data_34910 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34910 _Entry.Title ; NMR solution structure of lipid transfer protei Sola l7 from tomato seeds ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-18 _Entry.Accession_date 2024-03-18 _Entry.Last_release_date 2024-04-10 _Entry.Original_release_date 2024-04-10 _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 J. Parron-Ballesteros J. . . . 34910 2 L. Mantin-Pedraz L. . . . 34910 3 R. G.Gordo R. . . . 34910 4 C. Mayorga C. . . . 34910 5 M. Villaba M. . . . 34910 6 E. Batanero E. . . . 34910 7 D. Pantoja-Uceda D. . . . 34910 8 J. Turnay J. . . . 34910 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ALLERGEN . 34910 'Lipid transfer protein fatty acids' . 34910 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34910 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 34910 '15N chemical shifts' 95 34910 '1H chemical shifts' 587 34910 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 . . 2024-08-28 . original BMRB . 34910 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9EP9 'BMRB Entry Tracking System' 34910 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34910 _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 ; NMR solution structure of lipid transfer protei Sola l7 from tomato seeds ; _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 J. Parron-Ballesteros J. . . . 34910 1 2 L. Mantin-Pedraz L. . . . 34910 1 3 R. G.Gordo R. . . . 34910 1 4 C. Mayorga C. . . . 34910 1 5 M. Villalba M. . . . 34910 1 6 E. Batanero E. . . . 34910 1 7 D. Pantoja-Uceda D. . . . 34910 1 8 J. Turnay J. . . . 34910 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34910 _Assembly.ID 1 _Assembly.Name 'Non-specific lipid-transfer protein' _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 . . . . . . 34910 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . . . 34910 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 28 28 SG . . . . . . . . . . . . 34910 1 3 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 74 74 SG . . . . . . . . . . . . 34910 1 4 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 88 88 SG . . . . . . . . . . . . 34910 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34910 _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 ; AITCGQVDANLAPCVPFLTQ GGEPGAACCSGVRTLNGNTQ SSDDRRTACNCVKAAANRYP NLKDDAAQSLPSKCGISLTV PISRTVNCDTIS ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9453.610 _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 . ALA . 34910 1 2 . ILE . 34910 1 3 . THR . 34910 1 4 . CYS . 34910 1 5 . GLY . 34910 1 6 . GLN . 34910 1 7 . VAL . 34910 1 8 . ASP . 34910 1 9 . ALA . 34910 1 10 . ASN . 34910 1 11 . LEU . 34910 1 12 . ALA . 34910 1 13 . PRO . 34910 1 14 . CYS . 34910 1 15 . VAL . 34910 1 16 . PRO . 34910 1 17 . PHE . 34910 1 18 . LEU . 34910 1 19 . THR . 34910 1 20 . GLN . 34910 1 21 . GLY . 34910 1 22 . GLY . 34910 1 23 . GLU . 34910 1 24 . PRO . 34910 1 25 . GLY . 34910 1 26 . ALA . 34910 1 27 . ALA . 34910 1 28 . CYS . 34910 1 29 . CYS . 34910 1 30 . SER . 34910 1 31 . GLY . 34910 1 32 . VAL . 34910 1 33 . ARG . 34910 1 34 . THR . 34910 1 35 . LEU . 34910 1 36 . ASN . 34910 1 37 . GLY . 34910 1 38 . ASN . 34910 1 39 . THR . 34910 1 40 . GLN . 34910 1 41 . SER . 34910 1 42 . SER . 34910 1 43 . ASP . 34910 1 44 . ASP . 34910 1 45 . ARG . 34910 1 46 . ARG . 34910 1 47 . THR . 34910 1 48 . ALA . 34910 1 49 . CYS . 34910 1 50 . ASN . 34910 1 51 . CYS . 34910 1 52 . VAL . 34910 1 53 . LYS . 34910 1 54 . ALA . 34910 1 55 . ALA . 34910 1 56 . ALA . 34910 1 57 . ASN . 34910 1 58 . ARG . 34910 1 59 . TYR . 34910 1 60 . PRO . 34910 1 61 . ASN . 34910 1 62 . LEU . 34910 1 63 . LYS . 34910 1 64 . ASP . 34910 1 65 . ASP . 34910 1 66 . ALA . 34910 1 67 . ALA . 34910 1 68 . GLN . 34910 1 69 . SER . 34910 1 70 . LEU . 34910 1 71 . PRO . 34910 1 72 . SER . 34910 1 73 . LYS . 34910 1 74 . CYS . 34910 1 75 . GLY . 34910 1 76 . ILE . 34910 1 77 . SER . 34910 1 78 . LEU . 34910 1 79 . THR . 34910 1 80 . VAL . 34910 1 81 . PRO . 34910 1 82 . ILE . 34910 1 83 . SER . 34910 1 84 . ARG . 34910 1 85 . THR . 34910 1 86 . VAL . 34910 1 87 . ASN . 34910 1 88 . CYS . 34910 1 89 . ASP . 34910 1 90 . THR . 34910 1 91 . ILE . 34910 1 92 . SER . 34910 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 . ALA 1 1 34910 1 . ILE 2 2 34910 1 . THR 3 3 34910 1 . CYS 4 4 34910 1 . GLY 5 5 34910 1 . GLN 6 6 34910 1 . VAL 7 7 34910 1 . ASP 8 8 34910 1 . ALA 9 9 34910 1 . ASN 10 10 34910 1 . LEU 11 11 34910 1 . ALA 12 12 34910 1 . PRO 13 13 34910 1 . CYS 14 14 34910 1 . VAL 15 15 34910 1 . PRO 16 16 34910 1 . PHE 17 17 34910 1 . LEU 18 18 34910 1 . THR 19 19 34910 1 . GLN 20 20 34910 1 . GLY 21 21 34910 1 . GLY 22 22 34910 1 . GLU 23 23 34910 1 . PRO 24 24 34910 1 . GLY 25 25 34910 1 . ALA 26 26 34910 1 . ALA 27 27 34910 1 . CYS 28 28 34910 1 . CYS 29 29 34910 1 . SER 30 30 34910 1 . GLY 31 31 34910 1 . VAL 32 32 34910 1 . ARG 33 33 34910 1 . THR 34 34 34910 1 . LEU 35 35 34910 1 . ASN 36 36 34910 1 . GLY 37 37 34910 1 . ASN 38 38 34910 1 . THR 39 39 34910 1 . GLN 40 40 34910 1 . SER 41 41 34910 1 . SER 42 42 34910 1 . ASP 43 43 34910 1 . ASP 44 44 34910 1 . ARG 45 45 34910 1 . ARG 46 46 34910 1 . THR 47 47 34910 1 . ALA 48 48 34910 1 . CYS 49 49 34910 1 . ASN 50 50 34910 1 . CYS 51 51 34910 1 . VAL 52 52 34910 1 . LYS 53 53 34910 1 . ALA 54 54 34910 1 . ALA 55 55 34910 1 . ALA 56 56 34910 1 . ASN 57 57 34910 1 . ARG 58 58 34910 1 . TYR 59 59 34910 1 . PRO 60 60 34910 1 . ASN 61 61 34910 1 . LEU 62 62 34910 1 . LYS 63 63 34910 1 . ASP 64 64 34910 1 . ASP 65 65 34910 1 . ALA 66 66 34910 1 . ALA 67 67 34910 1 . GLN 68 68 34910 1 . SER 69 69 34910 1 . LEU 70 70 34910 1 . PRO 71 71 34910 1 . SER 72 72 34910 1 . LYS 73 73 34910 1 . CYS 74 74 34910 1 . GLY 75 75 34910 1 . ILE 76 76 34910 1 . SER 77 77 34910 1 . LEU 78 78 34910 1 . THR 79 79 34910 1 . VAL 80 80 34910 1 . PRO 81 81 34910 1 . ILE 82 82 34910 1 . SER 83 83 34910 1 . ARG 84 84 34910 1 . THR 85 85 34910 1 . VAL 86 86 34910 1 . ASN 87 87 34910 1 . CYS 88 88 34910 1 . ASP 89 89 34910 1 . THR 90 90 34910 1 . ILE 91 91 34910 1 . SER 92 92 34910 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 34910 _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 . 4081 organism . 'Solanum lycopersicum' tomato . . Eukaryota Viridiplantae Solanum lycopersicum . . . . . . . . . . . 101259287 . 34910 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 34910 _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' 'Komagataella pastoris' . . 4922 Komagataella pastoris . . . . . . . . . . 34910 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34910 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] rSolal7, 1 % NA DSS, 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 rSolal7 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 34910 1 2 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34910 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34910 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] rSolal7, 1 % NA DSS, 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 rSolal7 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 34910 2 2 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34910 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34910 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] rSolal7, 1 % NA DSS, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 rSolal7 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 34910 3 2 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34910 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 34910 _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 pH 5.5 . pH 34910 1 pressure 1 . atm 34910 1 temperature 298 . K 34910 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34910 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34910 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34910 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34910 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34910 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34910 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34910 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34910 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34910 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34910 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu & Ad Bax' . . 34910 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34910 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34910 _Software.ID 5 _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' . . 34910 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34910 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34910 _Software.ID 6 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34910 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34910 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34910 _Software.ID 7 _Software.Type . _Software.Name PyMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Schrodinger . . 34910 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34910 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 34910 _Software.ID 8 _Software.Type . _Software.Name MOLMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 34910 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34910 8 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 34910 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34910 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 34910 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 34910 _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-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 8 '3D HNCOi' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 9 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 10 '3D HNCAi' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 12 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 13 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 14 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 16 '3D HC(C)-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 17 '3D H(NCOCA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 1 18 '3D (H)N(COCA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34910 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 34910 _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 . . . . . 34910 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34910 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34910 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 34910 _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-1H TOCSY' . . . 34910 1 2 '2D 1H-1H NOESY' . . . 34910 1 3 '2D 1H-1H TOCSY' . . . 34910 1 4 '2D 1H-1H NOESY' . . . 34910 1 5 '2D 1H-15N HSQC' . . . 34910 1 6 '2D 1H-13C HSQC' . . . 34910 1 7 '3D HNCO' . . . 34910 1 8 '3D HNCOi' . . . 34910 1 9 '3D HNCA' . . . 34910 1 10 '3D HNCAi' . . . 34910 1 11 '3D CBCA(CO)NH' . . . 34910 1 12 '3D HNCACB' . . . 34910 1 13 '3D H(CCO)NH' . . . 34910 1 14 '3D (H)CC(CO)NH' . . . 34910 1 15 '3D HCCH-TOCSY' . . . 34910 1 16 '3D HC(C)-TOCSY' . . . 34910 1 17 '3D H(NCOCA)NH' . . . 34910 1 18 '3D (H)N(COCA)NH' . . . 34910 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 1 1 ALA HA H 1 4.237 0.020 . 1 . . . . A 1 ALA HA . 34910 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.436 0.020 . 1 . . . . A 1 ALA HB1 . 34910 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.436 0.020 . 1 . . . . A 1 ALA HB2 . 34910 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.436 0.020 . 1 . . . . A 1 ALA HB3 . 34910 1 5 . 1 . 1 1 1 ALA C C 13 170.633 0.400 . 1 . . . . A 1 ALA C . 34910 1 6 . 1 . 1 1 1 ALA CA C 13 51.702 0.400 . 1 . . . . A 1 ALA CA . 34910 1 7 . 1 . 1 1 1 ALA CB C 13 19.364 0.400 . 1 . . . . A 1 ALA CB . 34910 1 8 . 1 . 1 2 2 ILE H H 1 8.383 0.020 . 1 . . . . A 2 ILE H . 34910 1 9 . 1 . 1 2 2 ILE HA H 1 4.552 0.020 . 1 . . . . A 2 ILE HA . 34910 1 10 . 1 . 1 2 2 ILE HB H 1 1.756 0.020 . 1 . . . . A 2 ILE HB . 34910 1 11 . 1 . 1 2 2 ILE HG12 H 1 1.228 0.020 . 2 . . . . A 2 ILE HG12 . 34910 1 12 . 1 . 1 2 2 ILE HG13 H 1 1.486 0.020 . 2 . . . . A 2 ILE HG13 . 34910 1 13 . 1 . 1 2 2 ILE HG21 H 1 0.713 0.020 . 1 . . . . A 2 ILE HG21 . 34910 1 14 . 1 . 1 2 2 ILE HG22 H 1 0.713 0.020 . 1 . . . . A 2 ILE HG22 . 34910 1 15 . 1 . 1 2 2 ILE HG23 H 1 0.713 0.020 . 1 . . . . A 2 ILE HG23 . 34910 1 16 . 1 . 1 2 2 ILE HD11 H 1 0.696 0.020 . 1 . . . . A 2 ILE HD11 . 34910 1 17 . 1 . 1 2 2 ILE HD12 H 1 0.696 0.020 . 1 . . . . A 2 ILE HD12 . 34910 1 18 . 1 . 1 2 2 ILE HD13 H 1 0.696 0.020 . 1 . . . . A 2 ILE HD13 . 34910 1 19 . 1 . 1 2 2 ILE C C 13 170.812 0.400 . 1 . . . . A 2 ILE C . 34910 1 20 . 1 . 1 2 2 ILE CA C 13 59.957 0.400 . 1 . . . . A 2 ILE CA . 34910 1 21 . 1 . 1 2 2 ILE CB C 13 40.053 0.400 . 1 . . . . A 2 ILE CB . 34910 1 22 . 1 . 1 2 2 ILE CG1 C 13 28.197 0.400 . 1 . . . . A 2 ILE CG1 . 34910 1 23 . 1 . 1 2 2 ILE CG2 C 13 16.885 0.400 . 1 . . . . A 2 ILE CG2 . 34910 1 24 . 1 . 1 2 2 ILE CD1 C 13 13.639 0.400 . 1 . . . . A 2 ILE CD1 . 34910 1 25 . 1 . 1 2 2 ILE N N 15 121.317 0.400 . 1 . . . . A 2 ILE N . 34910 1 26 . 1 . 1 3 3 THR H H 1 7.460 0.020 . 1 . . . . A 3 THR H . 34910 1 27 . 1 . 1 3 3 THR HA H 1 4.734 0.020 . 1 . . . . A 3 THR HA . 34910 1 28 . 1 . 1 3 3 THR HB H 1 4.466 0.020 . 1 . . . . A 3 THR HB . 34910 1 29 . 1 . 1 3 3 THR HG1 H 1 5.591 0.020 . 1 . . . . A 3 THR HG1 . 34910 1 30 . 1 . 1 3 3 THR HG21 H 1 1.133 0.020 . 1 . . . . A 3 THR HG21 . 34910 1 31 . 1 . 1 3 3 THR HG22 H 1 1.133 0.020 . 1 . . . . A 3 THR HG22 . 34910 1 32 . 1 . 1 3 3 THR HG23 H 1 1.133 0.020 . 1 . . . . A 3 THR HG23 . 34910 1 33 . 1 . 1 3 3 THR C C 13 173.148 0.400 . 1 . . . . A 3 THR C . 34910 1 34 . 1 . 1 3 3 THR CA C 13 58.564 0.400 . 1 . . . . A 3 THR CA . 34910 1 35 . 1 . 1 3 3 THR CB C 13 72.166 0.400 . 1 . . . . A 3 THR CB . 34910 1 36 . 1 . 1 3 3 THR CG2 C 13 21.447 0.400 . 1 . . . . A 3 THR CG2 . 34910 1 37 . 1 . 1 3 3 THR N N 15 112.702 0.400 . 1 . . . . A 3 THR N . 34910 1 38 . 1 . 1 4 4 CYS H H 1 9.340 0.020 . 1 . . . . A 4 CYS H . 34910 1 39 . 1 . 1 4 4 CYS HA H 1 4.463 0.020 . 1 . . . . A 4 CYS HA . 34910 1 40 . 1 . 1 4 4 CYS HB2 H 1 2.709 0.020 . 2 . . . . A 4 CYS HB2 . 34910 1 41 . 1 . 1 4 4 CYS HB3 H 1 3.515 0.020 . 2 . . . . A 4 CYS HB3 . 34910 1 42 . 1 . 1 4 4 CYS C C 13 174.493 0.400 . 1 . . . . A 4 CYS C . 34910 1 43 . 1 . 1 4 4 CYS CA C 13 55.031 0.400 . 1 . . . . A 4 CYS CA . 34910 1 44 . 1 . 1 4 4 CYS CB C 13 31.195 0.400 . 1 . . . . A 4 CYS CB . 34910 1 45 . 1 . 1 4 4 CYS N N 15 117.834 0.400 . 1 . . . . A 4 CYS N . 34910 1 46 . 1 . 1 5 5 GLY H H 1 8.625 0.020 . 1 . . . . A 5 GLY H . 34910 1 47 . 1 . 1 5 5 GLY HA2 H 1 3.813 0.020 . 2 . . . . A 5 GLY HA2 . 34910 1 48 . 1 . 1 5 5 GLY HA3 H 1 3.813 0.020 . 2 . . . . A 5 GLY HA3 . 34910 1 49 . 1 . 1 5 5 GLY C C 13 174.486 0.400 . 1 . . . . A 5 GLY C . 34910 1 50 . 1 . 1 5 5 GLY CA C 13 47.252 0.400 . 1 . . . . A 5 GLY CA . 34910 1 51 . 1 . 1 5 5 GLY N N 15 108.870 0.400 . 1 . . . . A 5 GLY N . 34910 1 52 . 1 . 1 6 6 GLN H H 1 7.466 0.020 . 1 . . . . A 6 GLN H . 34910 1 53 . 1 . 1 6 6 GLN HA H 1 4.072 0.020 . 1 . . . . A 6 GLN HA . 34910 1 54 . 1 . 1 6 6 GLN HB2 H 1 2.034 0.020 . 2 . . . . A 6 GLN HB2 . 34910 1 55 . 1 . 1 6 6 GLN HB3 H 1 2.234 0.020 . 2 . . . . A 6 GLN HB3 . 34910 1 56 . 1 . 1 6 6 GLN HG2 H 1 2.292 0.020 . 2 . . . . A 6 GLN HG2 . 34910 1 57 . 1 . 1 6 6 GLN HG3 H 1 2.292 0.020 . 2 . . . . A 6 GLN HG3 . 34910 1 58 . 1 . 1 6 6 GLN HE21 H 1 6.899 0.020 . 2 . . . . A 6 GLN HE21 . 34910 1 59 . 1 . 1 6 6 GLN HE22 H 1 7.471 0.020 . 2 . . . . A 6 GLN HE22 . 34910 1 60 . 1 . 1 6 6 GLN C C 13 175.278 0.400 . 1 . . . . A 6 GLN C . 34910 1 61 . 1 . 1 6 6 GLN CA C 13 58.516 0.400 . 1 . . . . A 6 GLN CA . 34910 1 62 . 1 . 1 6 6 GLN CB C 13 28.954 0.400 . 1 . . . . A 6 GLN CB . 34910 1 63 . 1 . 1 6 6 GLN CG C 13 34.201 0.400 . 1 . . . . A 6 GLN CG . 34910 1 64 . 1 . 1 6 6 GLN N N 15 121.498 0.400 . 1 . . . . A 6 GLN N . 34910 1 65 . 1 . 1 6 6 GLN NE2 N 15 111.156 0.400 . 1 . . . . A 6 GLN NE2 . 34910 1 66 . 1 . 1 7 7 VAL H H 1 7.465 0.020 . 1 . . . . A 7 VAL H . 34910 1 67 . 1 . 1 7 7 VAL HA H 1 3.482 0.020 . 1 . . . . A 7 VAL HA . 34910 1 68 . 1 . 1 7 7 VAL HB H 1 2.131 0.020 . 1 . . . . A 7 VAL HB . 34910 1 69 . 1 . 1 7 7 VAL HG11 H 1 0.774 0.020 . 2 . . . . A 7 VAL HG11 . 34910 1 70 . 1 . 1 7 7 VAL HG12 H 1 0.774 0.020 . 2 . . . . A 7 VAL HG12 . 34910 1 71 . 1 . 1 7 7 VAL HG13 H 1 0.774 0.020 . 2 . . . . A 7 VAL HG13 . 34910 1 72 . 1 . 1 7 7 VAL HG21 H 1 0.950 0.020 . 2 . . . . A 7 VAL HG21 . 34910 1 73 . 1 . 1 7 7 VAL HG22 H 1 0.950 0.020 . 2 . . . . A 7 VAL HG22 . 34910 1 74 . 1 . 1 7 7 VAL HG23 H 1 0.950 0.020 . 2 . . . . A 7 VAL HG23 . 34910 1 75 . 1 . 1 7 7 VAL C C 13 174.602 0.400 . 1 . . . . A 7 VAL C . 34910 1 76 . 1 . 1 7 7 VAL CA C 13 66.818 0.400 . 1 . . . . A 7 VAL CA . 34910 1 77 . 1 . 1 7 7 VAL CB C 13 31.227 0.400 . 1 . . . . A 7 VAL CB . 34910 1 78 . 1 . 1 7 7 VAL CG1 C 13 21.456 0.400 . 2 . . . . A 7 VAL CG1 . 34910 1 79 . 1 . 1 7 7 VAL CG2 C 13 22.496 0.400 . 2 . . . . A 7 VAL CG2 . 34910 1 80 . 1 . 1 7 7 VAL N N 15 120.302 0.400 . 1 . . . . A 7 VAL N . 34910 1 81 . 1 . 1 8 8 ASP H H 1 8.871 0.020 . 1 . . . . A 8 ASP H . 34910 1 82 . 1 . 1 8 8 ASP HA H 1 4.149 0.020 . 1 . . . . A 8 ASP HA . 34910 1 83 . 1 . 1 8 8 ASP HB2 H 1 2.518 0.020 . 2 . . . . A 8 ASP HB2 . 34910 1 84 . 1 . 1 8 8 ASP HB3 H 1 2.665 0.020 . 2 . . . . A 8 ASP HB3 . 34910 1 85 . 1 . 1 8 8 ASP C C 13 176.551 0.400 . 1 . . . . A 8 ASP C . 34910 1 86 . 1 . 1 8 8 ASP CA C 13 57.128 0.400 . 1 . . . . A 8 ASP CA . 34910 1 87 . 1 . 1 8 8 ASP CB C 13 39.949 0.400 . 1 . . . . A 8 ASP CB . 34910 1 88 . 1 . 1 8 8 ASP N N 15 118.993 0.400 . 1 . . . . A 8 ASP N . 34910 1 89 . 1 . 1 9 9 ALA H H 1 7.421 0.020 . 1 . . . . A 9 ALA H . 34910 1 90 . 1 . 1 9 9 ALA HA H 1 4.134 0.020 . 1 . . . . A 9 ALA HA . 34910 1 91 . 1 . 1 9 9 ALA HB1 H 1 1.430 0.020 . 1 . . . . A 9 ALA HB1 . 34910 1 92 . 1 . 1 9 9 ALA HB2 H 1 1.430 0.020 . 1 . . . . A 9 ALA HB2 . 34910 1 93 . 1 . 1 9 9 ALA HB3 H 1 1.430 0.020 . 1 . . . . A 9 ALA HB3 . 34910 1 94 . 1 . 1 9 9 ALA C C 13 177.701 0.400 . 1 . . . . A 9 ALA C . 34910 1 95 . 1 . 1 9 9 ALA CA C 13 54.764 0.400 . 1 . . . . A 9 ALA CA . 34910 1 96 . 1 . 1 9 9 ALA CB C 13 17.837 0.400 . 1 . . . . A 9 ALA CB . 34910 1 97 . 1 . 1 9 9 ALA N N 15 120.848 0.400 . 1 . . . . A 9 ALA N . 34910 1 98 . 1 . 1 10 10 ASN H H 1 8.085 0.020 . 1 . . . . A 10 ASN H . 34910 1 99 . 1 . 1 10 10 ASN HA H 1 4.248 0.020 . 1 . . . . A 10 ASN HA . 34910 1 100 . 1 . 1 10 10 ASN HB2 H 1 2.769 0.020 . 2 . . . . A 10 ASN HB2 . 34910 1 101 . 1 . 1 10 10 ASN HB3 H 1 2.769 0.020 . 2 . . . . A 10 ASN HB3 . 34910 1 102 . 1 . 1 10 10 ASN HD21 H 1 6.377 0.020 . 2 . . . . A 10 ASN HD21 . 34910 1 103 . 1 . 1 10 10 ASN HD22 H 1 6.989 0.020 . 2 . . . . A 10 ASN HD22 . 34910 1 104 . 1 . 1 10 10 ASN C C 13 172.678 0.400 . 1 . . . . A 10 ASN C . 34910 1 105 . 1 . 1 10 10 ASN CA C 13 56.326 0.400 . 1 . . . . A 10 ASN CA . 34910 1 106 . 1 . 1 10 10 ASN CB C 13 39.377 0.400 . 1 . . . . A 10 ASN CB . 34910 1 107 . 1 . 1 10 10 ASN N N 15 116.897 0.400 . 1 . . . . A 10 ASN N . 34910 1 108 . 1 . 1 10 10 ASN ND2 N 15 105.275 0.400 . 1 . . . . A 10 ASN ND2 . 34910 1 109 . 1 . 1 11 11 LEU H H 1 7.743 0.020 . 1 . . . . A 11 LEU H . 34910 1 110 . 1 . 1 11 11 LEU HA H 1 4.159 0.020 . 1 . . . . A 11 LEU HA . 34910 1 111 . 1 . 1 11 11 LEU HB2 H 1 1.361 0.020 . 2 . . . . A 11 LEU HB2 . 34910 1 112 . 1 . 1 11 11 LEU HB3 H 1 1.648 0.020 . 2 . . . . A 11 LEU HB3 . 34910 1 113 . 1 . 1 11 11 LEU HG H 1 1.668 0.020 . 1 . . . . A 11 LEU HG . 34910 1 114 . 1 . 1 11 11 LEU HD11 H 1 0.676 0.020 . 2 . . . . A 11 LEU HD11 . 34910 1 115 . 1 . 1 11 11 LEU HD12 H 1 0.676 0.020 . 2 . . . . A 11 LEU HD12 . 34910 1 116 . 1 . 1 11 11 LEU HD13 H 1 0.676 0.020 . 2 . . . . A 11 LEU HD13 . 34910 1 117 . 1 . 1 11 11 LEU HD21 H 1 0.606 0.020 . 2 . . . . A 11 LEU HD21 . 34910 1 118 . 1 . 1 11 11 LEU HD22 H 1 0.606 0.020 . 2 . . . . A 11 LEU HD22 . 34910 1 119 . 1 . 1 11 11 LEU HD23 H 1 0.606 0.020 . 2 . . . . A 11 LEU HD23 . 34910 1 120 . 1 . 1 11 11 LEU C C 13 176.216 0.400 . 1 . . . . A 11 LEU C . 34910 1 121 . 1 . 1 11 11 LEU CA C 13 54.808 0.400 . 1 . . . . A 11 LEU CA . 34910 1 122 . 1 . 1 11 11 LEU CB C 13 42.815 0.400 . 1 . . . . A 11 LEU CB . 34910 1 123 . 1 . 1 11 11 LEU CG C 13 26.558 0.400 . 1 . . . . A 11 LEU CG . 34910 1 124 . 1 . 1 11 11 LEU CD1 C 13 25.515 0.400 . 2 . . . . A 11 LEU CD1 . 34910 1 125 . 1 . 1 11 11 LEU CD2 C 13 22.593 0.400 . 2 . . . . A 11 LEU CD2 . 34910 1 126 . 1 . 1 11 11 LEU N N 15 111.882 0.400 . 1 . . . . A 11 LEU N . 34910 1 127 . 1 . 1 12 12 ALA H H 1 7.661 0.020 . 1 . . . . A 12 ALA H . 34910 1 128 . 1 . 1 12 12 ALA HA H 1 4.198 0.020 . 1 . . . . A 12 ALA HA . 34910 1 129 . 1 . 1 12 12 ALA HB1 H 1 1.502 0.020 . 1 . . . . A 12 ALA HB1 . 34910 1 130 . 1 . 1 12 12 ALA HB2 H 1 1.502 0.020 . 1 . . . . A 12 ALA HB2 . 34910 1 131 . 1 . 1 12 12 ALA HB3 H 1 1.502 0.020 . 1 . . . . A 12 ALA HB3 . 34910 1 132 . 1 . 1 12 12 ALA C C 13 175.357 0.400 . 1 . . . . A 12 ALA C . 34910 1 133 . 1 . 1 12 12 ALA CA C 13 56.823 0.400 . 1 . . . . A 12 ALA CA . 34910 1 134 . 1 . 1 12 12 ALA CB C 13 15.460 0.400 . 1 . . . . A 12 ALA CB . 34910 1 135 . 1 . 1 12 12 ALA N N 15 123.487 0.400 . 1 . . . . A 12 ALA N . 34910 1 136 . 1 . 1 13 13 PRO HA H 1 4.555 0.020 . 1 . . . . A 13 PRO HA . 34910 1 137 . 1 . 1 13 13 PRO HB2 H 1 1.379 0.020 . 2 . . . . A 13 PRO HB2 . 34910 1 138 . 1 . 1 13 13 PRO HB3 H 1 2.326 0.020 . 2 . . . . A 13 PRO HB3 . 34910 1 139 . 1 . 1 13 13 PRO HG2 H 1 1.864 0.020 . 2 . . . . A 13 PRO HG2 . 34910 1 140 . 1 . 1 13 13 PRO HG3 H 1 1.933 0.020 . 2 . . . . A 13 PRO HG3 . 34910 1 141 . 1 . 1 13 13 PRO HD2 H 1 3.606 0.020 . 2 . . . . A 13 PRO HD2 . 34910 1 142 . 1 . 1 13 13 PRO HD3 H 1 3.754 0.020 . 2 . . . . A 13 PRO HD3 . 34910 1 143 . 1 . 1 13 13 PRO C C 13 175.022 0.400 . 1 . . . . A 13 PRO C . 34910 1 144 . 1 . 1 13 13 PRO CA C 13 64.548 0.400 . 1 . . . . A 13 PRO CA . 34910 1 145 . 1 . 1 13 13 PRO CB C 13 31.032 0.400 . 1 . . . . A 13 PRO CB . 34910 1 146 . 1 . 1 13 13 PRO CG C 13 28.031 0.400 . 1 . . . . A 13 PRO CG . 34910 1 147 . 1 . 1 13 13 PRO CD C 13 50.552 0.400 . 1 . . . . A 13 PRO CD . 34910 1 148 . 1 . 1 14 14 CYS H H 1 8.575 0.020 . 1 . . . . A 14 CYS H . 34910 1 149 . 1 . 1 14 14 CYS HA H 1 4.797 0.020 . 1 . . . . A 14 CYS HA . 34910 1 150 . 1 . 1 14 14 CYS HB2 H 1 3.077 0.020 . 2 . . . . A 14 CYS HB2 . 34910 1 151 . 1 . 1 14 14 CYS HB3 H 1 3.266 0.020 . 2 . . . . A 14 CYS HB3 . 34910 1 152 . 1 . 1 14 14 CYS C C 13 171.803 0.400 . 1 . . . . A 14 CYS C . 34910 1 153 . 1 . 1 14 14 CYS CA C 13 54.230 0.400 . 1 . . . . A 14 CYS CA . 34910 1 154 . 1 . 1 14 14 CYS CB C 13 41.732 0.400 . 1 . . . . A 14 CYS CB . 34910 1 155 . 1 . 1 14 14 CYS N N 15 114.389 0.400 . 1 . . . . A 14 CYS N . 34910 1 156 . 1 . 1 15 15 VAL H H 1 7.618 0.020 . 1 . . . . A 15 VAL H . 34910 1 157 . 1 . 1 15 15 VAL HA H 1 3.216 0.020 . 1 . . . . A 15 VAL HA . 34910 1 158 . 1 . 1 15 15 VAL HB H 1 2.057 0.020 . 1 . . . . A 15 VAL HB . 34910 1 159 . 1 . 1 15 15 VAL HG11 H 1 0.471 0.020 . 2 . . . . A 15 VAL HG11 . 34910 1 160 . 1 . 1 15 15 VAL HG12 H 1 0.471 0.020 . 2 . . . . A 15 VAL HG12 . 34910 1 161 . 1 . 1 15 15 VAL HG13 H 1 0.471 0.020 . 2 . . . . A 15 VAL HG13 . 34910 1 162 . 1 . 1 15 15 VAL HG21 H 1 0.654 0.020 . 2 . . . . A 15 VAL HG21 . 34910 1 163 . 1 . 1 15 15 VAL HG22 H 1 0.654 0.020 . 2 . . . . A 15 VAL HG22 . 34910 1 164 . 1 . 1 15 15 VAL HG23 H 1 0.654 0.020 . 2 . . . . A 15 VAL HG23 . 34910 1 165 . 1 . 1 15 15 VAL CA C 13 69.593 0.400 . 1 . . . . A 15 VAL CA . 34910 1 166 . 1 . 1 15 15 VAL CB C 13 29.321 0.400 . 1 . . . . A 15 VAL CB . 34910 1 167 . 1 . 1 15 15 VAL CG1 C 13 20.929 0.400 . 2 . . . . A 15 VAL CG1 . 34910 1 168 . 1 . 1 15 15 VAL CG2 C 13 23.249 0.400 . 2 . . . . A 15 VAL CG2 . 34910 1 169 . 1 . 1 15 15 VAL N N 15 121.389 0.400 . 1 . . . . A 15 VAL N . 34910 1 170 . 1 . 1 16 16 PRO HA H 1 4.007 0.020 . 1 . . . . A 16 PRO HA . 34910 1 171 . 1 . 1 16 16 PRO HB2 H 1 1.923 0.020 . 2 . . . . A 16 PRO HB2 . 34910 1 172 . 1 . 1 16 16 PRO HB3 H 1 2.246 0.020 . 2 . . . . A 16 PRO HB3 . 34910 1 173 . 1 . 1 16 16 PRO HG2 H 1 1.828 0.020 . 2 . . . . A 16 PRO HG2 . 34910 1 174 . 1 . 1 16 16 PRO HG3 H 1 2.067 0.020 . 2 . . . . A 16 PRO HG3 . 34910 1 175 . 1 . 1 16 16 PRO HD2 H 1 3.526 0.020 . 2 . . . . A 16 PRO HD2 . 34910 1 176 . 1 . 1 16 16 PRO HD3 H 1 3.566 0.020 . 2 . . . . A 16 PRO HD3 . 34910 1 177 . 1 . 1 16 16 PRO C C 13 174.952 0.400 . 1 . . . . A 16 PRO C . 34910 1 178 . 1 . 1 16 16 PRO CA C 13 66.870 0.400 . 1 . . . . A 16 PRO CA . 34910 1 179 . 1 . 1 16 16 PRO CB C 13 30.254 0.400 . 1 . . . . A 16 PRO CB . 34910 1 180 . 1 . 1 16 16 PRO CG C 13 28.373 0.400 . 1 . . . . A 16 PRO CG . 34910 1 181 . 1 . 1 16 16 PRO CD C 13 49.648 0.400 . 1 . . . . A 16 PRO CD . 34910 1 182 . 1 . 1 17 17 PHE H H 1 7.533 0.020 . 1 . . . . A 17 PHE H . 34910 1 183 . 1 . 1 17 17 PHE HA H 1 4.346 0.020 . 1 . . . . A 17 PHE HA . 34910 1 184 . 1 . 1 17 17 PHE HB2 H 1 2.916 0.020 . 2 . . . . A 17 PHE HB2 . 34910 1 185 . 1 . 1 17 17 PHE HB3 H 1 3.261 0.020 . 2 . . . . A 17 PHE HB3 . 34910 1 186 . 1 . 1 17 17 PHE HD1 H 1 6.758 0.020 . 1 . . . . A 17 PHE HD1 . 34910 1 187 . 1 . 1 17 17 PHE HD2 H 1 6.758 0.020 . 1 . . . . A 17 PHE HD2 . 34910 1 188 . 1 . 1 17 17 PHE HE1 H 1 7.248 0.020 . 1 . . . . A 17 PHE HE1 . 34910 1 189 . 1 . 1 17 17 PHE HE2 H 1 7.248 0.020 . 1 . . . . A 17 PHE HE2 . 34910 1 190 . 1 . 1 17 17 PHE HZ H 1 7.273 0.020 . 1 . . . . A 17 PHE HZ . 34910 1 191 . 1 . 1 17 17 PHE C C 13 174.198 0.400 . 1 . . . . A 17 PHE C . 34910 1 192 . 1 . 1 17 17 PHE CA C 13 60.121 0.400 . 1 . . . . A 17 PHE CA . 34910 1 193 . 1 . 1 17 17 PHE CB C 13 39.757 0.400 . 1 . . . . A 17 PHE CB . 34910 1 194 . 1 . 1 17 17 PHE CD1 C 13 131.888 0.400 . 3 . . . . A 17 PHE CD1 . 34910 1 195 . 1 . 1 17 17 PHE CE1 C 13 131.520 0.400 . 3 . . . . A 17 PHE CE1 . 34910 1 196 . 1 . 1 17 17 PHE CZ C 13 129.720 0.400 . 1 . . . . A 17 PHE CZ . 34910 1 197 . 1 . 1 17 17 PHE N N 15 118.764 0.400 . 1 . . . . A 17 PHE N . 34910 1 198 . 1 . 1 18 18 LEU H H 1 8.490 0.020 . 1 . . . . A 18 LEU H . 34910 1 199 . 1 . 1 18 18 LEU HA H 1 3.538 0.020 . 1 . . . . A 18 LEU HA . 34910 1 200 . 1 . 1 18 18 LEU HB2 H 1 1.264 0.020 . 2 . . . . A 18 LEU HB2 . 34910 1 201 . 1 . 1 18 18 LEU HB3 H 1 1.642 0.020 . 2 . . . . A 18 LEU HB3 . 34910 1 202 . 1 . 1 18 18 LEU HG H 1 1.804 0.020 . 1 . . . . A 18 LEU HG . 34910 1 203 . 1 . 1 18 18 LEU HD11 H 1 0.606 0.020 . 2 . . . . A 18 LEU HD11 . 34910 1 204 . 1 . 1 18 18 LEU HD12 H 1 0.606 0.020 . 2 . . . . A 18 LEU HD12 . 34910 1 205 . 1 . 1 18 18 LEU HD13 H 1 0.606 0.020 . 2 . . . . A 18 LEU HD13 . 34910 1 206 . 1 . 1 18 18 LEU HD21 H 1 0.772 0.020 . 2 . . . . A 18 LEU HD21 . 34910 1 207 . 1 . 1 18 18 LEU HD22 H 1 0.772 0.020 . 2 . . . . A 18 LEU HD22 . 34910 1 208 . 1 . 1 18 18 LEU HD23 H 1 0.772 0.020 . 2 . . . . A 18 LEU HD23 . 34910 1 209 . 1 . 1 18 18 LEU C C 13 173.317 0.400 . 1 . . . . A 18 LEU C . 34910 1 210 . 1 . 1 18 18 LEU CA C 13 56.667 0.400 . 1 . . . . A 18 LEU CA . 34910 1 211 . 1 . 1 18 18 LEU CB C 13 42.053 0.400 . 1 . . . . A 18 LEU CB . 34910 1 212 . 1 . 1 18 18 LEU CG C 13 26.500 0.400 . 1 . . . . A 18 LEU CG . 34910 1 213 . 1 . 1 18 18 LEU CD1 C 13 24.872 0.400 . 2 . . . . A 18 LEU CD1 . 34910 1 214 . 1 . 1 18 18 LEU CD2 C 13 22.314 0.400 . 2 . . . . A 18 LEU CD2 . 34910 1 215 . 1 . 1 18 18 LEU N N 15 115.558 0.400 . 1 . . . . A 18 LEU N . 34910 1 216 . 1 . 1 19 19 THR H H 1 7.568 0.020 . 1 . . . . A 19 THR H . 34910 1 217 . 1 . 1 19 19 THR HA H 1 4.504 0.020 . 1 . . . . A 19 THR HA . 34910 1 218 . 1 . 1 19 19 THR HB H 1 4.089 0.020 . 1 . . . . A 19 THR HB . 34910 1 219 . 1 . 1 19 19 THR HG21 H 1 0.876 0.020 . 1 . . . . A 19 THR HG21 . 34910 1 220 . 1 . 1 19 19 THR HG22 H 1 0.876 0.020 . 1 . . . . A 19 THR HG22 . 34910 1 221 . 1 . 1 19 19 THR HG23 H 1 0.876 0.020 . 1 . . . . A 19 THR HG23 . 34910 1 222 . 1 . 1 19 19 THR C C 13 172.933 0.400 . 1 . . . . A 19 THR C . 34910 1 223 . 1 . 1 19 19 THR CA C 13 61.641 0.400 . 1 . . . . A 19 THR CA . 34910 1 224 . 1 . 1 19 19 THR CB C 13 71.156 0.400 . 1 . . . . A 19 THR CB . 34910 1 225 . 1 . 1 19 19 THR CG2 C 13 21.452 0.400 . 1 . . . . A 19 THR CG2 . 34910 1 226 . 1 . 1 19 19 THR N N 15 103.397 0.400 . 1 . . . . A 19 THR N . 34910 1 227 . 1 . 1 20 20 GLN H H 1 8.150 0.020 . 1 . . . . A 20 GLN H . 34910 1 228 . 1 . 1 20 20 GLN HA H 1 4.489 0.020 . 1 . . . . A 20 GLN HA . 34910 1 229 . 1 . 1 20 20 GLN HB2 H 1 2.015 0.020 . 2 . . . . A 20 GLN HB2 . 34910 1 230 . 1 . 1 20 20 GLN HB3 H 1 2.015 0.020 . 2 . . . . A 20 GLN HB3 . 34910 1 231 . 1 . 1 20 20 GLN HG2 H 1 2.254 0.020 . 2 . . . . A 20 GLN HG2 . 34910 1 232 . 1 . 1 20 20 GLN HG3 H 1 2.390 0.020 . 2 . . . . A 20 GLN HG3 . 34910 1 233 . 1 . 1 20 20 GLN HE21 H 1 6.724 0.020 . 2 . . . . A 20 GLN HE21 . 34910 1 234 . 1 . 1 20 20 GLN HE22 H 1 7.236 0.020 . 2 . . . . A 20 GLN HE22 . 34910 1 235 . 1 . 1 20 20 GLN C C 13 174.562 0.400 . 1 . . . . A 20 GLN C . 34910 1 236 . 1 . 1 20 20 GLN CA C 13 55.803 0.400 . 1 . . . . A 20 GLN CA . 34910 1 237 . 1 . 1 20 20 GLN CB C 13 30.888 0.400 . 1 . . . . A 20 GLN CB . 34910 1 238 . 1 . 1 20 20 GLN CG C 13 33.462 0.400 . 1 . . . . A 20 GLN CG . 34910 1 239 . 1 . 1 20 20 GLN N N 15 119.001 0.400 . 1 . . . . A 20 GLN N . 34910 1 240 . 1 . 1 20 20 GLN NE2 N 15 110.629 0.400 . 1 . . . . A 20 GLN NE2 . 34910 1 241 . 1 . 1 21 21 GLY H H 1 8.404 0.020 . 1 . . . . A 21 GLY H . 34910 1 242 . 1 . 1 21 21 GLY HA2 H 1 3.176 0.020 . 2 . . . . A 21 GLY HA2 . 34910 1 243 . 1 . 1 21 21 GLY HA3 H 1 4.007 0.020 . 2 . . . . A 21 GLY HA3 . 34910 1 244 . 1 . 1 21 21 GLY C C 13 170.096 0.400 . 1 . . . . A 21 GLY C . 34910 1 245 . 1 . 1 21 21 GLY CA C 13 44.212 0.400 . 1 . . . . A 21 GLY CA . 34910 1 246 . 1 . 1 21 21 GLY N N 15 111.015 0.400 . 1 . . . . A 21 GLY N . 34910 1 247 . 1 . 1 22 22 GLY H H 1 8.409 0.020 . 1 . . . . A 22 GLY H . 34910 1 248 . 1 . 1 22 22 GLY HA2 H 1 3.601 0.020 . 2 . . . . A 22 GLY HA2 . 34910 1 249 . 1 . 1 22 22 GLY HA3 H 1 4.351 0.020 . 2 . . . . A 22 GLY HA3 . 34910 1 250 . 1 . 1 22 22 GLY C C 13 170.419 0.400 . 1 . . . . A 22 GLY C . 34910 1 251 . 1 . 1 22 22 GLY CA C 13 45.000 0.400 . 1 . . . . A 22 GLY CA . 34910 1 252 . 1 . 1 22 22 GLY N N 15 107.927 0.400 . 1 . . . . A 22 GLY N . 34910 1 253 . 1 . 1 23 23 GLU H H 1 8.430 0.020 . 1 . . . . A 23 GLU H . 34910 1 254 . 1 . 1 23 23 GLU HA H 1 4.762 0.020 . 1 . . . . A 23 GLU HA . 34910 1 255 . 1 . 1 23 23 GLU HB2 H 1 1.599 0.020 . 2 . . . . A 23 GLU HB2 . 34910 1 256 . 1 . 1 23 23 GLU HB3 H 1 1.871 0.020 . 2 . . . . A 23 GLU HB3 . 34910 1 257 . 1 . 1 23 23 GLU HG2 H 1 2.129 0.020 . 2 . . . . A 23 GLU HG2 . 34910 1 258 . 1 . 1 23 23 GLU HG3 H 1 2.184 0.020 . 2 . . . . A 23 GLU HG3 . 34910 1 259 . 1 . 1 23 23 GLU C C 13 172.751 0.400 . 1 . . . . A 23 GLU C . 34910 1 260 . 1 . 1 23 23 GLU CA C 13 52.297 0.400 . 1 . . . . A 23 GLU CA . 34910 1 261 . 1 . 1 23 23 GLU CB C 13 30.473 0.400 . 1 . . . . A 23 GLU CB . 34910 1 262 . 1 . 1 23 23 GLU CG C 13 34.673 0.400 . 1 . . . . A 23 GLU CG . 34910 1 263 . 1 . 1 23 23 GLU N N 15 123.285 0.400 . 1 . . . . A 23 GLU N . 34910 1 264 . 1 . 1 24 24 PRO HA H 1 3.683 0.020 . 1 . . . . A 24 PRO HA . 34910 1 265 . 1 . 1 24 24 PRO HB2 H 1 1.264 0.020 . 2 . . . . A 24 PRO HB2 . 34910 1 266 . 1 . 1 24 24 PRO HB3 H 1 1.581 0.020 . 2 . . . . A 24 PRO HB3 . 34910 1 267 . 1 . 1 24 24 PRO HG2 H 1 0.679 0.020 . 2 . . . . A 24 PRO HG2 . 34910 1 268 . 1 . 1 24 24 PRO HG3 H 1 1.571 0.020 . 2 . . . . A 24 PRO HG3 . 34910 1 269 . 1 . 1 24 24 PRO HD2 H 1 2.587 0.020 . 2 . . . . A 24 PRO HD2 . 34910 1 270 . 1 . 1 24 24 PRO HD3 H 1 3.511 0.020 . 2 . . . . A 24 PRO HD3 . 34910 1 271 . 1 . 1 24 24 PRO C C 13 174.893 0.400 . 1 . . . . A 24 PRO C . 34910 1 272 . 1 . 1 24 24 PRO CA C 13 64.362 0.400 . 1 . . . . A 24 PRO CA . 34910 1 273 . 1 . 1 24 24 PRO CB C 13 31.477 0.400 . 1 . . . . A 24 PRO CB . 34910 1 274 . 1 . 1 24 24 PRO CG C 13 26.501 0.400 . 1 . . . . A 24 PRO CG . 34910 1 275 . 1 . 1 24 24 PRO CD C 13 49.551 0.400 . 1 . . . . A 24 PRO CD . 34910 1 276 . 1 . 1 25 25 GLY H H 1 7.942 0.020 . 1 . . . . A 25 GLY H . 34910 1 277 . 1 . 1 25 25 GLY HA2 H 1 3.668 0.020 . 2 . . . . A 25 GLY HA2 . 34910 1 278 . 1 . 1 25 25 GLY HA3 H 1 4.218 0.020 . 2 . . . . A 25 GLY HA3 . 34910 1 279 . 1 . 1 25 25 GLY C C 13 171.029 0.400 . 1 . . . . A 25 GLY C . 34910 1 280 . 1 . 1 25 25 GLY CA C 13 43.775 0.400 . 1 . . . . A 25 GLY CA . 34910 1 281 . 1 . 1 25 25 GLY N N 15 104.877 0.400 . 1 . . . . A 25 GLY N . 34910 1 282 . 1 . 1 26 26 ALA H H 1 8.289 0.020 . 1 . . . . A 26 ALA H . 34910 1 283 . 1 . 1 26 26 ALA HA H 1 3.897 0.020 . 1 . . . . A 26 ALA HA . 34910 1 284 . 1 . 1 26 26 ALA HB1 H 1 1.335 0.020 . 1 . . . . A 26 ALA HB1 . 34910 1 285 . 1 . 1 26 26 ALA HB2 H 1 1.335 0.020 . 1 . . . . A 26 ALA HB2 . 34910 1 286 . 1 . 1 26 26 ALA HB3 H 1 1.335 0.020 . 1 . . . . A 26 ALA HB3 . 34910 1 287 . 1 . 1 26 26 ALA C C 13 177.766 0.400 . 1 . . . . A 26 ALA C . 34910 1 288 . 1 . 1 26 26 ALA CA C 13 55.349 0.400 . 1 . . . . A 26 ALA CA . 34910 1 289 . 1 . 1 26 26 ALA CB C 13 18.361 0.400 . 1 . . . . A 26 ALA CB . 34910 1 290 . 1 . 1 26 26 ALA N N 15 122.101 0.400 . 1 . . . . A 26 ALA N . 34910 1 291 . 1 . 1 27 27 ALA H H 1 8.561 0.020 . 1 . . . . A 27 ALA H . 34910 1 292 . 1 . 1 27 27 ALA HA H 1 4.110 0.020 . 1 . . . . A 27 ALA HA . 34910 1 293 . 1 . 1 27 27 ALA HB1 H 1 1.393 0.020 . 1 . . . . A 27 ALA HB1 . 34910 1 294 . 1 . 1 27 27 ALA HB2 H 1 1.393 0.020 . 1 . . . . A 27 ALA HB2 . 34910 1 295 . 1 . 1 27 27 ALA HB3 H 1 1.393 0.020 . 1 . . . . A 27 ALA HB3 . 34910 1 296 . 1 . 1 27 27 ALA C C 13 178.393 0.400 . 1 . . . . A 27 ALA C . 34910 1 297 . 1 . 1 27 27 ALA CA C 13 55.203 0.400 . 1 . . . . A 27 ALA CA . 34910 1 298 . 1 . 1 27 27 ALA CB C 13 17.456 0.400 . 1 . . . . A 27 ALA CB . 34910 1 299 . 1 . 1 27 27 ALA N N 15 120.992 0.400 . 1 . . . . A 27 ALA N . 34910 1 300 . 1 . 1 28 28 CYS H H 1 8.394 0.020 . 1 . . . . A 28 CYS H . 34910 1 301 . 1 . 1 28 28 CYS HA H 1 4.299 0.020 . 1 . . . . A 28 CYS HA . 34910 1 302 . 1 . 1 28 28 CYS HB2 H 1 2.713 0.020 . 2 . . . . A 28 CYS HB2 . 34910 1 303 . 1 . 1 28 28 CYS HB3 H 1 2.768 0.020 . 2 . . . . A 28 CYS HB3 . 34910 1 304 . 1 . 1 28 28 CYS C C 13 172.883 0.400 . 1 . . . . A 28 CYS C . 34910 1 305 . 1 . 1 28 28 CYS CA C 13 58.277 0.400 . 1 . . . . A 28 CYS CA . 34910 1 306 . 1 . 1 28 28 CYS CB C 13 37.781 0.400 . 1 . . . . A 28 CYS CB . 34910 1 307 . 1 . 1 28 28 CYS N N 15 117.999 0.400 . 1 . . . . A 28 CYS N . 34910 1 308 . 1 . 1 29 29 CYS H H 1 8.042 0.020 . 1 . . . . A 29 CYS H . 34910 1 309 . 1 . 1 29 29 CYS HA H 1 4.493 0.020 . 1 . . . . A 29 CYS HA . 34910 1 310 . 1 . 1 29 29 CYS HB2 H 1 2.639 0.020 . 2 . . . . A 29 CYS HB2 . 34910 1 311 . 1 . 1 29 29 CYS HB3 H 1 3.027 0.020 . 2 . . . . A 29 CYS HB3 . 34910 1 312 . 1 . 1 29 29 CYS C C 13 174.655 0.400 . 1 . . . . A 29 CYS C . 34910 1 313 . 1 . 1 29 29 CYS CA C 13 55.549 0.400 . 1 . . . . A 29 CYS CA . 34910 1 314 . 1 . 1 29 29 CYS CB C 13 33.130 0.400 . 1 . . . . A 29 CYS CB . 34910 1 315 . 1 . 1 29 29 CYS N N 15 115.598 0.400 . 1 . . . . A 29 CYS N . 34910 1 316 . 1 . 1 30 30 SER H H 1 8.589 0.020 . 1 . . . . A 30 SER H . 34910 1 317 . 1 . 1 30 30 SER HA H 1 4.180 0.020 . 1 . . . . A 30 SER HA . 34910 1 318 . 1 . 1 30 30 SER HB2 H 1 3.915 0.020 . 2 . . . . A 30 SER HB2 . 34910 1 319 . 1 . 1 30 30 SER HB3 H 1 3.915 0.020 . 2 . . . . A 30 SER HB3 . 34910 1 320 . 1 . 1 30 30 SER C C 13 174.450 0.400 . 1 . . . . A 30 SER C . 34910 1 321 . 1 . 1 30 30 SER CA C 13 61.833 0.400 . 1 . . . . A 30 SER CA . 34910 1 322 . 1 . 1 30 30 SER CB C 13 62.822 0.400 . 1 . . . . A 30 SER CB . 34910 1 323 . 1 . 1 30 30 SER N N 15 115.989 0.400 . 1 . . . . A 30 SER N . 34910 1 324 . 1 . 1 31 31 GLY H H 1 8.046 0.020 . 1 . . . . A 31 GLY H . 34910 1 325 . 1 . 1 31 31 GLY HA2 H 1 3.842 0.020 . 2 . . . . A 31 GLY HA2 . 34910 1 326 . 1 . 1 31 31 GLY HA3 H 1 4.527 0.020 . 2 . . . . A 31 GLY HA3 . 34910 1 327 . 1 . 1 31 31 GLY C C 13 173.769 0.400 . 1 . . . . A 31 GLY C . 34910 1 328 . 1 . 1 31 31 GLY CA C 13 47.606 0.400 . 1 . . . . A 31 GLY CA . 34910 1 329 . 1 . 1 31 31 GLY N N 15 113.330 0.400 . 1 . . . . A 31 GLY N . 34910 1 330 . 1 . 1 32 32 VAL H H 1 8.309 0.020 . 1 . . . . A 32 VAL H . 34910 1 331 . 1 . 1 32 32 VAL HA H 1 3.580 0.020 . 1 . . . . A 32 VAL HA . 34910 1 332 . 1 . 1 32 32 VAL HB H 1 2.112 0.020 . 1 . . . . A 32 VAL HB . 34910 1 333 . 1 . 1 32 32 VAL HG11 H 1 0.816 0.020 . 2 . . . . A 32 VAL HG11 . 34910 1 334 . 1 . 1 32 32 VAL HG12 H 1 0.816 0.020 . 2 . . . . A 32 VAL HG12 . 34910 1 335 . 1 . 1 32 32 VAL HG13 H 1 0.816 0.020 . 2 . . . . A 32 VAL HG13 . 34910 1 336 . 1 . 1 32 32 VAL HG21 H 1 0.986 0.020 . 2 . . . . A 32 VAL HG21 . 34910 1 337 . 1 . 1 32 32 VAL HG22 H 1 0.986 0.020 . 2 . . . . A 32 VAL HG22 . 34910 1 338 . 1 . 1 32 32 VAL HG23 H 1 0.986 0.020 . 2 . . . . A 32 VAL HG23 . 34910 1 339 . 1 . 1 32 32 VAL C C 13 175.149 0.400 . 1 . . . . A 32 VAL C . 34910 1 340 . 1 . 1 32 32 VAL CA C 13 66.300 0.400 . 1 . . . . A 32 VAL CA . 34910 1 341 . 1 . 1 32 32 VAL CB C 13 31.040 0.400 . 1 . . . . A 32 VAL CB . 34910 1 342 . 1 . 1 32 32 VAL CG1 C 13 22.638 0.400 . 2 . . . . A 32 VAL CG1 . 34910 1 343 . 1 . 1 32 32 VAL CG2 C 13 23.061 0.400 . 2 . . . . A 32 VAL CG2 . 34910 1 344 . 1 . 1 32 32 VAL N N 15 119.719 0.400 . 1 . . . . A 32 VAL N . 34910 1 345 . 1 . 1 33 33 ARG H H 1 8.206 0.020 . 1 . . . . A 33 ARG H . 34910 1 346 . 1 . 1 33 33 ARG HA H 1 3.806 0.020 . 1 . . . . A 33 ARG HA . 34910 1 347 . 1 . 1 33 33 ARG HB2 H 1 1.916 0.020 . 2 . . . . A 33 ARG HB2 . 34910 1 348 . 1 . 1 33 33 ARG HB3 H 1 1.916 0.020 . 2 . . . . A 33 ARG HB3 . 34910 1 349 . 1 . 1 33 33 ARG HG2 H 1 1.720 0.020 . 2 . . . . A 33 ARG HG2 . 34910 1 350 . 1 . 1 33 33 ARG HG3 H 1 1.720 0.020 . 2 . . . . A 33 ARG HG3 . 34910 1 351 . 1 . 1 33 33 ARG HD2 H 1 3.183 0.020 . 2 . . . . A 33 ARG HD2 . 34910 1 352 . 1 . 1 33 33 ARG HD3 H 1 3.183 0.020 . 2 . . . . A 33 ARG HD3 . 34910 1 353 . 1 . 1 33 33 ARG HE H 1 7.232 0.020 . 1 . . . . A 33 ARG HE . 34910 1 354 . 1 . 1 33 33 ARG C C 13 177.085 0.400 . 1 . . . . A 33 ARG C . 34910 1 355 . 1 . 1 33 33 ARG CA C 13 60.448 0.400 . 1 . . . . A 33 ARG CA . 34910 1 356 . 1 . 1 33 33 ARG CB C 13 29.896 0.400 . 1 . . . . A 33 ARG CB . 34910 1 357 . 1 . 1 33 33 ARG CG C 13 28.324 0.400 . 1 . . . . A 33 ARG CG . 34910 1 358 . 1 . 1 33 33 ARG CD C 13 43.344 0.400 . 1 . . . . A 33 ARG CD . 34910 1 359 . 1 . 1 33 33 ARG N N 15 121.523 0.400 . 1 . . . . A 33 ARG N . 34910 1 360 . 1 . 1 34 34 THR H H 1 8.274 0.020 . 1 . . . . A 34 THR H . 34910 1 361 . 1 . 1 34 34 THR HA H 1 3.811 0.020 . 1 . . . . A 34 THR HA . 34910 1 362 . 1 . 1 34 34 THR HB H 1 4.242 0.020 . 1 . . . . A 34 THR HB . 34910 1 363 . 1 . 1 34 34 THR HG21 H 1 1.142 0.020 . 1 . . . . A 34 THR HG21 . 34910 1 364 . 1 . 1 34 34 THR HG22 H 1 1.142 0.020 . 1 . . . . A 34 THR HG22 . 34910 1 365 . 1 . 1 34 34 THR HG23 H 1 1.142 0.020 . 1 . . . . A 34 THR HG23 . 34910 1 366 . 1 . 1 34 34 THR C C 13 173.626 0.400 . 1 . . . . A 34 THR C . 34910 1 367 . 1 . 1 34 34 THR CA C 13 66.500 0.400 . 1 . . . . A 34 THR CA . 34910 1 368 . 1 . 1 34 34 THR CB C 13 68.275 0.400 . 1 . . . . A 34 THR CB . 34910 1 369 . 1 . 1 34 34 THR CG2 C 13 21.879 0.400 . 1 . . . . A 34 THR CG2 . 34910 1 370 . 1 . 1 34 34 THR N N 15 119.293 0.400 . 1 . . . . A 34 THR N . 34910 1 371 . 1 . 1 35 35 LEU H H 1 8.063 0.020 . 1 . . . . A 35 LEU H . 34910 1 372 . 1 . 1 35 35 LEU HA H 1 3.922 0.020 . 1 . . . . A 35 LEU HA . 34910 1 373 . 1 . 1 35 35 LEU HB2 H 1 1.578 0.020 . 2 . . . . A 35 LEU HB2 . 34910 1 374 . 1 . 1 35 35 LEU HB3 H 1 1.881 0.020 . 2 . . . . A 35 LEU HB3 . 34910 1 375 . 1 . 1 35 35 LEU HG H 1 1.472 0.020 . 1 . . . . A 35 LEU HG . 34910 1 376 . 1 . 1 35 35 LEU HD11 H 1 0.856 0.020 . 2 . . . . A 35 LEU HD11 . 34910 1 377 . 1 . 1 35 35 LEU HD12 H 1 0.856 0.020 . 2 . . . . A 35 LEU HD12 . 34910 1 378 . 1 . 1 35 35 LEU HD13 H 1 0.856 0.020 . 2 . . . . A 35 LEU HD13 . 34910 1 379 . 1 . 1 35 35 LEU HD21 H 1 0.741 0.020 . 2 . . . . A 35 LEU HD21 . 34910 1 380 . 1 . 1 35 35 LEU HD22 H 1 0.741 0.020 . 2 . . . . A 35 LEU HD22 . 34910 1 381 . 1 . 1 35 35 LEU HD23 H 1 0.741 0.020 . 2 . . . . A 35 LEU HD23 . 34910 1 382 . 1 . 1 35 35 LEU C C 13 176.962 0.400 . 1 . . . . A 35 LEU C . 34910 1 383 . 1 . 1 35 35 LEU CA C 13 58.382 0.400 . 1 . . . . A 35 LEU CA . 34910 1 384 . 1 . 1 35 35 LEU CB C 13 41.374 0.400 . 1 . . . . A 35 LEU CB . 34910 1 385 . 1 . 1 35 35 LEU CG C 13 26.896 0.400 . 1 . . . . A 35 LEU CG . 34910 1 386 . 1 . 1 35 35 LEU CD1 C 13 24.623 0.400 . 2 . . . . A 35 LEU CD1 . 34910 1 387 . 1 . 1 35 35 LEU CD2 C 13 25.471 0.400 . 2 . . . . A 35 LEU CD2 . 34910 1 388 . 1 . 1 35 35 LEU N N 15 123.624 0.400 . 1 . . . . A 35 LEU N . 34910 1 389 . 1 . 1 36 36 ASN H H 1 8.381 0.020 . 1 . . . . A 36 ASN H . 34910 1 390 . 1 . 1 36 36 ASN HA H 1 4.234 0.020 . 1 . . . . A 36 ASN HA . 34910 1 391 . 1 . 1 36 36 ASN HB2 H 1 2.660 0.020 . 2 . . . . A 36 ASN HB2 . 34910 1 392 . 1 . 1 36 36 ASN HB3 H 1 2.776 0.020 . 2 . . . . A 36 ASN HB3 . 34910 1 393 . 1 . 1 36 36 ASN HD21 H 1 6.885 0.020 . 2 . . . . A 36 ASN HD21 . 34910 1 394 . 1 . 1 36 36 ASN HD22 H 1 7.669 0.020 . 2 . . . . A 36 ASN HD22 . 34910 1 395 . 1 . 1 36 36 ASN C C 13 175.612 0.400 . 1 . . . . A 36 ASN C . 34910 1 396 . 1 . 1 36 36 ASN CA C 13 56.171 0.400 . 1 . . . . A 36 ASN CA . 34910 1 397 . 1 . 1 36 36 ASN CB C 13 38.963 0.400 . 1 . . . . A 36 ASN CB . 34910 1 398 . 1 . 1 36 36 ASN N N 15 117.598 0.400 . 1 . . . . A 36 ASN N . 34910 1 399 . 1 . 1 36 36 ASN ND2 N 15 112.800 0.400 . 1 . . . . A 36 ASN ND2 . 34910 1 400 . 1 . 1 37 37 GLY H H 1 7.982 0.020 . 1 . . . . A 37 GLY H . 34910 1 401 . 1 . 1 37 37 GLY HA2 H 1 3.900 0.020 . 2 . . . . A 37 GLY HA2 . 34910 1 402 . 1 . 1 37 37 GLY HA3 H 1 3.900 0.020 . 2 . . . . A 37 GLY HA3 . 34910 1 403 . 1 . 1 37 37 GLY C C 13 172.038 0.400 . 1 . . . . A 37 GLY C . 34910 1 404 . 1 . 1 37 37 GLY CA C 13 46.441 0.400 . 1 . . . . A 37 GLY CA . 34910 1 405 . 1 . 1 37 37 GLY N N 15 105.782 0.400 . 1 . . . . A 37 GLY N . 34910 1 406 . 1 . 1 38 38 ASN H H 1 7.538 0.020 . 1 . . . . A 38 ASN H . 34910 1 407 . 1 . 1 38 38 ASN HA H 1 4.978 0.020 . 1 . . . . A 38 ASN HA . 34910 1 408 . 1 . 1 38 38 ASN HB2 H 1 2.622 0.020 . 2 . . . . A 38 ASN HB2 . 34910 1 409 . 1 . 1 38 38 ASN HB3 H 1 3.010 0.020 . 2 . . . . A 38 ASN HB3 . 34910 1 410 . 1 . 1 38 38 ASN HD21 H 1 6.859 0.020 . 2 . . . . A 38 ASN HD21 . 34910 1 411 . 1 . 1 38 38 ASN HD22 H 1 7.628 0.020 . 2 . . . . A 38 ASN HD22 . 34910 1 412 . 1 . 1 38 38 ASN C C 13 172.185 0.400 . 1 . . . . A 38 ASN C . 34910 1 413 . 1 . 1 38 38 ASN CA C 13 53.008 0.400 . 1 . . . . A 38 ASN CA . 34910 1 414 . 1 . 1 38 38 ASN CB C 13 39.672 0.400 . 1 . . . . A 38 ASN CB . 34910 1 415 . 1 . 1 38 38 ASN N N 15 116.919 0.400 . 1 . . . . A 38 ASN N . 34910 1 416 . 1 . 1 38 38 ASN ND2 N 15 112.400 0.400 . 1 . . . . A 38 ASN ND2 . 34910 1 417 . 1 . 1 39 39 THR H H 1 7.332 0.020 . 1 . . . . A 39 THR H . 34910 1 418 . 1 . 1 39 39 THR HA H 1 4.302 0.020 . 1 . . . . A 39 THR HA . 34910 1 419 . 1 . 1 39 39 THR HB H 1 4.161 0.020 . 1 . . . . A 39 THR HB . 34910 1 420 . 1 . 1 39 39 THR HG21 H 1 0.873 0.020 . 1 . . . . A 39 THR HG21 . 34910 1 421 . 1 . 1 39 39 THR HG22 H 1 0.873 0.020 . 1 . . . . A 39 THR HG22 . 34910 1 422 . 1 . 1 39 39 THR HG23 H 1 0.873 0.020 . 1 . . . . A 39 THR HG23 . 34910 1 423 . 1 . 1 39 39 THR C C 13 173.990 0.400 . 1 . . . . A 39 THR C . 34910 1 424 . 1 . 1 39 39 THR CA C 13 60.041 0.400 . 1 . . . . A 39 THR CA . 34910 1 425 . 1 . 1 39 39 THR CB C 13 67.819 0.400 . 1 . . . . A 39 THR CB . 34910 1 426 . 1 . 1 39 39 THR CG2 C 13 22.508 0.400 . 1 . . . . A 39 THR CG2 . 34910 1 427 . 1 . 1 39 39 THR N N 15 109.944 0.400 . 1 . . . . A 39 THR N . 34910 1 428 . 1 . 1 40 40 GLN H H 1 8.375 0.020 . 1 . . . . A 40 GLN H . 34910 1 429 . 1 . 1 40 40 GLN HA H 1 4.218 0.020 . 1 . . . . A 40 GLN HA . 34910 1 430 . 1 . 1 40 40 GLN HB2 H 1 1.899 0.020 . 2 . . . . A 40 GLN HB2 . 34910 1 431 . 1 . 1 40 40 GLN HB3 H 1 2.192 0.020 . 2 . . . . A 40 GLN HB3 . 34910 1 432 . 1 . 1 40 40 GLN HG2 H 1 2.284 0.020 . 2 . . . . A 40 GLN HG2 . 34910 1 433 . 1 . 1 40 40 GLN HG3 H 1 2.324 0.020 . 2 . . . . A 40 GLN HG3 . 34910 1 434 . 1 . 1 40 40 GLN HE21 H 1 6.782 0.020 . 2 . . . . A 40 GLN HE21 . 34910 1 435 . 1 . 1 40 40 GLN HE22 H 1 7.373 0.020 . 2 . . . . A 40 GLN HE22 . 34910 1 436 . 1 . 1 40 40 GLN C C 13 173.640 0.400 . 1 . . . . A 40 GLN C . 34910 1 437 . 1 . 1 40 40 GLN CA C 13 56.712 0.400 . 1 . . . . A 40 GLN CA . 34910 1 438 . 1 . 1 40 40 GLN CB C 13 29.672 0.400 . 1 . . . . A 40 GLN CB . 34910 1 439 . 1 . 1 40 40 GLN CG C 13 33.792 0.400 . 1 . . . . A 40 GLN CG . 34910 1 440 . 1 . 1 40 40 GLN N N 15 120.591 0.400 . 1 . . . . A 40 GLN N . 34910 1 441 . 1 . 1 40 40 GLN NE2 N 15 113.385 0.400 . 1 . . . . A 40 GLN NE2 . 34910 1 442 . 1 . 1 41 41 SER H H 1 8.239 0.020 . 1 . . . . A 41 SER H . 34910 1 443 . 1 . 1 41 41 SER HA H 1 4.476 0.020 . 1 . . . . A 41 SER HA . 34910 1 444 . 1 . 1 41 41 SER HB2 H 1 3.907 0.020 . 2 . . . . A 41 SER HB2 . 34910 1 445 . 1 . 1 41 41 SER HB3 H 1 4.195 0.020 . 2 . . . . A 41 SER HB3 . 34910 1 446 . 1 . 1 41 41 SER C C 13 172.385 0.400 . 1 . . . . A 41 SER C . 34910 1 447 . 1 . 1 41 41 SER CA C 13 56.428 0.400 . 1 . . . . A 41 SER CA . 34910 1 448 . 1 . 1 41 41 SER CB C 13 65.731 0.400 . 1 . . . . A 41 SER CB . 34910 1 449 . 1 . 1 41 41 SER N N 15 114.495 0.400 . 1 . . . . A 41 SER N . 34910 1 450 . 1 . 1 42 42 SER H H 1 9.026 0.020 . 1 . . . . A 42 SER H . 34910 1 451 . 1 . 1 42 42 SER HA H 1 4.234 0.020 . 1 . . . . A 42 SER HA . 34910 1 452 . 1 . 1 42 42 SER HB2 H 1 3.855 0.020 . 2 . . . . A 42 SER HB2 . 34910 1 453 . 1 . 1 42 42 SER HB3 H 1 3.977 0.020 . 2 . . . . A 42 SER HB3 . 34910 1 454 . 1 . 1 42 42 SER C C 13 173.954 0.400 . 1 . . . . A 42 SER C . 34910 1 455 . 1 . 1 42 42 SER CA C 13 62.146 0.400 . 1 . . . . A 42 SER CA . 34910 1 456 . 1 . 1 42 42 SER CB C 13 62.378 0.400 . 1 . . . . A 42 SER CB . 34910 1 457 . 1 . 1 42 42 SER N N 15 118.809 0.400 . 1 . . . . A 42 SER N . 34910 1 458 . 1 . 1 43 43 ASP H H 1 8.357 0.020 . 1 . . . . A 43 ASP H . 34910 1 459 . 1 . 1 43 43 ASP HA H 1 4.339 0.020 . 1 . . . . A 43 ASP HA . 34910 1 460 . 1 . 1 43 43 ASP HB2 H 1 2.503 0.020 . 2 . . . . A 43 ASP HB2 . 34910 1 461 . 1 . 1 43 43 ASP HB3 H 1 2.595 0.020 . 2 . . . . A 43 ASP HB3 . 34910 1 462 . 1 . 1 43 43 ASP C C 13 174.814 0.400 . 1 . . . . A 43 ASP C . 34910 1 463 . 1 . 1 43 43 ASP CA C 13 57.401 0.400 . 1 . . . . A 43 ASP CA . 34910 1 464 . 1 . 1 43 43 ASP CB C 13 40.352 0.400 . 1 . . . . A 43 ASP CB . 34910 1 465 . 1 . 1 43 43 ASP N N 15 120.198 0.400 . 1 . . . . A 43 ASP N . 34910 1 466 . 1 . 1 44 44 ASP H H 1 7.755 0.020 . 1 . . . . A 44 ASP H . 34910 1 467 . 1 . 1 44 44 ASP HA H 1 3.811 0.020 . 1 . . . . A 44 ASP HA . 34910 1 468 . 1 . 1 44 44 ASP HB2 H 1 2.713 0.020 . 2 . . . . A 44 ASP HB2 . 34910 1 469 . 1 . 1 44 44 ASP HB3 H 1 2.713 0.020 . 2 . . . . A 44 ASP HB3 . 34910 1 470 . 1 . 1 44 44 ASP C C 13 175.589 0.400 . 1 . . . . A 44 ASP C . 34910 1 471 . 1 . 1 44 44 ASP CA C 13 57.296 0.400 . 1 . . . . A 44 ASP CA . 34910 1 472 . 1 . 1 44 44 ASP CB C 13 40.184 0.400 . 1 . . . . A 44 ASP CB . 34910 1 473 . 1 . 1 44 44 ASP N N 15 120.209 0.400 . 1 . . . . A 44 ASP N . 34910 1 474 . 1 . 1 45 45 ARG H H 1 8.271 0.020 . 1 . . . . A 45 ARG H . 34910 1 475 . 1 . 1 45 45 ARG HA H 1 3.666 0.020 . 1 . . . . A 45 ARG HA . 34910 1 476 . 1 . 1 45 45 ARG HB2 H 1 1.645 0.020 . 2 . . . . A 45 ARG HB2 . 34910 1 477 . 1 . 1 45 45 ARG HB3 H 1 1.645 0.020 . 2 . . . . A 45 ARG HB3 . 34910 1 478 . 1 . 1 45 45 ARG HG2 H 1 1.611 0.020 . 2 . . . . A 45 ARG HG2 . 34910 1 479 . 1 . 1 45 45 ARG HG3 H 1 1.611 0.020 . 2 . . . . A 45 ARG HG3 . 34910 1 480 . 1 . 1 45 45 ARG HD2 H 1 3.014 0.020 . 2 . . . . A 45 ARG HD2 . 34910 1 481 . 1 . 1 45 45 ARG HD3 H 1 3.130 0.020 . 2 . . . . A 45 ARG HD3 . 34910 1 482 . 1 . 1 45 45 ARG HE H 1 7.683 0.020 . 1 . . . . A 45 ARG HE . 34910 1 483 . 1 . 1 45 45 ARG C C 13 175.307 0.400 . 1 . . . . A 45 ARG C . 34910 1 484 . 1 . 1 45 45 ARG CA C 13 60.759 0.400 . 1 . . . . A 45 ARG CA . 34910 1 485 . 1 . 1 45 45 ARG CB C 13 30.128 0.400 . 1 . . . . A 45 ARG CB . 34910 1 486 . 1 . 1 45 45 ARG CG C 13 29.066 0.400 . 1 . . . . A 45 ARG CG . 34910 1 487 . 1 . 1 45 45 ARG CD C 13 43.541 0.400 . 1 . . . . A 45 ARG CD . 34910 1 488 . 1 . 1 45 45 ARG N N 15 120.223 0.400 . 1 . . . . A 45 ARG N . 34910 1 489 . 1 . 1 46 46 ARG H H 1 8.030 0.020 . 1 . . . . A 46 ARG H . 34910 1 490 . 1 . 1 46 46 ARG HA H 1 3.838 0.020 . 1 . . . . A 46 ARG HA . 34910 1 491 . 1 . 1 46 46 ARG HB2 H 1 1.905 0.020 . 2 . . . . A 46 ARG HB2 . 34910 1 492 . 1 . 1 46 46 ARG HB3 H 1 1.905 0.020 . 2 . . . . A 46 ARG HB3 . 34910 1 493 . 1 . 1 46 46 ARG HG2 H 1 1.668 0.020 . 2 . . . . A 46 ARG HG2 . 34910 1 494 . 1 . 1 46 46 ARG HG3 H 1 1.668 0.020 . 2 . . . . A 46 ARG HG3 . 34910 1 495 . 1 . 1 46 46 ARG HD2 H 1 3.239 0.020 . 2 . . . . A 46 ARG HD2 . 34910 1 496 . 1 . 1 46 46 ARG HD3 H 1 3.239 0.020 . 2 . . . . A 46 ARG HD3 . 34910 1 497 . 1 . 1 46 46 ARG HE H 1 7.207 0.020 . 1 . . . . A 46 ARG HE . 34910 1 498 . 1 . 1 46 46 ARG C C 13 176.023 0.400 . 1 . . . . A 46 ARG C . 34910 1 499 . 1 . 1 46 46 ARG CA C 13 60.785 0.400 . 1 . . . . A 46 ARG CA . 34910 1 500 . 1 . 1 46 46 ARG CB C 13 29.909 0.400 . 1 . . . . A 46 ARG CB . 34910 1 501 . 1 . 1 46 46 ARG CG C 13 27.987 0.400 . 1 . . . . A 46 ARG CG . 34910 1 502 . 1 . 1 46 46 ARG CD C 13 43.441 0.400 . 1 . . . . A 46 ARG CD . 34910 1 503 . 1 . 1 46 46 ARG N N 15 120.186 0.400 . 1 . . . . A 46 ARG N . 34910 1 504 . 1 . 1 47 47 THR H H 1 8.291 0.020 . 1 . . . . A 47 THR H . 34910 1 505 . 1 . 1 47 47 THR HA H 1 3.932 0.020 . 1 . . . . A 47 THR HA . 34910 1 506 . 1 . 1 47 47 THR HB H 1 4.098 0.020 . 1 . . . . A 47 THR HB . 34910 1 507 . 1 . 1 47 47 THR HG21 H 1 1.123 0.020 . 1 . . . . A 47 THR HG21 . 34910 1 508 . 1 . 1 47 47 THR HG22 H 1 1.123 0.020 . 1 . . . . A 47 THR HG22 . 34910 1 509 . 1 . 1 47 47 THR HG23 H 1 1.123 0.020 . 1 . . . . A 47 THR HG23 . 34910 1 510 . 1 . 1 47 47 THR C C 13 174.224 0.400 . 1 . . . . A 47 THR C . 34910 1 511 . 1 . 1 47 47 THR CA C 13 66.515 0.400 . 1 . . . . A 47 THR CA . 34910 1 512 . 1 . 1 47 47 THR CB C 13 68.553 0.400 . 1 . . . . A 47 THR CB . 34910 1 513 . 1 . 1 47 47 THR CG2 C 13 22.018 0.400 . 1 . . . . A 47 THR CG2 . 34910 1 514 . 1 . 1 47 47 THR N N 15 117.100 0.400 . 1 . . . . A 47 THR N . 34910 1 515 . 1 . 1 48 48 ALA H H 1 8.912 0.020 . 1 . . . . A 48 ALA H . 34910 1 516 . 1 . 1 48 48 ALA HA H 1 3.619 0.020 . 1 . . . . A 48 ALA HA . 34910 1 517 . 1 . 1 48 48 ALA HB1 H 1 1.345 0.020 . 1 . . . . A 48 ALA HB1 . 34910 1 518 . 1 . 1 48 48 ALA HB2 H 1 1.345 0.020 . 1 . . . . A 48 ALA HB2 . 34910 1 519 . 1 . 1 48 48 ALA HB3 H 1 1.345 0.020 . 1 . . . . A 48 ALA HB3 . 34910 1 520 . 1 . 1 48 48 ALA C C 13 175.550 0.400 . 1 . . . . A 48 ALA C . 34910 1 521 . 1 . 1 48 48 ALA CA C 13 55.941 0.400 . 1 . . . . A 48 ALA CA . 34910 1 522 . 1 . 1 48 48 ALA CB C 13 18.678 0.400 . 1 . . . . A 48 ALA CB . 34910 1 523 . 1 . 1 48 48 ALA N N 15 122.127 0.400 . 1 . . . . A 48 ALA N . 34910 1 524 . 1 . 1 49 49 CYS H H 1 8.593 0.020 . 1 . . . . A 49 CYS H . 34910 1 525 . 1 . 1 49 49 CYS HA H 1 3.961 0.020 . 1 . . . . A 49 CYS HA . 34910 1 526 . 1 . 1 49 49 CYS HB2 H 1 2.877 0.020 . 2 . . . . A 49 CYS HB2 . 34910 1 527 . 1 . 1 49 49 CYS HB3 H 1 3.580 0.020 . 2 . . . . A 49 CYS HB3 . 34910 1 528 . 1 . 1 49 49 CYS C C 13 172.761 0.400 . 1 . . . . A 49 CYS C . 34910 1 529 . 1 . 1 49 49 CYS CA C 13 60.601 0.400 . 1 . . . . A 49 CYS CA . 34910 1 530 . 1 . 1 49 49 CYS CB C 13 35.813 0.400 . 1 . . . . A 49 CYS CB . 34910 1 531 . 1 . 1 49 49 CYS N N 15 117.421 0.400 . 1 . . . . A 49 CYS N . 34910 1 532 . 1 . 1 50 50 ASN H H 1 7.913 0.020 . 1 . . . . A 50 ASN H . 34910 1 533 . 1 . 1 50 50 ASN HA H 1 4.397 0.020 . 1 . . . . A 50 ASN HA . 34910 1 534 . 1 . 1 50 50 ASN HB2 H 1 2.676 0.020 . 2 . . . . A 50 ASN HB2 . 34910 1 535 . 1 . 1 50 50 ASN HB3 H 1 2.903 0.020 . 2 . . . . A 50 ASN HB3 . 34910 1 536 . 1 . 1 50 50 ASN HD21 H 1 7.284 0.020 . 2 . . . . A 50 ASN HD21 . 34910 1 537 . 1 . 1 50 50 ASN HD22 H 1 7.239 0.020 . 2 . . . . A 50 ASN HD22 . 34910 1 538 . 1 . 1 50 50 ASN C C 13 176.310 0.400 . 1 . . . . A 50 ASN C . 34910 1 539 . 1 . 1 50 50 ASN CA C 13 57.033 0.400 . 1 . . . . A 50 ASN CA . 34910 1 540 . 1 . 1 50 50 ASN CB C 13 38.694 0.400 . 1 . . . . A 50 ASN CB . 34910 1 541 . 1 . 1 50 50 ASN N N 15 119.432 0.400 . 1 . . . . A 50 ASN N . 34910 1 542 . 1 . 1 50 50 ASN ND2 N 15 114.986 0.400 . 1 . . . . A 50 ASN ND2 . 34910 1 543 . 1 . 1 51 51 CYS H H 1 8.289 0.020 . 1 . . . . A 51 CYS H . 34910 1 544 . 1 . 1 51 51 CYS HA H 1 4.401 0.020 . 1 . . . . A 51 CYS HA . 34910 1 545 . 1 . 1 51 51 CYS HB2 H 1 2.975 0.020 . 2 . . . . A 51 CYS HB2 . 34910 1 546 . 1 . 1 51 51 CYS HB3 H 1 2.975 0.020 . 2 . . . . A 51 CYS HB3 . 34910 1 547 . 1 . 1 51 51 CYS C C 13 175.178 0.400 . 1 . . . . A 51 CYS C . 34910 1 548 . 1 . 1 51 51 CYS CA C 13 56.430 0.400 . 1 . . . . A 51 CYS CA . 34910 1 549 . 1 . 1 51 51 CYS CB C 13 37.011 0.400 . 1 . . . . A 51 CYS CB . 34910 1 550 . 1 . 1 51 51 CYS N N 15 119.167 0.400 . 1 . . . . A 51 CYS N . 34910 1 551 . 1 . 1 52 52 VAL H H 1 9.186 0.020 . 1 . . . . A 52 VAL H . 34910 1 552 . 1 . 1 52 52 VAL HA H 1 3.356 0.020 . 1 . . . . A 52 VAL HA . 34910 1 553 . 1 . 1 52 52 VAL HB H 1 2.223 0.020 . 1 . . . . A 52 VAL HB . 34910 1 554 . 1 . 1 52 52 VAL HG11 H 1 0.864 0.020 . 2 . . . . A 52 VAL HG11 . 34910 1 555 . 1 . 1 52 52 VAL HG12 H 1 0.864 0.020 . 2 . . . . A 52 VAL HG12 . 34910 1 556 . 1 . 1 52 52 VAL HG13 H 1 0.864 0.020 . 2 . . . . A 52 VAL HG13 . 34910 1 557 . 1 . 1 52 52 VAL HG21 H 1 0.937 0.020 . 2 . . . . A 52 VAL HG21 . 34910 1 558 . 1 . 1 52 52 VAL HG22 H 1 0.937 0.020 . 2 . . . . A 52 VAL HG22 . 34910 1 559 . 1 . 1 52 52 VAL HG23 H 1 0.937 0.020 . 2 . . . . A 52 VAL HG23 . 34910 1 560 . 1 . 1 52 52 VAL C C 13 173.799 0.400 . 1 . . . . A 52 VAL C . 34910 1 561 . 1 . 1 52 52 VAL CA C 13 66.895 0.400 . 1 . . . . A 52 VAL CA . 34910 1 562 . 1 . 1 52 52 VAL CB C 13 31.133 0.400 . 1 . . . . A 52 VAL CB . 34910 1 563 . 1 . 1 52 52 VAL CG1 C 13 23.692 0.400 . 2 . . . . A 52 VAL CG1 . 34910 1 564 . 1 . 1 52 52 VAL CG2 C 13 23.271 0.400 . 2 . . . . A 52 VAL CG2 . 34910 1 565 . 1 . 1 52 52 VAL N N 15 124.650 0.400 . 1 . . . . A 52 VAL N . 34910 1 566 . 1 . 1 53 53 LYS H H 1 8.529 0.020 . 1 . . . . A 53 LYS H . 34910 1 567 . 1 . 1 53 53 LYS HA H 1 4.124 0.020 . 1 . . . . A 53 LYS HA . 34910 1 568 . 1 . 1 53 53 LYS HB2 H 1 1.775 0.020 . 2 . . . . A 53 LYS HB2 . 34910 1 569 . 1 . 1 53 53 LYS HB3 H 1 1.852 0.020 . 2 . . . . A 53 LYS HB3 . 34910 1 570 . 1 . 1 53 53 LYS HG2 H 1 1.211 0.020 . 2 . . . . A 53 LYS HG2 . 34910 1 571 . 1 . 1 53 53 LYS HG3 H 1 1.435 0.020 . 2 . . . . A 53 LYS HG3 . 34910 1 572 . 1 . 1 53 53 LYS HD2 H 1 1.799 0.020 . 2 . . . . A 53 LYS HD2 . 34910 1 573 . 1 . 1 53 53 LYS HD3 H 1 1.799 0.020 . 2 . . . . A 53 LYS HD3 . 34910 1 574 . 1 . 1 53 53 LYS HE2 H 1 2.780 0.020 . 2 . . . . A 53 LYS HE2 . 34910 1 575 . 1 . 1 53 53 LYS HE3 H 1 2.888 0.020 . 2 . . . . A 53 LYS HE3 . 34910 1 576 . 1 . 1 53 53 LYS C C 13 176.686 0.400 . 1 . . . . A 53 LYS C . 34910 1 577 . 1 . 1 53 53 LYS CA C 13 59.466 0.400 . 1 . . . . A 53 LYS CA . 34910 1 578 . 1 . 1 53 53 LYS CB C 13 33.406 0.400 . 1 . . . . A 53 LYS CB . 34910 1 579 . 1 . 1 53 53 LYS CG C 13 24.788 0.400 . 1 . . . . A 53 LYS CG . 34910 1 580 . 1 . 1 53 53 LYS CD C 13 29.927 0.400 . 1 . . . . A 53 LYS CD . 34910 1 581 . 1 . 1 53 53 LYS CE C 13 42.678 0.400 . 1 . . . . A 53 LYS CE . 34910 1 582 . 1 . 1 53 53 LYS N N 15 121.616 0.400 . 1 . . . . A 53 LYS N . 34910 1 583 . 1 . 1 54 54 ALA H H 1 7.619 0.020 . 1 . . . . A 54 ALA H . 34910 1 584 . 1 . 1 54 54 ALA HA H 1 4.079 0.020 . 1 . . . . A 54 ALA HA . 34910 1 585 . 1 . 1 54 54 ALA HB1 H 1 1.434 0.020 . 1 . . . . A 54 ALA HB1 . 34910 1 586 . 1 . 1 54 54 ALA HB2 H 1 1.434 0.020 . 1 . . . . A 54 ALA HB2 . 34910 1 587 . 1 . 1 54 54 ALA HB3 H 1 1.434 0.020 . 1 . . . . A 54 ALA HB3 . 34910 1 588 . 1 . 1 54 54 ALA C C 13 177.900 0.400 . 1 . . . . A 54 ALA C . 34910 1 589 . 1 . 1 54 54 ALA CA C 13 54.917 0.400 . 1 . . . . A 54 ALA CA . 34910 1 590 . 1 . 1 54 54 ALA CB C 13 17.790 0.400 . 1 . . . . A 54 ALA CB . 34910 1 591 . 1 . 1 54 54 ALA N N 15 120.337 0.400 . 1 . . . . A 54 ALA N . 34910 1 592 . 1 . 1 55 55 ALA H H 1 7.778 0.020 . 1 . . . . A 55 ALA H . 34910 1 593 . 1 . 1 55 55 ALA HA H 1 3.743 0.020 . 1 . . . . A 55 ALA HA . 34910 1 594 . 1 . 1 55 55 ALA HB1 H 1 1.330 0.020 . 1 . . . . A 55 ALA HB1 . 34910 1 595 . 1 . 1 55 55 ALA HB2 H 1 1.330 0.020 . 1 . . . . A 55 ALA HB2 . 34910 1 596 . 1 . 1 55 55 ALA HB3 H 1 1.330 0.020 . 1 . . . . A 55 ALA HB3 . 34910 1 597 . 1 . 1 55 55 ALA C C 13 176.493 0.400 . 1 . . . . A 55 ALA C . 34910 1 598 . 1 . 1 55 55 ALA CA C 13 54.863 0.400 . 1 . . . . A 55 ALA CA . 34910 1 599 . 1 . 1 55 55 ALA CB C 13 17.398 0.400 . 1 . . . . A 55 ALA CB . 34910 1 600 . 1 . 1 55 55 ALA N N 15 121.594 0.400 . 1 . . . . A 55 ALA N . 34910 1 601 . 1 . 1 56 56 ALA H H 1 8.901 0.020 . 1 . . . . A 56 ALA H . 34910 1 602 . 1 . 1 56 56 ALA HA H 1 3.681 0.020 . 1 . . . . A 56 ALA HA . 34910 1 603 . 1 . 1 56 56 ALA HB1 H 1 1.152 0.020 . 1 . . . . A 56 ALA HB1 . 34910 1 604 . 1 . 1 56 56 ALA HB2 H 1 1.152 0.020 . 1 . . . . A 56 ALA HB2 . 34910 1 605 . 1 . 1 56 56 ALA HB3 H 1 1.152 0.020 . 1 . . . . A 56 ALA HB3 . 34910 1 606 . 1 . 1 56 56 ALA C C 13 176.545 0.400 . 1 . . . . A 56 ALA C . 34910 1 607 . 1 . 1 56 56 ALA CA C 13 54.669 0.400 . 1 . . . . A 56 ALA CA . 34910 1 608 . 1 . 1 56 56 ALA CB C 13 17.069 0.400 . 1 . . . . A 56 ALA CB . 34910 1 609 . 1 . 1 56 56 ALA N N 15 118.452 0.400 . 1 . . . . A 56 ALA N . 34910 1 610 . 1 . 1 57 57 ASN H H 1 7.528 0.020 . 1 . . . . A 57 ASN H . 34910 1 611 . 1 . 1 57 57 ASN HA H 1 4.338 0.020 . 1 . . . . A 57 ASN HA . 34910 1 612 . 1 . 1 57 57 ASN HB2 H 1 2.673 0.020 . 2 . . . . A 57 ASN HB2 . 34910 1 613 . 1 . 1 57 57 ASN HB3 H 1 2.673 0.020 . 2 . . . . A 57 ASN HB3 . 34910 1 614 . 1 . 1 57 57 ASN HD21 H 1 6.721 0.020 . 2 . . . . A 57 ASN HD21 . 34910 1 615 . 1 . 1 57 57 ASN HD22 H 1 7.417 0.020 . 2 . . . . A 57 ASN HD22 . 34910 1 616 . 1 . 1 57 57 ASN C C 13 172.596 0.400 . 1 . . . . A 57 ASN C . 34910 1 617 . 1 . 1 57 57 ASN CA C 13 55.412 0.400 . 1 . . . . A 57 ASN CA . 34910 1 618 . 1 . 1 57 57 ASN CB C 13 39.978 0.400 . 1 . . . . A 57 ASN CB . 34910 1 619 . 1 . 1 57 57 ASN N N 15 112.330 0.400 . 1 . . . . A 57 ASN N . 34910 1 620 . 1 . 1 57 57 ASN ND2 N 15 111.362 0.400 . 1 . . . . A 57 ASN ND2 . 34910 1 621 . 1 . 1 58 58 ARG H H 1 7.624 0.020 . 1 . . . . A 58 ARG H . 34910 1 622 . 1 . 1 58 58 ARG HA H 1 4.101 0.020 . 1 . . . . A 58 ARG HA . 34910 1 623 . 1 . 1 58 58 ARG HB2 H 1 1.521 0.020 . 2 . . . . A 58 ARG HB2 . 34910 1 624 . 1 . 1 58 58 ARG HB3 H 1 1.629 0.020 . 2 . . . . A 58 ARG HB3 . 34910 1 625 . 1 . 1 58 58 ARG HG2 H 1 1.341 0.020 . 2 . . . . A 58 ARG HG2 . 34910 1 626 . 1 . 1 58 58 ARG HG3 H 1 1.600 0.020 . 2 . . . . A 58 ARG HG3 . 34910 1 627 . 1 . 1 58 58 ARG HD2 H 1 3.002 0.020 . 2 . . . . A 58 ARG HD2 . 34910 1 628 . 1 . 1 58 58 ARG HD3 H 1 3.079 0.020 . 2 . . . . A 58 ARG HD3 . 34910 1 629 . 1 . 1 58 58 ARG HE H 1 6.981 0.020 . 1 . . . . A 58 ARG HE . 34910 1 630 . 1 . 1 58 58 ARG C C 13 173.746 0.400 . 1 . . . . A 58 ARG C . 34910 1 631 . 1 . 1 58 58 ARG CA C 13 57.141 0.400 . 1 . . . . A 58 ARG CA . 34910 1 632 . 1 . 1 58 58 ARG CB C 13 30.567 0.400 . 1 . . . . A 58 ARG CB . 34910 1 633 . 1 . 1 58 58 ARG CG C 13 27.744 0.400 . 1 . . . . A 58 ARG CG . 34910 1 634 . 1 . 1 58 58 ARG CD C 13 43.644 0.400 . 1 . . . . A 58 ARG CD . 34910 1 635 . 1 . 1 58 58 ARG N N 15 119.296 0.400 . 1 . . . . A 58 ARG N . 34910 1 636 . 1 . 1 59 59 TYR H H 1 7.032 0.020 . 1 . . . . A 59 TYR H . 34910 1 637 . 1 . 1 59 59 TYR HA H 1 4.918 0.020 . 1 . . . . A 59 TYR HA . 34910 1 638 . 1 . 1 59 59 TYR HB2 H 1 2.768 0.020 . 2 . . . . A 59 TYR HB2 . 34910 1 639 . 1 . 1 59 59 TYR HB3 H 1 2.833 0.020 . 2 . . . . A 59 TYR HB3 . 34910 1 640 . 1 . 1 59 59 TYR HD1 H 1 7.033 0.020 . 1 . . . . A 59 TYR HD1 . 34910 1 641 . 1 . 1 59 59 TYR HD2 H 1 7.033 0.020 . 1 . . . . A 59 TYR HD2 . 34910 1 642 . 1 . 1 59 59 TYR HE1 H 1 6.527 0.020 . 1 . . . . A 59 TYR HE1 . 34910 1 643 . 1 . 1 59 59 TYR HE2 H 1 6.527 0.020 . 1 . . . . A 59 TYR HE2 . 34910 1 644 . 1 . 1 59 59 TYR C C 13 172.681 0.400 . 1 . . . . A 59 TYR C . 34910 1 645 . 1 . 1 59 59 TYR CA C 13 54.030 0.400 . 1 . . . . A 59 TYR CA . 34910 1 646 . 1 . 1 59 59 TYR CB C 13 37.546 0.400 . 1 . . . . A 59 TYR CB . 34910 1 647 . 1 . 1 59 59 TYR CD1 C 13 132.306 0.400 . 3 . . . . A 59 TYR CD1 . 34910 1 648 . 1 . 1 59 59 TYR CE1 C 13 117.767 0.400 . 3 . . . . A 59 TYR CE1 . 34910 1 649 . 1 . 1 59 59 TYR N N 15 118.894 0.400 . 1 . . . . A 59 TYR N . 34910 1 650 . 1 . 1 60 60 PRO HA H 1 4.296 0.020 . 1 . . . . A 60 PRO HA . 34910 1 651 . 1 . 1 60 60 PRO HB2 H 1 1.873 0.020 . 2 . . . . A 60 PRO HB2 . 34910 1 652 . 1 . 1 60 60 PRO HB3 H 1 2.247 0.020 . 2 . . . . A 60 PRO HB3 . 34910 1 653 . 1 . 1 60 60 PRO HG2 H 1 1.972 0.020 . 2 . . . . A 60 PRO HG2 . 34910 1 654 . 1 . 1 60 60 PRO HG3 H 1 1.972 0.020 . 2 . . . . A 60 PRO HG3 . 34910 1 655 . 1 . 1 60 60 PRO HD2 H 1 3.710 0.020 . 2 . . . . A 60 PRO HD2 . 34910 1 656 . 1 . 1 60 60 PRO HD3 H 1 3.837 0.020 . 2 . . . . A 60 PRO HD3 . 34910 1 657 . 1 . 1 60 60 PRO C C 13 173.978 0.400 . 1 . . . . A 60 PRO C . 34910 1 658 . 1 . 1 60 60 PRO CA C 13 63.958 0.400 . 1 . . . . A 60 PRO CA . 34910 1 659 . 1 . 1 60 60 PRO CB C 13 31.513 0.400 . 1 . . . . A 60 PRO CB . 34910 1 660 . 1 . 1 60 60 PRO CG C 13 27.340 0.400 . 1 . . . . A 60 PRO CG . 34910 1 661 . 1 . 1 60 60 PRO CD C 13 50.671 0.400 . 1 . . . . A 60 PRO CD . 34910 1 662 . 1 . 1 61 61 ASN H H 1 8.388 0.020 . 1 . . . . A 61 ASN H . 34910 1 663 . 1 . 1 61 61 ASN HA H 1 4.474 0.020 . 1 . . . . A 61 ASN HA . 34910 1 664 . 1 . 1 61 61 ASN HB2 H 1 2.854 0.020 . 2 . . . . A 61 ASN HB2 . 34910 1 665 . 1 . 1 61 61 ASN HB3 H 1 2.854 0.020 . 2 . . . . A 61 ASN HB3 . 34910 1 666 . 1 . 1 61 61 ASN HD21 H 1 6.897 0.020 . 2 . . . . A 61 ASN HD21 . 34910 1 667 . 1 . 1 61 61 ASN HD22 H 1 7.512 0.020 . 2 . . . . A 61 ASN HD22 . 34910 1 668 . 1 . 1 61 61 ASN C C 13 170.894 0.400 . 1 . . . . A 61 ASN C . 34910 1 669 . 1 . 1 61 61 ASN CA C 13 52.580 0.400 . 1 . . . . A 61 ASN CA . 34910 1 670 . 1 . 1 61 61 ASN CB C 13 37.406 0.400 . 1 . . . . A 61 ASN CB . 34910 1 671 . 1 . 1 61 61 ASN N N 15 113.199 0.400 . 1 . . . . A 61 ASN N . 34910 1 672 . 1 . 1 61 61 ASN ND2 N 15 112.578 0.400 . 1 . . . . A 61 ASN ND2 . 34910 1 673 . 1 . 1 62 62 LEU H H 1 7.264 0.020 . 1 . . . . A 62 LEU H . 34910 1 674 . 1 . 1 62 62 LEU HA H 1 3.837 0.020 . 1 . . . . A 62 LEU HA . 34910 1 675 . 1 . 1 62 62 LEU HB2 H 1 1.658 0.020 . 2 . . . . A 62 LEU HB2 . 34910 1 676 . 1 . 1 62 62 LEU HB3 H 1 1.658 0.020 . 2 . . . . A 62 LEU HB3 . 34910 1 677 . 1 . 1 62 62 LEU HG H 1 1.501 0.020 . 1 . . . . A 62 LEU HG . 34910 1 678 . 1 . 1 62 62 LEU HD11 H 1 0.780 0.020 . 2 . . . . A 62 LEU HD11 . 34910 1 679 . 1 . 1 62 62 LEU HD12 H 1 0.780 0.020 . 2 . . . . A 62 LEU HD12 . 34910 1 680 . 1 . 1 62 62 LEU HD13 H 1 0.780 0.020 . 2 . . . . A 62 LEU HD13 . 34910 1 681 . 1 . 1 62 62 LEU HD21 H 1 0.881 0.020 . 2 . . . . A 62 LEU HD21 . 34910 1 682 . 1 . 1 62 62 LEU HD22 H 1 0.881 0.020 . 2 . . . . A 62 LEU HD22 . 34910 1 683 . 1 . 1 62 62 LEU HD23 H 1 0.881 0.020 . 2 . . . . A 62 LEU HD23 . 34910 1 684 . 1 . 1 62 62 LEU C C 13 173.623 0.400 . 1 . . . . A 62 LEU C . 34910 1 685 . 1 . 1 62 62 LEU CA C 13 56.496 0.400 . 1 . . . . A 62 LEU CA . 34910 1 686 . 1 . 1 62 62 LEU CB C 13 42.224 0.400 . 1 . . . . A 62 LEU CB . 34910 1 687 . 1 . 1 62 62 LEU CG C 13 26.712 0.400 . 1 . . . . A 62 LEU CG . 34910 1 688 . 1 . 1 62 62 LEU CD1 C 13 25.117 0.400 . 2 . . . . A 62 LEU CD1 . 34910 1 689 . 1 . 1 62 62 LEU CD2 C 13 25.796 0.400 . 2 . . . . A 62 LEU CD2 . 34910 1 690 . 1 . 1 62 62 LEU N N 15 119.049 0.400 . 1 . . . . A 62 LEU N . 34910 1 691 . 1 . 1 63 63 LYS H H 1 8.854 0.020 . 1 . . . . A 63 LYS H . 34910 1 692 . 1 . 1 63 63 LYS HA H 1 4.403 0.020 . 1 . . . . A 63 LYS HA . 34910 1 693 . 1 . 1 63 63 LYS HB2 H 1 1.620 0.020 . 2 . . . . A 63 LYS HB2 . 34910 1 694 . 1 . 1 63 63 LYS HB3 H 1 1.793 0.020 . 2 . . . . A 63 LYS HB3 . 34910 1 695 . 1 . 1 63 63 LYS HG2 H 1 1.290 0.020 . 2 . . . . A 63 LYS HG2 . 34910 1 696 . 1 . 1 63 63 LYS HG3 H 1 1.290 0.020 . 2 . . . . A 63 LYS HG3 . 34910 1 697 . 1 . 1 63 63 LYS HD2 H 1 1.337 0.020 . 2 . . . . A 63 LYS HD2 . 34910 1 698 . 1 . 1 63 63 LYS HD3 H 1 1.337 0.020 . 2 . . . . A 63 LYS HD3 . 34910 1 699 . 1 . 1 63 63 LYS HE2 H 1 2.776 0.020 . 2 . . . . A 63 LYS HE2 . 34910 1 700 . 1 . 1 63 63 LYS HE3 H 1 2.862 0.020 . 2 . . . . A 63 LYS HE3 . 34910 1 701 . 1 . 1 63 63 LYS C C 13 173.594 0.400 . 1 . . . . A 63 LYS C . 34910 1 702 . 1 . 1 63 63 LYS CA C 13 54.601 0.400 . 1 . . . . A 63 LYS CA . 34910 1 703 . 1 . 1 63 63 LYS CB C 13 31.739 0.400 . 1 . . . . A 63 LYS CB . 34910 1 704 . 1 . 1 63 63 LYS CG C 13 23.954 0.400 . 1 . . . . A 63 LYS CG . 34910 1 705 . 1 . 1 63 63 LYS CD C 13 28.597 0.400 . 1 . . . . A 63 LYS CD . 34910 1 706 . 1 . 1 63 63 LYS CE C 13 41.784 0.400 . 1 . . . . A 63 LYS CE . 34910 1 707 . 1 . 1 63 63 LYS N N 15 127.868 0.400 . 1 . . . . A 63 LYS N . 34910 1 708 . 1 . 1 64 64 ASP H H 1 8.809 0.020 . 1 . . . . A 64 ASP H . 34910 1 709 . 1 . 1 64 64 ASP HA H 1 4.266 0.020 . 1 . . . . A 64 ASP HA . 34910 1 710 . 1 . 1 64 64 ASP HB2 H 1 2.529 0.020 . 2 . . . . A 64 ASP HB2 . 34910 1 711 . 1 . 1 64 64 ASP HB3 H 1 2.575 0.020 . 2 . . . . A 64 ASP HB3 . 34910 1 712 . 1 . 1 64 64 ASP C C 13 175.207 0.400 . 1 . . . . A 64 ASP C . 34910 1 713 . 1 . 1 64 64 ASP CA C 13 57.805 0.400 . 1 . . . . A 64 ASP CA . 34910 1 714 . 1 . 1 64 64 ASP CB C 13 40.582 0.400 . 1 . . . . A 64 ASP CB . 34910 1 715 . 1 . 1 64 64 ASP N N 15 127.328 0.400 . 1 . . . . A 64 ASP N . 34910 1 716 . 1 . 1 65 65 ASP H H 1 8.853 0.020 . 1 . . . . A 65 ASP H . 34910 1 717 . 1 . 1 65 65 ASP HA H 1 4.248 0.020 . 1 . . . . A 65 ASP HA . 34910 1 718 . 1 . 1 65 65 ASP HB2 H 1 2.537 0.020 . 2 . . . . A 65 ASP HB2 . 34910 1 719 . 1 . 1 65 65 ASP HB3 H 1 2.620 0.020 . 2 . . . . A 65 ASP HB3 . 34910 1 720 . 1 . 1 65 65 ASP C C 13 176.088 0.400 . 1 . . . . A 65 ASP C . 34910 1 721 . 1 . 1 65 65 ASP CA C 13 56.038 0.400 . 1 . . . . A 65 ASP CA . 34910 1 722 . 1 . 1 65 65 ASP CB C 13 38.942 0.400 . 1 . . . . A 65 ASP CB . 34910 1 723 . 1 . 1 65 65 ASP N N 15 116.281 0.400 . 1 . . . . A 65 ASP N . 34910 1 724 . 1 . 1 66 66 ALA H H 1 7.001 0.020 . 1 . . . . A 66 ALA H . 34910 1 725 . 1 . 1 66 66 ALA HA H 1 3.931 0.020 . 1 . . . . A 66 ALA HA . 34910 1 726 . 1 . 1 66 66 ALA HB1 H 1 0.802 0.020 . 1 . . . . A 66 ALA HB1 . 34910 1 727 . 1 . 1 66 66 ALA HB2 H 1 0.802 0.020 . 1 . . . . A 66 ALA HB2 . 34910 1 728 . 1 . 1 66 66 ALA HB3 H 1 0.802 0.020 . 1 . . . . A 66 ALA HB3 . 34910 1 729 . 1 . 1 66 66 ALA C C 13 176.627 0.400 . 1 . . . . A 66 ALA C . 34910 1 730 . 1 . 1 66 66 ALA CA C 13 54.703 0.400 . 1 . . . . A 66 ALA CA . 34910 1 731 . 1 . 1 66 66 ALA CB C 13 18.303 0.400 . 1 . . . . A 66 ALA CB . 34910 1 732 . 1 . 1 66 66 ALA N N 15 125.399 0.400 . 1 . . . . A 66 ALA N . 34910 1 733 . 1 . 1 67 67 ALA H H 1 7.967 0.020 . 1 . . . . A 67 ALA H . 34910 1 734 . 1 . 1 67 67 ALA HA H 1 3.742 0.020 . 1 . . . . A 67 ALA HA . 34910 1 735 . 1 . 1 67 67 ALA HB1 H 1 1.499 0.020 . 1 . . . . A 67 ALA HB1 . 34910 1 736 . 1 . 1 67 67 ALA HB2 H 1 1.499 0.020 . 1 . . . . A 67 ALA HB2 . 34910 1 737 . 1 . 1 67 67 ALA HB3 H 1 1.499 0.020 . 1 . . . . A 67 ALA HB3 . 34910 1 738 . 1 . 1 67 67 ALA C C 13 176.962 0.400 . 1 . . . . A 67 ALA C . 34910 1 739 . 1 . 1 67 67 ALA CA C 13 55.814 0.400 . 1 . . . . A 67 ALA CA . 34910 1 740 . 1 . 1 67 67 ALA CB C 13 17.637 0.400 . 1 . . . . A 67 ALA CB . 34910 1 741 . 1 . 1 67 67 ALA N N 15 120.089 0.400 . 1 . . . . A 67 ALA N . 34910 1 742 . 1 . 1 68 68 GLN H H 1 8.096 0.020 . 1 . . . . A 68 GLN H . 34910 1 743 . 1 . 1 68 68 GLN HA H 1 4.088 0.020 . 1 . . . . A 68 GLN HA . 34910 1 744 . 1 . 1 68 68 GLN HB2 H 1 2.112 0.020 . 2 . . . . A 68 GLN HB2 . 34910 1 745 . 1 . 1 68 68 GLN HB3 H 1 2.112 0.020 . 2 . . . . A 68 GLN HB3 . 34910 1 746 . 1 . 1 68 68 GLN HG2 H 1 2.431 0.020 . 2 . . . . A 68 GLN HG2 . 34910 1 747 . 1 . 1 68 68 GLN HG3 H 1 2.523 0.020 . 2 . . . . A 68 GLN HG3 . 34910 1 748 . 1 . 1 68 68 GLN C C 13 175.389 0.400 . 1 . . . . A 68 GLN C . 34910 1 749 . 1 . 1 68 68 GLN CA C 13 58.064 0.400 . 1 . . . . A 68 GLN CA . 34910 1 750 . 1 . 1 68 68 GLN CB C 13 28.634 0.400 . 1 . . . . A 68 GLN CB . 34910 1 751 . 1 . 1 68 68 GLN CG C 13 34.011 0.400 . 1 . . . . A 68 GLN CG . 34910 1 752 . 1 . 1 68 68 GLN N N 15 113.994 0.400 . 1 . . . . A 68 GLN N . 34910 1 753 . 1 . 1 69 69 SER H H 1 7.757 0.020 . 1 . . . . A 69 SER H . 34910 1 754 . 1 . 1 69 69 SER HA H 1 4.512 0.020 . 1 . . . . A 69 SER HA . 34910 1 755 . 1 . 1 69 69 SER HB2 H 1 3.998 0.020 . 2 . . . . A 69 SER HB2 . 34910 1 756 . 1 . 1 69 69 SER HB3 H 1 4.094 0.020 . 2 . . . . A 69 SER HB3 . 34910 1 757 . 1 . 1 69 69 SER C C 13 171.774 0.400 . 1 . . . . A 69 SER C . 34910 1 758 . 1 . 1 69 69 SER CA C 13 59.430 0.400 . 1 . . . . A 69 SER CA . 34910 1 759 . 1 . 1 69 69 SER CB C 13 64.668 0.400 . 1 . . . . A 69 SER CB . 34910 1 760 . 1 . 1 69 69 SER N N 15 112.693 0.400 . 1 . . . . A 69 SER N . 34910 1 761 . 1 . 1 70 70 LEU H H 1 7.568 0.020 . 1 . . . . A 70 LEU H . 34910 1 762 . 1 . 1 70 70 LEU HA H 1 4.030 0.020 . 1 . . . . A 70 LEU HA . 34910 1 763 . 1 . 1 70 70 LEU HB2 H 1 1.942 0.020 . 2 . . . . A 70 LEU HB2 . 34910 1 764 . 1 . 1 70 70 LEU HB3 H 1 1.942 0.020 . 2 . . . . A 70 LEU HB3 . 34910 1 765 . 1 . 1 70 70 LEU HG H 1 1.431 0.020 . 1 . . . . A 70 LEU HG . 34910 1 766 . 1 . 1 70 70 LEU HD11 H 1 0.878 0.020 . 2 . . . . A 70 LEU HD11 . 34910 1 767 . 1 . 1 70 70 LEU HD12 H 1 0.878 0.020 . 2 . . . . A 70 LEU HD12 . 34910 1 768 . 1 . 1 70 70 LEU HD13 H 1 0.878 0.020 . 2 . . . . A 70 LEU HD13 . 34910 1 769 . 1 . 1 70 70 LEU HD21 H 1 0.895 0.020 . 2 . . . . A 70 LEU HD21 . 34910 1 770 . 1 . 1 70 70 LEU HD22 H 1 0.895 0.020 . 2 . . . . A 70 LEU HD22 . 34910 1 771 . 1 . 1 70 70 LEU HD23 H 1 0.895 0.020 . 2 . . . . A 70 LEU HD23 . 34910 1 772 . 1 . 1 70 70 LEU CA C 13 60.519 0.400 . 1 . . . . A 70 LEU CA . 34910 1 773 . 1 . 1 70 70 LEU CB C 13 39.570 0.400 . 1 . . . . A 70 LEU CB . 34910 1 774 . 1 . 1 70 70 LEU CG C 13 27.624 0.400 . 1 . . . . A 70 LEU CG . 34910 1 775 . 1 . 1 70 70 LEU CD1 C 13 25.176 0.400 . 2 . . . . A 70 LEU CD1 . 34910 1 776 . 1 . 1 70 70 LEU CD2 C 13 25.876 0.400 . 2 . . . . A 70 LEU CD2 . 34910 1 777 . 1 . 1 70 70 LEU N N 15 122.826 0.400 . 1 . . . . A 70 LEU N . 34910 1 778 . 1 . 1 71 71 PRO HA H 1 3.942 0.020 . 1 . . . . A 71 PRO HA . 34910 1 779 . 1 . 1 71 71 PRO HB2 H 1 2.059 0.020 . 2 . . . . A 71 PRO HB2 . 34910 1 780 . 1 . 1 71 71 PRO HB3 H 1 2.290 0.020 . 2 . . . . A 71 PRO HB3 . 34910 1 781 . 1 . 1 71 71 PRO HG2 H 1 1.782 0.020 . 2 . . . . A 71 PRO HG2 . 34910 1 782 . 1 . 1 71 71 PRO HG3 H 1 2.304 0.020 . 2 . . . . A 71 PRO HG3 . 34910 1 783 . 1 . 1 71 71 PRO HD2 H 1 3.601 0.020 . 2 . . . . A 71 PRO HD2 . 34910 1 784 . 1 . 1 71 71 PRO HD3 H 1 3.771 0.020 . 2 . . . . A 71 PRO HD3 . 34910 1 785 . 1 . 1 71 71 PRO C C 13 176.372 0.400 . 1 . . . . A 71 PRO C . 34910 1 786 . 1 . 1 71 71 PRO CA C 13 67.032 0.400 . 1 . . . . A 71 PRO CA . 34910 1 787 . 1 . 1 71 71 PRO CB C 13 30.885 0.400 . 1 . . . . A 71 PRO CB . 34910 1 788 . 1 . 1 71 71 PRO CG C 13 28.850 0.400 . 1 . . . . A 71 PRO CG . 34910 1 789 . 1 . 1 71 71 PRO CD C 13 49.576 0.400 . 1 . . . . A 71 PRO CD . 34910 1 790 . 1 . 1 72 72 SER H H 1 7.706 0.020 . 1 . . . . A 72 SER H . 34910 1 791 . 1 . 1 72 72 SER HA H 1 4.191 0.020 . 1 . . . . A 72 SER HA . 34910 1 792 . 1 . 1 72 72 SER HB2 H 1 3.935 0.020 . 2 . . . . A 72 SER HB2 . 34910 1 793 . 1 . 1 72 72 SER HB3 H 1 3.935 0.020 . 2 . . . . A 72 SER HB3 . 34910 1 794 . 1 . 1 72 72 SER C C 13 175.829 0.400 . 1 . . . . A 72 SER C . 34910 1 795 . 1 . 1 72 72 SER CA C 13 61.258 0.400 . 1 . . . . A 72 SER CA . 34910 1 796 . 1 . 1 72 72 SER CB C 13 62.640 0.400 . 1 . . . . A 72 SER CB . 34910 1 797 . 1 . 1 72 72 SER N N 15 112.295 0.400 . 1 . . . . A 72 SER N . 34910 1 798 . 1 . 1 73 73 LYS H H 1 8.454 0.020 . 1 . . . . A 73 LYS H . 34910 1 799 . 1 . 1 73 73 LYS HA H 1 4.095 0.020 . 1 . . . . A 73 LYS HA . 34910 1 800 . 1 . 1 73 73 LYS HB2 H 1 1.519 0.020 . 2 . . . . A 73 LYS HB2 . 34910 1 801 . 1 . 1 73 73 LYS HB3 H 1 1.736 0.020 . 2 . . . . A 73 LYS HB3 . 34910 1 802 . 1 . 1 73 73 LYS HG2 H 1 1.498 0.020 . 2 . . . . A 73 LYS HG2 . 34910 1 803 . 1 . 1 73 73 LYS HG3 H 1 1.498 0.020 . 2 . . . . A 73 LYS HG3 . 34910 1 804 . 1 . 1 73 73 LYS HD2 H 1 1.608 0.020 . 2 . . . . A 73 LYS HD2 . 34910 1 805 . 1 . 1 73 73 LYS HD3 H 1 1.608 0.020 . 2 . . . . A 73 LYS HD3 . 34910 1 806 . 1 . 1 73 73 LYS HE2 H 1 2.995 0.020 . 2 . . . . A 73 LYS HE2 . 34910 1 807 . 1 . 1 73 73 LYS HE3 H 1 3.099 0.020 . 2 . . . . A 73 LYS HE3 . 34910 1 808 . 1 . 1 73 73 LYS C C 13 176.252 0.400 . 1 . . . . A 73 LYS C . 34910 1 809 . 1 . 1 73 73 LYS CA C 13 58.845 0.400 . 1 . . . . A 73 LYS CA . 34910 1 810 . 1 . 1 73 73 LYS CB C 13 32.816 0.400 . 1 . . . . A 73 LYS CB . 34910 1 811 . 1 . 1 73 73 LYS CG C 13 26.051 0.400 . 1 . . . . A 73 LYS CG . 34910 1 812 . 1 . 1 73 73 LYS CD C 13 29.121 0.400 . 1 . . . . A 73 LYS CD . 34910 1 813 . 1 . 1 73 73 LYS CE C 13 42.141 0.400 . 1 . . . . A 73 LYS CE . 34910 1 814 . 1 . 1 73 73 LYS N N 15 121.711 0.400 . 1 . . . . A 73 LYS N . 34910 1 815 . 1 . 1 74 74 CYS H H 1 7.942 0.020 . 1 . . . . A 74 CYS H . 34910 1 816 . 1 . 1 74 74 CYS HA H 1 4.738 0.020 . 1 . . . . A 74 CYS HA . 34910 1 817 . 1 . 1 74 74 CYS HB2 H 1 2.477 0.020 . 2 . . . . A 74 CYS HB2 . 34910 1 818 . 1 . 1 74 74 CYS HB3 H 1 2.951 0.020 . 2 . . . . A 74 CYS HB3 . 34910 1 819 . 1 . 1 74 74 CYS C C 13 172.350 0.400 . 1 . . . . A 74 CYS C . 34910 1 820 . 1 . 1 74 74 CYS CA C 13 53.394 0.400 . 1 . . . . A 74 CYS CA . 34910 1 821 . 1 . 1 74 74 CYS CB C 13 36.704 0.400 . 1 . . . . A 74 CYS CB . 34910 1 822 . 1 . 1 74 74 CYS N N 15 113.648 0.400 . 1 . . . . A 74 CYS N . 34910 1 823 . 1 . 1 75 75 GLY H H 1 7.913 0.020 . 1 . . . . A 75 GLY H . 34910 1 824 . 1 . 1 75 75 GLY HA2 H 1 3.862 0.020 . 2 . . . . A 75 GLY HA2 . 34910 1 825 . 1 . 1 75 75 GLY HA3 H 1 3.862 0.020 . 2 . . . . A 75 GLY HA3 . 34910 1 826 . 1 . 1 75 75 GLY C C 13 171.493 0.400 . 1 . . . . A 75 GLY C . 34910 1 827 . 1 . 1 75 75 GLY CA C 13 46.636 0.400 . 1 . . . . A 75 GLY CA . 34910 1 828 . 1 . 1 75 75 GLY N N 15 111.373 0.400 . 1 . . . . A 75 GLY N . 34910 1 829 . 1 . 1 76 76 ILE H H 1 7.904 0.020 . 1 . . . . A 76 ILE H . 34910 1 830 . 1 . 1 76 76 ILE HA H 1 4.433 0.020 . 1 . . . . A 76 ILE HA . 34910 1 831 . 1 . 1 76 76 ILE HB H 1 1.546 0.020 . 1 . . . . A 76 ILE HB . 34910 1 832 . 1 . 1 76 76 ILE HG12 H 1 0.867 0.020 . 2 . . . . A 76 ILE HG12 . 34910 1 833 . 1 . 1 76 76 ILE HG13 H 1 1.156 0.020 . 2 . . . . A 76 ILE HG13 . 34910 1 834 . 1 . 1 76 76 ILE HG21 H 1 0.670 0.020 . 1 . . . . A 76 ILE HG21 . 34910 1 835 . 1 . 1 76 76 ILE HG22 H 1 0.670 0.020 . 1 . . . . A 76 ILE HG22 . 34910 1 836 . 1 . 1 76 76 ILE HG23 H 1 0.670 0.020 . 1 . . . . A 76 ILE HG23 . 34910 1 837 . 1 . 1 76 76 ILE HD11 H 1 0.659 0.020 . 1 . . . . A 76 ILE HD11 . 34910 1 838 . 1 . 1 76 76 ILE HD12 H 1 0.659 0.020 . 1 . . . . A 76 ILE HD12 . 34910 1 839 . 1 . 1 76 76 ILE HD13 H 1 0.659 0.020 . 1 . . . . A 76 ILE HD13 . 34910 1 840 . 1 . 1 76 76 ILE C C 13 171.721 0.400 . 1 . . . . A 76 ILE C . 34910 1 841 . 1 . 1 76 76 ILE CA C 13 58.783 0.400 . 1 . . . . A 76 ILE CA . 34910 1 842 . 1 . 1 76 76 ILE CB C 13 42.020 0.400 . 1 . . . . A 76 ILE CB . 34910 1 843 . 1 . 1 76 76 ILE CG1 C 13 26.331 0.400 . 1 . . . . A 76 ILE CG1 . 34910 1 844 . 1 . 1 76 76 ILE CG2 C 13 17.403 0.400 . 1 . . . . A 76 ILE CG2 . 34910 1 845 . 1 . 1 76 76 ILE CD1 C 13 14.219 0.400 . 1 . . . . A 76 ILE CD1 . 34910 1 846 . 1 . 1 76 76 ILE N N 15 116.023 0.400 . 1 . . . . A 76 ILE N . 34910 1 847 . 1 . 1 77 77 SER H H 1 8.201 0.020 . 1 . . . . A 77 SER H . 34910 1 848 . 1 . 1 77 77 SER HA H 1 4.433 0.020 . 1 . . . . A 77 SER HA . 34910 1 849 . 1 . 1 77 77 SER HB2 H 1 3.618 0.020 . 2 . . . . A 77 SER HB2 . 34910 1 850 . 1 . 1 77 77 SER HB3 H 1 3.695 0.020 . 2 . . . . A 77 SER HB3 . 34910 1 851 . 1 . 1 77 77 SER C C 13 170.865 0.400 . 1 . . . . A 77 SER C . 34910 1 852 . 1 . 1 77 77 SER CA C 13 56.817 0.400 . 1 . . . . A 77 SER CA . 34910 1 853 . 1 . 1 77 77 SER CB C 13 62.999 0.400 . 1 . . . . A 77 SER CB . 34910 1 854 . 1 . 1 77 77 SER N N 15 119.195 0.400 . 1 . . . . A 77 SER N . 34910 1 855 . 1 . 1 78 78 LEU H H 1 7.906 0.020 . 1 . . . . A 78 LEU H . 34910 1 856 . 1 . 1 78 78 LEU HA H 1 4.396 0.020 . 1 . . . . A 78 LEU HA . 34910 1 857 . 1 . 1 78 78 LEU HB2 H 1 1.182 0.020 . 2 . . . . A 78 LEU HB2 . 34910 1 858 . 1 . 1 78 78 LEU HB3 H 1 1.694 0.020 . 2 . . . . A 78 LEU HB3 . 34910 1 859 . 1 . 1 78 78 LEU HG H 1 1.581 0.020 . 1 . . . . A 78 LEU HG . 34910 1 860 . 1 . 1 78 78 LEU HD11 H 1 0.826 0.020 . 2 . . . . A 78 LEU HD11 . 34910 1 861 . 1 . 1 78 78 LEU HD12 H 1 0.826 0.020 . 2 . . . . A 78 LEU HD12 . 34910 1 862 . 1 . 1 78 78 LEU HD13 H 1 0.826 0.020 . 2 . . . . A 78 LEU HD13 . 34910 1 863 . 1 . 1 78 78 LEU HD21 H 1 0.877 0.020 . 2 . . . . A 78 LEU HD21 . 34910 1 864 . 1 . 1 78 78 LEU HD22 H 1 0.877 0.020 . 2 . . . . A 78 LEU HD22 . 34910 1 865 . 1 . 1 78 78 LEU HD23 H 1 0.877 0.020 . 2 . . . . A 78 LEU HD23 . 34910 1 866 . 1 . 1 78 78 LEU C C 13 174.990 0.400 . 1 . . . . A 78 LEU C . 34910 1 867 . 1 . 1 78 78 LEU CA C 13 54.465 0.400 . 1 . . . . A 78 LEU CA . 34910 1 868 . 1 . 1 78 78 LEU CB C 13 43.591 0.400 . 1 . . . . A 78 LEU CB . 34910 1 869 . 1 . 1 78 78 LEU CG C 13 27.447 0.400 . 1 . . . . A 78 LEU CG . 34910 1 870 . 1 . 1 78 78 LEU CD1 C 13 23.822 0.400 . 2 . . . . A 78 LEU CD1 . 34910 1 871 . 1 . 1 78 78 LEU CD2 C 13 25.063 0.400 . 2 . . . . A 78 LEU CD2 . 34910 1 872 . 1 . 1 78 78 LEU N N 15 124.547 0.400 . 1 . . . . A 78 LEU N . 34910 1 873 . 1 . 1 79 79 THR H H 1 8.515 0.020 . 1 . . . . A 79 THR H . 34910 1 874 . 1 . 1 79 79 THR HA H 1 4.082 0.020 . 1 . . . . A 79 THR HA . 34910 1 875 . 1 . 1 79 79 THR HB H 1 4.169 0.020 . 1 . . . . A 79 THR HB . 34910 1 876 . 1 . 1 79 79 THR HG21 H 1 1.178 0.020 . 1 . . . . A 79 THR HG21 . 34910 1 877 . 1 . 1 79 79 THR HG22 H 1 1.178 0.020 . 1 . . . . A 79 THR HG22 . 34910 1 878 . 1 . 1 79 79 THR HG23 H 1 1.178 0.020 . 1 . . . . A 79 THR HG23 . 34910 1 879 . 1 . 1 79 79 THR C C 13 171.399 0.400 . 1 . . . . A 79 THR C . 34910 1 880 . 1 . 1 79 79 THR CA C 13 62.985 0.400 . 1 . . . . A 79 THR CA . 34910 1 881 . 1 . 1 79 79 THR CB C 13 68.983 0.400 . 1 . . . . A 79 THR CB . 34910 1 882 . 1 . 1 79 79 THR CG2 C 13 21.950 0.400 . 1 . . . . A 79 THR CG2 . 34910 1 883 . 1 . 1 79 79 THR N N 15 117.115 0.400 . 1 . . . . A 79 THR N . 34910 1 884 . 1 . 1 80 80 VAL H H 1 6.983 0.020 . 1 . . . . A 80 VAL H . 34910 1 885 . 1 . 1 80 80 VAL HA H 1 4.389 0.020 . 1 . . . . A 80 VAL HA . 34910 1 886 . 1 . 1 80 80 VAL HB H 1 1.886 0.020 . 1 . . . . A 80 VAL HB . 34910 1 887 . 1 . 1 80 80 VAL HG11 H 1 0.786 0.020 . 2 . . . . A 80 VAL HG11 . 34910 1 888 . 1 . 1 80 80 VAL HG12 H 1 0.786 0.020 . 2 . . . . A 80 VAL HG12 . 34910 1 889 . 1 . 1 80 80 VAL HG13 H 1 0.786 0.020 . 2 . . . . A 80 VAL HG13 . 34910 1 890 . 1 . 1 80 80 VAL HG21 H 1 0.822 0.020 . 2 . . . . A 80 VAL HG21 . 34910 1 891 . 1 . 1 80 80 VAL HG22 H 1 0.822 0.020 . 2 . . . . A 80 VAL HG22 . 34910 1 892 . 1 . 1 80 80 VAL HG23 H 1 0.822 0.020 . 2 . . . . A 80 VAL HG23 . 34910 1 893 . 1 . 1 80 80 VAL CA C 13 58.228 0.400 . 1 . . . . A 80 VAL CA . 34910 1 894 . 1 . 1 80 80 VAL CB C 13 33.628 0.400 . 1 . . . . A 80 VAL CB . 34910 1 895 . 1 . 1 80 80 VAL CG1 C 13 20.215 0.400 . 2 . . . . A 80 VAL CG1 . 34910 1 896 . 1 . 1 80 80 VAL CG2 C 13 21.536 0.400 . 2 . . . . A 80 VAL CG2 . 34910 1 897 . 1 . 1 80 80 VAL N N 15 118.100 0.400 . 1 . . . . A 80 VAL N . 34910 1 898 . 1 . 1 81 81 PRO HA H 1 4.267 0.020 . 1 . . . . A 81 PRO HA . 34910 1 899 . 1 . 1 81 81 PRO HB2 H 1 1.597 0.020 . 2 . . . . A 81 PRO HB2 . 34910 1 900 . 1 . 1 81 81 PRO HB3 H 1 2.136 0.020 . 2 . . . . A 81 PRO HB3 . 34910 1 901 . 1 . 1 81 81 PRO HG2 H 1 1.917 0.020 . 2 . . . . A 81 PRO HG2 . 34910 1 902 . 1 . 1 81 81 PRO HG3 H 1 1.917 0.020 . 2 . . . . A 81 PRO HG3 . 34910 1 903 . 1 . 1 81 81 PRO HD2 H 1 3.394 0.020 . 2 . . . . A 81 PRO HD2 . 34910 1 904 . 1 . 1 81 81 PRO HD3 H 1 3.751 0.020 . 2 . . . . A 81 PRO HD3 . 34910 1 905 . 1 . 1 81 81 PRO C C 13 172.663 0.400 . 1 . . . . A 81 PRO C . 34910 1 906 . 1 . 1 81 81 PRO CA C 13 61.986 0.400 . 1 . . . . A 81 PRO CA . 34910 1 907 . 1 . 1 81 81 PRO CB C 13 32.070 0.400 . 1 . . . . A 81 PRO CB . 34910 1 908 . 1 . 1 81 81 PRO CG C 13 27.200 0.400 . 1 . . . . A 81 PRO CG . 34910 1 909 . 1 . 1 81 81 PRO CD C 13 50.448 0.400 . 1 . . . . A 81 PRO CD . 34910 1 910 . 1 . 1 82 82 ILE H H 1 8.125 0.020 . 1 . . . . A 82 ILE H . 34910 1 911 . 1 . 1 82 82 ILE HA H 1 3.884 0.020 . 1 . . . . A 82 ILE HA . 34910 1 912 . 1 . 1 82 82 ILE HB H 1 1.887 0.020 . 1 . . . . A 82 ILE HB . 34910 1 913 . 1 . 1 82 82 ILE HG12 H 1 0.970 0.020 . 2 . . . . A 82 ILE HG12 . 34910 1 914 . 1 . 1 82 82 ILE HG13 H 1 1.529 0.020 . 2 . . . . A 82 ILE HG13 . 34910 1 915 . 1 . 1 82 82 ILE HG21 H 1 0.651 0.020 . 1 . . . . A 82 ILE HG21 . 34910 1 916 . 1 . 1 82 82 ILE HG22 H 1 0.651 0.020 . 1 . . . . A 82 ILE HG22 . 34910 1 917 . 1 . 1 82 82 ILE HG23 H 1 0.651 0.020 . 1 . . . . A 82 ILE HG23 . 34910 1 918 . 1 . 1 82 82 ILE HD11 H 1 0.753 0.020 . 1 . . . . A 82 ILE HD11 . 34910 1 919 . 1 . 1 82 82 ILE HD12 H 1 0.753 0.020 . 1 . . . . A 82 ILE HD12 . 34910 1 920 . 1 . 1 82 82 ILE HD13 H 1 0.753 0.020 . 1 . . . . A 82 ILE HD13 . 34910 1 921 . 1 . 1 82 82 ILE C C 13 171.762 0.400 . 1 . . . . A 82 ILE C . 34910 1 922 . 1 . 1 82 82 ILE CA C 13 59.949 0.400 . 1 . . . . A 82 ILE CA . 34910 1 923 . 1 . 1 82 82 ILE CB C 13 35.817 0.400 . 1 . . . . A 82 ILE CB . 34910 1 924 . 1 . 1 82 82 ILE CG1 C 13 26.567 0.400 . 1 . . . . A 82 ILE CG1 . 34910 1 925 . 1 . 1 82 82 ILE CG2 C 13 16.806 0.400 . 1 . . . . A 82 ILE CG2 . 34910 1 926 . 1 . 1 82 82 ILE CD1 C 13 13.177 0.400 . 1 . . . . A 82 ILE CD1 . 34910 1 927 . 1 . 1 82 82 ILE N N 15 119.293 0.400 . 1 . . . . A 82 ILE N . 34910 1 928 . 1 . 1 83 83 SER H H 1 7.209 0.020 . 1 . . . . A 83 SER H . 34910 1 929 . 1 . 1 83 83 SER HA H 1 4.496 0.020 . 1 . . . . A 83 SER HA . 34910 1 930 . 1 . 1 83 83 SER HB2 H 1 3.053 0.020 . 2 . . . . A 83 SER HB2 . 34910 1 931 . 1 . 1 83 83 SER HB3 H 1 3.776 0.020 . 2 . . . . A 83 SER HB3 . 34910 1 932 . 1 . 1 83 83 SER C C 13 170.724 0.400 . 1 . . . . A 83 SER C . 34910 1 933 . 1 . 1 83 83 SER CA C 13 55.424 0.400 . 1 . . . . A 83 SER CA . 34910 1 934 . 1 . 1 83 83 SER CB C 13 64.166 0.400 . 1 . . . . A 83 SER CB . 34910 1 935 . 1 . 1 83 83 SER N N 15 117.218 0.400 . 1 . . . . A 83 SER N . 34910 1 936 . 1 . 1 84 84 ARG H H 1 8.837 0.020 . 1 . . . . A 84 ARG H . 34910 1 937 . 1 . 1 84 84 ARG HA H 1 4.150 0.020 . 1 . . . . A 84 ARG HA . 34910 1 938 . 1 . 1 84 84 ARG HB2 H 1 1.743 0.020 . 2 . . . . A 84 ARG HB2 . 34910 1 939 . 1 . 1 84 84 ARG HB3 H 1 1.947 0.020 . 2 . . . . A 84 ARG HB3 . 34910 1 940 . 1 . 1 84 84 ARG HG2 H 1 1.167 0.020 . 2 . . . . A 84 ARG HG2 . 34910 1 941 . 1 . 1 84 84 ARG HG3 H 1 1.167 0.020 . 2 . . . . A 84 ARG HG3 . 34910 1 942 . 1 . 1 84 84 ARG HD2 H 1 3.141 0.020 . 2 . . . . A 84 ARG HD2 . 34910 1 943 . 1 . 1 84 84 ARG HD3 H 1 3.141 0.020 . 2 . . . . A 84 ARG HD3 . 34910 1 944 . 1 . 1 84 84 ARG HE H 1 7.395 0.020 . 1 . . . . A 84 ARG HE . 34910 1 945 . 1 . 1 84 84 ARG C C 13 175.172 0.400 . 1 . . . . A 84 ARG C . 34910 1 946 . 1 . 1 84 84 ARG CA C 13 57.954 0.400 . 1 . . . . A 84 ARG CA . 34910 1 947 . 1 . 1 84 84 ARG CB C 13 31.831 0.400 . 1 . . . . A 84 ARG CB . 34910 1 948 . 1 . 1 84 84 ARG CG C 13 28.900 0.400 . 1 . . . . A 84 ARG CG . 34910 1 949 . 1 . 1 84 84 ARG CD C 13 43.520 0.400 . 1 . . . . A 84 ARG CD . 34910 1 950 . 1 . 1 84 84 ARG N N 15 120.992 0.400 . 1 . . . . A 84 ARG N . 34910 1 951 . 1 . 1 85 85 THR H H 1 8.032 0.020 . 1 . . . . A 85 THR H . 34910 1 952 . 1 . 1 85 85 THR HA H 1 4.358 0.020 . 1 . . . . A 85 THR HA . 34910 1 953 . 1 . 1 85 85 THR HB H 1 4.328 0.020 . 1 . . . . A 85 THR HB . 34910 1 954 . 1 . 1 85 85 THR HG21 H 1 1.003 0.020 . 1 . . . . A 85 THR HG21 . 34910 1 955 . 1 . 1 85 85 THR HG22 H 1 1.003 0.020 . 1 . . . . A 85 THR HG22 . 34910 1 956 . 1 . 1 85 85 THR HG23 H 1 1.003 0.020 . 1 . . . . A 85 THR HG23 . 34910 1 957 . 1 . 1 85 85 THR C C 13 171.951 0.400 . 1 . . . . A 85 THR C . 34910 1 958 . 1 . 1 85 85 THR CA C 13 60.961 0.400 . 1 . . . . A 85 THR CA . 34910 1 959 . 1 . 1 85 85 THR CB C 13 69.689 0.400 . 1 . . . . A 85 THR CB . 34910 1 960 . 1 . 1 85 85 THR CG2 C 13 21.388 0.400 . 1 . . . . A 85 THR CG2 . 34910 1 961 . 1 . 1 85 85 THR N N 15 105.418 0.400 . 1 . . . . A 85 THR N . 34910 1 962 . 1 . 1 86 86 VAL H H 1 6.878 0.020 . 1 . . . . A 86 VAL H . 34910 1 963 . 1 . 1 86 86 VAL HA H 1 3.774 0.020 . 1 . . . . A 86 VAL HA . 34910 1 964 . 1 . 1 86 86 VAL HB H 1 1.919 0.020 . 1 . . . . A 86 VAL HB . 34910 1 965 . 1 . 1 86 86 VAL HG11 H 1 0.752 0.020 . 2 . . . . A 86 VAL HG11 . 34910 1 966 . 1 . 1 86 86 VAL HG12 H 1 0.752 0.020 . 2 . . . . A 86 VAL HG12 . 34910 1 967 . 1 . 1 86 86 VAL HG13 H 1 0.752 0.020 . 2 . . . . A 86 VAL HG13 . 34910 1 968 . 1 . 1 86 86 VAL HG21 H 1 0.817 0.020 . 2 . . . . A 86 VAL HG21 . 34910 1 969 . 1 . 1 86 86 VAL HG22 H 1 0.817 0.020 . 2 . . . . A 86 VAL HG22 . 34910 1 970 . 1 . 1 86 86 VAL HG23 H 1 0.817 0.020 . 2 . . . . A 86 VAL HG23 . 34910 1 971 . 1 . 1 86 86 VAL C C 13 169.439 0.400 . 1 . . . . A 86 VAL C . 34910 1 972 . 1 . 1 86 86 VAL CA C 13 61.362 0.400 . 1 . . . . A 86 VAL CA . 34910 1 973 . 1 . 1 86 86 VAL CB C 13 32.283 0.400 . 1 . . . . A 86 VAL CB . 34910 1 974 . 1 . 1 86 86 VAL CG1 C 13 21.638 0.400 . 2 . . . . A 86 VAL CG1 . 34910 1 975 . 1 . 1 86 86 VAL CG2 C 13 18.708 0.400 . 2 . . . . A 86 VAL CG2 . 34910 1 976 . 1 . 1 86 86 VAL N N 15 123.737 0.400 . 1 . . . . A 86 VAL N . 34910 1 977 . 1 . 1 87 87 ASN H H 1 8.407 0.020 . 1 . . . . A 87 ASN H . 34910 1 978 . 1 . 1 87 87 ASN HA H 1 4.740 0.020 . 1 . . . . A 87 ASN HA . 34910 1 979 . 1 . 1 87 87 ASN HB2 H 1 2.675 0.020 . 2 . . . . A 87 ASN HB2 . 34910 1 980 . 1 . 1 87 87 ASN HB3 H 1 3.010 0.020 . 2 . . . . A 87 ASN HB3 . 34910 1 981 . 1 . 1 87 87 ASN HD21 H 1 7.113 0.020 . 2 . . . . A 87 ASN HD21 . 34910 1 982 . 1 . 1 87 87 ASN HD22 H 1 7.452 0.020 . 2 . . . . A 87 ASN HD22 . 34910 1 983 . 1 . 1 87 87 ASN C C 13 174.022 0.400 . 1 . . . . A 87 ASN C . 34910 1 984 . 1 . 1 87 87 ASN CA C 13 51.178 0.400 . 1 . . . . A 87 ASN CA . 34910 1 985 . 1 . 1 87 87 ASN CB C 13 37.480 0.400 . 1 . . . . A 87 ASN CB . 34910 1 986 . 1 . 1 87 87 ASN N N 15 123.484 0.400 . 1 . . . . A 87 ASN N . 34910 1 987 . 1 . 1 87 87 ASN ND2 N 15 110.993 0.400 . 1 . . . . A 87 ASN ND2 . 34910 1 988 . 1 . 1 88 88 CYS H H 1 8.852 0.020 . 1 . . . . A 88 CYS H . 34910 1 989 . 1 . 1 88 88 CYS HA H 1 4.414 0.020 . 1 . . . . A 88 CYS HA . 34910 1 990 . 1 . 1 88 88 CYS HB2 H 1 2.877 0.020 . 2 . . . . A 88 CYS HB2 . 34910 1 991 . 1 . 1 88 88 CYS HB3 H 1 3.085 0.020 . 2 . . . . A 88 CYS HB3 . 34910 1 992 . 1 . 1 88 88 CYS C C 13 172.637 0.400 . 1 . . . . A 88 CYS C . 34910 1 993 . 1 . 1 88 88 CYS CA C 13 55.825 0.400 . 1 . . . . A 88 CYS CA . 34910 1 994 . 1 . 1 88 88 CYS CB C 13 37.567 0.400 . 1 . . . . A 88 CYS CB . 34910 1 995 . 1 . 1 88 88 CYS N N 15 124.711 0.400 . 1 . . . . A 88 CYS N . 34910 1 996 . 1 . 1 89 89 ASP H H 1 8.239 0.020 . 1 . . . . A 89 ASP H . 34910 1 997 . 1 . 1 89 89 ASP HB2 H 1 2.699 0.020 . 2 . . . . A 89 ASP HB2 . 34910 1 998 . 1 . 1 89 89 ASP HB3 H 1 2.699 0.020 . 2 . . . . A 89 ASP HB3 . 34910 1 999 . 1 . 1 89 89 ASP C C 13 174.673 0.400 . 1 . . . . A 89 ASP C . 34910 1 1000 . 1 . 1 89 89 ASP CA C 13 56.363 0.400 . 1 . . . . A 89 ASP CA . 34910 1 1001 . 1 . 1 89 89 ASP CB C 13 40.159 0.400 . 1 . . . . A 89 ASP CB . 34910 1 1002 . 1 . 1 89 89 ASP N N 15 117.573 0.400 . 1 . . . . A 89 ASP N . 34910 1 1003 . 1 . 1 90 90 THR H H 1 7.418 0.020 . 1 . . . . A 90 THR H . 34910 1 1004 . 1 . 1 90 90 THR HA H 1 4.370 0.020 . 1 . . . . A 90 THR HA . 34910 1 1005 . 1 . 1 90 90 THR HB H 1 4.412 0.020 . 1 . . . . A 90 THR HB . 34910 1 1006 . 1 . 1 90 90 THR HG21 H 1 1.059 0.020 . 1 . . . . A 90 THR HG21 . 34910 1 1007 . 1 . 1 90 90 THR HG22 H 1 1.059 0.020 . 1 . . . . A 90 THR HG22 . 34910 1 1008 . 1 . 1 90 90 THR HG23 H 1 1.059 0.020 . 1 . . . . A 90 THR HG23 . 34910 1 1009 . 1 . 1 90 90 THR C C 13 172.120 0.400 . 1 . . . . A 90 THR C . 34910 1 1010 . 1 . 1 90 90 THR CA C 13 61.151 0.400 . 1 . . . . A 90 THR CA . 34910 1 1011 . 1 . 1 90 90 THR CB C 13 69.258 0.400 . 1 . . . . A 90 THR CB . 34910 1 1012 . 1 . 1 90 90 THR CG2 C 13 21.207 0.400 . 1 . . . . A 90 THR CG2 . 34910 1 1013 . 1 . 1 90 90 THR N N 15 106.555 0.400 . 1 . . . . A 90 THR N . 34910 1 1014 . 1 . 1 91 91 ILE H H 1 7.039 0.020 . 1 . . . . A 91 ILE H . 34910 1 1015 . 1 . 1 91 91 ILE HA H 1 4.191 0.020 . 1 . . . . A 91 ILE HA . 34910 1 1016 . 1 . 1 91 91 ILE HB H 1 2.035 0.020 . 1 . . . . A 91 ILE HB . 34910 1 1017 . 1 . 1 91 91 ILE HG12 H 1 1.376 0.020 . 2 . . . . A 91 ILE HG12 . 34910 1 1018 . 1 . 1 91 91 ILE HG13 H 1 1.437 0.020 . 2 . . . . A 91 ILE HG13 . 34910 1 1019 . 1 . 1 91 91 ILE HG21 H 1 0.873 0.020 . 1 . . . . A 91 ILE HG21 . 34910 1 1020 . 1 . 1 91 91 ILE HG22 H 1 0.873 0.020 . 1 . . . . A 91 ILE HG22 . 34910 1 1021 . 1 . 1 91 91 ILE HG23 H 1 0.873 0.020 . 1 . . . . A 91 ILE HG23 . 34910 1 1022 . 1 . 1 91 91 ILE HD11 H 1 0.806 0.020 . 1 . . . . A 91 ILE HD11 . 34910 1 1023 . 1 . 1 91 91 ILE HD12 H 1 0.806 0.020 . 1 . . . . A 91 ILE HD12 . 34910 1 1024 . 1 . 1 91 91 ILE HD13 H 1 0.806 0.020 . 1 . . . . A 91 ILE HD13 . 34910 1 1025 . 1 . 1 91 91 ILE C C 13 172.114 0.400 . 1 . . . . A 91 ILE C . 34910 1 1026 . 1 . 1 91 91 ILE CA C 13 60.975 0.400 . 1 . . . . A 91 ILE CA . 34910 1 1027 . 1 . 1 91 91 ILE CB C 13 37.972 0.400 . 1 . . . . A 91 ILE CB . 34910 1 1028 . 1 . 1 91 91 ILE CG1 C 13 27.353 0.400 . 1 . . . . A 91 ILE CG1 . 34910 1 1029 . 1 . 1 91 91 ILE CG2 C 13 17.684 0.400 . 1 . . . . A 91 ILE CG2 . 34910 1 1030 . 1 . 1 91 91 ILE CD1 C 13 12.974 0.400 . 1 . . . . A 91 ILE CD1 . 34910 1 1031 . 1 . 1 91 91 ILE N N 15 120.995 0.400 . 1 . . . . A 91 ILE N . 34910 1 1032 . 1 . 1 92 92 SER H H 1 7.905 0.020 . 1 . . . . A 92 SER H . 34910 1 1033 . 1 . 1 92 92 SER HA H 1 4.209 0.020 . 1 . . . . A 92 SER HA . 34910 1 1034 . 1 . 1 92 92 SER HB2 H 1 3.766 0.020 . 2 . . . . A 92 SER HB2 . 34910 1 1035 . 1 . 1 92 92 SER HB3 H 1 3.766 0.020 . 2 . . . . A 92 SER HB3 . 34910 1 1036 . 1 . 1 92 92 SER C C 13 175.826 0.400 . 1 . . . . A 92 SER C . 34910 1 1037 . 1 . 1 92 92 SER CA C 13 59.697 0.400 . 1 . . . . A 92 SER CA . 34910 1 1038 . 1 . 1 92 92 SER CB C 13 65.081 0.400 . 1 . . . . A 92 SER CB . 34910 1 1039 . 1 . 1 92 92 SER N N 15 124.498 0.400 . 1 . . . . A 92 SER N . 34910 1 stop_ save_