data_19162 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19162 _Entry.Title ; Structure of the p7 channel of Hepatitis C virus, genotype 5a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-12 _Entry.Accession_date 2013-04-12 _Entry.Last_release_date 2013-04-29 _Entry.Original_release_date 2013-04-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Bo OuYang . . . . 19162 2 James Chou . J. . . 19162 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Membrane Protein Structures by Solution NMR' . 19162 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HCV . 19162 'cation channel' . 19162 hexamer . 19162 'membrane protein' . 19162 p7 . 19162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 19162 '15N chemical shifts' 58 19162 '1H chemical shifts' 217 19162 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-07-09 2013-04-26 update BMRB 'update entry citation' 19162 1 . . 2013-06-17 2013-04-26 original author 'original release' 19162 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M6X 'BMRB Entry Tracking System' 19162 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19162 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23739335 _Citation.Full_citation . _Citation.Title ; Unusual architecture of the p7 channel from hepatitis C virus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 498 _Citation.Journal_issue 7455 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 521 _Citation.Page_last 525 _Citation.Year 2013 _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 Bo OuYang . . . . 19162 1 2 Shiqi Xie . . . . 19162 1 3 Marcelo Berardi . J. . . 19162 1 4 Xinhao Zhao . . . . 19162 1 5 Jyoti Dev . . . . 19162 1 6 Wenjing Yu . . . . 19162 1 7 Bing Sun . . . . 19162 1 8 James Chou . J. . . 19162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19162 _Assembly.ID 1 _Assembly.Name 'p7 channel of Hepatitis C virus, genotype 5a' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HCV_p7_hexamer_1 1 $HCV_p7_hexamer A . yes native no no . . . 19162 1 2 HCV_p7_hexamer_2 1 $HCV_p7_hexamer B . yes native no no . . . 19162 1 3 HCV_p7_hexamer_3 1 $HCV_p7_hexamer C . yes native no no . . . 19162 1 4 HCV_p7_hexamer_4 1 $HCV_p7_hexamer D . yes native no no . . . 19162 1 5 HCV_p7_hexamer_5 1 $HCV_p7_hexamer E . yes native no no . . . 19162 1 6 HCV_p7_hexamer_6 1 $HCV_p7_hexamer F . yes native no no . . . 19162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCV_p7_hexamer _Entity.Sf_category entity _Entity.Sf_framecode HCV_p7_hexamer _Entity.Entry_ID 19162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCV_p7_hexamer _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D,E,F _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAKNVIVLNAASAAGNHGFF WGLLVVTLAWHVKGRLVPGA TYLSLGVWPLLLVRLLRPHR ALA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not presnet' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'T1G, A12S, C2A, C27T, C44S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6762.151 _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 O39928 . p7 . . . . . . . . . . . . . . 19162 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 1 GLY . 19162 1 2 2 ALA . 19162 1 3 3 LYS . 19162 1 4 4 ASN . 19162 1 5 5 VAL . 19162 1 6 6 ILE . 19162 1 7 7 VAL . 19162 1 8 8 LEU . 19162 1 9 9 ASN . 19162 1 10 10 ALA . 19162 1 11 11 ALA . 19162 1 12 12 SER . 19162 1 13 13 ALA . 19162 1 14 14 ALA . 19162 1 15 15 GLY . 19162 1 16 16 ASN . 19162 1 17 17 HIS . 19162 1 18 18 GLY . 19162 1 19 19 PHE . 19162 1 20 20 PHE . 19162 1 21 21 TRP . 19162 1 22 22 GLY . 19162 1 23 23 LEU . 19162 1 24 24 LEU . 19162 1 25 25 VAL . 19162 1 26 26 VAL . 19162 1 27 27 THR . 19162 1 28 28 LEU . 19162 1 29 29 ALA . 19162 1 30 30 TRP . 19162 1 31 31 HIS . 19162 1 32 32 VAL . 19162 1 33 33 LYS . 19162 1 34 34 GLY . 19162 1 35 35 ARG . 19162 1 36 36 LEU . 19162 1 37 37 VAL . 19162 1 38 38 PRO . 19162 1 39 39 GLY . 19162 1 40 40 ALA . 19162 1 41 41 THR . 19162 1 42 42 TYR . 19162 1 43 43 LEU . 19162 1 44 44 SER . 19162 1 45 45 LEU . 19162 1 46 46 GLY . 19162 1 47 47 VAL . 19162 1 48 48 TRP . 19162 1 49 49 PRO . 19162 1 50 50 LEU . 19162 1 51 51 LEU . 19162 1 52 52 LEU . 19162 1 53 53 VAL . 19162 1 54 54 ARG . 19162 1 55 55 LEU . 19162 1 56 56 LEU . 19162 1 57 57 ARG . 19162 1 58 58 PRO . 19162 1 59 59 HIS . 19162 1 60 60 ARG . 19162 1 61 61 ALA . 19162 1 62 62 LEU . 19162 1 63 63 ALA . 19162 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19162 1 . ALA 2 2 19162 1 . LYS 3 3 19162 1 . ASN 4 4 19162 1 . VAL 5 5 19162 1 . ILE 6 6 19162 1 . VAL 7 7 19162 1 . LEU 8 8 19162 1 . ASN 9 9 19162 1 . ALA 10 10 19162 1 . ALA 11 11 19162 1 . SER 12 12 19162 1 . ALA 13 13 19162 1 . ALA 14 14 19162 1 . GLY 15 15 19162 1 . ASN 16 16 19162 1 . HIS 17 17 19162 1 . GLY 18 18 19162 1 . PHE 19 19 19162 1 . PHE 20 20 19162 1 . TRP 21 21 19162 1 . GLY 22 22 19162 1 . LEU 23 23 19162 1 . LEU 24 24 19162 1 . VAL 25 25 19162 1 . VAL 26 26 19162 1 . THR 27 27 19162 1 . LEU 28 28 19162 1 . ALA 29 29 19162 1 . TRP 30 30 19162 1 . HIS 31 31 19162 1 . VAL 32 32 19162 1 . LYS 33 33 19162 1 . GLY 34 34 19162 1 . ARG 35 35 19162 1 . LEU 36 36 19162 1 . VAL 37 37 19162 1 . PRO 38 38 19162 1 . GLY 39 39 19162 1 . ALA 40 40 19162 1 . THR 41 41 19162 1 . TYR 42 42 19162 1 . LEU 43 43 19162 1 . SER 44 44 19162 1 . LEU 45 45 19162 1 . GLY 46 46 19162 1 . VAL 47 47 19162 1 . TRP 48 48 19162 1 . PRO 49 49 19162 1 . LEU 50 50 19162 1 . LEU 51 51 19162 1 . LEU 52 52 19162 1 . VAL 53 53 19162 1 . ARG 54 54 19162 1 . LEU 55 55 19162 1 . LEU 56 56 19162 1 . ARG 57 57 19162 1 . PRO 58 58 19162 1 . HIS 59 59 19162 1 . ARG 60 60 19162 1 . ALA 61 61 19162 1 . LEU 62 62 19162 1 . ALA 63 63 19162 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19162 _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 $HCV_p7_hexamer . 11103 virus . 'Hepatitis C virus' 'Hepatitis C virus' . . Viruses . Hepacivirus . EUH1480 'genotype 5a' . . . . . . . . . . . 19162 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19162 _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 $HCV_p7_hexamer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pMM-LR6 . . . 19162 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19162 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV p7 (monomer)' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $HCV_p7_hexamer . . 0.8 . . mM . . . . 19162 1 2 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 19162 1 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19162 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19162 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19162 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19162 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV p7 (monomer)' '[U-100% 13C; U-100% 15N]' . . 1 $HCV_p7_hexamer . . 0.8 . . mM . . . . 19162 2 2 DPC [U-2H] . . . . . . 200 . . mM . . . . 19162 2 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19162 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19162 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19162 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19162 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV p7 (monomer)' '[U-15% 13C]' . . 1 $HCV_p7_hexamer . . 0.8 . . mM . . . . 19162 3 2 DPC [U-2H] . . . . . . 200 . . mM . . . . 19162 3 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19162 3 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19162 3 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19162 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19162 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV p7 (monomer)' '[U-15N; U-2H]' . . 1 $HCV_p7_hexamer . . 0.4 . . mM . . . . 19162 4 2 'HCV p7 (monomer)' [U-13C] . . 1 $HCV_p7_hexamer . . 0.4 . . mM . . . . 19162 4 3 DPC [U-2H] . . . . . . 200 . . mM . . . . 19162 4 4 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19162 4 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19162 4 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19162 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19162 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV p7 (monomer)' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $HCV_p7_hexamer . . 0.2 . . mM . . . . 19162 5 2 DPC 'natural abundance' . . . . . . 100 . . mM . . . . 19162 5 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19162 5 4 'polyacrylamide gel' 'natural abundance' . . . . . . 4.5 . . % . . . . 19162 5 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19162 5 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19162 5 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 19162 _Sample_condition_list.ID 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' 50 50 mM 19162 1 pH 6.5 . pH 19162 1 pressure 1 . atm 19162 1 temperature 273 . K 19162 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19162 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19162 1 processing 19162 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19162 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19162 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignment' 19162 2 'data analysis' 19162 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19162 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19162 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19162 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19162 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19162 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19162 4 'structure solution' 19162 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19162 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19162 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19162 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19162 1 2 spectrometer_2 Bruker Avance . 900 . . . 19162 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19162 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19162 1 8 '3D 1H-13C NOESY (MET)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19162 1 9 '3D 1H-13C NOESY (Diag Suppress)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19162 1 10 '3D 1H-15N NOESY (mixed NOE)' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19162 1 11 '2D 1H-15N HSQC (28m CT)' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 12 'J-scaled 15N TROSY' no . . . . . . . . . . 5 $sample_5 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19162 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19162 _Chem_shift_reference.ID 1 _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 TMS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . 19162 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 19162 1 N 15 Nitromethane nitrogen . . . . ppm 380.2 external direct 1 . . . . . 19162 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19162 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 19162 1 2 '3D HN(CO)CA' . . . 19162 1 3 '3D HN(CA)CO' . . . 19162 1 4 '3D HNCO' . . . 19162 1 5 '3D HNCACB' . . . 19162 1 6 '3D HN(COCA)CB' . . . 19162 1 7 '3D 1H-15N NOESY' . . . 19162 1 8 '3D 1H-13C NOESY (MET)' . . . 19162 1 11 '2D 1H-15N HSQC (28m CT)' . . . 19162 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 ALA C C 13 178.255 0.000 . 1 . . . . A 2 ALA C . 19162 1 2 . 1 1 2 2 ALA CA C 13 53.263 0.000 . 1 . . . . A 2 ALA CA . 19162 1 3 . 1 1 2 2 ALA CB C 13 18.411 0.000 . 1 . . . . A 2 ALA CB . 19162 1 4 . 1 1 3 3 LYS H H 1 8.607 0.000 . 1 . . . . A 3 LYS H . 19162 1 5 . 1 1 3 3 LYS C C 13 176.752 0.000 . 1 . . . . A 3 LYS C . 19162 1 6 . 1 1 3 3 LYS CA C 13 57.816 0.000 . 1 . . . . A 3 LYS CA . 19162 1 7 . 1 1 3 3 LYS CB C 13 31.751 0.000 . 1 . . . . A 3 LYS CB . 19162 1 8 . 1 1 3 3 LYS N N 15 119.081 0.000 . 1 . . . . A 3 LYS N . 19162 1 9 . 1 1 4 4 ASN H H 1 8.185 0.000 . 1 . . . . A 4 ASN H . 19162 1 10 . 1 1 4 4 ASN C C 13 176.029 0.000 . 1 . . . . A 4 ASN C . 19162 1 11 . 1 1 4 4 ASN CA C 13 54.712 0.000 . 1 . . . . A 4 ASN CA . 19162 1 12 . 1 1 4 4 ASN CB C 13 38.244 0.000 . 1 . . . . A 4 ASN CB . 19162 1 13 . 1 1 4 4 ASN N N 15 118.255 0.000 . 1 . . . . A 4 ASN N . 19162 1 14 . 1 1 5 5 VAL H H 1 7.857 0.000 . 1 . . . . A 5 VAL H . 19162 1 15 . 1 1 5 5 VAL HG11 H 1 0.892 0.000 . 2 . . . . A 5 VAL HG11 . 19162 1 16 . 1 1 5 5 VAL HG12 H 1 0.892 0.000 . 2 . . . . A 5 VAL HG12 . 19162 1 17 . 1 1 5 5 VAL HG13 H 1 0.892 0.000 . 2 . . . . A 5 VAL HG13 . 19162 1 18 . 1 1 5 5 VAL HG21 H 1 0.954 0.000 . 2 . . . . A 5 VAL HG21 . 19162 1 19 . 1 1 5 5 VAL HG22 H 1 0.954 0.000 . 2 . . . . A 5 VAL HG22 . 19162 1 20 . 1 1 5 5 VAL HG23 H 1 0.954 0.000 . 2 . . . . A 5 VAL HG23 . 19162 1 21 . 1 1 5 5 VAL C C 13 177.259 0.000 . 1 . . . . A 5 VAL C . 19162 1 22 . 1 1 5 5 VAL CA C 13 64.232 0.000 . 1 . . . . A 5 VAL CA . 19162 1 23 . 1 1 5 5 VAL CB C 13 31.524 0.000 . 1 . . . . A 5 VAL CB . 19162 1 24 . 1 1 5 5 VAL CG1 C 13 21.402 0.000 . 2 . . . . A 5 VAL CG1 . 19162 1 25 . 1 1 5 5 VAL CG2 C 13 21.677 0.000 . 2 . . . . A 5 VAL CG2 . 19162 1 26 . 1 1 5 5 VAL N N 15 119.998 0.000 . 1 . . . . A 5 VAL N . 19162 1 27 . 1 1 6 6 ILE H H 1 8.062 0.000 . 1 . . . . A 6 ILE H . 19162 1 28 . 1 1 6 6 ILE HG21 H 1 0.827 0.000 . 1 . . . . A 6 ILE HG21 . 19162 1 29 . 1 1 6 6 ILE HG22 H 1 0.827 0.000 . 1 . . . . A 6 ILE HG22 . 19162 1 30 . 1 1 6 6 ILE HG23 H 1 0.827 0.000 . 1 . . . . A 6 ILE HG23 . 19162 1 31 . 1 1 6 6 ILE HD11 H 1 0.807 0.000 . 1 . . . . A 6 ILE HD11 . 19162 1 32 . 1 1 6 6 ILE HD12 H 1 0.807 0.000 . 1 . . . . A 6 ILE HD12 . 19162 1 33 . 1 1 6 6 ILE HD13 H 1 0.807 0.000 . 1 . . . . A 6 ILE HD13 . 19162 1 34 . 1 1 6 6 ILE C C 13 177.009 0.000 . 1 . . . . A 6 ILE C . 19162 1 35 . 1 1 6 6 ILE CA C 13 63.400 0.000 . 1 . . . . A 6 ILE CA . 19162 1 36 . 1 1 6 6 ILE CB C 13 37.177 0.000 . 1 . . . . A 6 ILE CB . 19162 1 37 . 1 1 6 6 ILE CG2 C 13 17.565 0.000 . 1 . . . . A 6 ILE CG2 . 19162 1 38 . 1 1 6 6 ILE CD1 C 13 13.294 0.000 . 1 . . . . A 6 ILE CD1 . 19162 1 39 . 1 1 6 6 ILE N N 15 122.474 0.000 . 1 . . . . A 6 ILE N . 19162 1 40 . 1 1 7 7 VAL H H 1 7.993 0.000 . 1 . . . . A 7 VAL H . 19162 1 41 . 1 1 7 7 VAL HG11 H 1 0.879 0.000 . 2 . . . . A 7 VAL HG11 . 19162 1 42 . 1 1 7 7 VAL HG12 H 1 0.879 0.000 . 2 . . . . A 7 VAL HG12 . 19162 1 43 . 1 1 7 7 VAL HG13 H 1 0.879 0.000 . 2 . . . . A 7 VAL HG13 . 19162 1 44 . 1 1 7 7 VAL HG21 H 1 0.957 0.000 . 2 . . . . A 7 VAL HG21 . 19162 1 45 . 1 1 7 7 VAL HG22 H 1 0.957 0.000 . 2 . . . . A 7 VAL HG22 . 19162 1 46 . 1 1 7 7 VAL HG23 H 1 0.957 0.000 . 2 . . . . A 7 VAL HG23 . 19162 1 47 . 1 1 7 7 VAL C C 13 177.009 0.000 . 1 . . . . A 7 VAL C . 19162 1 48 . 1 1 7 7 VAL CA C 13 65.017 0.000 . 1 . . . . A 7 VAL CA . 19162 1 49 . 1 1 7 7 VAL CB C 13 31.309 0.000 . 1 . . . . A 7 VAL CB . 19162 1 50 . 1 1 7 7 VAL CG1 C 13 21.555 0.000 . 2 . . . . A 7 VAL CG1 . 19162 1 51 . 1 1 7 7 VAL CG2 C 13 22.369 0.000 . 2 . . . . A 7 VAL CG2 . 19162 1 52 . 1 1 7 7 VAL N N 15 120.915 0.000 . 1 . . . . A 7 VAL N . 19162 1 53 . 1 1 8 8 LEU H H 1 8.061 0.000 . 1 . . . . A 8 LEU H . 19162 1 54 . 1 1 8 8 LEU HD11 H 1 0.844 0.000 . 2 . . . . A 8 LEU HD11 . 19162 1 55 . 1 1 8 8 LEU HD12 H 1 0.844 0.000 . 2 . . . . A 8 LEU HD12 . 19162 1 56 . 1 1 8 8 LEU HD13 H 1 0.844 0.000 . 2 . . . . A 8 LEU HD13 . 19162 1 57 . 1 1 8 8 LEU HD21 H 1 0.810 0.000 . 2 . . . . A 8 LEU HD21 . 19162 1 58 . 1 1 8 8 LEU HD22 H 1 0.810 0.000 . 2 . . . . A 8 LEU HD22 . 19162 1 59 . 1 1 8 8 LEU HD23 H 1 0.810 0.000 . 2 . . . . A 8 LEU HD23 . 19162 1 60 . 1 1 8 8 LEU C C 13 178.655 0.000 . 1 . . . . A 8 LEU C . 19162 1 61 . 1 1 8 8 LEU CA C 13 56.781 0.000 . 1 . . . . A 8 LEU CA . 19162 1 62 . 1 1 8 8 LEU CB C 13 41.010 0.000 . 1 . . . . A 8 LEU CB . 19162 1 63 . 1 1 8 8 LEU CD1 C 13 25.018 0.000 . 2 . . . . A 8 LEU CD1 . 19162 1 64 . 1 1 8 8 LEU CD2 C 13 23.824 0.000 . 2 . . . . A 8 LEU CD2 . 19162 1 65 . 1 1 8 8 LEU N N 15 121.098 0.000 . 1 . . . . A 8 LEU N . 19162 1 66 . 1 1 9 9 ASN H H 1 8.102 0.000 . 1 . . . . A 9 ASN H . 19162 1 67 . 1 1 9 9 ASN C C 13 176.695 0.000 . 1 . . . . A 9 ASN C . 19162 1 68 . 1 1 9 9 ASN CA C 13 54.919 0.000 . 1 . . . . A 9 ASN CA . 19162 1 69 . 1 1 9 9 ASN CB C 13 38.674 0.000 . 1 . . . . A 9 ASN CB . 19162 1 70 . 1 1 9 9 ASN N N 15 118.347 0.000 . 1 . . . . A 9 ASN N . 19162 1 71 . 1 1 10 10 ALA H H 1 8.388 0.000 . 1 . . . . A 10 ALA H . 19162 1 72 . 1 1 10 10 ALA HB1 H 1 1.389 0.000 . 1 . . . . A 10 ALA HB1 . 19162 1 73 . 1 1 10 10 ALA HB2 H 1 1.389 0.000 . 1 . . . . A 10 ALA HB2 . 19162 1 74 . 1 1 10 10 ALA HB3 H 1 1.389 0.000 . 1 . . . . A 10 ALA HB3 . 19162 1 75 . 1 1 10 10 ALA C C 13 178.263 0.000 . 1 . . . . A 10 ALA C . 19162 1 76 . 1 1 10 10 ALA CA C 13 54.505 0.000 . 1 . . . . A 10 ALA CA . 19162 1 77 . 1 1 10 10 ALA CB C 13 17.942 0.000 . 1 . . . . A 10 ALA CB . 19162 1 78 . 1 1 10 10 ALA N N 15 124.124 0.000 . 1 . . . . A 10 ALA N . 19162 1 79 . 1 1 11 11 ALA H H 1 8.279 0.000 . 1 . . . . A 11 ALA H . 19162 1 80 . 1 1 11 11 ALA HB1 H 1 1.382 0.000 . 1 . . . . A 11 ALA HB1 . 19162 1 81 . 1 1 11 11 ALA HB2 H 1 1.382 0.000 . 1 . . . . A 11 ALA HB2 . 19162 1 82 . 1 1 11 11 ALA HB3 H 1 1.382 0.000 . 1 . . . . A 11 ALA HB3 . 19162 1 83 . 1 1 11 11 ALA C C 13 179.204 0.000 . 1 . . . . A 11 ALA C . 19162 1 84 . 1 1 11 11 ALA CA C 13 54.298 0.000 . 1 . . . . A 11 ALA CA . 19162 1 85 . 1 1 11 11 ALA CB C 13 17.942 0.000 . 1 . . . . A 11 ALA CB . 19162 1 86 . 1 1 11 11 ALA N N 15 119.814 0.000 . 1 . . . . A 11 ALA N . 19162 1 87 . 1 1 12 12 SER H H 1 7.952 0.000 . 1 . . . . A 12 SER H . 19162 1 88 . 1 1 12 12 SER C C 13 175.873 0.000 . 1 . . . . A 12 SER C . 19162 1 89 . 1 1 12 12 SER CA C 13 60.140 0.000 . 1 . . . . A 12 SER CA . 19162 1 90 . 1 1 12 12 SER CB C 13 63.221 0.000 . 1 . . . . A 12 SER CB . 19162 1 91 . 1 1 12 12 SER N N 15 113.303 0.000 . 1 . . . . A 12 SER N . 19162 1 92 . 1 1 13 13 ALA H H 1 7.924 0.000 . 1 . . . . A 13 ALA H . 19162 1 93 . 1 1 13 13 ALA HB1 H 1 1.382 0.000 . 1 . . . . A 13 ALA HB1 . 19162 1 94 . 1 1 13 13 ALA HB2 H 1 1.382 0.000 . 1 . . . . A 13 ALA HB2 . 19162 1 95 . 1 1 13 13 ALA HB3 H 1 1.382 0.000 . 1 . . . . A 13 ALA HB3 . 19162 1 96 . 1 1 13 13 ALA C C 13 178.420 0.000 . 1 . . . . A 13 ALA C . 19162 1 97 . 1 1 13 13 ALA CA C 13 53.470 0.000 . 1 . . . . A 13 ALA CA . 19162 1 98 . 1 1 13 13 ALA CB C 13 18.373 0.000 . 1 . . . . A 13 ALA CB . 19162 1 99 . 1 1 13 13 ALA N N 15 124.308 0.000 . 1 . . . . A 13 ALA N . 19162 1 100 . 1 1 14 14 ALA H H 1 7.965 0.000 . 1 . . . . A 14 ALA H . 19162 1 101 . 1 1 14 14 ALA HB1 H 1 1.272 0.000 . 1 . . . . A 14 ALA HB1 . 19162 1 102 . 1 1 14 14 ALA HB2 H 1 1.272 0.000 . 1 . . . . A 14 ALA HB2 . 19162 1 103 . 1 1 14 14 ALA HB3 H 1 1.272 0.000 . 1 . . . . A 14 ALA HB3 . 19162 1 104 . 1 1 14 14 ALA C C 13 178.420 0.000 . 1 . . . . A 14 ALA C . 19162 1 105 . 1 1 14 14 ALA CA C 13 53.263 0.000 . 1 . . . . A 14 ALA CA . 19162 1 106 . 1 1 14 14 ALA CB C 13 18.373 0.000 . 1 . . . . A 14 ALA CB . 19162 1 107 . 1 1 14 14 ALA N N 15 119.998 0.000 . 1 . . . . A 14 ALA N . 19162 1 108 . 1 1 15 15 GLY H H 1 8.020 0.000 . 1 . . . . A 15 GLY H . 19162 1 109 . 1 1 15 15 GLY C C 13 174.422 0.000 . 1 . . . . A 15 GLY C . 19162 1 110 . 1 1 15 15 GLY CA C 13 45.605 0.000 . 1 . . . . A 15 GLY CA . 19162 1 111 . 1 1 15 15 GLY N N 15 105.417 0.000 . 1 . . . . A 15 GLY N . 19162 1 112 . 1 1 16 16 ASN H H 1 8.156 0.000 . 1 . . . . A 16 ASN H . 19162 1 113 . 1 1 16 16 ASN C C 13 175.598 0.000 . 1 . . . . A 16 ASN C . 19162 1 114 . 1 1 16 16 ASN CA C 13 53.677 0.000 . 1 . . . . A 16 ASN CA . 19162 1 115 . 1 1 16 16 ASN CB C 13 38.621 0.000 . 1 . . . . A 16 ASN CB . 19162 1 116 . 1 1 16 16 ASN N N 15 118.989 0.000 . 1 . . . . A 16 ASN N . 19162 1 117 . 1 1 17 17 HIS H H 1 8.322 0.000 . 1 . . . . A 17 HIS H . 19162 1 118 . 1 1 17 17 HIS C C 13 176.068 0.000 . 1 . . . . A 17 HIS C . 19162 1 119 . 1 1 17 17 HIS CA C 13 56.781 0.000 . 1 . . . . A 17 HIS CA . 19162 1 120 . 1 1 17 17 HIS CB C 13 29.942 0.000 . 1 . . . . A 17 HIS CB . 19162 1 121 . 1 1 17 17 HIS N N 15 119.081 0.000 . 1 . . . . A 17 HIS N . 19162 1 122 . 1 1 18 18 GLY H H 1 8.607 0.000 . 1 . . . . A 18 GLY H . 19162 1 123 . 1 1 18 18 GLY C C 13 175.206 0.000 . 1 . . . . A 18 GLY C . 19162 1 124 . 1 1 18 18 GLY CA C 13 47.054 0.000 . 1 . . . . A 18 GLY CA . 19162 1 125 . 1 1 18 18 GLY N N 15 109.543 0.000 . 1 . . . . A 18 GLY N . 19162 1 126 . 1 1 19 19 PHE H H 1 8.716 0.000 . 1 . . . . A 19 PHE H . 19162 1 127 . 1 1 19 19 PHE C C 13 176.695 0.000 . 1 . . . . A 19 PHE C . 19162 1 128 . 1 1 19 19 PHE CA C 13 60.507 0.000 . 1 . . . . A 19 PHE CA . 19162 1 129 . 1 1 19 19 PHE CB C 13 38.638 0.000 . 1 . . . . A 19 PHE CB . 19162 1 130 . 1 1 19 19 PHE N N 15 120.640 0.000 . 1 . . . . A 19 PHE N . 19162 1 131 . 1 1 20 20 PHE H H 1 8.143 0.000 . 1 . . . . A 20 PHE H . 19162 1 132 . 1 1 20 20 PHE C C 13 176.617 0.000 . 1 . . . . A 20 PHE C . 19162 1 133 . 1 1 20 20 PHE CA C 13 61.334 0.000 . 1 . . . . A 20 PHE CA . 19162 1 134 . 1 1 20 20 PHE CB C 13 38.460 0.000 . 1 . . . . A 20 PHE CB . 19162 1 135 . 1 1 20 20 PHE N N 15 118.989 0.000 . 1 . . . . A 20 PHE N . 19162 1 136 . 1 1 21 21 TRP H H 1 7.911 0.000 . 1 . . . . A 21 TRP H . 19162 1 137 . 1 1 21 21 TRP C C 13 178.577 0.000 . 1 . . . . A 21 TRP C . 19162 1 138 . 1 1 21 21 TRP CA C 13 59.691 0.000 . 1 . . . . A 21 TRP CA . 19162 1 139 . 1 1 21 21 TRP CB C 13 29.636 0.000 . 1 . . . . A 21 TRP CB . 19162 1 140 . 1 1 21 21 TRP N N 15 118.897 0.000 . 1 . . . . A 21 TRP N . 19162 1 141 . 1 1 22 22 GLY H H 1 8.306 0.000 . 1 . . . . A 22 GLY H . 19162 1 142 . 1 1 22 22 GLY C C 13 174.657 0.000 . 1 . . . . A 22 GLY C . 19162 1 143 . 1 1 22 22 GLY CA C 13 47.261 0.000 . 1 . . . . A 22 GLY CA . 19162 1 144 . 1 1 22 22 GLY N N 15 105.692 0.000 . 1 . . . . A 22 GLY N . 19162 1 145 . 1 1 23 23 LEU H H 1 7.993 0.000 . 1 . . . . A 23 LEU H . 19162 1 146 . 1 1 23 23 LEU HD11 H 1 0.691 0.000 . 2 . . . . A 23 LEU HD11 . 19162 1 147 . 1 1 23 23 LEU HD12 H 1 0.691 0.000 . 2 . . . . A 23 LEU HD12 . 19162 1 148 . 1 1 23 23 LEU HD13 H 1 0.691 0.000 . 2 . . . . A 23 LEU HD13 . 19162 1 149 . 1 1 23 23 LEU HD21 H 1 0.685 0.000 . 2 . . . . A 23 LEU HD21 . 19162 1 150 . 1 1 23 23 LEU HD22 H 1 0.685 0.000 . 2 . . . . A 23 LEU HD22 . 19162 1 151 . 1 1 23 23 LEU HD23 H 1 0.685 0.000 . 2 . . . . A 23 LEU HD23 . 19162 1 152 . 1 1 23 23 LEU C C 13 179.752 0.000 . 1 . . . . A 23 LEU C . 19162 1 153 . 1 1 23 23 LEU CA C 13 57.402 0.000 . 1 . . . . A 23 LEU CA . 19162 1 154 . 1 1 23 23 LEU CB C 13 40.579 0.000 . 1 . . . . A 23 LEU CB . 19162 1 155 . 1 1 23 23 LEU CD1 C 13 24.429 0.000 . 2 . . . . A 23 LEU CD1 . 19162 1 156 . 1 1 23 23 LEU CD2 C 13 24.549 0.000 . 2 . . . . A 23 LEU CD2 . 19162 1 157 . 1 1 23 23 LEU N N 15 121.557 0.000 . 1 . . . . A 23 LEU N . 19162 1 158 . 1 1 24 24 LEU H H 1 8.047 0.000 . 1 . . . . A 24 LEU H . 19162 1 159 . 1 1 24 24 LEU HD11 H 1 0.668 0.000 . 2 . . . . A 24 LEU HD11 . 19162 1 160 . 1 1 24 24 LEU HD12 H 1 0.668 0.000 . 2 . . . . A 24 LEU HD12 . 19162 1 161 . 1 1 24 24 LEU HD13 H 1 0.668 0.000 . 2 . . . . A 24 LEU HD13 . 19162 1 162 . 1 1 24 24 LEU HD21 H 1 0.747 0.000 . 2 . . . . A 24 LEU HD21 . 19162 1 163 . 1 1 24 24 LEU HD22 H 1 0.747 0.000 . 2 . . . . A 24 LEU HD22 . 19162 1 164 . 1 1 24 24 LEU HD23 H 1 0.747 0.000 . 2 . . . . A 24 LEU HD23 . 19162 1 165 . 1 1 24 24 LEU C C 13 178.185 0.000 . 1 . . . . A 24 LEU C . 19162 1 166 . 1 1 24 24 LEU CA C 13 58.437 0.000 . 1 . . . . A 24 LEU CA . 19162 1 167 . 1 1 24 24 LEU CB C 13 40.439 0.000 . 1 . . . . A 24 LEU CB . 19162 1 168 . 1 1 24 24 LEU CD1 C 13 24.675 0.000 . 2 . . . . A 24 LEU CD1 . 19162 1 169 . 1 1 24 24 LEU CD2 C 13 24.802 0.000 . 2 . . . . A 24 LEU CD2 . 19162 1 170 . 1 1 24 24 LEU N N 15 122.382 0.000 . 1 . . . . A 24 LEU N . 19162 1 171 . 1 1 25 25 VAL H H 1 8.102 0.000 . 1 . . . . A 25 VAL H . 19162 1 172 . 1 1 25 25 VAL HG11 H 1 0.838 0.000 . 2 . . . . A 25 VAL HG11 . 19162 1 173 . 1 1 25 25 VAL HG12 H 1 0.838 0.000 . 2 . . . . A 25 VAL HG12 . 19162 1 174 . 1 1 25 25 VAL HG13 H 1 0.838 0.000 . 2 . . . . A 25 VAL HG13 . 19162 1 175 . 1 1 25 25 VAL HG21 H 1 1.005 0.000 . 2 . . . . A 25 VAL HG21 . 19162 1 176 . 1 1 25 25 VAL HG22 H 1 1.005 0.000 . 2 . . . . A 25 VAL HG22 . 19162 1 177 . 1 1 25 25 VAL HG23 H 1 1.005 0.000 . 2 . . . . A 25 VAL HG23 . 19162 1 178 . 1 1 25 25 VAL C C 13 177.636 0.000 . 1 . . . . A 25 VAL C . 19162 1 179 . 1 1 25 25 VAL CA C 13 67.129 0.000 . 1 . . . . A 25 VAL CA . 19162 1 180 . 1 1 25 25 VAL CB C 13 30.813 0.000 . 1 . . . . A 25 VAL CB . 19162 1 181 . 1 1 25 25 VAL CG1 C 13 21.512 0.000 . 2 . . . . A 25 VAL CG1 . 19162 1 182 . 1 1 25 25 VAL CG2 C 13 23.246 0.000 . 2 . . . . A 25 VAL CG2 . 19162 1 183 . 1 1 25 25 VAL N N 15 118.255 0.000 . 1 . . . . A 25 VAL N . 19162 1 184 . 1 1 26 26 VAL H H 1 8.088 0.000 . 1 . . . . A 26 VAL H . 19162 1 185 . 1 1 26 26 VAL HG11 H 1 0.845 0.000 . 2 . . . . A 26 VAL HG11 . 19162 1 186 . 1 1 26 26 VAL HG12 H 1 0.845 0.000 . 2 . . . . A 26 VAL HG12 . 19162 1 187 . 1 1 26 26 VAL HG13 H 1 0.845 0.000 . 2 . . . . A 26 VAL HG13 . 19162 1 188 . 1 1 26 26 VAL HG21 H 1 0.971 0.000 . 2 . . . . A 26 VAL HG21 . 19162 1 189 . 1 1 26 26 VAL HG22 H 1 0.971 0.000 . 2 . . . . A 26 VAL HG22 . 19162 1 190 . 1 1 26 26 VAL HG23 H 1 0.971 0.000 . 2 . . . . A 26 VAL HG23 . 19162 1 191 . 1 1 26 26 VAL C C 13 177.322 0.000 . 1 . . . . A 26 VAL C . 19162 1 192 . 1 1 26 26 VAL CA C 13 66.686 0.000 . 1 . . . . A 26 VAL CA . 19162 1 193 . 1 1 26 26 VAL CB C 13 30.653 0.000 . 1 . . . . A 26 VAL CB . 19162 1 194 . 1 1 26 26 VAL CG1 C 13 21.653 0.000 . 2 . . . . A 26 VAL CG1 . 19162 1 195 . 1 1 26 26 VAL CG2 C 13 22.973 0.000 . 2 . . . . A 26 VAL CG2 . 19162 1 196 . 1 1 26 26 VAL N N 15 118.072 0.000 . 1 . . . . A 26 VAL N . 19162 1 197 . 1 1 27 27 THR H H 1 8.047 0.000 . 1 . . . . A 27 THR H . 19162 1 198 . 1 1 27 27 THR HG21 H 1 1.163 0.000 . 1 . . . . A 27 THR HG21 . 19162 1 199 . 1 1 27 27 THR HG22 H 1 1.163 0.000 . 1 . . . . A 27 THR HG22 . 19162 1 200 . 1 1 27 27 THR HG23 H 1 1.163 0.000 . 1 . . . . A 27 THR HG23 . 19162 1 201 . 1 1 27 27 THR C C 13 177.322 0.000 . 1 . . . . A 27 THR C . 19162 1 202 . 1 1 27 27 THR CA C 13 67.750 0.000 . 1 . . . . A 27 THR CA . 19162 1 203 . 1 1 27 27 THR CG2 C 13 21.836 0.000 . 1 . . . . A 27 THR CG2 . 19162 1 204 . 1 1 27 27 THR N N 15 116.788 0.000 . 1 . . . . A 27 THR N . 19162 1 205 . 1 1 28 28 LEU H H 1 8.429 0.000 . 1 . . . . A 28 LEU H . 19162 1 206 . 1 1 28 28 LEU HD11 H 1 0.801 0.000 . 2 . . . . A 28 LEU HD11 . 19162 1 207 . 1 1 28 28 LEU HD12 H 1 0.801 0.000 . 2 . . . . A 28 LEU HD12 . 19162 1 208 . 1 1 28 28 LEU HD13 H 1 0.801 0.000 . 2 . . . . A 28 LEU HD13 . 19162 1 209 . 1 1 28 28 LEU HD21 H 1 0.769 0.000 . 2 . . . . A 28 LEU HD21 . 19162 1 210 . 1 1 28 28 LEU HD22 H 1 0.769 0.000 . 2 . . . . A 28 LEU HD22 . 19162 1 211 . 1 1 28 28 LEU HD23 H 1 0.769 0.000 . 2 . . . . A 28 LEU HD23 . 19162 1 212 . 1 1 28 28 LEU C C 13 178.499 0.000 . 1 . . . . A 28 LEU C . 19162 1 213 . 1 1 28 28 LEU CA C 13 58.230 0.000 . 1 . . . . A 28 LEU CA . 19162 1 214 . 1 1 28 28 LEU CB C 13 40.794 0.000 . 1 . . . . A 28 LEU CB . 19162 1 215 . 1 1 28 28 LEU CD1 C 13 24.704 0.000 . 2 . . . . A 28 LEU CD1 . 19162 1 216 . 1 1 28 28 LEU CD2 C 13 24.360 0.000 . 2 . . . . A 28 LEU CD2 . 19162 1 217 . 1 1 28 28 LEU N N 15 122.932 0.000 . 1 . . . . A 28 LEU N . 19162 1 218 . 1 1 29 29 ALA H H 1 8.607 0.000 . 1 . . . . A 29 ALA H . 19162 1 219 . 1 1 29 29 ALA HB1 H 1 1.437 0.000 . 1 . . . . A 29 ALA HB1 . 19162 1 220 . 1 1 29 29 ALA HB2 H 1 1.437 0.000 . 1 . . . . A 29 ALA HB2 . 19162 1 221 . 1 1 29 29 ALA HB3 H 1 1.437 0.000 . 1 . . . . A 29 ALA HB3 . 19162 1 222 . 1 1 29 29 ALA C C 13 178.890 0.000 . 1 . . . . A 29 ALA C . 19162 1 223 . 1 1 29 29 ALA CA C 13 55.333 0.000 . 1 . . . . A 29 ALA CA . 19162 1 224 . 1 1 29 29 ALA CB C 13 17.727 0.000 . 1 . . . . A 29 ALA CB . 19162 1 225 . 1 1 29 29 ALA N N 15 121.190 0.000 . 1 . . . . A 29 ALA N . 19162 1 226 . 1 1 30 30 TRP H H 1 8.538 0.000 . 1 . . . . A 30 TRP H . 19162 1 227 . 1 1 30 30 TRP C C 13 178.420 0.000 . 1 . . . . A 30 TRP C . 19162 1 228 . 1 1 30 30 TRP CA C 13 60.300 0.000 . 1 . . . . A 30 TRP CA . 19162 1 229 . 1 1 30 30 TRP CB C 13 28.937 0.000 . 1 . . . . A 30 TRP CB . 19162 1 230 . 1 1 30 30 TRP N N 15 118.622 0.000 . 1 . . . . A 30 TRP N . 19162 1 231 . 1 1 31 31 HIS H H 1 8.238 0.000 . 1 . . . . A 31 HIS H . 19162 1 232 . 1 1 31 31 HIS C C 13 177.949 0.000 . 1 . . . . A 31 HIS C . 19162 1 233 . 1 1 31 31 HIS CA C 13 59.886 0.000 . 1 . . . . A 31 HIS CA . 19162 1 234 . 1 1 31 31 HIS CB C 13 30.015 0.000 . 1 . . . . A 31 HIS CB . 19162 1 235 . 1 1 31 31 HIS N N 15 117.888 0.000 . 1 . . . . A 31 HIS N . 19162 1 236 . 1 1 32 32 VAL H H 1 8.429 0.000 . 1 . . . . A 32 VAL H . 19162 1 237 . 1 1 32 32 VAL HG11 H 1 0.882 0.000 . 2 . . . . A 32 VAL HG11 . 19162 1 238 . 1 1 32 32 VAL HG12 H 1 0.882 0.000 . 2 . . . . A 32 VAL HG12 . 19162 1 239 . 1 1 32 32 VAL HG13 H 1 0.882 0.000 . 2 . . . . A 32 VAL HG13 . 19162 1 240 . 1 1 32 32 VAL C C 13 177.401 0.000 . 1 . . . . A 32 VAL C . 19162 1 241 . 1 1 32 32 VAL CA C 13 64.853 0.000 . 1 . . . . A 32 VAL CA . 19162 1 242 . 1 1 32 32 VAL CB C 13 30.877 0.000 . 1 . . . . A 32 VAL CB . 19162 1 243 . 1 1 32 32 VAL CG1 C 13 21.919 0.000 . 2 . . . . A 32 VAL CG1 . 19162 1 244 . 1 1 32 32 VAL N N 15 116.788 0.000 . 1 . . . . A 32 VAL N . 19162 1 245 . 1 1 33 33 LYS H H 1 8.047 0.000 . 1 . . . . A 33 LYS H . 19162 1 246 . 1 1 33 33 LYS C C 13 177.636 0.000 . 1 . . . . A 33 LYS C . 19162 1 247 . 1 1 33 33 LYS CA C 13 58.851 0.000 . 1 . . . . A 33 LYS CA . 19162 1 248 . 1 1 33 33 LYS CB C 13 31.134 0.000 . 1 . . . . A 33 LYS CB . 19162 1 249 . 1 1 33 33 LYS N N 15 120.548 0.000 . 1 . . . . A 33 LYS N . 19162 1 250 . 1 1 34 34 GLY H H 1 7.938 0.000 . 1 . . . . A 34 GLY H . 19162 1 251 . 1 1 34 34 GLY C C 13 174.814 0.000 . 1 . . . . A 34 GLY C . 19162 1 252 . 1 1 34 34 GLY CA C 13 46.019 0.000 . 1 . . . . A 34 GLY CA . 19162 1 253 . 1 1 34 34 GLY N N 15 106.701 0.000 . 1 . . . . A 34 GLY N . 19162 1 254 . 1 1 35 35 ARG H H 1 7.624 0.000 . 1 . . . . A 35 ARG H . 19162 1 255 . 1 1 35 35 ARG C C 13 176.460 0.000 . 1 . . . . A 35 ARG C . 19162 1 256 . 1 1 35 35 ARG CA C 13 55.954 0.000 . 1 . . . . A 35 ARG CA . 19162 1 257 . 1 1 35 35 ARG CB C 13 29.799 0.000 . 1 . . . . A 35 ARG CB . 19162 1 258 . 1 1 35 35 ARG N N 15 118.164 0.000 . 1 . . . . A 35 ARG N . 19162 1 259 . 1 1 36 36 LEU H H 1 7.720 0.000 . 1 . . . . A 36 LEU H . 19162 1 260 . 1 1 36 36 LEU HD11 H 1 0.808 0.000 . 2 . . . . A 36 LEU HD11 . 19162 1 261 . 1 1 36 36 LEU HD12 H 1 0.808 0.000 . 2 . . . . A 36 LEU HD12 . 19162 1 262 . 1 1 36 36 LEU HD13 H 1 0.808 0.000 . 2 . . . . A 36 LEU HD13 . 19162 1 263 . 1 1 36 36 LEU HD21 H 1 0.773 0.000 . 2 . . . . A 36 LEU HD21 . 19162 1 264 . 1 1 36 36 LEU HD22 H 1 0.773 0.000 . 2 . . . . A 36 LEU HD22 . 19162 1 265 . 1 1 36 36 LEU HD23 H 1 0.773 0.000 . 2 . . . . A 36 LEU HD23 . 19162 1 266 . 1 1 36 36 LEU C C 13 176.539 0.000 . 1 . . . . A 36 LEU C . 19162 1 267 . 1 1 36 36 LEU CA C 13 55.540 0.000 . 1 . . . . A 36 LEU CA . 19162 1 268 . 1 1 36 36 LEU CB C 13 42.303 0.000 . 1 . . . . A 36 LEU CB . 19162 1 269 . 1 1 36 36 LEU CD1 C 13 25.674 0.000 . 2 . . . . A 36 LEU CD1 . 19162 1 270 . 1 1 36 36 LEU CD2 C 13 23.495 0.000 . 2 . . . . A 36 LEU CD2 . 19162 1 271 . 1 1 36 36 LEU N N 15 118.897 0.000 . 1 . . . . A 36 LEU N . 19162 1 272 . 1 1 37 37 VAL H H 1 7.911 0.000 . 1 . . . . A 37 VAL H . 19162 1 273 . 1 1 37 37 VAL HG11 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG11 . 19162 1 274 . 1 1 37 37 VAL HG12 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG12 . 19162 1 275 . 1 1 37 37 VAL HG13 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG13 . 19162 1 276 . 1 1 37 37 VAL HG21 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG21 . 19162 1 277 . 1 1 37 37 VAL HG22 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG22 . 19162 1 278 . 1 1 37 37 VAL HG23 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG23 . 19162 1 279 . 1 1 37 37 VAL C C 13 173.804 0.000 . 1 . . . . A 37 VAL C . 19162 1 280 . 1 1 37 37 VAL CA C 13 59.472 0.000 . 1 . . . . A 37 VAL CA . 19162 1 281 . 1 1 37 37 VAL CB C 13 31.722 0.000 . 1 . . . . A 37 VAL CB . 19162 1 282 . 1 1 37 37 VAL CG1 C 13 21.937 0.000 . 2 . . . . A 37 VAL CG1 . 19162 1 283 . 1 1 37 37 VAL CG2 C 13 20.823 0.000 . 2 . . . . A 37 VAL CG2 . 19162 1 284 . 1 1 37 37 VAL N N 15 118.530 0.000 . 1 . . . . A 37 VAL N . 19162 1 285 . 1 1 38 38 PRO C C 13 177.636 0.000 . 1 . . . . A 38 PRO C . 19162 1 286 . 1 1 38 38 PRO CA C 13 63.611 0.000 . 1 . . . . A 38 PRO CA . 19162 1 287 . 1 1 38 38 PRO CB C 13 31.093 0.000 . 1 . . . . A 38 PRO CB . 19162 1 288 . 1 1 39 39 GLY H H 1 8.525 0.000 . 1 . . . . A 39 GLY H . 19162 1 289 . 1 1 39 39 GLY C C 13 174.422 0.000 . 1 . . . . A 39 GLY C . 19162 1 290 . 1 1 39 39 GLY CA C 13 45.192 0.000 . 1 . . . . A 39 GLY CA . 19162 1 291 . 1 1 39 39 GLY N N 15 109.268 0.000 . 1 . . . . A 39 GLY N . 19162 1 292 . 1 1 40 40 ALA H H 1 7.965 0.000 . 1 . . . . A 40 ALA H . 19162 1 293 . 1 1 40 40 ALA HB1 H 1 1.327 0.000 . 1 . . . . A 40 ALA HB1 . 19162 1 294 . 1 1 40 40 ALA HB2 H 1 1.327 0.000 . 1 . . . . A 40 ALA HB2 . 19162 1 295 . 1 1 40 40 ALA HB3 H 1 1.327 0.000 . 1 . . . . A 40 ALA HB3 . 19162 1 296 . 1 1 40 40 ALA C C 13 178.028 0.000 . 1 . . . . A 40 ALA C . 19162 1 297 . 1 1 40 40 ALA CA C 13 52.642 0.000 . 1 . . . . A 40 ALA CA . 19162 1 298 . 1 1 40 40 ALA CB C 13 18.804 0.000 . 1 . . . . A 40 ALA CB . 19162 1 299 . 1 1 40 40 ALA N N 15 123.391 0.000 . 1 . . . . A 40 ALA N . 19162 1 300 . 1 1 41 41 THR H H 1 8.115 0.000 . 1 . . . . A 41 THR H . 19162 1 301 . 1 1 41 41 THR HG21 H 1 1.108 0.000 . 1 . . . . A 41 THR HG21 . 19162 1 302 . 1 1 41 41 THR HG22 H 1 1.108 0.000 . 1 . . . . A 41 THR HG22 . 19162 1 303 . 1 1 41 41 THR HG23 H 1 1.108 0.000 . 1 . . . . A 41 THR HG23 . 19162 1 304 . 1 1 41 41 THR C C 13 175.363 0.000 . 1 . . . . A 41 THR C . 19162 1 305 . 1 1 41 41 THR CA C 13 62.162 0.000 . 1 . . . . A 41 THR CA . 19162 1 306 . 1 1 41 41 THR CB C 13 69.467 0.000 . 1 . . . . A 41 THR CB . 19162 1 307 . 1 1 41 41 THR CG2 C 13 21.635 0.000 . 1 . . . . A 41 THR CG2 . 19162 1 308 . 1 1 41 41 THR N N 15 113.028 0.000 . 1 . . . . A 41 THR N . 19162 1 309 . 1 1 42 42 TYR H H 1 8.429 0.000 . 1 . . . . A 42 TYR H . 19162 1 310 . 1 1 42 42 TYR C C 13 176.303 0.000 . 1 . . . . A 42 TYR C . 19162 1 311 . 1 1 42 42 TYR CA C 13 59.473 0.000 . 1 . . . . A 42 TYR CA . 19162 1 312 . 1 1 42 42 TYR CB C 13 37.992 0.000 . 1 . . . . A 42 TYR CB . 19162 1 313 . 1 1 42 42 TYR N N 15 121.373 0.000 . 1 . . . . A 42 TYR N . 19162 1 314 . 1 1 43 43 LEU H H 1 7.899 0.000 . 1 . . . . A 43 LEU H . 19162 1 315 . 1 1 43 43 LEU HD11 H 1 0.768 0.000 . 2 . . . . A 43 LEU HD11 . 19162 1 316 . 1 1 43 43 LEU HD12 H 1 0.768 0.000 . 2 . . . . A 43 LEU HD12 . 19162 1 317 . 1 1 43 43 LEU HD13 H 1 0.768 0.000 . 2 . . . . A 43 LEU HD13 . 19162 1 318 . 1 1 43 43 LEU HD21 H 1 0.823 0.000 . 2 . . . . A 43 LEU HD21 . 19162 1 319 . 1 1 43 43 LEU HD22 H 1 0.823 0.000 . 2 . . . . A 43 LEU HD22 . 19162 1 320 . 1 1 43 43 LEU HD23 H 1 0.823 0.000 . 2 . . . . A 43 LEU HD23 . 19162 1 321 . 1 1 43 43 LEU C C 13 177.405 0.000 . 1 . . . . A 43 LEU C . 19162 1 322 . 1 1 43 43 LEU CA C 13 55.540 0.000 . 1 . . . . A 43 LEU CA . 19162 1 323 . 1 1 43 43 LEU CB C 13 41.455 0.000 . 1 . . . . A 43 LEU CB . 19162 1 324 . 1 1 43 43 LEU CD1 C 13 23.856 0.000 . 2 . . . . A 43 LEU CD1 . 19162 1 325 . 1 1 43 43 LEU CD2 C 13 25.343 0.000 . 2 . . . . A 43 LEU CD2 . 19162 1 326 . 1 1 43 43 LEU N N 15 119.906 0.000 . 1 . . . . A 43 LEU N . 19162 1 327 . 1 1 44 44 SER H H 1 7.979 0.000 . 1 . . . . A 44 SER H . 19162 1 328 . 1 1 44 44 SER C C 13 175.049 0.000 . 1 . . . . A 44 SER C . 19162 1 329 . 1 1 44 44 SER CA C 13 59.058 0.000 . 1 . . . . A 44 SER CA . 19162 1 330 . 1 1 44 44 SER CB C 13 63.649 0.000 . 1 . . . . A 44 SER CB . 19162 1 331 . 1 1 44 44 SER N N 15 115.779 0.000 . 1 . . . . A 44 SER N . 19162 1 332 . 1 1 45 45 LEU H H 1 8.211 0.000 . 1 . . . . A 45 LEU H . 19162 1 333 . 1 1 45 45 LEU HD11 H 1 0.845 0.000 . 2 . . . . A 45 LEU HD11 . 19162 1 334 . 1 1 45 45 LEU HD12 H 1 0.845 0.000 . 2 . . . . A 45 LEU HD12 . 19162 1 335 . 1 1 45 45 LEU HD13 H 1 0.845 0.000 . 2 . . . . A 45 LEU HD13 . 19162 1 336 . 1 1 45 45 LEU HD21 H 1 0.767 0.000 . 2 . . . . A 45 LEU HD21 . 19162 1 337 . 1 1 45 45 LEU HD22 H 1 0.767 0.000 . 2 . . . . A 45 LEU HD22 . 19162 1 338 . 1 1 45 45 LEU HD23 H 1 0.767 0.000 . 2 . . . . A 45 LEU HD23 . 19162 1 339 . 1 1 45 45 LEU C C 13 177.322 0.000 . 1 . . . . A 45 LEU C . 19162 1 340 . 1 1 45 45 LEU CA C 13 55.747 0.000 . 1 . . . . A 45 LEU CA . 19162 1 341 . 1 1 45 45 LEU CB C 13 41.441 0.000 . 1 . . . . A 45 LEU CB . 19162 1 342 . 1 1 45 45 LEU CD1 C 13 25.750 0.000 . 2 . . . . A 45 LEU CD1 . 19162 1 343 . 1 1 45 45 LEU CD2 C 13 23.540 0.000 . 2 . . . . A 45 LEU CD2 . 19162 1 344 . 1 1 45 45 LEU N N 15 122.199 0.000 . 1 . . . . A 45 LEU N . 19162 1 345 . 1 1 46 46 GLY H H 1 8.129 0.000 . 1 . . . . A 46 GLY H . 19162 1 346 . 1 1 46 46 GLY C C 13 174.422 0.000 . 1 . . . . A 46 GLY C . 19162 1 347 . 1 1 46 46 GLY CA C 13 45.812 0.000 . 1 . . . . A 46 GLY CA . 19162 1 348 . 1 1 46 46 GLY N N 15 105.325 0.000 . 1 . . . . A 46 GLY N . 19162 1 349 . 1 1 47 47 VAL H H 1 7.897 0.000 . 1 . . . . A 47 VAL H . 19162 1 350 . 1 1 47 47 VAL HG11 H 1 0.710 0.000 . 2 . . . . A 47 VAL HG11 . 19162 1 351 . 1 1 47 47 VAL HG12 H 1 0.710 0.000 . 2 . . . . A 47 VAL HG12 . 19162 1 352 . 1 1 47 47 VAL HG13 H 1 0.710 0.000 . 2 . . . . A 47 VAL HG13 . 19162 1 353 . 1 1 47 47 VAL HG21 H 1 0.714 0.000 . 2 . . . . A 47 VAL HG21 . 19162 1 354 . 1 1 47 47 VAL HG22 H 1 0.714 0.000 . 2 . . . . A 47 VAL HG22 . 19162 1 355 . 1 1 47 47 VAL HG23 H 1 0.714 0.000 . 2 . . . . A 47 VAL HG23 . 19162 1 356 . 1 1 47 47 VAL C C 13 177.087 0.000 . 1 . . . . A 47 VAL C . 19162 1 357 . 1 1 47 47 VAL CA C 13 62.783 0.000 . 1 . . . . A 47 VAL CA . 19162 1 358 . 1 1 47 47 VAL CB C 13 31.524 0.000 . 1 . . . . A 47 VAL CB . 19162 1 359 . 1 1 47 47 VAL CG1 C 13 20.924 0.000 . 2 . . . . A 47 VAL CG1 . 19162 1 360 . 1 1 47 47 VAL CG2 C 13 20.411 0.000 . 2 . . . . A 47 VAL CG2 . 19162 1 361 . 1 1 47 47 VAL N N 15 117.063 0.000 . 1 . . . . A 47 VAL N . 19162 1 362 . 1 1 48 48 TRP H H 1 7.938 0.000 . 1 . . . . A 48 TRP H . 19162 1 363 . 1 1 48 48 TRP C C 13 175.284 0.000 . 1 . . . . A 48 TRP C . 19162 1 364 . 1 1 48 48 TRP CA C 13 60.921 0.000 . 1 . . . . A 48 TRP CA . 19162 1 365 . 1 1 48 48 TRP CB C 13 27.644 0.000 . 1 . . . . A 48 TRP CB . 19162 1 366 . 1 1 48 48 TRP N N 15 121.465 0.000 . 1 . . . . A 48 TRP N . 19162 1 367 . 1 1 49 49 PRO C C 13 177.610 0.000 . 1 . . . . A 49 PRO C . 19162 1 368 . 1 1 49 49 PRO CA C 13 65.888 0.000 . 1 . . . . A 49 PRO CA . 19162 1 369 . 1 1 49 49 PRO CB C 13 30.599 0.000 . 1 . . . . A 49 PRO CB . 19162 1 370 . 1 1 50 50 LEU H H 1 7.215 0.000 . 1 . . . . A 50 LEU H . 19162 1 371 . 1 1 50 50 LEU HD11 H 1 0.887 0.000 . 2 . . . . A 50 LEU HD11 . 19162 1 372 . 1 1 50 50 LEU HD12 H 1 0.887 0.000 . 2 . . . . A 50 LEU HD12 . 19162 1 373 . 1 1 50 50 LEU HD13 H 1 0.887 0.000 . 2 . . . . A 50 LEU HD13 . 19162 1 374 . 1 1 50 50 LEU HD21 H 1 0.830 0.000 . 2 . . . . A 50 LEU HD21 . 19162 1 375 . 1 1 50 50 LEU HD22 H 1 0.830 0.000 . 2 . . . . A 50 LEU HD22 . 19162 1 376 . 1 1 50 50 LEU HD23 H 1 0.830 0.000 . 2 . . . . A 50 LEU HD23 . 19162 1 377 . 1 1 50 50 LEU C C 13 179.125 0.000 . 1 . . . . A 50 LEU C . 19162 1 378 . 1 1 50 50 LEU CA C 13 57.195 0.000 . 1 . . . . A 50 LEU CA . 19162 1 379 . 1 1 50 50 LEU CB C 13 40.579 0.000 . 1 . . . . A 50 LEU CB . 19162 1 380 . 1 1 50 50 LEU CD1 C 13 24.936 0.000 . 2 . . . . A 50 LEU CD1 . 19162 1 381 . 1 1 50 50 LEU CD2 C 13 23.894 0.000 . 2 . . . . A 50 LEU CD2 . 19162 1 382 . 1 1 50 50 LEU N N 15 115.596 0.000 . 1 . . . . A 50 LEU N . 19162 1 383 . 1 1 51 51 LEU H H 1 7.856 0.000 . 1 . . . . A 51 LEU H . 19162 1 384 . 1 1 51 51 LEU HD11 H 1 0.745 0.000 . 2 . . . . A 51 LEU HD11 . 19162 1 385 . 1 1 51 51 LEU HD12 H 1 0.745 0.000 . 2 . . . . A 51 LEU HD12 . 19162 1 386 . 1 1 51 51 LEU HD13 H 1 0.745 0.000 . 2 . . . . A 51 LEU HD13 . 19162 1 387 . 1 1 51 51 LEU HD21 H 1 0.778 0.000 . 2 . . . . A 51 LEU HD21 . 19162 1 388 . 1 1 51 51 LEU HD22 H 1 0.778 0.000 . 2 . . . . A 51 LEU HD22 . 19162 1 389 . 1 1 51 51 LEU HD23 H 1 0.778 0.000 . 2 . . . . A 51 LEU HD23 . 19162 1 390 . 1 1 51 51 LEU C C 13 178.812 0.000 . 1 . . . . A 51 LEU C . 19162 1 391 . 1 1 51 51 LEU CA C 13 57.402 0.000 . 1 . . . . A 51 LEU CA . 19162 1 392 . 1 1 51 51 LEU CB C 13 41.027 0.000 . 1 . . . . A 51 LEU CB . 19162 1 393 . 1 1 51 51 LEU CD1 C 13 25.198 0.000 . 2 . . . . A 51 LEU CD1 . 19162 1 394 . 1 1 51 51 LEU CD2 C 13 23.967 0.000 . 2 . . . . A 51 LEU CD2 . 19162 1 395 . 1 1 51 51 LEU N N 15 119.906 0.000 . 1 . . . . A 51 LEU N . 19162 1 396 . 1 1 52 52 LEU H H 1 7.965 0.000 . 1 . . . . A 52 LEU H . 19162 1 397 . 1 1 52 52 LEU HD11 H 1 0.887 0.000 . 2 . . . . A 52 LEU HD11 . 19162 1 398 . 1 1 52 52 LEU HD12 H 1 0.887 0.000 . 2 . . . . A 52 LEU HD12 . 19162 1 399 . 1 1 52 52 LEU HD13 H 1 0.887 0.000 . 2 . . . . A 52 LEU HD13 . 19162 1 400 . 1 1 52 52 LEU HD21 H 1 0.833 0.000 . 2 . . . . A 52 LEU HD21 . 19162 1 401 . 1 1 52 52 LEU HD22 H 1 0.833 0.000 . 2 . . . . A 52 LEU HD22 . 19162 1 402 . 1 1 52 52 LEU HD23 H 1 0.833 0.000 . 2 . . . . A 52 LEU HD23 . 19162 1 403 . 1 1 52 52 LEU C C 13 178.655 0.000 . 1 . . . . A 52 LEU C . 19162 1 404 . 1 1 52 52 LEU CA C 13 57.753 0.000 . 1 . . . . A 52 LEU CA . 19162 1 405 . 1 1 52 52 LEU CB C 13 40.974 0.000 . 1 . . . . A 52 LEU CB . 19162 1 406 . 1 1 52 52 LEU CD1 C 13 24.926 0.000 . 2 . . . . A 52 LEU CD1 . 19162 1 407 . 1 1 52 52 LEU CD2 C 13 24.298 0.000 . 2 . . . . A 52 LEU CD2 . 19162 1 408 . 1 1 52 52 LEU N N 15 117.980 0.000 . 1 . . . . A 52 LEU N . 19162 1 409 . 1 1 53 53 VAL H H 1 7.774 0.000 . 1 . . . . A 53 VAL H . 19162 1 410 . 1 1 53 53 VAL HG11 H 1 0.930 0.000 . 2 . . . . A 53 VAL HG11 . 19162 1 411 . 1 1 53 53 VAL HG12 H 1 0.930 0.000 . 2 . . . . A 53 VAL HG12 . 19162 1 412 . 1 1 53 53 VAL HG13 H 1 0.930 0.000 . 2 . . . . A 53 VAL HG13 . 19162 1 413 . 1 1 53 53 VAL HG21 H 1 1.040 0.000 . 2 . . . . A 53 VAL HG21 . 19162 1 414 . 1 1 53 53 VAL HG22 H 1 1.040 0.000 . 2 . . . . A 53 VAL HG22 . 19162 1 415 . 1 1 53 53 VAL HG23 H 1 1.040 0.000 . 2 . . . . A 53 VAL HG23 . 19162 1 416 . 1 1 53 53 VAL C C 13 177.636 0.000 . 1 . . . . A 53 VAL C . 19162 1 417 . 1 1 53 53 VAL CA C 13 66.302 0.000 . 1 . . . . A 53 VAL CA . 19162 1 418 . 1 1 53 53 VAL CB C 13 30.877 0.000 . 1 . . . . A 53 VAL CB . 19162 1 419 . 1 1 53 53 VAL CG1 C 13 21.649 0.000 . 2 . . . . A 53 VAL CG1 . 19162 1 420 . 1 1 53 53 VAL CG2 C 13 23.131 0.000 . 2 . . . . A 53 VAL CG2 . 19162 1 421 . 1 1 53 53 VAL N N 15 117.063 0.000 . 1 . . . . A 53 VAL N . 19162 1 422 . 1 1 54 54 ARG H H 1 7.665 0.000 . 1 . . . . A 54 ARG H . 19162 1 423 . 1 1 54 54 ARG C C 13 178.263 0.000 . 1 . . . . A 54 ARG C . 19162 1 424 . 1 1 54 54 ARG CA C 13 58.230 0.000 . 1 . . . . A 54 ARG CA . 19162 1 425 . 1 1 54 54 ARG CB C 13 29.368 0.000 . 1 . . . . A 54 ARG CB . 19162 1 426 . 1 1 54 54 ARG N N 15 118.439 0.000 . 1 . . . . A 54 ARG N . 19162 1 427 . 1 1 55 55 LEU H H 1 7.789 0.000 . 1 . . . . A 55 LEU H . 19162 1 428 . 1 1 55 55 LEU HD11 H 1 0.852 0.000 . 2 . . . . A 55 LEU HD11 . 19162 1 429 . 1 1 55 55 LEU HD12 H 1 0.852 0.000 . 2 . . . . A 55 LEU HD12 . 19162 1 430 . 1 1 55 55 LEU HD13 H 1 0.852 0.000 . 2 . . . . A 55 LEU HD13 . 19162 1 431 . 1 1 55 55 LEU HD21 H 1 0.830 0.000 . 2 . . . . A 55 LEU HD21 . 19162 1 432 . 1 1 55 55 LEU HD22 H 1 0.830 0.000 . 2 . . . . A 55 LEU HD22 . 19162 1 433 . 1 1 55 55 LEU HD23 H 1 0.830 0.000 . 2 . . . . A 55 LEU HD23 . 19162 1 434 . 1 1 55 55 LEU C C 13 177.649 0.000 . 1 . . . . A 55 LEU C . 19162 1 435 . 1 1 55 55 LEU CA C 13 56.521 0.000 . 1 . . . . A 55 LEU CA . 19162 1 436 . 1 1 55 55 LEU CB C 13 42.097 0.000 . 1 . . . . A 55 LEU CB . 19162 1 437 . 1 1 55 55 LEU CD1 C 13 25.423 0.000 . 2 . . . . A 55 LEU CD1 . 19162 1 438 . 1 1 55 55 LEU CD2 C 13 23.894 0.000 . 2 . . . . A 55 LEU CD2 . 19162 1 439 . 1 1 55 55 LEU N N 15 117.888 0.000 . 1 . . . . A 55 LEU N . 19162 1 440 . 1 1 56 56 LEU H H 1 7.693 0.000 . 1 . . . . A 56 LEU H . 19162 1 441 . 1 1 56 56 LEU HD11 H 1 0.803 0.000 . 2 . . . . A 56 LEU HD11 . 19162 1 442 . 1 1 56 56 LEU HD12 H 1 0.803 0.000 . 2 . . . . A 56 LEU HD12 . 19162 1 443 . 1 1 56 56 LEU HD13 H 1 0.803 0.000 . 2 . . . . A 56 LEU HD13 . 19162 1 444 . 1 1 56 56 LEU HD21 H 1 0.779 0.000 . 2 . . . . A 56 LEU HD21 . 19162 1 445 . 1 1 56 56 LEU HD22 H 1 0.779 0.000 . 2 . . . . A 56 LEU HD22 . 19162 1 446 . 1 1 56 56 LEU HD23 H 1 0.779 0.000 . 2 . . . . A 56 LEU HD23 . 19162 1 447 . 1 1 56 56 LEU C C 13 176.930 0.000 . 1 . . . . A 56 LEU C . 19162 1 448 . 1 1 56 56 LEU CA C 13 55.333 0.000 . 1 . . . . A 56 LEU CA . 19162 1 449 . 1 1 56 56 LEU CB C 13 41.990 0.000 . 1 . . . . A 56 LEU CB . 19162 1 450 . 1 1 56 56 LEU CD1 C 13 25.757 0.000 . 2 . . . . A 56 LEU CD1 . 19162 1 451 . 1 1 56 56 LEU CD2 C 13 23.246 0.000 . 2 . . . . A 56 LEU CD2 . 19162 1 452 . 1 1 56 56 LEU N N 15 116.146 0.000 . 1 . . . . A 56 LEU N . 19162 1 453 . 1 1 57 57 ARG H H 1 7.856 0.000 . 1 . . . . A 57 ARG H . 19162 1 454 . 1 1 57 57 ARG C C 13 173.795 0.000 . 1 . . . . A 57 ARG C . 19162 1 455 . 1 1 57 57 ARG CA C 13 54.919 0.000 . 1 . . . . A 57 ARG CA . 19162 1 456 . 1 1 57 57 ARG CB C 13 29.153 0.000 . 1 . . . . A 57 ARG CB . 19162 1 457 . 1 1 57 57 ARG N N 15 118.897 0.000 . 1 . . . . A 57 ARG N . 19162 1 458 . 1 1 58 58 PRO C C 13 177.009 0.000 . 1 . . . . A 58 PRO C . 19162 1 459 . 1 1 58 58 PRO CA C 13 63.611 0.000 . 1 . . . . A 58 PRO CA . 19162 1 460 . 1 1 58 58 PRO CB C 13 31.027 0.000 . 1 . . . . A 58 PRO CB . 19162 1 461 . 1 1 59 59 HIS H H 1 8.375 0.000 . 1 . . . . A 59 HIS H . 19162 1 462 . 1 1 59 59 HIS C C 13 175.520 0.000 . 1 . . . . A 59 HIS C . 19162 1 463 . 1 1 59 59 HIS CA C 13 56.574 0.000 . 1 . . . . A 59 HIS CA . 19162 1 464 . 1 1 59 59 HIS CB C 13 30.446 0.000 . 1 . . . . A 59 HIS CB . 19162 1 465 . 1 1 59 59 HIS N N 15 119.264 0.000 . 1 . . . . A 59 HIS N . 19162 1 466 . 1 1 60 60 ARG H H 1 7.980 0.000 . 1 . . . . A 60 ARG H . 19162 1 467 . 1 1 60 60 ARG C C 13 175.598 0.000 . 1 . . . . A 60 ARG C . 19162 1 468 . 1 1 60 60 ARG CA C 13 55.751 0.000 . 1 . . . . A 60 ARG CA . 19162 1 469 . 1 1 60 60 ARG CB C 13 30.064 0.000 . 1 . . . . A 60 ARG CB . 19162 1 470 . 1 1 60 60 ARG N N 15 122.382 0.000 . 1 . . . . A 60 ARG N . 19162 1 471 . 1 1 61 61 ALA H H 1 8.320 0.000 . 1 . . . . A 61 ALA H . 19162 1 472 . 1 1 61 61 ALA HB1 H 1 1.348 0.000 . 1 . . . . A 61 ALA HB1 . 19162 1 473 . 1 1 61 61 ALA HB2 H 1 1.348 0.000 . 1 . . . . A 61 ALA HB2 . 19162 1 474 . 1 1 61 61 ALA HB3 H 1 1.348 0.000 . 1 . . . . A 61 ALA HB3 . 19162 1 475 . 1 1 61 61 ALA C C 13 177.401 0.000 . 1 . . . . A 61 ALA C . 19162 1 476 . 1 1 61 61 ALA CA C 13 52.228 0.000 . 1 . . . . A 61 ALA CA . 19162 1 477 . 1 1 61 61 ALA CB C 13 18.804 0.000 . 1 . . . . A 61 ALA CB . 19162 1 478 . 1 1 61 61 ALA N N 15 125.041 0.000 . 1 . . . . A 61 ALA N . 19162 1 479 . 1 1 62 62 LEU H H 1 8.115 0.000 . 1 . . . . A 62 LEU H . 19162 1 480 . 1 1 62 62 LEU HD11 H 1 0.862 0.000 . 2 . . . . A 62 LEU HD11 . 19162 1 481 . 1 1 62 62 LEU HD12 H 1 0.862 0.000 . 2 . . . . A 62 LEU HD12 . 19162 1 482 . 1 1 62 62 LEU HD13 H 1 0.862 0.000 . 2 . . . . A 62 LEU HD13 . 19162 1 483 . 1 1 62 62 LEU HD21 H 1 0.802 0.000 . 2 . . . . A 62 LEU HD21 . 19162 1 484 . 1 1 62 62 LEU HD22 H 1 0.802 0.000 . 2 . . . . A 62 LEU HD22 . 19162 1 485 . 1 1 62 62 LEU HD23 H 1 0.802 0.000 . 2 . . . . A 62 LEU HD23 . 19162 1 486 . 1 1 62 62 LEU C C 13 175.911 0.000 . 1 . . . . A 62 LEU C . 19162 1 487 . 1 1 62 62 LEU CA C 13 54.919 0.000 . 1 . . . . A 62 LEU CA . 19162 1 488 . 1 1 62 62 LEU CB C 13 41.657 0.000 . 1 . . . . A 62 LEU CB . 19162 1 489 . 1 1 62 62 LEU CD1 C 13 25.325 0.000 . 2 . . . . A 62 LEU CD1 . 19162 1 490 . 1 1 62 62 LEU CD2 C 13 23.485 0.000 . 2 . . . . A 62 LEU CD2 . 19162 1 491 . 1 1 62 62 LEU N N 15 121.281 0.000 . 1 . . . . A 62 LEU N . 19162 1 492 . 1 1 63 63 ALA H H 1 7.639 0.000 . 1 . . . . A 63 ALA H . 19162 1 493 . 1 1 63 63 ALA HB1 H 1 1.252 0.000 . 1 . . . . A 63 ALA HB1 . 19162 1 494 . 1 1 63 63 ALA HB2 H 1 1.252 0.000 . 1 . . . . A 63 ALA HB2 . 19162 1 495 . 1 1 63 63 ALA HB3 H 1 1.252 0.000 . 1 . . . . A 63 ALA HB3 . 19162 1 496 . 1 1 63 63 ALA C C 13 172.086 0.000 . 1 . . . . A 63 ALA C . 19162 1 497 . 1 1 63 63 ALA CA C 13 53.470 0.000 . 1 . . . . A 63 ALA CA . 19162 1 498 . 1 1 63 63 ALA CB C 13 19.882 0.000 . 1 . . . . A 63 ALA CB . 19162 1 499 . 1 1 63 63 ALA N N 15 105.784 0.000 . 1 . . . . A 63 ALA N . 19162 1 stop_ save_