data_34825 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34825 _Entry.Title ; Solution NMR structure of D. melanogaster TotA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-06-09 _Entry.Accession_date 2023-06-09 _Entry.Last_release_date 2023-11-09 _Entry.Original_release_date 2023-11-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Abriata L. A. . . 34825 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TotA . 34825 Turandot . 34825 'UNKNOWN FUNCTION' . 34825 'antimicrobial peptide' . 34825 stress . 34825 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34825 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 34825 '15N chemical shifts' 108 34825 '1H chemical shifts' 358 34825 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-04-10 . original BMRB . 34825 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8PBV 'BMRB Entry Tracking System' 34825 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34825 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of D. melanogaster TotA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Abriata L. A. . . 34825 1 2 S. Rommelaere S. . . . 34825 1 3 B. Lemaitre B. . . . 34825 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34825 _Assembly.ID 1 _Assembly.Name 'Protein Turandot A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34825 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34825 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGYSDEDREADNLRIAEIIK NAQDDDSKINSTQELLDIYR RLYPSLTPEERESIDKFVNE HTDAIIIDGVPIQGGRKARI VGKIVSPGVKGLATGFFEEL GSKLAQLFAGENLYFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12989.512 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34825 1 2 . GLY . 34825 1 3 . TYR . 34825 1 4 . SER . 34825 1 5 . ASP . 34825 1 6 . GLU . 34825 1 7 . ASP . 34825 1 8 . ARG . 34825 1 9 . GLU . 34825 1 10 . ALA . 34825 1 11 . ASP . 34825 1 12 . ASN . 34825 1 13 . LEU . 34825 1 14 . ARG . 34825 1 15 . ILE . 34825 1 16 . ALA . 34825 1 17 . GLU . 34825 1 18 . ILE . 34825 1 19 . ILE . 34825 1 20 . LYS . 34825 1 21 . ASN . 34825 1 22 . ALA . 34825 1 23 . GLN . 34825 1 24 . ASP . 34825 1 25 . ASP . 34825 1 26 . ASP . 34825 1 27 . SER . 34825 1 28 . LYS . 34825 1 29 . ILE . 34825 1 30 . ASN . 34825 1 31 . SER . 34825 1 32 . THR . 34825 1 33 . GLN . 34825 1 34 . GLU . 34825 1 35 . LEU . 34825 1 36 . LEU . 34825 1 37 . ASP . 34825 1 38 . ILE . 34825 1 39 . TYR . 34825 1 40 . ARG . 34825 1 41 . ARG . 34825 1 42 . LEU . 34825 1 43 . TYR . 34825 1 44 . PRO . 34825 1 45 . SER . 34825 1 46 . LEU . 34825 1 47 . THR . 34825 1 48 . PRO . 34825 1 49 . GLU . 34825 1 50 . GLU . 34825 1 51 . ARG . 34825 1 52 . GLU . 34825 1 53 . SER . 34825 1 54 . ILE . 34825 1 55 . ASP . 34825 1 56 . LYS . 34825 1 57 . PHE . 34825 1 58 . VAL . 34825 1 59 . ASN . 34825 1 60 . GLU . 34825 1 61 . HIS . 34825 1 62 . THR . 34825 1 63 . ASP . 34825 1 64 . ALA . 34825 1 65 . ILE . 34825 1 66 . ILE . 34825 1 67 . ILE . 34825 1 68 . ASP . 34825 1 69 . GLY . 34825 1 70 . VAL . 34825 1 71 . PRO . 34825 1 72 . ILE . 34825 1 73 . GLN . 34825 1 74 . GLY . 34825 1 75 . GLY . 34825 1 76 . ARG . 34825 1 77 . LYS . 34825 1 78 . ALA . 34825 1 79 . ARG . 34825 1 80 . ILE . 34825 1 81 . VAL . 34825 1 82 . GLY . 34825 1 83 . LYS . 34825 1 84 . ILE . 34825 1 85 . VAL . 34825 1 86 . SER . 34825 1 87 . PRO . 34825 1 88 . GLY . 34825 1 89 . VAL . 34825 1 90 . LYS . 34825 1 91 . GLY . 34825 1 92 . LEU . 34825 1 93 . ALA . 34825 1 94 . THR . 34825 1 95 . GLY . 34825 1 96 . PHE . 34825 1 97 . PHE . 34825 1 98 . GLU . 34825 1 99 . GLU . 34825 1 100 . LEU . 34825 1 101 . GLY . 34825 1 102 . SER . 34825 1 103 . LYS . 34825 1 104 . LEU . 34825 1 105 . ALA . 34825 1 106 . GLN . 34825 1 107 . LEU . 34825 1 108 . PHE . 34825 1 109 . ALA . 34825 1 110 . GLY . 34825 1 111 . GLU . 34825 1 112 . ASN . 34825 1 113 . LEU . 34825 1 114 . TYR . 34825 1 115 . PHE . 34825 1 116 . GLN . 34825 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 . MET 1 1 34825 1 . GLY 2 2 34825 1 . TYR 3 3 34825 1 . SER 4 4 34825 1 . ASP 5 5 34825 1 . GLU 6 6 34825 1 . ASP 7 7 34825 1 . ARG 8 8 34825 1 . GLU 9 9 34825 1 . ALA 10 10 34825 1 . ASP 11 11 34825 1 . ASN 12 12 34825 1 . LEU 13 13 34825 1 . ARG 14 14 34825 1 . ILE 15 15 34825 1 . ALA 16 16 34825 1 . GLU 17 17 34825 1 . ILE 18 18 34825 1 . ILE 19 19 34825 1 . LYS 20 20 34825 1 . ASN 21 21 34825 1 . ALA 22 22 34825 1 . GLN 23 23 34825 1 . ASP 24 24 34825 1 . ASP 25 25 34825 1 . ASP 26 26 34825 1 . SER 27 27 34825 1 . LYS 28 28 34825 1 . ILE 29 29 34825 1 . ASN 30 30 34825 1 . SER 31 31 34825 1 . THR 32 32 34825 1 . GLN 33 33 34825 1 . GLU 34 34 34825 1 . LEU 35 35 34825 1 . LEU 36 36 34825 1 . ASP 37 37 34825 1 . ILE 38 38 34825 1 . TYR 39 39 34825 1 . ARG 40 40 34825 1 . ARG 41 41 34825 1 . LEU 42 42 34825 1 . TYR 43 43 34825 1 . PRO 44 44 34825 1 . SER 45 45 34825 1 . LEU 46 46 34825 1 . THR 47 47 34825 1 . PRO 48 48 34825 1 . GLU 49 49 34825 1 . GLU 50 50 34825 1 . ARG 51 51 34825 1 . GLU 52 52 34825 1 . SER 53 53 34825 1 . ILE 54 54 34825 1 . ASP 55 55 34825 1 . LYS 56 56 34825 1 . PHE 57 57 34825 1 . VAL 58 58 34825 1 . ASN 59 59 34825 1 . GLU 60 60 34825 1 . HIS 61 61 34825 1 . THR 62 62 34825 1 . ASP 63 63 34825 1 . ALA 64 64 34825 1 . ILE 65 65 34825 1 . ILE 66 66 34825 1 . ILE 67 67 34825 1 . ASP 68 68 34825 1 . GLY 69 69 34825 1 . VAL 70 70 34825 1 . PRO 71 71 34825 1 . ILE 72 72 34825 1 . GLN 73 73 34825 1 . GLY 74 74 34825 1 . GLY 75 75 34825 1 . ARG 76 76 34825 1 . LYS 77 77 34825 1 . ALA 78 78 34825 1 . ARG 79 79 34825 1 . ILE 80 80 34825 1 . VAL 81 81 34825 1 . GLY 82 82 34825 1 . LYS 83 83 34825 1 . ILE 84 84 34825 1 . VAL 85 85 34825 1 . SER 86 86 34825 1 . PRO 87 87 34825 1 . GLY 88 88 34825 1 . VAL 89 89 34825 1 . LYS 90 90 34825 1 . GLY 91 91 34825 1 . LEU 92 92 34825 1 . ALA 93 93 34825 1 . THR 94 94 34825 1 . GLY 95 95 34825 1 . PHE 96 96 34825 1 . PHE 97 97 34825 1 . GLU 98 98 34825 1 . GLU 99 99 34825 1 . LEU 100 100 34825 1 . GLY 101 101 34825 1 . SER 102 102 34825 1 . LYS 103 103 34825 1 . LEU 104 104 34825 1 . ALA 105 105 34825 1 . GLN 106 106 34825 1 . LEU 107 107 34825 1 . PHE 108 108 34825 1 . ALA 109 109 34825 1 . GLY 110 110 34825 1 . GLU 111 111 34825 1 . ASN 112 112 34825 1 . LEU 113 113 34825 1 . TYR 114 114 34825 1 . PHE 115 115 34825 1 . GLN 116 116 34825 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34825 _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 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'TotA, CG31509' . 34825 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34825 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34825 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34825 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-15N] D. melanogaster TotA, 20 mM Mes pH 6, 100 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'D. melanogaster TotA' [U-15N] . . 1 $entity_1 . . 0.9 . . mM . . . . 34825 1 2 'Mes pH 6' 'natural abundance' . . . . . . 20 . . mM . . . . 34825 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34825 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34825 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-13C; U-15N] D. melanogaster TotA, 20 mM Mes pH 6, 100 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'D. melanogaster TotA' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 34825 2 2 'Mes pH 6' 'natural abundance' . . . . . . 20 . . mM . . . . 34825 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34825 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34825 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM D. melanogaster TotA, 20 mM Mes pH 6, 100 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'D. melanogaster TotA' 'natural abundance' . . 1 $entity_1 . . 0.9 . . mM . . . . 34825 3 2 'Mes pH 6' 'natural abundance' . . . . . . 20 . . mM . . . . 34825 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34825 3 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 34825 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34825 1 pH 6 . pH 34825 1 pressure 1 . atm 34825 1 temperature 298 . K 34825 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34825 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34825 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34825 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34825 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34825 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34825 2 'structure calculation' . 34825 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34825 _Software.ID 3 _Software.Type . _Software.Name UNIO _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann' . . 34825 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34825 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34825 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34825 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34825 4 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 34825 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34825 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 800 . . . 34825 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34825 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 6 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 8 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 11 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34825 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 34825 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34825 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34825 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34825 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 34825 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34825 1 2 '2D 1H-1H NOESY' . . . 34825 1 3 '2D 1H-1H TOCSY' . . . 34825 1 4 '3D 1H-15N TOCSY' . . . 34825 1 5 '3D 1H-15N NOESY' . . . 34825 1 6 '3D HNCA' . . . 34825 1 7 '3D HN(CO)CA' . . . 34825 1 8 '3D HNCO' . . . 34825 1 9 '3D HNHA' . . . 34825 1 10 '3D CBCA(CO)NH' . . . 34825 1 11 '3D HNCACB' . . . 34825 1 12 '3D 1H-13C NOESY' . . . 34825 1 13 '3D HCCH-TOCSY' . . . 34825 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY H H 1 8.695 0.020 . . . . . . A 2 GLY H . 34825 1 2 . 1 . 1 2 2 GLY HA2 H 1 3.903 0.020 . . . . . . A 2 GLY HA2 . 34825 1 3 . 1 . 1 2 2 GLY C C 13 169.943 0.300 . . . . . . A 2 GLY C . 34825 1 4 . 1 . 1 2 2 GLY CA C 13 42.435 0.300 . . . . . . A 2 GLY CA . 34825 1 5 . 1 . 1 2 2 GLY N N 15 112.118 0.300 . . . . . . A 2 GLY N . 34825 1 6 . 1 . 1 3 3 TYR H H 1 8.258 0.020 . . . . . . A 3 TYR H . 34825 1 7 . 1 . 1 3 3 TYR HA H 1 4.791 0.020 . . . . . . A 3 TYR HA . 34825 1 8 . 1 . 1 3 3 TYR HB2 H 1 2.911 0.020 . . . . . . A 3 TYR HB2 . 34825 1 9 . 1 . 1 3 3 TYR C C 13 172.700 0.300 . . . . . . A 3 TYR C . 34825 1 10 . 1 . 1 3 3 TYR CA C 13 54.424 0.300 . . . . . . A 3 TYR CA . 34825 1 11 . 1 . 1 3 3 TYR CB C 13 36.233 0.300 . . . . . . A 3 TYR CB . 34825 1 12 . 1 . 1 3 3 TYR N N 15 123.861 0.300 . . . . . . A 3 TYR N . 34825 1 13 . 1 . 1 4 4 SER H H 1 9.033 0.020 . . . . . . A 4 SER H . 34825 1 14 . 1 . 1 4 4 SER HA H 1 4.447 0.020 . . . . . . A 4 SER HA . 34825 1 15 . 1 . 1 4 4 SER C C 13 171.699 0.300 . . . . . . A 4 SER C . 34825 1 16 . 1 . 1 4 4 SER CA C 13 54.948 0.300 . . . . . . A 4 SER CA . 34825 1 17 . 1 . 1 4 4 SER CB C 13 63.093 0.300 . . . . . . A 4 SER CB . 34825 1 18 . 1 . 1 4 4 SER N N 15 123.958 0.300 . . . . . . A 4 SER N . 34825 1 19 . 1 . 1 5 5 ASP H H 1 8.693 0.020 . . . . . . A 5 ASP H . 34825 1 20 . 1 . 1 5 5 ASP HA H 1 4.203 0.020 . . . . . . A 5 ASP HA . 34825 1 21 . 1 . 1 5 5 ASP HB2 H 1 2.552 0.020 . . . . . . A 5 ASP HB2 . 34825 1 22 . 1 . 1 5 5 ASP C C 13 175.540 0.300 . . . . . . A 5 ASP C . 34825 1 23 . 1 . 1 5 5 ASP CA C 13 54.614 0.300 . . . . . . A 5 ASP CA . 34825 1 24 . 1 . 1 5 5 ASP CB C 13 37.407 0.300 . . . . . . A 5 ASP CB . 34825 1 25 . 1 . 1 5 5 ASP N N 15 120.764 0.300 . . . . . . A 5 ASP N . 34825 1 26 . 1 . 1 6 6 GLU H H 1 8.414 0.020 . . . . . . A 6 GLU H . 34825 1 27 . 1 . 1 6 6 GLU HA H 1 3.930 0.020 . . . . . . A 6 GLU HA . 34825 1 28 . 1 . 1 6 6 GLU HB2 H 1 1.863 0.020 . . . . . . A 6 GLU HB2 . 34825 1 29 . 1 . 1 6 6 GLU HG2 H 1 2.204 0.020 . . . . . . A 6 GLU HG2 . 34825 1 30 . 1 . 1 6 6 GLU C C 13 176.097 0.300 . . . . . . A 6 GLU C . 34825 1 31 . 1 . 1 6 6 GLU CA C 13 56.740 0.300 . . . . . . A 6 GLU CA . 34825 1 32 . 1 . 1 6 6 GLU CB C 13 26.135 0.300 . . . . . . A 6 GLU CB . 34825 1 33 . 1 . 1 6 6 GLU N N 15 119.872 0.300 . . . . . . A 6 GLU N . 34825 1 34 . 1 . 1 7 7 ASP H H 1 7.689 0.020 . . . . . . A 7 ASP H . 34825 1 35 . 1 . 1 7 7 ASP HA H 1 4.174 0.020 . . . . . . A 7 ASP HA . 34825 1 36 . 1 . 1 7 7 ASP HB2 H 1 2.394 0.020 . . . . . . A 7 ASP HB2 . 34825 1 37 . 1 . 1 7 7 ASP C C 13 174.686 0.300 . . . . . . A 7 ASP C . 34825 1 38 . 1 . 1 7 7 ASP CA C 13 54.060 0.300 . . . . . . A 7 ASP CA . 34825 1 39 . 1 . 1 7 7 ASP CB C 13 37.752 0.300 . . . . . . A 7 ASP CB . 34825 1 40 . 1 . 1 7 7 ASP N N 15 123.037 0.300 . . . . . . A 7 ASP N . 34825 1 41 . 1 . 1 8 8 ARG H H 1 7.845 0.020 . . . . . . A 8 ARG H . 34825 1 42 . 1 . 1 8 8 ARG HA H 1 4.219 0.020 . . . . . . A 8 ARG HA . 34825 1 43 . 1 . 1 8 8 ARG C C 13 175.651 0.300 . . . . . . A 8 ARG C . 34825 1 44 . 1 . 1 8 8 ARG CA C 13 56.168 0.300 . . . . . . A 8 ARG CA . 34825 1 45 . 1 . 1 8 8 ARG CB C 13 27.585 0.300 . . . . . . A 8 ARG CB . 34825 1 46 . 1 . 1 8 8 ARG N N 15 121.715 0.300 . . . . . . A 8 ARG N . 34825 1 47 . 1 . 1 9 9 GLU H H 1 7.906 0.020 . . . . . . A 9 GLU H . 34825 1 48 . 1 . 1 9 9 GLU HA H 1 4.036 0.020 . . . . . . A 9 GLU HA . 34825 1 49 . 1 . 1 9 9 GLU HB2 H 1 1.962 0.020 . . . . . . A 9 GLU HB2 . 34825 1 50 . 1 . 1 9 9 GLU HG2 H 1 2.274 0.020 . . . . . . A 9 GLU HG2 . 34825 1 51 . 1 . 1 9 9 GLU C C 13 175.954 0.300 . . . . . . A 9 GLU C . 34825 1 52 . 1 . 1 9 9 GLU CA C 13 55.895 0.300 . . . . . . A 9 GLU CA . 34825 1 53 . 1 . 1 9 9 GLU CB C 13 25.997 0.300 . . . . . . A 9 GLU CB . 34825 1 54 . 1 . 1 9 9 GLU N N 15 118.446 0.300 . . . . . . A 9 GLU N . 34825 1 55 . 1 . 1 10 10 ALA H H 1 7.765 0.020 . . . . . . A 10 ALA H . 34825 1 56 . 1 . 1 10 10 ALA HA H 1 3.975 0.020 . . . . . . A 10 ALA HA . 34825 1 57 . 1 . 1 10 10 ALA HB1 H 1 1.418 0.020 . . . . . . A 10 ALA HB1 . 34825 1 58 . 1 . 1 10 10 ALA HB2 H 1 1.418 0.020 . . . . . . A 10 ALA HB2 . 34825 1 59 . 1 . 1 10 10 ALA HB3 H 1 1.418 0.020 . . . . . . A 10 ALA HB3 . 34825 1 60 . 1 . 1 10 10 ALA C C 13 178.357 0.300 . . . . . . A 10 ALA C . 34825 1 61 . 1 . 1 10 10 ALA CA C 13 52.201 0.300 . . . . . . A 10 ALA CA . 34825 1 62 . 1 . 1 10 10 ALA CB C 13 14.880 0.300 . . . . . . A 10 ALA CB . 34825 1 63 . 1 . 1 10 10 ALA N N 15 121.455 0.300 . . . . . . A 10 ALA N . 34825 1 64 . 1 . 1 11 11 ASP H H 1 8.170 0.020 . . . . . . A 11 ASP H . 34825 1 65 . 1 . 1 11 11 ASP HA H 1 4.418 0.020 . . . . . . A 11 ASP HA . 34825 1 66 . 1 . 1 11 11 ASP HB2 H 1 2.922 0.020 . . . . . . A 11 ASP HB2 . 34825 1 67 . 1 . 1 11 11 ASP C C 13 174.465 0.300 . . . . . . A 11 ASP C . 34825 1 68 . 1 . 1 11 11 ASP CA C 13 54.722 0.300 . . . . . . A 11 ASP CA . 34825 1 69 . 1 . 1 11 11 ASP CB C 13 37.114 0.300 . . . . . . A 11 ASP CB . 34825 1 70 . 1 . 1 11 11 ASP N N 15 121.070 0.300 . . . . . . A 11 ASP N . 34825 1 71 . 1 . 1 12 12 ASN H H 1 8.017 0.020 . . . . . . A 12 ASN H . 34825 1 72 . 1 . 1 12 12 ASN HA H 1 3.499 0.020 . . . . . . A 12 ASN HA . 34825 1 73 . 1 . 1 12 12 ASN C C 13 175.200 0.300 . . . . . . A 12 ASN C . 34825 1 74 . 1 . 1 12 12 ASN CA C 13 53.465 0.300 . . . . . . A 12 ASN CA . 34825 1 75 . 1 . 1 12 12 ASN CB C 13 35.871 0.300 . . . . . . A 12 ASN CB . 34825 1 76 . 1 . 1 12 12 ASN N N 15 119.462 0.300 . . . . . . A 12 ASN N . 34825 1 77 . 1 . 1 13 13 LEU H H 1 7.665 0.020 . . . . . . A 13 LEU H . 34825 1 78 . 1 . 1 13 13 LEU HA H 1 3.873 0.020 . . . . . . A 13 LEU HA . 34825 1 79 . 1 . 1 13 13 LEU C C 13 176.905 0.300 . . . . . . A 13 LEU C . 34825 1 80 . 1 . 1 13 13 LEU CA C 13 54.821 0.300 . . . . . . A 13 LEU CA . 34825 1 81 . 1 . 1 13 13 LEU CB C 13 38.719 0.300 . . . . . . A 13 LEU CB . 34825 1 82 . 1 . 1 13 13 LEU N N 15 118.290 0.300 . . . . . . A 13 LEU N . 34825 1 83 . 1 . 1 14 14 ARG H H 1 8.041 0.020 . . . . . . A 14 ARG H . 34825 1 84 . 1 . 1 14 14 ARG HA H 1 4.163 0.020 . . . . . . A 14 ARG HA . 34825 1 85 . 1 . 1 14 14 ARG C C 13 175.586 0.300 . . . . . . A 14 ARG C . 34825 1 86 . 1 . 1 14 14 ARG CA C 13 55.040 0.300 . . . . . . A 14 ARG CA . 34825 1 87 . 1 . 1 14 14 ARG CB C 13 26.619 0.300 . . . . . . A 14 ARG CB . 34825 1 88 . 1 . 1 14 14 ARG N N 15 120.689 0.300 . . . . . . A 14 ARG N . 34825 1 89 . 1 . 1 15 15 ILE H H 1 8.290 0.020 . . . . . . A 15 ILE H . 34825 1 90 . 1 . 1 15 15 ILE HA H 1 3.306 0.020 . . . . . . A 15 ILE HA . 34825 1 91 . 1 . 1 15 15 ILE C C 13 174.029 0.300 . . . . . . A 15 ILE C . 34825 1 92 . 1 . 1 15 15 ILE CA C 13 63.028 0.300 . . . . . . A 15 ILE CA . 34825 1 93 . 1 . 1 15 15 ILE CB C 13 34.836 0.300 . . . . . . A 15 ILE CB . 34825 1 94 . 1 . 1 15 15 ILE N N 15 119.554 0.300 . . . . . . A 15 ILE N . 34825 1 95 . 1 . 1 16 16 ALA H H 1 7.049 0.020 . . . . . . A 16 ALA H . 34825 1 96 . 1 . 1 16 16 ALA HA H 1 3.887 0.020 . . . . . . A 16 ALA HA . 34825 1 97 . 1 . 1 16 16 ALA HB1 H 1 1.383 0.020 . . . . . . A 16 ALA HB1 . 34825 1 98 . 1 . 1 16 16 ALA HB2 H 1 1.383 0.020 . . . . . . A 16 ALA HB2 . 34825 1 99 . 1 . 1 16 16 ALA HB3 H 1 1.383 0.020 . . . . . . A 16 ALA HB3 . 34825 1 100 . 1 . 1 16 16 ALA C C 13 177.856 0.300 . . . . . . A 16 ALA C . 34825 1 101 . 1 . 1 16 16 ALA CA C 13 52.269 0.300 . . . . . . A 16 ALA CA . 34825 1 102 . 1 . 1 16 16 ALA CB C 13 15.087 0.300 . . . . . . A 16 ALA CB . 34825 1 103 . 1 . 1 16 16 ALA N N 15 118.567 0.300 . . . . . . A 16 ALA N . 34825 1 104 . 1 . 1 17 17 GLU H H 1 7.856 0.020 . . . . . . A 17 GLU H . 34825 1 105 . 1 . 1 17 17 GLU HA H 1 3.858 0.020 . . . . . . A 17 GLU HA . 34825 1 106 . 1 . 1 17 17 GLU HG2 H 1 2.159 0.020 . . . . . . A 17 GLU HG2 . 34825 1 107 . 1 . 1 17 17 GLU C C 13 175.582 0.300 . . . . . . A 17 GLU C . 34825 1 108 . 1 . 1 17 17 GLU CA C 13 56.475 0.300 . . . . . . A 17 GLU CA . 34825 1 109 . 1 . 1 17 17 GLU CB C 13 27.464 0.300 . . . . . . A 17 GLU CB . 34825 1 110 . 1 . 1 17 17 GLU N N 15 119.556 0.300 . . . . . . A 17 GLU N . 34825 1 111 . 1 . 1 18 18 ILE H H 1 8.680 0.020 . . . . . . A 18 ILE H . 34825 1 112 . 1 . 1 18 18 ILE HA H 1 3.700 0.020 . . . . . . A 18 ILE HA . 34825 1 113 . 1 . 1 18 18 ILE C C 13 176.354 0.300 . . . . . . A 18 ILE C . 34825 1 114 . 1 . 1 18 18 ILE CA C 13 62.562 0.300 . . . . . . A 18 ILE CA . 34825 1 115 . 1 . 1 18 18 ILE CB C 13 35.405 0.300 . . . . . . A 18 ILE CB . 34825 1 116 . 1 . 1 18 18 ILE N N 15 121.029 0.300 . . . . . . A 18 ILE N . 34825 1 117 . 1 . 1 19 19 ILE H H 1 8.077 0.020 . . . . . . A 19 ILE H . 34825 1 118 . 1 . 1 19 19 ILE HA H 1 3.729 0.020 . . . . . . A 19 ILE HA . 34825 1 119 . 1 . 1 19 19 ILE C C 13 176.230 0.300 . . . . . . A 19 ILE C . 34825 1 120 . 1 . 1 19 19 ILE CA C 13 62.870 0.300 . . . . . . A 19 ILE CA . 34825 1 121 . 1 . 1 19 19 ILE CB C 13 35.664 0.300 . . . . . . A 19 ILE CB . 34825 1 122 . 1 . 1 19 19 ILE N N 15 118.176 0.300 . . . . . . A 19 ILE N . 34825 1 123 . 1 . 1 20 20 LYS H H 1 7.946 0.020 . . . . . . A 20 LYS H . 34825 1 124 . 1 . 1 20 20 LYS HA H 1 3.887 0.020 . . . . . . A 20 LYS HA . 34825 1 125 . 1 . 1 20 20 LYS C C 13 175.835 0.300 . . . . . . A 20 LYS C . 34825 1 126 . 1 . 1 20 20 LYS CA C 13 56.442 0.300 . . . . . . A 20 LYS CA . 34825 1 127 . 1 . 1 20 20 LYS CB C 13 29.535 0.300 . . . . . . A 20 LYS CB . 34825 1 128 . 1 . 1 20 20 LYS N N 15 119.625 0.300 . . . . . . A 20 LYS N . 34825 1 129 . 1 . 1 21 21 ASN H H 1 7.961 0.020 . . . . . . A 21 ASN H . 34825 1 130 . 1 . 1 21 21 ASN HA H 1 4.552 0.020 . . . . . . A 21 ASN HA . 34825 1 131 . 1 . 1 21 21 ASN HB2 H 1 2.748 0.020 . . . . . . A 21 ASN HB2 . 34825 1 132 . 1 . 1 21 21 ASN C C 13 173.197 0.300 . . . . . . A 21 ASN C . 34825 1 133 . 1 . 1 21 21 ASN CA C 13 51.475 0.300 . . . . . . A 21 ASN CA . 34825 1 134 . 1 . 1 21 21 ASN CB C 13 36.233 0.300 . . . . . . A 21 ASN CB . 34825 1 135 . 1 . 1 21 21 ASN N N 15 114.290 0.300 . . . . . . A 21 ASN N . 34825 1 136 . 1 . 1 22 22 ALA H H 1 7.564 0.020 . . . . . . A 22 ALA H . 34825 1 137 . 1 . 1 22 22 ALA HA H 1 4.429 0.020 . . . . . . A 22 ALA HA . 34825 1 138 . 1 . 1 22 22 ALA HB1 H 1 0.998 0.020 . . . . . . A 22 ALA HB1 . 34825 1 139 . 1 . 1 22 22 ALA HB2 H 1 0.998 0.020 . . . . . . A 22 ALA HB2 . 34825 1 140 . 1 . 1 22 22 ALA HB3 H 1 0.998 0.020 . . . . . . A 22 ALA HB3 . 34825 1 141 . 1 . 1 22 22 ALA C C 13 173.045 0.300 . . . . . . A 22 ALA C . 34825 1 142 . 1 . 1 22 22 ALA CA C 13 48.609 0.300 . . . . . . A 22 ALA CA . 34825 1 143 . 1 . 1 22 22 ALA CB C 13 14.137 0.300 . . . . . . A 22 ALA CB . 34825 1 144 . 1 . 1 22 22 ALA N N 15 124.798 0.300 . . . . . . A 22 ALA N . 34825 1 145 . 1 . 1 26 26 ASP H H 1 8.183 0.020 . . . . . . A 26 ASP H . 34825 1 146 . 1 . 1 26 26 ASP HA H 1 4.173 0.020 . . . . . . A 26 ASP HA . 34825 1 147 . 1 . 1 26 26 ASP HB2 H 1 2.505 0.020 . . . . . . A 26 ASP HB2 . 34825 1 148 . 1 . 1 26 26 ASP C C 13 175.697 0.300 . . . . . . A 26 ASP C . 34825 1 149 . 1 . 1 26 26 ASP CA C 13 54.722 0.300 . . . . . . A 26 ASP CA . 34825 1 150 . 1 . 1 26 26 ASP CB C 13 37.045 0.300 . . . . . . A 26 ASP CB . 34825 1 151 . 1 . 1 26 26 ASP N N 15 118.219 0.300 . . . . . . A 26 ASP N . 34825 1 152 . 1 . 1 27 27 SER H H 1 8.248 0.020 . . . . . . A 27 SER H . 34825 1 153 . 1 . 1 27 27 SER HA H 1 4.073 0.020 . . . . . . A 27 SER HA . 34825 1 154 . 1 . 1 27 27 SER HB2 H 1 3.713 0.020 . . . . . . A 27 SER HB2 . 34825 1 155 . 1 . 1 27 27 SER C C 13 174.332 0.300 . . . . . . A 27 SER C . 34825 1 156 . 1 . 1 27 27 SER CA C 13 58.956 0.300 . . . . . . A 27 SER CA . 34825 1 157 . 1 . 1 27 27 SER CB C 13 59.969 0.300 . . . . . . A 27 SER CB . 34825 1 158 . 1 . 1 27 27 SER N N 15 115.867 0.300 . . . . . . A 27 SER N . 34825 1 159 . 1 . 1 28 28 LYS H H 1 7.494 0.020 . . . . . . A 28 LYS H . 34825 1 160 . 1 . 1 28 28 LYS HA H 1 4.676 0.020 . . . . . . A 28 LYS HA . 34825 1 161 . 1 . 1 28 28 LYS C C 13 174.925 0.300 . . . . . . A 28 LYS C . 34825 1 162 . 1 . 1 28 28 LYS CA C 13 56.674 0.300 . . . . . . A 28 LYS CA . 34825 1 163 . 1 . 1 28 28 LYS CB C 13 35.043 0.300 . . . . . . A 28 LYS CB . 34825 1 164 . 1 . 1 28 28 LYS N N 15 123.118 0.300 . . . . . . A 28 LYS N . 34825 1 165 . 1 . 1 29 29 ILE H H 1 7.815 0.020 . . . . . . A 29 ILE H . 34825 1 166 . 1 . 1 29 29 ILE HA H 1 3.411 0.020 . . . . . . A 29 ILE HA . 34825 1 167 . 1 . 1 29 29 ILE C C 13 177.539 0.300 . . . . . . A 29 ILE C . 34825 1 168 . 1 . 1 29 29 ILE CA C 13 63.290 0.300 . . . . . . A 29 ILE CA . 34825 1 169 . 1 . 1 29 29 ILE CB C 13 35.043 0.300 . . . . . . A 29 ILE CB . 34825 1 170 . 1 . 1 29 29 ILE N N 15 119.376 0.300 . . . . . . A 29 ILE N . 34825 1 171 . 1 . 1 30 30 ASN H H 1 8.514 0.020 . . . . . . A 30 ASN H . 34825 1 172 . 1 . 1 30 30 ASN HA H 1 4.465 0.020 . . . . . . A 30 ASN HA . 34825 1 173 . 1 . 1 30 30 ASN HB2 H 1 2.778 0.020 . . . . . . A 30 ASN HB2 . 34825 1 174 . 1 . 1 30 30 ASN C C 13 174.203 0.300 . . . . . . A 30 ASN C . 34825 1 175 . 1 . 1 30 30 ASN CA C 13 52.966 0.300 . . . . . . A 30 ASN CA . 34825 1 176 . 1 . 1 30 30 ASN CB C 13 35.319 0.300 . . . . . . A 30 ASN CB . 34825 1 177 . 1 . 1 30 30 ASN N N 15 117.353 0.300 . . . . . . A 30 ASN N . 34825 1 178 . 1 . 1 31 31 SER H H 1 7.598 0.020 . . . . . . A 31 SER H . 34825 1 179 . 1 . 1 31 31 SER HA H 1 4.696 0.020 . . . . . . A 31 SER HA . 34825 1 180 . 1 . 1 31 31 SER HB2 H 1 4.072 0.020 . . . . . . A 31 SER HB2 . 34825 1 181 . 1 . 1 31 31 SER HB3 H 1 3.684 0.020 . . . . . . A 31 SER HB3 . 34825 1 182 . 1 . 1 31 31 SER C C 13 170.839 0.300 . . . . . . A 31 SER C . 34825 1 183 . 1 . 1 31 31 SER CA C 13 57.424 0.300 . . . . . . A 31 SER CA . 34825 1 184 . 1 . 1 31 31 SER CB C 13 61.834 0.300 . . . . . . A 31 SER CB . 34825 1 185 . 1 . 1 31 31 SER N N 15 115.281 0.300 . . . . . . A 31 SER N . 34825 1 186 . 1 . 1 32 32 THR H H 1 7.573 0.020 . . . . . . A 32 THR H . 34825 1 187 . 1 . 1 32 32 THR HA H 1 4.340 0.020 . . . . . . A 32 THR HA . 34825 1 188 . 1 . 1 32 32 THR HB H 1 3.862 0.020 . . . . . . A 32 THR HB . 34825 1 189 . 1 . 1 32 32 THR C C 13 172.940 0.300 . . . . . . A 32 THR C . 34825 1 190 . 1 . 1 32 32 THR CA C 13 65.523 0.300 . . . . . . A 32 THR CA . 34825 1 191 . 1 . 1 32 32 THR N N 15 117.579 0.300 . . . . . . A 32 THR N . 34825 1 192 . 1 . 1 33 33 GLN H H 1 9.152 0.020 . . . . . . A 33 GLN H . 34825 1 193 . 1 . 1 33 33 GLN HA H 1 3.698 0.020 . . . . . . A 33 GLN HA . 34825 1 194 . 1 . 1 33 33 GLN C C 13 174.194 0.300 . . . . . . A 33 GLN C . 34825 1 195 . 1 . 1 33 33 GLN CA C 13 55.959 0.300 . . . . . . A 33 GLN CA . 34825 1 196 . 1 . 1 33 33 GLN CB C 13 25.100 0.300 . . . . . . A 33 GLN CB . 34825 1 197 . 1 . 1 33 33 GLN N N 15 121.148 0.300 . . . . . . A 33 GLN N . 34825 1 198 . 1 . 1 34 34 GLU H H 1 8.124 0.020 . . . . . . A 34 GLU H . 34825 1 199 . 1 . 1 34 34 GLU HA H 1 4.038 0.020 . . . . . . A 34 GLU HA . 34825 1 200 . 1 . 1 34 34 GLU C C 13 176.726 0.300 . . . . . . A 34 GLU C . 34825 1 201 . 1 . 1 34 34 GLU CA C 13 57.303 0.300 . . . . . . A 34 GLU CA . 34825 1 202 . 1 . 1 34 34 GLU CB C 13 25.945 0.300 . . . . . . A 34 GLU CB . 34825 1 203 . 1 . 1 34 34 GLU N N 15 118.934 0.300 . . . . . . A 34 GLU N . 34825 1 204 . 1 . 1 35 35 LEU H H 1 7.180 0.020 . . . . . . A 35 LEU H . 34825 1 205 . 1 . 1 35 35 LEU HA H 1 3.953 0.020 . . . . . . A 35 LEU HA . 34825 1 206 . 1 . 1 35 35 LEU C C 13 176.381 0.300 . . . . . . A 35 LEU C . 34825 1 207 . 1 . 1 35 35 LEU CA C 13 55.423 0.300 . . . . . . A 35 LEU CA . 34825 1 208 . 1 . 1 35 35 LEU CB C 13 38.788 0.300 . . . . . . A 35 LEU CB . 34825 1 209 . 1 . 1 35 35 LEU N N 15 115.276 0.300 . . . . . . A 35 LEU N . 34825 1 210 . 1 . 1 36 36 LEU H H 1 7.838 0.020 . . . . . . A 36 LEU H . 34825 1 211 . 1 . 1 36 36 LEU HA H 1 4.085 0.020 . . . . . . A 36 LEU HA . 34825 1 212 . 1 . 1 36 36 LEU C C 13 177.663 0.300 . . . . . . A 36 LEU C . 34825 1 213 . 1 . 1 36 36 LEU CA C 13 54.656 0.300 . . . . . . A 36 LEU CA . 34825 1 214 . 1 . 1 36 36 LEU CB C 13 37.459 0.300 . . . . . . A 36 LEU CB . 34825 1 215 . 1 . 1 36 36 LEU N N 15 118.432 0.300 . . . . . . A 36 LEU N . 34825 1 216 . 1 . 1 37 37 ASP H H 1 9.115 0.020 . . . . . . A 37 ASP H . 34825 1 217 . 1 . 1 37 37 ASP HA H 1 4.363 0.020 . . . . . . A 37 ASP HA . 34825 1 218 . 1 . 1 37 37 ASP C C 13 176.368 0.300 . . . . . . A 37 ASP C . 34825 1 219 . 1 . 1 37 37 ASP CA C 13 54.859 0.300 . . . . . . A 37 ASP CA . 34825 1 220 . 1 . 1 37 37 ASP CB C 13 36.700 0.300 . . . . . . A 37 ASP CB . 34825 1 221 . 1 . 1 37 37 ASP N N 15 125.799 0.300 . . . . . . A 37 ASP N . 34825 1 222 . 1 . 1 38 38 ILE H H 1 7.955 0.020 . . . . . . A 38 ILE H . 34825 1 223 . 1 . 1 38 38 ILE HA H 1 3.572 0.020 . . . . . . A 38 ILE HA . 34825 1 224 . 1 . 1 38 38 ILE C C 13 175.021 0.300 . . . . . . A 38 ILE C . 34825 1 225 . 1 . 1 38 38 ILE CA C 13 63.308 0.300 . . . . . . A 38 ILE CA . 34825 1 226 . 1 . 1 38 38 ILE CB C 13 35.112 0.300 . . . . . . A 38 ILE CB . 34825 1 227 . 1 . 1 38 38 ILE N N 15 123.134 0.300 . . . . . . A 38 ILE N . 34825 1 228 . 1 . 1 39 39 TYR H H 1 8.420 0.020 . . . . . . A 39 TYR H . 34825 1 229 . 1 . 1 39 39 TYR HA H 1 4.144 0.020 . . . . . . A 39 TYR HA . 34825 1 230 . 1 . 1 39 39 TYR C C 13 173.243 0.300 . . . . . . A 39 TYR C . 34825 1 231 . 1 . 1 39 39 TYR CA C 13 58.625 0.300 . . . . . . A 39 TYR CA . 34825 1 232 . 1 . 1 39 39 TYR CB C 13 34.783 0.300 . . . . . . A 39 TYR CB . 34825 1 233 . 1 . 1 39 39 TYR N N 15 120.696 0.300 . . . . . . A 39 TYR N . 34825 1 234 . 1 . 1 40 40 ARG H H 1 8.021 0.020 . . . . . . A 40 ARG H . 34825 1 235 . 1 . 1 40 40 ARG HA H 1 3.632 0.020 . . . . . . A 40 ARG HA . 34825 1 236 . 1 . 1 40 40 ARG C C 13 175.710 0.300 . . . . . . A 40 ARG C . 34825 1 237 . 1 . 1 40 40 ARG CA C 13 56.674 0.300 . . . . . . A 40 ARG CA . 34825 1 238 . 1 . 1 40 40 ARG CB C 13 27.257 0.300 . . . . . . A 40 ARG CB . 34825 1 239 . 1 . 1 40 40 ARG N N 15 116.723 0.300 . . . . . . A 40 ARG N . 34825 1 240 . 1 . 1 41 41 ARG H H 1 7.251 0.020 . . . . . . A 41 ARG H . 34825 1 241 . 1 . 1 41 41 ARG HA H 1 3.813 0.020 . . . . . . A 41 ARG HA . 34825 1 242 . 1 . 1 41 41 ARG C C 13 174.925 0.300 . . . . . . A 41 ARG C . 34825 1 243 . 1 . 1 41 41 ARG CA C 13 56.343 0.300 . . . . . . A 41 ARG CA . 34825 1 244 . 1 . 1 41 41 ARG CB C 13 27.654 0.300 . . . . . . A 41 ARG CB . 34825 1 245 . 1 . 1 41 41 ARG N N 15 116.869 0.300 . . . . . . A 41 ARG N . 34825 1 246 . 1 . 1 42 42 LEU H H 1 7.939 0.020 . . . . . . A 42 LEU H . 34825 1 247 . 1 . 1 42 42 LEU HA H 1 3.684 0.020 . . . . . . A 42 LEU HA . 34825 1 248 . 1 . 1 42 42 LEU C C 13 175.223 0.300 . . . . . . A 42 LEU C . 34825 1 249 . 1 . 1 42 42 LEU CA C 13 53.597 0.300 . . . . . . A 42 LEU CA . 34825 1 250 . 1 . 1 42 42 LEU CB C 13 40.359 0.300 . . . . . . A 42 LEU CB . 34825 1 251 . 1 . 1 42 42 LEU N N 15 118.616 0.300 . . . . . . A 42 LEU N . 34825 1 252 . 1 . 1 43 43 TYR H H 1 7.997 0.020 . . . . . . A 43 TYR H . 34825 1 253 . 1 . 1 43 43 TYR HA H 1 3.513 0.020 . . . . . . A 43 TYR HA . 34825 1 254 . 1 . 1 43 43 TYR C C 13 171.078 0.300 . . . . . . A 43 TYR C . 34825 1 255 . 1 . 1 43 43 TYR CA C 13 61.641 0.300 . . . . . . A 43 TYR CA . 34825 1 256 . 1 . 1 43 43 TYR CB C 13 33.869 0.300 . . . . . . A 43 TYR CB . 34825 1 257 . 1 . 1 43 43 TYR N N 15 119.975 0.300 . . . . . . A 43 TYR N . 34825 1 258 . 1 . 1 44 44 PRO HA H 1 4.196 0.020 . . . . . . A 44 PRO HA . 34825 1 259 . 1 . 1 44 44 PRO C C 13 174.415 0.300 . . . . . . A 44 PRO C . 34825 1 260 . 1 . 1 44 44 PRO CA C 13 62.631 0.300 . . . . . . A 44 PRO CA . 34825 1 261 . 1 . 1 44 44 PRO CB C 13 28.362 0.300 . . . . . . A 44 PRO CB . 34825 1 262 . 1 . 1 45 45 SER H H 1 8.267 0.020 . . . . . . A 45 SER H . 34825 1 263 . 1 . 1 45 45 SER HA H 1 4.370 0.020 . . . . . . A 45 SER HA . 34825 1 264 . 1 . 1 45 45 SER HB2 H 1 3.988 0.020 . . . . . . A 45 SER HB2 . 34825 1 265 . 1 . 1 45 45 SER C C 13 171.464 0.300 . . . . . . A 45 SER C . 34825 1 266 . 1 . 1 45 45 SER CA C 13 56.310 0.300 . . . . . . A 45 SER CA . 34825 1 267 . 1 . 1 45 45 SER CB C 13 61.765 0.300 . . . . . . A 45 SER CB . 34825 1 268 . 1 . 1 45 45 SER N N 15 111.856 0.300 . . . . . . A 45 SER N . 34825 1 269 . 1 . 1 46 46 LEU H H 1 7.115 0.020 . . . . . . A 46 LEU H . 34825 1 270 . 1 . 1 46 46 LEU HA H 1 4.394 0.020 . . . . . . A 46 LEU HA . 34825 1 271 . 1 . 1 46 46 LEU HB2 H 1 1.447 0.020 . . . . . . A 46 LEU HB2 . 34825 1 272 . 1 . 1 46 46 LEU HD21 H 1 0.671 0.020 . . . . . . A 46 LEU HD21 . 34825 1 273 . 1 . 1 46 46 LEU HD22 H 1 0.671 0.020 . . . . . . A 46 LEU HD22 . 34825 1 274 . 1 . 1 46 46 LEU HD23 H 1 0.671 0.020 . . . . . . A 46 LEU HD23 . 34825 1 275 . 1 . 1 46 46 LEU C C 13 174.755 0.300 . . . . . . A 46 LEU C . 34825 1 276 . 1 . 1 46 46 LEU CA C 13 51.215 0.300 . . . . . . A 46 LEU CA . 34825 1 277 . 1 . 1 46 46 LEU CB C 13 40.152 0.300 . . . . . . A 46 LEU CB . 34825 1 278 . 1 . 1 46 46 LEU N N 15 122.357 0.300 . . . . . . A 46 LEU N . 34825 1 279 . 1 . 1 47 47 THR H H 1 8.756 0.020 . . . . . . A 47 THR H . 34825 1 280 . 1 . 1 47 47 THR HA H 1 4.404 0.020 . . . . . . A 47 THR HA . 34825 1 281 . 1 . 1 47 47 THR C C 13 171.115 0.300 . . . . . . A 47 THR C . 34825 1 282 . 1 . 1 47 47 THR CA C 13 57.501 0.300 . . . . . . A 47 THR CA . 34825 1 283 . 1 . 1 47 47 THR CB C 13 65.441 0.300 . . . . . . A 47 THR CB . 34825 1 284 . 1 . 1 47 47 THR N N 15 113.388 0.300 . . . . . . A 47 THR N . 34825 1 285 . 1 . 1 48 48 PRO HA H 1 3.909 0.020 . . . . . . A 48 PRO HA . 34825 1 286 . 1 . 1 48 48 PRO C C 13 176.331 0.300 . . . . . . A 48 PRO C . 34825 1 287 . 1 . 1 48 48 PRO CA C 13 63.203 0.300 . . . . . . A 48 PRO CA . 34825 1 288 . 1 . 1 48 48 PRO CB C 13 28.707 0.300 . . . . . . A 48 PRO CB . 34825 1 289 . 1 . 1 49 49 GLU H H 1 8.684 0.020 . . . . . . A 49 GLU H . 34825 1 290 . 1 . 1 49 49 GLU HA H 1 3.901 0.020 . . . . . . A 49 GLU HA . 34825 1 291 . 1 . 1 49 49 GLU C C 13 176.924 0.300 . . . . . . A 49 GLU C . 34825 1 292 . 1 . 1 49 49 GLU CA C 13 57.501 0.300 . . . . . . A 49 GLU CA . 34825 1 293 . 1 . 1 49 49 GLU CB C 13 25.928 0.300 . . . . . . A 49 GLU CB . 34825 1 294 . 1 . 1 49 49 GLU N N 15 116.578 0.300 . . . . . . A 49 GLU N . 34825 1 295 . 1 . 1 50 50 GLU H H 1 7.664 0.020 . . . . . . A 50 GLU H . 34825 1 296 . 1 . 1 50 50 GLU HA H 1 3.901 0.020 . . . . . . A 50 GLU HA . 34825 1 297 . 1 . 1 50 50 GLU HB2 H 1 2.289 0.020 . . . . . . A 50 GLU HB2 . 34825 1 298 . 1 . 1 50 50 GLU C C 13 176.230 0.300 . . . . . . A 50 GLU C . 34825 1 299 . 1 . 1 50 50 GLU CA C 13 55.946 0.300 . . . . . . A 50 GLU CA . 34825 1 300 . 1 . 1 50 50 GLU CB C 13 27.602 0.300 . . . . . . A 50 GLU CB . 34825 1 301 . 1 . 1 50 50 GLU N N 15 121.051 0.300 . . . . . . A 50 GLU N . 34825 1 302 . 1 . 1 51 51 ARG H H 1 8.213 0.020 . . . . . . A 51 ARG H . 34825 1 303 . 1 . 1 51 51 ARG HA H 1 3.901 0.020 . . . . . . A 51 ARG HA . 34825 1 304 . 1 . 1 51 51 ARG HB2 H 1 1.598 0.020 . . . . . . A 51 ARG HB2 . 34825 1 305 . 1 . 1 51 51 ARG C C 13 175.063 0.300 . . . . . . A 51 ARG C . 34825 1 306 . 1 . 1 51 51 ARG CA C 13 56.140 0.300 . . . . . . A 51 ARG CA . 34825 1 307 . 1 . 1 51 51 ARG CB C 13 27.602 0.300 . . . . . . A 51 ARG CB . 34825 1 308 . 1 . 1 51 51 ARG N N 15 117.224 0.300 . . . . . . A 51 ARG N . 34825 1 309 . 1 . 1 52 52 GLU H H 1 7.953 0.020 . . . . . . A 52 GLU H . 34825 1 310 . 1 . 1 52 52 GLU HA H 1 3.959 0.020 . . . . . . A 52 GLU HA . 34825 1 311 . 1 . 1 52 52 GLU C C 13 176.110 0.300 . . . . . . A 52 GLU C . 34825 1 312 . 1 . 1 52 52 GLU CA C 13 56.938 0.300 . . . . . . A 52 GLU CA . 34825 1 313 . 1 . 1 52 52 GLU CB C 13 26.428 0.300 . . . . . . A 52 GLU CB . 34825 1 314 . 1 . 1 52 52 GLU N N 15 117.623 0.300 . . . . . . A 52 GLU N . 34825 1 315 . 1 . 1 53 53 SER H H 1 7.592 0.020 . . . . . . A 53 SER H . 34825 1 316 . 1 . 1 53 53 SER HA H 1 4.131 0.020 . . . . . . A 53 SER HA . 34825 1 317 . 1 . 1 53 53 SER HB2 H 1 3.885 0.020 . . . . . . A 53 SER HB2 . 34825 1 318 . 1 . 1 53 53 SER C C 13 173.712 0.300 . . . . . . A 53 SER C . 34825 1 319 . 1 . 1 53 53 SER CA C 13 58.323 0.300 . . . . . . A 53 SER CA . 34825 1 320 . 1 . 1 53 53 SER CB C 13 60.507 0.300 . . . . . . A 53 SER CB . 34825 1 321 . 1 . 1 53 53 SER N N 15 112.211 0.300 . . . . . . A 53 SER N . 34825 1 322 . 1 . 1 54 54 ILE H H 1 7.870 0.020 . . . . . . A 54 ILE H . 34825 1 323 . 1 . 1 54 54 ILE HA H 1 3.988 0.020 . . . . . . A 54 ILE HA . 34825 1 324 . 1 . 1 54 54 ILE HB H 1 2.030 0.020 . . . . . . A 54 ILE HB . 34825 1 325 . 1 . 1 54 54 ILE HD11 H 1 0.563 0.020 . . . . . . A 54 ILE HD11 . 34825 1 326 . 1 . 1 54 54 ILE HD12 H 1 0.563 0.020 . . . . . . A 54 ILE HD12 . 34825 1 327 . 1 . 1 54 54 ILE HD13 H 1 0.563 0.020 . . . . . . A 54 ILE HD13 . 34825 1 328 . 1 . 1 54 54 ILE C C 13 174.520 0.300 . . . . . . A 54 ILE C . 34825 1 329 . 1 . 1 54 54 ILE CA C 13 61.139 0.300 . . . . . . A 54 ILE CA . 34825 1 330 . 1 . 1 54 54 ILE CB C 13 34.990 0.300 . . . . . . A 54 ILE CB . 34825 1 331 . 1 . 1 54 54 ILE N N 15 121.635 0.300 . . . . . . A 54 ILE N . 34825 1 332 . 1 . 1 55 55 ASP H H 1 9.127 0.020 . . . . . . A 55 ASP H . 34825 1 333 . 1 . 1 55 55 ASP HA H 1 4.265 0.020 . . . . . . A 55 ASP HA . 34825 1 334 . 1 . 1 55 55 ASP C C 13 175.334 0.300 . . . . . . A 55 ASP C . 34825 1 335 . 1 . 1 55 55 ASP CA C 13 55.604 0.300 . . . . . . A 55 ASP CA . 34825 1 336 . 1 . 1 55 55 ASP CB C 13 38.012 0.300 . . . . . . A 55 ASP CB . 34825 1 337 . 1 . 1 55 55 ASP N N 15 122.892 0.300 . . . . . . A 55 ASP N . 34825 1 338 . 1 . 1 56 56 LYS H H 1 7.652 0.020 . . . . . . A 56 LYS H . 34825 1 339 . 1 . 1 56 56 LYS HA H 1 3.901 0.020 . . . . . . A 56 LYS HA . 34825 1 340 . 1 . 1 56 56 LYS C C 13 175.642 0.300 . . . . . . A 56 LYS C . 34825 1 341 . 1 . 1 56 56 LYS CA C 13 56.938 0.300 . . . . . . A 56 LYS CA . 34825 1 342 . 1 . 1 56 56 LYS CB C 13 29.328 0.300 . . . . . . A 56 LYS CB . 34825 1 343 . 1 . 1 56 56 LYS N N 15 117.014 0.300 . . . . . . A 56 LYS N . 34825 1 344 . 1 . 1 57 57 PHE H H 1 7.201 0.020 . . . . . . A 57 PHE H . 34825 1 345 . 1 . 1 57 57 PHE HA H 1 4.691 0.020 . . . . . . A 57 PHE HA . 34825 1 346 . 1 . 1 57 57 PHE HB2 H 1 3.370 0.020 . . . . . . A 57 PHE HB2 . 34825 1 347 . 1 . 1 57 57 PHE HB3 H 1 3.083 0.020 . . . . . . A 57 PHE HB3 . 34825 1 348 . 1 . 1 57 57 PHE C C 13 174.699 0.300 . . . . . . A 57 PHE C . 34825 1 349 . 1 . 1 57 57 PHE CA C 13 56.735 0.300 . . . . . . A 57 PHE CA . 34825 1 350 . 1 . 1 57 57 PHE CB C 13 36.907 0.300 . . . . . . A 57 PHE CB . 34825 1 351 . 1 . 1 57 57 PHE N N 15 117.595 0.300 . . . . . . A 57 PHE N . 34825 1 352 . 1 . 1 58 58 VAL H H 1 8.920 0.020 . . . . . . A 58 VAL H . 34825 1 353 . 1 . 1 58 58 VAL HA H 1 3.342 0.020 . . . . . . A 58 VAL HA . 34825 1 354 . 1 . 1 58 58 VAL C C 13 178.104 0.300 . . . . . . A 58 VAL C . 34825 1 355 . 1 . 1 58 58 VAL CA C 13 64.060 0.300 . . . . . . A 58 VAL CA . 34825 1 356 . 1 . 1 58 58 VAL CB C 13 29.190 0.300 . . . . . . A 58 VAL CB . 34825 1 357 . 1 . 1 58 58 VAL N N 15 119.565 0.300 . . . . . . A 58 VAL N . 34825 1 358 . 1 . 1 59 59 ASN H H 1 9.041 0.020 . . . . . . A 59 ASN H . 34825 1 359 . 1 . 1 59 59 ASN HA H 1 4.059 0.020 . . . . . . A 59 ASN HA . 34825 1 360 . 1 . 1 59 59 ASN C C 13 173.955 0.300 . . . . . . A 59 ASN C . 34825 1 361 . 1 . 1 59 59 ASN CA C 13 52.869 0.300 . . . . . . A 59 ASN CA . 34825 1 362 . 1 . 1 59 59 ASN CB C 13 33.540 0.300 . . . . . . A 59 ASN CB . 34825 1 363 . 1 . 1 59 59 ASN N N 15 123.102 0.300 . . . . . . A 59 ASN N . 34825 1 364 . 1 . 1 60 60 GLU H H 1 7.123 0.020 . . . . . . A 60 GLU H . 34825 1 365 . 1 . 1 60 60 GLU HA H 1 3.934 0.020 . . . . . . A 60 GLU HA . 34825 1 366 . 1 . 1 60 60 GLU C C 13 173.555 0.300 . . . . . . A 60 GLU C . 34825 1 367 . 1 . 1 60 60 GLU CA C 13 54.434 0.300 . . . . . . A 60 GLU CA . 34825 1 368 . 1 . 1 60 60 GLU CB C 13 26.842 0.300 . . . . . . A 60 GLU CB . 34825 1 369 . 1 . 1 60 60 GLU N N 15 115.634 0.300 . . . . . . A 60 GLU N . 34825 1 370 . 1 . 1 61 61 HIS H H 1 6.820 0.020 . . . . . . A 61 HIS H . 34825 1 371 . 1 . 1 61 61 HIS HA H 1 4.375 0.020 . . . . . . A 61 HIS HA . 34825 1 372 . 1 . 1 61 61 HIS C C 13 170.472 0.300 . . . . . . A 61 HIS C . 34825 1 373 . 1 . 1 61 61 HIS CA C 13 52.569 0.300 . . . . . . A 61 HIS CA . 34825 1 374 . 1 . 1 61 61 HIS CB C 13 27.862 0.300 . . . . . . A 61 HIS CB . 34825 1 375 . 1 . 1 61 61 HIS N N 15 112.219 0.300 . . . . . . A 61 HIS N . 34825 1 376 . 1 . 1 62 62 THR H H 1 7.082 0.020 . . . . . . A 62 THR H . 34825 1 377 . 1 . 1 62 62 THR HA H 1 4.476 0.020 . . . . . . A 62 THR HA . 34825 1 378 . 1 . 1 62 62 THR C C 13 169.700 0.300 . . . . . . A 62 THR C . 34825 1 379 . 1 . 1 62 62 THR CA C 13 57.198 0.300 . . . . . . A 62 THR CA . 34825 1 380 . 1 . 1 62 62 THR CB C 13 71.639 0.300 . . . . . . A 62 THR CB . 34825 1 381 . 1 . 1 62 62 THR N N 15 107.655 0.300 . . . . . . A 62 THR N . 34825 1 382 . 1 . 1 63 63 ASP H H 1 8.652 0.020 . . . . . . A 63 ASP H . 34825 1 383 . 1 . 1 63 63 ASP HA H 1 5.064 0.020 . . . . . . A 63 ASP HA . 34825 1 384 . 1 . 1 63 63 ASP HB2 H 1 2.764 0.020 . . . . . . A 63 ASP HB2 . 34825 1 385 . 1 . 1 63 63 ASP HB3 H 1 2.343 0.020 . . . . . . A 63 ASP HB3 . 34825 1 386 . 1 . 1 63 63 ASP C C 13 172.438 0.300 . . . . . . A 63 ASP C . 34825 1 387 . 1 . 1 63 63 ASP CA C 13 49.826 0.300 . . . . . . A 63 ASP CA . 34825 1 388 . 1 . 1 63 63 ASP CB C 13 40.949 0.300 . . . . . . A 63 ASP CB . 34825 1 389 . 1 . 1 63 63 ASP N N 15 118.871 0.300 . . . . . . A 63 ASP N . 34825 1 390 . 1 . 1 64 64 ALA H H 1 8.593 0.020 . . . . . . A 64 ALA H . 34825 1 391 . 1 . 1 64 64 ALA HA H 1 4.059 0.020 . . . . . . A 64 ALA HA . 34825 1 392 . 1 . 1 64 64 ALA HB1 H 1 1.203 0.020 . . . . . . A 64 ALA HB1 . 34825 1 393 . 1 . 1 64 64 ALA HB2 H 1 1.203 0.020 . . . . . . A 64 ALA HB2 . 34825 1 394 . 1 . 1 64 64 ALA HB3 H 1 1.203 0.020 . . . . . . A 64 ALA HB3 . 34825 1 395 . 1 . 1 64 64 ALA C C 13 174.837 0.300 . . . . . . A 64 ALA C . 34825 1 396 . 1 . 1 64 64 ALA CA C 13 49.793 0.300 . . . . . . A 64 ALA CA . 34825 1 397 . 1 . 1 64 64 ALA CB C 13 16.468 0.300 . . . . . . A 64 ALA CB . 34825 1 398 . 1 . 1 64 64 ALA N N 15 122.634 0.300 . . . . . . A 64 ALA N . 34825 1 399 . 1 . 1 65 65 ILE H H 1 7.910 0.020 . . . . . . A 65 ILE H . 34825 1 400 . 1 . 1 65 65 ILE HA H 1 3.815 0.020 . . . . . . A 65 ILE HA . 34825 1 401 . 1 . 1 65 65 ILE HB H 1 1.397 0.020 . . . . . . A 65 ILE HB . 34825 1 402 . 1 . 1 65 65 ILE HD11 H 1 0.663 0.020 . . . . . . A 65 ILE HD11 . 34825 1 403 . 1 . 1 65 65 ILE HD12 H 1 0.663 0.020 . . . . . . A 65 ILE HD12 . 34825 1 404 . 1 . 1 65 65 ILE HD13 H 1 0.663 0.020 . . . . . . A 65 ILE HD13 . 34825 1 405 . 1 . 1 65 65 ILE C C 13 171.377 0.300 . . . . . . A 65 ILE C . 34825 1 406 . 1 . 1 65 65 ILE CA C 13 59.519 0.300 . . . . . . A 65 ILE CA . 34825 1 407 . 1 . 1 65 65 ILE CB C 13 35.474 0.300 . . . . . . A 65 ILE CB . 34825 1 408 . 1 . 1 65 65 ILE N N 15 121.650 0.300 . . . . . . A 65 ILE N . 34825 1 409 . 1 . 1 66 66 ILE H H 1 8.148 0.020 . . . . . . A 66 ILE H . 34825 1 410 . 1 . 1 66 66 ILE HA H 1 4.275 0.020 . . . . . . A 66 ILE HA . 34825 1 411 . 1 . 1 66 66 ILE HB H 1 1.584 0.020 . . . . . . A 66 ILE HB . 34825 1 412 . 1 . 1 66 66 ILE HD11 H 1 0.462 0.020 . . . . . . A 66 ILE HD11 . 34825 1 413 . 1 . 1 66 66 ILE HD12 H 1 0.462 0.020 . . . . . . A 66 ILE HD12 . 34825 1 414 . 1 . 1 66 66 ILE HD13 H 1 0.462 0.020 . . . . . . A 66 ILE HD13 . 34825 1 415 . 1 . 1 66 66 ILE C C 13 173.091 0.300 . . . . . . A 66 ILE C . 34825 1 416 . 1 . 1 66 66 ILE CA C 13 56.868 0.300 . . . . . . A 66 ILE CA . 34825 1 417 . 1 . 1 66 66 ILE CB C 13 36.169 0.300 . . . . . . A 66 ILE CB . 34825 1 418 . 1 . 1 66 66 ILE N N 15 127.940 0.300 . . . . . . A 66 ILE N . 34825 1 419 . 1 . 1 67 67 ILE H H 1 8.248 0.020 . . . . . . A 67 ILE H . 34825 1 420 . 1 . 1 67 67 ILE HA H 1 4.188 0.020 . . . . . . A 67 ILE HA . 34825 1 421 . 1 . 1 67 67 ILE HB H 1 1.642 0.020 . . . . . . A 67 ILE HB . 34825 1 422 . 1 . 1 67 67 ILE HD11 H 1 0.735 0.020 . . . . . . A 67 ILE HD11 . 34825 1 423 . 1 . 1 67 67 ILE HD12 H 1 0.735 0.020 . . . . . . A 67 ILE HD12 . 34825 1 424 . 1 . 1 67 67 ILE HD13 H 1 0.735 0.020 . . . . . . A 67 ILE HD13 . 34825 1 425 . 1 . 1 67 67 ILE C C 13 173.394 0.300 . . . . . . A 67 ILE C . 34825 1 426 . 1 . 1 67 67 ILE CA C 13 56.862 0.300 . . . . . . A 67 ILE CA . 34825 1 427 . 1 . 1 67 67 ILE CB C 13 35.593 0.300 . . . . . . A 67 ILE CB . 34825 1 428 . 1 . 1 67 67 ILE N N 15 127.675 0.300 . . . . . . A 67 ILE N . 34825 1 429 . 1 . 1 68 68 ASP H H 1 9.305 0.020 . . . . . . A 68 ASP H . 34825 1 430 . 1 . 1 68 68 ASP HA H 1 4.136 0.020 . . . . . . A 68 ASP HA . 34825 1 431 . 1 . 1 68 68 ASP HB2 H 1 2.850 0.020 . . . . . . A 68 ASP HB2 . 34825 1 432 . 1 . 1 68 68 ASP HB3 H 1 2.562 0.020 . . . . . . A 68 ASP HB3 . 34825 1 433 . 1 . 1 68 68 ASP C C 13 173.270 0.300 . . . . . . A 68 ASP C . 34825 1 434 . 1 . 1 68 68 ASP CA C 13 52.580 0.300 . . . . . . A 68 ASP CA . 34825 1 435 . 1 . 1 68 68 ASP CB C 13 36.400 0.300 . . . . . . A 68 ASP CB . 34825 1 436 . 1 . 1 68 68 ASP N N 15 129.221 0.300 . . . . . . A 68 ASP N . 34825 1 437 . 1 . 1 69 69 GLY H H 1 8.129 0.020 . . . . . . A 69 GLY H . 34825 1 438 . 1 . 1 69 69 GLY HA2 H 1 4.016 0.020 . . . . . . A 69 GLY HA2 . 34825 1 439 . 1 . 1 69 69 GLY HA3 H 1 3.298 0.020 . . . . . . A 69 GLY HA3 . 34825 1 440 . 1 . 1 69 69 GLY C C 13 171.189 0.300 . . . . . . A 69 GLY C . 34825 1 441 . 1 . 1 69 69 GLY CA C 13 42.449 0.300 . . . . . . A 69 GLY CA . 34825 1 442 . 1 . 1 69 69 GLY N N 15 101.526 0.300 . . . . . . A 69 GLY N . 34825 1 443 . 1 . 1 70 70 VAL H H 1 7.691 0.020 . . . . . . A 70 VAL H . 34825 1 444 . 1 . 1 70 70 VAL HA H 1 4.519 0.020 . . . . . . A 70 VAL HA . 34825 1 445 . 1 . 1 70 70 VAL HB H 1 2.030 0.020 . . . . . . A 70 VAL HB . 34825 1 446 . 1 . 1 70 70 VAL HG21 H 1 0.850 0.020 . . . . . . A 70 VAL HG21 . 34825 1 447 . 1 . 1 70 70 VAL HG22 H 1 0.850 0.020 . . . . . . A 70 VAL HG22 . 34825 1 448 . 1 . 1 70 70 VAL HG23 H 1 0.850 0.020 . . . . . . A 70 VAL HG23 . 34825 1 449 . 1 . 1 70 70 VAL C C 13 170.605 0.300 . . . . . . A 70 VAL C . 34825 1 450 . 1 . 1 70 70 VAL CA C 13 56.272 0.300 . . . . . . A 70 VAL CA . 34825 1 451 . 1 . 1 70 70 VAL CB C 13 31.538 0.300 . . . . . . A 70 VAL CB . 34825 1 452 . 1 . 1 70 70 VAL N N 15 122.198 0.300 . . . . . . A 70 VAL N . 34825 1 453 . 1 . 1 71 71 PRO HA H 1 4.806 0.020 . . . . . . A 71 PRO HA . 34825 1 454 . 1 . 1 71 71 PRO C C 13 174.415 0.300 . . . . . . A 71 PRO C . 34825 1 455 . 1 . 1 71 71 PRO CA C 13 59.182 0.300 . . . . . . A 71 PRO CA . 34825 1 456 . 1 . 1 71 71 PRO CB C 13 34.990 0.300 . . . . . . A 71 PRO CB . 34825 1 457 . 1 . 1 72 72 ILE H H 1 8.371 0.020 . . . . . . A 72 ILE H . 34825 1 458 . 1 . 1 72 72 ILE HA H 1 4.002 0.020 . . . . . . A 72 ILE HA . 34825 1 459 . 1 . 1 72 72 ILE HB H 1 1.771 0.020 . . . . . . A 72 ILE HB . 34825 1 460 . 1 . 1 72 72 ILE HD11 H 1 0.649 0.020 . . . . . . A 72 ILE HD11 . 34825 1 461 . 1 . 1 72 72 ILE HD12 H 1 0.649 0.020 . . . . . . A 72 ILE HD12 . 34825 1 462 . 1 . 1 72 72 ILE HD13 H 1 0.649 0.020 . . . . . . A 72 ILE HD13 . 34825 1 463 . 1 . 1 72 72 ILE C C 13 174.525 0.300 . . . . . . A 72 ILE C . 34825 1 464 . 1 . 1 72 72 ILE CA C 13 56.574 0.300 . . . . . . A 72 ILE CA . 34825 1 465 . 1 . 1 72 72 ILE CB C 13 34.990 0.300 . . . . . . A 72 ILE CB . 34825 1 466 . 1 . 1 72 72 ILE N N 15 123.683 0.300 . . . . . . A 72 ILE N . 34825 1 467 . 1 . 1 73 73 GLN H H 1 8.740 0.020 . . . . . . A 73 GLN H . 34825 1 468 . 1 . 1 73 73 GLN HA H 1 3.772 0.020 . . . . . . A 73 GLN HA . 34825 1 469 . 1 . 1 73 73 GLN HB2 H 1 1.929 0.020 . . . . . . A 73 GLN HB2 . 34825 1 470 . 1 . 1 73 73 GLN HG2 H 1 2.274 0.020 . . . . . . A 73 GLN HG2 . 34825 1 471 . 1 . 1 73 73 GLN C C 13 173.321 0.300 . . . . . . A 73 GLN C . 34825 1 472 . 1 . 1 73 73 GLN CA C 13 54.669 0.300 . . . . . . A 73 GLN CA . 34825 1 473 . 1 . 1 73 73 GLN CB C 13 24.909 0.300 . . . . . . A 73 GLN CB . 34825 1 474 . 1 . 1 73 73 GLN N N 15 129.596 0.300 . . . . . . A 73 GLN N . 34825 1 475 . 1 . 1 74 74 GLY H H 1 8.696 0.020 . . . . . . A 74 GLY H . 34825 1 476 . 1 . 1 74 74 GLY HA2 H 1 2.667 0.020 . . . . . . A 74 GLY HA2 . 34825 1 477 . 1 . 1 74 74 GLY C C 13 169.764 0.300 . . . . . . A 74 GLY C . 34825 1 478 . 1 . 1 74 74 GLY CA C 13 41.919 0.300 . . . . . . A 74 GLY CA . 34825 1 479 . 1 . 1 74 74 GLY N N 15 114.715 0.300 . . . . . . A 74 GLY N . 34825 1 480 . 1 . 1 75 75 GLY H H 1 7.580 0.020 . . . . . . A 75 GLY H . 34825 1 481 . 1 . 1 75 75 GLY HA2 H 1 4.131 0.020 . . . . . . A 75 GLY HA2 . 34825 1 482 . 1 . 1 75 75 GLY C C 13 168.128 0.300 . . . . . . A 75 GLY C . 34825 1 483 . 1 . 1 75 75 GLY CA C 13 43.124 0.300 . . . . . . A 75 GLY CA . 34825 1 484 . 1 . 1 75 75 GLY N N 15 106.012 0.300 . . . . . . A 75 GLY N . 34825 1 485 . 1 . 1 76 76 ARG H H 1 8.745 0.020 . . . . . . A 76 ARG H . 34825 1 486 . 1 . 1 76 76 ARG HA H 1 4.969 0.020 . . . . . . A 76 ARG HA . 34825 1 487 . 1 . 1 76 76 ARG HB2 H 1 1.757 0.020 . . . . . . A 76 ARG HB2 . 34825 1 488 . 1 . 1 76 76 ARG C C 13 172.168 0.300 . . . . . . A 76 ARG C . 34825 1 489 . 1 . 1 76 76 ARG CA C 13 48.677 0.300 . . . . . . A 76 ARG CA . 34825 1 490 . 1 . 1 76 76 ARG CB C 13 28.362 0.300 . . . . . . A 76 ARG CB . 34825 1 491 . 1 . 1 76 76 ARG N N 15 123.554 0.300 . . . . . . A 76 ARG N . 34825 1 492 . 1 . 1 77 77 LYS H H 1 9.329 0.020 . . . . . . A 77 LYS H . 34825 1 493 . 1 . 1 77 77 LYS HA H 1 4.906 0.020 . . . . . . A 77 LYS HA . 34825 1 494 . 1 . 1 77 77 LYS HB2 H 1 1.584 0.020 . . . . . . A 77 LYS HB2 . 34825 1 495 . 1 . 1 77 77 LYS HG2 H 1 1.339 0.020 . . . . . . A 77 LYS HG2 . 34825 1 496 . 1 . 1 77 77 LYS C C 13 172.838 0.300 . . . . . . A 77 LYS C . 34825 1 497 . 1 . 1 77 77 LYS CA C 13 50.950 0.300 . . . . . . A 77 LYS CA . 34825 1 498 . 1 . 1 77 77 LYS CB C 13 32.833 0.300 . . . . . . A 77 LYS CB . 34825 1 499 . 1 . 1 77 77 LYS N N 15 120.954 0.300 . . . . . . A 77 LYS N . 34825 1 500 . 1 . 1 78 78 ALA H H 1 8.654 0.020 . . . . . . A 78 ALA H . 34825 1 501 . 1 . 1 78 78 ALA HA H 1 4.203 0.020 . . . . . . A 78 ALA HA . 34825 1 502 . 1 . 1 78 78 ALA HB1 H 1 1.260 0.020 . . . . . . A 78 ALA HB1 . 34825 1 503 . 1 . 1 78 78 ALA HB2 H 1 1.260 0.020 . . . . . . A 78 ALA HB2 . 34825 1 504 . 1 . 1 78 78 ALA HB3 H 1 1.260 0.020 . . . . . . A 78 ALA HB3 . 34825 1 505 . 1 . 1 78 78 ALA C C 13 175.016 0.300 . . . . . . A 78 ALA C . 34825 1 506 . 1 . 1 78 78 ALA CA C 13 49.065 0.300 . . . . . . A 78 ALA CA . 34825 1 507 . 1 . 1 78 78 ALA CB C 13 16.140 0.300 . . . . . . A 78 ALA CB . 34825 1 508 . 1 . 1 78 78 ALA N N 15 127.136 0.300 . . . . . . A 78 ALA N . 34825 1 509 . 1 . 1 79 79 ARG H H 1 9.243 0.020 . . . . . . A 79 ARG H . 34825 1 510 . 1 . 1 79 79 ARG HA H 1 4.203 0.020 . . . . . . A 79 ARG HA . 34825 1 511 . 1 . 1 79 79 ARG C C 13 173.491 0.300 . . . . . . A 79 ARG C . 34825 1 512 . 1 . 1 79 79 ARG CA C 13 53.560 0.300 . . . . . . A 79 ARG CA . 34825 1 513 . 1 . 1 79 79 ARG CB C 13 27.740 0.300 . . . . . . A 79 ARG CB . 34825 1 514 . 1 . 1 79 79 ARG N N 15 123.344 0.300 . . . . . . A 79 ARG N . 34825 1 515 . 1 . 1 80 80 ILE H H 1 8.105 0.020 . . . . . . A 80 ILE H . 34825 1 516 . 1 . 1 80 80 ILE HA H 1 3.978 0.020 . . . . . . A 80 ILE HA . 34825 1 517 . 1 . 1 80 80 ILE HB H 1 1.814 0.020 . . . . . . A 80 ILE HB . 34825 1 518 . 1 . 1 80 80 ILE HG12 H 1 1.124 0.020 . . . . . . A 80 ILE HG1 . 34825 1 519 . 1 . 1 80 80 ILE HG13 H 1 1.124 0.020 . . . . . . A 80 ILE HG1 . 34825 1 520 . 1 . 1 80 80 ILE HD11 H 1 0.764 0.020 . . . . . . A 80 ILE HD11 . 34825 1 521 . 1 . 1 80 80 ILE HD12 H 1 0.764 0.020 . . . . . . A 80 ILE HD12 . 34825 1 522 . 1 . 1 80 80 ILE HD13 H 1 0.764 0.020 . . . . . . A 80 ILE HD13 . 34825 1 523 . 1 . 1 80 80 ILE C C 13 173.185 0.300 . . . . . . A 80 ILE C . 34825 1 524 . 1 . 1 80 80 ILE CA C 13 58.158 0.300 . . . . . . A 80 ILE CA . 34825 1 525 . 1 . 1 80 80 ILE CB C 13 35.197 0.300 . . . . . . A 80 ILE CB . 34825 1 526 . 1 . 1 80 80 ILE N N 15 121.988 0.300 . . . . . . A 80 ILE N . 34825 1 527 . 1 . 1 81 81 VAL H H 1 7.984 0.020 . . . . . . A 81 VAL H . 34825 1 528 . 1 . 1 81 81 VAL HA H 1 4.045 0.020 . . . . . . A 81 VAL HA . 34825 1 529 . 1 . 1 81 81 VAL HB H 1 2.001 0.020 . . . . . . A 81 VAL HB . 34825 1 530 . 1 . 1 81 81 VAL HG21 H 1 0.879 0.020 . . . . . . A 81 VAL HG21 . 34825 1 531 . 1 . 1 81 81 VAL HG22 H 1 0.879 0.020 . . . . . . A 81 VAL HG22 . 34825 1 532 . 1 . 1 81 81 VAL HG23 H 1 0.879 0.020 . . . . . . A 81 VAL HG23 . 34825 1 533 . 1 . 1 81 81 VAL C C 13 173.131 0.300 . . . . . . A 81 VAL C . 34825 1 534 . 1 . 1 81 81 VAL CA C 13 59.078 0.300 . . . . . . A 81 VAL CA . 34825 1 535 . 1 . 1 81 81 VAL CB C 13 30.295 0.300 . . . . . . A 81 VAL CB . 34825 1 536 . 1 . 1 81 81 VAL N N 15 124.152 0.300 . . . . . . A 81 VAL N . 34825 1 537 . 1 . 1 82 82 GLY H H 1 8.306 0.020 . . . . . . A 82 GLY H . 34825 1 538 . 1 . 1 82 82 GLY HA2 H 1 3.830 0.020 . . . . . . A 82 GLY HA2 . 34825 1 539 . 1 . 1 82 82 GLY C C 13 170.389 0.300 . . . . . . A 82 GLY C . 34825 1 540 . 1 . 1 82 82 GLY CA C 13 41.915 0.300 . . . . . . A 82 GLY CA . 34825 1 541 . 1 . 1 82 82 GLY N N 15 111.793 0.300 . . . . . . A 82 GLY N . 34825 1 542 . 1 . 1 83 83 LYS H H 1 8.077 0.020 . . . . . . A 83 LYS H . 34825 1 543 . 1 . 1 83 83 LYS HA H 1 4.098 0.020 . . . . . . A 83 LYS HA . 34825 1 544 . 1 . 1 83 83 LYS HB2 H 1 1.705 0.020 . . . . . . A 83 LYS HB2 . 34825 1 545 . 1 . 1 83 83 LYS HG2 H 1 1.346 0.020 . . . . . . A 83 LYS HG2 . 34825 1 546 . 1 . 1 83 83 LYS C C 13 174.318 0.300 . . . . . . A 83 LYS C . 34825 1 547 . 1 . 1 83 83 LYS CA C 13 54.272 0.300 . . . . . . A 83 LYS CA . 34825 1 548 . 1 . 1 83 83 LYS CB C 13 30.019 0.300 . . . . . . A 83 LYS CB . 34825 1 549 . 1 . 1 83 83 LYS N N 15 119.000 0.300 . . . . . . A 83 LYS N . 34825 1 550 . 1 . 1 84 84 ILE H H 1 8.035 0.020 . . . . . . A 84 ILE H . 34825 1 551 . 1 . 1 84 84 ILE HA H 1 4.131 0.020 . . . . . . A 84 ILE HA . 34825 1 552 . 1 . 1 84 84 ILE HB H 1 1.820 0.020 . . . . . . A 84 ILE HB . 34825 1 553 . 1 . 1 84 84 ILE HG12 H 1 1.059 0.020 . . . . . . A 84 ILE HG1 . 34825 1 554 . 1 . 1 84 84 ILE HG13 H 1 1.059 0.020 . . . . . . A 84 ILE HG1 . 34825 1 555 . 1 . 1 84 84 ILE HD11 H 1 0.774 0.020 . . . . . . A 84 ILE HD11 . 34825 1 556 . 1 . 1 84 84 ILE HD12 H 1 0.774 0.020 . . . . . . A 84 ILE HD12 . 34825 1 557 . 1 . 1 84 84 ILE HD13 H 1 0.774 0.020 . . . . . . A 84 ILE HD13 . 34825 1 558 . 1 . 1 84 84 ILE C C 13 172.926 0.300 . . . . . . A 84 ILE C . 34825 1 559 . 1 . 1 84 84 ILE CA C 13 57.699 0.300 . . . . . . A 84 ILE CA . 34825 1 560 . 1 . 1 84 84 ILE CB C 13 34.905 0.300 . . . . . . A 84 ILE CB . 34825 1 561 . 1 . 1 84 84 ILE N N 15 120.505 0.300 . . . . . . A 84 ILE N . 34825 1 562 . 1 . 1 85 85 VAL H H 1 7.971 0.020 . . . . . . A 85 VAL H . 34825 1 563 . 1 . 1 85 85 VAL HA H 1 4.238 0.020 . . . . . . A 85 VAL HA . 34825 1 564 . 1 . 1 85 85 VAL HB H 1 2.044 0.020 . . . . . . A 85 VAL HB . 34825 1 565 . 1 . 1 85 85 VAL HG11 H 1 1.339 0.020 . . . . . . A 85 VAL HG11 . 34825 1 566 . 1 . 1 85 85 VAL HG12 H 1 1.339 0.020 . . . . . . A 85 VAL HG12 . 34825 1 567 . 1 . 1 85 85 VAL HG13 H 1 1.339 0.020 . . . . . . A 85 VAL HG13 . 34825 1 568 . 1 . 1 85 85 VAL HG21 H 1 1.196 0.020 . . . . . . A 85 VAL HG21 . 34825 1 569 . 1 . 1 85 85 VAL HG22 H 1 1.196 0.020 . . . . . . A 85 VAL HG22 . 34825 1 570 . 1 . 1 85 85 VAL HG23 H 1 1.196 0.020 . . . . . . A 85 VAL HG23 . 34825 1 571 . 1 . 1 85 85 VAL C C 13 172.549 0.300 . . . . . . A 85 VAL C . 34825 1 572 . 1 . 1 85 85 VAL CA C 13 58.158 0.300 . . . . . . A 85 VAL CA . 34825 1 573 . 1 . 1 85 85 VAL CB C 13 30.709 0.300 . . . . . . A 85 VAL CB . 34825 1 574 . 1 . 1 85 85 VAL N N 15 121.762 0.300 . . . . . . A 85 VAL N . 34825 1 575 . 1 . 1 86 86 SER H H 1 8.130 0.020 . . . . . . A 86 SER H . 34825 1 576 . 1 . 1 86 86 SER HA H 1 4.648 0.020 . . . . . . A 86 SER HA . 34825 1 577 . 1 . 1 86 86 SER HB2 H 1 3.916 0.020 . . . . . . A 86 SER HB2 . 34825 1 578 . 1 . 1 86 86 SER C C 13 170.334 0.300 . . . . . . A 86 SER C . 34825 1 579 . 1 . 1 86 86 SER CA C 13 53.729 0.300 . . . . . . A 86 SER CA . 34825 1 580 . 1 . 1 86 86 SER CB C 13 60.469 0.300 . . . . . . A 86 SER CB . 34825 1 581 . 1 . 1 86 86 SER N N 15 119.880 0.300 . . . . . . A 86 SER N . 34825 1 582 . 1 . 1 87 87 PRO HA H 1 4.199 0.020 . . . . . . A 87 PRO HA . 34825 1 583 . 1 . 1 87 87 PRO C C 13 176.492 0.300 . . . . . . A 87 PRO C . 34825 1 584 . 1 . 1 87 87 PRO CA C 13 62.258 0.300 . . . . . . A 87 PRO CA . 34825 1 585 . 1 . 1 87 87 PRO CB C 13 28.983 0.300 . . . . . . A 87 PRO CB . 34825 1 586 . 1 . 1 88 88 GLY H H 1 8.557 0.020 . . . . . . A 88 GLY H . 34825 1 587 . 1 . 1 88 88 GLY HA2 H 1 3.857 0.020 . . . . . . A 88 GLY HA2 . 34825 1 588 . 1 . 1 88 88 GLY C C 13 173.307 0.300 . . . . . . A 88 GLY C . 34825 1 589 . 1 . 1 88 88 GLY CA C 13 43.483 0.300 . . . . . . A 88 GLY CA . 34825 1 590 . 1 . 1 88 88 GLY N N 15 107.907 0.300 . . . . . . A 88 GLY N . 34825 1 591 . 1 . 1 89 89 VAL H H 1 7.403 0.020 . . . . . . A 89 VAL H . 34825 1 592 . 1 . 1 89 89 VAL HA H 1 3.756 0.020 . . . . . . A 89 VAL HA . 34825 1 593 . 1 . 1 89 89 VAL HB H 1 2.073 0.020 . . . . . . A 89 VAL HB . 34825 1 594 . 1 . 1 89 89 VAL HG21 H 1 0.937 0.020 . . . . . . A 89 VAL HG21 . 34825 1 595 . 1 . 1 89 89 VAL HG22 H 1 0.937 0.020 . . . . . . A 89 VAL HG22 . 34825 1 596 . 1 . 1 89 89 VAL HG23 H 1 0.937 0.020 . . . . . . A 89 VAL HG23 . 34825 1 597 . 1 . 1 89 89 VAL C C 13 175.669 0.300 . . . . . . A 89 VAL C . 34825 1 598 . 1 . 1 89 89 VAL CA C 13 62.628 0.300 . . . . . . A 89 VAL CA . 34825 1 599 . 1 . 1 89 89 VAL CB C 13 29.259 0.300 . . . . . . A 89 VAL CB . 34825 1 600 . 1 . 1 89 89 VAL N N 15 121.826 0.300 . . . . . . A 89 VAL N . 34825 1 601 . 1 . 1 90 90 LYS H H 1 8.260 0.020 . . . . . . A 90 LYS H . 34825 1 602 . 1 . 1 90 90 LYS HA H 1 3.799 0.020 . . . . . . A 90 LYS HA . 34825 1 603 . 1 . 1 90 90 LYS HB2 H 1 1.771 0.020 . . . . . . A 90 LYS HB2 . 34825 1 604 . 1 . 1 90 90 LYS HG2 H 1 1.325 0.020 . . . . . . A 90 LYS HG2 . 34825 1 605 . 1 . 1 90 90 LYS C C 13 175.582 0.300 . . . . . . A 90 LYS C . 34825 1 606 . 1 . 1 90 90 LYS CA C 13 57.501 0.300 . . . . . . A 90 LYS CA . 34825 1 607 . 1 . 1 90 90 LYS CB C 13 29.381 0.300 . . . . . . A 90 LYS CB . 34825 1 608 . 1 . 1 90 90 LYS N N 15 122.311 0.300 . . . . . . A 90 LYS N . 34825 1 609 . 1 . 1 91 91 GLY H H 1 8.325 0.020 . . . . . . A 91 GLY H . 34825 1 610 . 1 . 1 91 91 GLY HA2 H 1 3.973 0.020 . . . . . . A 91 GLY HA2 . 34825 1 611 . 1 . 1 91 91 GLY HA3 H 1 3.758 0.020 . . . . . . A 91 GLY HA3 . 34825 1 612 . 1 . 1 91 91 GLY C C 13 174.258 0.300 . . . . . . A 91 GLY C . 34825 1 613 . 1 . 1 91 91 GLY CA C 13 43.470 0.300 . . . . . . A 91 GLY CA . 34825 1 614 . 1 . 1 91 91 GLY N N 15 106.012 0.300 . . . . . . A 91 GLY N . 34825 1 615 . 1 . 1 92 92 LEU H H 1 7.632 0.020 . . . . . . A 92 LEU H . 34825 1 616 . 1 . 1 92 92 LEU HA H 1 4.144 0.020 . . . . . . A 92 LEU HA . 34825 1 617 . 1 . 1 92 92 LEU HB2 H 1 1.886 0.020 . . . . . . A 92 LEU HB2 . 34825 1 618 . 1 . 1 92 92 LEU C C 13 177.071 0.300 . . . . . . A 92 LEU C . 34825 1 619 . 1 . 1 92 92 LEU CA C 13 54.523 0.300 . . . . . . A 92 LEU CA . 34825 1 620 . 1 . 1 92 92 LEU CB C 13 39.064 0.300 . . . . . . A 92 LEU CB . 34825 1 621 . 1 . 1 92 92 LEU N N 15 122.682 0.300 . . . . . . A 92 LEU N . 34825 1 622 . 1 . 1 93 93 ALA H H 1 7.827 0.020 . . . . . . A 93 ALA H . 34825 1 623 . 1 . 1 93 93 ALA HA H 1 4.320 0.020 . . . . . . A 93 ALA HA . 34825 1 624 . 1 . 1 93 93 ALA HB1 H 1 1.598 0.020 . . . . . . A 93 ALA HB1 . 34825 1 625 . 1 . 1 93 93 ALA HB2 H 1 1.598 0.020 . . . . . . A 93 ALA HB2 . 34825 1 626 . 1 . 1 93 93 ALA HB3 H 1 1.598 0.020 . . . . . . A 93 ALA HB3 . 34825 1 627 . 1 . 1 93 93 ALA C C 13 178.881 0.300 . . . . . . A 93 ALA C . 34825 1 628 . 1 . 1 93 93 ALA CA C 13 52.230 0.300 . . . . . . A 93 ALA CA . 34825 1 629 . 1 . 1 93 93 ALA CB C 13 15.709 0.300 . . . . . . A 93 ALA CB . 34825 1 630 . 1 . 1 93 93 ALA N N 15 123.102 0.300 . . . . . . A 93 ALA N . 34825 1 631 . 1 . 1 94 94 THR H H 1 8.944 0.020 . . . . . . A 94 THR H . 34825 1 632 . 1 . 1 94 94 THR HA H 1 3.792 0.020 . . . . . . A 94 THR HA . 34825 1 633 . 1 . 1 94 94 THR CA C 13 63.498 0.300 . . . . . . A 94 THR CA . 34825 1 634 . 1 . 1 94 94 THR CB C 13 64.941 0.300 . . . . . . A 94 THR CB . 34825 1 635 . 1 . 1 94 94 THR N N 15 115.490 0.300 . . . . . . A 94 THR N . 34825 1 636 . 1 . 1 95 95 GLY H H 1 8.165 0.020 . . . . . . A 95 GLY H . 34825 1 637 . 1 . 1 95 95 GLY HA2 H 1 3.914 0.020 . . . . . . A 95 GLY HA2 . 34825 1 638 . 1 . 1 95 95 GLY C C 13 173.491 0.300 . . . . . . A 95 GLY C . 34825 1 639 . 1 . 1 95 95 GLY CA C 13 44.268 0.300 . . . . . . A 95 GLY CA . 34825 1 640 . 1 . 1 95 95 GLY N N 15 110.561 0.300 . . . . . . A 95 GLY N . 34825 1 641 . 1 . 1 96 96 PHE H H 1 7.894 0.020 . . . . . . A 96 PHE H . 34825 1 642 . 1 . 1 96 96 PHE C C 13 173.105 0.300 . . . . . . A 96 PHE C . 34825 1 643 . 1 . 1 96 96 PHE CA C 13 58.036 0.300 . . . . . . A 96 PHE CA . 34825 1 644 . 1 . 1 96 96 PHE CB C 13 35.526 0.300 . . . . . . A 96 PHE CB . 34825 1 645 . 1 . 1 96 96 PHE N N 15 121.939 0.300 . . . . . . A 96 PHE N . 34825 1 646 . 1 . 1 97 97 PHE H H 1 7.517 0.020 . . . . . . A 97 PHE H . 34825 1 647 . 1 . 1 97 97 PHE HA H 1 3.428 0.020 . . . . . . A 97 PHE HA . 34825 1 648 . 1 . 1 97 97 PHE C C 13 173.491 0.300 . . . . . . A 97 PHE C . 34825 1 649 . 1 . 1 97 97 PHE CA C 13 59.386 0.300 . . . . . . A 97 PHE CA . 34825 1 650 . 1 . 1 97 97 PHE CB C 13 35.181 0.300 . . . . . . A 97 PHE CB . 34825 1 651 . 1 . 1 97 97 PHE N N 15 117.986 0.300 . . . . . . A 97 PHE N . 34825 1 652 . 1 . 1 98 98 GLU H H 1 8.112 0.020 . . . . . . A 98 GLU H . 34825 1 653 . 1 . 1 98 98 GLU HA H 1 3.516 0.020 . . . . . . A 98 GLU HA . 34825 1 654 . 1 . 1 98 98 GLU C C 13 176.933 0.300 . . . . . . A 98 GLU C . 34825 1 655 . 1 . 1 98 98 GLU CA C 13 56.440 0.300 . . . . . . A 98 GLU CA . 34825 1 656 . 1 . 1 98 98 GLU CB C 13 26.550 0.300 . . . . . . A 98 GLU CB . 34825 1 657 . 1 . 1 98 98 GLU N N 15 117.225 0.300 . . . . . . A 98 GLU N . 34825 1 658 . 1 . 1 99 99 GLU H H 1 8.072 0.020 . . . . . . A 99 GLU H . 34825 1 659 . 1 . 1 99 99 GLU HA H 1 3.885 0.020 . . . . . . A 99 GLU HA . 34825 1 660 . 1 . 1 99 99 GLU C C 13 175.375 0.300 . . . . . . A 99 GLU C . 34825 1 661 . 1 . 1 99 99 GLU CA C 13 56.078 0.300 . . . . . . A 99 GLU CA . 34825 1 662 . 1 . 1 99 99 GLU CB C 13 26.964 0.300 . . . . . . A 99 GLU CB . 34825 1 663 . 1 . 1 99 99 GLU N N 15 119.951 0.300 . . . . . . A 99 GLU N . 34825 1 664 . 1 . 1 100 100 LEU H H 1 8.699 0.020 . . . . . . A 100 LEU H . 34825 1 665 . 1 . 1 100 100 LEU HA H 1 3.724 0.020 . . . . . . A 100 LEU HA . 34825 1 666 . 1 . 1 100 100 LEU C C 13 175.504 0.300 . . . . . . A 100 LEU C . 34825 1 667 . 1 . 1 100 100 LEU CA C 13 55.280 0.300 . . . . . . A 100 LEU CA . 34825 1 668 . 1 . 1 100 100 LEU CB C 13 37.598 0.300 . . . . . . A 100 LEU CB . 34825 1 669 . 1 . 1 100 100 LEU N N 15 120.950 0.300 . . . . . . A 100 LEU N . 34825 1 670 . 1 . 1 101 101 GLY H H 1 8.306 0.020 . . . . . . A 101 GLY H . 34825 1 671 . 1 . 1 101 101 GLY HA2 H 1 3.219 0.020 . . . . . . A 101 GLY HA2 . 34825 1 672 . 1 . 1 101 101 GLY HA3 H 1 3.141 0.020 . . . . . . A 101 GLY HA3 . 34825 1 673 . 1 . 1 101 101 GLY C C 13 171.777 0.300 . . . . . . A 101 GLY C . 34825 1 674 . 1 . 1 101 101 GLY CA C 13 44.890 0.300 . . . . . . A 101 GLY CA . 34825 1 675 . 1 . 1 101 101 GLY N N 15 104.590 0.300 . . . . . . A 101 GLY N . 34825 1 676 . 1 . 1 102 102 SER H H 1 7.377 0.020 . . . . . . A 102 SER H . 34825 1 677 . 1 . 1 102 102 SER HA H 1 4.000 0.020 . . . . . . A 102 SER HA . 34825 1 678 . 1 . 1 102 102 SER HB2 H 1 3.785 0.020 . . . . . . A 102 SER HB2 . 34825 1 679 . 1 . 1 102 102 SER C C 13 174.699 0.300 . . . . . . A 102 SER C . 34825 1 680 . 1 . 1 102 102 SER CA C 13 58.559 0.300 . . . . . . A 102 SER CA . 34825 1 681 . 1 . 1 102 102 SER CB C 13 60.262 0.300 . . . . . . A 102 SER CB . 34825 1 682 . 1 . 1 102 102 SER N N 15 114.524 0.300 . . . . . . A 102 SER N . 34825 1 683 . 1 . 1 103 103 LYS H H 1 8.205 0.020 . . . . . . A 103 LYS H . 34825 1 684 . 1 . 1 103 103 LYS HA H 1 3.857 0.020 . . . . . . A 103 LYS HA . 34825 1 685 . 1 . 1 103 103 LYS C C 13 177.002 0.300 . . . . . . A 103 LYS C . 34825 1 686 . 1 . 1 103 103 LYS CA C 13 56.707 0.300 . . . . . . A 103 LYS CA . 34825 1 687 . 1 . 1 103 103 LYS CB C 13 29.933 0.300 . . . . . . A 103 LYS CB . 34825 1 688 . 1 . 1 103 103 LYS N N 15 120.764 0.300 . . . . . . A 103 LYS N . 34825 1 689 . 1 . 1 104 104 LEU H H 1 8.455 0.020 . . . . . . A 104 LEU H . 34825 1 690 . 1 . 1 104 104 LEU HA H 1 4.015 0.020 . . . . . . A 104 LEU HA . 34825 1 691 . 1 . 1 104 104 LEU C C 13 175.995 0.300 . . . . . . A 104 LEU C . 34825 1 692 . 1 . 1 104 104 LEU CA C 13 54.916 0.300 . . . . . . A 104 LEU CA . 34825 1 693 . 1 . 1 104 104 LEU CB C 13 39.048 0.300 . . . . . . A 104 LEU CB . 34825 1 694 . 1 . 1 104 104 LEU N N 15 118.080 0.300 . . . . . . A 104 LEU N . 34825 1 695 . 1 . 1 105 105 ALA H H 1 8.297 0.020 . . . . . . A 105 ALA H . 34825 1 696 . 1 . 1 105 105 ALA HA H 1 4.102 0.020 . . . . . . A 105 ALA HA . 34825 1 697 . 1 . 1 105 105 ALA HB1 H 1 1.383 0.020 . . . . . . A 105 ALA HB1 . 34825 1 698 . 1 . 1 105 105 ALA HB2 H 1 1.383 0.020 . . . . . . A 105 ALA HB2 . 34825 1 699 . 1 . 1 105 105 ALA HB3 H 1 1.383 0.020 . . . . . . A 105 ALA HB3 . 34825 1 700 . 1 . 1 105 105 ALA C C 13 178.615 0.300 . . . . . . A 105 ALA C . 34825 1 701 . 1 . 1 105 105 ALA CA C 13 52.869 0.300 . . . . . . A 105 ALA CA . 34825 1 702 . 1 . 1 105 105 ALA CB C 13 14.811 0.300 . . . . . . A 105 ALA CB . 34825 1 703 . 1 . 1 105 105 ALA N N 15 120.308 0.300 . . . . . . A 105 ALA N . 34825 1 704 . 1 . 1 106 106 GLN H H 1 7.664 0.020 . . . . . . A 106 GLN H . 34825 1 705 . 1 . 1 106 106 GLN HA H 1 3.943 0.020 . . . . . . A 106 GLN HA . 34825 1 706 . 1 . 1 106 106 GLN HB2 H 1 2.087 0.020 . . . . . . A 106 GLN HB2 . 34825 1 707 . 1 . 1 106 106 GLN HG2 H 1 2.318 0.020 . . . . . . A 106 GLN HG2 . 34825 1 708 . 1 . 1 106 106 GLN C C 13 175.559 0.300 . . . . . . A 106 GLN C . 34825 1 709 . 1 . 1 106 106 GLN CA C 13 55.648 0.300 . . . . . . A 106 GLN CA . 34825 1 710 . 1 . 1 106 106 GLN CB C 13 25.669 0.300 . . . . . . A 106 GLN CB . 34825 1 711 . 1 . 1 106 106 GLN N N 15 116.562 0.300 . . . . . . A 106 GLN N . 34825 1 712 . 1 . 1 107 107 LEU H H 1 7.640 0.020 . . . . . . A 107 LEU H . 34825 1 713 . 1 . 1 107 107 LEU HA H 1 4.000 0.020 . . . . . . A 107 LEU HA . 34825 1 714 . 1 . 1 107 107 LEU HB2 H 1 1.785 0.020 . . . . . . A 107 LEU HB2 . 34825 1 715 . 1 . 1 107 107 LEU HG H 1 1.095 0.020 . . . . . . A 107 LEU HG . 34825 1 716 . 1 . 1 107 107 LEU C C 13 176.358 0.300 . . . . . . A 107 LEU C . 34825 1 717 . 1 . 1 107 107 LEU CA C 13 54.523 0.300 . . . . . . A 107 LEU CA . 34825 1 718 . 1 . 1 107 107 LEU CB C 13 38.975 0.300 . . . . . . A 107 LEU CB . 34825 1 719 . 1 . 1 107 107 LEU N N 15 119.727 0.300 . . . . . . A 107 LEU N . 34825 1 720 . 1 . 1 108 108 PHE H H 1 7.785 0.020 . . . . . . A 108 PHE H . 34825 1 721 . 1 . 1 108 108 PHE HA H 1 4.245 0.020 . . . . . . A 108 PHE HA . 34825 1 722 . 1 . 1 108 108 PHE HB2 H 1 3.109 0.020 . . . . . . A 108 PHE HB2 . 34825 1 723 . 1 . 1 108 108 PHE HB3 H 1 2.807 0.020 . . . . . . A 108 PHE HB3 . 34825 1 724 . 1 . 1 108 108 PHE C C 13 173.996 0.300 . . . . . . A 108 PHE C . 34825 1 725 . 1 . 1 108 108 PHE CA C 13 57.170 0.300 . . . . . . A 108 PHE CA . 34825 1 726 . 1 . 1 108 108 PHE CB C 13 36.562 0.300 . . . . . . A 108 PHE CB . 34825 1 727 . 1 . 1 108 108 PHE N N 15 116.223 0.300 . . . . . . A 108 PHE N . 34825 1 728 . 1 . 1 109 109 ALA H H 1 7.595 0.020 . . . . . . A 109 ALA H . 34825 1 729 . 1 . 1 109 109 ALA HA H 1 4.245 0.020 . . . . . . A 109 ALA HA . 34825 1 730 . 1 . 1 109 109 ALA HB1 H 1 1.426 0.020 . . . . . . A 109 ALA HB1 . 34825 1 731 . 1 . 1 109 109 ALA HB2 H 1 1.426 0.020 . . . . . . A 109 ALA HB2 . 34825 1 732 . 1 . 1 109 109 ALA HB3 H 1 1.426 0.020 . . . . . . A 109 ALA HB3 . 34825 1 733 . 1 . 1 109 109 ALA C C 13 175.664 0.300 . . . . . . A 109 ALA C . 34825 1 734 . 1 . 1 109 109 ALA CA C 13 50.595 0.300 . . . . . . A 109 ALA CA . 34825 1 735 . 1 . 1 109 109 ALA CB C 13 16.261 0.300 . . . . . . A 109 ALA CB . 34825 1 736 . 1 . 1 109 109 ALA N N 15 121.891 0.300 . . . . . . A 109 ALA N . 34825 1 737 . 1 . 1 110 110 GLY H H 1 7.968 0.020 . . . . . . A 110 GLY H . 34825 1 738 . 1 . 1 110 110 GLY HA2 H 1 3.885 0.020 . . . . . . A 110 GLY HA2 . 34825 1 739 . 1 . 1 110 110 GLY C C 13 171.639 0.300 . . . . . . A 110 GLY C . 34825 1 740 . 1 . 1 110 110 GLY CA C 13 42.808 0.300 . . . . . . A 110 GLY CA . 34825 1 741 . 1 . 1 110 110 GLY N N 15 106.770 0.300 . . . . . . A 110 GLY N . 34825 1 742 . 1 . 1 111 111 GLU H H 1 8.105 0.020 . . . . . . A 111 GLU H . 34825 1 743 . 1 . 1 111 111 GLU HA H 1 4.173 0.020 . . . . . . A 111 GLU HA . 34825 1 744 . 1 . 1 111 111 GLU HB2 H 1 1.857 0.020 . . . . . . A 111 GLU HB2 . 34825 1 745 . 1 . 1 111 111 GLU HG2 H 1 2.188 0.020 . . . . . . A 111 GLU HG2 . 34825 1 746 . 1 . 1 111 111 GLU C C 13 173.408 0.300 . . . . . . A 111 GLU C . 34825 1 747 . 1 . 1 111 111 GLU CA C 13 53.729 0.300 . . . . . . A 111 GLU CA . 34825 1 748 . 1 . 1 111 111 GLU CB C 13 27.188 0.300 . . . . . . A 111 GLU CB . 34825 1 749 . 1 . 1 111 111 GLU N N 15 119.809 0.300 . . . . . . A 111 GLU N . 34825 1 750 . 1 . 1 112 112 ASN H H 1 8.339 0.020 . . . . . . A 112 ASN H . 34825 1 751 . 1 . 1 112 112 ASN HA H 1 4.496 0.020 . . . . . . A 112 ASN HA . 34825 1 752 . 1 . 1 112 112 ASN HB2 H 1 2.692 0.020 . . . . . . A 112 ASN HB2 . 34825 1 753 . 1 . 1 112 112 ASN HB3 H 1 2.576 0.020 . . . . . . A 112 ASN HB3 . 34825 1 754 . 1 . 1 112 112 ASN C C 13 172.177 0.300 . . . . . . A 112 ASN C . 34825 1 755 . 1 . 1 112 112 ASN CA C 13 50.648 0.300 . . . . . . A 112 ASN CA . 34825 1 756 . 1 . 1 112 112 ASN CB C 13 35.802 0.300 . . . . . . A 112 ASN CB . 34825 1 757 . 1 . 1 112 112 ASN N N 15 118.844 0.300 . . . . . . A 112 ASN N . 34825 1 758 . 1 . 1 113 113 LEU H H 1 7.961 0.020 . . . . . . A 113 LEU H . 34825 1 759 . 1 . 1 113 113 LEU HA H 1 4.073 0.020 . . . . . . A 113 LEU HA . 34825 1 760 . 1 . 1 113 113 LEU HD21 H 1 0.836 0.020 . . . . . . A 113 LEU HD21 . 34825 1 761 . 1 . 1 113 113 LEU HD22 H 1 0.836 0.020 . . . . . . A 113 LEU HD22 . 34825 1 762 . 1 . 1 113 113 LEU HD23 H 1 0.836 0.020 . . . . . . A 113 LEU HD23 . 34825 1 763 . 1 . 1 113 113 LEU C C 13 174.038 0.300 . . . . . . A 113 LEU C . 34825 1 764 . 1 . 1 113 113 LEU CA C 13 52.468 0.300 . . . . . . A 113 LEU CA . 34825 1 765 . 1 . 1 113 113 LEU CB C 13 39.324 0.300 . . . . . . A 113 LEU CB . 34825 1 766 . 1 . 1 113 113 LEU N N 15 121.959 0.300 . . . . . . A 113 LEU N . 34825 1 767 . 1 . 1 114 114 TYR H H 1 7.915 0.020 . . . . . . A 114 TYR H . 34825 1 768 . 1 . 1 114 114 TYR HA H 1 4.418 0.020 . . . . . . A 114 TYR HA . 34825 1 769 . 1 . 1 114 114 TYR HB2 H 1 2.821 0.020 . . . . . . A 114 TYR HB2 . 34825 1 770 . 1 . 1 114 114 TYR HB3 H 1 2.692 0.020 . . . . . . A 114 TYR HB3 . 34825 1 771 . 1 . 1 114 114 TYR C C 13 172.347 0.300 . . . . . . A 114 TYR C . 34825 1 772 . 1 . 1 114 114 TYR CA C 13 54.854 0.300 . . . . . . A 114 TYR CA . 34825 1 773 . 1 . 1 114 114 TYR CB C 13 36.026 0.300 . . . . . . A 114 TYR CB . 34825 1 774 . 1 . 1 114 114 TYR N N 15 119.376 0.300 . . . . . . A 114 TYR N . 34825 1 775 . 1 . 1 115 115 PHE H H 1 7.901 0.020 . . . . . . A 115 PHE H . 34825 1 776 . 1 . 1 115 115 PHE HA H 1 4.522 0.020 . . . . . . A 115 PHE HA . 34825 1 777 . 1 . 1 115 115 PHE HB2 H 1 3.069 0.020 . . . . . . A 115 PHE HB2 . 34825 1 778 . 1 . 1 115 115 PHE HB3 H 1 2.853 0.020 . . . . . . A 115 PHE HB3 . 34825 1 779 . 1 . 1 115 115 PHE C C 13 171.837 0.300 . . . . . . A 115 PHE C . 34825 1 780 . 1 . 1 115 115 PHE CA C 13 54.614 0.300 . . . . . . A 115 PHE CA . 34825 1 781 . 1 . 1 115 115 PHE CB C 13 36.769 0.300 . . . . . . A 115 PHE CB . 34825 1 782 . 1 . 1 115 115 PHE N N 15 120.988 0.300 . . . . . . A 115 PHE N . 34825 1 783 . 1 . 1 116 116 GLN H H 1 7.743 0.020 . . . . . . A 116 GLN H . 34825 1 784 . 1 . 1 116 116 GLN HA H 1 4.000 0.020 . . . . . . A 116 GLN HA . 34825 1 785 . 1 . 1 116 116 GLN HB2 H 1 1.800 0.020 . . . . . . A 116 GLN HB2 . 34825 1 786 . 1 . 1 116 116 GLN HG2 H 1 2.145 0.020 . . . . . . A 116 GLN HG2 . 34825 1 787 . 1 . 1 116 116 GLN C C 13 177.530 0.300 . . . . . . A 116 GLN C . 34825 1 788 . 1 . 1 116 116 GLN CA C 13 54.522 0.300 . . . . . . A 116 GLN CA . 34825 1 789 . 1 . 1 116 116 GLN CB C 13 27.602 0.300 . . . . . . A 116 GLN CB . 34825 1 790 . 1 . 1 116 116 GLN N N 15 126.009 0.300 . . . . . . A 116 GLN N . 34825 1 stop_ save_