data_17928 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17928 _Entry.Title ; Structure of the influenza AM2-BM2 chimeric channel ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-10 _Entry.Accession_date 2011-09-10 _Entry.Last_release_date 2011-12-05 _Entry.Original_release_date 2011-12-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Rafal Pielak . M. . 17928 2 Kirill Oxenoid . . . 17928 3 James Chou . J. . 17928 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, Protein Structure Initiative' 'Membrane Protein Structures by NMR (MPSbyNMR)' . 17928 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AM2-BM2 chimera' . 17928 influenza . 17928 'M2 channel' . 17928 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17928 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 26 17928 '15N chemical shifts' 26 17928 '1H chemical shifts' 26 17928 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 . . 2011-12-05 2011-09-10 original author . 17928 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17929 'Influenza AM2-BM2 chimeric channel bound to rimantadine' 17928 PDB 2KIH 'S31N mutant' 17928 PDB 2KIX 'BM2 channel structure' 17928 PDB 2KWX 'V27A mutant' 17928 PDB 2LJB 'BMRB Entry Tracking System' 17928 PDB 2RLF 'AM2 channel structure' 17928 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17928 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22078564 _Citation.Full_citation . _Citation.Title 'Structural investigation of rimantadine inhibition of the AM2-BM2 chimera channel of influenza viruses' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 11 _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 1655 _Citation.Page_last 1663 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Rafal Pielak . M. . 17928 1 2 Kirill Oxenoid . . . 17928 1 3 James Chou . J. . 17928 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17928 _Assembly.ID 1 _Assembly.Name AM2-BM2 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 AM2-BM2_1 1 $AM2-BM2 A . yes native no no . . . 17928 1 2 AM2-BM2_2 1 $AM2-BM2 B . yes native no no . . . 17928 1 3 AM2-BM2_3 1 $AM2-BM2 C . yes native no no . . . 17928 1 4 AM2-BM2_4 1 $AM2-BM2 D . yes native no no . . . 17928 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AM2-BM2 _Entity.Sf_category entity _Entity.Sf_framecode AM2-BM2 _Entity.Entry_ID 17928 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name influenza_AM2-BM2_chimeric_channel _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RSNDSSDPLVVAASIIGILH FIAWTIGHLNQIKRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 18, R 19, S 23, S 24, D 25, P ; _Entity.Polymer_author_seq_details ; residues 18-37 from M2 of influenza A residues 38-52 correspond to residues 20-34 from BM2 of influenza B ; _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 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'M2 protein of influenza A and B viruses' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3244.864 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no BMRB 17929 . AM2-BM2 . . . . . 100.00 35 100.00 100.00 5.25e-15 . . . . 17928 1 2 no PDB 2LJB . "Structure Of The Influenza Am2-Bm2 Chimeric Channel" . . . . . 100.00 35 100.00 100.00 5.25e-15 . . . . 17928 1 3 no PDB 2LJC . "Structure Of The Influenza Am2-Bm2 Chimeric Channel Bound To Rimantadine" . . . . . 100.00 35 100.00 100.00 5.25e-15 . . . . 17928 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 18 ARG . 17928 1 2 19 SER . 17928 1 3 20 ASN . 17928 1 4 21 ASP . 17928 1 5 22 SER . 17928 1 6 23 SER . 17928 1 7 24 ASP . 17928 1 8 25 PRO . 17928 1 9 26 LEU . 17928 1 10 27 VAL . 17928 1 11 28 VAL . 17928 1 12 29 ALA . 17928 1 13 30 ALA . 17928 1 14 31 SER . 17928 1 15 32 ILE . 17928 1 16 33 ILE . 17928 1 17 34 GLY . 17928 1 18 35 ILE . 17928 1 19 36 LEU . 17928 1 20 37 HIS . 17928 1 21 38 PHE . 17928 1 22 39 ILE . 17928 1 23 40 ALA . 17928 1 24 41 TRP . 17928 1 25 42 THR . 17928 1 26 43 ILE . 17928 1 27 44 GLY . 17928 1 28 45 HIS . 17928 1 29 46 LEU . 17928 1 30 47 ASN . 17928 1 31 48 GLN . 17928 1 32 49 ILE . 17928 1 33 50 LYS . 17928 1 34 51 ARG . 17928 1 35 52 GLY . 17928 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 . ARG 1 1 17928 1 . SER 2 2 17928 1 . ASN 3 3 17928 1 . ASP 4 4 17928 1 . SER 5 5 17928 1 . SER 6 6 17928 1 . ASP 7 7 17928 1 . PRO 8 8 17928 1 . LEU 9 9 17928 1 . VAL 10 10 17928 1 . VAL 11 11 17928 1 . ALA 12 12 17928 1 . ALA 13 13 17928 1 . SER 14 14 17928 1 . ILE 15 15 17928 1 . ILE 16 16 17928 1 . GLY 17 17 17928 1 . ILE 18 18 17928 1 . LEU 19 19 17928 1 . HIS 20 20 17928 1 . PHE 21 21 17928 1 . ILE 22 22 17928 1 . ALA 23 23 17928 1 . TRP 24 24 17928 1 . THR 25 25 17928 1 . ILE 26 26 17928 1 . GLY 27 27 17928 1 . HIS 28 28 17928 1 . LEU 29 29 17928 1 . ASN 30 30 17928 1 . GLN 31 31 17928 1 . ILE 32 32 17928 1 . LYS 33 33 17928 1 . ARG 34 34 17928 1 . GLY 35 35 17928 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 17928 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AM2-BM2 . 197911 virus . influenza 'Influenzavirus A and B' . . Viruses . 'Influenzavirus A and B' . . 'influenza A and B' . . . . . . . . . . . . . . . . . . . 17928 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 17928 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AM2-BM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . trpLE-fusion . . . . . . 17928 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17928 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'triple labeled for assignment' _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 AM2-BM2 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $AM2-BM2 . . 1.2 . . mM . . . . 17928 1 2 DHPC 'natural abundance' . . . . . . 300 . . mM . . . . 17928 1 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 17928 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17928 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17928 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17928 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double labeled for NOESY spectra' _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 'influenza AM2-BM2 chimeric channel' '[U-100% 13C; U-100% 15N]' . . 1 $AM2-BM2 . . 1.4 . . mM . . . . 17928 2 2 DHPC 'natural abundance' . . . . . . 300 . . mM . . . . 17928 2 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 17928 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17928 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17928 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17928 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'isotopically mixed sample for inter-monomer NOEs' _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 'influenza AM2-BM2 chimeric channel' '[U-100% 15N; U-99% 2H]' . . 1 $AM2-BM2 . . 0.8 . . mM . . . . 17928 3 2 'influenza AM2-BM2 chimeric channel' '[U-15% 13C]' . . . . . . 0.8 . . mM . . . . 17928 3 3 DHPC 'natural abundance' . . . . . . 300 . . mM . . . . 17928 3 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 17928 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17928 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17928 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17928 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aligned sample for RDC measurement' _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 'influenza AM2-BM2 chimeric channel' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $AM2-BM2 . . 0.5 . . mM . . . . 17928 4 2 DHPC 'natural abundance' . . . . . . 300 . . mM . . . . 17928 4 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 17928 4 4 'DNA nanotube' 'natural abundance' . . . . . . 5.4 . . mg . . . . 17928 4 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17928 4 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17928 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17928 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15% 13C labeled protein for stereospecific assignment of methyl groups' _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 'influenza AM2-BM2 chimeric channel' '[U-15% 13C]' . . 1 $AM2-BM2 . . 1.5 . . mM . . . . 17928 5 2 DHPC 'natural abundance' . . . . . . 300 . . mM . . . . 17928 5 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 17928 5 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17928 5 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17928 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 17928 _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' 100 . mM 17928 1 pH 7.5 . pH 17928 1 pressure 1 . atm 17928 1 temperature 303 . K 17928 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17928 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17928 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17928 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17928 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17928 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17928 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17928 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17928 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17928 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17928 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17928 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17928 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17928 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17928 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17928 5 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 17928 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 17928 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17928 _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 DMX . 600 . . . 17928 1 2 spectrometer_2 Bruker Avance . 800 . . . 17928 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 17928 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17928 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17928 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 8 '2D 1H-13C HSQC (28m CT)' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 9 'Interleaved HSQC-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 10 'Interleaved HSQC-TROSY' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17928 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 17928 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . . . . . 17928 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 17928 1 N 15 urea nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 17928 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 17928 _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 $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17928 1 3 '3D HNCA' . . . 17928 1 4 '3D 1H-15N NOESY' . . . 17928 1 7 '3D 1H-15N NOESY' . . . 17928 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.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 7 7 ASP H H 1 8.265 0.25 . 1 . . . A 24 ASP H . 17928 1 2 . 1 1 7 7 ASP CA C 13 52.959 0.25 . 1 . . . A 24 ASP CA . 17928 1 3 . 1 1 7 7 ASP N N 15 125.504 0.25 . 1 . . . A 24 ASP N . 17928 1 4 . 1 1 9 9 LEU H H 1 8.246 0.25 . 1 . . . A 26 LEU H . 17928 1 5 . 1 1 9 9 LEU CA C 13 58.074 0.25 . 1 . . . A 26 LEU CA . 17928 1 6 . 1 1 9 9 LEU N N 15 118.379 0.25 . 1 . . . A 26 LEU N . 17928 1 7 . 1 1 10 10 VAL H H 1 7.46 0.25 . 1 . . . A 27 VAL H . 17928 1 8 . 1 1 10 10 VAL CA C 13 66.481 0.25 . 1 . . . A 27 VAL CA . 17928 1 9 . 1 1 10 10 VAL N N 15 120.561 0.25 . 1 . . . A 27 VAL N . 17928 1 10 . 1 1 11 11 VAL H H 1 7.978 0.25 . 1 . . . A 28 VAL H . 17928 1 11 . 1 1 11 11 VAL CA C 13 67.192 0.25 . 1 . . . A 28 VAL CA . 17928 1 12 . 1 1 11 11 VAL N N 15 122.487 0.25 . 1 . . . A 28 VAL N . 17928 1 13 . 1 1 12 12 ALA H H 1 8.329 0.25 . 1 . . . A 29 ALA H . 17928 1 14 . 1 1 12 12 ALA CA C 13 55.864 0.25 . 1 . . . A 29 ALA CA . 17928 1 15 . 1 1 12 12 ALA N N 15 121.46 0.25 . 1 . . . A 29 ALA N . 17928 1 16 . 1 1 13 13 ALA H H 1 8.362 0.25 . 1 . . . A 30 ALA H . 17928 1 17 . 1 1 13 13 ALA CA C 13 55.585 0.25 . 1 . . . A 30 ALA CA . 17928 1 18 . 1 1 13 13 ALA N N 15 118.764 0.25 . 1 . . . A 30 ALA N . 17928 1 19 . 1 1 14 14 SER H H 1 8.081 0.25 . 1 . . . A 31 SER H . 17928 1 20 . 1 1 14 14 SER CA C 13 63.128 0.25 . 1 . . . A 31 SER CA . 17928 1 21 . 1 1 14 14 SER N N 15 114.848 0.25 . 1 . . . A 31 SER N . 17928 1 22 . 1 1 15 15 ILE H H 1 8.019 0.25 . 1 . . . A 32 ILE H . 17928 1 23 . 1 1 15 15 ILE CA C 13 65.406 0.25 . 1 . . . A 32 ILE CA . 17928 1 24 . 1 1 15 15 ILE N N 15 122.166 0.25 . 1 . . . A 32 ILE N . 17928 1 25 . 1 1 16 16 ILE H H 1 8.157 0.25 . 1 . . . A 33 ILE H . 17928 1 26 . 1 1 16 16 ILE CA C 13 65.516 0.25 . 1 . . . A 33 ILE CA . 17928 1 27 . 1 1 16 16 ILE N N 15 119.855 0.25 . 1 . . . A 33 ILE N . 17928 1 28 . 1 1 17 17 GLY H H 1 8.605 0.25 . 1 . . . A 34 GLY H . 17928 1 29 . 1 1 17 17 GLY CA C 13 47.884 0.25 . 1 . . . A 34 GLY CA . 17928 1 30 . 1 1 17 17 GLY N N 15 124.669 0.25 . 1 . . . A 34 GLY N . 17928 1 31 . 1 1 18 18 ILE H H 1 8.35 0.25 . 1 . . . A 35 ILE H . 17928 1 32 . 1 1 18 18 ILE CA C 13 65.381 0.25 . 1 . . . A 35 ILE CA . 17928 1 33 . 1 1 18 18 ILE N N 15 122.487 0.25 . 1 . . . A 35 ILE N . 17928 1 34 . 1 1 19 19 LEU H H 1 8.327 0.25 . 1 . . . A 36 LEU H . 17928 1 35 . 1 1 19 19 LEU CA C 13 58.734 0.25 . 1 . . . A 36 LEU CA . 17928 1 36 . 1 1 19 19 LEU N N 15 120.69 0.25 . 1 . . . A 36 LEU N . 17928 1 37 . 1 1 20 20 HIS H H 1 8.432 0.25 . 1 . . . A 37 HIS H . 17928 1 38 . 1 1 20 20 HIS CA C 13 60.995 0.25 . 1 . . . A 37 HIS CA . 17928 1 39 . 1 1 20 20 HIS N N 15 118.892 0.25 . 1 . . . A 37 HIS N . 17928 1 40 . 1 1 21 21 PHE H H 1 8.415 0.25 . 1 . . . A 38 PHE H . 17928 1 41 . 1 1 21 21 PHE CA C 13 61.655 0.25 . 1 . . . A 38 PHE CA . 17928 1 42 . 1 1 21 21 PHE N N 15 120.754 0.25 . 1 . . . A 38 PHE N . 17928 1 43 . 1 1 22 22 ILE H H 1 8.747 0.25 . 1 . . . A 39 ILE H . 17928 1 44 . 1 1 22 22 ILE CA C 13 65.947 0.25 . 1 . . . A 39 ILE CA . 17928 1 45 . 1 1 22 22 ILE N N 15 122.487 0.25 . 1 . . . A 39 ILE N . 17928 1 46 . 1 1 23 23 ALA H H 1 8.346 0.25 . 1 . . . A 40 ALA H . 17928 1 47 . 1 1 23 23 ALA CA C 13 55.966 0.25 . 1 . . . A 40 ALA CA . 17928 1 48 . 1 1 23 23 ALA N N 15 122.808 0.25 . 1 . . . A 40 ALA N . 17928 1 49 . 1 1 24 24 TRP H H 1 8.719 0.25 . 1 . . . A 41 TRP H . 17928 1 50 . 1 1 24 24 TRP CA C 13 61.305 0.25 . 1 . . . A 41 TRP CA . 17928 1 51 . 1 1 24 24 TRP N N 15 120.625 0.25 . 1 . . . A 41 TRP N . 17928 1 52 . 1 1 25 25 THR H H 1 8.17 0.25 . 1 . . . A 42 THR H . 17928 1 53 . 1 1 25 25 THR CA C 13 67.884 0.25 . 1 . . . A 42 THR CA . 17928 1 54 . 1 1 25 25 THR N N 15 117.352 0.25 . 1 . . . A 42 THR N . 17928 1 55 . 1 1 26 26 ILE H H 1 8.181 0.25 . 1 . . . A 43 ILE H . 17928 1 56 . 1 1 26 26 ILE CA C 13 65.151 0.25 . 1 . . . A 43 ILE CA . 17928 1 57 . 1 1 26 26 ILE N N 15 120.946 0.25 . 1 . . . A 43 ILE N . 17928 1 58 . 1 1 27 27 GLY H H 1 7.902 0.25 . 1 . . . A 44 GLY H . 17928 1 59 . 1 1 27 27 GLY CA C 13 47.047 0.25 . 1 . . . A 44 GLY CA . 17928 1 60 . 1 1 27 27 GLY N N 15 123.707 0.25 . 1 . . . A 44 GLY N . 17928 1 61 . 1 1 28 28 HIS H H 1 7.578 0.25 . 1 . . . A 45 HIS H . 17928 1 62 . 1 1 28 28 HIS CA C 13 59.277 0.25 . 1 . . . A 45 HIS CA . 17928 1 63 . 1 1 28 28 HIS N N 15 120.497 0.25 . 1 . . . A 45 HIS N . 17928 1 64 . 1 1 29 29 LEU H H 1 7.998 0.25 . 1 . . . A 46 LEU H . 17928 1 65 . 1 1 29 29 LEU CA C 13 57.298 0.25 . 1 . . . A 46 LEU CA . 17928 1 66 . 1 1 29 29 LEU N N 15 120.176 0.25 . 1 . . . A 46 LEU N . 17928 1 67 . 1 1 30 30 ASN H H 1 8.039 0.25 . 1 . . . A 47 ASN H . 17928 1 68 . 1 1 30 30 ASN CA C 13 54.811 0.25 . 1 . . . A 47 ASN CA . 17928 1 69 . 1 1 30 30 ASN N N 15 116.774 0.25 . 1 . . . A 47 ASN N . 17928 1 70 . 1 1 31 31 GLN H H 1 7.618 0.25 . 1 . . . A 48 GLN H . 17928 1 71 . 1 1 31 31 GLN CA C 13 56.841 0.25 . 1 . . . A 48 GLN CA . 17928 1 72 . 1 1 31 31 GLN N N 15 118.571 0.25 . 1 . . . A 48 GLN N . 17928 1 73 . 1 1 32 32 ILE H H 1 7.565 0.25 . 1 . . . A 49 ILE H . 17928 1 74 . 1 1 32 32 ILE CA C 13 62.271 0.25 . 1 . . . A 49 ILE CA . 17928 1 75 . 1 1 32 32 ILE N N 15 119.919 0.25 . 1 . . . A 49 ILE N . 17928 1 76 . 1 1 33 33 LYS H H 1 7.976 0.25 . 1 . . . A 50 LYS H . 17928 1 77 . 1 1 33 33 LYS CA C 13 56.675 0.25 . 1 . . . A 50 LYS CA . 17928 1 78 . 1 1 33 33 LYS N N 15 124.477 0.25 . 1 . . . A 50 LYS N . 17928 1 stop_ save_