data_15993 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15993 _Entry.Title ; 1H-15N Backbone Chemical shifts Of the C-terminal part of the Phosphoprotein (XD) of Measle Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-20 _Entry.Accession_date 2008-10-20 _Entry.Last_release_date 2009-04-03 _Entry.Original_release_date 2009-04-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1H-15N Backbone Chemical shifts Of the C-terminal part of the Phosphoprotein (XD) of Measle Virus' _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 Cedric Bernard . . . 15993 2 'Jean Marie' Bourhis . . . 15993 3 Stephane Gely . . . 15993 4 Xavier Morelli . . . 15993 5 Sonia Longhi . . . 15993 6 Herv Darbon . . . 15993 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15993 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 43 15993 '1H chemical shifts' 43 15993 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 . . 2009-04-03 2008-10-20 original author . 15993 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15994 'XD Complex with C-Terminal Part of the Nucloeprotein.' 15993 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15993 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19275899 _Citation.Full_citation . _Citation.Title 'Interaction between the C-terminal Domains Of N and P Proteins of measles virus investigated by NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS Lettets' _Citation.Journal_volume 583 _Citation.Journal_issue 7 _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 1084 _Citation.Page_last 1089 _Citation.Year 2009 _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 Cedric Bernard . . . 15993 1 2 Stephane Gely . . . 15993 1 3 Jean-Marie Bourhis . . . 15993 1 4 Xavier Morelli . . . 15993 1 5 Sonia Longhi . . . 15993 1 6 Herv Darbon . . . 15993 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15993 _Assembly.ID 1 _Assembly.Name XD _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 . _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 XD 1 $XD A . yes native no no . . . 15993 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XD _Entity.Sf_category entity _Entity.Sf_framecode XD _Entity.Entry_ID 15993 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XD _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 ; VIRSIIKSSRLEEDRKRYLM TLLDDIKGANDLAKFHQMLV KIIM ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 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 15994 . XD . . . . . 100.00 44 100.00 100.00 7.14e-21 . . . . 15993 1 2 no BMRB 16000 . XD_domain . . . . . 97.73 44 100.00 100.00 3.61e-20 . . . . 15993 1 3 no PDB 1T6O . "Nucleocapsid-Binding Domain Of The Measles Virus P Protein (Amino Acids 457-507) In Complex With Amino Acids 486-505 Of The Mea" . . . . . 100.00 51 97.73 100.00 2.16e-20 . . . . 15993 1 4 no PDB 2K9D . "Solution Structure Of The Domain X Of Measle Phosphoprotein" . . . . . 97.73 44 100.00 100.00 3.61e-20 . . . . 15993 1 5 no DBJ BAA09955 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 6 no DBJ BAA09962 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 7 no DBJ BAA33868 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 8 no DBJ BAA33874 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 9 no DBJ BAA34978 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 10 no EMBL CAA34578 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 11 no EMBL CAA34585 . "unnamed protein product [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 12 no EMBL CAA91364 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 13 no EMBL CAQ15998 . "phosphoprotein [Measles virus MVi/Ibadan.NIE/8.98/9]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 14 no EMBL CAQ15999 . "phosphoprotein [Measles virus MVi/Ibadan.NIE/9.98/5]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 15 no GB AAA46434 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 16 no GB AAA46435 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 17 no GB AAA46437 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 18 no GB AAA63284 . "P protein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 19 no GB AAA63285 . "P protein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 20 no REF NP_056919 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 21 no SP P03422 . "RecName: Full=Phosphoprotein; Short=Protein P" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 22 no SP P35974 . "RecName: Full=Phosphoprotein; Short=Protein P" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 1 23 no SP Q9WMB4 . "RecName: Full=Phosphoprotein; Short=Protein P" . . . . . 100.00 507 97.73 100.00 1.68e-19 . . . . 15993 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 . VAL . 15993 1 2 . ILE . 15993 1 3 . ARG . 15993 1 4 . SER . 15993 1 5 . ILE . 15993 1 6 . ILE . 15993 1 7 . LYS . 15993 1 8 . SER . 15993 1 9 . SER . 15993 1 10 . ARG . 15993 1 11 . LEU . 15993 1 12 . GLU . 15993 1 13 . GLU . 15993 1 14 . ASP . 15993 1 15 . ARG . 15993 1 16 . LYS . 15993 1 17 . ARG . 15993 1 18 . TYR . 15993 1 19 . LEU . 15993 1 20 . MET . 15993 1 21 . THR . 15993 1 22 . LEU . 15993 1 23 . LEU . 15993 1 24 . ASP . 15993 1 25 . ASP . 15993 1 26 . ILE . 15993 1 27 . LYS . 15993 1 28 . GLY . 15993 1 29 . ALA . 15993 1 30 . ASN . 15993 1 31 . ASP . 15993 1 32 . LEU . 15993 1 33 . ALA . 15993 1 34 . LYS . 15993 1 35 . PHE . 15993 1 36 . HIS . 15993 1 37 . GLN . 15993 1 38 . MET . 15993 1 39 . LEU . 15993 1 40 . VAL . 15993 1 41 . LYS . 15993 1 42 . ILE . 15993 1 43 . ILE . 15993 1 44 . MET . 15993 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 . VAL 1 1 15993 1 . ILE 2 2 15993 1 . ARG 3 3 15993 1 . SER 4 4 15993 1 . ILE 5 5 15993 1 . ILE 6 6 15993 1 . LYS 7 7 15993 1 . SER 8 8 15993 1 . SER 9 9 15993 1 . ARG 10 10 15993 1 . LEU 11 11 15993 1 . GLU 12 12 15993 1 . GLU 13 13 15993 1 . ASP 14 14 15993 1 . ARG 15 15 15993 1 . LYS 16 16 15993 1 . ARG 17 17 15993 1 . TYR 18 18 15993 1 . LEU 19 19 15993 1 . MET 20 20 15993 1 . THR 21 21 15993 1 . LEU 22 22 15993 1 . LEU 23 23 15993 1 . ASP 24 24 15993 1 . ASP 25 25 15993 1 . ILE 26 26 15993 1 . LYS 27 27 15993 1 . GLY 28 28 15993 1 . ALA 29 29 15993 1 . ASN 30 30 15993 1 . ASP 31 31 15993 1 . LEU 32 32 15993 1 . ALA 33 33 15993 1 . LYS 34 34 15993 1 . PHE 35 35 15993 1 . HIS 36 36 15993 1 . GLN 37 37 15993 1 . MET 38 38 15993 1 . LEU 39 39 15993 1 . VAL 40 40 15993 1 . LYS 41 41 15993 1 . ILE 42 42 15993 1 . ILE 43 43 15993 1 . MET 44 44 15993 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 15993 _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 $XD . 11234 virus . Morbillivirus Measles . . Viruses . Morbillivirus 'Measles virus' . . . . . . . . . . . . . . . . . . . . . 15993 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 15993 _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 $XD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 15993 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15993 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XD '[U-100% 15N]' . . 1 $XD . . 1.2 . . mM . . . . 15993 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15993 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15993 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 15993 _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 8 . pH 15993 1 pressure 1 . atm 15993 1 temperature 300 . K 15993 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15993 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15993 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15993 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15993 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15993 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15993 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15993 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15993 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15993 3 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 15993 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15993 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15993 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 Cryo-probe . . 15993 1 2 spectrometer_2 Bruker DRX . 500 . . . 15993 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 15993 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15993 1 2 '2D 1H-15N HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15993 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15993 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15993 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15993 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 15993 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'only backbone atoms are deposited' 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 4.689 na direct 1 . . . . . . . . . 15993 1 N 15 water protons . . . . ppm 4.698 na indirect . . . . . . . . . . 15993 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 15993 _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 '2D 1H-15N HSQC' . . . 15993 1 2 '2D 1H-15N HSQC-NOESY' . . . 15993 1 3 '2D 1H-1H TOCSY' . . . 15993 1 4 '2D 1H-1H NOESY' . . . 15993 1 5 '3D 1H-15N NOESY' . . . 15993 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 VAL H H 1 7.568 . . 1 . . . . 463 V HN . 15993 1 2 . 1 1 1 1 VAL N N 15 124.990 . . 1 . . . . 463 V N . 15993 1 3 . 1 1 2 2 ILE H H 1 8.230 . . 1 . . . . 464 I HN . 15993 1 4 . 1 1 2 2 ILE N N 15 120.553 . . 1 . . . . 464 I N . 15993 1 5 . 1 1 3 3 ARG H H 1 8.608 . . 1 . . . . 465 R HN . 15993 1 6 . 1 1 3 3 ARG N N 15 118.677 . . 1 . . . . 465 R N . 15993 1 7 . 1 1 4 4 SER H H 1 7.857 . . 1 . . . . 466 S HN . 15993 1 8 . 1 1 4 4 SER N N 15 114.311 . . 1 . . . . 466 S N . 15993 1 9 . 1 1 5 5 ILE H H 1 8.335 . . 1 . . . . 467 I HN . 15993 1 10 . 1 1 5 5 ILE N N 15 124.384 . . 1 . . . . 467 I N . 15993 1 11 . 1 1 6 6 ILE H H 1 8.204 . . 1 . . . . 468 I HN . 15993 1 12 . 1 1 6 6 ILE N N 15 118.479 . . 1 . . . . 468 I N . 15993 1 13 . 1 1 7 7 LYS H H 1 8.595 . . 1 . . . . 469 K HN . 15993 1 14 . 1 1 7 7 LYS N N 15 119.302 . . 1 . . . . 469 K N . 15993 1 15 . 1 1 8 8 SER H H 1 8.162 . . 1 . . . . 470 S HN . 15993 1 16 . 1 1 8 8 SER N N 15 111.766 . . 1 . . . . 470 S N . 15993 1 17 . 1 1 9 9 SER H H 1 7.529 . . 1 . . . . 471 S HN . 15993 1 18 . 1 1 9 9 SER N N 15 117.943 . . 1 . . . . 471 S N . 15993 1 19 . 1 1 10 10 ARG H H 1 9.338 . . 1 . . . . 472 R HN . 15993 1 20 . 1 1 10 10 ARG N N 15 118.011 . . 1 . . . . 472 R N . 15993 1 21 . 1 1 11 11 LEU H H 1 6.936 . . 1 . . . . 473 L HN . 15993 1 22 . 1 1 11 11 LEU N N 15 117.884 . . 1 . . . . 473 L N . 15993 1 23 . 1 1 12 12 GLU H H 1 9.227 . . 1 . . . . 474 E HN . 15993 1 24 . 1 1 12 12 GLU N N 15 119.961 . . 1 . . . . 474 E N . 15993 1 25 . 1 1 13 13 GLU H H 1 9.132 . . 1 . . . . 475 E HN . 15993 1 26 . 1 1 13 13 GLU N N 15 123.238 . . 1 . . . . 475 E N . 15993 1 27 . 1 1 14 14 ASP H H 1 9.111 . . 1 . . . . 476 D HN . 15993 1 28 . 1 1 14 14 ASP N N 15 116.704 . . 1 . . . . 476 D N . 15993 1 29 . 1 1 15 15 ARG H H 1 7.383 . . 1 . . . . 477 R HN . 15993 1 30 . 1 1 15 15 ARG N N 15 121.479 . . 1 . . . . 477 R N . 15993 1 31 . 1 1 16 16 LYS H H 1 8.325 . . 1 . . . . 478 K HN . 15993 1 32 . 1 1 16 16 LYS N N 15 119.187 . . 1 . . . . 478 K N . 15993 1 33 . 1 1 17 17 ARG H H 1 8.157 . . 1 . . . . 479 R HN . 15993 1 34 . 1 1 17 17 ARG N N 15 117.047 . . 1 . . . . 479 R N . 15993 1 35 . 1 1 18 18 TYR H H 1 7.934 . . 1 . . . . 480 Y HN . 15993 1 36 . 1 1 18 18 TYR N N 15 120.969 . . 1 . . . . 480 Y N . 15993 1 37 . 1 1 19 19 LEU H H 1 8.556 . . 1 . . . . 481 L HN . 15993 1 38 . 1 1 19 19 LEU N N 15 119.137 . . 1 . . . . 481 L N . 15993 1 39 . 1 1 20 20 MET H H 1 8.381 . . 1 . . . . 482 M HN . 15993 1 40 . 1 1 20 20 MET N N 15 117.261 . . 1 . . . . 482 M N . 15993 1 41 . 1 1 21 21 THR H H 1 7.991 . . 1 . . . . 483 T HN . 15993 1 42 . 1 1 21 21 THR N N 15 115.676 . . 1 . . . . 483 T N . 15993 1 43 . 1 1 22 22 LEU H H 1 7.936 . . 1 . . . . 484 L HN . 15993 1 44 . 1 1 22 22 LEU N N 15 122.157 . . 1 . . . . 484 L N . 15993 1 45 . 1 1 23 23 LEU H H 1 8.025 . . 1 . . . . 485 L HN . 15993 1 46 . 1 1 23 23 LEU N N 15 118.525 . . 1 . . . . 485 L N . 15993 1 47 . 1 1 24 24 ASP H H 1 7.486 . . 1 . . . . 486 D HN . 15993 1 48 . 1 1 24 24 ASP N N 15 117.162 . . 1 . . . . 486 D N . 15993 1 49 . 1 1 25 25 ASP H H 1 7.538 . . 1 . . . . 487 D HN . 15993 1 50 . 1 1 25 25 ASP N N 15 118.593 . . 1 . . . . 487 D N . 15993 1 51 . 1 1 26 26 ILE H H 1 7.550 . . 1 . . . . 488 I HN . 15993 1 52 . 1 1 26 26 ILE N N 15 121.728 . . 1 . . . . 488 I N . 15993 1 53 . 1 1 27 27 LYS H H 1 9.443 . . 1 . . . . 489 K HN . 15993 1 54 . 1 1 27 27 LYS N N 15 127.933 . . 1 . . . . 489 K N . 15993 1 55 . 1 1 28 28 GLY H H 1 8.763 . . 1 . . . . 490 G HN . 15993 1 56 . 1 1 28 28 GLY N N 15 112.504 . . 1 . . . . 490 G N . 15993 1 57 . 1 1 29 29 ALA H H 1 7.932 . . 1 . . . . 491 A HN . 15993 1 58 . 1 1 29 29 ALA N N 15 125.886 . . 1 . . . . 491 A N . 15993 1 59 . 1 1 30 30 ASN H H 1 8.375 . . 1 . . . . 492 N HN . 15993 1 60 . 1 1 30 30 ASN N N 15 118.503 . . 1 . . . . 492 N N . 15993 1 61 . 1 1 31 31 ASP H H 1 8.901 . . 1 . . . . 493 D HN . 15993 1 62 . 1 1 31 31 ASP N N 15 123.117 . . 1 . . . . 493 D N . 15993 1 63 . 1 1 32 32 LEU H H 1 8.239 . . 1 . . . . 494 L HN . 15993 1 64 . 1 1 32 32 LEU N N 15 122.294 . . 1 . . . . 494 L N . 15993 1 65 . 1 1 33 33 ALA H H 1 8.018 . . 1 . . . . 495 A HN . 15993 1 66 . 1 1 33 33 ALA N N 15 121.358 . . 1 . . . . 495 A N . 15993 1 67 . 1 1 34 34 LYS H H 1 7.974 . . 1 . . . . 496 K HN . 15993 1 68 . 1 1 34 34 LYS N N 15 119.384 . . 1 . . . . 496 K N . 15993 1 69 . 1 1 35 35 PHE H H 1 8.772 . . 1 . . . . 497 F HN . 15993 1 70 . 1 1 35 35 PHE N N 15 121.439 . . 1 . . . . 497 F N . 15993 1 71 . 1 1 36 36 HIS H H 1 8.827 . . 1 . . . . 498 H HN . 15993 1 72 . 1 1 36 36 HIS N N 15 118.260 . . 1 . . . . 498 H N . 15993 1 73 . 1 1 37 37 GLN H H 1 8.144 . . 1 . . . . 499 Q HN . 15993 1 74 . 1 1 37 37 GLN N N 15 116.291 . . 1 . . . . 499 Q N . 15993 1 75 . 1 1 38 38 MET H H 1 7.940 . . 1 . . . . 500 M HN . 15993 1 76 . 1 1 38 38 MET N N 15 117.445 . . 1 . . . . 500 M N . 15993 1 77 . 1 1 39 39 LEU H H 1 8.866 . . 1 . . . . 501 L HN . 15993 1 78 . 1 1 39 39 LEU N N 15 120.987 . . 1 . . . . 501 L N . 15993 1 79 . 1 1 40 40 VAL H H 1 8.196 . . 1 . . . . 502 V HN . 15993 1 80 . 1 1 40 40 VAL N N 15 116.383 . . 1 . . . . 502 V N . 15993 1 81 . 1 1 41 41 LYS H H 1 7.160 . . 1 . . . . 503 K HN . 15993 1 82 . 1 1 41 41 LYS N N 15 118.718 . . 1 . . . . 503 K N . 15993 1 83 . 1 1 42 42 ILE H H 1 8.052 . . 1 . . . . 504 I HN . 15993 1 84 . 1 1 42 42 ILE N N 15 120.232 . . 1 . . . . 504 I N . 15993 1 85 . 1 1 43 43 ILE H H 1 8.502 . . 1 . . . . 505 I HN . 15993 1 86 . 1 1 43 43 ILE N N 15 119.924 . . 1 . . . . 505 I N . 15993 1 stop_ save_