data_6878 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6878 _Entry.Title ; Backbone 1H and 13C Chemical Shifts Assignemts for putative TM7 from V-ATPase subunit a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-25 _Entry.Accession_date 2005-10-26 _Entry.Last_release_date 2007-03-28 _Entry.Original_release_date 2007-03-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Afonso Duarte . M.S. . 6878 2 Cor Wolfs . J.A.M. . 6878 3 'van Nuland' Nico . A.J. . 6878 4 Harrison Michael . A. . 6878 5 Findlay John . B.C. . 6878 6 'van Mierlo' Carlo . P.M. . 6878 7 Hemminga Marcus . A. . 6878 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . BIPWUR . 6878 . . UU . 6878 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6878 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 14 6878 '1H chemical shifts' 35 6878 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 . . 2007-03-28 2005-10-25 original author . 6878 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6878 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16962559 _Citation.Full_citation . _Citation.Title ; Structure and localization of an essential transmembrane segment of the proton translocation channel of yeast H+-V-ATPase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1768 _Citation.Journal_issue 2 _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 218 _Citation.Page_last 227 _Citation.Year 2007 _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 Afonso Duarte . M. . 6878 1 2 Cor Wolfs . J. . 6878 1 3 'van Nuland' Nico . A. . 6878 1 4 Michael Harrison . A. . 6878 1 5 John Findlay . B. . 6878 1 6 Carlo 'van Mierlo' . P. . 6878 1 7 Marcus Hemminga . A. . 6878 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6878 _Assembly.ID 1 _Assembly.Name MTM7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 MTM7 1 $V-ATPase_subunit_a_putative_TM7 . . yes native no no . . . 6878 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_V-ATPase_subunit_a_putative_TM7 _Entity.Sf_category entity _Entity.Sf_framecode V-ATPase_subunit_a_putative_TM7 _Entity.Entry_ID 6878 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTM7 _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 ; IHTIEFCLNCVSHTASYLRL WALSLAHAQLSSVLWTM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-01-28 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 11056 . KMTM7 . . . . . 56.76 25 100.00 100.00 1.42e-03 . . . . 6878 1 2 no BMRB 15025 . sMTM7 . . . . . 67.57 25 100.00 100.00 6.99e-08 . . . . 6878 1 3 no PDB 2JTW . "Solution Structure Of Tm7 Bound To Dpc Micelles" . . . . . 56.76 25 100.00 100.00 1.42e-03 . . . . 6878 1 4 no PDB 2NVJ . "Nmr Structures Of Transmembrane Segment From Subunit A From The Yeast Proton V-Atpase" . . . . . 67.57 25 100.00 100.00 6.99e-08 . . . . 6878 1 5 no PDB 2RPW . "Structure Of A Peptide Derived From H+-V-Atpase Subunit A" . . . . . 56.76 25 100.00 100.00 1.42e-03 . . . . 6878 1 6 no DBJ GAA26581 . "K7_Vph1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 7 no EMBL CAA61776 . "vacuolar ATP synthase VPH1 [Saccharomyces cerevisiae]" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 8 no EMBL CAA99494 . "VPH1 [Saccharomyces cerevisiae]" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 9 no EMBL CAG58212 . "unnamed protein product [Candida glabrata]" . . . . . 100.00 889 97.30 100.00 2.61e-16 . . . . 6878 1 10 no EMBL CAG86124 . "DEHA2C08712p [Debaryomyces hansenii CBS767]" . . . . . 100.00 807 97.30 100.00 8.43e-16 . . . . 6878 1 11 no EMBL CAR21534 . "KLTH0B04268p [Lachancea thermotolerans CBS 6340]" . . . . . 100.00 866 97.30 100.00 3.25e-15 . . . . 6878 1 12 no GB AAA35211 . "vacuolar H+-ATPase subunit [Saccharomyces cerevisiae]" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 13 no GB ABN67012 . "vacuolar ATPase V0 domain subunit a [Scheffersomyces stipitis CBS 6054]" . . . . . 100.00 947 97.30 100.00 1.74e-16 . . . . 6878 1 14 no GB AHY77549 . "Vph1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 15 no GB EAZ63292 . "V0 domain of vacuolar H+ATPase [Scheffersomyces stipitis CBS 6054]" . . . . . 100.00 791 97.30 100.00 3.66e-15 . . . . 6878 1 16 no GB EDK38766 . "hypothetical protein PGUG_02864 [Meyerozyma guilliermondii ATCC 6260]" . . . . . 100.00 951 97.30 100.00 2.86e-16 . . . . 6878 1 17 no REF NP_014913 . "H(+)-transporting V0 sector ATPase subunit a [Saccharomyces cerevisiae S288c]" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 18 no REF XP_001385041 . "vacuolar ATPase V0 domain subunit a [Scheffersomyces stipitis CBS 6054]" . . . . . 100.00 947 97.30 100.00 1.74e-16 . . . . 6878 1 19 no REF XP_001387315 . "V0 domain of vacuolar H+ATPase [Scheffersomyces stipitis CBS 6054]" . . . . . 100.00 791 97.30 100.00 3.66e-15 . . . . 6878 1 20 no REF XP_001485135 . "hypothetical protein PGUG_02864 [Meyerozyma guilliermondii ATCC 6260]" . . . . . 100.00 951 97.30 100.00 2.94e-16 . . . . 6878 1 21 no REF XP_002493339 . "Subunit a of vacuolar-ATPase V0 domain, one of two isoforms (Vph1p and Stv1p) [Komagataella pastoris GS115]" . . . . . 100.00 804 97.30 100.00 5.68e-15 . . . . 6878 1 22 no SP P32563 . "RecName: Full=V-type proton ATPase subunit a, vacuolar isoform; Short=V-ATPase a 1 subunit; AltName: Full=V-ATPase 95 kDa subun" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 23 no TPG DAA11036 . "TPA: H(+)-transporting V0 sector ATPase subunit a [Saccharomyces cerevisiae S288c]" . . . . . 100.00 840 100.00 100.00 2.37e-16 . . . . 6878 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'proton translocation' 6878 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TM7 . 6878 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'subunit a' 6878 1 V-ATPase 6878 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 1 717 ILE . 6878 1 2 718 HIS . 6878 1 3 719 THR . 6878 1 4 720 ILE . 6878 1 5 721 GLU . 6878 1 6 722 PHE . 6878 1 7 723 CYS . 6878 1 8 724 LEU . 6878 1 9 725 ASN . 6878 1 10 726 CYS . 6878 1 11 727 VAL . 6878 1 12 728 SER . 6878 1 13 729 HIS . 6878 1 14 730 THR . 6878 1 15 731 ALA . 6878 1 16 732 SER . 6878 1 17 733 TYR . 6878 1 18 734 LEU . 6878 1 19 735 ARG . 6878 1 20 736 LEU . 6878 1 21 737 TRP . 6878 1 22 738 ALA . 6878 1 23 739 LEU . 6878 1 24 740 SER . 6878 1 25 741 LEU . 6878 1 26 742 ALA . 6878 1 27 743 HIS . 6878 1 28 744 ALA . 6878 1 29 745 GLN . 6878 1 30 746 LEU . 6878 1 31 747 SER . 6878 1 32 748 SER . 6878 1 33 749 VAL . 6878 1 34 750 LEU . 6878 1 35 751 TRP . 6878 1 36 752 THR . 6878 1 37 753 MET . 6878 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 . ILE 1 1 6878 1 . HIS 2 2 6878 1 . THR 3 3 6878 1 . ILE 4 4 6878 1 . GLU 5 5 6878 1 . PHE 6 6 6878 1 . CYS 7 7 6878 1 . LEU 8 8 6878 1 . ASN 9 9 6878 1 . CYS 10 10 6878 1 . VAL 11 11 6878 1 . SER 12 12 6878 1 . HIS 13 13 6878 1 . THR 14 14 6878 1 . ALA 15 15 6878 1 . SER 16 16 6878 1 . TYR 17 17 6878 1 . LEU 18 18 6878 1 . ARG 19 19 6878 1 . LEU 20 20 6878 1 . TRP 21 21 6878 1 . ALA 22 22 6878 1 . LEU 23 23 6878 1 . SER 24 24 6878 1 . LEU 25 25 6878 1 . ALA 26 26 6878 1 . HIS 27 27 6878 1 . ALA 28 28 6878 1 . GLN 29 29 6878 1 . LEU 30 30 6878 1 . SER 31 31 6878 1 . SER 32 32 6878 1 . VAL 33 33 6878 1 . LEU 34 34 6878 1 . TRP 35 35 6878 1 . THR 36 36 6878 1 . MET 37 37 6878 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 6878 _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 $V-ATPase_subunit_a_putative_TM7 . 4932 organism no 'Saccharomyces cerevisiae' yeast . . Eukaryota Metazoa Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6878 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 6878 _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 $V-ATPase_subunit_a_putative_TM7 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6878 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MTM7 _Sample.Sf_category sample _Sample.Sf_framecode MTM7 _Sample.Entry_ID 6878 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DMSO was used as solvent' _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 MTM7 . . . 1 $V-ATPase_subunit_a_putative_TM7 . . 2.0 . . nM . . . . 6878 1 2 DMSO . . . . . . . 100 . . % . . . . 6878 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6878 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample is in DMSO so no pH measurment is possible.' 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 . . pH 6878 1 temperature 310 . K 6878 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz _NMR_spectrometer.Entry_ID 6878 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 6878 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6878 _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-1H TOCSY' no . . . . . . . . . . 1 $MTM7 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6878 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $MTM7 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6878 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $MTM7 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6878 1 4 '2D 1H-13C HMBC' no . . . . . . . . . . 1 $MTM7 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6878 1 5 TOCSY no . . . . . . . . . . 1 $MTM7 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6878 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6878 _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 DMSO 'methyl carbons' . . . . ppm 39.5 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6878 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6878 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6878 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 5 TOCSY 1 $MTM7 isotropic 6878 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 3 3 THR H H 1 8.07 . . . . . . . 719 THR H . 6878 1 2 . 1 1 3 3 THR HA H 1 4.23 . . . . . . . 719 THR HA . 6878 1 3 . 1 1 3 3 THR CA C 13 60.00 . . . . . . . 719 THR CA . 6878 1 4 . 1 1 6 6 PHE H H 1 8.08 . . . . . . . 722 PHE H . 6878 1 5 . 1 1 6 6 PHE HA H 1 4.47 . . . . . . . 722 PHE HA . 6878 1 6 . 1 1 6 6 PHE CA C 13 62.06 . . . . . . . 722 PHE CA . 6878 1 7 . 1 1 9 9 ASN H H 1 7.90 . . . . . . . 725 ASN H . 6878 1 8 . 1 1 9 9 ASN HA H 1 4.59 . . . . . . . 725 ASN HA . 6878 1 9 . 1 1 9 9 ASN CA C 13 56.32 . . . . . . . 725 ASN CA . 6878 1 10 . 1 1 11 11 VAL H H 1 7.94 . . . . . . . 727 VAL H . 6878 1 11 . 1 1 11 11 VAL HA H 1 4.25 . . . . . . . 727 VAL HA . 6878 1 12 . 1 1 13 13 HIS H H 1 8.14 . . . . . . . 729 HIS H . 6878 1 13 . 1 1 13 13 HIS HA H 1 4.65 . . . . . . . 729 HIS HA . 6878 1 14 . 1 1 13 13 HIS CA C 13 61.64 . . . . . . . 729 HIS CA . 6878 1 15 . 1 1 14 14 THR H H 1 7.81 . . . . . . . 730 THR H . 6878 1 16 . 1 1 14 14 THR HA H 1 4.17 . . . . . . . 730 THR HA . 6878 1 17 . 1 1 15 15 ALA H H 1 8.17 . . . . . . . 731 ALA H . 6878 1 18 . 1 1 15 15 ALA HA H 1 4.28 . . . . . . . 731 ALA HA . 6878 1 19 . 1 1 15 15 ALA CA C 13 56.80 . . . . . . . 731 ALA CA . 6878 1 20 . 1 1 17 17 TYR H H 1 7.90 . . . . . . . 733 TYR H . 6878 1 21 . 1 1 17 17 TYR HA H 1 4.50 . . . . . . . 733 TYR HA . 6878 1 22 . 1 1 17 17 TYR CA C 13 61.96 . . . . . . . 733 TYR CA . 6878 1 23 . 1 1 19 19 ARG H H 1 7.67 . . . . . . . 735 ARG H . 6878 1 24 . 1 1 19 19 ARG HA H 1 4.13 . . . . . . . 735 ARG HA . 6878 1 25 . 1 1 19 19 ARG CA C 13 60.18 . . . . . . . 735 ARG CA . 6878 1 26 . 1 1 21 21 TRP H H 1 7.94 . . . . . . . 737 TRP H . 6878 1 27 . 1 1 21 21 TRP HA H 1 4.45 . . . . . . . 737 TRP HA . 6878 1 28 . 1 1 21 21 TRP CA C 13 60.18 . . . . . . . 737 TRP CA . 6878 1 29 . 1 1 22 22 ALA H H 1 8.06 . . . . . . . 738 ALA H . 6878 1 30 . 1 1 22 22 ALA HA H 1 4.29 . . . . . . . 738 ALA HA . 6878 1 31 . 1 1 22 22 ALA CA C 13 56.80 . . . . . . . 738 ALA CA . 6878 1 32 . 1 1 26 26 ALA H H 1 8.00 . . . . . . . 742 ALA H . 6878 1 33 . 1 1 26 26 ALA HA H 1 4.22 . . . . . . . 742 ALA HA . 6878 1 34 . 1 1 26 26 ALA CA C 13 65.33 . . . . . . . 742 ALA CA . 6878 1 35 . 1 1 27 27 HIS H H 1 8.01 . . . . . . . 743 HIS H . 6878 1 36 . 1 1 27 27 HIS HA H 1 4.49 . . . . . . . 743 HIS HA . 6878 1 37 . 1 1 28 28 ALA H H 1 7.79 . . . . . . . 744 ALA H . 6878 1 38 . 1 1 28 28 ALA HA H 1 4.25 . . . . . . . 744 ALA HA . 6878 1 39 . 1 1 28 28 ALA CA C 13 59.60 . . . . . . . 744 ALA CA . 6878 1 40 . 1 1 29 29 GLN H H 1 8.20 . . . . . . . 745 GLN H . 6878 1 41 . 1 1 29 29 GLN HA H 1 4.21 . . . . . . . 745 GLN HA . 6878 1 42 . 1 1 29 29 GLN CA C 13 66.60 . . . . . . . 745 GLN CA . 6878 1 43 . 1 1 33 33 VAL H H 1 7.76 . . . . . . . 749 VAL H . 6878 1 44 . 1 1 34 34 LEU H H 1 8.12 . . . . . . . 750 LEU H . 6878 1 45 . 1 1 34 34 LEU HA H 1 4.54 . . . . . . . 750 LEU HA . 6878 1 46 . 1 1 34 34 LEU CA C 13 57.90 . . . . . . . 750 LEU CA . 6878 1 47 . 1 1 36 36 THR H H 1 7.72 . . . . . . . 752 THR H . 6878 1 48 . 1 1 36 36 THR HA H 1 4.16 . . . . . . . 752 THR HA . 6878 1 49 . 1 1 36 36 THR CA C 13 61.80 . . . . . . . 752 THR CA . 6878 1 stop_ save_