data_52232 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52232 _Entry.Title ; Znf706 complex with cMyc DNA G4 qudruplex T1 and T2 relaxation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-05 _Entry.Accession_date 2023-12-05 _Entry.Last_release_date 2023-12-06 _Entry.Original_release_date 2023-12-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Bikash SAHOO . R. . 0000-0002-3683-1178 52232 2 James Bardwell . C.A. . 0000-0003-1683-1944 52232 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1_relaxation 1 52232 heteronucl_T2_relaxation 1 52232 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 53 52232 'T2 relaxation values' 53 52232 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 . . 2024-08-28 . original BMRB . 52232 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52229 'Human Znf706 15N-1H heteronuclear NOEs' 52232 BMRB 52230 'Human Znf706 complexed with cMyc DNA G4Quadruplex heteronuclear NOEs' 52232 BMRB 52231 'Znf706 T1 and T2 relaxation' 52232 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52232 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38572746 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Protein G-quadruplex interactions and their effects on phase transitions and protein aggregation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 52 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 4702 _Citation.Page_last 4722 _Citation.Year 2024 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bikash Sahoo B. R. . . 52232 1 2 Vojc Kocman V. . . . 52232 1 3 Nathan Clark N. . . . 52232 1 4 Nikhil Myers N. . . . 52232 1 5 Xiexiong Deng X. . . . 52232 1 6 Ee Wong E. L. . . 52232 1 7 Harry Yang H. J. . . 52232 1 8 Anita Kotar A. . . . 52232 1 9 Bryan Guzman B. B. . . 52232 1 10 Daniel Dominguez D. . . . 52232 1 11 Janez Plavec J. . . . 52232 1 12 James Bardwell . . . . 52232 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52232 _Assembly.ID 1 _Assembly.Name 'Znf706 complex with cMyc DNA G4 Quadruplex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 Znf706 1 $entity_1 . . yes native no no . . . 52232 1 2 'cMyc DNA G4 Quadruplex' 2 $entity_2 . . no native no no . . . 52232 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein interaction with G4 quadruplex and its activity on gene expression and protein aggregation.' 52232 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52232 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MARGQQKIQSQQKNAKKQAG QKKKQGHDQKAAAKAALIYT CTVCRTQMPDPKTFKQHFES KHPKTPLPPELADVQA ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _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 . 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 . MET . 52232 1 2 . ALA . 52232 1 3 . ARG . 52232 1 4 . GLY . 52232 1 5 . GLN . 52232 1 6 . GLN . 52232 1 7 . LYS . 52232 1 8 . ILE . 52232 1 9 . GLN . 52232 1 10 . SER . 52232 1 11 . GLN . 52232 1 12 . GLN . 52232 1 13 . LYS . 52232 1 14 . ASN . 52232 1 15 . ALA . 52232 1 16 . LYS . 52232 1 17 . LYS . 52232 1 18 . GLN . 52232 1 19 . ALA . 52232 1 20 . GLY . 52232 1 21 . GLN . 52232 1 22 . LYS . 52232 1 23 . LYS . 52232 1 24 . LYS . 52232 1 25 . GLN . 52232 1 26 . GLY . 52232 1 27 . HIS . 52232 1 28 . ASP . 52232 1 29 . GLN . 52232 1 30 . LYS . 52232 1 31 . ALA . 52232 1 32 . ALA . 52232 1 33 . ALA . 52232 1 34 . LYS . 52232 1 35 . ALA . 52232 1 36 . ALA . 52232 1 37 . LEU . 52232 1 38 . ILE . 52232 1 39 . TYR . 52232 1 40 . THR . 52232 1 41 . CYS . 52232 1 42 . THR . 52232 1 43 . VAL . 52232 1 44 . CYS . 52232 1 45 . ARG . 52232 1 46 . THR . 52232 1 47 . GLN . 52232 1 48 . MET . 52232 1 49 . PRO . 52232 1 50 . ASP . 52232 1 51 . PRO . 52232 1 52 . LYS . 52232 1 53 . THR . 52232 1 54 . PHE . 52232 1 55 . LYS . 52232 1 56 . GLN . 52232 1 57 . HIS . 52232 1 58 . PHE . 52232 1 59 . GLU . 52232 1 60 . SER . 52232 1 61 . LYS . 52232 1 62 . HIS . 52232 1 63 . PRO . 52232 1 64 . LYS . 52232 1 65 . THR . 52232 1 66 . PRO . 52232 1 67 . LEU . 52232 1 68 . PRO . 52232 1 69 . PRO . 52232 1 70 . GLU . 52232 1 71 . LEU . 52232 1 72 . ALA . 52232 1 73 . ASP . 52232 1 74 . VAL . 52232 1 75 . GLN . 52232 1 76 . ALA . 52232 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 . MET 1 1 52232 1 . ALA 2 2 52232 1 . ARG 3 3 52232 1 . GLY 4 4 52232 1 . GLN 5 5 52232 1 . GLN 6 6 52232 1 . LYS 7 7 52232 1 . ILE 8 8 52232 1 . GLN 9 9 52232 1 . SER 10 10 52232 1 . GLN 11 11 52232 1 . GLN 12 12 52232 1 . LYS 13 13 52232 1 . ASN 14 14 52232 1 . ALA 15 15 52232 1 . LYS 16 16 52232 1 . LYS 17 17 52232 1 . GLN 18 18 52232 1 . ALA 19 19 52232 1 . GLY 20 20 52232 1 . GLN 21 21 52232 1 . LYS 22 22 52232 1 . LYS 23 23 52232 1 . LYS 24 24 52232 1 . GLN 25 25 52232 1 . GLY 26 26 52232 1 . HIS 27 27 52232 1 . ASP 28 28 52232 1 . GLN 29 29 52232 1 . LYS 30 30 52232 1 . ALA 31 31 52232 1 . ALA 32 32 52232 1 . ALA 33 33 52232 1 . LYS 34 34 52232 1 . ALA 35 35 52232 1 . ALA 36 36 52232 1 . LEU 37 37 52232 1 . ILE 38 38 52232 1 . TYR 39 39 52232 1 . THR 40 40 52232 1 . CYS 41 41 52232 1 . THR 42 42 52232 1 . VAL 43 43 52232 1 . CYS 44 44 52232 1 . ARG 45 45 52232 1 . THR 46 46 52232 1 . GLN 47 47 52232 1 . MET 48 48 52232 1 . PRO 49 49 52232 1 . ASP 50 50 52232 1 . PRO 51 51 52232 1 . LYS 52 52 52232 1 . THR 53 53 52232 1 . PHE 54 54 52232 1 . LYS 55 55 52232 1 . GLN 56 56 52232 1 . HIS 57 57 52232 1 . PHE 58 58 52232 1 . GLU 59 59 52232 1 . SER 60 60 52232 1 . LYS 61 61 52232 1 . HIS 62 62 52232 1 . PRO 63 63 52232 1 . LYS 64 64 52232 1 . THR 65 65 52232 1 . PRO 66 66 52232 1 . LEU 67 67 52232 1 . PRO 68 68 52232 1 . PRO 69 69 52232 1 . GLU 70 70 52232 1 . LEU 71 71 52232 1 . ALA 72 72 52232 1 . ASP 73 73 52232 1 . VAL 74 74 52232 1 . GLN 75 75 52232 1 . ALA 76 76 52232 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52232 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAGGGAGGGTAGGGAGGGT ; _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 "cMyc DNA G-quadruplex (5'-TAG GGA GGG TAG GGA GGG T-3')" _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DT . 52232 2 2 . DA . 52232 2 3 . DG . 52232 2 4 . DG . 52232 2 5 . DG . 52232 2 6 . DA . 52232 2 7 . DG . 52232 2 8 . DG . 52232 2 9 . DG . 52232 2 10 . DT . 52232 2 11 . DA . 52232 2 12 . DG . 52232 2 13 . DG . 52232 2 14 . DG . 52232 2 15 . DA . 52232 2 16 . DG . 52232 2 17 . DG . 52232 2 18 . DG . 52232 2 19 . DT . 52232 2 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 . DT 1 1 52232 2 . DA 2 2 52232 2 . DG 3 3 52232 2 . DG 4 4 52232 2 . DG 5 5 52232 2 . DA 6 6 52232 2 . DG 7 7 52232 2 . DG 8 8 52232 2 . DG 9 9 52232 2 . DT 10 10 52232 2 . DA 11 11 52232 2 . DG 12 12 52232 2 . DG 13 13 52232 2 . DG 14 14 52232 2 . DA 15 15 52232 2 . DG 16 16 52232 2 . DG 17 17 52232 2 . DG 18 18 52232 2 . DT 19 19 52232 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52232 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52232 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52232 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 52232 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52232 _Sample.ID 1 _Sample.Name 'Znf706 complex with cMyc DNA G4 Quadruplex' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 0 _Sample.Solvent_system '92.5% H2O/7.5% 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 'Znf706 complex with cMyc DNA G4 Quadruplex' '[U-100% 15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 52232 1 2 "cMyc DNA G-quadruplex (5'-TAG GGA GGG TAG GGA GGG T-3' )" 'natural abundance' . . 2 $entity_2 . . 0.1 . . mM . . . . 52232 1 3 'Sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 52232 1 4 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 52232 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 52232 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Protein and G4 quadruplex in sodium phosophate buffer' _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 'ionic strength' 0.1 . M 52232 1 pH 7.4 . pH 52232 1 pressure 1 . atm 52232 1 temperature 277.1 . K 52232 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52232 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52232 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52232 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600 MHz w/cryoprobe BioNMR Core University of Michigan' _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_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52232 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52232 1 2 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52232 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52232 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name '20, 50, 90, 130, 200, 320, 450, 580, 750, 900, 1200, 2005 ms' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 'T1/R1 relaxation' . . . 52232 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 52232 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 707.3 95.5 . . . . . 52232 1 2 . 1 1 5 5 GLN N N 15 749.8 27.6 . . . . . 52232 1 3 . 1 1 6 6 GLN N N 15 655.8 32.4 . . . . . 52232 1 4 . 1 1 7 7 LYS N N 15 701.7 41.5 . . . . . 52232 1 5 . 1 1 10 10 SER N N 15 765 57.3 . . . . . 52232 1 6 . 1 1 11 11 GLN N N 15 692.9 111 . . . . . 52232 1 7 . 1 1 12 12 GLN N N 15 716.5 65.3 . . . . . 52232 1 8 . 1 1 14 14 ASN N N 15 757.6 86.8 . . . . . 52232 1 9 . 1 1 15 15 ALA N N 15 726.4 32.4 . . . . . 52232 1 10 . 1 1 16 16 LYS N N 15 764.7 42.6 . . . . . 52232 1 11 . 1 1 17 17 LYS N N 15 703 56.5 . . . . . 52232 1 12 . 1 1 18 18 GLN N N 15 731.4 46.6 . . . . . 52232 1 13 . 1 1 19 19 ALA N N 15 736.7 19.6 . . . . . 52232 1 14 . 1 1 20 20 GLY N N 15 799.8 76 . . . . . 52232 1 15 . 1 1 21 21 GLN N N 15 764.6 31.7 . . . . . 52232 1 16 . 1 1 22 22 LYS N N 15 690.3 72.9 . . . . . 52232 1 17 . 1 1 23 23 LYS N N 15 694.4 30.2 . . . . . 52232 1 18 . 1 1 24 24 LYS N N 15 680.1 32.2 . . . . . 52232 1 19 . 1 1 25 25 GLN N N 15 748.6 23 . . . . . 52232 1 20 . 1 1 26 26 GLY N N 15 746.2 53.6 . . . . . 52232 1 21 . 1 1 27 27 HIS N N 15 725 45.4 . . . . . 52232 1 22 . 1 1 28 28 ASP N N 15 733.2 66.5 . . . . . 52232 1 23 . 1 1 29 29 GLN N N 15 733.2 70.8 . . . . . 52232 1 24 . 1 1 31 31 ALA N N 15 745.6 38.4 . . . . . 52232 1 25 . 1 1 32 32 ALA N N 15 728.9 42.2 . . . . . 52232 1 26 . 1 1 33 33 ALA N N 15 743.1 34.7 . . . . . 52232 1 27 . 1 1 34 34 LYS N N 15 756 22.4 . . . . . 52232 1 28 . 1 1 35 35 ALA N N 15 701.5 20 . . . . . 52232 1 29 . 1 1 36 36 ALA N N 15 798 21.3 . . . . . 52232 1 30 . 1 1 37 37 LEU N N 15 821 16.8 . . . . . 52232 1 31 . 1 1 38 38 ILE N N 15 845.1 17.2 . . . . . 52232 1 32 . 1 1 39 39 TYR N N 15 743.3 18.2 . . . . . 52232 1 33 . 1 1 40 40 THR N N 15 798.2 24 . . . . . 52232 1 34 . 1 1 41 41 CYS N N 15 731.5 20.4 . . . . . 52232 1 35 . 1 1 44 44 CYS N N 15 869.7 31.1 . . . . . 52232 1 36 . 1 1 46 46 THR N N 15 797.4 62.5 . . . . . 52232 1 37 . 1 1 47 47 GLN N N 15 825.8 36.4 . . . . . 52232 1 38 . 1 1 48 48 MET N N 15 839.7 61.2 . . . . . 52232 1 39 . 1 1 56 56 GLN N N 15 826.7 22.3 . . . . . 52232 1 40 . 1 1 57 57 HIS N N 15 827.7 77.2 . . . . . 52232 1 41 . 1 1 58 58 PHE N N 15 769 43.6 . . . . . 52232 1 42 . 1 1 59 59 GLU N N 15 881.1 52.6 . . . . . 52232 1 43 . 1 1 60 60 SER N N 15 906.9 46.8 . . . . . 52232 1 44 . 1 1 61 61 LYS N N 15 824.5 32.9 . . . . . 52232 1 45 . 1 1 62 62 HIS N N 15 767.6 43.5 . . . . . 52232 1 46 . 1 1 67 67 LEU N N 15 800.9 8.98 . . . . . 52232 1 47 . 1 1 70 70 GLU N N 15 702.2 18.4 . . . . . 52232 1 48 . 1 1 71 71 LEU N N 15 703.2 11.7 . . . . . 52232 1 49 . 1 1 72 72 ALA N N 15 683.2 17.6 . . . . . 52232 1 50 . 1 1 73 73 ASP N N 15 696.2 16 . . . . . 52232 1 51 . 1 1 74 74 VAL N N 15 703.2 16.7 . . . . . 52232 1 52 . 1 1 75 75 GLN N N 15 706.3 15.3 . . . . . 52232 1 53 . 1 1 76 76 ALA N N 15 817.5 17.7 . . . . . 52232 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 52232 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name '16.96, 50.88, 84.80, 135.68, 169.60, 220.48, 305.28, 373.12, 457.92, 542.72, 678.40, 1356.80 ms' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 52232 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 52232 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 60.35 6.3 . . . . . . . 52232 1 2 . 1 1 5 5 GLN N N 15 219.7 5.91 . . . . . . . 52232 1 3 . 1 1 6 6 GLN N N 15 38.49 2.48 . . . . . . . 52232 1 4 . 1 1 7 7 LYS N N 15 55.95 1.02 . . . . . . . 52232 1 5 . 1 1 8 8 ILE N N 15 47.6 2.79 . . . . . . . 52232 1 6 . 1 1 10 10 SER N N 15 40.98 8.09 . . . . . . . 52232 1 7 . 1 1 12 12 GLN N N 15 72.21 0.887 . . . . . . . 52232 1 8 . 1 1 14 14 ASN N N 15 62.23 3.15 . . . . . . . 52232 1 9 . 1 1 15 15 ALA N N 15 53.5 2.61 . . . . . . . 52232 1 10 . 1 1 16 16 LYS N N 15 47.74 2.98 . . . . . . . 52232 1 11 . 1 1 17 17 LYS N N 15 71.3 4.68 . . . . . . . 52232 1 12 . 1 1 18 18 GLN N N 15 47.05 1.87 . . . . . . . 52232 1 13 . 1 1 19 19 ALA N N 15 66.26 0.332 . . . . . . . 52232 1 14 . 1 1 20 20 GLY N N 15 65 2.7 . . . . . . . 52232 1 15 . 1 1 21 21 GLN N N 15 83.14 3.67 . . . . . . . 52232 1 16 . 1 1 22 22 LYS N N 15 56.89 1.41 . . . . . . . 52232 1 17 . 1 1 23 23 LYS N N 15 78.68 2.3 . . . . . . . 52232 1 18 . 1 1 24 24 LYS N N 15 45.31 7.52 . . . . . . . 52232 1 19 . 1 1 25 25 GLN N N 15 40.89 2.33 . . . . . . . 52232 1 20 . 1 1 26 26 GLY N N 15 83.76 3.08 . . . . . . . 52232 1 21 . 1 1 27 27 HIS N N 15 64.27 1.94 . . . . . . . 52232 1 22 . 1 1 28 28 ASP N N 15 79.18 2.17 . . . . . . . 52232 1 23 . 1 1 29 29 GLN N N 15 79.18 2.68 . . . . . . . 52232 1 24 . 1 1 31 31 ALA N N 15 44.3 3.44 . . . . . . . 52232 1 25 . 1 1 32 32 ALA N N 15 79.89 0.571 . . . . . . . 52232 1 26 . 1 1 33 33 ALA N N 15 78.04 1.42 . . . . . . . 52232 1 27 . 1 1 34 34 LYS N N 15 79.36 1.39 . . . . . . . 52232 1 28 . 1 1 35 35 ALA N N 15 73.55 1.48 . . . . . . . 52232 1 29 . 1 1 36 36 ALA N N 15 74.56 0.895 . . . . . . . 52232 1 30 . 1 1 37 37 LEU N N 15 70.96 2.13 . . . . . . . 52232 1 31 . 1 1 38 38 ILE N N 15 59.61 1.17 . . . . . . . 52232 1 32 . 1 1 39 39 TYR N N 15 50.39 2.1 . . . . . . . 52232 1 33 . 1 1 40 40 THR N N 15 58.23 2.11 . . . . . . . 52232 1 34 . 1 1 41 41 CYS N N 15 55.08 2.12 . . . . . . . 52232 1 35 . 1 1 44 44 CYS N N 15 48.96 0.592 . . . . . . . 52232 1 36 . 1 1 46 46 THR N N 15 38.95 0.735 . . . . . . . 52232 1 37 . 1 1 47 47 GLN N N 15 51.39 2.04 . . . . . . . 52232 1 38 . 1 1 48 48 MET N N 15 48.99 1.82 . . . . . . . 52232 1 39 . 1 1 56 56 GLN N N 15 43.08 1.5 . . . . . . . 52232 1 40 . 1 1 57 57 HIS N N 15 49.52 2.22 . . . . . . . 52232 1 41 . 1 1 58 58 PHE N N 15 43.98 2.71 . . . . . . . 52232 1 42 . 1 1 59 59 GLU N N 15 42.63 1.06 . . . . . . . 52232 1 43 . 1 1 60 60 SER N N 15 45.45 0.715 . . . . . . . 52232 1 44 . 1 1 61 61 LYS N N 15 47.11 2.73 . . . . . . . 52232 1 45 . 1 1 62 62 HIS N N 15 59.09 2.53 . . . . . . . 52232 1 46 . 1 1 67 67 LEU N N 15 66.15 0.457 . . . . . . . 52232 1 47 . 1 1 70 70 GLU N N 15 59.68 1.23 . . . . . . . 52232 1 48 . 1 1 71 71 LEU N N 15 44.64 1.08 . . . . . . . 52232 1 49 . 1 1 72 72 ALA N N 15 75.5 0.747 . . . . . . . 52232 1 50 . 1 1 73 73 ASP N N 15 79.01 0.945 . . . . . . . 52232 1 51 . 1 1 74 74 VAL N N 15 138.5 4.4 . . . . . . . 52232 1 52 . 1 1 75 75 GLN N N 15 120.6 2.6 . . . . . . . 52232 1 53 . 1 1 76 76 ALA N N 15 180.5 2.68 . . . . . . . 52232 1 stop_ save_