data_6568 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6568 _Entry.Title ; Measles virus P protein (amino acids 457-407) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-24 _Entry.Accession_date 2005-03-28 _Entry.Last_release_date 2005-06-03 _Entry.Original_release_date 2005-06-03 _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 Richard Kingston . L . 6568 2 Damon Hamel . J . 6568 3 Leslie Gay . S . 6568 4 Frederick Dahlquist . W . 6568 5 Brian Matthews . W . 6568 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6568 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 49 6568 '1H chemical shifts' 48 6568 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 . . 2005-06-03 2005-03-24 original author . 6568 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6566 'N protein' 6568 . 6567 'N protein bound to the measles virus P protein' 6568 . 6569 'P protein bound to the measles virus N protein' 6568 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6568 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15159535 _Citation.Full_citation . _Citation.Title 'Structural basis for the attachment of a paramyxoviral polymerase to its template' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 22 _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 8301 _Citation.Page_last 8306 _Citation.Year 2004 _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 Richard Kingston . L. . 6568 1 2 Damon Hamel . J. . 6568 1 3 Leslie Gay . S. . 6568 1 4 Frederick Dahlquist . W. . 6568 1 5 Brian Matthews . W. . 6568 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6568 _Assembly.ID 1 _Assembly.Name 'Measles virus P protein (amino acids 457-507)' _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 'not present' _Assembly.Molecular_mass 5879 _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 protein 6568 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 'Measles virus P protein (amino acids 457-507)' 1 $measles_virus_P_protein_(amino_acids_457-507) . . yes native no no . . . 6568 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_measles_virus_P_protein_(amino_acids_457-507) _Entity.Sf_category entity _Entity.Sf_framecode measles_virus_P_protein_(amino_acids_457-507) _Entity.Entry_ID 6568 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'measles virus P protein (amino acids 457-507)' _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 ; GGASRSVIRSIIKSSRLEED RKRYLMTLLDDIKGANDLAK FHQMLMKIIMK ; _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 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 5879 _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 15993 . XD . . . . . 86.27 44 97.73 100.00 1.71e-20 . . . . 6568 1 2 no BMRB 15994 . XD . . . . . 86.27 44 97.73 100.00 1.71e-20 . . . . 6568 1 3 no BMRB 16000 . XD_domain . . . . . 86.27 44 97.73 100.00 1.98e-20 . . . . 6568 1 4 no BMRB 6567 . Measles_virus_P_protein_(amino_acids_457-507) . . . . . 100.00 51 100.00 100.00 2.48e-26 . . . . 6568 1 5 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 51 100.00 100.00 2.48e-26 . . . . 6568 1 6 no PDB 2K9D . "Solution Structure Of The Domain X Of Measle Phosphoprotein" . . . . . 86.27 44 97.73 100.00 1.98e-20 . . . . 6568 1 7 no DBJ BAA09955 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.91e-24 . . . . 6568 1 8 no DBJ BAA09962 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.91e-24 . . . . 6568 1 9 no DBJ BAA33868 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.41e-24 . . . . 6568 1 10 no DBJ BAA33874 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.91e-24 . . . . 6568 1 11 no DBJ BAA34978 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.13e-24 . . . . 6568 1 12 no EMBL CAA34578 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.13e-24 . . . . 6568 1 13 no EMBL CAA34585 . "unnamed protein product [Measles virus]" . . . . . 100.00 507 98.04 98.04 1.13e-23 . . . . 6568 1 14 no EMBL CAA91364 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 1.00e-23 . . . . 6568 1 15 no EMBL CAQ15998 . "phosphoprotein [Measles virus MVi/Ibadan.NIE/8.98/9]" . . . . . 100.00 507 98.04 98.04 1.06e-23 . . . . 6568 1 16 no EMBL CAQ15999 . "phosphoprotein [Measles virus MVi/Ibadan.NIE/9.98/5]" . . . . . 100.00 507 98.04 98.04 1.03e-23 . . . . 6568 1 17 no GB AAA46434 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 1.00e-23 . . . . 6568 1 18 no GB AAA46435 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.04e-24 . . . . 6568 1 19 no GB AAA46437 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.71e-24 . . . . 6568 1 20 no GB AAA63286 . "P protein [Measles virus]" . . . . . 100.00 507 98.04 98.04 1.01e-23 . . . . 6568 1 21 no GB AAA75495 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 1.01e-23 . . . . 6568 1 22 no REF NP_056919 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 98.04 98.04 9.13e-24 . . . . 6568 1 23 no SP P03422 . "RecName: Full=Phosphoprotein; Short=Protein P [Measles virus strain Edmonston]" . . . . . 100.00 507 98.04 98.04 9.71e-24 . . . . 6568 1 24 no SP P35974 . "RecName: Full=Phosphoprotein; Short=Protein P [Measles virus strain AIK-C]" . . . . . 100.00 507 98.04 98.04 9.41e-24 . . . . 6568 1 25 no SP Q9WMB4 . "RecName: Full=Phosphoprotein; Short=Protein P [Measles virus strain Ichinose-B95a]" . . . . . 100.00 507 98.04 98.04 9.13e-24 . . . . 6568 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 1 457 GLY . 6568 1 2 458 GLY . 6568 1 3 459 ALA . 6568 1 4 460 SER . 6568 1 5 461 ARG . 6568 1 6 462 SER . 6568 1 7 463 VAL . 6568 1 8 464 ILE . 6568 1 9 465 ARG . 6568 1 10 466 SER . 6568 1 11 467 ILE . 6568 1 12 468 ILE . 6568 1 13 469 LYS . 6568 1 14 470 SER . 6568 1 15 471 SER . 6568 1 16 472 ARG . 6568 1 17 473 LEU . 6568 1 18 474 GLU . 6568 1 19 475 GLU . 6568 1 20 476 ASP . 6568 1 21 477 ARG . 6568 1 22 478 LYS . 6568 1 23 479 ARG . 6568 1 24 480 TYR . 6568 1 25 481 LEU . 6568 1 26 482 MET . 6568 1 27 483 THR . 6568 1 28 484 LEU . 6568 1 29 485 LEU . 6568 1 30 486 ASP . 6568 1 31 487 ASP . 6568 1 32 488 ILE . 6568 1 33 489 LYS . 6568 1 34 490 GLY . 6568 1 35 491 ALA . 6568 1 36 492 ASN . 6568 1 37 493 ASP . 6568 1 38 494 LEU . 6568 1 39 495 ALA . 6568 1 40 496 LYS . 6568 1 41 497 PHE . 6568 1 42 498 HIS . 6568 1 43 499 GLN . 6568 1 44 500 MET . 6568 1 45 501 LEU . 6568 1 46 502 MET . 6568 1 47 503 LYS . 6568 1 48 504 ILE . 6568 1 49 505 ILE . 6568 1 50 506 MET . 6568 1 51 507 LYS . 6568 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 6568 1 . GLY 2 2 6568 1 . ALA 3 3 6568 1 . SER 4 4 6568 1 . ARG 5 5 6568 1 . SER 6 6 6568 1 . VAL 7 7 6568 1 . ILE 8 8 6568 1 . ARG 9 9 6568 1 . SER 10 10 6568 1 . ILE 11 11 6568 1 . ILE 12 12 6568 1 . LYS 13 13 6568 1 . SER 14 14 6568 1 . SER 15 15 6568 1 . ARG 16 16 6568 1 . LEU 17 17 6568 1 . GLU 18 18 6568 1 . GLU 19 19 6568 1 . ASP 20 20 6568 1 . ARG 21 21 6568 1 . LYS 22 22 6568 1 . ARG 23 23 6568 1 . TYR 24 24 6568 1 . LEU 25 25 6568 1 . MET 26 26 6568 1 . THR 27 27 6568 1 . LEU 28 28 6568 1 . LEU 29 29 6568 1 . ASP 30 30 6568 1 . ASP 31 31 6568 1 . ILE 32 32 6568 1 . LYS 33 33 6568 1 . GLY 34 34 6568 1 . ALA 35 35 6568 1 . ASN 36 36 6568 1 . ASP 37 37 6568 1 . LEU 38 38 6568 1 . ALA 39 39 6568 1 . LYS 40 40 6568 1 . PHE 41 41 6568 1 . HIS 42 42 6568 1 . GLN 43 43 6568 1 . MET 44 44 6568 1 . LEU 45 45 6568 1 . MET 46 46 6568 1 . LYS 47 47 6568 1 . ILE 48 48 6568 1 . ILE 49 49 6568 1 . MET 50 50 6568 1 . LYS 51 51 6568 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 6568 _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 $measles_virus_P_protein_(amino_acids_457-507) . 11234 virus . . 'measles virus, Moraten vaccine strain' . . Viruses 'Not applicable' Morbillivirus 'Measles virus' . . . . . . . . . . . . . . . . . . . . . 6568 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 6568 _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 $measles_virus_P_protein_(amino_acids_457-507) . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6568 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6568 _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 'Measles virus P protein (amino acids 457-507)' [U-15N] 1 $assembly 1 $measles_virus_P_protein_(amino_acids_457-507) . . 0.23 . . mM . . . . 6568 1 2 'sodium phosphate' . . . . . . . 9 . . mM . . . . 6568 1 3 'sodium chloride' . . . . . . . 90 . . mM . . . . 6568 1 4 'sodium azide' . . . . . . . 0.01 . . %(w/v) . . . . 6568 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 6568 _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 0.1 pH 6568 1 pressure 1.0 0.1 atm 6568 1 temperature 293 1.0 K 6568 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6568 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6568 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6568 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 6568 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no 1 $1H15N_HSQC_(example) . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6568 1 2 '3D CBCA(CO)NH' no 1 $1H15N_HSQC_(example) . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6568 1 3 '3D H(CCO)NH' no 1 $1H15N_HSQC_(example) . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6568 1 4 '3D C(CO)NH' no 1 $1H15N_HSQC_(example) . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6568 1 5 '2D 1H-15N HSQC' no 1 $1H15N_HSQC_(example) . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6568 1 stop_ save_ save_1H15N_HSQC_(example) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC_(example) _NMR_spec_expt.Entry_ID 6568 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 6568 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6568 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6568 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6568 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 6568 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 6568 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 6568 1 2 $Sparky . . 6568 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 ALA H H 1 8.534 . . 1 . . . . 459 ALA H . 6568 1 2 . 1 1 3 3 ALA N N 15 123.560 . . 1 . . . . 459 ALA N . 6568 1 3 . 1 1 4 4 SER H H 1 8.882 . . 1 . . . . 460 SER H . 6568 1 4 . 1 1 4 4 SER N N 15 118.485 . . 1 . . . . 460 SER N . 6568 1 5 . 1 1 5 5 ARG H H 1 9.103 . . 1 . . . . 461 ARG H . 6568 1 6 . 1 1 5 5 ARG N N 15 122.083 . . 1 . . . . 461 ARG N . 6568 1 7 . 1 1 6 6 SER H H 1 8.361 . . 1 . . . . 462 SER H . 6568 1 8 . 1 1 6 6 SER N N 15 112.778 . . 1 . . . . 462 SER N . 6568 1 9 . 1 1 7 7 VAL H H 1 7.567 . . 1 . . . . 463 VAL H . 6568 1 10 . 1 1 7 7 VAL N N 15 125.237 . . 1 . . . . 463 VAL N . 6568 1 11 . 1 1 8 8 ILE H H 1 8.255 . . 1 . . . . 464 ILE H . 6568 1 12 . 1 1 8 8 ILE N N 15 120.892 . . 1 . . . . 464 ILE N . 6568 1 13 . 1 1 9 9 ARG H H 1 8.562 . . 1 . . . . 465 ARG H . 6568 1 14 . 1 1 9 9 ARG N N 15 119.589 . . 1 . . . . 465 ARG N . 6568 1 15 . 1 1 10 10 SER H H 1 7.763 . . 1 . . . . 466 SER H . 6568 1 16 . 1 1 10 10 SER N N 15 114.019 . . 1 . . . . 466 SER N . 6568 1 17 . 1 1 11 11 ILE H H 1 8.181 . . 1 . . . . 467 ILE H . 6568 1 18 . 1 1 11 11 ILE N N 15 124.678 . . 1 . . . . 467 ILE N . 6568 1 19 . 1 1 12 12 ILE H H 1 7.987 . . 1 . . . . 468 ILE H . 6568 1 20 . 1 1 12 12 ILE N N 15 118.491 . . 1 . . . . 468 ILE N . 6568 1 21 . 1 1 13 13 LYS H H 1 8.526 . . 1 . . . . 469 LYS H . 6568 1 22 . 1 1 13 13 LYS N N 15 119.584 . . 1 . . . . 469 LYS N . 6568 1 23 . 1 1 14 14 SER H H 1 8.080 . . 1 . . . . 470 SER H . 6568 1 24 . 1 1 14 14 SER N N 15 111.627 . . 1 . . . . 470 SER N . 6568 1 25 . 1 1 15 15 SER H H 1 7.439 . . 1 . . . . 471 SER H . 6568 1 26 . 1 1 15 15 SER N N 15 118.069 . . 1 . . . . 471 SER N . 6568 1 27 . 1 1 16 16 ARG H H 1 9.006 . . 1 . . . . 472 ARG H . 6568 1 28 . 1 1 16 16 ARG N N 15 117.665 . . 1 . . . . 472 ARG N . 6568 1 29 . 1 1 17 17 LEU H H 1 7.038 . . 1 . . . . 473 LEU H . 6568 1 30 . 1 1 17 17 LEU N N 15 119.235 . . 1 . . . . 473 LEU N . 6568 1 31 . 1 1 18 18 GLU H H 1 8.941 . . 1 . . . . 474 GLU H . 6568 1 32 . 1 1 18 18 GLU N N 15 119.909 . . 1 . . . . 474 GLU N . 6568 1 33 . 1 1 19 19 GLU H H 1 9.070 . . 1 . . . . 475 GLU H . 6568 1 34 . 1 1 19 19 GLU N N 15 123.034 . . 1 . . . . 475 GLU N . 6568 1 35 . 1 1 20 20 ASP H H 1 9.073 . . 1 . . . . 476 ASP H . 6568 1 36 . 1 1 20 20 ASP N N 15 116.987 . . 1 . . . . 476 ASP N . 6568 1 37 . 1 1 21 21 ARG H H 1 7.333 . . 1 . . . . 477 ARG H . 6568 1 38 . 1 1 21 21 ARG N N 15 122.124 . . 1 . . . . 477 ARG N . 6568 1 39 . 1 1 22 22 LYS H H 1 8.258 . . 1 . . . . 478 LYS H . 6568 1 40 . 1 1 22 22 LYS N N 15 118.924 . . 1 . . . . 478 LYS N . 6568 1 41 . 1 1 23 23 ARG H H 1 8.101 . . 1 . . . . 479 ARG H . 6568 1 42 . 1 1 23 23 ARG N N 15 117.166 . . 1 . . . . 479 ARG N . 6568 1 43 . 1 1 24 24 TYR H H 1 7.861 . . 1 . . . . 480 TYR H . 6568 1 44 . 1 1 24 24 TYR N N 15 121.121 . . 1 . . . . 480 TYR N . 6568 1 45 . 1 1 25 25 LEU H H 1 8.488 . . 1 . . . . 481 LEU H . 6568 1 46 . 1 1 25 25 LEU N N 15 119.499 . . 1 . . . . 481 LEU N . 6568 1 47 . 1 1 26 26 MET H H 1 8.539 . . 1 . . . . 482 MET H . 6568 1 48 . 1 1 26 26 MET N N 15 117.652 . . 1 . . . . 482 MET N . 6568 1 49 . 1 1 27 27 THR H H 1 7.917 . . 1 . . . . 483 THR H . 6568 1 50 . 1 1 27 27 THR N N 15 115.743 . . 1 . . . . 483 THR N . 6568 1 51 . 1 1 28 28 LEU H H 1 7.605 . . 1 . . . . 484 LEU H . 6568 1 52 . 1 1 28 28 LEU N N 15 122.046 . . 1 . . . . 484 LEU N . 6568 1 53 . 1 1 29 29 LEU H H 1 7.885 . . 1 . . . . 485 LEU H . 6568 1 54 . 1 1 29 29 LEU N N 15 119.992 . . 1 . . . . 485 LEU N . 6568 1 55 . 1 1 30 30 ASP H H 1 7.631 . . 1 . . . . 486 ASP H . 6568 1 56 . 1 1 30 30 ASP N N 15 117.212 . . 1 . . . . 486 ASP N . 6568 1 57 . 1 1 31 31 ASP N N 15 117.681 . . 1 . . . . 487 ASP N . 6568 1 58 . 1 1 32 32 ILE H H 1 7.389 . . 1 . . . . 488 ILE H . 6568 1 59 . 1 1 32 32 ILE N N 15 121.449 . . 1 . . . . 488 ILE N . 6568 1 60 . 1 1 33 33 LYS H H 1 9.144 . . 1 . . . . 489 LYS H . 6568 1 61 . 1 1 33 33 LYS N N 15 128.444 . . 1 . . . . 489 LYS N . 6568 1 62 . 1 1 34 34 GLY H H 1 8.315 . . 1 . . . . 490 GLY H . 6568 1 63 . 1 1 34 34 GLY N N 15 109.508 . . 1 . . . . 490 GLY N . 6568 1 64 . 1 1 35 35 ALA H H 1 8.160 . . 1 . . . . 491 ALA H . 6568 1 65 . 1 1 35 35 ALA N N 15 123.987 . . 1 . . . . 491 ALA N . 6568 1 66 . 1 1 36 36 ASN H H 1 7.942 . . 1 . . . . 492 ASN H . 6568 1 67 . 1 1 36 36 ASN N N 15 115.895 . . 1 . . . . 492 ASN N . 6568 1 68 . 1 1 37 37 ASP H H 1 8.433 . . 1 . . . . 493 ASP H . 6568 1 69 . 1 1 37 37 ASP N N 15 121.482 . . 1 . . . . 493 ASP N . 6568 1 70 . 1 1 38 38 LEU H H 1 8.206 . . 1 . . . . 494 LEU H . 6568 1 71 . 1 1 38 38 LEU N N 15 123.941 . . 1 . . . . 494 LEU N . 6568 1 72 . 1 1 39 39 ALA H H 1 7.922 . . 1 . . . . 495 ALA H . 6568 1 73 . 1 1 39 39 ALA N N 15 121.673 . . 1 . . . . 495 ALA N . 6568 1 74 . 1 1 40 40 LYS H H 1 7.888 . . 1 . . . . 496 LYS H . 6568 1 75 . 1 1 40 40 LYS N N 15 118.950 . . 1 . . . . 496 LYS N . 6568 1 76 . 1 1 41 41 PHE H H 1 8.282 . . 1 . . . . 497 PHE H . 6568 1 77 . 1 1 41 41 PHE N N 15 122.811 . . 1 . . . . 497 PHE N . 6568 1 78 . 1 1 42 42 HIS H H 1 8.894 . . 1 . . . . 498 HIS H . 6568 1 79 . 1 1 42 42 HIS N N 15 119.751 . . 1 . . . . 498 HIS N . 6568 1 80 . 1 1 43 43 GLN H H 1 8.014 . . 1 . . . . 499 GLN H . 6568 1 81 . 1 1 43 43 GLN N N 15 116.796 . . 1 . . . . 499 GLN N . 6568 1 82 . 1 1 44 44 MET H H 1 7.780 . . 1 . . . . 500 MET H . 6568 1 83 . 1 1 44 44 MET N N 15 120.785 . . 1 . . . . 500 MET N . 6568 1 84 . 1 1 45 45 LEU H H 1 8.520 . . 1 . . . . 501 LEU H . 6568 1 85 . 1 1 45 45 LEU N N 15 121.206 . . 1 . . . . 501 LEU N . 6568 1 86 . 1 1 46 46 MET H H 1 8.002 . . 1 . . . . 502 MET H . 6568 1 87 . 1 1 46 46 MET N N 15 114.735 . . 1 . . . . 502 MET N . 6568 1 88 . 1 1 47 47 LYS H H 1 7.322 . . 1 . . . . 503 LYS H . 6568 1 89 . 1 1 47 47 LYS N N 15 117.072 . . 1 . . . . 503 LYS N . 6568 1 90 . 1 1 48 48 ILE H H 1 7.621 . . 1 . . . . 504 ILE H . 6568 1 91 . 1 1 48 48 ILE N N 15 116.786 . . 1 . . . . 504 ILE N . 6568 1 92 . 1 1 49 49 ILE H H 1 7.889 . . 1 . . . . 505 ILE H . 6568 1 93 . 1 1 49 49 ILE N N 15 115.998 . . 1 . . . . 505 ILE N . 6568 1 94 . 1 1 50 50 MET H H 1 7.734 . . 1 . . . . 506 MET H . 6568 1 95 . 1 1 50 50 MET N N 15 120.329 . . 1 . . . . 506 MET N . 6568 1 96 . 1 1 51 51 LYS H H 1 7.621 . . 1 . . . . 507 LYS H . 6568 1 97 . 1 1 51 51 LYS N N 15 126.598 . . 1 . . . . 507 LYS N . 6568 1 stop_ save_