data_4699 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4699 _Entry.Title ; The transmembrane domains of hepatitis C virus envelope glycoproteins E1 and E2 play a major role in heterodimerisation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-24 _Entry.Accession_date 2000-03-24 _Entry.Last_release_date 2000-03-29 _Entry.Original_release_date 2000-03-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Anne 'Op De Beeck' . . . 4699 2 Roland Montserret . . . 4699 3 Sandrine Duvet . . . 4699 4 Laurence Cocquerel . . . 4699 5 Rene Cacan . . . 4699 6 Benoit Barberot . . . 4699 7 Marc 'Le Maire' . . . 4699 8 Francois Penin . . . 4699 9 Jean Dubuisson . . . 4699 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4699 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 144 4699 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 . . 2000-03-29 2000-03-24 original author . 4699 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4699 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The transmembrane domains of hepatitis C virus envelope glycoproteins E1 and E2 play a major role in heterodimerisation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 Anne 'Op De Beeck' . . . 4699 1 2 Roland Montserret . . . 4699 1 3 Sandrine Duvet . . . 4699 1 4 Laurence Cocquerel . . . 4699 1 5 Rene Cacan . . . 4699 1 6 Benoit Barberot . . . 4699 1 7 Marc 'Le Maire' . . . 4699 1 8 Francois Penin . . . 4699 1 9 Jean Dubuisson . . . 4699 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3D structure' 4699 1 'hepatitis C virus' 4699 1 heterodimerisation 4699 1 'transmembrane domains' 4699 1 'viral envelope proteins' 4699 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_E(350-370) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_E(350-370) _Assembly.Entry_ID 4699 _Assembly.ID 1 _Assembly.Name 'HCV TME1' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4699 1 stop_ 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 E(350-370) 1 $E(350-370) . . . native . . . . . 4699 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1EMZ . 'A Chain A, Solution Structure Of Fragment (350-370) Of The Transmembrane Domain Of Hepatitis C Envelope Glycoprotein E' . . . . 4699 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HCV TME1' abbreviation 4699 1 'HCV TME1' system 4699 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E(350-370) _Entity.Sf_category entity _Entity.Sf_framecode E(350-370) _Entity.Entry_ID 4699 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HCV TME1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAHWGVLAGIAYFSMVGNWA K ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 PDB 1EMZ . "Solution Structure Of Fragment (350-370) Of The Transmembrane Domain Of Hepatitis C Envelope Glycoprotein E1" . . . . . 100.00 21 100.00 100.00 1.37e-04 . . . . 4699 1 2 no DBJ BAA00705 . "structural protein, partial [Hepatitis C virus]" . . . . . 100.00 513 100.00 100.00 1.81e-04 . . . . 4699 1 3 no DBJ BAA01582 . "polyprotein precursor [Hepatitis C virus]" . . . . . 100.00 3011 100.00 100.00 5.63e-05 . . . . 4699 1 4 no DBJ BAA14118 . "X protein, partial [Hepatitis C virus]" . . . . . 100.00 129 100.00 100.00 9.23e-05 . . . . 4699 1 5 no DBJ BAC41268 . "polyprotein, partial [Hepatitis C virus]" . . . . . 100.00 491 100.00 100.00 3.67e-04 . . . . 4699 1 6 no DBJ BAC41269 . "polyprotein, partial [Hepatitis C virus]" . . . . . 100.00 491 100.00 100.00 3.60e-04 . . . . 4699 1 7 no EMBL CAA12472 . "glycoprotein, partial [Hepatitis C virus]" . . . . . 100.00 84 100.00 100.00 3.51e-05 . . . . 4699 1 8 no EMBL CAA12473 . "glycoprotein, partial [Hepatitis C virus]" . . . . . 100.00 84 100.00 100.00 3.92e-05 . . . . 4699 1 9 no EMBL CAA12474 . "glycoprotein, partial [Hepatitis C virus]" . . . . . 100.00 84 100.00 100.00 3.51e-05 . . . . 4699 1 10 no EMBL CAA12477 . "glycoprotein, partial [Hepatitis C virus]" . . . . . 100.00 84 100.00 100.00 3.37e-05 . . . . 4699 1 11 no EMBL CAA12481 . "glycoprotein, partial [Hepatitis C virus]" . . . . . 100.00 84 100.00 100.00 3.88e-05 . . . . 4699 1 12 no GB AAA45545 . "envelope protein E1, partial [Hepatitis C virus]" . . . . . 100.00 192 100.00 100.00 1.26e-04 . . . . 4699 1 13 no GB AAA45558 . "envelope protein E1, partial [Hepatitis C virus]" . . . . . 100.00 192 100.00 100.00 7.66e-05 . . . . 4699 1 14 no GB AAA45563 . "envelope protein E1, partial [Hepatitis C virus]" . . . . . 100.00 192 100.00 100.00 1.86e-04 . . . . 4699 1 15 no GB AAA45569 . "envelope protein E1, partial [Hepatitis C virus]" . . . . . 100.00 192 100.00 100.00 1.67e-04 . . . . 4699 1 16 no GB AAA45570 . "envelope protein E1, partial [Hepatitis C virus]" . . . . . 100.00 192 100.00 100.00 7.66e-05 . . . . 4699 1 17 no PRF 1812304B . "nonstructural protein E2 [Hepatitis C virus]" . . . . . 100.00 403 100.00 100.00 4.55e-04 . . . . 4699 1 18 no REF NP_671491 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3011 100.00 100.00 5.68e-05 . . . . 4699 1 19 no REF NP_751920 . "E1 protein [Hepatitis C virus]" . . . . . 100.00 192 100.00 100.00 1.43e-04 . . . . 4699 1 20 no SP P26664 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3011 100.00 100.00 5.27e-05 . . . . 4699 1 21 no SP P27953 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Envelope glycoprotein E1; AltName: Full=gp32; AltName: Full=gp35; Con" . . . . . 100.00 138 100.00 100.00 6.97e-05 . . . . 4699 1 22 no SP P27955 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 309 100.00 100.00 1.78e-04 . . . . 4699 1 23 no SP P27956 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 321 100.00 100.00 2.33e-04 . . . . 4699 1 24 no SP P27957 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 321 100.00 100.00 2.05e-04 . . . . 4699 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID E(350-370) abbreviation 4699 1 'HCV TME1' common 4699 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 . GLY . 4699 1 2 . ALA . 4699 1 3 . HIS . 4699 1 4 . TRP . 4699 1 5 . GLY . 4699 1 6 . VAL . 4699 1 7 . LEU . 4699 1 8 . ALA . 4699 1 9 . GLY . 4699 1 10 . ILE . 4699 1 11 . ALA . 4699 1 12 . TYR . 4699 1 13 . PHE . 4699 1 14 . SER . 4699 1 15 . MET . 4699 1 16 . VAL . 4699 1 17 . GLY . 4699 1 18 . ASN . 4699 1 19 . TRP . 4699 1 20 . ALA . 4699 1 21 . LYS . 4699 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4699 1 . ALA 2 2 4699 1 . HIS 3 3 4699 1 . TRP 4 4 4699 1 . GLY 5 5 4699 1 . VAL 6 6 4699 1 . LEU 7 7 4699 1 . ALA 8 8 4699 1 . GLY 9 9 4699 1 . ILE 10 10 4699 1 . ALA 11 11 4699 1 . TYR 12 12 4699 1 . PHE 13 13 4699 1 . SER 14 14 4699 1 . MET 15 15 4699 1 . VAL 16 16 4699 1 . GLY 17 17 4699 1 . ASN 18 18 4699 1 . TRP 19 19 4699 1 . ALA 20 20 4699 1 . LYS 21 21 4699 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 4699 _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 $E(350-370) . 11102 virus . 'Hepacivirus flaviviridae' . . . viruses . Hepacivirus flaviviridae . . . . . . . . . . . . . . . . . . . . . 4699 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 4699 _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 $E(350-370) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4699 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4699 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV TME1' . . . 1 $E(350-370) . . 4.0 . . mM . . . . 4699 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4699 _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 5.7 0.2 pH 4699 1 temperature 293 0.2 K 4699 1 stop_ save_ ############################ # Computer software used # ############################ save_vnmr _Software.Sf_category software _Software.Sf_framecode vnmr _Software.Entry_ID 4699 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection and processing' 4699 1 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 4699 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4699 _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 'Unity Plus' . 500 . . . 4699 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 4699 _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 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_one . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4699 1 2 'DQF COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_one . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4699 1 3 TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_one . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4699 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4699 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4699 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 1 _Assigned_chem_shift_list.Entry_ID 4699 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4699 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 1 1 GLY HA2 H 1 3.84 0.01 . 1 . . . . . . . . 4699 1 2 . 1 1 1 1 GLY HA3 H 1 3.84 0.01 . 1 . . . . . . . . 4699 1 3 . 1 1 2 2 ALA H H 1 8.43 0.01 . 1 . . . . . . . . 4699 1 4 . 1 1 2 2 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 4699 1 5 . 1 1 2 2 ALA HB1 H 1 1.21 0.01 . 1 . . . . . . . . 4699 1 6 . 1 1 2 2 ALA HB2 H 1 1.21 0.01 . 1 . . . . . . . . 4699 1 7 . 1 1 2 2 ALA HB3 H 1 1.21 0.01 . 1 . . . . . . . . 4699 1 8 . 1 1 3 3 HIS H H 1 8.34 0.01 . 1 . . . . . . . . 4699 1 9 . 1 1 3 3 HIS HA H 1 4.78 0.01 . 1 . . . . . . . . 4699 1 10 . 1 1 3 3 HIS HB2 H 1 3.25 0.01 . 1 . . . . . . . . 4699 1 11 . 1 1 3 3 HIS HB3 H 1 3.16 0.01 . 1 . . . . . . . . 4699 1 12 . 1 1 3 3 HIS HE2 H 1 7.22 0.01 . 1 . . . . . . . . 4699 1 13 . 1 1 4 4 TRP H H 1 7.97 0.01 . 1 . . . . . . . . 4699 1 14 . 1 1 4 4 TRP HA H 1 4.64 0.01 . 1 . . . . . . . . 4699 1 15 . 1 1 4 4 TRP HB2 H 1 3.37 0.01 . 1 . . . . . . . . 4699 1 16 . 1 1 4 4 TRP HB3 H 1 3.29 0.01 . 1 . . . . . . . . 4699 1 17 . 1 1 4 4 TRP HD1 H 1 7.27 0.01 . 1 . . . . . . . . 4699 1 18 . 1 1 4 4 TRP HE1 H 1 9.92 0.01 . 1 . . . . . . . . 4699 1 19 . 1 1 4 4 TRP HE3 H 1 7.60 0.01 . 1 . . . . . . . . 4699 1 20 . 1 1 4 4 TRP HZ2 H 1 7.48 0.01 . 1 . . . . . . . . 4699 1 21 . 1 1 4 4 TRP HZ3 H 1 7.14 0.01 . 1 . . . . . . . . 4699 1 22 . 1 1 4 4 TRP HH2 H 1 7.22 0.01 . 1 . . . . . . . . 4699 1 23 . 1 1 5 5 GLY H H 1 8.20 0.01 . 1 . . . . . . . . 4699 1 24 . 1 1 5 5 GLY HA2 H 1 3.94 0.01 . 1 . . . . . . . . 4699 1 25 . 1 1 5 5 GLY HA3 H 1 3.88 0.01 . 1 . . . . . . . . 4699 1 26 . 1 1 6 6 VAL H H 1 7.71 0.01 . 1 . . . . . . . . 4699 1 27 . 1 1 6 6 VAL HA H 1 3.96 0.01 . 1 . . . . . . . . 4699 1 28 . 1 1 6 6 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 4699 1 29 . 1 1 6 6 VAL HG11 H 1 1.05 0.01 . 1 . . . . . . . . 4699 1 30 . 1 1 6 6 VAL HG12 H 1 1.05 0.01 . 1 . . . . . . . . 4699 1 31 . 1 1 6 6 VAL HG13 H 1 1.05 0.01 . 1 . . . . . . . . 4699 1 32 . 1 1 6 6 VAL HG21 H 1 1.01 0.01 . 1 . . . . . . . . 4699 1 33 . 1 1 6 6 VAL HG22 H 1 1.01 0.01 . 1 . . . . . . . . 4699 1 34 . 1 1 6 6 VAL HG23 H 1 1.01 0.01 . 1 . . . . . . . . 4699 1 35 . 1 1 7 7 LEU H H 1 7.69 0.01 . 1 . . . . . . . . 4699 1 36 . 1 1 7 7 LEU HA H 1 4.24 0.01 . 1 . . . . . . . . 4699 1 37 . 1 1 7 7 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4699 1 38 . 1 1 7 7 LEU HB3 H 1 1.70 0.01 . 1 . . . . . . . . 4699 1 39 . 1 1 7 7 LEU HG H 1 1.77 0.01 . 1 . . . . . . . . 4699 1 40 . 1 1 7 7 LEU HD11 H 1 0.97 0.01 . 1 . . . . . . . . 4699 1 41 . 1 1 7 7 LEU HD12 H 1 0.97 0.01 . 1 . . . . . . . . 4699 1 42 . 1 1 7 7 LEU HD13 H 1 0.97 0.01 . 1 . . . . . . . . 4699 1 43 . 1 1 7 7 LEU HD21 H 1 0.94 0.01 . 1 . . . . . . . . 4699 1 44 . 1 1 7 7 LEU HD22 H 1 0.94 0.01 . 1 . . . . . . . . 4699 1 45 . 1 1 7 7 LEU HD23 H 1 0.94 0.01 . 1 . . . . . . . . 4699 1 46 . 1 1 8 8 ALA H H 1 7.88 0.01 . 1 . . . . . . . . 4699 1 47 . 1 1 8 8 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 4699 1 48 . 1 1 8 8 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4699 1 49 . 1 1 8 8 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4699 1 50 . 1 1 8 8 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4699 1 51 . 1 1 9 9 GLY H H 1 7.94 0.01 . 1 . . . . . . . . 4699 1 52 . 1 1 9 9 GLY HA2 H 1 3.94 0.01 . 1 . . . . . . . . 4699 1 53 . 1 1 9 9 GLY HA3 H 1 3.94 0.01 . 1 . . . . . . . . 4699 1 54 . 1 1 10 10 ILE H H 1 8.01 0.01 . 1 . . . . . . . . 4699 1 55 . 1 1 10 10 ILE HA H 1 3.97 0.01 . 1 . . . . . . . . 4699 1 56 . 1 1 10 10 ILE HB H 1 2.04 0.01 . 1 . . . . . . . . 4699 1 57 . 1 1 10 10 ILE HG12 H 1 1.80 0.01 . 1 . . . . . . . . 4699 1 58 . 1 1 10 10 ILE HG13 H 1 1.26 0.01 . 1 . . . . . . . . 4699 1 59 . 1 1 10 10 ILE HG21 H 1 1.00 0.01 . 1 . . . . . . . . 4699 1 60 . 1 1 10 10 ILE HG22 H 1 1.00 0.01 . 1 . . . . . . . . 4699 1 61 . 1 1 10 10 ILE HG23 H 1 1.00 0.01 . 1 . . . . . . . . 4699 1 62 . 1 1 10 10 ILE HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4699 1 63 . 1 1 10 10 ILE HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4699 1 64 . 1 1 10 10 ILE HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4699 1 65 . 1 1 11 11 ALA H H 1 8.37 0.01 . 1 . . . . . . . . 4699 1 66 . 1 1 11 11 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . 4699 1 67 . 1 1 11 11 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4699 1 68 . 1 1 11 11 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4699 1 69 . 1 1 11 11 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4699 1 70 . 1 1 12 12 TYR H H 1 8.12 0.01 . 1 . . . . . . . . 4699 1 71 . 1 1 12 12 TYR HA H 1 4.21 0.01 . 1 . . . . . . . . 4699 1 72 . 1 1 12 12 TYR HB2 H 1 3.10 0.01 . 1 . . . . . . . . 4699 1 73 . 1 1 12 12 TYR HB3 H 1 3.00 0.01 . 1 . . . . . . . . 4699 1 74 . 1 1 12 12 TYR HD1 H 1 6.73 0.01 . 1 . . . . . . . . 4699 1 75 . 1 1 12 12 TYR HD2 H 1 6.73 0.01 . 1 . . . . . . . . 4699 1 76 . 1 1 12 12 TYR HE1 H 1 6.66 0.01 . 1 . . . . . . . . 4699 1 77 . 1 1 12 12 TYR HE2 H 1 6.66 0.01 . 1 . . . . . . . . 4699 1 78 . 1 1 13 13 PHE H H 1 8.47 0.01 . 1 . . . . . . . . 4699 1 79 . 1 1 13 13 PHE HA H 1 4.24 0.01 . 1 . . . . . . . . 4699 1 80 . 1 1 13 13 PHE HB2 H 1 3.23 0.01 . 1 . . . . . . . . 4699 1 81 . 1 1 13 13 PHE HB3 H 1 3.16 0.01 . 1 . . . . . . . . 4699 1 82 . 1 1 13 13 PHE HD1 H 1 7.35 0.01 . 1 . . . . . . . . 4699 1 83 . 1 1 13 13 PHE HD2 H 1 7.35 0.01 . 1 . . . . . . . . 4699 1 84 . 1 1 13 13 PHE HE1 H 1 7.38 0.01 . 1 . . . . . . . . 4699 1 85 . 1 1 13 13 PHE HE2 H 1 7.38 0.01 . 1 . . . . . . . . 4699 1 86 . 1 1 14 14 SER H H 1 8.40 0.01 . 1 . . . . . . . . 4699 1 87 . 1 1 14 14 SER HA H 1 4.24 0.01 . 1 . . . . . . . . 4699 1 88 . 1 1 14 14 SER HB2 H 1 4.10 0.01 . 1 . . . . . . . . 4699 1 89 . 1 1 14 14 SER HB3 H 1 3.97 0.01 . 1 . . . . . . . . 4699 1 90 . 1 1 15 15 MET H H 1 7.85 0.01 . 1 . . . . . . . . 4699 1 91 . 1 1 15 15 MET HA H 1 4.33 0.01 . 1 . . . . . . . . 4699 1 92 . 1 1 15 15 MET HB2 H 1 2.16 0.01 . 1 . . . . . . . . 4699 1 93 . 1 1 15 15 MET HB3 H 1 2.09 0.01 . 1 . . . . . . . . 4699 1 94 . 1 1 15 15 MET HG2 H 1 2.64 0.01 . 1 . . . . . . . . 4699 1 95 . 1 1 15 15 MET HG3 H 1 2.48 0.01 . 1 . . . . . . . . 4699 1 96 . 1 1 15 15 MET HE1 H 1 2.06 0.01 . 1 . . . . . . . . 4699 1 97 . 1 1 15 15 MET HE2 H 1 2.06 0.01 . 1 . . . . . . . . 4699 1 98 . 1 1 15 15 MET HE3 H 1 2.06 0.01 . 1 . . . . . . . . 4699 1 99 . 1 1 16 16 VAL H H 1 7.98 0.01 . 1 . . . . . . . . 4699 1 100 . 1 1 16 16 VAL HA H 1 3.73 0.01 . 1 . . . . . . . . 4699 1 101 . 1 1 16 16 VAL HB H 1 1.96 0.01 . 1 . . . . . . . . 4699 1 102 . 1 1 16 16 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 4699 1 103 . 1 1 16 16 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 4699 1 104 . 1 1 16 16 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 4699 1 105 . 1 1 16 16 VAL HG21 H 1 0.74 0.01 . 1 . . . . . . . . 4699 1 106 . 1 1 16 16 VAL HG22 H 1 0.74 0.01 . 1 . . . . . . . . 4699 1 107 . 1 1 16 16 VAL HG23 H 1 0.74 0.01 . 1 . . . . . . . . 4699 1 108 . 1 1 17 17 GLY H H 1 8.07 0.01 . 1 . . . . . . . . 4699 1 109 . 1 1 17 17 GLY HA2 H 1 3.82 0.01 . 1 . . . . . . . . 4699 1 110 . 1 1 17 17 GLY HA3 H 1 3.78 0.01 . 1 . . . . . . . . 4699 1 111 . 1 1 18 18 ASN H H 1 7.85 0.01 . 1 . . . . . . . . 4699 1 112 . 1 1 18 18 ASN HA H 1 4.64 0.01 . 1 . . . . . . . . 4699 1 113 . 1 1 18 18 ASN HB2 H 1 2.78 0.01 . 1 . . . . . . . . 4699 1 114 . 1 1 18 18 ASN HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4699 1 115 . 1 1 18 18 ASN HD21 H 1 7.37 0.01 . 1 . . . . . . . . 4699 1 116 . 1 1 18 18 ASN HD22 H 1 6.75 0.01 . 1 . . . . . . . . 4699 1 117 . 1 1 19 19 TRP H H 1 8.02 0.01 . 1 . . . . . . . . 4699 1 118 . 1 1 19 19 TRP HA H 1 4.56 0.01 . 1 . . . . . . . . 4699 1 119 . 1 1 19 19 TRP HB2 H 1 3.42 0.01 . 1 . . . . . . . . 4699 1 120 . 1 1 19 19 TRP HB3 H 1 3.42 0.01 . 1 . . . . . . . . 4699 1 121 . 1 1 19 19 TRP HD1 H 1 7.24 0.01 . 1 . . . . . . . . 4699 1 122 . 1 1 19 19 TRP HE1 H 1 9.82 0.01 . 1 . . . . . . . . 4699 1 123 . 1 1 19 19 TRP HE3 H 1 7.64 0.01 . 1 . . . . . . . . 4699 1 124 . 1 1 19 19 TRP HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 4699 1 125 . 1 1 19 19 TRP HZ3 H 1 7.15 0.01 . 1 . . . . . . . . 4699 1 126 . 1 1 19 19 TRP HH2 H 1 7.22 0.01 . 1 . . . . . . . . 4699 1 127 . 1 1 20 20 ALA H H 1 8.16 0.01 . 1 . . . . . . . . 4699 1 128 . 1 1 20 20 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 4699 1 129 . 1 1 20 20 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4699 1 130 . 1 1 20 20 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4699 1 131 . 1 1 20 20 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4699 1 132 . 1 1 21 21 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 4699 1 133 . 1 1 21 21 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 4699 1 134 . 1 1 21 21 LYS HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4699 1 135 . 1 1 21 21 LYS HB3 H 1 1.87 0.01 . 1 . . . . . . . . 4699 1 136 . 1 1 21 21 LYS HG2 H 1 1.58 0.01 . 1 . . . . . . . . 4699 1 137 . 1 1 21 21 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4699 1 138 . 1 1 21 21 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 4699 1 139 . 1 1 21 21 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 4699 1 140 . 1 1 21 21 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 4699 1 141 . 1 1 21 21 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 4699 1 142 . 1 1 21 21 LYS HZ1 H 1 7.58 0.01 . 1 . . . . . . . . 4699 1 143 . 1 1 21 21 LYS HZ2 H 1 7.58 0.01 . 1 . . . . . . . . 4699 1 144 . 1 1 21 21 LYS HZ3 H 1 7.58 0.01 . 1 . . . . . . . . 4699 1 stop_ save_