data_31085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31085 _Entry.Title ; Open State of the SARS-CoV-2 Envelope Protein Transmembrane Domain, Determined by Solid-State NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-14 _Entry.Accession_date 2023-05-14 _Entry.Last_release_date 2023-06-14 _Entry.Original_release_date 2023-06-14 _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 'SOLID-STATE NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Medeiros-Silva J. . . . 31085 2 A. Dregni A. J. . . 31085 3 N. Somberg N. H. . . 31085 4 M. Hong M. . . . 31085 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cation Channel' . 31085 SARS-CoV-2 . 31085 'VIRAL PROTEIN' . 31085 Viroporin . 31085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 146 31085 '15N chemical shifts' 34 31085 '1H chemical shifts' 32 31085 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 . . 2023-10-19 . original BMRB . 31085 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8SUZ 'BMRB Entry Tracking System' 31085 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31085 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Atomic Structure of the SARS-CoV-2 Envelope Protein at Acidic pH in the Presence of Calcium ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Medeiros-Silva J. . . . 31085 1 2 A. Dregni A. J. . . 31085 1 3 A. Somberg A. H. . . 31085 1 4 M. Hong M. . . . 31085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31085 _Assembly.ID 1 _Assembly.Name 'Envelope small membrane protein' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31085 1 2 unit_2 1 $entity_1 B B yes . . . . . . 31085 1 3 unit_3 1 $entity_1 C C yes . . . . . . 31085 1 4 unit_4 1 $entity_1 D D yes . . . . . . 31085 1 5 unit_5 1 $entity_1 E E yes . . . . . . 31085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D,E _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ETGTLIVNSVLLFLAFVVFL LVTLAILTALR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3362.115 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'sM protein' common 31085 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 8 GLU . 31085 1 2 9 THR . 31085 1 3 10 GLY . 31085 1 4 11 THR . 31085 1 5 12 LEU . 31085 1 6 13 ILE . 31085 1 7 14 VAL . 31085 1 8 15 ASN . 31085 1 9 16 SER . 31085 1 10 17 VAL . 31085 1 11 18 LEU . 31085 1 12 19 LEU . 31085 1 13 20 PHE . 31085 1 14 21 LEU . 31085 1 15 22 ALA . 31085 1 16 23 PHE . 31085 1 17 24 VAL . 31085 1 18 25 VAL . 31085 1 19 26 PHE . 31085 1 20 27 LEU . 31085 1 21 28 LEU . 31085 1 22 29 VAL . 31085 1 23 30 THR . 31085 1 24 31 LEU . 31085 1 25 32 ALA . 31085 1 26 33 ILE . 31085 1 27 34 LEU . 31085 1 28 35 THR . 31085 1 29 36 ALA . 31085 1 30 37 LEU . 31085 1 31 38 ARG . 31085 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 . GLU 1 1 31085 1 . THR 2 2 31085 1 . GLY 3 3 31085 1 . THR 4 4 31085 1 . LEU 5 5 31085 1 . ILE 6 6 31085 1 . VAL 7 7 31085 1 . ASN 8 8 31085 1 . SER 9 9 31085 1 . VAL 10 10 31085 1 . LEU 11 11 31085 1 . LEU 12 12 31085 1 . PHE 13 13 31085 1 . LEU 14 14 31085 1 . ALA 15 15 31085 1 . PHE 16 16 31085 1 . VAL 17 17 31085 1 . VAL 18 18 31085 1 . PHE 19 19 31085 1 . LEU 20 20 31085 1 . LEU 21 21 31085 1 . VAL 22 22 31085 1 . THR 23 23 31085 1 . LEU 24 24 31085 1 . ALA 25 25 31085 1 . ILE 26 26 31085 1 . LEU 27 27 31085 1 . THR 28 28 31085 1 . ALA 29 29 31085 1 . LEU 30 30 31085 1 . ARG 31 31 31085 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 31085 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 Wuhan-Hu-1 . . . . . . . . . 'E, 4' . 31085 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 31085 _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 BL21(DE3)' . . 469008 . . . . . . . . 'Champion pET-SUMO' . . . 31085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31085 _Sample.ID 1 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details ; 15.5 % w/w [U-99% 13C; U-99% 15N] ETM, 23 % w/w POPC, 3.5 % w/w POPS, 10 % w/w POPE, 8 % w/w PI, 4 % w/w Cholesterol, 36 % w/w Water, 30 mM sodium acetate, 30 mM calcium chloride, 10 mM sodium chloride, 95% H2O/5% D2O ; _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 ETM '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 15.5 . . '% w/w' . . . . 31085 1 2 POPC 'natural abundance' . . . . . . 23 . . '% w/w' . . . . 31085 1 3 POPS 'natural abundance' . . . . . . 3.5 . . '% w/w' . . . . 31085 1 4 POPE 'natural abundance' . . . . . . 10 . . '% w/w' . . . . 31085 1 5 PI 'natural abundance' . . . . . . 8 . . '% w/w' . . . . 31085 1 6 Cholesterol 'natural abundance' . . . . . . 4 . . '% w/w' . . . . 31085 1 7 Water 'natural abundance' . . . . . . 36 . . '% w/w' . . . . 31085 1 8 'sodium acetate' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 1 9 'calcium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 1 10 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 31085 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31085 _Sample.ID 2 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details ; 7.5 % w/w [U-99% 15N; U-80% 2H] ETM, 8 % w/w [U-100% 13C] ETM, 23 % w/w POPC, 3.5 % w/w POPS, 10 % w/w POPE, 8 % w/w PI, 4 % w/w Cholesterol, 36 % w/w Water, 30 mM sodium acetate, 30 mM calcium chloride, 10 mM sodium chloride, 95% H2O/5% D2O ; _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 ETM '[U-99% 15N; U-80% 2H]' . . 1 $entity_1 . . 7.5 . . '% w/w' . . . . 31085 2 2 POPC 'natural abundance' . . . . . . 23 . . '% w/w' . . . . 31085 2 3 POPS 'natural abundance' . . . . . . 3.5 . . '% w/w' . . . . 31085 2 4 POPE 'natural abundance' . . . . . . 10 . . '% w/w' . . . . 31085 2 5 PI 'natural abundance' . . . . . . 8 . . '% w/w' . . . . 31085 2 6 Cholesterol 'natural abundance' . . . . . . 4 . . '% w/w' . . . . 31085 2 7 Water 'natural abundance' . . . . . . 36 . . '% w/w' . . . . 31085 2 8 'sodium acetate' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 2 9 'calcium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 2 10 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 31085 2 11 'ETM domain' '[U-100% 13C]' . . . . . . 8 . . '% w/w' . . . . 31085 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31085 _Sample.ID 3 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details ; 7.5 % w/w [U-100% 13C; U-100% 15N; U-80% 2H] ETM, 8 % w/w 4-19F-Phe20-ETM, 23 % w/w POPC, 11 % w/w POPS, 10 % w/w POPE, 4.5 % w/w Cholesterol, 36 % w/w Water, 30 mM sodium acetate, 30 mM calcium chloride, 10 mM sodium chloride, 95% H2O/5% D2O ; _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 ETM '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 7.5 . . '% w/w' . . . . 31085 3 2 POPC 'natural abundance' . . . . . . 23 . . '% w/w' . . . . 31085 3 3 POPS 'natural abundance' . . . . . . 11 . . '% w/w' . . . . 31085 3 4 POPE 'natural abundance' . . . . . . 10 . . '% w/w' . . . . 31085 3 5 Cholesterol 'natural abundance' . . . . . . 4.5 . . '% w/w' . . . . 31085 3 6 Water 'natural abundance' . . . . . . 36 . . '% w/w' . . . . 31085 3 7 'sodium acetate' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 3 8 'calcium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 3 9 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 31085 3 10 4-19F-Phe20-ETM 'natural abundance' . . . . . . 8 . . '% w/w' . . . . 31085 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 31085 _Sample.ID 4 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details ; 4.5 % w/w [U-99% 13C; U-99% 15N] ETM, 4 % w/w 4-19F-Phe20-ETM, 36.5 % w/w DMPC, 16 % w/w DMPG, 39 % w/w Water, 30 mM sodium acetate, 30 mM calcium chloride, 10 mM sodium chloride, 95% H2O/5% D2O ; _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 ETM '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 4.5 . . '% w/w' . . . . 31085 4 2 Water 'natural abundance' . . . . . . 39 . . '% w/w' . . . . 31085 4 3 'sodium acetate' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 4 4 'calcium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 4 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 31085 4 6 4-19F-Phe20-ETM 'natural abundance' . . . . . . 4 . . '% w/w' . . . . 31085 4 7 DMPC 'natural abundance' . . . . . . 36.5 . . '% w/w' . . . . 31085 4 8 DMPG 'natural abundance' . . . . . . 16 . . '% w/w' . . . . 31085 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 31085 _Sample.ID 5 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details ; 8.5 % w/w [U-99% 13C; U-99% 15N] ETM, 35 % w/w POPC, 15.5 % w/w POPG, 59 % w/w Water, 30 mM sodium acetate, 30 mM calcium chloride, 10 mM sodium chloride, 95% H2O/5% D2O ; _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 ETM '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 8.5 . . '% w/w' . . . . 31085 5 2 POPC 'natural abundance' . . . . . . 35 . . '% w/w' . . . . 31085 5 3 Water 'natural abundance' . . . . . . 59 . . '% w/w' . . . . 31085 5 4 'sodium acetate' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 5 5 'calcium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 31085 5 6 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 31085 5 7 POPG 'natural abundance' . . . . . . 15.5 . . '% w/w' . . . . 31085 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 31085 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 1 . M 31085 1 pH 4.5 . pH 31085 1 pressure 1 . atm 31085 1 temperature 283 2 K 31085 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31085 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 1 . M 31085 2 pH 4.5 . pH 31085 2 pressure 1 . atm 31085 2 temperature 273 2 K 31085 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 31085 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 1 . M 31085 3 pH 4.5 . pH 31085 3 pressure 1 . atm 31085 3 temperature 331 2 K 31085 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31085 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31085 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31085 1 'data analysis' . 31085 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31085 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31085 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31085 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31085 _Software.ID 3 _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' . . 31085 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31085 3 'structure calculation' . 31085 3 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 31085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31085 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 31085 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 31085 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE II' . 900 . . . 31085 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 31085 1 3 NMR_spectrometer_3 Bruker 'AVANCE NEO' . 600 . . . 31085 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 31085 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 15N-13C' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31085 1 2 '2D 13C-detected CORD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31085 1 3 '2D 1H-15N CP HETCOR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31085 1 4 '2D 15N-13C PSD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31085 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31085 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31085 1 7 '1D 19F 13C-detected REDOR' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31085 1 8 '2D 19F 1H-15N 1H-detected CP HETCOR' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31085 1 9 '3D NCa-filtered 13C-detected DIPSHIFT' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31085 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31085 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 adamantane 'methyl protons' . . . . ppm 38.48 external direct 1 . . . . . 31085 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1 . . . . . 31085 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.000 internal direct 1 . . . . . 31085 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 31085 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 15N-13C' . . . 31085 1 2 '2D 13C-detected CORD' . . . 31085 1 3 '2D 1H-15N CP HETCOR' . . . 31085 1 4 '2D 15N-13C PSD' . . . 31085 1 5 '3D HNCA' . . . 31085 1 6 '3D HN(CO)CA' . . . 31085 1 7 '1D 19F 13C-detected REDOR' . . . 31085 1 8 '2D 19F 1H-15N 1H-detected CP HETCOR' . . . 31085 1 9 '3D NCa-filtered 13C-detected DIPSHIFT' . . . 31085 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLU C C 13 170.80 0.25 . 1 . . . . A 8 GLU C . 31085 1 2 . 1 . 1 1 1 GLU CA C 13 53.80 0.25 . 1 . . . . A 8 GLU CA . 31085 1 3 . 1 . 1 1 1 GLU CB C 13 27.06 0.25 . 1 . . . . A 8 GLU CB . 31085 1 4 . 1 . 1 1 1 GLU CG C 13 33.60 0.25 . 1 . . . . A 8 GLU CG . 31085 1 5 . 1 . 1 1 1 GLU CD C 13 178.00 0.25 . 1 . . . . A 8 GLU CD . 31085 1 6 . 1 . 1 2 2 THR H H 1 8.86 0.03 . 1 . . . . A 9 THR H . 31085 1 7 . 1 . 1 2 2 THR CA C 13 61.50 0.25 . 1 . . . . A 9 THR CA . 31085 1 8 . 1 . 1 2 2 THR CB C 13 67.20 0.25 . 1 . . . . A 9 THR CB . 31085 1 9 . 1 . 1 2 2 THR N N 15 117.70 0.10 . 1 . . . . A 9 THR N . 31085 1 10 . 1 . 1 3 3 GLY H H 1 8.82 0.03 . 1 . . . . A 10 GLY H . 31085 1 11 . 1 . 1 3 3 GLY C C 13 172.50 0.25 . 1 . . . . A 10 GLY C . 31085 1 12 . 1 . 1 3 3 GLY CA C 13 44.80 0.25 . 1 . . . . A 10 GLY CA . 31085 1 13 . 1 . 1 3 3 GLY N N 15 111.40 0.10 . 1 . . . . A 10 GLY N . 31085 1 14 . 1 . 1 4 4 THR H H 1 8.19 0.03 . 1 . . . . A 11 THR H . 31085 1 15 . 1 . 1 4 4 THR C C 13 173.40 0.25 . 1 . . . . A 11 THR C . 31085 1 16 . 1 . 1 4 4 THR CA C 13 62.50 0.25 . 1 . . . . A 11 THR CA . 31085 1 17 . 1 . 1 4 4 THR CB C 13 66.50 0.25 . 1 . . . . A 11 THR CB . 31085 1 18 . 1 . 1 4 4 THR CG2 C 13 20.40 0.25 . 1 . . . . A 11 THR CG2 . 31085 1 19 . 1 . 1 4 4 THR N N 15 113.90 0.10 . 1 . . . . A 11 THR N . 31085 1 20 . 1 . 1 5 5 LEU CA C 13 55.70 0.25 . 1 . . . . A 12 LEU CA . 31085 1 21 . 1 . 1 5 5 LEU CB C 13 39.50 0.25 . 1 . . . . A 12 LEU CB . 31085 1 22 . 1 . 1 5 5 LEU CG C 13 25.00 0.25 . 1 . . . . A 12 LEU CG . 31085 1 23 . 1 . 1 5 5 LEU N N 15 121.90 0.10 . 1 . . . . A 12 LEU N . 31085 1 24 . 1 . 1 6 6 ILE H H 1 8.14 0.03 . 1 . . . . A 13 ILE H . 31085 1 25 . 1 . 1 6 6 ILE C C 13 175.10 0.25 . 1 . . . . A 13 ILE C . 31085 1 26 . 1 . 1 6 6 ILE CA C 13 62.10 0.25 . 1 . . . . A 13 ILE CA . 31085 1 27 . 1 . 1 6 6 ILE CB C 13 35.30 0.25 . 1 . . . . A 13 ILE CB . 31085 1 28 . 1 . 1 6 6 ILE CG1 C 13 27.10 0.25 . 1 . . . . A 13 ILE CG1 . 31085 1 29 . 1 . 1 6 6 ILE CG2 C 13 15.90 0.25 . 1 . . . . A 13 ILE CG2 . 31085 1 30 . 1 . 1 6 6 ILE CD1 C 13 10.90 0.25 . 1 . . . . A 13 ILE CD1 . 31085 1 31 . 1 . 1 6 6 ILE N N 15 120.40 0.10 . 1 . . . . A 13 ILE N . 31085 1 32 . 1 . 1 7 7 VAL H H 1 8.11 0.03 . 1 . . . . A 14 VAL H . 31085 1 33 . 1 . 1 7 7 VAL C C 13 174.70 0.25 . 1 . . . . A 14 VAL C . 31085 1 34 . 1 . 1 7 7 VAL CA C 13 64.90 0.25 . 1 . . . . A 14 VAL CA . 31085 1 35 . 1 . 1 7 7 VAL CB C 13 29.20 0.25 . 1 . . . . A 14 VAL CB . 31085 1 36 . 1 . 1 7 7 VAL CG1 C 13 21.30 0.25 . 1 . . . . A 14 VAL CG1 . 31085 1 37 . 1 . 1 7 7 VAL CG2 C 13 18.80 0.25 . 1 . . . . A 14 VAL CG2 . 31085 1 38 . 1 . 1 7 7 VAL N N 15 117.10 0.10 . 1 . . . . A 14 VAL N . 31085 1 39 . 1 . 1 8 8 ASN H H 1 8.11 0.03 . 1 . . . . A 15 ASN H . 31085 1 40 . 1 . 1 8 8 ASN HD21 H 1 7.50 0.03 . 1 . . . . A 15 ASN HD21 . 31085 1 41 . 1 . 1 8 8 ASN HD22 H 1 6.70 0.03 . 1 . . . . A 15 ASN HD22 . 31085 1 42 . 1 . 1 8 8 ASN C C 13 175.40 0.25 . 1 . . . . A 15 ASN C . 31085 1 43 . 1 . 1 8 8 ASN CA C 13 53.90 0.25 . 1 . . . . A 15 ASN CA . 31085 1 44 . 1 . 1 8 8 ASN CB C 13 35.40 0.25 . 1 . . . . A 15 ASN CB . 31085 1 45 . 1 . 1 8 8 ASN CG C 13 172.20 0.25 . 1 . . . . A 15 ASN CG . 31085 1 46 . 1 . 1 8 8 ASN N N 15 117.10 0.10 . 1 . . . . A 15 ASN N . 31085 1 47 . 1 . 1 8 8 ASN ND2 N 15 107.70 0.10 . 1 . . . . A 15 ASN ND2 . 31085 1 48 . 1 . 1 9 9 SER H H 1 8.25 0.03 . 1 . . . . A 16 SER H . 31085 1 49 . 1 . 1 9 9 SER C C 13 173.20 0.25 . 1 . . . . A 16 SER C . 31085 1 50 . 1 . 1 9 9 SER CA C 13 60.90 0.25 . 1 . . . . A 16 SER CA . 31085 1 51 . 1 . 1 9 9 SER CB C 13 61.00 0.25 . 1 . . . . A 16 SER CB . 31085 1 52 . 1 . 1 9 9 SER N N 15 116.40 0.10 . 1 . . . . A 16 SER N . 31085 1 53 . 1 . 1 10 10 VAL H H 1 8.13 0.03 . 1 . . . . A 17 VAL H . 31085 1 54 . 1 . 1 10 10 VAL C C 13 175.40 0.25 . 1 . . . . A 17 VAL C . 31085 1 55 . 1 . 1 10 10 VAL CA C 13 64.70 0.25 . 1 . . . . A 17 VAL CA . 31085 1 56 . 1 . 1 10 10 VAL CB C 13 29.20 0.25 . 1 . . . . A 17 VAL CB . 31085 1 57 . 1 . 1 10 10 VAL CG1 C 13 21.30 0.25 . 1 . . . . A 17 VAL CG1 . 31085 1 58 . 1 . 1 10 10 VAL CG2 C 13 19.40 0.25 . 1 . . . . A 17 VAL CG2 . 31085 1 59 . 1 . 1 10 10 VAL N N 15 121.00 0.10 . 1 . . . . A 17 VAL N . 31085 1 60 . 1 . 1 11 11 LEU H H 1 8.51 0.03 . 1 . . . . A 18 LEU H . 31085 1 61 . 1 . 1 11 11 LEU C C 13 176.70 0.25 . 1 . . . . A 18 LEU C . 31085 1 62 . 1 . 1 11 11 LEU CA C 13 55.60 0.25 . 1 . . . . A 18 LEU CA . 31085 1 63 . 1 . 1 11 11 LEU CB C 13 39.00 0.25 . 1 . . . . A 18 LEU CB . 31085 1 64 . 1 . 1 11 11 LEU CG C 13 24.70 0.25 . 1 . . . . A 18 LEU CG . 31085 1 65 . 1 . 1 11 11 LEU CD1 C 13 23.40 0.25 . 1 . . . . A 18 LEU CD1 . 31085 1 66 . 1 . 1 11 11 LEU CD2 C 13 18.30 0.25 . 1 . . . . A 18 LEU CD2 . 31085 1 67 . 1 . 1 11 11 LEU N N 15 118.70 0.10 . 1 . . . . A 18 LEU N . 31085 1 68 . 1 . 1 12 12 LEU H H 1 8.48 0.03 . 1 . . . . A 19 LEU H . 31085 1 69 . 1 . 1 12 12 LEU C C 13 176.00 0.25 . 1 . . . . A 19 LEU C . 31085 1 70 . 1 . 1 12 12 LEU CA C 13 56.10 0.25 . 1 . . . . A 19 LEU CA . 31085 1 71 . 1 . 1 12 12 LEU CB C 13 39.90 0.25 . 1 . . . . A 19 LEU CB . 31085 1 72 . 1 . 1 12 12 LEU CG C 13 24.90 0.25 . 1 . . . . A 19 LEU CG . 31085 1 73 . 1 . 1 12 12 LEU N N 15 120.20 0.10 . 1 . . . . A 19 LEU N . 31085 1 74 . 1 . 1 13 13 PHE H H 1 8.26 0.03 . 1 . . . . A 20 PHE H . 31085 1 75 . 1 . 1 13 13 PHE C C 13 174.50 0.25 . 1 . . . . A 20 PHE C . 31085 1 76 . 1 . 1 13 13 PHE CA C 13 59.50 0.25 . 1 . . . . A 20 PHE CA . 31085 1 77 . 1 . 1 13 13 PHE CB C 13 37.40 0.25 . 1 . . . . A 20 PHE CB . 31085 1 78 . 1 . 1 13 13 PHE CG C 13 136.80 0.25 . 1 . . . . A 20 PHE CG . 31085 1 79 . 1 . 1 13 13 PHE CD1 C 13 129.30 0.25 . 1 . . . . A 20 PHE CD1 . 31085 1 80 . 1 . 1 13 13 PHE CE1 C 13 128.30 0.25 . 1 . . . . A 20 PHE CE1 . 31085 1 81 . 1 . 1 13 13 PHE N N 15 118.70 0.10 . 1 . . . . A 20 PHE N . 31085 1 82 . 1 . 1 14 14 LEU H H 1 9.07 0.03 . 1 . . . . A 21 LEU H . 31085 1 83 . 1 . 1 14 14 LEU C C 13 176.60 0.25 . 1 . . . . A 21 LEU C . 31085 1 84 . 1 . 1 14 14 LEU CA C 13 55.50 0.25 . 1 . . . . A 21 LEU CA . 31085 1 85 . 1 . 1 14 14 LEU CB C 13 40.80 0.25 . 1 . . . . A 21 LEU CB . 31085 1 86 . 1 . 1 14 14 LEU CG C 13 24.90 0.25 . 1 . . . . A 21 LEU CG . 31085 1 87 . 1 . 1 14 14 LEU CD1 C 13 23.60 0.25 . 1 . . . . A 21 LEU CD1 . 31085 1 88 . 1 . 1 14 14 LEU CD2 C 13 20.20 0.25 . 1 . . . . A 21 LEU CD2 . 31085 1 89 . 1 . 1 14 14 LEU N N 15 118.60 0.10 . 1 . . . . A 21 LEU N . 31085 1 90 . 1 . 1 15 15 ALA H H 1 9.33 0.03 . 1 . . . . A 22 ALA H . 31085 1 91 . 1 . 1 15 15 ALA C C 13 176.50 0.25 . 1 . . . . A 22 ALA C . 31085 1 92 . 1 . 1 15 15 ALA CA C 13 53.90 0.25 . 1 . . . . A 22 ALA CA . 31085 1 93 . 1 . 1 15 15 ALA CB C 13 16.50 0.25 . 1 . . . . A 22 ALA CB . 31085 1 94 . 1 . 1 15 15 ALA N N 15 123.40 0.10 . 1 . . . . A 22 ALA N . 31085 1 95 . 1 . 1 16 16 PHE H H 1 8.33 0.03 . 1 . . . . A 23 PHE H . 31085 1 96 . 1 . 1 16 16 PHE C C 13 174.30 0.25 . 1 . . . . A 23 PHE C . 31085 1 97 . 1 . 1 16 16 PHE CA C 13 59.40 0.25 . 1 . . . . A 23 PHE CA . 31085 1 98 . 1 . 1 16 16 PHE CB C 13 37.30 0.25 . 1 . . . . A 23 PHE CB . 31085 1 99 . 1 . 1 16 16 PHE CG C 13 137.20 0.25 . 1 . . . . A 23 PHE CG . 31085 1 100 . 1 . 1 16 16 PHE CD1 C 13 129.30 0.25 . 1 . . . . A 23 PHE CD1 . 31085 1 101 . 1 . 1 16 16 PHE CE1 C 13 127.30 0.25 . 1 . . . . A 23 PHE CE1 . 31085 1 102 . 1 . 1 16 16 PHE N N 15 118.80 0.10 . 1 . . . . A 23 PHE N . 31085 1 103 . 1 . 1 17 17 VAL H H 1 8.56 0.03 . 1 . . . . A 24 VAL H . 31085 1 104 . 1 . 1 17 17 VAL C C 13 175.70 0.25 . 1 . . . . A 24 VAL C . 31085 1 105 . 1 . 1 17 17 VAL CA C 13 65.40 0.25 . 1 . . . . A 24 VAL CA . 31085 1 106 . 1 . 1 17 17 VAL CB C 13 29.70 0.25 . 1 . . . . A 24 VAL CB . 31085 1 107 . 1 . 1 17 17 VAL CG1 C 13 21.00 0.25 . 1 . . . . A 24 VAL CG1 . 31085 1 108 . 1 . 1 17 17 VAL CG2 C 13 18.80 0.25 . 1 . . . . A 24 VAL CG2 . 31085 1 109 . 1 . 1 17 17 VAL N N 15 118.00 0.10 . 1 . . . . A 24 VAL N . 31085 1 110 . 1 . 1 18 18 VAL H H 1 9.36 0.03 . 1 . . . . A 25 VAL H . 31085 1 111 . 1 . 1 18 18 VAL C C 13 174.80 0.25 . 1 . . . . A 25 VAL C . 31085 1 112 . 1 . 1 18 18 VAL CA C 13 65.60 0.25 . 1 . . . . A 25 VAL CA . 31085 1 113 . 1 . 1 18 18 VAL CB C 13 29.10 0.25 . 1 . . . . A 25 VAL CB . 31085 1 114 . 1 . 1 18 18 VAL CG1 C 13 21.10 0.25 . 1 . . . . A 25 VAL CG1 . 31085 1 115 . 1 . 1 18 18 VAL CG2 C 13 19.50 0.25 . 1 . . . . A 25 VAL CG2 . 31085 1 116 . 1 . 1 18 18 VAL N N 15 118.80 0.10 . 1 . . . . A 25 VAL N . 31085 1 117 . 1 . 1 19 19 PHE H H 1 8.79 0.03 . 1 . . . . A 26 PHE H . 31085 1 118 . 1 . 1 19 19 PHE C C 13 175.70 0.25 . 1 . . . . A 26 PHE C . 31085 1 119 . 1 . 1 19 19 PHE CA C 13 60.20 0.25 . 1 . . . . A 26 PHE CA . 31085 1 120 . 1 . 1 19 19 PHE CB C 13 37.00 0.25 . 1 . . . . A 26 PHE CB . 31085 1 121 . 1 . 1 19 19 PHE CG C 13 137.00 0.25 . 1 . . . . A 26 PHE CG . 31085 1 122 . 1 . 1 19 19 PHE CD1 C 13 129.30 0.25 . 1 . . . . A 26 PHE CD1 . 31085 1 123 . 1 . 1 19 19 PHE CE1 C 13 128.10 0.25 . 1 . . . . A 26 PHE CE1 . 31085 1 124 . 1 . 1 19 19 PHE N N 15 119.60 0.10 . 1 . . . . A 26 PHE N . 31085 1 125 . 1 . 1 20 20 LEU H H 1 8.17 0.03 . 1 . . . . A 27 LEU H . 31085 1 126 . 1 . 1 20 20 LEU C C 13 175.90 0.25 . 1 . . . . A 27 LEU C . 31085 1 127 . 1 . 1 20 20 LEU CA C 13 55.60 0.25 . 1 . . . . A 27 LEU CA . 31085 1 128 . 1 . 1 20 20 LEU CB C 13 39.80 0.25 . 1 . . . . A 27 LEU CB . 31085 1 129 . 1 . 1 20 20 LEU CG C 13 25.50 0.25 . 1 . . . . A 27 LEU CG . 31085 1 130 . 1 . 1 20 20 LEU CD1 C 13 23.80 0.25 . 1 . . . . A 27 LEU CD1 . 31085 1 131 . 1 . 1 20 20 LEU CD2 C 13 18.60 0.25 . 1 . . . . A 27 LEU CD2 . 31085 1 132 . 1 . 1 20 20 LEU N N 15 120.60 0.10 . 1 . . . . A 27 LEU N . 31085 1 133 . 1 . 1 21 21 LEU H H 1 8.41 0.03 . 1 . . . . A 28 LEU H . 31085 1 134 . 1 . 1 21 21 LEU C C 13 176.60 0.25 . 1 . . . . A 28 LEU C . 31085 1 135 . 1 . 1 21 21 LEU CA C 13 55.50 0.25 . 1 . . . . A 28 LEU CA . 31085 1 136 . 1 . 1 21 21 LEU CB C 13 39.10 0.25 . 1 . . . . A 28 LEU CB . 31085 1 137 . 1 . 1 21 21 LEU CG C 13 23.50 0.25 . 1 . . . . A 28 LEU CG . 31085 1 138 . 1 . 1 21 21 LEU CD1 C 13 23.40 0.25 . 1 . . . . A 28 LEU CD1 . 31085 1 139 . 1 . 1 21 21 LEU CD2 C 13 18.80 0.25 . 1 . . . . A 28 LEU CD2 . 31085 1 140 . 1 . 1 21 21 LEU N N 15 118.70 0.10 . 1 . . . . A 28 LEU N . 31085 1 141 . 1 . 1 22 22 VAL H H 1 8.95 0.03 . 1 . . . . A 29 VAL H . 31085 1 142 . 1 . 1 22 22 VAL C C 13 175.00 0.25 . 1 . . . . A 29 VAL C . 31085 1 143 . 1 . 1 22 22 VAL CA C 13 64.30 0.25 . 1 . . . . A 29 VAL CA . 31085 1 144 . 1 . 1 22 22 VAL CB C 13 28.70 0.25 . 1 . . . . A 29 VAL CB . 31085 1 145 . 1 . 1 22 22 VAL CG1 C 13 22.20 0.25 . 1 . . . . A 29 VAL CG1 . 31085 1 146 . 1 . 1 22 22 VAL CG2 C 13 19.40 0.25 . 1 . . . . A 29 VAL CG2 . 31085 1 147 . 1 . 1 22 22 VAL N N 15 119.50 0.10 . 1 . . . . A 29 VAL N . 31085 1 148 . 1 . 1 23 23 THR H H 1 7.71 0.03 . 1 . . . . A 30 THR H . 31085 1 149 . 1 . 1 23 23 THR C C 13 173.50 0.25 . 1 . . . . A 30 THR C . 31085 1 150 . 1 . 1 23 23 THR CA C 13 66.90 0.25 . 1 . . . . A 30 THR CA . 31085 1 151 . 1 . 1 23 23 THR CB C 13 64.40 0.25 . 1 . . . . A 30 THR CB . 31085 1 152 . 1 . 1 23 23 THR CG2 C 13 18.20 0.25 . 1 . . . . A 30 THR CG2 . 31085 1 153 . 1 . 1 23 23 THR N N 15 119.10 0.10 . 1 . . . . A 30 THR N . 31085 1 154 . 1 . 1 24 24 LEU H H 1 7.91 0.03 . 1 . . . . A 31 LEU H . 31085 1 155 . 1 . 1 24 24 LEU C C 13 176.10 0.25 . 1 . . . . A 31 LEU C . 31085 1 156 . 1 . 1 24 24 LEU CA C 13 56.50 0.25 . 1 . . . . A 31 LEU CA . 31085 1 157 . 1 . 1 24 24 LEU CB C 13 39.50 0.25 . 1 . . . . A 31 LEU CB . 31085 1 158 . 1 . 1 24 24 LEU CG C 13 25.30 0.25 . 1 . . . . A 31 LEU CG . 31085 1 159 . 1 . 1 24 24 LEU CD1 C 13 25.20 0.25 . 1 . . . . A 31 LEU CD1 . 31085 1 160 . 1 . 1 24 24 LEU CD2 C 13 22.30 0.25 . 1 . . . . A 31 LEU CD2 . 31085 1 161 . 1 . 1 24 24 LEU N N 15 121.60 0.10 . 1 . . . . A 31 LEU N . 31085 1 162 . 1 . 1 25 25 ALA H H 1 8.40 0.03 . 1 . . . . A 32 ALA H . 31085 1 163 . 1 . 1 25 25 ALA C C 13 177.00 0.25 . 1 . . . . A 32 ALA C . 31085 1 164 . 1 . 1 25 25 ALA CA C 13 53.50 0.25 . 1 . . . . A 32 ALA CA . 31085 1 165 . 1 . 1 25 25 ALA CB C 13 16.50 0.25 . 1 . . . . A 32 ALA CB . 31085 1 166 . 1 . 1 25 25 ALA N N 15 123.60 0.10 . 1 . . . . A 32 ALA N . 31085 1 167 . 1 . 1 26 26 ILE H H 1 8.59 0.03 . 1 . . . . A 33 ILE H . 31085 1 168 . 1 . 1 26 26 ILE C C 13 175.00 0.25 . 1 . . . . A 33 ILE C . 31085 1 169 . 1 . 1 26 26 ILE CA C 13 63.60 0.25 . 1 . . . . A 33 ILE CA . 31085 1 170 . 1 . 1 26 26 ILE CB C 13 36.10 0.25 . 1 . . . . A 33 ILE CB . 31085 1 171 . 1 . 1 26 26 ILE CG1 C 13 28.90 0.25 . 1 . . . . A 33 ILE CG1 . 31085 1 172 . 1 . 1 26 26 ILE CG2 C 13 17.10 0.25 . 1 . . . . A 33 ILE CG2 . 31085 1 173 . 1 . 1 26 26 ILE CD1 C 13 12.20 0.25 . 1 . . . . A 33 ILE CD1 . 31085 1 174 . 1 . 1 26 26 ILE N N 15 117.50 0.10 . 1 . . . . A 33 ILE N . 31085 1 175 . 1 . 1 27 27 LEU H H 1 8.41 0.03 . 1 . . . . A 34 LEU H . 31085 1 176 . 1 . 1 27 27 LEU C C 13 176.50 0.25 . 1 . . . . A 34 LEU C . 31085 1 177 . 1 . 1 27 27 LEU CA C 13 55.90 0.25 . 1 . . . . A 34 LEU CA . 31085 1 178 . 1 . 1 27 27 LEU CB C 13 38.80 0.25 . 1 . . . . A 34 LEU CB . 31085 1 179 . 1 . 1 27 27 LEU CG C 13 25.60 0.25 . 1 . . . . A 34 LEU CG . 31085 1 180 . 1 . 1 27 27 LEU CD1 C 13 25.50 0.25 . 1 . . . . A 34 LEU CD1 . 31085 1 181 . 1 . 1 27 27 LEU CD2 C 13 21.50 0.25 . 1 . . . . A 34 LEU CD2 . 31085 1 182 . 1 . 1 27 27 LEU N N 15 116.70 0.10 . 1 . . . . A 34 LEU N . 31085 1 183 . 1 . 1 28 28 THR H H 1 7.69 0.03 . 1 . . . . A 35 THR H . 31085 1 184 . 1 . 1 28 28 THR C C 13 173.60 0.25 . 1 . . . . A 35 THR C . 31085 1 185 . 1 . 1 28 28 THR CA C 13 60.90 0.25 . 1 . . . . A 35 THR CA . 31085 1 186 . 1 . 1 28 28 THR CB C 13 67.40 0.25 . 1 . . . . A 35 THR CB . 31085 1 187 . 1 . 1 28 28 THR CG2 C 13 19.80 0.25 . 1 . . . . A 35 THR CG2 . 31085 1 188 . 1 . 1 28 28 THR N N 15 102.60 0.10 . 1 . . . . A 35 THR N . 31085 1 189 . 1 . 1 29 29 ALA H H 1 7.41 0.03 . 1 . . . . A 36 ALA H . 31085 1 190 . 1 . 1 29 29 ALA C C 13 177.00 0.25 . 1 . . . . A 36 ALA C . 31085 1 191 . 1 . 1 29 29 ALA CA C 13 51.60 0.25 . 1 . . . . A 36 ALA CA . 31085 1 192 . 1 . 1 29 29 ALA CB C 13 17.60 0.25 . 1 . . . . A 36 ALA CB . 31085 1 193 . 1 . 1 29 29 ALA N N 15 123.10 0.10 . 1 . . . . A 36 ALA N . 31085 1 194 . 1 . 1 30 30 LEU H H 1 7.31 0.03 . 1 . . . . A 37 LEU H . 31085 1 195 . 1 . 1 30 30 LEU C C 13 171.00 0.25 . 1 . . . . A 37 LEU C . 31085 1 196 . 1 . 1 30 30 LEU CA C 13 51.30 0.25 . 1 . . . . A 37 LEU CA . 31085 1 197 . 1 . 1 30 30 LEU CB C 13 36.60 0.25 . 1 . . . . A 37 LEU CB . 31085 1 198 . 1 . 1 30 30 LEU CG C 13 24.40 0.25 . 1 . . . . A 37 LEU CG . 31085 1 199 . 1 . 1 30 30 LEU CD1 C 13 23.30 0.25 . 1 . . . . A 37 LEU CD1 . 31085 1 200 . 1 . 1 30 30 LEU CD2 C 13 19.90 0.25 . 1 . . . . A 37 LEU CD2 . 31085 1 201 . 1 . 1 30 30 LEU N N 15 118.70 0.10 . 1 . . . . A 37 LEU N . 31085 1 202 . 1 . 1 31 31 ARG H H 1 7.10 0.03 . 1 . . . . A 38 ARG H . 31085 1 203 . 1 . 1 31 31 ARG HE H 1 7.20 0.03 . 1 . . . . A 38 ARG HE . 31085 1 204 . 1 . 1 31 31 ARG CA C 13 51.50 0.25 . 1 . . . . A 38 ARG CA . 31085 1 205 . 1 . 1 31 31 ARG CB C 13 27.90 0.25 . 1 . . . . A 38 ARG CB . 31085 1 206 . 1 . 1 31 31 ARG CG C 13 23.50 0.25 . 1 . . . . A 38 ARG CG . 31085 1 207 . 1 . 1 31 31 ARG CD C 13 39.60 0.25 . 1 . . . . A 38 ARG CD . 31085 1 208 . 1 . 1 31 31 ARG CZ C 13 157.30 0.25 . 1 . . . . A 38 ARG CZ . 31085 1 209 . 1 . 1 31 31 ARG N N 15 124.00 0.10 . 1 . . . . A 38 ARG N . 31085 1 210 . 1 . 1 31 31 ARG NE N 15 85.80 0.10 . 1 . . . . A 38 ARG NE . 31085 1 211 . 1 . 1 31 31 ARG NH1 N 15 70.00 0.10 . 1 . . . . A 38 ARG NH1 . 31085 1 212 . 1 . 1 31 31 ARG NH2 N 15 75.80 0.10 . 1 . . . . A 38 ARG NH2 . 31085 1 stop_ save_