data_52133 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52133 _Entry.Title ; Backbone and sidechain chemical shift assignment of DRB3 dsRBD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-18 _Entry.Accession_date 2023-09-18 _Entry.Last_release_date 2023-09-19 _Entry.Original_release_date 2023-09-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone and side chain chemical shift assignment of DRB3 dsRBD1' _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 Jaydeep Paul . . . 0009-0006-5728-2821 52133 2 'Mandar V.' Deshmukh . . . 0000-0003-2447-9725 52133 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52133 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 52133 '15N chemical shifts' 71 52133 '1H chemical shifts' 427 52133 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 . . 2024-09-20 . original BMRB . 52133 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52151 'Backbone and sidechain chemical shift assignment of DRB3 dsRBD2' 52133 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52133 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38668800 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemical shift assignment of dsRBD1 and dsRBD2 of Arabidopsis thaliana DRB3, an essential protein involved in RNAi-mediated antiviral defense ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR Assignment' _Citation.Journal_volume 18 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 99 _Citation.Page_last 9104 _Citation.Year 2024 _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 Jaydeep Paul . . . . 52133 1 2 'Mandar V.' Deshmukh . . . . 52133 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A. thaliana, RNAi, DRB3, dsRBD, RdDM' 52133 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52133 _Assembly.ID 1 _Assembly.Name 'DRB3 dsRBD1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DRB3D1 1 $entity_1 . . yes native no no . . . 52133 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP Q9LJF5 . . . . . . 52133 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Binds to dsRNA' 52133 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52133 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYKNQLQELAQRSCFSLPSY TCTREGPDHAPRFKASVNFN GEIFESPTYCSTLRQAEHSA AEVALSALSSKGPSKLEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,1 _Entity.Polymer_author_seq_details 'dsRBD1 (1-75)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'DRB3 dsRBD1 (1-75)' _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9LJF5 . DRB3 . . . . . . . . . . . . . . 52133 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binds to dsRNA' 52133 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52133 1 2 . TYR . 52133 1 3 . LYS . 52133 1 4 . ASN . 52133 1 5 . GLN . 52133 1 6 . LEU . 52133 1 7 . GLN . 52133 1 8 . GLU . 52133 1 9 . LEU . 52133 1 10 . ALA . 52133 1 11 . GLN . 52133 1 12 . ARG . 52133 1 13 . SER . 52133 1 14 . CYS . 52133 1 15 . PHE . 52133 1 16 . SER . 52133 1 17 . LEU . 52133 1 18 . PRO . 52133 1 19 . SER . 52133 1 20 . TYR . 52133 1 21 . THR . 52133 1 22 . CYS . 52133 1 23 . THR . 52133 1 24 . ARG . 52133 1 25 . GLU . 52133 1 26 . GLY . 52133 1 27 . PRO . 52133 1 28 . ASP . 52133 1 29 . HIS . 52133 1 30 . ALA . 52133 1 31 . PRO . 52133 1 32 . ARG . 52133 1 33 . PHE . 52133 1 34 . LYS . 52133 1 35 . ALA . 52133 1 36 . SER . 52133 1 37 . VAL . 52133 1 38 . ASN . 52133 1 39 . PHE . 52133 1 40 . ASN . 52133 1 41 . GLY . 52133 1 42 . GLU . 52133 1 43 . ILE . 52133 1 44 . PHE . 52133 1 45 . GLU . 52133 1 46 . SER . 52133 1 47 . PRO . 52133 1 48 . THR . 52133 1 49 . TYR . 52133 1 50 . CYS . 52133 1 51 . SER . 52133 1 52 . THR . 52133 1 53 . LEU . 52133 1 54 . ARG . 52133 1 55 . GLN . 52133 1 56 . ALA . 52133 1 57 . GLU . 52133 1 58 . HIS . 52133 1 59 . SER . 52133 1 60 . ALA . 52133 1 61 . ALA . 52133 1 62 . GLU . 52133 1 63 . VAL . 52133 1 64 . ALA . 52133 1 65 . LEU . 52133 1 66 . SER . 52133 1 67 . ALA . 52133 1 68 . LEU . 52133 1 69 . SER . 52133 1 70 . SER . 52133 1 71 . LYS . 52133 1 72 . GLY . 52133 1 73 . PRO . 52133 1 74 . SER . 52133 1 75 . LYS . 52133 1 76 . LEU . 52133 1 77 . GLU . 52133 1 78 . HIS . 52133 1 79 . HIS . 52133 1 80 . HIS . 52133 1 81 . HIS . 52133 1 82 . HIS . 52133 1 83 . HIS . 52133 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52133 1 . TYR 2 2 52133 1 . LYS 3 3 52133 1 . ASN 4 4 52133 1 . GLN 5 5 52133 1 . LEU 6 6 52133 1 . GLN 7 7 52133 1 . GLU 8 8 52133 1 . LEU 9 9 52133 1 . ALA 10 10 52133 1 . GLN 11 11 52133 1 . ARG 12 12 52133 1 . SER 13 13 52133 1 . CYS 14 14 52133 1 . PHE 15 15 52133 1 . SER 16 16 52133 1 . LEU 17 17 52133 1 . PRO 18 18 52133 1 . SER 19 19 52133 1 . TYR 20 20 52133 1 . THR 21 21 52133 1 . CYS 22 22 52133 1 . THR 23 23 52133 1 . ARG 24 24 52133 1 . GLU 25 25 52133 1 . GLY 26 26 52133 1 . PRO 27 27 52133 1 . ASP 28 28 52133 1 . HIS 29 29 52133 1 . ALA 30 30 52133 1 . PRO 31 31 52133 1 . ARG 32 32 52133 1 . PHE 33 33 52133 1 . LYS 34 34 52133 1 . ALA 35 35 52133 1 . SER 36 36 52133 1 . VAL 37 37 52133 1 . ASN 38 38 52133 1 . PHE 39 39 52133 1 . ASN 40 40 52133 1 . GLY 41 41 52133 1 . GLU 42 42 52133 1 . ILE 43 43 52133 1 . PHE 44 44 52133 1 . GLU 45 45 52133 1 . SER 46 46 52133 1 . PRO 47 47 52133 1 . THR 48 48 52133 1 . TYR 49 49 52133 1 . CYS 50 50 52133 1 . SER 51 51 52133 1 . THR 52 52 52133 1 . LEU 53 53 52133 1 . ARG 54 54 52133 1 . GLN 55 55 52133 1 . ALA 56 56 52133 1 . GLU 57 57 52133 1 . HIS 58 58 52133 1 . SER 59 59 52133 1 . ALA 60 60 52133 1 . ALA 61 61 52133 1 . GLU 62 62 52133 1 . VAL 63 63 52133 1 . ALA 64 64 52133 1 . LEU 65 65 52133 1 . SER 66 66 52133 1 . ALA 67 67 52133 1 . LEU 68 68 52133 1 . SER 69 69 52133 1 . SER 70 70 52133 1 . LYS 71 71 52133 1 . GLY 72 72 52133 1 . PRO 73 73 52133 1 . SER 74 74 52133 1 . LYS 75 75 52133 1 . LEU 76 76 52133 1 . GLU 77 77 52133 1 . HIS 78 78 52133 1 . HIS 79 79 52133 1 . HIS 80 80 52133 1 . HIS 81 81 52133 1 . HIS 82 82 52133 1 . HIS 83 83 52133 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52133 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . 'Cloned from A. thaliana for heterologous expression in E. coli.' 52133 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52133 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET30a . . . 52133 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52133 _Sample.ID 1 _Sample.Name Unlabelled _Sample.Type solution _Sample.Sub_type . _Sample.Details Unlabelled _Sample.Aggregate_sample_number 1 _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 'DRB3 dsRBD1' 'natural abundance' . . 1 $entity_1 . . 200 . . uM . . . . 52133 1 2 'Pottasium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 52133 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52133 1 4 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 52133 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52133 _Sample.ID 2 _Sample.Name '15N labelled' _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled' _Sample.Aggregate_sample_number 1 _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 'DRB3 dsRBD1' '[U-98% 15N]' . . 1 $entity_1 . . 550 . . uM . . . . 52133 2 2 'Pottasium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 52133 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52133 2 4 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 52133 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52133 _Sample.ID 3 _Sample.Name '15N 13C labelled' _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N 13C labelled' _Sample.Aggregate_sample_number 1 _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 'DRB3 dsRBD1' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 550 . . uM . . . . 52133 3 2 'Pottasium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 52133 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52133 3 4 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 52133 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 52133 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 52133 1 pH 7.0 . pH 52133 1 pressure 1 . atm 52133 1 temperature 298 . K 52133 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52133 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52133 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52133 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52133 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52133 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52133 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52133 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52133 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52133 _Software.ID 5 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52133 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52133 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details 'CPII TCI Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52133 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 3 '2D 1H-13C HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 4 '3D HNCO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 5 '3D HNCACB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 6 '3D HN(CO)CACB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 7 '3D HN(CA)CO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 8 '3D 1H-15N NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 9 '3D 1H-13C NOESY aliphatic' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 10 '3D H(CCO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 11 '3D C(CO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52133 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52133 _Computing_platform.ID 1 _Computing_platform.Name 'in house workstation' _Computing_platform.Reference_ID . _Computing_platform.Site OSX _Computing_platform.Site_reference_ID . _Computing_platform.Details Mac 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 52133 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name internal _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52133 1 H 1 water hydrogen . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52133 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52133 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 52133 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DRB3 dsRBD1' _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 2 '2D 1H-15N HSQC' . . . 52133 1 3 '2D 1H-13C HSQC' . . . 52133 1 4 '3D HNCO' . . . 52133 1 5 '3D HNCACB' . . . 52133 1 6 '3D HN(CO)CACB' . . . 52133 1 7 '3D HN(CA)CO' . . . 52133 1 8 '3D 1H-15N NOESY' . . . 52133 1 9 '3D 1H-13C NOESY aliphatic' . . . 52133 1 10 '3D H(CCO)NH' . . . 52133 1 11 '3D C(CO)NH' . . . 52133 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52133 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 TYR HA H 1 4.128 0.020 . 1 . . . . . 2 TYR HA . 52133 1 2 . 1 . 1 2 2 TYR HB2 H 1 2.927 0.020 . 2 . . . . . 2 TYR HB2 . 52133 1 3 . 1 . 1 2 2 TYR HB3 H 1 2.883 0.020 . 2 . . . . . 2 TYR HB3 . 52133 1 4 . 1 . 1 2 2 TYR C C 13 177.867 0.3 . 1 . . . . . 2 TYR C . 52133 1 5 . 1 . 1 2 2 TYR CA C 13 61.130 0.3 . 1 . . . . . 2 TYR CA . 52133 1 6 . 1 . 1 2 2 TYR CB C 13 38.215 0.3 . 1 . . . . . 2 TYR CB . 52133 1 7 . 1 . 1 3 3 LYS H H 1 9.280 0.020 . 1 . . . . . 3 LYS H . 52133 1 8 . 1 . 1 3 3 LYS HA H 1 3.809 0.020 . 1 . . . . . 3 LYS HA . 52133 1 9 . 1 . 1 3 3 LYS HB2 H 1 1.547 0.020 . 2 . . . . . 3 LYS HB2 . 52133 1 10 . 1 . 1 3 3 LYS HB3 H 1 1.501 0.020 . 2 . . . . . 3 LYS HB3 . 52133 1 11 . 1 . 1 3 3 LYS HG2 H 1 1.017 0.020 . 1 . . . . . 3 LYS HG2 . 52133 1 12 . 1 . 1 3 3 LYS HG3 H 1 1.017 0.020 . 1 . . . . . 3 LYS HG3 . 52133 1 13 . 1 . 1 3 3 LYS HD2 H 1 1.032 0.020 . 2 . . . . . 3 LYS HD2 . 52133 1 14 . 1 . 1 3 3 LYS HD3 H 1 0.993 0.020 . 2 . . . . . 3 LYS HD3 . 52133 1 15 . 1 . 1 3 3 LYS C C 13 179.960 0.3 . 1 . . . . . 3 LYS C . 52133 1 16 . 1 . 1 3 3 LYS CA C 13 60.759 0.3 . 1 . . . . . 3 LYS CA . 52133 1 17 . 1 . 1 3 3 LYS CB C 13 32.184 0.3 . 1 . . . . . 3 LYS CB . 52133 1 18 . 1 . 1 3 3 LYS CG C 13 24.188 0.3 . 1 . . . . . 3 LYS CG . 52133 1 19 . 1 . 1 3 3 LYS CD C 13 28.977 0.3 . 1 . . . . . 3 LYS CD . 52133 1 20 . 1 . 1 3 3 LYS N N 15 121.033 0.3 . 1 . . . . . 3 LYS N . 52133 1 21 . 1 . 1 4 4 ASN H H 1 8.243 0.020 . 1 . . . . . 4 ASN H . 52133 1 22 . 1 . 1 4 4 ASN HA H 1 4.322 0.020 . 1 . . . . . 4 ASN HA . 52133 1 23 . 1 . 1 4 4 ASN HB2 H 1 2.750 0.020 . 2 . . . . . 4 ASN HB2 . 52133 1 24 . 1 . 1 4 4 ASN HB3 H 1 2.712 0.020 . 2 . . . . . 4 ASN HB3 . 52133 1 25 . 1 . 1 4 4 ASN C C 13 177.187 0.3 . 1 . . . . . 4 ASN C . 52133 1 26 . 1 . 1 4 4 ASN CA C 13 56.166 0.3 . 1 . . . . . 4 ASN CA . 52133 1 27 . 1 . 1 4 4 ASN CB C 13 37.380 0.3 . 1 . . . . . 4 ASN CB . 52133 1 28 . 1 . 1 4 4 ASN N N 15 119.438 0.3 . 1 . . . . . 4 ASN N . 52133 1 29 . 1 . 1 5 5 GLN H H 1 8.055 0.020 . 1 . . . . . 5 GLN H . 52133 1 30 . 1 . 1 5 5 GLN HA H 1 3.995 0.020 . 1 . . . . . 5 GLN HA . 52133 1 31 . 1 . 1 5 5 GLN HB2 H 1 2.031 0.020 . 2 . . . . . 5 GLN HB2 . 52133 1 32 . 1 . 1 5 5 GLN HB3 H 1 1.975 0.020 . 2 . . . . . 5 GLN HB3 . 52133 1 33 . 1 . 1 5 5 GLN HG2 H 1 2.403 0.020 . 2 . . . . . 5 GLN HG2 . 52133 1 34 . 1 . 1 5 5 GLN HG3 H 1 2.233 0.020 . 2 . . . . . 5 GLN HG3 . 52133 1 35 . 1 . 1 5 5 GLN C C 13 179.135 0.3 . 1 . . . . . 5 GLN C . 52133 1 36 . 1 . 1 5 5 GLN CA C 13 59.135 0.3 . 1 . . . . . 5 GLN CA . 52133 1 37 . 1 . 1 5 5 GLN CB C 13 28.705 0.3 . 1 . . . . . 5 GLN CB . 52133 1 38 . 1 . 1 5 5 GLN CG C 13 34.056 0.3 . 1 . . . . . 5 GLN CG . 52133 1 39 . 1 . 1 5 5 GLN N N 15 121.147 0.3 . 1 . . . . . 5 GLN N . 52133 1 40 . 1 . 1 6 6 LEU H H 1 8.457 0.020 . 1 . . . . . 6 LEU H . 52133 1 41 . 1 . 1 6 6 LEU HA H 1 4.013 0.020 . 1 . . . . . 6 LEU HA . 52133 1 42 . 1 . 1 6 6 LEU HB2 H 1 2.010 0.020 . 2 . . . . . 6 LEU HB2 . 52133 1 43 . 1 . 1 6 6 LEU HB3 H 1 1.611 0.020 . 2 . . . . . 6 LEU HB3 . 52133 1 44 . 1 . 1 6 6 LEU HG H 1 1.289 0.020 . 1 . . . . . 6 LEU HG . 52133 1 45 . 1 . 1 6 6 LEU HD11 H 1 0.261 0.020 . 2 . . . . . 6 LEU HD1 . 52133 1 46 . 1 . 1 6 6 LEU HD12 H 1 0.261 0.020 . 2 . . . . . 6 LEU HD1 . 52133 1 47 . 1 . 1 6 6 LEU HD13 H 1 0.261 0.020 . 2 . . . . . 6 LEU HD1 . 52133 1 48 . 1 . 1 6 6 LEU HD21 H 1 0.719 0.020 . 2 . . . . . 6 LEU HD2 . 52133 1 49 . 1 . 1 6 6 LEU HD22 H 1 0.719 0.020 . 2 . . . . . 6 LEU HD2 . 52133 1 50 . 1 . 1 6 6 LEU HD23 H 1 0.719 0.020 . 2 . . . . . 6 LEU HD2 . 52133 1 51 . 1 . 1 6 6 LEU C C 13 177.774 0.3 . 1 . . . . . 6 LEU C . 52133 1 52 . 1 . 1 6 6 LEU CA C 13 57.558 0.3 . 1 . . . . . 6 LEU CA . 52133 1 53 . 1 . 1 6 6 LEU CB C 13 41.415 0.3 . 1 . . . . . 6 LEU CB . 52133 1 54 . 1 . 1 6 6 LEU CG C 13 26.612 0.3 . 1 . . . . . 6 LEU CG . 52133 1 55 . 1 . 1 6 6 LEU CD1 C 13 23.582 0.3 . 1 . . . . . 6 LEU CD1 . 52133 1 56 . 1 . 1 6 6 LEU CD2 C 13 18.640 0.3 . 1 . . . . . 6 LEU CD2 . 52133 1 57 . 1 . 1 6 6 LEU N N 15 122.718 0.3 . 1 . . . . . 6 LEU N . 52133 1 58 . 1 . 1 7 7 GLN H H 1 7.919 0.020 . 1 . . . . . 7 GLN H . 52133 1 59 . 1 . 1 7 7 GLN HA H 1 3.776 0.020 . 1 . . . . . 7 GLN HA . 52133 1 60 . 1 . 1 7 7 GLN HB2 H 1 2.276 0.020 . 2 . . . . . 7 GLN HB2 . 52133 1 61 . 1 . 1 7 7 GLN HB3 H 1 2.236 0.020 . 2 . . . . . 7 GLN HB3 . 52133 1 62 . 1 . 1 7 7 GLN C C 13 177.725 0.3 . 1 . . . . . 7 GLN C . 52133 1 63 . 1 . 1 7 7 GLN CA C 13 59.970 0.3 . 1 . . . . . 7 GLN CA . 52133 1 64 . 1 . 1 7 7 GLN CB C 13 27.917 0.3 . 1 . . . . . 7 GLN CB . 52133 1 65 . 1 . 1 7 7 GLN CG C 13 33.887 0.3 . 1 . . . . . 7 GLN CG . 52133 1 66 . 1 . 1 7 7 GLN N N 15 120.782 0.3 . 1 . . . . . 7 GLN N . 52133 1 67 . 1 . 1 8 8 GLU H H 1 8.162 0.020 . 1 . . . . . 8 GLU H . 52133 1 68 . 1 . 1 8 8 GLU HA H 1 4.032 0.020 . 1 . . . . . 8 GLU HA . 52133 1 69 . 1 . 1 8 8 GLU HB2 H 1 2.017 0.020 . 2 . . . . . 8 GLU HB2 . 52133 1 70 . 1 . 1 8 8 GLU HB3 H 1 1.978 0.020 . 2 . . . . . 8 GLU HB3 . 52133 1 71 . 1 . 1 8 8 GLU HG2 H 1 2.360 0.020 . 2 . . . . . 8 GLU HG2 . 52133 1 72 . 1 . 1 8 8 GLU HG3 H 1 2.159 0.020 . 2 . . . . . 8 GLU HG3 . 52133 1 73 . 1 . 1 8 8 GLU C C 13 178.573 0.3 . 1 . . . . . 8 GLU C . 52133 1 74 . 1 . 1 8 8 GLU CA C 13 59.321 0.3 . 1 . . . . . 8 GLU CA . 52133 1 75 . 1 . 1 8 8 GLU CB C 13 28.798 0.3 . 1 . . . . . 8 GLU CB . 52133 1 76 . 1 . 1 8 8 GLU CG C 13 36.299 0.3 . 1 . . . . . 8 GLU CG . 52133 1 77 . 1 . 1 8 8 GLU N N 15 120.395 0.3 . 1 . . . . . 8 GLU N . 52133 1 78 . 1 . 1 9 9 LEU H H 1 7.804 0.020 . 1 . . . . . 9 LEU H . 52133 1 79 . 1 . 1 9 9 LEU HA H 1 4.030 0.020 . 1 . . . . . 9 LEU HA . 52133 1 80 . 1 . 1 9 9 LEU HB2 H 1 1.973 0.020 . 2 . . . . . 9 LEU HB2 . 52133 1 81 . 1 . 1 9 9 LEU HB3 H 1 1.938 0.020 . 2 . . . . . 9 LEU HB3 . 52133 1 82 . 1 . 1 9 9 LEU HG H 1 1.592 0.020 . 1 . . . . . 9 LEU HG . 52133 1 83 . 1 . 1 9 9 LEU HD11 H 1 0.686 0.020 . 2 . . . . . 9 LEU HD1 . 52133 1 84 . 1 . 1 9 9 LEU HD12 H 1 0.686 0.020 . 2 . . . . . 9 LEU HD1 . 52133 1 85 . 1 . 1 9 9 LEU HD13 H 1 0.686 0.020 . 2 . . . . . 9 LEU HD1 . 52133 1 86 . 1 . 1 9 9 LEU HD21 H 1 0.807 0.020 . 2 . . . . . 9 LEU HD2 . 52133 1 87 . 1 . 1 9 9 LEU HD22 H 1 0.807 0.020 . 2 . . . . . 9 LEU HD2 . 52133 1 88 . 1 . 1 9 9 LEU HD23 H 1 0.807 0.020 . 2 . . . . . 9 LEU HD2 . 52133 1 89 . 1 . 1 9 9 LEU C C 13 179.934 0.3 . 1 . . . . . 9 LEU C . 52133 1 90 . 1 . 1 9 9 LEU CA C 13 57.960 0.3 . 1 . . . . . 9 LEU CA . 52133 1 91 . 1 . 1 9 9 LEU CB C 13 41.415 0.3 . 1 . . . . . 9 LEU CB . 52133 1 92 . 1 . 1 9 9 LEU CG C 13 27.153 0.3 . 1 . . . . . 9 LEU CG . 52133 1 93 . 1 . 1 9 9 LEU CD1 C 13 25.294 0.3 . 1 . . . . . 9 LEU CD1 . 52133 1 94 . 1 . 1 9 9 LEU CD2 C 13 23.434 0.3 . 1 . . . . . 9 LEU CD2 . 52133 1 95 . 1 . 1 9 9 LEU N N 15 121.625 0.3 . 1 . . . . . 9 LEU N . 52133 1 96 . 1 . 1 10 10 ALA H H 1 8.288 0.020 . 1 . . . . . 10 ALA H . 52133 1 97 . 1 . 1 10 10 ALA HA H 1 3.937 0.020 . 1 . . . . . 10 ALA HA . 52133 1 98 . 1 . 1 10 10 ALA HB1 H 1 1.586 0.020 . 1 . . . . . 10 ALA HB . 52133 1 99 . 1 . 1 10 10 ALA HB2 H 1 1.586 0.020 . 1 . . . . . 10 ALA HB . 52133 1 100 . 1 . 1 10 10 ALA HB3 H 1 1.586 0.020 . 1 . . . . . 10 ALA HB . 52133 1 101 . 1 . 1 10 10 ALA C C 13 178.820 0.3 . 1 . . . . . 10 ALA C . 52133 1 102 . 1 . 1 10 10 ALA CA C 13 55.702 0.3 . 1 . . . . . 10 ALA CA . 52133 1 103 . 1 . 1 10 10 ALA CB C 13 17.990 0.3 . 1 . . . . . 10 ALA CB . 52133 1 104 . 1 . 1 10 10 ALA N N 15 123.424 0.3 . 1 . . . . . 10 ALA N . 52133 1 105 . 1 . 1 11 11 GLN H H 1 8.229 0.020 . 1 . . . . . 11 GLN H . 52133 1 106 . 1 . 1 11 11 GLN HA H 1 4.028 0.020 . 1 . . . . . 11 GLN HA . 52133 1 107 . 1 . 1 11 11 GLN HB2 H 1 2.115 0.020 . 2 . . . . . 11 GLN HB2 . 52133 1 108 . 1 . 1 11 11 GLN HB3 H 1 2.078 0.020 . 2 . . . . . 11 GLN HB3 . 52133 1 109 . 1 . 1 11 11 GLN HG2 H 1 2.449 0.020 . 2 . . . . . 11 GLN HG2 . 52133 1 110 . 1 . 1 11 11 GLN HG3 H 1 2.311 0.020 . 2 . . . . . 11 GLN HG3 . 52133 1 111 . 1 . 1 11 11 GLN C C 13 180.079 0.3 . 1 . . . . . 11 GLN C . 52133 1 112 . 1 . 1 11 11 GLN CA C 13 58.996 0.3 . 1 . . . . . 11 GLN CA . 52133 1 113 . 1 . 1 11 11 GLN CB C 13 28.288 0.3 . 1 . . . . . 11 GLN CB . 52133 1 114 . 1 . 1 11 11 GLN CG C 13 34.239 0.3 . 1 . . . . . 11 GLN CG . 52133 1 115 . 1 . 1 11 11 GLN N N 15 117.890 0.3 . 1 . . . . . 11 GLN N . 52133 1 116 . 1 . 1 12 12 ARG H H 1 8.417 0.020 . 1 . . . . . 12 ARG H . 52133 1 117 . 1 . 1 12 12 ARG HA H 1 4.019 0.020 . 1 . . . . . 12 ARG HA . 52133 1 118 . 1 . 1 12 12 ARG HB2 H 1 1.828 0.020 . 2 . . . . . 12 ARG HB2 . 52133 1 119 . 1 . 1 12 12 ARG HB3 H 1 1.790 0.020 . 2 . . . . . 12 ARG HB3 . 52133 1 120 . 1 . 1 12 12 ARG HG2 H 1 1.720 0.020 . 2 . . . . . 12 ARG HG2 . 52133 1 121 . 1 . 1 12 12 ARG HG3 H 1 1.685 0.020 . 2 . . . . . 12 ARG HG3 . 52133 1 122 . 1 . 1 12 12 ARG HD2 H 1 3.097 0.020 . 2 . . . . . 12 ARG HD2 . 52133 1 123 . 1 . 1 12 12 ARG HD3 H 1 3.054 0.020 . 2 . . . . . 12 ARG HD3 . 52133 1 124 . 1 . 1 12 12 ARG C C 13 177.646 0.3 . 1 . . . . . 12 ARG C . 52133 1 125 . 1 . 1 12 12 ARG CA C 13 58.716 0.3 . 1 . . . . . 12 ARG CA . 52133 1 126 . 1 . 1 12 12 ARG CB C 13 29.958 0.3 . 1 . . . . . 12 ARG CB . 52133 1 127 . 1 . 1 12 12 ARG CG C 13 27.153 0.3 . 1 . . . . . 12 ARG CG . 52133 1 128 . 1 . 1 12 12 ARG CD C 13 43.334 0.3 . 1 . . . . . 12 ARG CD . 52133 1 129 . 1 . 1 12 12 ARG N N 15 120.617 0.3 . 1 . . . . . 12 ARG N . 52133 1 130 . 1 . 1 13 13 SER H H 1 7.248 0.020 . 1 . . . . . 13 SER H . 52133 1 131 . 1 . 1 13 13 SER HA H 1 4.098 0.020 . 1 . . . . . 13 SER HA . 52133 1 132 . 1 . 1 13 13 SER C C 13 171.480 0.3 . 1 . . . . . 13 SER C . 52133 1 133 . 1 . 1 13 13 SER CA C 13 58.276 0.3 . 1 . . . . . 13 SER CA . 52133 1 134 . 1 . 1 13 13 SER CB C 13 62.850 0.3 . 1 . . . . . 13 SER CB . 52133 1 135 . 1 . 1 13 13 SER N N 15 113.449 0.3 . 1 . . . . . 13 SER N . 52133 1 136 . 1 . 1 14 14 CYS H H 1 7.665 0.020 . 1 . . . . . 14 CYS H . 52133 1 137 . 1 . 1 14 14 CYS HA H 1 3.911 0.020 . 1 . . . . . 14 CYS HA . 52133 1 138 . 1 . 1 14 14 CYS HB2 H 1 3.004 0.020 . 2 . . . . . 14 CYS HB2 . 52133 1 139 . 1 . 1 14 14 CYS HB3 H 1 2.967 0.020 . 2 . . . . . 14 CYS HB3 . 52133 1 140 . 1 . 1 14 14 CYS C C 13 174.380 0.3 . 1 . . . . . 14 CYS C . 52133 1 141 . 1 . 1 14 14 CYS CA C 13 59.645 0.3 . 1 . . . . . 14 CYS CA . 52133 1 142 . 1 . 1 14 14 CYS CB C 13 24.577 0.3 . 1 . . . . . 14 CYS CB . 52133 1 143 . 1 . 1 14 14 CYS N N 15 114.468 0.3 . 1 . . . . . 14 CYS N . 52133 1 144 . 1 . 1 15 15 PHE H H 1 7.993 0.020 . 1 . . . . . 15 PHE H . 52133 1 145 . 1 . 1 15 15 PHE HA H 1 5.006 0.020 . 1 . . . . . 15 PHE HA . 52133 1 146 . 1 . 1 15 15 PHE HB2 H 1 3.080 0.020 . 2 . . . . . 15 PHE HB2 . 52133 1 147 . 1 . 1 15 15 PHE HB3 H 1 2.545 0.020 . 2 . . . . . 15 PHE HB3 . 52133 1 148 . 1 . 1 15 15 PHE C C 13 176.081 0.3 . 1 . . . . . 15 PHE C . 52133 1 149 . 1 . 1 15 15 PHE CA C 13 52.687 0.3 . 1 . . . . . 15 PHE CA . 52133 1 150 . 1 . 1 15 15 PHE CB C 13 39.606 0.3 . 1 . . . . . 15 PHE CB . 52133 1 151 . 1 . 1 15 15 PHE N N 15 118.657 0.3 . 1 . . . . . 15 PHE N . 52133 1 152 . 1 . 1 16 16 SER H H 1 8.181 0.020 . 1 . . . . . 16 SER H . 52133 1 153 . 1 . 1 16 16 SER HA H 1 4.285 0.020 . 1 . . . . . 16 SER HA . 52133 1 154 . 1 . 1 16 16 SER HB2 H 1 3.809 0.020 . 2 . . . . . 16 SER HB2 . 52133 1 155 . 1 . 1 16 16 SER HB3 H 1 3.751 0.020 . 2 . . . . . 16 SER HB3 . 52133 1 156 . 1 . 1 16 16 SER C C 13 173.632 0.3 . 1 . . . . . 16 SER C . 52133 1 157 . 1 . 1 16 16 SER CA C 13 58.718 0.3 . 1 . . . . . 16 SER CA . 52133 1 158 . 1 . 1 16 16 SER CB C 13 63.237 0.3 . 1 . . . . . 16 SER CB . 52133 1 159 . 1 . 1 16 16 SER N N 15 115.681 0.3 . 1 . . . . . 16 SER N . 52133 1 160 . 1 . 1 17 17 LEU H H 1 8.324 0.020 . 1 . . . . . 17 LEU H . 52133 1 161 . 1 . 1 17 17 LEU HA H 1 4.314 0.020 . 1 . . . . . 17 LEU HA . 52133 1 162 . 1 . 1 17 17 LEU HB2 H 1 1.677 0.020 . 2 . . . . . 17 LEU HB2 . 52133 1 163 . 1 . 1 17 17 LEU HB3 H 1 1.541 0.020 . 2 . . . . . 17 LEU HB3 . 52133 1 164 . 1 . 1 17 17 LEU HD11 H 1 0.885 0.020 . 1 . . . . . 17 LEU HD1 . 52133 1 165 . 1 . 1 17 17 LEU HD12 H 1 0.885 0.020 . 1 . . . . . 17 LEU HD1 . 52133 1 166 . 1 . 1 17 17 LEU HD13 H 1 0.885 0.020 . 1 . . . . . 17 LEU HD1 . 52133 1 167 . 1 . 1 17 17 LEU HD21 H 1 0.885 0.020 . 1 . . . . . 17 LEU HD2 . 52133 1 168 . 1 . 1 17 17 LEU HD22 H 1 0.885 0.020 . 1 . . . . . 17 LEU HD2 . 52133 1 169 . 1 . 1 17 17 LEU HD23 H 1 0.885 0.020 . 1 . . . . . 17 LEU HD2 . 52133 1 170 . 1 . 1 17 17 LEU C C 13 175.452 0.3 . 1 . . . . . 17 LEU C . 52133 1 171 . 1 . 1 17 17 LEU CA C 13 53.801 0.3 . 1 . . . . . 17 LEU CA . 52133 1 172 . 1 . 1 17 17 LEU CB C 13 39.745 0.3 . 1 . . . . . 17 LEU CB . 52133 1 173 . 1 . 1 17 17 LEU N N 15 123.697 0.3 . 1 . . . . . 17 LEU N . 52133 1 174 . 1 . 1 18 18 PRO HA H 1 4.622 0.020 . 1 . . . . . 18 PRO HA . 52133 1 175 . 1 . 1 18 18 PRO HB2 H 1 2.172 0.020 . 2 . . . . . 18 PRO HB2 . 52133 1 176 . 1 . 1 18 18 PRO HB3 H 1 2.019 0.020 . 2 . . . . . 18 PRO HB3 . 52133 1 177 . 1 . 1 18 18 PRO HG2 H 1 1.963 0.020 . 2 . . . . . 18 PRO HG2 . 52133 1 178 . 1 . 1 18 18 PRO HG3 H 1 1.698 0.020 . 2 . . . . . 18 PRO HG3 . 52133 1 179 . 1 . 1 18 18 PRO C C 13 175.239 0.3 . 1 . . . . . 18 PRO C . 52133 1 180 . 1 . 1 18 18 PRO CA C 13 62.939 0.3 . 1 . . . . . 18 PRO CA . 52133 1 181 . 1 . 1 18 18 PRO CB C 13 32.184 0.3 . 1 . . . . . 18 PRO CB . 52133 1 182 . 1 . 1 18 18 PRO CG C 13 28.108 0.3 . 1 . . . . . 18 PRO CG . 52133 1 183 . 1 . 1 18 18 PRO CD C 13 50.269 0.3 . 1 . . . . . 18 PRO CD . 52133 1 184 . 1 . 1 19 19 SER H H 1 7.642 0.020 . 1 . . . . . 19 SER H . 52133 1 185 . 1 . 1 19 19 SER HA H 1 4.854 0.020 . 1 . . . . . 19 SER HA . 52133 1 186 . 1 . 1 19 19 SER HB2 H 1 3.752 0.020 . 2 . . . . . 19 SER HB2 . 52133 1 187 . 1 . 1 19 19 SER HB3 H 1 3.703 0.020 . 2 . . . . . 19 SER HB3 . 52133 1 188 . 1 . 1 19 19 SER C C 13 173.138 0.3 . 1 . . . . . 19 SER C . 52133 1 189 . 1 . 1 19 19 SER CA C 13 55.934 0.3 . 1 . . . . . 19 SER CA . 52133 1 190 . 1 . 1 19 19 SER CB C 13 65.119 0.3 . 1 . . . . . 19 SER CB . 52133 1 191 . 1 . 1 19 19 SER N N 15 116.250 0.3 . 1 . . . . . 19 SER N . 52133 1 192 . 1 . 1 20 20 TYR H H 1 9.055 0.020 . 1 . . . . . 20 TYR H . 52133 1 193 . 1 . 1 20 20 TYR HA H 1 5.357 0.020 . 1 . . . . . 20 TYR HA . 52133 1 194 . 1 . 1 20 20 TYR HB2 H 1 2.758 0.020 . 2 . . . . . 20 TYR HB2 . 52133 1 195 . 1 . 1 20 20 TYR HB3 H 1 2.714 0.020 . 2 . . . . . 20 TYR HB3 . 52133 1 196 . 1 . 1 20 20 TYR C C 13 176.386 0.3 . 1 . . . . . 20 TYR C . 52133 1 197 . 1 . 1 20 20 TYR CA C 13 57.651 0.3 . 1 . . . . . 20 TYR CA . 52133 1 198 . 1 . 1 20 20 TYR CB C 13 41.554 0.3 . 1 . . . . . 20 TYR CB . 52133 1 199 . 1 . 1 20 20 TYR N N 15 125.314 0.3 . 1 . . . . . 20 TYR N . 52133 1 200 . 1 . 1 21 21 THR H H 1 8.911 0.020 . 1 . . . . . 21 THR H . 52133 1 201 . 1 . 1 21 21 THR HA H 1 4.582 0.020 . 1 . . . . . 21 THR HA . 52133 1 202 . 1 . 1 21 21 THR HB H 1 4.086 0.020 . 1 . . . . . 21 THR HB . 52133 1 203 . 1 . 1 21 21 THR HG21 H 1 1.090 0.020 . 1 . . . . . 21 THR HG2 . 52133 1 204 . 1 . 1 21 21 THR HG22 H 1 1.090 0.020 . 1 . . . . . 21 THR HG2 . 52133 1 205 . 1 . 1 21 21 THR HG23 H 1 1.090 0.020 . 1 . . . . . 21 THR HG2 . 52133 1 206 . 1 . 1 21 21 THR C C 13 173.649 0.3 . 1 . . . . . 21 THR C . 52133 1 207 . 1 . 1 21 21 THR CA C 13 60.944 0.3 . 1 . . . . . 21 THR CA . 52133 1 208 . 1 . 1 21 21 THR CB C 13 71.057 0.3 . 1 . . . . . 21 THR CB . 52133 1 209 . 1 . 1 21 21 THR CG2 C 13 21.173 0.3 . 1 . . . . . 21 THR CG2 . 52133 1 210 . 1 . 1 21 21 THR N N 15 116.956 0.3 . 1 . . . . . 21 THR N . 52133 1 211 . 1 . 1 22 22 CYS H H 1 8.885 0.020 . 1 . . . . . 22 CYS H . 52133 1 212 . 1 . 1 22 22 CYS HA H 1 5.363 0.020 . 1 . . . . . 22 CYS HA . 52133 1 213 . 1 . 1 22 22 CYS HB2 H 1 2.895 0.020 . 1 . . . . . 22 CYS HB2 . 52133 1 214 . 1 . 1 22 22 CYS C C 13 173.717 0.3 . 1 . . . . . 22 CYS C . 52133 1 215 . 1 . 1 22 22 CYS CA C 13 57.419 0.3 . 1 . . . . . 22 CYS CA . 52133 1 216 . 1 . 1 22 22 CYS CB C 13 30.097 0.3 . 1 . . . . . 22 CYS CB . 52133 1 217 . 1 . 1 22 22 CYS N N 15 122.302 0.3 . 1 . . . . . 22 CYS N . 52133 1 218 . 1 . 1 23 23 THR H H 1 8.933 0.020 . 1 . . . . . 23 THR H . 52133 1 219 . 1 . 1 23 23 THR HA H 1 4.531 0.020 . 1 . . . . . 23 THR HA . 52133 1 220 . 1 . 1 23 23 THR HB H 1 3.996 0.020 . 1 . . . . . 23 THR HB . 52133 1 221 . 1 . 1 23 23 THR HG21 H 1 1.136 0.020 . 1 . . . . . 23 THR HG2 . 52133 1 222 . 1 . 1 23 23 THR HG22 H 1 1.136 0.020 . 1 . . . . . 23 THR HG2 . 52133 1 223 . 1 . 1 23 23 THR HG23 H 1 1.136 0.020 . 1 . . . . . 23 THR HG2 . 52133 1 224 . 1 . 1 23 23 THR C C 13 172.075 0.3 . 1 . . . . . 23 THR C . 52133 1 225 . 1 . 1 23 23 THR CA C 13 61.269 0.3 . 1 . . . . . 23 THR CA . 52133 1 226 . 1 . 1 23 23 THR CB C 13 70.778 0.3 . 1 . . . . . 23 THR CB . 52133 1 227 . 1 . 1 23 23 THR CG2 C 13 21.374 0.3 . 1 . . . . . 23 THR CG2 . 52133 1 228 . 1 . 1 23 23 THR N N 15 121.238 0.3 . 1 . . . . . 23 THR N . 52133 1 229 . 1 . 1 24 24 ARG H H 1 8.483 0.020 . 1 . . . . . 24 ARG H . 52133 1 230 . 1 . 1 24 24 ARG HA H 1 4.853 0.020 . 1 . . . . . 24 ARG HA . 52133 1 231 . 1 . 1 24 24 ARG HB2 H 1 1.501 0.020 . 2 . . . . . 24 ARG HB2 . 52133 1 232 . 1 . 1 24 24 ARG HB3 H 1 1.442 0.020 . 2 . . . . . 24 ARG HB3 . 52133 1 233 . 1 . 1 24 24 ARG HG2 H 1 1.128 0.020 . 2 . . . . . 24 ARG HG2 . 52133 1 234 . 1 . 1 24 24 ARG HG3 H 1 0.814 0.020 . 2 . . . . . 24 ARG HG3 . 52133 1 235 . 1 . 1 24 24 ARG HD2 H 1 2.824 0.020 . 2 . . . . . 24 ARG HD2 . 52133 1 236 . 1 . 1 24 24 ARG HD3 H 1 2.792 0.020 . 2 . . . . . 24 ARG HD3 . 52133 1 237 . 1 . 1 24 24 ARG C C 13 174.789 0.3 . 1 . . . . . 24 ARG C . 52133 1 238 . 1 . 1 24 24 ARG CA C 13 54.079 0.3 . 1 . . . . . 24 ARG CA . 52133 1 239 . 1 . 1 24 24 ARG CB C 13 32.370 0.3 . 1 . . . . . 24 ARG CB . 52133 1 240 . 1 . 1 24 24 ARG CG C 13 26.651 0.3 . 1 . . . . . 24 ARG CG . 52133 1 241 . 1 . 1 24 24 ARG CD C 13 42.932 0.3 . 1 . . . . . 24 ARG CD . 52133 1 242 . 1 . 1 24 24 ARG N N 15 126.089 0.3 . 1 . . . . . 24 ARG N . 52133 1 243 . 1 . 1 25 25 GLU H H 1 8.690 0.020 . 1 . . . . . 25 GLU H . 52133 1 244 . 1 . 1 25 25 GLU HA H 1 4.535 0.020 . 1 . . . . . 25 GLU HA . 52133 1 245 . 1 . 1 25 25 GLU HB2 H 1 1.847 0.020 . 2 . . . . . 25 GLU HB2 . 52133 1 246 . 1 . 1 25 25 GLU HB3 H 1 1.466 0.020 . 2 . . . . . 25 GLU HB3 . 52133 1 247 . 1 . 1 25 25 GLU HG2 H 1 2.000 0.020 . 2 . . . . . 25 GLU HG2 . 52133 1 248 . 1 . 1 25 25 GLU HG3 H 1 1.945 0.020 . 2 . . . . . 25 GLU HG3 . 52133 1 249 . 1 . 1 25 25 GLU C C 13 175.103 0.3 . 1 . . . . . 25 GLU C . 52133 1 250 . 1 . 1 25 25 GLU CA C 13 54.258 0.3 . 1 . . . . . 25 GLU CA . 52133 1 251 . 1 . 1 25 25 GLU CB C 13 33.530 0.3 . 1 . . . . . 25 GLU CB . 52133 1 252 . 1 . 1 25 25 GLU CG C 13 35.847 0.3 . 1 . . . . . 25 GLU CG . 52133 1 253 . 1 . 1 25 25 GLU N N 15 126.066 0.3 . 1 . . . . . 25 GLU N . 52133 1 254 . 1 . 1 26 26 GLY H H 1 8.269 0.020 . 1 . . . . . 26 GLY H . 52133 1 255 . 1 . 1 26 26 GLY HA2 H 1 4.122 0.020 . 1 . . . . . 26 GLY HA2 . 52133 1 256 . 1 . 1 26 26 GLY HA3 H 1 3.699 0.020 . 2 . . . . . 26 GLY HA3 . 52133 1 257 . 1 . 1 26 26 GLY C C 13 171.293 0.3 . 1 . . . . . 26 GLY C . 52133 1 258 . 1 . 1 26 26 GLY CA C 13 43.781 0.3 . 1 . . . . . 26 GLY CA . 52133 1 259 . 1 . 1 26 26 GLY N N 15 108.119 0.3 . 1 . . . . . 26 GLY N . 52133 1 260 . 1 . 1 27 27 PRO HA H 1 4.374 0.020 . 1 . . . . . 27 PRO HA . 52133 1 261 . 1 . 1 27 27 PRO HB2 H 1 2.094 0.020 . 2 . . . . . 27 PRO HB2 . 52133 1 262 . 1 . 1 27 27 PRO HB3 H 1 1.807 0.020 . 2 . . . . . 27 PRO HB3 . 52133 1 263 . 1 . 1 27 27 PRO HG2 H 1 1.627 0.020 . 2 . . . . . 27 PRO HG2 . 52133 1 264 . 1 . 1 27 27 PRO HG3 H 1 1.093 0.020 . 2 . . . . . 27 PRO HG3 . 52133 1 265 . 1 . 1 27 27 PRO HD2 H 1 3.350 0.020 . 2 . . . . . 27 PRO HD2 . 52133 1 266 . 1 . 1 27 27 PRO HD3 H 1 3.299 0.020 . 2 . . . . . 27 PRO HD3 . 52133 1 267 . 1 . 1 27 27 PRO C C 13 177.349 0.3 . 1 . . . . . 27 PRO C . 52133 1 268 . 1 . 1 27 27 PRO CA C 13 61.750 0.3 . 1 . . . . . 27 PRO CA . 52133 1 269 . 1 . 1 27 27 PRO CB C 13 32.175 0.3 . 1 . . . . . 27 PRO CB . 52133 1 270 . 1 . 1 27 27 PRO CG C 13 26.450 0.3 . 1 . . . . . 27 PRO CG . 52133 1 271 . 1 . 1 27 27 PRO CD C 13 48.360 0.3 . 1 . . . . . 27 PRO CD . 52133 1 272 . 1 . 1 28 28 ASP H H 1 8.619 0.020 . 1 . . . . . 28 ASP H . 52133 1 273 . 1 . 1 28 28 ASP HA H 1 3.993 0.020 . 1 . . . . . 28 ASP HA . 52133 1 274 . 1 . 1 28 28 ASP HB2 H 1 2.588 0.020 . 2 . . . . . 28 ASP HB2 . 52133 1 275 . 1 . 1 28 28 ASP HB3 H 1 2.537 0.020 . 2 . . . . . 28 ASP HB3 . 52133 1 276 . 1 . 1 28 28 ASP C C 13 176.966 0.3 . 1 . . . . . 28 ASP C . 52133 1 277 . 1 . 1 28 28 ASP CA C 13 57.326 0.3 . 1 . . . . . 28 ASP CA . 52133 1 278 . 1 . 1 28 28 ASP CB C 13 39.977 0.3 . 1 . . . . . 28 ASP CB . 52133 1 279 . 1 . 1 28 28 ASP N N 15 120.219 0.3 . 1 . . . . . 28 ASP N . 52133 1 280 . 1 . 1 29 29 HIS H H 1 7.462 0.020 . 1 . . . . . 29 HIS H . 52133 1 281 . 1 . 1 29 29 HIS HA H 1 4.492 0.020 . 1 . . . . . 29 HIS HA . 52133 1 282 . 1 . 1 29 29 HIS HB2 H 1 3.256 0.020 . 2 . . . . . 29 HIS HB2 . 52133 1 283 . 1 . 1 29 29 HIS HB3 H 1 2.863 0.020 . 2 . . . . . 29 HIS HB3 . 52133 1 284 . 1 . 1 29 29 HIS C C 13 175.095 0.3 . 1 . . . . . 29 HIS C . 52133 1 285 . 1 . 1 29 29 HIS CA C 13 55.842 0.3 . 1 . . . . . 29 HIS CA . 52133 1 286 . 1 . 1 29 29 HIS CB C 13 29.819 0.3 . 1 . . . . . 29 HIS CB . 52133 1 287 . 1 . 1 29 29 HIS N N 15 112.084 0.3 . 1 . . . . . 29 HIS N . 52133 1 288 . 1 . 1 30 30 ALA H H 1 7.085 0.020 . 1 . . . . . 30 ALA H . 52133 1 289 . 1 . 1 30 30 ALA HA H 1 4.488 0.020 . 1 . . . . . 30 ALA HA . 52133 1 290 . 1 . 1 30 30 ALA HB1 H 1 1.673 0.020 . 1 . . . . . 30 ALA HB . 52133 1 291 . 1 . 1 30 30 ALA HB2 H 1 1.673 0.020 . 1 . . . . . 30 ALA HB . 52133 1 292 . 1 . 1 30 30 ALA HB3 H 1 1.673 0.020 . 1 . . . . . 30 ALA HB . 52133 1 293 . 1 . 1 30 30 ALA C C 13 178.403 0.3 . 1 . . . . . 30 ALA C . 52133 1 294 . 1 . 1 30 30 ALA CA C 13 50.600 0.3 . 1 . . . . . 30 ALA CA . 52133 1 295 . 1 . 1 30 30 ALA CB C 13 18.083 0.3 . 1 . . . . . 30 ALA CB . 52133 1 296 . 1 . 1 30 30 ALA N N 15 125.232 0.3 . 1 . . . . . 30 ALA N . 52133 1 297 . 1 . 1 31 31 PRO HA H 1 4.233 0.020 . 1 . . . . . 31 PRO HA . 52133 1 298 . 1 . 1 31 31 PRO HB2 H 1 1.632 0.020 . 2 . . . . . 31 PRO HB2 . 52133 1 299 . 1 . 1 31 31 PRO HB3 H 1 1.507 0.020 . 2 . . . . . 31 PRO HB3 . 52133 1 300 . 1 . 1 31 31 PRO HG2 H 1 1.242 0.020 . 1 . . . . . 31 PRO HG2 . 52133 1 301 . 1 . 1 31 31 PRO C C 13 175.767 0.3 . 1 . . . . . 31 PRO C . 52133 1 302 . 1 . 1 31 31 PRO CA C 13 62.802 0.3 . 1 . . . . . 31 PRO CA . 52133 1 303 . 1 . 1 31 31 PRO CB C 13 32.132 0.3 . 1 . . . . . 31 PRO CB . 52133 1 304 . 1 . 1 31 31 PRO CG C 13 26.751 0.3 . 1 . . . . . 31 PRO CG . 52133 1 305 . 1 . 1 31 31 PRO CD C 13 49.214 0.3 . 1 . . . . . 31 PRO CD . 52133 1 306 . 1 . 1 32 32 ARG H H 1 8.157 0.020 . 1 . . . . . 32 ARG H . 52133 1 307 . 1 . 1 32 32 ARG HA H 1 4.657 0.020 . 1 . . . . . 32 ARG HA . 52133 1 308 . 1 . 1 32 32 ARG HB2 H 1 2.735 0.020 . 2 . . . . . 32 ARG HB2 . 52133 1 309 . 1 . 1 32 32 ARG HB3 H 1 2.379 0.020 . 2 . . . . . 32 ARG HB3 . 52133 1 310 . 1 . 1 32 32 ARG HG2 H 1 1.262 0.020 . 2 . . . . . 32 ARG HG2 . 52133 1 311 . 1 . 1 32 32 ARG HG3 H 1 1.184 0.020 . 2 . . . . . 32 ARG HG3 . 52133 1 312 . 1 . 1 32 32 ARG HD2 H 1 3.113 0.020 . 2 . . . . . 32 ARG HD2 . 52133 1 313 . 1 . 1 32 32 ARG HD3 H 1 3.054 0.020 . 2 . . . . . 32 ARG HD3 . 52133 1 314 . 1 . 1 32 32 ARG C C 13 174.720 0.3 . 1 . . . . . 32 ARG C . 52133 1 315 . 1 . 1 32 32 ARG CA C 13 54.172 0.3 . 1 . . . . . 32 ARG CA . 52133 1 316 . 1 . 1 32 32 ARG CB C 13 32.648 0.3 . 1 . . . . . 32 ARG CB . 52133 1 317 . 1 . 1 32 32 ARG CG C 13 26.550 0.3 . 1 . . . . . 32 ARG CG . 52133 1 318 . 1 . 1 32 32 ARG CD C 13 43.083 0.3 . 1 . . . . . 32 ARG CD . 52133 1 319 . 1 . 1 32 32 ARG N N 15 117.640 0.3 . 1 . . . . . 32 ARG N . 52133 1 320 . 1 . 1 33 33 PHE H H 1 9.239 0.020 . 1 . . . . . 33 PHE H . 52133 1 321 . 1 . 1 33 33 PHE HA H 1 5.490 0.020 . 1 . . . . . 33 PHE HA . 52133 1 322 . 1 . 1 33 33 PHE HB2 H 1 2.519 0.020 . 2 . . . . . 33 PHE HB2 . 52133 1 323 . 1 . 1 33 33 PHE HB3 H 1 2.435 0.020 . 2 . . . . . 33 PHE HB3 . 52133 1 324 . 1 . 1 33 33 PHE C C 13 175.526 0.3 . 1 . . . . . 33 PHE C . 52133 1 325 . 1 . 1 33 33 PHE CA C 13 57.326 0.3 . 1 . . . . . 33 PHE CA . 52133 1 326 . 1 . 1 33 33 PHE CB C 13 43.317 0.3 . 1 . . . . . 33 PHE CB . 52133 1 327 . 1 . 1 33 33 PHE N N 15 119.438 0.3 . 1 . . . . . 33 PHE N . 52133 1 328 . 1 . 1 34 34 LYS H H 1 8.690 0.020 . 1 . . . . . 34 LYS H . 52133 1 329 . 1 . 1 34 34 LYS HA H 1 4.469 0.020 . 1 . . . . . 34 LYS HA . 52133 1 330 . 1 . 1 34 34 LYS HB2 H 1 2.235 0.020 . 2 . . . . . 34 LYS HB2 . 52133 1 331 . 1 . 1 34 34 LYS HB3 H 1 2.064 0.020 . 2 . . . . . 34 LYS HB3 . 52133 1 332 . 1 . 1 34 34 LYS HG2 H 1 1.032 0.020 . 2 . . . . . 34 LYS HG2 . 52133 1 333 . 1 . 1 34 34 LYS HG3 H 1 0.912 0.020 . 2 . . . . . 34 LYS HG3 . 52133 1 334 . 1 . 1 34 34 LYS HD2 H 1 1.416 0.020 . 2 . . . . . 34 LYS HD2 . 52133 1 335 . 1 . 1 34 34 LYS HD3 H 1 1.381 0.020 . 2 . . . . . 34 LYS HD3 . 52133 1 336 . 1 . 1 34 34 LYS C C 13 174.057 0.3 . 1 . . . . . 34 LYS C . 52133 1 337 . 1 . 1 34 34 LYS CA C 13 55.934 0.3 . 1 . . . . . 34 LYS CA . 52133 1 338 . 1 . 1 34 34 LYS CB C 13 35.988 0.3 . 1 . . . . . 34 LYS CB . 52133 1 339 . 1 . 1 34 34 LYS CG C 13 25.595 0.3 . 1 . . . . . 34 LYS CG . 52133 1 340 . 1 . 1 34 34 LYS CD C 13 29.012 0.3 . 1 . . . . . 34 LYS CD . 52133 1 341 . 1 . 1 34 34 LYS CE C 13 41.425 0.3 . 1 . . . . . 34 LYS CE . 52133 1 342 . 1 . 1 34 34 LYS N N 15 123.111 0.3 . 1 . . . . . 34 LYS N . 52133 1 343 . 1 . 1 35 35 ALA H H 1 8.365 0.020 . 1 . . . . . 35 ALA H . 52133 1 344 . 1 . 1 35 35 ALA HA H 1 5.490 0.020 . 1 . . . . . 35 ALA HA . 52133 1 345 . 1 . 1 35 35 ALA HB1 H 1 1.331 0.020 . 1 . . . . . 35 ALA HB . 52133 1 346 . 1 . 1 35 35 ALA HB2 H 1 1.331 0.020 . 1 . . . . . 35 ALA HB . 52133 1 347 . 1 . 1 35 35 ALA HB3 H 1 1.331 0.020 . 1 . . . . . 35 ALA HB . 52133 1 348 . 1 . 1 35 35 ALA C C 13 175.282 0.3 . 1 . . . . . 35 ALA C . 52133 1 349 . 1 . 1 35 35 ALA CA C 13 50.461 0.3 . 1 . . . . . 35 ALA CA . 52133 1 350 . 1 . 1 35 35 ALA CB C 13 22.304 0.3 . 1 . . . . . 35 ALA CB . 52133 1 351 . 1 . 1 35 35 ALA N N 15 124.910 0.3 . 1 . . . . . 35 ALA N . 52133 1 352 . 1 . 1 36 36 SER H H 1 8.616 0.020 . 1 . . . . . 36 SER H . 52133 1 353 . 1 . 1 36 36 SER HA H 1 5.371 0.020 . 1 . . . . . 36 SER HA . 52133 1 354 . 1 . 1 36 36 SER HB2 H 1 3.530 0.020 . 2 . . . . . 36 SER HB2 . 52133 1 355 . 1 . 1 36 36 SER HB3 H 1 3.485 0.020 . 2 . . . . . 36 SER HB3 . 52133 1 356 . 1 . 1 36 36 SER C C 13 172.203 0.3 . 1 . . . . . 36 SER C . 52133 1 357 . 1 . 1 36 36 SER CA C 13 56.213 0.3 . 1 . . . . . 36 SER CA . 52133 1 358 . 1 . 1 36 36 SER CB C 13 65.537 0.3 . 1 . . . . . 36 SER CB . 52133 1 359 . 1 . 1 36 36 SER N N 15 115.094 0.3 . 1 . . . . . 36 SER N . 52133 1 360 . 1 . 1 37 37 VAL H H 1 9.418 0.020 . 1 . . . . . 37 VAL H . 52133 1 361 . 1 . 1 37 37 VAL HA H 1 4.769 0.020 . 1 . . . . . 37 VAL HA . 52133 1 362 . 1 . 1 37 37 VAL HB H 1 1.427 0.020 . 1 . . . . . 37 VAL HB . 52133 1 363 . 1 . 1 37 37 VAL HG11 H 1 0.025 0.020 . 2 . . . . . 37 VAL HG1 . 52133 1 364 . 1 . 1 37 37 VAL HG12 H 1 0.025 0.020 . 2 . . . . . 37 VAL HG1 . 52133 1 365 . 1 . 1 37 37 VAL HG13 H 1 0.025 0.020 . 2 . . . . . 37 VAL HG1 . 52133 1 366 . 1 . 1 37 37 VAL HG21 H 1 0.765 0.020 . 2 . . . . . 37 VAL HG2 . 52133 1 367 . 1 . 1 37 37 VAL HG22 H 1 0.765 0.020 . 2 . . . . . 37 VAL HG2 . 52133 1 368 . 1 . 1 37 37 VAL HG23 H 1 0.765 0.020 . 2 . . . . . 37 VAL HG2 . 52133 1 369 . 1 . 1 37 37 VAL C C 13 171.057 0.3 . 1 . . . . . 37 VAL C . 52133 1 370 . 1 . 1 37 37 VAL CA C 13 57.465 0.3 . 1 . . . . . 37 VAL CA . 52133 1 371 . 1 . 1 37 37 VAL CB C 13 35.571 0.3 . 1 . . . . . 37 VAL CB . 52133 1 372 . 1 . 1 37 37 VAL CG1 C 13 22.681 0.3 . 1 . . . . . 37 VAL CG1 . 52133 1 373 . 1 . 1 37 37 VAL CG2 C 13 20.118 0.3 . 1 . . . . . 37 VAL CG2 . 52133 1 374 . 1 . 1 37 37 VAL N N 15 123.686 0.3 . 1 . . . . . 37 VAL N . 52133 1 375 . 1 . 1 38 38 ASN H H 1 8.406 0.020 . 1 . . . . . 38 ASN H . 52133 1 376 . 1 . 1 38 38 ASN HA H 1 5.007 0.020 . 1 . . . . . 38 ASN HA . 52133 1 377 . 1 . 1 38 38 ASN HB2 H 1 2.814 0.020 . 2 . . . . . 38 ASN HB2 . 52133 1 378 . 1 . 1 38 38 ASN HB3 H 1 2.237 0.020 . 2 . . . . . 38 ASN HB3 . 52133 1 379 . 1 . 1 38 38 ASN C C 13 175.163 0.3 . 1 . . . . . 38 ASN C . 52133 1 380 . 1 . 1 38 38 ASN CA C 13 51.017 0.3 . 1 . . . . . 38 ASN CA . 52133 1 381 . 1 . 1 38 38 ASN CB C 13 38.771 0.3 . 1 . . . . . 38 ASN CB . 52133 1 382 . 1 . 1 38 38 ASN N N 15 126.704 0.3 . 1 . . . . . 38 ASN N . 52133 1 383 . 1 . 1 39 39 PHE H H 1 9.287 0.020 . 1 . . . . . 39 PHE H . 52133 1 384 . 1 . 1 39 39 PHE HA H 1 4.701 0.020 . 1 . . . . . 39 PHE HA . 52133 1 385 . 1 . 1 39 39 PHE HB2 H 1 3.288 0.020 . 2 . . . . . 39 PHE HB2 . 52133 1 386 . 1 . 1 39 39 PHE HB3 H 1 2.447 0.020 . 2 . . . . . 39 PHE HB3 . 52133 1 387 . 1 . 1 39 39 PHE C C 13 174.644 0.3 . 1 . . . . . 39 PHE C . 52133 1 388 . 1 . 1 39 39 PHE CA C 13 56.166 0.3 . 1 . . . . . 39 PHE CA . 52133 1 389 . 1 . 1 39 39 PHE CB C 13 41.276 0.3 . 1 . . . . . 39 PHE CB . 52133 1 390 . 1 . 1 39 39 PHE N N 15 127.694 0.3 . 1 . . . . . 39 PHE N . 52133 1 391 . 1 . 1 40 40 ASN H H 1 9.176 0.020 . 1 . . . . . 40 ASN H . 52133 1 392 . 1 . 1 40 40 ASN HA H 1 3.818 0.020 . 1 . . . . . 40 ASN HA . 52133 1 393 . 1 . 1 40 40 ASN HB2 H 1 2.630 0.020 . 2 . . . . . 40 ASN HB2 . 52133 1 394 . 1 . 1 40 40 ASN HB3 H 1 0.992 0.020 . 2 . . . . . 40 ASN HB3 . 52133 1 395 . 1 . 1 40 40 ASN C C 13 174.036 0.3 . 1 . . . . . 40 ASN C . 52133 1 396 . 1 . 1 40 40 ASN CA C 13 53.198 0.3 . 1 . . . . . 40 ASN CA . 52133 1 397 . 1 . 1 40 40 ASN CB C 13 37.612 0.3 . 1 . . . . . 40 ASN CB . 52133 1 398 . 1 . 1 40 40 ASN N N 15 128.526 0.3 . 1 . . . . . 40 ASN N . 52133 1 399 . 1 . 1 41 41 GLY H H 1 7.889 0.020 . 1 . . . . . 41 GLY H . 52133 1 400 . 1 . 1 41 41 GLY HA2 H 1 3.991 0.020 . 2 . . . . . 41 GLY HA2 . 52133 1 401 . 1 . 1 41 41 GLY HA3 H 1 3.397 0.020 . 2 . . . . . 41 GLY HA3 . 52133 1 402 . 1 . 1 41 41 GLY C C 13 173.402 0.3 . 1 . . . . . 41 GLY C . 52133 1 403 . 1 . 1 41 41 GLY CA C 13 44.987 0.3 . 1 . . . . . 41 GLY CA . 52133 1 404 . 1 . 1 41 41 GLY N N 15 104.746 0.3 . 1 . . . . . 41 GLY N . 52133 1 405 . 1 . 1 42 42 GLU H H 1 7.631 0.020 . 1 . . . . . 42 GLU H . 52133 1 406 . 1 . 1 42 42 GLU HA H 1 4.166 0.020 . 1 . . . . . 42 GLU HA . 52133 1 407 . 1 . 1 42 42 GLU HB2 H 1 1.978 0.020 . 1 . . . . . 42 GLU HB2 . 52133 1 408 . 1 . 1 42 42 GLU HG2 H 1 1.702 0.020 . 1 . . . . . 42 GLU HG2 . 52133 1 409 . 1 . 1 42 42 GLU C C 13 173.326 0.3 . 1 . . . . . 42 GLU C . 52133 1 410 . 1 . 1 42 42 GLU CA C 13 54.728 0.3 . 1 . . . . . 42 GLU CA . 52133 1 411 . 1 . 1 42 42 GLU CB C 13 31.906 0.3 . 1 . . . . . 42 GLU CB . 52133 1 412 . 1 . 1 42 42 GLU CG C 13 36.450 0.3 . 1 . . . . . 42 GLU CG . 52133 1 413 . 1 . 1 42 42 GLU N N 15 123.219 0.3 . 1 . . . . . 42 GLU N . 52133 1 414 . 1 . 1 43 43 ILE H H 1 7.804 0.020 . 1 . . . . . 43 ILE H . 52133 1 415 . 1 . 1 43 43 ILE HA H 1 4.812 0.020 . 1 . . . . . 43 ILE HA . 52133 1 416 . 1 . 1 43 43 ILE HB H 1 1.648 0.020 . 1 . . . . . 43 ILE HB . 52133 1 417 . 1 . 1 43 43 ILE HG12 H 1 1.421 0.020 . 2 . . . . . 43 ILE HG12 . 52133 1 418 . 1 . 1 43 43 ILE HG13 H 1 1.370 0.020 . 2 . . . . . 43 ILE HG13 . 52133 1 419 . 1 . 1 43 43 ILE HG21 H 1 0.893 0.020 . 1 . . . . . 43 ILE HG2 . 52133 1 420 . 1 . 1 43 43 ILE HG22 H 1 0.893 0.020 . 1 . . . . . 43 ILE HG2 . 52133 1 421 . 1 . 1 43 43 ILE HG23 H 1 0.893 0.020 . 1 . . . . . 43 ILE HG2 . 52133 1 422 . 1 . 1 43 43 ILE HD11 H 1 0.524 0.020 . 1 . . . . . 43 ILE HD1 . 52133 1 423 . 1 . 1 43 43 ILE HD12 H 1 0.524 0.020 . 1 . . . . . 43 ILE HD1 . 52133 1 424 . 1 . 1 43 43 ILE HD13 H 1 0.524 0.020 . 1 . . . . . 43 ILE HD1 . 52133 1 425 . 1 . 1 43 43 ILE C C 13 175.690 0.3 . 1 . . . . . 43 ILE C . 52133 1 426 . 1 . 1 43 43 ILE CA C 13 59.042 0.3 . 1 . . . . . 43 ILE CA . 52133 1 427 . 1 . 1 43 43 ILE CB C 13 38.075 0.3 . 1 . . . . . 43 ILE CB . 52133 1 428 . 1 . 1 43 43 ILE CG1 C 13 27.203 0.3 . 1 . . . . . 43 ILE CG1 . 52133 1 429 . 1 . 1 43 43 ILE CG2 C 13 17.655 0.3 . 1 . . . . . 43 ILE CG2 . 52133 1 430 . 1 . 1 43 43 ILE CD1 C 13 11.525 0.3 . 1 . . . . . 43 ILE CD1 . 52133 1 431 . 1 . 1 43 43 ILE N N 15 123.082 0.3 . 1 . . . . . 43 ILE N . 52133 1 432 . 1 . 1 44 44 PHE H H 1 8.852 0.020 . 1 . . . . . 44 PHE H . 52133 1 433 . 1 . 1 44 44 PHE HA H 1 4.726 0.020 . 1 . . . . . 44 PHE HA . 52133 1 434 . 1 . 1 44 44 PHE HB2 H 1 2.775 0.020 . 2 . . . . . 44 PHE HB2 . 52133 1 435 . 1 . 1 44 44 PHE HB3 H 1 2.603 0.020 . 2 . . . . . 44 PHE HB3 . 52133 1 436 . 1 . 1 44 44 PHE C C 13 174.159 0.3 . 1 . . . . . 44 PHE C . 52133 1 437 . 1 . 1 44 44 PHE CA C 13 56.074 0.3 . 1 . . . . . 44 PHE CA . 52133 1 438 . 1 . 1 44 44 PHE CB C 13 40.951 0.3 . 1 . . . . . 44 PHE CB . 52133 1 439 . 1 . 1 44 44 PHE N N 15 127.282 0.3 . 1 . . . . . 44 PHE N . 52133 1 440 . 1 . 1 45 45 GLU H H 1 8.705 0.020 . 1 . . . . . 45 GLU H . 52133 1 441 . 1 . 1 45 45 GLU HA H 1 5.227 0.020 . 1 . . . . . 45 GLU HA . 52133 1 442 . 1 . 1 45 45 GLU HB2 H 1 1.850 0.020 . 2 . . . . . 45 GLU HB2 . 52133 1 443 . 1 . 1 45 45 GLU HB3 H 1 1.676 0.020 . 2 . . . . . 45 GLU HB3 . 52133 1 444 . 1 . 1 45 45 GLU HG2 H 1 2.147 0.020 . 2 . . . . . 45 GLU HG2 . 52133 1 445 . 1 . 1 45 45 GLU HG3 H 1 2.020 0.020 . 2 . . . . . 45 GLU HG3 . 52133 1 446 . 1 . 1 45 45 GLU C C 13 176.217 0.3 . 1 . . . . . 45 GLU C . 52133 1 447 . 1 . 1 45 45 GLU CA C 13 54.079 0.3 . 1 . . . . . 45 GLU CA . 52133 1 448 . 1 . 1 45 45 GLU CB C 13 33.344 0.3 . 1 . . . . . 45 GLU CB . 52133 1 449 . 1 . 1 45 45 GLU CG C 13 36.299 0.3 . 1 . . . . . 45 GLU CG . 52133 1 450 . 1 . 1 45 45 GLU N N 15 122.439 0.3 . 1 . . . . . 45 GLU N . 52133 1 451 . 1 . 1 46 46 SER H H 1 8.833 0.020 . 1 . . . . . 46 SER H . 52133 1 452 . 1 . 1 46 46 SER HA H 1 4.286 0.020 . 1 . . . . . 46 SER HA . 52133 1 453 . 1 . 1 46 46 SER HB2 H 1 3.869 0.020 . 1 . . . . . 46 SER HB2 . 52133 1 454 . 1 . 1 46 46 SER HB3 H 1 3.869 0.020 . 1 . . . . . 46 SER HB3 . 52133 1 455 . 1 . 1 46 46 SER C C 13 173.776 0.3 . 1 . . . . . 46 SER C . 52133 1 456 . 1 . 1 46 46 SER CA C 13 56.213 0.3 . 1 . . . . . 46 SER CA . 52133 1 457 . 1 . 1 46 46 SER CB C 13 63.588 0.3 . 1 . . . . . 46 SER CB . 52133 1 458 . 1 . 1 46 46 SER N N 15 119.347 0.3 . 1 . . . . . 46 SER N . 52133 1 459 . 1 . 1 47 47 PRO HA H 1 4.242 0.020 . 1 . . . . . 47 PRO HA . 52133 1 460 . 1 . 1 47 47 PRO HB2 H 1 2.239 0.020 . 1 . . . . . 47 PRO HB2 . 52133 1 461 . 1 . 1 47 47 PRO HG2 H 1 1.925 0.020 . 1 . . . . . 47 PRO HG2 . 52133 1 462 . 1 . 1 47 47 PRO C C 13 176.260 0.3 . 1 . . . . . 47 PRO C . 52133 1 463 . 1 . 1 47 47 PRO CA C 13 64.377 0.3 . 1 . . . . . 47 PRO CA . 52133 1 464 . 1 . 1 47 47 PRO CB C 13 32.045 0.3 . 1 . . . . . 47 PRO CB . 52133 1 465 . 1 . 1 47 47 PRO CG C 13 27.153 0.3 . 1 . . . . . 47 PRO CG . 52133 1 466 . 1 . 1 47 47 PRO CD C 13 50.772 0.3 . 1 . . . . . 47 PRO CD . 52133 1 467 . 1 . 1 48 48 THR H H 1 7.427 0.020 . 1 . . . . . 48 THR H . 52133 1 468 . 1 . 1 48 48 THR HA H 1 4.454 0.020 . 1 . . . . . 48 THR HA . 52133 1 469 . 1 . 1 48 48 THR HB H 1 4.187 0.020 . 1 . . . . . 48 THR HB . 52133 1 470 . 1 . 1 48 48 THR HG21 H 1 1.055 0.020 . 1 . . . . . 48 THR HG2 . 52133 1 471 . 1 . 1 48 48 THR HG22 H 1 1.055 0.020 . 1 . . . . . 48 THR HG2 . 52133 1 472 . 1 . 1 48 48 THR HG23 H 1 1.055 0.020 . 1 . . . . . 48 THR HG2 . 52133 1 473 . 1 . 1 48 48 THR C C 13 173.513 0.3 . 1 . . . . . 48 THR C . 52133 1 474 . 1 . 1 48 48 THR CA C 13 58.857 0.3 . 1 . . . . . 48 THR CA . 52133 1 475 . 1 . 1 48 48 THR CB C 13 71.057 0.3 . 1 . . . . . 48 THR CB . 52133 1 476 . 1 . 1 48 48 THR CG2 C 13 20.369 0.3 . 1 . . . . . 48 THR CG2 . 52133 1 477 . 1 . 1 48 48 THR N N 15 108.779 0.3 . 1 . . . . . 48 THR N . 52133 1 478 . 1 . 1 49 49 TYR H H 1 8.188 0.020 . 1 . . . . . 49 TYR H . 52133 1 479 . 1 . 1 49 49 TYR HA H 1 4.590 0.020 . 1 . . . . . 49 TYR HA . 52133 1 480 . 1 . 1 49 49 TYR HB2 H 1 2.791 0.020 . 2 . . . . . 49 TYR HB2 . 52133 1 481 . 1 . 1 49 49 TYR HB3 H 1 2.672 0.020 . 2 . . . . . 49 TYR HB3 . 52133 1 482 . 1 . 1 49 49 TYR C C 13 177.076 0.3 . 1 . . . . . 49 TYR C . 52133 1 483 . 1 . 1 49 49 TYR CA C 13 59.042 0.3 . 1 . . . . . 49 TYR CA . 52133 1 484 . 1 . 1 49 49 TYR CB C 13 39.467 0.3 . 1 . . . . . 49 TYR CB . 52133 1 485 . 1 . 1 49 49 TYR N N 15 120.063 0.3 . 1 . . . . . 49 TYR N . 52133 1 486 . 1 . 1 50 50 CYS H H 1 9.623 0.020 . 1 . . . . . 50 CYS H . 52133 1 487 . 1 . 1 50 50 CYS HA H 1 5.015 0.020 . 1 . . . . . 50 CYS HA . 52133 1 488 . 1 . 1 50 50 CYS HB2 H 1 3.130 0.020 . 2 . . . . . 50 CYS HB2 . 52133 1 489 . 1 . 1 50 50 CYS HB3 H 1 2.791 0.020 . 2 . . . . . 50 CYS HB3 . 52133 1 490 . 1 . 1 50 50 CYS C C 13 175.103 0.3 . 1 . . . . . 50 CYS C . 52133 1 491 . 1 . 1 50 50 CYS CA C 13 57.512 0.3 . 1 . . . . . 50 CYS CA . 52133 1 492 . 1 . 1 50 50 CYS CB C 13 32.648 0.3 . 1 . . . . . 50 CYS CB . 52133 1 493 . 1 . 1 50 50 CYS N N 15 120.008 0.3 . 1 . . . . . 50 CYS N . 52133 1 494 . 1 . 1 51 51 SER H H 1 9.114 0.020 . 1 . . . . . 51 SER H . 52133 1 495 . 1 . 1 51 51 SER HA H 1 4.627 0.020 . 1 . . . . . 51 SER HA . 52133 1 496 . 1 . 1 51 51 SER HB2 H 1 4.234 0.020 . 2 . . . . . 51 SER HB2 . 52133 1 497 . 1 . 1 51 51 SER HB3 H 1 4.115 0.020 . 2 . . . . . 51 SER HB3 . 52133 1 498 . 1 . 1 51 51 SER C C 13 173.547 0.3 . 1 . . . . . 51 SER C . 52133 1 499 . 1 . 1 51 51 SER CA C 13 60.295 0.3 . 1 . . . . . 51 SER CA . 52133 1 500 . 1 . 1 51 51 SER CB C 13 63.820 0.3 . 1 . . . . . 51 SER CB . 52133 1 501 . 1 . 1 51 51 SER N N 15 117.320 0.3 . 1 . . . . . 51 SER N . 52133 1 502 . 1 . 1 52 52 THR H H 1 7.122 0.020 . 1 . . . . . 52 THR H . 52133 1 503 . 1 . 1 52 52 THR HA H 1 4.370 0.020 . 1 . . . . . 52 THR HA . 52133 1 504 . 1 . 1 52 52 THR HB H 1 4.128 0.020 . 1 . . . . . 52 THR HB . 52133 1 505 . 1 . 1 52 52 THR HG21 H 1 1.094 0.020 . 1 . . . . . 52 THR HG2 . 52133 1 506 . 1 . 1 52 52 THR HG22 H 1 1.094 0.020 . 1 . . . . . 52 THR HG2 . 52133 1 507 . 1 . 1 52 52 THR HG23 H 1 1.094 0.020 . 1 . . . . . 52 THR HG2 . 52133 1 508 . 1 . 1 52 52 THR C C 13 173.207 0.3 . 1 . . . . . 52 THR C . 52133 1 509 . 1 . 1 52 52 THR CA C 13 58.903 0.3 . 1 . . . . . 52 THR CA . 52133 1 510 . 1 . 1 52 52 THR CB C 13 72.634 0.3 . 1 . . . . . 52 THR CB . 52133 1 511 . 1 . 1 52 52 THR CG2 C 13 21.575 0.3 . 1 . . . . . 52 THR CG2 . 52133 1 512 . 1 . 1 52 52 THR N N 15 107.459 0.3 . 1 . . . . . 52 THR N . 52133 1 513 . 1 . 1 53 53 LEU H H 1 7.797 0.020 . 1 . . . . . 53 LEU H . 52133 1 514 . 1 . 1 53 53 LEU HA H 1 3.266 0.020 . 1 . . . . . 53 LEU HA . 52133 1 515 . 1 . 1 53 53 LEU HB2 H 1 1.160 0.020 . 2 . . . . . 53 LEU HB2 . 52133 1 516 . 1 . 1 53 53 LEU HB3 H 1 1.122 0.020 . 2 . . . . . 53 LEU HB3 . 52133 1 517 . 1 . 1 53 53 LEU HG H 1 0.792 0.020 . 1 . . . . . 53 LEU HG . 52133 1 518 . 1 . 1 53 53 LEU HD11 H 1 0.623 0.020 . 2 . . . . . 53 LEU HD1 . 52133 1 519 . 1 . 1 53 53 LEU HD12 H 1 0.623 0.020 . 2 . . . . . 53 LEU HD1 . 52133 1 520 . 1 . 1 53 53 LEU HD13 H 1 0.623 0.020 . 2 . . . . . 53 LEU HD1 . 52133 1 521 . 1 . 1 53 53 LEU HD21 H 1 0.601 0.020 . 2 . . . . . 53 LEU HD2 . 52133 1 522 . 1 . 1 53 53 LEU HD22 H 1 0.601 0.020 . 2 . . . . . 53 LEU HD2 . 52133 1 523 . 1 . 1 53 53 LEU HD23 H 1 0.601 0.020 . 2 . . . . . 53 LEU HD2 . 52133 1 524 . 1 . 1 53 53 LEU C C 13 178.233 0.3 . 1 . . . . . 53 LEU C . 52133 1 525 . 1 . 1 53 53 LEU CA C 13 57.604 0.3 . 1 . . . . . 53 LEU CA . 52133 1 526 . 1 . 1 53 53 LEU CB C 13 40.812 0.3 . 1 . . . . . 53 LEU CB . 52133 1 527 . 1 . 1 53 53 LEU CG C 13 26.751 0.3 . 1 . . . . . 53 LEU CG . 52133 1 528 . 1 . 1 53 53 LEU CD1 C 13 24.697 0.3 . 1 . . . . . 53 LEU CD1 . 52133 1 529 . 1 . 1 53 53 LEU CD2 C 13 23.601 0.3 . 1 . . . . . 53 LEU CD2 . 52133 1 530 . 1 . 1 53 53 LEU N N 15 125.519 0.3 . 1 . . . . . 53 LEU N . 52133 1 531 . 1 . 1 54 54 ARG H H 1 8.155 0.020 . 1 . . . . . 54 ARG H . 52133 1 532 . 1 . 1 54 54 ARG HA H 1 3.810 0.020 . 1 . . . . . 54 ARG HA . 52133 1 533 . 1 . 1 54 54 ARG HB2 H 1 1.681 0.020 . 2 . . . . . 54 ARG HB2 . 52133 1 534 . 1 . 1 54 54 ARG HB3 H 1 1.635 0.020 . 2 . . . . . 54 ARG HB3 . 52133 1 535 . 1 . 1 54 54 ARG HG2 H 1 1.502 0.020 . 2 . . . . . 54 ARG HG2 . 52133 1 536 . 1 . 1 54 54 ARG HG3 H 1 1.459 0.020 . 2 . . . . . 54 ARG HG3 . 52133 1 537 . 1 . 1 54 54 ARG HD2 H 1 3.026 0.020 . 2 . . . . . 54 ARG HD2 . 52133 1 538 . 1 . 1 54 54 ARG HD3 H 1 2.970 0.020 . 2 . . . . . 54 ARG HD3 . 52133 1 539 . 1 . 1 54 54 ARG C C 13 178.607 0.3 . 1 . . . . . 54 ARG C . 52133 1 540 . 1 . 1 54 54 ARG CA C 13 58.532 0.3 . 1 . . . . . 54 ARG CA . 52133 1 541 . 1 . 1 54 54 ARG CB C 13 29.262 0.3 . 1 . . . . . 54 ARG CB . 52133 1 542 . 1 . 1 54 54 ARG CG C 13 26.399 0.3 . 1 . . . . . 54 ARG CG . 52133 1 543 . 1 . 1 54 54 ARG CD C 13 42.380 0.3 . 1 . . . . . 54 ARG CD . 52133 1 544 . 1 . 1 54 54 ARG N N 15 118.755 0.3 . 1 . . . . . 54 ARG N . 52133 1 545 . 1 . 1 55 55 GLN H H 1 7.591 0.020 . 1 . . . . . 55 GLN H . 52133 1 546 . 1 . 1 55 55 GLN HA H 1 4.022 0.020 . 1 . . . . . 55 GLN HA . 52133 1 547 . 1 . 1 55 55 GLN HB2 H 1 2.017 0.020 . 2 . . . . . 55 GLN HB2 . 52133 1 548 . 1 . 1 55 55 GLN HB3 H 1 1.981 0.020 . 2 . . . . . 55 GLN HB3 . 52133 1 549 . 1 . 1 55 55 GLN HG2 H 1 2.409 0.020 . 1 . . . . . 55 GLN HG2 . 52133 1 550 . 1 . 1 55 55 GLN C C 13 178.626 0.3 . 1 . . . . . 55 GLN C . 52133 1 551 . 1 . 1 55 55 GLN CA C 13 58.456 0.3 . 1 . . . . . 55 GLN CA . 52133 1 552 . 1 . 1 55 55 GLN CB C 13 28.566 0.3 . 1 . . . . . 55 GLN CB . 52133 1 553 . 1 . 1 55 55 GLN CG C 13 33.987 0.3 . 1 . . . . . 55 GLN CG . 52133 1 554 . 1 . 1 55 55 GLN N N 15 117.616 0.3 . 1 . . . . . 55 GLN N . 52133 1 555 . 1 . 1 56 56 ALA H H 1 7.650 0.020 . 1 . . . . . 56 ALA H . 52133 1 556 . 1 . 1 56 56 ALA HA H 1 4.499 0.020 . 1 . . . . . 56 ALA HA . 52133 1 557 . 1 . 1 56 56 ALA HB1 H 1 1.438 0.020 . 1 . . . . . 56 ALA HB . 52133 1 558 . 1 . 1 56 56 ALA HB2 H 1 1.438 0.020 . 1 . . . . . 56 ALA HB . 52133 1 559 . 1 . 1 56 56 ALA HB3 H 1 1.438 0.020 . 1 . . . . . 56 ALA HB . 52133 1 560 . 1 . 1 56 56 ALA C C 13 179.637 0.3 . 1 . . . . . 56 ALA C . 52133 1 561 . 1 . 1 56 56 ALA CA C 13 55.467 0.3 . 1 . . . . . 56 ALA CA . 52133 1 562 . 1 . 1 56 56 ALA CB C 13 17.758 0.3 . 1 . . . . . 56 ALA CB . 52133 1 563 . 1 . 1 56 56 ALA N N 15 124.699 0.3 . 1 . . . . . 56 ALA N . 52133 1 564 . 1 . 1 57 57 GLU H H 1 8.468 0.020 . 1 . . . . . 57 GLU H . 52133 1 565 . 1 . 1 57 57 GLU HA H 1 3.602 0.020 . 1 . . . . . 57 GLU HA . 52133 1 566 . 1 . 1 57 57 GLU HB2 H 1 1.921 0.020 . 1 . . . . . 57 GLU HB2 . 52133 1 567 . 1 . 1 57 57 GLU HG2 H 1 2.321 0.020 . 1 . . . . . 57 GLU HG2 . 52133 1 568 . 1 . 1 57 57 GLU C C 13 178.378 0.3 . 1 . . . . . 57 GLU C . 52133 1 569 . 1 . 1 57 57 GLU CA C 13 60.248 0.3 . 1 . . . . . 57 GLU CA . 52133 1 570 . 1 . 1 57 57 GLU CB C 13 29.772 0.3 . 1 . . . . . 57 GLU CB . 52133 1 571 . 1 . 1 57 57 GLU CG C 13 36.500 0.3 . 1 . . . . . 57 GLU CG . 52133 1 572 . 1 . 1 57 57 GLU N N 15 119.962 0.3 . 1 . . . . . 57 GLU N . 52133 1 573 . 1 . 1 58 58 HIS H H 1 8.138 0.020 . 1 . . . . . 58 HIS H . 52133 1 574 . 1 . 1 58 58 HIS HA H 1 4.259 0.020 . 1 . . . . . 58 HIS HA . 52133 1 575 . 1 . 1 58 58 HIS HB2 H 1 3.261 0.020 . 2 . . . . . 58 HIS HB2 . 52133 1 576 . 1 . 1 58 58 HIS HB3 H 1 3.192 0.020 . 2 . . . . . 58 HIS HB3 . 52133 1 577 . 1 . 1 58 58 HIS C C 13 177.485 0.3 . 1 . . . . . 58 HIS C . 52133 1 578 . 1 . 1 58 58 HIS CA C 13 60.573 0.3 . 1 . . . . . 58 HIS CA . 52133 1 579 . 1 . 1 58 58 HIS CB C 13 31.303 0.3 . 1 . . . . . 58 HIS CB . 52133 1 580 . 1 . 1 58 58 HIS N N 15 117.910 0.3 . 1 . . . . . 58 HIS N . 52133 1 581 . 1 . 1 59 59 SER H H 1 8.361 0.020 . 1 . . . . . 59 SER H . 52133 1 582 . 1 . 1 59 59 SER HA H 1 4.353 0.020 . 1 . . . . . 59 SER HA . 52133 1 583 . 1 . 1 59 59 SER HB2 H 1 4.093 0.020 . 2 . . . . . 59 SER HB2 . 52133 1 584 . 1 . 1 59 59 SER HB3 H 1 4.052 0.020 . 2 . . . . . 59 SER HB3 . 52133 1 585 . 1 . 1 59 59 SER C C 13 176.983 0.3 . 1 . . . . . 59 SER C . 52133 1 586 . 1 . 1 59 59 SER CA C 13 60.922 0.3 . 1 . . . . . 59 SER CA . 52133 1 587 . 1 . 1 59 59 SER CB C 13 62.878 0.3 . 1 . . . . . 59 SER CB . 52133 1 588 . 1 . 1 59 59 SER N N 15 114.997 0.3 . 1 . . . . . 59 SER N . 52133 1 589 . 1 . 1 60 60 ALA H H 1 8.092 0.020 . 1 . . . . . 60 ALA H . 52133 1 590 . 1 . 1 60 60 ALA HA H 1 3.843 0.020 . 1 . . . . . 60 ALA HA . 52133 1 591 . 1 . 1 60 60 ALA HB1 H 1 1.458 0.020 . 1 . . . . . 60 ALA HB . 52133 1 592 . 1 . 1 60 60 ALA HB2 H 1 1.458 0.020 . 1 . . . . . 60 ALA HB . 52133 1 593 . 1 . 1 60 60 ALA HB3 H 1 1.458 0.020 . 1 . . . . . 60 ALA HB . 52133 1 594 . 1 . 1 60 60 ALA C C 13 178.301 0.3 . 1 . . . . . 60 ALA C . 52133 1 595 . 1 . 1 60 60 ALA CA C 13 55.424 0.3 . 1 . . . . . 60 ALA CA . 52133 1 596 . 1 . 1 60 60 ALA CB C 13 17.294 0.3 . 1 . . . . . 60 ALA CB . 52133 1 597 . 1 . 1 60 60 ALA N N 15 125.890 0.3 . 1 . . . . . 60 ALA N . 52133 1 598 . 1 . 1 61 61 ALA H H 1 8.273 0.020 . 1 . . . . . 61 ALA H . 52133 1 599 . 1 . 1 61 61 ALA HA H 1 3.826 0.020 . 1 . . . . . 61 ALA HA . 52133 1 600 . 1 . 1 61 61 ALA HB1 H 1 1.520 0.020 . 1 . . . . . 61 ALA HB . 52133 1 601 . 1 . 1 61 61 ALA HB2 H 1 1.520 0.020 . 1 . . . . . 61 ALA HB . 52133 1 602 . 1 . 1 61 61 ALA HB3 H 1 1.520 0.020 . 1 . . . . . 61 ALA HB . 52133 1 603 . 1 . 1 61 61 ALA C C 13 178.480 0.3 . 1 . . . . . 61 ALA C . 52133 1 604 . 1 . 1 61 61 ALA CA C 13 55.050 0.3 . 1 . . . . . 61 ALA CA . 52133 1 605 . 1 . 1 61 61 ALA CB C 13 17.175 0.3 . 1 . . . . . 61 ALA CB . 52133 1 606 . 1 . 1 61 61 ALA N N 15 119.842 0.3 . 1 . . . . . 61 ALA N . 52133 1 607 . 1 . 1 62 62 GLU H H 1 8.224 0.020 . 1 . . . . . 62 GLU H . 52133 1 608 . 1 . 1 62 62 GLU HA H 1 3.063 0.020 . 1 . . . . . 62 GLU HA . 52133 1 609 . 1 . 1 62 62 GLU HB2 H 1 1.551 0.020 . 2 . . . . . 62 GLU HB2 . 52133 1 610 . 1 . 1 62 62 GLU HB3 H 1 1.248 0.020 . 2 . . . . . 62 GLU HB3 . 52133 1 611 . 1 . 1 62 62 GLU HG2 H 1 2.298 0.020 . 2 . . . . . 62 GLU HG2 . 52133 1 612 . 1 . 1 62 62 GLU HG3 H 1 1.892 0.020 . 2 . . . . . 62 GLU HG3 . 52133 1 613 . 1 . 1 62 62 GLU C C 13 178.709 0.3 . 1 . . . . . 62 GLU C . 52133 1 614 . 1 . 1 62 62 GLU CA C 13 59.672 0.3 . 1 . . . . . 62 GLU CA . 52133 1 615 . 1 . 1 62 62 GLU CB C 13 28.896 0.3 . 1 . . . . . 62 GLU CB . 52133 1 616 . 1 . 1 62 62 GLU CG C 13 34.917 0.3 . 1 . . . . . 62 GLU CG . 52133 1 617 . 1 . 1 62 62 GLU N N 15 120.144 0.3 . 1 . . . . . 62 GLU N . 52133 1 618 . 1 . 1 63 63 VAL H H 1 7.299 0.020 . 1 . . . . . 63 VAL H . 52133 1 619 . 1 . 1 63 63 VAL HA H 1 3.397 0.020 . 1 . . . . . 63 VAL HA . 52133 1 620 . 1 . 1 63 63 VAL HB H 1 1.063 0.020 . 1 . . . . . 63 VAL HB . 52133 1 621 . 1 . 1 63 63 VAL HG11 H 1 1.159 0.020 . 2 . . . . . 63 VAL HG1 . 52133 1 622 . 1 . 1 63 63 VAL HG12 H 1 1.159 0.020 . 2 . . . . . 63 VAL HG1 . 52133 1 623 . 1 . 1 63 63 VAL HG13 H 1 1.159 0.020 . 2 . . . . . 63 VAL HG1 . 52133 1 624 . 1 . 1 63 63 VAL HG21 H 1 0.786 0.020 . 2 . . . . . 63 VAL HG2 . 52133 1 625 . 1 . 1 63 63 VAL HG22 H 1 0.786 0.020 . 2 . . . . . 63 VAL HG2 . 52133 1 626 . 1 . 1 63 63 VAL HG23 H 1 0.786 0.020 . 2 . . . . . 63 VAL HG2 . 52133 1 627 . 1 . 1 63 63 VAL C C 13 178.624 0.3 . 1 . . . . . 63 VAL C . 52133 1 628 . 1 . 1 63 63 VAL CA C 13 65.908 0.3 . 1 . . . . . 63 VAL CA . 52133 1 629 . 1 . 1 63 63 VAL CB C 13 31.164 0.3 . 1 . . . . . 63 VAL CB . 52133 1 630 . 1 . 1 63 63 VAL CG1 C 13 22.498 0.3 . 1 . . . . . 63 VAL CG1 . 52133 1 631 . 1 . 1 63 63 VAL CG2 C 13 21.781 0.3 . 1 . . . . . 63 VAL CG2 . 52133 1 632 . 1 . 1 63 63 VAL N N 15 120.782 0.3 . 1 . . . . . 63 VAL N . 52133 1 633 . 1 . 1 64 64 ALA H H 1 7.473 0.020 . 1 . . . . . 64 ALA H . 52133 1 634 . 1 . 1 64 64 ALA HA H 1 2.128 0.020 . 1 . . . . . 64 ALA HA . 52133 1 635 . 1 . 1 64 64 ALA HB1 H 1 0.707 0.020 . 1 . . . . . 64 ALA HB . 52133 1 636 . 1 . 1 64 64 ALA HB2 H 1 0.707 0.020 . 1 . . . . . 64 ALA HB . 52133 1 637 . 1 . 1 64 64 ALA HB3 H 1 0.707 0.020 . 1 . . . . . 64 ALA HB . 52133 1 638 . 1 . 1 64 64 ALA C C 13 178.148 0.3 . 1 . . . . . 64 ALA C . 52133 1 639 . 1 . 1 64 64 ALA CA C 13 54.218 0.3 . 1 . . . . . 64 ALA CA . 52133 1 640 . 1 . 1 64 64 ALA CB C 13 18.964 0.3 . 1 . . . . . 64 ALA CB . 52133 1 641 . 1 . 1 64 64 ALA N N 15 124.039 0.3 . 1 . . . . . 64 ALA N . 52133 1 642 . 1 . 1 65 65 LEU H H 1 8.306 0.020 . 1 . . . . . 65 LEU H . 52133 1 643 . 1 . 1 65 65 LEU HA H 1 3.394 0.020 . 1 . . . . . 65 LEU HA . 52133 1 644 . 1 . 1 65 65 LEU HB2 H 1 1.573 0.020 . 2 . . . . . 65 LEU HB2 . 52133 1 645 . 1 . 1 65 65 LEU HB3 H 1 1.515 0.020 . 2 . . . . . 65 LEU HB3 . 52133 1 646 . 1 . 1 65 65 LEU HG H 1 1.251 0.020 . 1 . . . . . 65 LEU HG . 52133 1 647 . 1 . 1 65 65 LEU HD11 H 1 0.885 0.020 . 2 . . . . . 65 LEU HD1 . 52133 1 648 . 1 . 1 65 65 LEU HD12 H 1 0.885 0.020 . 2 . . . . . 65 LEU HD1 . 52133 1 649 . 1 . 1 65 65 LEU HD13 H 1 0.885 0.020 . 2 . . . . . 65 LEU HD1 . 52133 1 650 . 1 . 1 65 65 LEU HD21 H 1 0.603 0.020 . 2 . . . . . 65 LEU HD2 . 52133 1 651 . 1 . 1 65 65 LEU HD22 H 1 0.603 0.020 . 2 . . . . . 65 LEU HD2 . 52133 1 652 . 1 . 1 65 65 LEU HD23 H 1 0.603 0.020 . 2 . . . . . 65 LEU HD2 . 52133 1 653 . 1 . 1 65 65 LEU C C 13 179.892 0.3 . 1 . . . . . 65 LEU C . 52133 1 654 . 1 . 1 65 65 LEU CA C 13 57.697 0.3 . 1 . . . . . 65 LEU CA . 52133 1 655 . 1 . 1 65 65 LEU CB C 13 41.740 0.3 . 1 . . . . . 65 LEU CB . 52133 1 656 . 1 . 1 65 65 LEU CG C 13 26.547 0.3 . 1 . . . . . 65 LEU CG . 52133 1 657 . 1 . 1 65 65 LEU CD1 C 13 23.305 0.3 . 1 . . . . . 65 LEU CD1 . 52133 1 658 . 1 . 1 65 65 LEU CD2 C 13 19.867 0.3 . 1 . . . . . 65 LEU CD2 . 52133 1 659 . 1 . 1 65 65 LEU N N 15 117.525 0.3 . 1 . . . . . 65 LEU N . 52133 1 660 . 1 . 1 66 66 SER H H 1 7.768 0.020 . 1 . . . . . 66 SER H . 52133 1 661 . 1 . 1 66 66 SER HA H 1 3.995 0.020 . 1 . . . . . 66 SER HA . 52133 1 662 . 1 . 1 66 66 SER HB2 H 1 3.796 0.020 . 2 . . . . . 66 SER HB2 . 52133 1 663 . 1 . 1 66 66 SER HB3 H 1 3.741 0.020 . 2 . . . . . 66 SER HB3 . 52133 1 664 . 1 . 1 66 66 SER C C 13 176.226 0.3 . 1 . . . . . 66 SER C . 52133 1 665 . 1 . 1 66 66 SER CA C 13 61.083 0.3 . 1 . . . . . 66 SER CA . 52133 1 666 . 1 . 1 66 66 SER CB C 13 62.475 0.3 . 1 . . . . . 66 SER CB . 52133 1 667 . 1 . 1 66 66 SER N N 15 115.772 0.3 . 1 . . . . . 66 SER N . 52133 1 668 . 1 . 1 67 67 ALA H H 1 7.624 0.020 . 1 . . . . . 67 ALA H . 52133 1 669 . 1 . 1 67 67 ALA HA H 1 4.038 0.020 . 1 . . . . . 67 ALA HA . 52133 1 670 . 1 . 1 67 67 ALA HB1 H 1 1.332 0.020 . 1 . . . . . 67 ALA HB . 52133 1 671 . 1 . 1 67 67 ALA HB2 H 1 1.332 0.020 . 1 . . . . . 67 ALA HB . 52133 1 672 . 1 . 1 67 67 ALA HB3 H 1 1.332 0.020 . 1 . . . . . 67 ALA HB . 52133 1 673 . 1 . 1 67 67 ALA C C 13 180.217 0.3 . 1 . . . . . 67 ALA C . 52133 1 674 . 1 . 1 67 67 ALA CA C 13 54.311 0.3 . 1 . . . . . 67 ALA CA . 52133 1 675 . 1 . 1 67 67 ALA CB C 13 19.075 0.3 . 1 . . . . . 67 ALA CB . 52133 1 676 . 1 . 1 67 67 ALA N N 15 125.474 0.3 . 1 . . . . . 67 ALA N . 52133 1 677 . 1 . 1 68 68 LEU H H 1 8.018 0.020 . 1 . . . . . 68 LEU H . 52133 1 678 . 1 . 1 68 68 LEU HA H 1 4.047 0.020 . 1 . . . . . 68 LEU HA . 52133 1 679 . 1 . 1 68 68 LEU HB2 H 1 1.364 0.020 . 2 . . . . . 68 LEU HB2 . 52133 1 680 . 1 . 1 68 68 LEU HB3 H 1 1.280 0.020 . 2 . . . . . 68 LEU HB3 . 52133 1 681 . 1 . 1 68 68 LEU HG H 1 0.768 0.020 . 1 . . . . . 68 LEU HG . 52133 1 682 . 1 . 1 68 68 LEU HD11 H 1 -0.002 0.020 . 1 . . . . . 68 LEU HD1 . 52133 1 683 . 1 . 1 68 68 LEU HD12 H 1 -0.002 0.020 . 1 . . . . . 68 LEU HD1 . 52133 1 684 . 1 . 1 68 68 LEU HD13 H 1 -0.002 0.020 . 1 . . . . . 68 LEU HD1 . 52133 1 685 . 1 . 1 68 68 LEU C C 13 178.718 0.3 . 1 . . . . . 68 LEU C . 52133 1 686 . 1 . 1 68 68 LEU CA C 13 56.213 0.3 . 1 . . . . . 68 LEU CA . 52133 1 687 . 1 . 1 68 68 LEU CB C 13 41.926 0.3 . 1 . . . . . 68 LEU CB . 52133 1 688 . 1 . 1 68 68 LEU CG C 13 26.450 0.3 . 1 . . . . . 68 LEU CG . 52133 1 689 . 1 . 1 68 68 LEU CD1 C 13 25.294 0.3 . 1 . . . . . 68 LEU CD1 . 52133 1 690 . 1 . 1 68 68 LEU CD2 C 13 22.329 0.3 . 1 . . . . . 68 LEU CD2 . 52133 1 691 . 1 . 1 68 68 LEU N N 15 118.937 0.3 . 1 . . . . . 68 LEU N . 52133 1 692 . 1 . 1 69 69 SER H H 1 7.679 0.020 . 1 . . . . . 69 SER H . 52133 1 693 . 1 . 1 69 69 SER HA H 1 4.276 0.020 . 1 . . . . . 69 SER HA . 52133 1 694 . 1 . 1 69 69 SER HB2 H 1 3.956 0.020 . 2 . . . . . 69 SER HB2 . 52133 1 695 . 1 . 1 69 69 SER HB3 H 1 3.860 0.020 . 2 . . . . . 69 SER HB3 . 52133 1 696 . 1 . 1 69 69 SER C C 13 174.823 0.3 . 1 . . . . . 69 SER C . 52133 1 697 . 1 . 1 69 69 SER CA C 13 59.506 0.3 . 1 . . . . . 69 SER CA . 52133 1 698 . 1 . 1 69 69 SER CB C 13 63.264 0.3 . 1 . . . . . 69 SER CB . 52133 1 699 . 1 . 1 69 69 SER N N 15 114.747 0.3 . 1 . . . . . 69 SER N . 52133 1 700 . 1 . 1 70 70 SER H H 1 7.760 0.020 . 1 . . . . . 70 SER H . 52133 1 701 . 1 . 1 70 70 SER HA H 1 4.344 0.020 . 1 . . . . . 70 SER HA . 52133 1 702 . 1 . 1 70 70 SER HB2 H 1 3.871 0.020 . 2 . . . . . 70 SER HB2 . 52133 1 703 . 1 . 1 70 70 SER HB3 H 1 3.822 0.020 . 2 . . . . . 70 SER HB3 . 52133 1 704 . 1 . 1 70 70 SER C C 13 174.363 0.3 . 1 . . . . . 70 SER C . 52133 1 705 . 1 . 1 70 70 SER CA C 13 58.810 0.3 . 1 . . . . . 70 SER CA . 52133 1 706 . 1 . 1 70 70 SER CB C 13 63.443 0.3 . 1 . . . . . 70 SER CB . 52133 1 707 . 1 . 1 70 70 SER N N 15 117.298 0.3 . 1 . . . . . 70 SER N . 52133 1 708 . 1 . 1 71 71 LYS H H 1 7.871 0.020 . 1 . . . . . 71 LYS H . 52133 1 709 . 1 . 1 71 71 LYS HA H 1 4.281 0.020 . 1 . . . . . 71 LYS HA . 52133 1 710 . 1 . 1 71 71 LYS HB2 H 1 1.810 0.020 . 2 . . . . . 71 LYS HB2 . 52133 1 711 . 1 . 1 71 71 LYS HB3 H 1 1.757 0.020 . 2 . . . . . 71 LYS HB3 . 52133 1 712 . 1 . 1 71 71 LYS HG2 H 1 1.410 0.020 . 2 . . . . . 71 LYS HG2 . 52133 1 713 . 1 . 1 71 71 LYS HG3 H 1 1.375 0.020 . 2 . . . . . 71 LYS HG3 . 52133 1 714 . 1 . 1 71 71 LYS HD2 H 1 1.698 0.020 . 2 . . . . . 71 LYS HD2 . 52133 1 715 . 1 . 1 71 71 LYS HD3 H 1 1.651 0.020 . 2 . . . . . 71 LYS HD3 . 52133 1 716 . 1 . 1 71 71 LYS HE2 H 1 2.924 0.020 . 2 . . . . . 71 LYS HE2 . 52133 1 717 . 1 . 1 71 71 LYS HE3 H 1 2.880 0.020 . 2 . . . . . 71 LYS HE3 . 52133 1 718 . 1 . 1 71 71 LYS C C 13 176.592 0.3 . 1 . . . . . 71 LYS C . 52133 1 719 . 1 . 1 71 71 LYS CA C 13 56.207 0.3 . 1 . . . . . 71 LYS CA . 52133 1 720 . 1 . 1 71 71 LYS CB C 13 32.765 0.3 . 1 . . . . . 71 LYS CB . 52133 1 721 . 1 . 1 71 71 LYS CG C 13 24.426 0.3 . 1 . . . . . 71 LYS CG . 52133 1 722 . 1 . 1 71 71 LYS CD C 13 28.674 0.3 . 1 . . . . . 71 LYS CD . 52133 1 723 . 1 . 1 71 71 LYS CE C 13 41.777 0.3 . 1 . . . . . 71 LYS CE . 52133 1 724 . 1 . 1 71 71 LYS N N 15 122.881 0.3 . 1 . . . . . 71 LYS N . 52133 1 725 . 1 . 1 72 72 GLY H H 1 8.037 0.020 . 1 . . . . . 72 GLY H . 52133 1 726 . 1 . 1 72 72 GLY HA2 H 1 4.006 0.020 . 1 . . . . . 72 GLY HA2 . 52133 1 727 . 1 . 1 72 72 GLY HA3 H 1 4.006 0.020 . 1 . . . . . 72 GLY HA3 . 52133 1 728 . 1 . 1 72 72 GLY C C 13 171.590 0.3 . 1 . . . . . 72 GLY C . 52133 1 729 . 1 . 1 72 72 GLY CA C 13 44.378 0.3 . 1 . . . . . 72 GLY CA . 52133 1 730 . 1 . 1 72 72 GLY N N 15 110.275 0.3 . 1 . . . . . 72 GLY N . 52133 1 731 . 1 . 1 73 73 PRO HA H 1 4.360 0.020 . 1 . . . . . 73 PRO HA . 52133 1 732 . 1 . 1 73 73 PRO HB2 H 1 2.196 0.020 . 2 . . . . . 73 PRO HB2 . 52133 1 733 . 1 . 1 73 73 PRO HB3 H 1 2.151 0.020 . 2 . . . . . 73 PRO HB3 . 52133 1 734 . 1 . 1 73 73 PRO HG2 H 1 1.902 0.020 . 2 . . . . . 73 PRO HG2 . 52133 1 735 . 1 . 1 73 73 PRO HG3 H 1 1.845 0.020 . 2 . . . . . 73 PRO HG3 . 52133 1 736 . 1 . 1 73 73 PRO C C 13 177.136 0.3 . 1 . . . . . 73 PRO C . 52133 1 737 . 1 . 1 73 73 PRO CA C 13 63.032 0.3 . 1 . . . . . 73 PRO CA . 52133 1 738 . 1 . 1 73 73 PRO CB C 13 31.813 0.3 . 1 . . . . . 73 PRO CB . 52133 1 739 . 1 . 1 73 73 PRO CG C 13 26.896 0.3 . 1 . . . . . 73 PRO CG . 52133 1 740 . 1 . 1 73 73 PRO CD C 13 49.572 0.3 . 1 . . . . . 73 PRO CD . 52133 1 741 . 1 . 1 74 74 SER H H 1 8.396 0.020 . 1 . . . . . 74 SER H . 52133 1 742 . 1 . 1 74 74 SER HA H 1 4.319 0.020 . 1 . . . . . 74 SER HA . 52133 1 743 . 1 . 1 74 74 SER HB2 H 1 3.787 0.020 . 2 . . . . . 74 SER HB2 . 52133 1 744 . 1 . 1 74 74 SER HB3 H 1 3.726 0.020 . 2 . . . . . 74 SER HB3 . 52133 1 745 . 1 . 1 74 74 SER C C 13 174.550 0.3 . 1 . . . . . 74 SER C . 52133 1 746 . 1 . 1 74 74 SER CA C 13 58.287 0.3 . 1 . . . . . 74 SER CA . 52133 1 747 . 1 . 1 74 74 SER CB C 13 63.566 0.3 . 1 . . . . . 74 SER CB . 52133 1 748 . 1 . 1 74 74 SER N N 15 117.337 0.3 . 1 . . . . . 74 SER N . 52133 1 749 . 1 . 1 75 75 LYS H H 1 8.287 0.020 . 1 . . . . . 75 LYS H . 52133 1 750 . 1 . 1 75 75 LYS HA H 1 4.225 0.020 . 1 . . . . . 75 LYS HA . 52133 1 751 . 1 . 1 75 75 LYS HB2 H 1 1.718 0.020 . 2 . . . . . 75 LYS HB2 . 52133 1 752 . 1 . 1 75 75 LYS HB3 H 1 1.690 0.020 . 2 . . . . . 75 LYS HB3 . 52133 1 753 . 1 . 1 75 75 LYS HG2 H 1 1.306 0.020 . 2 . . . . . 75 LYS HG2 . 52133 1 754 . 1 . 1 75 75 LYS HG3 H 1 1.261 0.020 . 2 . . . . . 75 LYS HG3 . 52133 1 755 . 1 . 1 75 75 LYS HD2 H 1 1.588 0.020 . 2 . . . . . 75 LYS HD2 . 52133 1 756 . 1 . 1 75 75 LYS HD3 H 1 1.553 0.020 . 2 . . . . . 75 LYS HD3 . 52133 1 757 . 1 . 1 75 75 LYS HE2 H 1 2.884 0.020 . 1 . . . . . 75 LYS HE2 . 52133 1 758 . 1 . 1 75 75 LYS C C 13 176.132 0.3 . 1 . . . . . 75 LYS C . 52133 1 759 . 1 . 1 75 75 LYS CA C 13 55.981 0.3 . 1 . . . . . 75 LYS CA . 52133 1 760 . 1 . 1 75 75 LYS CB C 13 32.509 0.3 . 1 . . . . . 75 LYS CB . 52133 1 761 . 1 . 1 75 75 LYS CG C 13 24.383 0.3 . 1 . . . . . 75 LYS CG . 52133 1 762 . 1 . 1 75 75 LYS CD C 13 28.566 0.3 . 1 . . . . . 75 LYS CD . 52133 1 763 . 1 . 1 75 75 LYS CE C 13 41.781 0.3 . 1 . . . . . 75 LYS CE . 52133 1 764 . 1 . 1 75 75 LYS N N 15 124.181 0.3 . 1 . . . . . 75 LYS N . 52133 1 765 . 1 . 1 76 76 LEU H H 1 8.167 0.020 . 1 . . . . . 76 LEU H . 52133 1 766 . 1 . 1 76 76 LEU HA H 1 4.192 0.020 . 1 . . . . . 76 LEU HA . 52133 1 767 . 1 . 1 76 76 LEU HB2 H 1 1.449 0.020 . 2 . . . . . 76 LEU HB2 . 52133 1 768 . 1 . 1 76 76 LEU HB3 H 1 1.405 0.020 . 2 . . . . . 76 LEU HB3 . 52133 1 769 . 1 . 1 76 76 LEU HD11 H 1 0.772 0.020 . 2 . . . . . 76 LEU HD1 . 52133 1 770 . 1 . 1 76 76 LEU HD12 H 1 0.772 0.020 . 2 . . . . . 76 LEU HD1 . 52133 1 771 . 1 . 1 76 76 LEU HD13 H 1 0.772 0.020 . 2 . . . . . 76 LEU HD1 . 52133 1 772 . 1 . 1 76 76 LEU HD21 H 1 0.709 0.020 . 2 . . . . . 76 LEU HD2 . 52133 1 773 . 1 . 1 76 76 LEU HD22 H 1 0.709 0.020 . 2 . . . . . 76 LEU HD2 . 52133 1 774 . 1 . 1 76 76 LEU HD23 H 1 0.709 0.020 . 2 . . . . . 76 LEU HD2 . 52133 1 775 . 1 . 1 76 76 LEU C C 13 176.881 0.3 . 1 . . . . . 76 LEU C . 52133 1 776 . 1 . 1 76 76 LEU CA C 13 54.914 0.3 . 1 . . . . . 76 LEU CA . 52133 1 777 . 1 . 1 76 76 LEU CB C 13 41.972 0.3 . 1 . . . . . 76 LEU CB . 52133 1 778 . 1 . 1 76 76 LEU CG C 13 26.651 0.3 . 1 . . . . . 76 LEU CG . 52133 1 779 . 1 . 1 76 76 LEU CD1 C 13 24.540 0.3 . 1 . . . . . 76 LEU CD1 . 52133 1 780 . 1 . 1 76 76 LEU CD2 C 13 23.133 0.3 . 1 . . . . . 76 LEU CD2 . 52133 1 781 . 1 . 1 76 76 LEU N N 15 124.004 0.3 . 1 . . . . . 76 LEU N . 52133 1 782 . 1 . 1 77 77 GLU H H 1 8.206 0.020 . 1 . . . . . 77 GLU H . 52133 1 783 . 1 . 1 77 77 GLU HA H 1 4.092 0.020 . 1 . . . . . 77 GLU HA . 52133 1 784 . 1 . 1 77 77 GLU HB2 H 1 2.082 0.020 . 2 . . . . . 77 GLU HB2 . 52133 1 785 . 1 . 1 77 77 GLU HB3 H 1 2.020 0.020 . 2 . . . . . 77 GLU HB3 . 52133 1 786 . 1 . 1 77 77 GLU C C 13 175.809 0.3 . 1 . . . . . 77 GLU C . 52133 1 787 . 1 . 1 77 77 GLU CA C 13 56.120 0.3 . 1 . . . . . 77 GLU CA . 52133 1 788 . 1 . 1 77 77 GLU CB C 13 30.051 0.3 . 1 . . . . . 77 GLU CB . 52133 1 789 . 1 . 1 77 77 GLU CG C 13 35.847 0.3 . 1 . . . . . 77 GLU CG . 52133 1 790 . 1 . 1 77 77 GLU N N 15 122.422 0.3 . 1 . . . . . 77 GLU N . 52133 1 791 . 1 . 1 78 78 HIS H H 1 8.206 0.020 . 1 . . . . . 78 HIS H . 52133 1 792 . 1 . 1 78 78 HIS C C 13 174.703 0.3 . 1 . . . . . 78 HIS C . 52133 1 793 . 1 . 1 78 78 HIS CA C 13 55.847 0.3 . 1 . . . . . 78 HIS CA . 52133 1 794 . 1 . 1 78 78 HIS CB C 13 30.196 0.3 . 1 . . . . . 78 HIS CB . 52133 1 795 . 1 . 1 78 78 HIS N N 15 121.010 0.3 . 1 . . . . . 78 HIS N . 52133 1 stop_ save_