THR CG2 C 13 21.626 0.001 . 1 . . . . . 102 THR CG2 . 50957 1 1343 . 1 . 1 102 102 THR N N 15 116.154 0.026 . 1 . . . . . 102 THR N . 50957 1 1344 . 1 . 1 103 103 ILE H H 1 8.898 0.005 . 1 . . . . . 103 ILE H . 50957 1 1345 . 1 . 1 103 103 ILE HA H 1 5.291 0.000 . 1 . . . . . 103 ILE HA . 50957 1 1346 . 1 . 1 103 103 ILE HB H 1 1.532 0.000 . 1 . . . . . 103 ILE HB . 50957 1 1347 . 1 . 1 103 103 ILE HG12 H 1 1.201 0.000 . 2 . . . . . 103 ILE HG12 . 50957 1 1348 . 1 . 1 103 103 ILE HG13 H 1 1.037 0.000 . 2 . . . . . 103 ILE HG13 . 50957 1 1349 . 1 . 1 103 103 ILE HG21 H 1 0.694 0.000 . 1 . . . . . 103 ILE HG21 . 50957 1 1350 . 1 . 1 103 103 ILE HG22 H 1 0.694 0.000 . 1 . . . . . 103 ILE HG22 . 50957 1 1351 . 1 . 1 103 103 ILE HG23 H 1 0.694 0.000 . 1 . . . . . 103 ILE HG23 . 50957 1 1352 . 1 . 1 103 103 ILE HD11 H 1 0.517 0.000 . 1 . . . . . 103 ILE HD11 . 50957 1 1353 . 1 . 1 103 103 ILE HD12 H 1 0.517 0.000 . 1 . . . . . 103 ILE HD12 . 50957 1 1354 . 1 . 1 103 103 ILE HD13 H 1 0.517 0.000 . 1 . . . . . 103 ILE HD13 . 50957 1 1355 . 1 . 1 103 103 ILE C C 13 173.183 0.000 . 1 . . . . . 103 ILE C . 50957 1 1356 . 1 . 1 103 103 ILE CA C 13 57.906 0.030 . 1 . . . . . 103 ILE CA . 50957 1 1357 . 1 . 1 103 103 ILE CB C 13 42.247 0.018 . 1 . . . . . 103 ILE CB . 50957 1 1358 . 1 . 1 103 103 ILE CG1 C 13 26.253 0.000 . 1 . . . . . 103 ILE CG1 . 50957 1 1359 . 1 . 1 103 103 ILE CG2 C 13 17.355 0.001 . 1 . . . . . 103 ILE CG2 . 50957 1 1360 . 1 . 1 103 103 ILE CD1 C 13 15.218 0.002 . 1 . . . . . 103 ILE CD1 . 50957 1 1361 . 1 . 1 103 103 ILE N N 15 120.060 0.035 . 1 . . . . . 103 ILE N . 50957 1 1362 . 1 . 1 104 104 VAL H H 1 8.581 0.004 . 1 . . . . . 104 VAL H . 50957 1 1363 . 1 . 1 104 104 VAL HA H 1 4.713 0.000 . 1 . . . . . 104 VAL HA . 50957 1 1364 . 1 . 1 104 104 VAL HB H 1 1.825 0.001 . 1 . . . . . 104 VAL HB . 50957 1 1365 . 1 . 1 104 104 VAL HG11 H 1 0.717 0.000 . 2 . . . . . 104 VAL HG11 . 50957 1 1366 . 1 . 1 104 104 VAL HG12 H 1 0.717 0.000 . 2 . . . . . 104 VAL HG12 . 50957 1 1367 . 1 . 1 104 104 VAL HG13 H 1 0.717 0.000 . 2 . . . . . 104 VAL HG13 . 50957 1 1368 . 1 . 1 104 104 VAL HG21 H 1 0.803 0.000 . 2 . . . . . 104 VAL HG21 . 50957 1 1369 . 1 . 1 104 104 VAL HG22 H 1 0.803 0.000 . 2 . . . . . 104 VAL HG22 . 50957 1 1370 . 1 . 1 104 104 VAL HG23 H 1 0.803 0.000 . 2 . . . . . 104 VAL HG23 . 50957 1 1371 . 1 . 1 104 104 VAL C C 13 176.392 0.000 . 1 . . . . . 104 VAL C . 50957 1 1372 . 1 . 1 104 104 VAL CA C 13 60.824 0.007 . 1 . . . . . 104 VAL CA . 50957 1 1373 . 1 . 1 104 104 VAL CB C 13 33.946 0.019 . 1 . . . . . 104 VAL CB . 50957 1 1374 . 1 . 1 104 104 VAL CG1 C 13 20.686 0.007 . 2 . . . . . 104 VAL CG1 . 50957 1 1375 . 1 . 1 104 104 VAL CG2 C 13 21.263 0.006 . 2 . . . . . 104 VAL CG2 . 50957 1 1376 . 1 . 1 104 104 VAL N N 15 120.763 0.028 . 1 . . . . . 104 VAL N . 50957 1 1377 . 1 . 1 105 105 ILE H H 1 8.806 0.003 . 1 . . . . . 105 ILE H . 50957 1 1378 . 1 . 1 105 105 ILE HA H 1 3.942 0.000 . 1 . . . . . 105 ILE HA . 50957 1 1379 . 1 . 1 105 105 ILE HB H 1 2.111 0.000 . 1 . . . . . 105 ILE HB . 50957 1 1380 . 1 . 1 105 105 ILE HG12 H 1 1.278 0.000 . 2 . . . . . 105 ILE HG12 . 50957 1 1381 . 1 . 1 105 105 ILE HG13 H 1 1.153 0.000 . 2 . . . . . 105 ILE HG13 . 50957 1 1382 . 1 . 1 105 105 ILE HG21 H 1 1.080 0.000 . 1 . . . . . 105 ILE HG21 . 50957 1 1383 . 1 . 1 105 105 ILE HG22 H 1 1.080 0.000 . 1 . . . . . 105 ILE HG22 . 50957 1 1384 . 1 . 1 105 105 ILE HG23 H 1 1.080 0.000 . 1 . . . . . 105 ILE HG23 . 50957 1 1385 . 1 . 1 105 105 ILE HD11 H 1 0.470 0.000 . 1 . . . . . 105 ILE HD11 . 50957 1 1386 . 1 . 1 105 105 ILE HD12 H 1 0.470 0.000 . 1 . . . . . 105 ILE HD12 . 50957 1 1387 . 1 . 1 105 105 ILE HD13 H 1 0.470 0.000 . 1 . . . . . 105 ILE HD13 . 50957 1 1388 . 1 . 1 105 105 ILE C C 13 177.118 0.000 . 1 . . . . . 105 ILE C . 50957 1 1389 . 1 . 1 105 105 ILE CA C 13 61.730 0.029 . 1 . . . . . 105 ILE CA . 50957 1 1390 . 1 . 1 105 105 ILE CB C 13 35.854 0.017 . 1 . . . . . 105 ILE CB . 50957 1 1391 . 1 . 1 105 105 ILE CG1 C 13 27.925 0.001 . 1 . . . . . 105 ILE CG1 . 50957 1 1392 . 1 . 1 105 105 ILE CG2 C 13 19.003 0.001 . 1 . . . . . 105 ILE CG2 . 50957 1 1393 . 1 . 1 105 105 ILE CD1 C 13 10.934 0.003 . 1 . . . . . 105 ILE CD1 . 50957 1 1394 . 1 . 1 105 105 ILE N N 15 127.660 0.029 . 1 . . . . . 105 ILE N . 50957 1 1395 . 1 . 1 106 106 GLU H H 1 9.209 0.004 . 1 . . . . . 106 GLU H . 50957 1 1396 . 1 . 1 106 106 GLU HA H 1 5.025 0.000 . 1 . . . . . 106 GLU HA . 50957 1 1397 . 1 . 1 106 106 GLU HB2 H 1 1.330 0.000 . 2 . . . . . 106 GLU HB2 . 50957 1 1398 . 1 . 1 106 106 GLU HB3 H 1 2.361 0.000 . 2 . . . . . 106 GLU HB3 . 50957 1 1399 . 1 . 1 106 106 GLU HG2 H 1 2.436 0.000 . 2 . . . . . 106 GLU HG2 . 50957 1 1400 . 1 . 1 106 106 GLU HG3 H 1 2.186 0.000 . 2 . . . . . 106 GLU HG3 . 50957 1 1401 . 1 . 1 106 106 GLU C C 13 175.800 0.000 . 1 . . . . . 106 GLU C . 50957 1 1402 . 1 . 1 106 106 GLU CA C 13 56.358 0.039 . 1 . . . . . 106 GLU CA . 50957 1 1403 . 1 . 1 106 106 GLU CB C 13 32.415 0.041 . 1 . . . . . 106 GLU CB . 50957 1 1404 . 1 . 1 106 106 GLU CG C 13 34.011 0.000 . 1 . . . . . 106 GLU CG . 50957 1 1405 . 1 . 1 106 106 GLU N N 15 124.843 0.026 . 1 . . . . . 106 GLU N . 50957 1 1406 . 1 . 1 107 107 THR H H 1 7.358 0.003 . 1 . . . . . 107 THR H . 50957 1 1407 . 1 . 1 107 107 THR HA H 1 4.781 0.000 . 1 . . . . . 107 THR HA . 50957 1 1408 . 1 . 1 107 107 THR HB H 1 4.464 0.000 . 1 . . . . . 107 THR HB . 50957 1 1409 . 1 . 1 107 107 THR HG21 H 1 1.190 0.000 . 1 . . . . . 107 THR HG21 . 50957 1 1410 . 1 . 1 107 107 THR HG22 H 1 1.190 0.000 . 1 . . . . . 107 THR HG22 . 50957 1 1411 . 1 . 1 107 107 THR HG23 H 1 1.190 0.000 . 1 . . . . . 107 THR HG23 . 50957 1 1412 . 1 . 1 107 107 THR C C 13 173.942 0.000 . 1 . . . . . 107 THR C . 50957 1 1413 . 1 . 1 107 107 THR CA C 13 59.251 0.006 . 1 . . . . . 107 THR CA . 50957 1 1414 . 1 . 1 107 107 THR CB C 13 72.741 0.018 . 1 . . . . . 107 THR CB . 50957 1 1415 . 1 . 1 107 107 THR CG2 C 13 22.050 0.001 . 1 . . . . . 107 THR CG2 . 50957 1 1416 . 1 . 1 107 107 THR N N 15 108.623 0.037 . 1 . . . . . 107 THR N . 50957 1 1417 . 1 . 1 108 108 GLY H H 1 8.539 0.003 . 1 . . . . . 108 GLY H . 50957 1 1418 . 1 . 1 108 108 GLY HA2 H 1 4.463 0.000 . 2 . . . . . 108 GLY HA2 . 50957 1 1419 . 1 . 1 108 108 GLY HA3 H 1 3.937 0.000 . 2 . . . . . 108 GLY HA3 . 50957 1 1420 . 1 . 1 108 108 GLY CA C 13 45.630 0.007 . 1 . . . . . 108 GLY CA . 50957 1 1421 . 1 . 1 108 108 GLY N N 15 105.146 0.031 . 1 . . . . . 108 GLY N . 50957 1 1422 . 1 . 1 109 109 PRO HA H 1 4.411 0.000 . 1 . . . . . 109 PRO HA . 50957 1 1423 . 1 . 1 109 109 PRO HB2 H 1 2.412 0.000 . 2 . . . . . 109 PRO HB2 . 50957 1 1424 . 1 . 1 109 109 PRO HB3 H 1 1.960 0.000 . 2 . . . . . 109 PRO HB3 . 50957 1 1425 . 1 . 1 109 109 PRO HG2 H 1 2.081 0.000 . 2 . . . . . 109 PRO HG2 . 50957 1 1426 . 1 . 1 109 109 PRO HG3 H 1 2.031 0.000 . 2 . . . . . 109 PRO HG3 . 50957 1 1427 . 1 . 1 109 109 PRO HD2 H 1 3.954 0.000 . 2 . . . . . 109 PRO HD2 . 50957 1 1428 . 1 . 1 109 109 PRO HD3 H 1 3.601 0.000 . 2 . . . . . 109 PRO HD3 . 50957 1 1429 . 1 . 1 109 109 PRO C C 13 178.206 0.000 . 1 . . . . . 109 PRO C . 50957 1 1430 . 1 . 1 109 109 PRO CA C 13 64.494 0.025 . 1 . . . . . 109 PRO CA . 50957 1 1431 . 1 . 1 109 109 PRO CB C 13 32.107 0.025 . 1 . . . . . 109 PRO CB . 50957 1 1432 . 1 . 1 109 109 PRO CG C 13 27.287 0.001 . 1 . . . . . 109 PRO CG . 50957 1 1433 . 1 . 1 109 109 PRO CD C 13 49.881 0.002 . 1 . . . . . 109 PRO CD . 50957 1 1434 . 1 . 1 110 110 LEU H H 1 9.006 0.003 . 1 . . . . . 110 LEU H . 50957 1 1435 . 1 . 1 110 110 LEU HA H 1 4.440 0.001 . 1 . . . . . 110 LEU HA . 50957 1 1436 . 1 . 1 110 110 LEU HB2 H 1 1.963 0.000 . 2 . . . . . 110 LEU HB2 . 50957 1 1437 . 1 . 1 110 110 LEU HB3 H 1 1.649 0.000 . 2 . . . . . 110 LEU HB3 . 50957 1 1438 . 1 . 1 110 110 LEU HG H 1 1.594 0.001 . 1 . . . . . 110 LEU HG . 50957 1 1439 . 1 . 1 110 110 LEU HD11 H 1 0.855 0.001 . 2 . . . . . 110 LEU HD11 . 50957 1 1440 . 1 . 1 110 110 LEU HD12 H 1 0.855 0.001 . 2 . . . . . 110 LEU HD12 . 50957 1 1441 . 1 . 1 110 110 LEU HD13 H 1 0.855 0.001 . 2 . . . . . 110 LEU HD13 . 50957 1 1442 . 1 . 1 110 110 LEU HD21 H 1 1.015 0.000 . 2 . . . . . 110 LEU HD21 . 50957 1 1443 . 1 . 1 110 110 LEU HD22 H 1 1.015 0.000 . 2 . . . . . 110 LEU HD22 . 50957 1 1444 . 1 . 1 110 110 LEU HD23 H 1 1.015 0.000 . 2 . . . . . 110 LEU HD23 . 50957 1 1445 . 1 . 1 110 110 LEU C C 13 174.726 0.000 . 1 . . . . . 110 LEU C . 50957 1 1446 . 1 . 1 110 110 LEU CA C 13 53.576 0.024 . 1 . . . . . 110 LEU CA . 50957 1 1447 . 1 . 1 110 110 LEU CB C 13 40.647 0.013 . 1 . . . . . 110 LEU CB . 50957 1 1448 . 1 . 1 110 110 LEU CG C 13 27.328 0.004 . 1 . . . . . 110 LEU CG . 50957 1 1449 . 1 . 1 110 110 LEU CD1 C 13 22.713 0.005 . 2 . . . . . 110 LEU CD1 . 50957 1 1450 . 1 . 1 110 110 LEU CD2 C 13 26.055 0.005 . 2 . . . . . 110 LEU CD2 . 50957 1 1451 . 1 . 1 110 110 LEU N N 15 118.178 0.028 . 1 . . . . . 110 LEU N . 50957 1 1452 . 1 . 1 111 111 LYS H H 1 7.191 0.003 . 1 . . . . . 111 LYS H . 50957 1 1453 . 1 . 1 111 111 LYS HA H 1 3.455 0.001 . 1 . . . . . 111 LYS HA . 50957 1 1454 . 1 . 1 111 111 LYS HB2 H 1 1.591 0.000 . 2 . . . . . 111 LYS HB2 . 50957 1 1455 . 1 . 1 111 111 LYS HB3 H 1 1.645 0.000 . 2 . . . . . 111 LYS HB3 . 50957 1 1456 . 1 . 1 111 111 LYS HG2 H 1 1.252 0.001 . 1 . . . . . 111 LYS HG2 . 50957 1 1457 . 1 . 1 111 111 LYS HG3 H 1 1.252 0.001 . 1 . . . . . 111 LYS HG3 . 50957 1 1458 . 1 . 1 111 111 LYS HD2 H 1 1.645 0.000 . 1 . . . . . 111 LYS HD2 . 50957 1 1459 . 1 . 1 111 111 LYS HD3 H 1 1.645 0.000 . 1 . . . . . 111 LYS HD3 . 50957 1 1460 . 1 . 1 111 111 LYS HE2 H 1 3.043 0.000 . 1 . . . . . 111 LYS HE2 . 50957 1 1461 . 1 . 1 111 111 LYS HE3 H 1 3.043 0.000 . 1 . . . . . 111 LYS HE3 . 50957 1 1462 . 1 . 1 111 111 LYS C C 13 177.192 0.000 . 1 . . . . . 111 LYS C . 50957 1 1463 . 1 . 1 111 111 LYS CA C 13 58.565 0.028 . 1 . . . . . 111 LYS CA . 50957 1 1464 . 1 . 1 111 111 LYS CB C 13 32.417 0.004 . 1 . . . . . 111 LYS CB . 50957 1 1465 . 1 . 1 111 111 LYS CG C 13 24.322 0.007 . 1 . . . . . 111 LYS CG . 50957 1 1466 . 1 . 1 111 111 LYS CD C 13 29.709 0.001 . 1 . . . . . 111 LYS CD . 50957 1 1467 . 1 . 1 111 111 LYS CE C 13 42.155 0.003 . 1 . . . . . 111 LYS CE . 50957 1 1468 . 1 . 1 111 111 LYS N N 15 119.080 0.043 . 1 . . . . . 111 LYS N . 50957 1 1469 . 1 . 1 112 112 GLY H H 1 9.224 0.004 . 1 . . . . . 112 GLY H . 50957 1 1470 . 1 . 1 112 112 GLY HA2 H 1 4.386 0.000 . 2 . . . . . 112 GLY HA2 . 50957 1 1471 . 1 . 1 112 112 GLY HA3 H 1 3.501 0.000 . 2 . . . . . 112 GLY HA3 . 50957 1 1472 . 1 . 1 112 112 GLY C C 13 174.440 0.000 . 1 . . . . . 112 GLY C . 50957 1 1473 . 1 . 1 112 112 GLY CA C 13 44.554 0.019 . 1 . . . . . 112 GLY CA . 50957 1 1474 . 1 . 1 112 112 GLY N N 15 115.480 0.048 . 1 . . . . . 112 GLY N . 50957 1 1475 . 1 . 1 113 113 ARG H H 1 8.327 0.004 . 1 . . . . . 113 ARG H . 50957 1 1476 . 1 . 1 113 113 ARG HA H 1 4.227 0.000 . 1 . . . . . 113 ARG HA . 50957 1 1477 . 1 . 1 113 113 ARG HB2 H 1 1.994 0.000 . 2 . . . . . 113 ARG HB2 . 50957 1 1478 . 1 . 1 113 113 ARG HB3 H 1 1.731 0.000 . 2 . . . . . 113 ARG HB3 . 50957 1 1479 . 1 . 1 113 113 ARG HG2 H 1 1.594 0.000 . 1 . . . . . 113 ARG HG2 . 50957 1 1480 . 1 . 1 113 113 ARG HG3 H 1 1.594 0.000 . 1 . . . . . 113 ARG HG3 . 50957 1 1481 . 1 . 1 113 113 ARG HD2 H 1 3.268 0.000 . 2 . . . . . 113 ARG HD2 . 50957 1 1482 . 1 . 1 113 113 ARG HD3 H 1 3.143 0.000 . 2 . . . . . 113 ARG HD3 . 50957 1 1483 . 1 . 1 113 113 ARG C C 13 174.517 0.000 . 1 . . . . . 113 ARG C . 50957 1 1484 . 1 . 1 113 113 ARG CA C 13 56.272 0.027 . 1 . . . . . 113 ARG CA . 50957 1 1485 . 1 . 1 113 113 ARG CB C 13 30.617 0.013 . 1 . . . . . 113 ARG CB . 50957 1 1486 . 1 . 1 113 113 ARG CG C 13 27.199 0.001 . 1 . . . . . 113 ARG CG . 50957 1 1487 . 1 . 1 113 113 ARG CD C 13 43.082 0.001 . 1 . . . . . 113 ARG CD . 50957 1 1488 . 1 . 1 113 113 ARG N N 15 121.646 0.027 . 1 . . . . . 113 ARG N . 50957 1 1489 . 1 . 1 114 114 ARG H H 1 8.541 0.003 . 1 . . . . . 114 ARG H . 50957 1 1490 . 1 . 1 114 114 ARG HA H 1 5.014 0.000 . 1 . . . . . 114 ARG HA . 50957 1 1491 . 1 . 1 114 114 ARG HB2 H 1 1.697 0.000 . 1 . . . . . 114 ARG HB2 . 50957 1 1492 . 1 . 1 114 114 ARG HB3 H 1 1.697 0.000 . 1 . . . . . 114 ARG HB3 . 50957 1 1493 . 1 . 1 114 114 ARG HG2 H 1 1.258 0.000 . 2 . . . . . 114 ARG HG2 . 50957 1 1494 . 1 . 1 114 114 ARG HG3 H 1 1.376 0.000 . 2 . . . . . 114 ARG HG3 . 50957 1 1495 . 1 . 1 114 114 ARG HD2 H 1 3.168 0.000 . 2 . . . . . 114 ARG HD2 . 50957 1 1496 . 1 . 1 114 114 ARG HD3 H 1 3.100 0.000 . 2 . . . . . 114 ARG HD3 . 50957 1 1497 . 1 . 1 114 114 ARG C C 13 175.994 0.000 . 1 . . . . . 114 ARG C . 50957 1 1498 . 1 . 1 114 114 ARG CA C 13 55.164 0.025 . 1 . . . . . 114 ARG CA . 50957 1 1499 . 1 . 1 114 114 ARG CB C 13 31.664 0.045 . 1 . . . . . 114 ARG CB . 50957 1 1500 . 1 . 1 114 114 ARG CG C 13 28.781 0.000 . 1 . . . . . 114 ARG CG . 50957 1 1501 . 1 . 1 114 114 ARG CD C 13 43.134 0.003 . 1 . . . . . 114 ARG CD . 50957 1 1502 . 1 . 1 114 114 ARG N N 15 126.487 0.033 . 1 . . . . . 114 ARG N . 50957 1 1503 . 1 . 1 115 115 VAL H H 1 9.199 0.003 . 1 . . . . . 115 VAL H . 50957 1 1504 . 1 . 1 115 115 VAL HA H 1 4.194 0.000 . 1 . . . . . 115 VAL HA . 50957 1 1505 . 1 . 1 115 115 VAL HB H 1 1.664 0.000 . 1 . . . . . 115 VAL HB . 50957 1 1506 . 1 . 1 115 115 VAL HG11 H 1 0.737 0.000 . 2 . . . . . 115 VAL HG11 . 50957 1 1507 . 1 . 1 115 115 VAL HG12 H 1 0.737 0.000 . 2 . . . . . 115 VAL HG12 . 50957 1 1508 . 1 . 1 115 115 VAL HG13 H 1 0.737 0.000 . 2 . . . . . 115 VAL HG13 . 50957 1 1509 . 1 . 1 115 115 VAL HG21 H 1 0.258 0.000 . 2 . . . . . 115 VAL HG21 . 50957 1 1510 . 1 . 1 115 115 VAL HG22 H 1 0.258 0.000 . 2 . . . . . 115 VAL HG22 . 50957 1 1511 . 1 . 1 115 115 VAL HG23 H 1 0.258 0.000 . 2 . . . . . 115 VAL HG23 . 50957 1 1512 . 1 . 1 115 115 VAL C C 13 174.062 0.000 . 1 . . . . . 115 VAL C . 50957 1 1513 . 1 . 1 115 115 VAL CA C 13 61.788 0.057 . 1 . . . . . 115 VAL CA . 50957 1 1514 . 1 . 1 115 115 VAL CB C 13 33.637 0.021 . 1 . . . . . 115 VAL CB . 50957 1 1515 . 1 . 1 115 115 VAL CG1 C 13 21.585 0.000 . 2 . . . . . 115 VAL CG1 . 50957 1 1516 . 1 . 1 115 115 VAL CG2 C 13 19.538 0.001 . 2 . . . . . 115 VAL CG2 . 50957 1 1517 . 1 . 1 115 115 VAL N N 15 127.817 0.045 . 1 . . . . . 115 VAL N . 50957 1 1518 . 1 . 1 116 116 GLU H H 1 8.582 0.003 . 1 . . . . . 116 GLU H . 50957 1 1519 . 1 . 1 116 116 GLU HA H 1 4.869 0.000 . 1 . . . . . 116 GLU HA . 50957 1 1520 . 1 . 1 116 116 GLU HB2 H 1 1.957 0.000 . 2 . . . . . 116 GLU HB2 . 50957 1 1521 . 1 . 1 116 116 GLU HB3 H 1 1.884 0.000 . 2 . . . . . 116 GLU HB3 . 50957 1 1522 . 1 . 1 116 116 GLU HG2 H 1 2.212 0.000 . 2 . . . . . 116 GLU HG2 . 50957 1 1523 . 1 . 1 116 116 GLU HG3 H 1 2.162 0.000 . 2 . . . . . 116 GLU HG3 . 50957 1 1524 . 1 . 1 116 116 GLU C C 13 177.067 0.000 . 1 . . . . . 116 GLU C . 50957 1 1525 . 1 . 1 116 116 GLU CA C 13 55.037 0.029 . 1 . . . . . 116 GLU CA . 50957 1 1526 . 1 . 1 116 116 GLU CB C 13 32.170 0.013 . 1 . . . . . 116 GLU CB . 50957 1 1527 . 1 . 1 116 116 GLU CG C 13 36.517 0.000 . 1 . . . . . 116 GLU CG . 50957 1 1528 . 1 . 1 116 116 GLU N N 15 124.645 0.024 . 1 . . . . . 116 GLU N . 50957 1 1529 . 1 . 1 117 117 GLY H H 1 7.977 0.003 . 1 . . . . . 117 GLY H . 50957 1 1530 . 1 . 1 117 117 GLY HA2 H 1 3.958 0.000 . 2 . . . . . 117 GLY HA2 . 50957 1 1531 . 1 . 1 117 117 GLY HA3 H 1 3.642 0.000 . 2 . . . . . 117 GLY HA3 . 50957 1 1532 . 1 . 1 117 117 GLY C C 13 175.029 0.000 . 1 . . . . . 117 GLY C . 50957 1 1533 . 1 . 1 117 117 GLY CA C 13 46.786 0.013 . 1 . . . . . 117 GLY CA . 50957 1 1534 . 1 . 1 117 117 GLY N N 15 109.602 0.044 . 1 . . . . . 117 GLY N . 50957 1 1535 . 1 . 1 118 118 ILE H H 1 8.631 0.003 . 1 . . . . . 118 ILE H . 50957 1 1536 . 1 . 1 118 118 ILE HA H 1 4.315 0.000 . 1 . . . . . 118 ILE HA . 50957 1 1537 . 1 . 1 118 118 ILE HB H 1 1.755 0.000 . 1 . . . . . 118 ILE HB . 50957 1 1538 . 1 . 1 118 118 ILE HG12 H 1 1.505 0.000 . 2 . . . . . 118 ILE HG12 . 50957 1 1539 . 1 . 1 118 118 ILE HG13 H 1 1.306 0.001 . 2 . . . . . 118 ILE HG13 . 50957 1 1540 . 1 . 1 118 118 ILE HG21 H 1 0.970 0.000 . 1 . . . . . 118 ILE HG21 . 50957 1 1541 . 1 . 1 118 118 ILE HG22 H 1 0.970 0.000 . 1 . . . . . 118 ILE HG22 . 50957 1 1542 . 1 . 1 118 118 ILE HG23 H 1 0.970 0.000 . 1 . . . . . 118 ILE HG23 . 50957 1 1543 . 1 . 1 118 118 ILE HD11 H 1 0.808 0.000 . 1 . . . . . 118 ILE HD11 . 50957 1 1544 . 1 . 1 118 118 ILE HD12 H 1 0.808 0.000 . 1 . . . . . 118 ILE HD12 . 50957 1 1545 . 1 . 1 118 118 ILE HD13 H 1 0.808 0.000 . 1 . . . . . 118 ILE HD13 . 50957 1 1546 . 1 . 1 118 118 ILE C C 13 175.522 0.000 . 1 . . . . . 118 ILE C . 50957 1 1547 . 1 . 1 118 118 ILE CA C 13 60.025 0.053 . 1 . . . . . 118 ILE CA . 50957 1 1548 . 1 . 1 118 118 ILE CB C 13 38.130 0.020 . 1 . . . . . 118 ILE CB . 50957 1 1549 . 1 . 1 118 118 ILE CG1 C 13 28.176 0.001 . 1 . . . . . 118 ILE CG1 . 50957 1 1550 . 1 . 1 118 118 ILE CG2 C 13 17.312 0.002 . 1 . . . . . 118 ILE CG2 . 50957 1 1551 . 1 . 1 118 118 ILE CD1 C 13 12.616 0.004 . 1 . . . . . 118 ILE CD1 . 50957 1 1552 . 1 . 1 118 118 ILE N N 15 122.342 0.024 . 1 . . . . . 118 ILE N . 50957 1 1553 . 1 . 1 119 119 GLN H H 1 8.942 0.003 . 1 . . . . . 119 GLN H . 50957 1 1554 . 1 . 1 119 119 GLN HA H 1 4.299 0.000 . 1 . . . . . 119 GLN HA . 50957 1 1555 . 1 . 1 119 119 GLN HB2 H 1 2.423 0.001 . 2 . . . . . 119 GLN HB2 . 50957 1 1556 . 1 . 1 119 119 GLN HB3 H 1 2.021 0.001 . 2 . . . . . 119 GLN HB3 . 50957 1 1557 . 1 . 1 119 119 GLN HG2 H 1 2.516 0.000 . 1 . . . . . 119 GLN HG2 . 50957 1 1558 . 1 . 1 119 119 GLN HG3 H 1 2.516 0.000 . 1 . . . . . 119 GLN HG3 . 50957 1 1559 . 1 . 1 119 119 GLN HE21 H 1 6.825 0.000 . 1 . . . . . 119 GLN HE21 . 50957 1 1560 . 1 . 1 119 119 GLN HE22 H 1 7.504 0.000 . 1 . . . . . 119 GLN HE22 . 50957 1 1561 . 1 . 1 119 119 GLN C C 13 177.576 0.000 . 1 . . . . . 119 GLN C . 50957 1 1562 . 1 . 1 119 119 GLN CA C 13 56.350 0.042 . 1 . . . . . 119 GLN CA . 50957 1 1563 . 1 . 1 119 119 GLN CB C 13 29.585 0.044 . 1 . . . . . 119 GLN CB . 50957 1 1564 . 1 . 1 119 119 GLN CG C 13 35.050 0.001 . 1 . . . . . 119 GLN CG . 50957 1 1565 . 1 . 1 119 119 GLN N N 15 126.767 0.025 . 1 . . . . . 119 GLN N . 50957 1 1566 . 1 . 1 119 119 GLN NE2 N 15 112.156 0.001 . 1 . . . . . 119 GLN NE2 . 50957 1 1567 . 1 . 1 120 120 TYR H H 1 8.207 0.004 . 1 . . . . . 120 TYR H . 50957 1 1568 . 1 . 1 120 120 TYR HA H 1 4.197 0.000 . 1 . . . . . 120 TYR HA . 50957 1 1569 . 1 . 1 120 120 TYR HB2 H 1 3.014 0.000 . 2 . . . . . 120 TYR HB2 . 50957 1 1570 . 1 . 1 120 120 TYR HB3 H 1 3.148 0.000 . 2 . . . . . 120 TYR HB3 . 50957 1 1571 . 1 . 1 120 120 TYR HD1 H 1 6.815 0.000 . 1 . . . . . 120 TYR HD1 . 50957 1 1572 . 1 . 1 120 120 TYR HD2 H 1 6.815 0.000 . 1 . . . . . 120 TYR HD2 . 50957 1 1573 . 1 . 1 120 120 TYR HE1 H 1 6.666 0.000 . 1 . . . . . 120 TYR HE1 . 50957 1 1574 . 1 . 1 120 120 TYR HE2 H 1 6.666 0.000 . 1 . . . . . 120 TYR HE2 . 50957 1 1575 . 1 . 1 120 120 TYR C C 13 177.787 0.000 . 1 . . . . . 120 TYR C . 50957 1 1576 . 1 . 1 120 120 TYR CA C 13 57.554 0.005 . 1 . . . . . 120 TYR CA . 50957 1 1577 . 1 . 1 120 120 TYR CB C 13 36.790 0.023 . 1 . . . . . 120 TYR CB . 50957 1 1578 . 1 . 1 120 120 TYR CD1 C 13 130.079 0.000 . 1 . . . . . 120 TYR CD1 . 50957 1 1579 . 1 . 1 120 120 TYR CD2 C 13 130.079 0.000 . 1 . . . . . 120 TYR CD2 . 50957 1 1580 . 1 . 1 120 120 TYR CE1 C 13 118.282 0.000 . 1 . . . . . 120 TYR CE1 . 50957 1 1581 . 1 . 1 120 120 TYR CE2 C 13 118.282 0.000 . 1 . . . . . 120 TYR CE2 . 50957 1 1582 . 1 . 1 120 120 TYR N N 15 120.141 0.026 . 1 . . . . . 120 TYR N . 50957 1 1583 . 1 . 1 121 121 GLU H H 1 8.913 0.003 . 1 . . . . . 121 GLU H . 50957 1 1584 . 1 . 1 121 121 GLU HA H 1 3.869 0.000 . 1 . . . . . 121 GLU HA . 50957 1 1585 . 1 . 1 121 121 GLU HB2 H 1 1.790 0.000 . 1 . . . . . 121 GLU HB2 . 50957 1 1586 . 1 . 1 121 121 GLU HB3 H 1 1.790 0.000 . 1 . . . . . 121 GLU HB3 . 50957 1 1587 . 1 . 1 121 121 GLU HG2 H 1 2.134 0.000 . 1 . . . . . 121 GLU HG2 . 50957 1 1588 . 1 . 1 121 121 GLU HG3 H 1 2.134 0.000 . 1 . . . . . 121 GLU HG3 . 50957 1 1589 . 1 . 1 121 121 GLU C C 13 176.371 0.000 . 1 . . . . . 121 GLU C . 50957 1 1590 . 1 . 1 121 121 GLU CA C 13 58.031 0.048 . 1 . . . . . 121 GLU CA . 50957 1 1591 . 1 . 1 121 121 GLU CB C 13 28.542 0.049 . 1 . . . . . 121 GLU CB . 50957 1 1592 . 1 . 1 121 121 GLU CG C 13 35.713 0.001 . 1 . . . . . 121 GLU CG . 50957 1 1593 . 1 . 1 121 121 GLU N N 15 112.450 0.029 . 1 . . . . . 121 GLU N . 50957 1 1594 . 1 . 1 122 122 ASP H H 1 7.928 0.003 . 1 . . . . . 122 ASP H . 50957 1 1595 . 1 . 1 122 122 ASP HA H 1 4.608 0.000 . 1 . . . . . 122 ASP HA . 50957 1 1596 . 1 . 1 122 122 ASP HB2 H 1 2.888 0.000 . 2 . . . . . 122 ASP HB2 . 50957 1 1597 . 1 . 1 122 122 ASP HB3 H 1 3.019 0.000 . 2 . . . . . 122 ASP HB3 . 50957 1 1598 . 1 . 1 122 122 ASP C C 13 174.850 0.000 . 1 . . . . . 122 ASP C . 50957 1 1599 . 1 . 1 122 122 ASP CA C 13 54.448 0.028 . 1 . . . . . 122 ASP CA . 50957 1 1600 . 1 . 1 122 122 ASP CB C 13 41.804 0.024 . 1 . . . . . 122 ASP CB . 50957 1 1601 . 1 . 1 122 122 ASP N N 15 117.204 0.026 . 1 . . . . . 122 ASP N . 50957 1 1602 . 1 . 1 123 123 ILE H H 1 7.708 0.004 . 1 . . . . . 123 ILE H . 50957 1 1603 . 1 . 1 123 123 ILE HA H 1 5.517 0.000 . 1 . . . . . 123 ILE HA . 50957 1 1604 . 1 . 1 123 123 ILE HB H 1 1.508 0.000 . 1 . . . . . 123 ILE HB . 50957 1 1605 . 1 . 1 123 123 ILE HG12 H 1 1.104 0.000 . 2 . . . . . 123 ILE HG12 . 50957 1 1606 . 1 . 1 123 123 ILE HG13 H 1 1.440 0.000 . 2 . . . . . 123 ILE HG13 . 50957 1 1607 . 1 . 1 123 123 ILE HG21 H 1 0.928 0.001 . 1 . . . . . 123 ILE HG21 . 50957 1 1608 . 1 . 1 123 123 ILE HG22 H 1 0.928 0.001 . 1 . . . . . 123 ILE HG22 . 50957 1 1609 . 1 . 1 123 123 ILE HG23 H 1 0.928 0.001 . 1 . . . . . 123 ILE HG23 . 50957 1 1610 . 1 . 1 123 123 ILE HD11 H 1 0.570 0.001 . 1 . . . . . 123 ILE HD11 . 50957 1 1611 . 1 . 1 123 123 ILE HD12 H 1 0.570 0.001 . 1 . . . . . 123 ILE HD12 . 50957 1 1612 . 1 . 1 123 123 ILE HD13 H 1 0.570 0.001 . 1 . . . . . 123 ILE HD13 . 50957 1 1613 . 1 . 1 123 123 ILE C C 13 172.757 0.000 . 1 . . . . . 123 ILE C . 50957 1 1614 . 1 . 1 123 123 ILE CA C 13 59.156 0.008 . 1 . . . . . 123 ILE CA . 50957 1 1615 . 1 . 1 123 123 ILE CB C 13 44.344 0.017 . 1 . . . . . 123 ILE CB . 50957 1 1616 . 1 . 1 123 123 ILE CG1 C 13 24.435 0.003 . 1 . . . . . 123 ILE CG1 . 50957 1 1617 . 1 . 1 123 123 ILE CG2 C 13 20.459 0.003 . 1 . . . . . 123 ILE CG2 . 50957 1 1618 . 1 . 1 123 123 ILE CD1 C 13 14.782 0.000 . 1 . . . . . 123 ILE CD1 . 50957 1 1619 . 1 . 1 123 123 ILE N N 15 114.397 0.025 . 1 . . . . . 123 ILE N . 50957 1 1620 . 1 . 1 124 124 SER H H 1 7.690 0.005 . 1 . . . . . 124 SER H . 50957 1 1621 . 1 . 1 124 124 SER HA H 1 4.564 0.000 . 1 . . . . . 124 SER HA . 50957 1 1622 . 1 . 1 124 124 SER HB2 H 1 3.834 0.000 . 2 . . . . . 124 SER HB2 . 50957 1 1623 . 1 . 1 124 124 SER HB3 H 1 3.724 0.000 . 2 . . . . . 124 SER HB3 . 50957 1 1624 . 1 . 1 124 124 SER C C 13 173.525 0.000 . 1 . . . . . 124 SER C . 50957 1 1625 . 1 . 1 124 124 SER CA C 13 58.069 0.022 . 1 . . . . . 124 SER CA . 50957 1 1626 . 1 . 1 124 124 SER CB C 13 67.702 0.004 . 1 . . . . . 124 SER CB . 50957 1 1627 . 1 . 1 124 124 SER N N 15 104.517 0.031 . 1 . . . . . 124 SER N . 50957 1 1628 . 1 . 1 125 125 LYS H H 1 8.773 0.004 . 1 . . . . . 125 LYS H . 50957 1 1629 . 1 . 1 125 125 LYS HA H 1 4.168 0.000 . 1 . . . . . 125 LYS HA . 50957 1 1630 . 1 . 1 125 125 LYS HB2 H 1 1.668 0.000 . 2 . . . . . 125 LYS HB2 . 50957 1 1631 . 1 . 1 125 125 LYS HB3 H 1 1.548 0.000 . 2 . . . . . 125 LYS HB3 . 50957 1 1632 . 1 . 1 125 125 LYS HG2 H 1 1.385 0.001 . 2 . . . . . 125 LYS HG2 . 50957 1 1633 . 1 . 1 125 125 LYS HG3 H 1 1.668 0.000 . 2 . . . . . 125 LYS HG3 . 50957 1 1634 . 1 . 1 125 125 LYS HE2 H 1 3.014 0.000 . 1 . . . . . 125 LYS HE2 . 50957 1 1635 . 1 . 1 125 125 LYS HE3 H 1 3.014 0.000 . 1 . . . . . 125 LYS HE3 . 50957 1 1636 . 1 . 1 125 125 LYS C C 13 174.196 0.000 . 1 . . . . . 125 LYS C . 50957 1 1637 . 1 . 1 125 125 LYS CA C 13 58.001 0.029 . 1 . . . . . 125 LYS CA . 50957 1 1638 . 1 . 1 125 125 LYS CB C 13 34.682 0.064 . 1 . . . . . 125 LYS CB . 50957 1 1639 . 1 . 1 125 125 LYS CG C 13 25.511 0.003 . 1 . . . . . 125 LYS CG . 50957 1 1640 . 1 . 1 125 125 LYS CD C 13 30.287 0.000 . 1 . . . . . 125 LYS CD . 50957 1 1641 . 1 . 1 125 125 LYS CE C 13 42.421 0.002 . 1 . . . . . 125 LYS CE . 50957 1 1642 . 1 . 1 125 125 LYS N N 15 123.554 0.033 . 1 . . . . . 125 LYS N . 50957 1 1643 . 1 . 1 126 126 LEU H H 1 7.605 0.004 . 1 . . . . . 126 LEU H . 50957 1 1644 . 1 . 1 126 126 LEU HA H 1 4.628 0.000 . 1 . . . . . 126 LEU HA . 50957 1 1645 . 1 . 1 126 126 LEU HB2 H 1 1.696 0.000 . 2 . . . . . 126 LEU HB2 . 50957 1 1646 . 1 . 1 126 126 LEU HB3 H 1 1.259 0.000 . 2 . . . . . 126 LEU HB3 . 50957 1 1647 . 1 . 1 126 126 LEU HG H 1 1.688 0.000 . 1 . . . . . 126 LEU HG . 50957 1 1648 . 1 . 1 126 126 LEU HD11 H 1 0.956 0.000 . 2 . . . . . 126 LEU HD11 . 50957 1 1649 . 1 . 1 126 126 LEU HD12 H 1 0.956 0.000 . 2 . . . . . 126 LEU HD12 . 50957 1 1650 . 1 . 1 126 126 LEU HD13 H 1 0.956 0.000 . 2 . . . . . 126 LEU HD13 . 50957 1 1651 . 1 . 1 126 126 LEU HD21 H 1 0.881 0.001 . 2 . . . . . 126 LEU HD21 . 50957 1 1652 . 1 . 1 126 126 LEU HD22 H 1 0.881 0.001 . 2 . . . . . 126 LEU HD22 . 50957 1 1653 . 1 . 1 126 126 LEU HD23 H 1 0.881 0.001 . 2 . . . . . 126 LEU HD23 . 50957 1 1654 . 1 . 1 126 126 LEU C C 13 176.169 0.000 . 1 . . . . . 126 LEU C . 50957 1 1655 . 1 . 1 126 126 LEU CA C 13 54.954 0.069 . 1 . . . . . 126 LEU CA . 50957 1 1656 . 1 . 1 126 126 LEU CB C 13 44.382 0.026 . 1 . . . . . 126 LEU CB . 50957 1 1657 . 1 . 1 126 126 LEU CG C 13 27.515 0.001 . 1 . . . . . 126 LEU CG . 50957 1 1658 . 1 . 1 126 126 LEU CD1 C 13 25.240 0.001 . 2 . . . . . 126 LEU CD1 . 50957 1 1659 . 1 . 1 126 126 LEU CD2 C 13 25.577 0.001 . 2 . . . . . 126 LEU CD2 . 50957 1 1660 . 1 . 1 126 126 LEU N N 15 127.821 0.045 . 1 . . . . . 126 LEU N . 50957 1 1661 . 1 . 1 127 127 ALA H H 1 8.369 0.003 . 1 . . . . . 127 ALA H . 50957 1 1662 . 1 . 1 127 127 ALA HA H 1 3.953 0.000 . 1 . . . . . 127 ALA HA . 50957 1 1663 . 1 . 1 127 127 ALA HB1 H 1 1.263 0.000 . 1 . . . . . 127 ALA HB1 . 50957 1 1664 . 1 . 1 127 127 ALA HB2 H 1 1.263 0.000 . 1 . . . . . 127 ALA HB2 . 50957 1 1665 . 1 . 1 127 127 ALA HB3 H 1 1.263 0.000 . 1 . . . . . 127 ALA HB3 . 50957 1 1666 . 1 . 1 127 127 ALA CA C 13 54.618 0.026 . 1 . . . . . 127 ALA CA . 50957 1 1667 . 1 . 1 127 127 ALA CB C 13 19.556 0.006 . 1 . . . . . 127 ALA CB . 50957 1 1668 . 1 . 1 127 127 ALA N N 15 131.003 0.031 . 1 . . . . . 127 ALA N . 50957 1 stop_ save_