data_25178 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25178 _Entry.Title ; Three-dimensional structure of the p7 protein of hepatitis C virus in phospholipid bilayers by solid-state NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-28 _Entry.Accession_date 2014-08-28 _Entry.Last_release_date 2014-10-07 _Entry.Original_release_date 2014-10-07 _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 SOLID-STATE _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 Gabriel Cook . A. . 25178 2 Lindsay Dawson . A. . 25178 3 Ye Tian . . . 25178 4 Bibhuti Das . B. . 25178 5 Stanley Opella . J. . 25178 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 'not applicable' 'not applicable' . 25178 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HCV . 25178 'Solid-state NMR' . 25178 proteoliposome . 25178 viroporin . 25178 ion-channel . 25178 'two transmembrane' . 25178 'membrane protein' . 25178 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25178 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 86 25178 '15N chemical shifts' 47 25178 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 . . 2014-10-07 2014-08-28 original author . 25178 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MTR 'BMRB Entry Tracking System' 25178 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25178 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23841474 _Citation.Full_citation . _Citation.Title 'Three-dimensional structure of the p7 protein of hepatitis C virus in phospholipid bilayers by solid-state NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _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.Entry_ID _Citation_author.Citation_ID 1 Gabriel Cook G. A. . 25178 1 2 Lindsay Dawson L. A. . 25178 1 3 Ye Tian Y. . . 25178 1 4 Stanley Opella S. J. . 25178 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25178 _Assembly.ID 1 _Assembly.Name 'p7 protein of hepatitis C virus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25178 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25178 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ALENLVVLNAASVAGAHGIL SFLVFFSAAWYIKGRLAPGA AYAFYGVWPLLLLLLALPPR AYA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6693.997 _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 18863 . p7 . . . . . 100.00 86 98.41 98.41 4.23e-32 . . . . 25178 1 2 no BMRB 25181 . entity . . . . . 100.00 63 100.00 100.00 1.72e-32 . . . . 25178 1 3 no PDB 2MTS . "Three-dimensional Structure And Interaction Studies Of Hepatitis C Virus P7 In 1,2-dihexanoyl-sn-glycero-3-phosphocholine By So" . . . . . 100.00 63 100.00 100.00 1.72e-32 . . . . 25178 1 4 no PDB 3ZD0 . "The Solution Structure Of Monomeric Hepatitis C Virus P7 Yields Potent Inhibitors Of Virion Release" . . . . . 100.00 86 98.41 98.41 4.23e-32 . . . . 25178 1 5 no DBJ BAA01583 . "polyprotein precursor [Hepatitis C virus]" . . . . . 100.00 3010 98.41 98.41 1.77e-29 . . . . 25178 1 6 no DBJ BAA02756 . "polyprotein precursor [Hepatitis C virus]" . . . . . 100.00 3010 98.41 98.41 1.97e-29 . . . . 25178 1 7 no EMBL CAA43792 . "JK5, partial [Hepatitis C virus]" . . . . . 57.14 782 97.22 97.22 1.87e-11 . . . . 25178 1 8 no GB AAC15722 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 98.41 98.41 1.75e-29 . . . . 25178 1 9 no GB AAC15723 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 98.41 98.41 2.09e-29 . . . . 25178 1 10 no GB AAC15724 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 98.41 98.41 1.67e-29 . . . . 25178 1 11 no GB AAC15725 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 98.41 98.41 1.81e-29 . . . . 25178 1 12 no GB AAC15726 . "polyprotein, partial [Hepatitis C virus]" . . . . . 100.00 2864 98.41 98.41 1.75e-29 . . . . 25178 1 13 no SP O92972 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3010 98.41 98.41 2.01e-29 . . . . 25178 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 25178 1 2 2 LEU . 25178 1 3 3 GLU . 25178 1 4 4 ASN . 25178 1 5 5 LEU . 25178 1 6 6 VAL . 25178 1 7 7 VAL . 25178 1 8 8 LEU . 25178 1 9 9 ASN . 25178 1 10 10 ALA . 25178 1 11 11 ALA . 25178 1 12 12 SER . 25178 1 13 13 VAL . 25178 1 14 14 ALA . 25178 1 15 15 GLY . 25178 1 16 16 ALA . 25178 1 17 17 HIS . 25178 1 18 18 GLY . 25178 1 19 19 ILE . 25178 1 20 20 LEU . 25178 1 21 21 SER . 25178 1 22 22 PHE . 25178 1 23 23 LEU . 25178 1 24 24 VAL . 25178 1 25 25 PHE . 25178 1 26 26 PHE . 25178 1 27 27 SER . 25178 1 28 28 ALA . 25178 1 29 29 ALA . 25178 1 30 30 TRP . 25178 1 31 31 TYR . 25178 1 32 32 ILE . 25178 1 33 33 LYS . 25178 1 34 34 GLY . 25178 1 35 35 ARG . 25178 1 36 36 LEU . 25178 1 37 37 ALA . 25178 1 38 38 PRO . 25178 1 39 39 GLY . 25178 1 40 40 ALA . 25178 1 41 41 ALA . 25178 1 42 42 TYR . 25178 1 43 43 ALA . 25178 1 44 44 PHE . 25178 1 45 45 TYR . 25178 1 46 46 GLY . 25178 1 47 47 VAL . 25178 1 48 48 TRP . 25178 1 49 49 PRO . 25178 1 50 50 LEU . 25178 1 51 51 LEU . 25178 1 52 52 LEU . 25178 1 53 53 LEU . 25178 1 54 54 LEU . 25178 1 55 55 LEU . 25178 1 56 56 ALA . 25178 1 57 57 LEU . 25178 1 58 58 PRO . 25178 1 59 59 PRO . 25178 1 60 60 ARG . 25178 1 61 61 ALA . 25178 1 62 62 TYR . 25178 1 63 63 ALA . 25178 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 25178 1 . LEU 2 2 25178 1 . GLU 3 3 25178 1 . ASN 4 4 25178 1 . LEU 5 5 25178 1 . VAL 6 6 25178 1 . VAL 7 7 25178 1 . LEU 8 8 25178 1 . ASN 9 9 25178 1 . ALA 10 10 25178 1 . ALA 11 11 25178 1 . SER 12 12 25178 1 . VAL 13 13 25178 1 . ALA 14 14 25178 1 . GLY 15 15 25178 1 . ALA 16 16 25178 1 . HIS 17 17 25178 1 . GLY 18 18 25178 1 . ILE 19 19 25178 1 . LEU 20 20 25178 1 . SER 21 21 25178 1 . PHE 22 22 25178 1 . LEU 23 23 25178 1 . VAL 24 24 25178 1 . PHE 25 25 25178 1 . PHE 26 26 25178 1 . SER 27 27 25178 1 . ALA 28 28 25178 1 . ALA 29 29 25178 1 . TRP 30 30 25178 1 . TYR 31 31 25178 1 . ILE 32 32 25178 1 . LYS 33 33 25178 1 . GLY 34 34 25178 1 . ARG 35 35 25178 1 . LEU 36 36 25178 1 . ALA 37 37 25178 1 . PRO 38 38 25178 1 . GLY 39 39 25178 1 . ALA 40 40 25178 1 . ALA 41 41 25178 1 . TYR 42 42 25178 1 . ALA 43 43 25178 1 . PHE 44 44 25178 1 . TYR 45 45 25178 1 . GLY 46 46 25178 1 . VAL 47 47 25178 1 . TRP 48 48 25178 1 . PRO 49 49 25178 1 . LEU 50 50 25178 1 . LEU 51 51 25178 1 . LEU 52 52 25178 1 . LEU 53 53 25178 1 . LEU 54 54 25178 1 . LEU 55 55 25178 1 . ALA 56 56 25178 1 . LEU 57 57 25178 1 . PRO 58 58 25178 1 . PRO 59 59 25178 1 . ARG 60 60 25178 1 . ALA 61 61 25178 1 . TYR 62 62 25178 1 . ALA 63 63 25178 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 25178 _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 $entity . 420174 virus . 'Flaviviridae Hepacivirus' 'Hepatitis C virus' . . Viruses . Hepacivirus 'Hepatitis C virus' 1b 'J4 isolate' . . . . . . . . . . . . . . 'Hepatitis C virus (HCV)' . 'Genotype 1b J4 Isolate' . . 25178 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 25178 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C43(DE3) . . . . . . . . . . . . . . . pHLV . . . . . . 25178 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25178 _Sample.ID 1 _Sample.Type liposome _Sample.Sub_type . _Sample.Details 'DMPC liposomes' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 p7 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 3 4 mg . . . . 25178 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25178 1 3 H2O 'natural abundance' . . . . . . 100 . . % . . . . 25178 1 4 DMPC 'natural abundance' . . . . . . 25 . . mg . . . . 25178 1 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 25178 _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 pH 7.3 . pH 25178 1 temperature 298 . K 25178 1 pressure 1 . atm 25178 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25178 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25178 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25178 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25178 _Software.ID 2 _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' . . 25178 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25178 2 stop_ save_ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 25178 _Software.ID 3 _Software.Name Xplor-NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25178 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25178 3 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 25178 _Software.ID 4 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 25178 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25178 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25178 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Active Shield' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25178 _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 Varian INOVA . 700 'Active Shield' . . 25178 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 25178 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25178 1 2 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25178 1 3 '2D 15N-13C HETCOR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25178 1 4 '2D 13C/13C Correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25178 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25178 _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 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 25178 1 C 13 adamantane 'methyl carbon' . . . . ppm 38.48 external direct 1.0 . . . . . . . . . 25178 1 N 15 '[15N] ammonium sulfate' nitrogen . . . . ppm 26.8 external direct 1.0 . . . . . . . . . 25178 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 25178 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACX' . . . 25178 1 2 '3D NCOCX' . . . 25178 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 6 6 VAL C C 13 173.90 . . . . . . A 6 VAL C . 25178 1 2 . 1 1 6 6 VAL CA C 13 61.03 . . . . . . A 6 VAL CA . 25178 1 3 . 1 1 6 6 VAL N N 15 126.40 . . . . . . A 6 VAL N . 25178 1 4 . 1 1 7 7 VAL C C 13 173.40 . . . . . . A 7 VAL C . 25178 1 5 . 1 1 7 7 VAL CA C 13 60.89 . . . . . . A 7 VAL CA . 25178 1 6 . 1 1 7 7 VAL N N 15 126.80 . . . . . . A 7 VAL N . 25178 1 7 . 1 1 8 8 LEU C C 13 174.90 . . . . . . A 8 LEU C . 25178 1 8 . 1 1 8 8 LEU CA C 13 55.57 . . . . . . A 8 LEU CA . 25178 1 9 . 1 1 8 8 LEU N N 15 130.00 . . . . . . A 8 LEU N . 25178 1 10 . 1 1 9 9 ASN C C 13 173.60 . . . . . . A 9 ASN C . 25178 1 11 . 1 1 9 9 ASN CA C 13 53.07 . . . . . . A 9 ASN CA . 25178 1 12 . 1 1 9 9 ASN N N 15 128.30 . . . . . . A 9 ASN N . 25178 1 13 . 1 1 10 10 ALA C C 13 173.70 . . . . . . A 10 ALA C . 25178 1 14 . 1 1 10 10 ALA CA C 13 52.83 . . . . . . A 10 ALA CA . 25178 1 15 . 1 1 10 10 ALA N N 15 129.90 . . . . . . A 10 ALA N . 25178 1 16 . 1 1 11 11 ALA C C 13 175.00 . . . . . . A 11 ALA C . 25178 1 17 . 1 1 11 11 ALA CA C 13 50.28 . . . . . . A 11 ALA CA . 25178 1 18 . 1 1 11 11 ALA N N 15 122.40 . . . . . . A 11 ALA N . 25178 1 19 . 1 1 12 12 SER C C 13 174.60 . . . . . . A 12 SER C . 25178 1 20 . 1 1 12 12 SER CA C 13 57.78 . . . . . . A 12 SER CA . 25178 1 21 . 1 1 12 12 SER N N 15 120.40 . . . . . . A 12 SER N . 25178 1 22 . 1 1 13 13 VAL C C 13 174.80 . . . . . . A 13 VAL C . 25178 1 23 . 1 1 13 13 VAL CA C 13 60.69 . . . . . . A 13 VAL CA . 25178 1 24 . 1 1 13 13 VAL N N 15 126.20 . . . . . . A 13 VAL N . 25178 1 25 . 1 1 14 14 ALA C C 13 171.90 . . . . . . A 14 ALA C . 25178 1 26 . 1 1 14 14 ALA CA C 13 49.92 . . . . . . A 14 ALA CA . 25178 1 27 . 1 1 14 14 ALA N N 15 125.50 . . . . . . A 14 ALA N . 25178 1 28 . 1 1 15 15 GLY C C 13 174.90 . . . . . . A 15 GLY C . 25178 1 29 . 1 1 15 15 GLY CA C 13 50.15 . . . . . . A 15 GLY CA . 25178 1 30 . 1 1 15 15 GLY N N 15 107.80 . . . . . . A 15 GLY N . 25178 1 31 . 1 1 16 16 ALA C C 13 176.70 . . . . . . A 16 ALA C . 25178 1 32 . 1 1 16 16 ALA CA C 13 50.51 . . . . . . A 16 ALA CA . 25178 1 33 . 1 1 16 16 ALA N N 15 124.80 . . . . . . A 16 ALA N . 25178 1 34 . 1 1 17 17 HIS C C 13 174.60 . . . . . . A 17 HIS C . 25178 1 35 . 1 1 17 17 HIS CA C 13 57.94 . . . . . . A 17 HIS CA . 25178 1 36 . 1 1 17 17 HIS N N 15 120.70 . . . . . . A 17 HIS N . 25178 1 37 . 1 1 19 19 ILE C C 13 174.00 . . . . . . A 19 ILE C . 25178 1 38 . 1 1 19 19 ILE CA C 13 60.01 . . . . . . A 19 ILE CA . 25178 1 39 . 1 1 19 19 ILE N N 15 124.20 . . . . . . A 19 ILE N . 25178 1 40 . 1 1 20 20 LEU C C 13 175.90 . . . . . . A 20 LEU C . 25178 1 41 . 1 1 20 20 LEU CA C 13 55.05 . . . . . . A 20 LEU CA . 25178 1 42 . 1 1 20 20 LEU N N 15 124.10 . . . . . . A 20 LEU N . 25178 1 43 . 1 1 21 21 SER C C 13 172.50 . . . . . . A 21 SER C . 25178 1 44 . 1 1 21 21 SER CA C 13 56.69 . . . . . . A 21 SER CA . 25178 1 45 . 1 1 21 21 SER N N 15 118.80 . . . . . . A 21 SER N . 25178 1 46 . 1 1 22 22 PHE C C 13 178.00 . . . . . . A 22 PHE C . 25178 1 47 . 1 1 22 22 PHE CA C 13 58.88 . . . . . . A 22 PHE CA . 25178 1 48 . 1 1 22 22 PHE N N 15 120.80 . . . . . . A 22 PHE N . 25178 1 49 . 1 1 23 23 LEU C C 13 174.10 . . . . . . A 23 LEU C . 25178 1 50 . 1 1 23 23 LEU CA C 13 54.82 . . . . . . A 23 LEU CA . 25178 1 51 . 1 1 23 23 LEU N N 15 116.70 . . . . . . A 23 LEU N . 25178 1 52 . 1 1 24 24 VAL C C 13 175.90 . . . . . . A 24 VAL C . 25178 1 53 . 1 1 24 24 VAL CA C 13 61.96 . . . . . . A 24 VAL CA . 25178 1 54 . 1 1 24 24 VAL N N 15 129.40 . . . . . . A 24 VAL N . 25178 1 55 . 1 1 25 25 PHE C C 13 173.40 . . . . . . A 25 PHE C . 25178 1 56 . 1 1 25 25 PHE CA C 13 54.85 . . . . . . A 25 PHE CA . 25178 1 57 . 1 1 25 25 PHE N N 15 120.70 . . . . . . A 25 PHE N . 25178 1 58 . 1 1 26 26 PHE C C 13 172.70 . . . . . . A 26 PHE C . 25178 1 59 . 1 1 26 26 PHE CA C 13 57.57 . . . . . . A 26 PHE CA . 25178 1 60 . 1 1 26 26 PHE N N 15 122.60 . . . . . . A 26 PHE N . 25178 1 61 . 1 1 27 27 SER C C 13 172.90 . . . . . . A 27 SER C . 25178 1 62 . 1 1 27 27 SER CA C 13 57.82 . . . . . . A 27 SER CA . 25178 1 63 . 1 1 27 27 SER N N 15 119.50 . . . . . . A 27 SER N . 25178 1 64 . 1 1 28 28 ALA C C 13 177.70 . . . . . . A 28 ALA C . 25178 1 65 . 1 1 28 28 ALA CA C 13 49.91 . . . . . . A 28 ALA CA . 25178 1 66 . 1 1 28 28 ALA N N 15 121.90 . . . . . . A 28 ALA N . 25178 1 67 . 1 1 29 29 ALA C C 13 174.90 . . . . . . A 29 ALA C . 25178 1 68 . 1 1 29 29 ALA CA C 13 52.17 . . . . . . A 29 ALA CA . 25178 1 69 . 1 1 29 29 ALA N N 15 126.80 . . . . . . A 29 ALA N . 25178 1 70 . 1 1 30 30 TRP C C 13 174.20 . . . . . . A 30 TRP C . 25178 1 71 . 1 1 30 30 TRP CA C 13 56.21 . . . . . . A 30 TRP CA . 25178 1 72 . 1 1 30 30 TRP N N 15 126.90 . . . . . . A 30 TRP N . 25178 1 73 . 1 1 31 31 TYR C C 13 176.90 . . . . . . A 31 TYR C . 25178 1 74 . 1 1 31 31 TYR CA C 13 53.79 . . . . . . A 31 TYR CA . 25178 1 75 . 1 1 31 31 TYR N N 15 122.10 . . . . . . A 31 TYR N . 25178 1 76 . 1 1 32 32 ILE C C 13 175.00 . . . . . . A 32 ILE C . 25178 1 77 . 1 1 32 32 ILE CA C 13 60.74 . . . . . . A 32 ILE CA . 25178 1 78 . 1 1 32 32 ILE N N 15 125.70 . . . . . . A 32 ILE N . 25178 1 79 . 1 1 33 33 LYS C C 13 173.90 . . . . . . A 33 LYS C . 25178 1 80 . 1 1 33 33 LYS CA C 13 57.94 . . . . . . A 33 LYS CA . 25178 1 81 . 1 1 33 33 LYS N N 15 123.30 . . . . . . A 33 LYS N . 25178 1 82 . 1 1 35 35 ARG C C 13 173.50 . . . . . . A 35 ARG C . 25178 1 83 . 1 1 35 35 ARG CA C 13 57.95 . . . . . . A 35 ARG CA . 25178 1 84 . 1 1 35 35 ARG N N 15 131.80 . . . . . . A 35 ARG N . 25178 1 85 . 1 1 36 36 LEU C C 13 175.40 . . . . . . A 36 LEU C . 25178 1 86 . 1 1 36 36 LEU CA C 13 56.21 . . . . . . A 36 LEU CA . 25178 1 87 . 1 1 36 36 LEU N N 15 125.70 . . . . . . A 36 LEU N . 25178 1 88 . 1 1 37 37 ALA C C 13 174.30 . . . . . . A 37 ALA C . 25178 1 89 . 1 1 37 37 ALA CA C 13 56.25 . . . . . . A 37 ALA CA . 25178 1 90 . 1 1 37 37 ALA N N 15 123.60 . . . . . . A 37 ALA N . 25178 1 91 . 1 1 38 38 PRO C C 13 174.70 . . . . . . A 38 PRO C . 25178 1 92 . 1 1 38 38 PRO CA C 13 60.65 . . . . . . A 38 PRO CA . 25178 1 93 . 1 1 38 38 PRO N N 15 131.60 . . . . . . A 38 PRO N . 25178 1 94 . 1 1 39 39 GLY C C 13 173.50 . . . . . . A 39 GLY C . 25178 1 95 . 1 1 39 39 GLY CA C 13 50.15 . . . . . . A 39 GLY CA . 25178 1 96 . 1 1 39 39 GLY N N 15 106.20 . . . . . . A 39 GLY N . 25178 1 97 . 1 1 41 41 ALA C C 13 174.80 . . . . . . A 41 ALA C . 25178 1 98 . 1 1 41 41 ALA CA C 13 50.70 . . . . . . A 41 ALA CA . 25178 1 99 . 1 1 41 41 ALA N N 15 127.60 . . . . . . A 41 ALA N . 25178 1 100 . 1 1 42 42 TYR C C 13 175.30 . . . . . . A 42 TYR C . 25178 1 101 . 1 1 42 42 TYR CA C 13 55.86 . . . . . . A 42 TYR CA . 25178 1 102 . 1 1 42 42 TYR N N 15 122.40 . . . . . . A 42 TYR N . 25178 1 103 . 1 1 43 43 ALA C C 13 175.00 . . . . . . A 43 ALA C . 25178 1 104 . 1 1 43 43 ALA CA C 13 50.09 . . . . . . A 43 ALA CA . 25178 1 105 . 1 1 43 43 ALA N N 15 129.40 . . . . . . A 43 ALA N . 25178 1 106 . 1 1 44 44 PHE C C 13 172.60 . . . . . . A 44 PHE C . 25178 1 107 . 1 1 44 44 PHE CA C 13 53.10 . . . . . . A 44 PHE CA . 25178 1 108 . 1 1 44 44 PHE N N 15 123.40 . . . . . . A 44 PHE N . 25178 1 109 . 1 1 45 45 TYR C C 13 176.10 . . . . . . A 45 TYR C . 25178 1 110 . 1 1 45 45 TYR CA C 13 54.11 . . . . . . A 45 TYR CA . 25178 1 111 . 1 1 45 45 TYR N N 15 119.80 . . . . . . A 45 TYR N . 25178 1 112 . 1 1 47 47 VAL C C 13 171.20 . . . . . . A 47 VAL C . 25178 1 113 . 1 1 47 47 VAL CA C 13 62.03 . . . . . . A 47 VAL CA . 25178 1 114 . 1 1 47 47 VAL N N 15 130.50 . . . . . . A 47 VAL N . 25178 1 115 . 1 1 48 48 TRP N N 15 125.20 . . . . . . A 48 TRP N . 25178 1 116 . 1 1 49 49 PRO C C 13 173.60 . . . . . . A 49 PRO C . 25178 1 117 . 1 1 49 49 PRO CA C 13 60.69 . . . . . . A 49 PRO CA . 25178 1 118 . 1 1 49 49 PRO N N 15 132.50 . . . . . . A 49 PRO N . 25178 1 119 . 1 1 50 50 LEU C C 13 174.10 . . . . . . A 50 LEU C . 25178 1 120 . 1 1 50 50 LEU CA C 13 53.08 . . . . . . A 50 LEU CA . 25178 1 121 . 1 1 50 50 LEU N N 15 126.80 . . . . . . A 50 LEU N . 25178 1 122 . 1 1 51 51 LEU CA C 13 53.71 . . . . . . A 51 LEU CA . 25178 1 123 . 1 1 51 51 LEU N N 15 126.50 . . . . . . A 51 LEU N . 25178 1 124 . 1 1 52 52 LEU CA C 13 54.24 . . . . . . A 52 LEU CA . 25178 1 125 . 1 1 52 52 LEU N N 15 126.90 . . . . . . A 52 LEU N . 25178 1 126 . 1 1 53 53 LEU CA C 13 53.89 . . . . . . A 53 LEU CA . 25178 1 127 . 1 1 53 53 LEU N N 15 125.50 . . . . . . A 53 LEU N . 25178 1 128 . 1 1 54 54 LEU CA C 13 54.06 . . . . . . A 54 LEU CA . 25178 1 129 . 1 1 54 54 LEU N N 15 126.20 . . . . . . A 54 LEU N . 25178 1 130 . 1 1 55 55 LEU CA C 13 53.75 . . . . . . A 55 LEU CA . 25178 1 131 . 1 1 55 55 LEU N N 15 126.20 . . . . . . A 55 LEU N . 25178 1 132 . 1 1 57 57 LEU CA C 13 53.78 . . . . . . A 57 LEU CA . 25178 1 133 . 1 1 57 57 LEU N N 15 125.80 . . . . . . A 57 LEU N . 25178 1 stop_ save_