data_53597 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53597 _Entry.Title ; 1H-15N backbone assignment of the ssDNA-bound form of YB-1 refolded Cold Shock Domain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-03-03 _Entry.Accession_date 2026-03-03 _Entry.Last_release_date 2026-03-03 _Entry.Original_release_date 2026-03-03 _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 Daniela Grasso . . . . 53597 2 Vinayakumar Gedi . . . . 53597 3 Andrea Bernini . . . . 53597 4 Filippo Prischi . . . . 53597 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53597 spectral_peak_list 1 53597 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 88 53597 '1H chemical shifts' 82 53597 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 . . 2026-03-09 . original BMRB . 53597 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53596 '1H-15N backbone assignment of the free form of YB-1 refolded Cold Shock Domain.' 53597 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53597 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; DNA Binding to the Cold Shock Domain of YB1 Enables its Phosphorylation by RSK4 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Daniela Grasso . . . . 53597 1 2 Vinayakumar Gedi . . . . 53597 1 3 Andrea Bernini . . . . 53597 1 4 Filippo Prischi . . . . 53597 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53597 _Assembly.ID 1 _Assembly.Name 'Refolded Cold Shock domain + ssDNA' _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 'YB-1 rCSD' 1 $entity_1 . . yes native no no . . . 53597 1 2 ssDNA 2 $entity_2 . . no native no no . . . 53597 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53597 _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 ; GPMDKKVIATKVLGTVKWFN VRNGYGFINRNDTKEDVFVH QTAIKKNNPRKYLRSVGDGE TVEFDVVEGEKGAEAANVTG PGGVPVQGSKYAA ; _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 93 _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 . _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 48 GLY . 53597 1 2 49 PRO . 53597 1 3 50 MET . 53597 1 4 51 ASP . 53597 1 5 52 LYS . 53597 1 6 53 LYS . 53597 1 7 54 VAL . 53597 1 8 55 ILE . 53597 1 9 56 ALA . 53597 1 10 57 THR . 53597 1 11 58 LYS . 53597 1 12 59 VAL . 53597 1 13 60 LEU . 53597 1 14 61 GLY . 53597 1 15 62 THR . 53597 1 16 63 VAL . 53597 1 17 64 LYS . 53597 1 18 65 TRP . 53597 1 19 66 PHE . 53597 1 20 67 ASN . 53597 1 21 68 VAL . 53597 1 22 69 ARG . 53597 1 23 70 ASN . 53597 1 24 71 GLY . 53597 1 25 72 TYR . 53597 1 26 73 GLY . 53597 1 27 74 PHE . 53597 1 28 75 ILE . 53597 1 29 76 ASN . 53597 1 30 77 ARG . 53597 1 31 78 ASN . 53597 1 32 79 ASP . 53597 1 33 80 THR . 53597 1 34 81 LYS . 53597 1 35 82 GLU . 53597 1 36 83 ASP . 53597 1 37 84 VAL . 53597 1 38 85 PHE . 53597 1 39 86 VAL . 53597 1 40 87 HIS . 53597 1 41 88 GLN . 53597 1 42 89 THR . 53597 1 43 90 ALA . 53597 1 44 91 ILE . 53597 1 45 92 LYS . 53597 1 46 93 LYS . 53597 1 47 94 ASN . 53597 1 48 95 ASN . 53597 1 49 96 PRO . 53597 1 50 97 ARG . 53597 1 51 98 LYS . 53597 1 52 99 TYR . 53597 1 53 100 LEU . 53597 1 54 101 ARG . 53597 1 55 102 SER . 53597 1 56 103 VAL . 53597 1 57 104 GLY . 53597 1 58 105 ASP . 53597 1 59 106 GLY . 53597 1 60 107 GLU . 53597 1 61 108 THR . 53597 1 62 109 VAL . 53597 1 63 110 GLU . 53597 1 64 111 PHE . 53597 1 65 112 ASP . 53597 1 66 113 VAL . 53597 1 67 114 VAL . 53597 1 68 115 GLU . 53597 1 69 116 GLY . 53597 1 70 117 GLU . 53597 1 71 118 LYS . 53597 1 72 119 GLY . 53597 1 73 120 ALA . 53597 1 74 121 GLU . 53597 1 75 122 ALA . 53597 1 76 123 ALA . 53597 1 77 124 ASN . 53597 1 78 125 VAL . 53597 1 79 126 THR . 53597 1 80 127 GLY . 53597 1 81 128 PRO . 53597 1 82 129 GLY . 53597 1 83 130 GLY . 53597 1 84 131 VAL . 53597 1 85 132 PRO . 53597 1 86 133 VAL . 53597 1 87 134 GLN . 53597 1 88 135 GLY . 53597 1 89 136 SER . 53597 1 90 137 LYS . 53597 1 91 138 TYR . 53597 1 92 139 ALA . 53597 1 93 140 ALA . 53597 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 53597 1 . PRO 2 2 53597 1 . MET 3 3 53597 1 . ASP 4 4 53597 1 . LYS 5 5 53597 1 . LYS 6 6 53597 1 . VAL 7 7 53597 1 . ILE 8 8 53597 1 . ALA 9 9 53597 1 . THR 10 10 53597 1 . LYS 11 11 53597 1 . VAL 12 12 53597 1 . LEU 13 13 53597 1 . GLY 14 14 53597 1 . THR 15 15 53597 1 . VAL 16 16 53597 1 . LYS 17 17 53597 1 . TRP 18 18 53597 1 . PHE 19 19 53597 1 . ASN 20 20 53597 1 . VAL 21 21 53597 1 . ARG 22 22 53597 1 . ASN 23 23 53597 1 . GLY 24 24 53597 1 . TYR 25 25 53597 1 . GLY 26 26 53597 1 . PHE 27 27 53597 1 . ILE 28 28 53597 1 . ASN 29 29 53597 1 . ARG 30 30 53597 1 . ASN 31 31 53597 1 . ASP 32 32 53597 1 . THR 33 33 53597 1 . LYS 34 34 53597 1 . GLU 35 35 53597 1 . ASP 36 36 53597 1 . VAL 37 37 53597 1 . PHE 38 38 53597 1 . VAL 39 39 53597 1 . HIS 40 40 53597 1 . GLN 41 41 53597 1 . THR 42 42 53597 1 . ALA 43 43 53597 1 . ILE 44 44 53597 1 . LYS 45 45 53597 1 . LYS 46 46 53597 1 . ASN 47 47 53597 1 . ASN 48 48 53597 1 . PRO 49 49 53597 1 . ARG 50 50 53597 1 . LYS 51 51 53597 1 . TYR 52 52 53597 1 . LEU 53 53 53597 1 . ARG 54 54 53597 1 . SER 55 55 53597 1 . VAL 56 56 53597 1 . GLY 57 57 53597 1 . ASP 58 58 53597 1 . GLY 59 59 53597 1 . GLU 60 60 53597 1 . THR 61 61 53597 1 . VAL 62 62 53597 1 . GLU 63 63 53597 1 . PHE 64 64 53597 1 . ASP 65 65 53597 1 . VAL 66 66 53597 1 . VAL 67 67 53597 1 . GLU 68 68 53597 1 . GLY 69 69 53597 1 . GLU 70 70 53597 1 . LYS 71 71 53597 1 . GLY 72 72 53597 1 . ALA 73 73 53597 1 . GLU 74 74 53597 1 . ALA 75 75 53597 1 . ALA 76 76 53597 1 . ASN 77 77 53597 1 . VAL 78 78 53597 1 . THR 79 79 53597 1 . GLY 80 80 53597 1 . PRO 81 81 53597 1 . GLY 82 82 53597 1 . GLY 83 83 53597 1 . VAL 84 84 53597 1 . PRO 85 85 53597 1 . VAL 86 86 53597 1 . GLN 87 87 53597 1 . GLY 88 88 53597 1 . SER 89 89 53597 1 . LYS 90 90 53597 1 . TYR 91 91 53597 1 . ALA 92 92 53597 1 . ALA 93 93 53597 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53597 _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 ; AACACCT ; _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 7 _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 . _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 . DA . 53597 2 2 . DA . 53597 2 3 . DC . 53597 2 4 . DA . 53597 2 5 . DC . 53597 2 6 . DC . 53597 2 7 . DT . 53597 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 . DA 1 1 53597 2 . DA 2 2 53597 2 . DC 3 3 53597 2 . DA 4 4 53597 2 . DC 5 5 53597 2 . DC 6 6 53597 2 . DT 7 7 53597 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 53597 _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 . . . . . . . . . . . . . 53597 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 53597 _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 . . pETM14 . . . 53597 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53597 _Sample.ID 1 _Sample.Name 'YB1 rCSD + ssDNA' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '25 mM Tris-HCl pH 7.5, 50 mM NaCl and 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 'Refolded Cold Shock Domain' '[U-100% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 53597 1 2 ssDNA 'natural abundance' . . 2 $entity_2 . . 7.5 . . uM . . . . 53597 1 3 Tris-HCl 'natural abundance' . . . . . . 25 . . mM . . . . 53597 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53597 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 53597 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'YB1 rCSD + ssDNA' _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 7.5 . pH 53597 1 pressure 1 . atm 53597 1 temperature 298 . K 53597 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53597 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53597 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 53597 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 53597 _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 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53597 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53597 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'YB1 rCSD + ssDNA' _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 na direct 1.0 . . . . . 53597 1 N 15 na nitrogen . . . . ppm 120.0 na direct 1.0 . . . . . 53597 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53597 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'YB1 rCSD + ssDNA' _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 $chem_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' . . . 53597 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 $software_1 . . 53597 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4 4 ASP H H 1 7.961979521 0.007317578231 . . . . . . . 51 ASP H . 53597 1 2 . 1 . 1 4 4 ASP N N 15 121.383883 0.01388966464 . . . . . . . 51 ASP N . 53597 1 3 . 1 . 1 5 5 LYS H H 1 8.055594515 0.008573242323 . . . . . . . 52 LYS H . 53597 1 4 . 1 . 1 5 5 LYS N N 15 121.6590106 0.1067345376 . . . . . . . 52 LYS N . 53597 1 5 . 1 . 1 6 6 LYS H H 1 8.510621466 0.009846381577 . . . . . . . 53 LYS H . 53597 1 6 . 1 . 1 6 6 LYS N N 15 123.8209543 0.1654190535 . . . . . . . 53 LYS N . 53597 1 7 . 1 . 1 7 7 VAL H H 1 8.395869323 0.00871982282 . . . . . . . 54 VAL H . 53597 1 8 . 1 . 1 7 7 VAL N N 15 125.2223403 0.06788058379 . . . . . . . 54 VAL N . 53597 1 9 . 1 . 1 8 8 ILE H H 1 9.180821396 0.03165764374 . . . . . . . 55 ILE H . 53597 1 10 . 1 . 1 8 8 ILE N N 15 127.3884246 0.1686370897 . . . . . . . 55 ILE N . 53597 1 11 . 1 . 1 9 9 ALA H H 1 7.999414555 0.02562698832 . . . . . . . 56 ALA H . 53597 1 12 . 1 . 1 9 9 ALA N N 15 122.3758279 0.03521313614 . . . . . . . 56 ALA N . 53597 1 13 . 1 . 1 10 10 THR H H 1 8.257547584 0.006141238684 . . . . . . . 57 THR H . 53597 1 14 . 1 . 1 10 10 THR N N 15 112.8332398 0.04022764711 . . . . . . . 57 THR N . 53597 1 15 . 1 . 1 11 11 LYS H H 1 8.704459811 0.008383799173 . . . . . . . 58 LYS H . 53597 1 16 . 1 . 1 11 11 LYS N N 15 123.6486049 0.1154001019 . . . . . . . 58 LYS N . 53597 1 17 . 1 . 1 12 12 VAL H H 1 8.747427207 0.008798522883 . . . . . . . 59 VAL H . 53597 1 18 . 1 . 1 12 12 VAL N N 15 121.7767204 0.06134140722 . . . . . . . 59 VAL N . 53597 1 19 . 1 . 1 13 13 LEU H H 1 7.60089394 0.006094229838 . . . . . . . 60 LEU H . 53597 1 20 . 1 . 1 13 13 LEU N N 15 121.6551932 0.05664026336 . . . . . . . 60 LEU N . 53597 1 21 . 1 . 1 14 14 GLY H H 1 9.218929999 0.007046851573 . . . . . . . 61 GLY H . 53597 1 22 . 1 . 1 14 14 GLY N N 15 108.877588 0.02247038269 . . . . . . . 61 GLY N . 53597 1 23 . 1 . 1 15 15 THR H H 1 8.655204664 0.01011879727 . . . . . . . 62 THR H . 53597 1 24 . 1 . 1 15 15 THR N N 15 114.9606745 0.1904419675 . . . . . . . 62 THR N . 53597 1 25 . 1 . 1 16 16 VAL H H 1 9.033652249 0.0142923115 . . . . . . . 63 VAL H . 53597 1 26 . 1 . 1 16 16 VAL N N 15 128.7961746 0.1445778037 . . . . . . . 63 VAL N . 53597 1 27 . 1 . 1 17 17 LYS H H 1 8.929617817 0.01292472018 . . . . . . . 64 LYS H . 53597 1 28 . 1 . 1 17 17 LYS N N 15 134.4368907 0.3625367772 . . . . . . . 64 LYS N . 53597 1 29 . 1 . 1 18 18 TRP H H 1 7.927372914 1.384652981 . . . . . . . 65 TRP H . 53597 1 30 . 1 . 1 18 18 TRP HE1 H 1 10.21046391 0.2100042669 . . . . . . . 65 TRP HE1 . 53597 1 31 . 1 . 1 18 18 TRP N N 15 119.354299 8.914046571 . . . . . . . 65 TRP N . 53597 1 32 . 1 . 1 19 19 PHE H H 1 8.714680297 0.04741432966 . . . . . . . 66 PHE H . 53597 1 33 . 1 . 1 19 19 PHE N N 15 118.8981667 0.8520166623 . . . . . . . 66 PHE N . 53597 1 34 . 1 . 1 20 20 ASN H H 1 7.954216474 0.6168656945 . . . . . . . 67 ASN H . 53597 1 35 . 1 . 1 20 20 ASN N N 15 129.0733008 0.7098158836 . . . . . . . 67 ASN N . 53597 1 36 . 1 . 1 20 20 ASN ND2 N 15 113.4142013 0.1584991401 . . . . . . . 67 ASN ND2 . 53597 1 37 . 1 . 1 22 22 ARG H H 1 7.95701869 0.01264614811 . . . . . . . 69 ARG H . 53597 1 38 . 1 . 1 22 22 ARG N N 15 119.8872115 0.04961158097 . . . . . . . 69 ARG N . 53597 1 39 . 1 . 1 23 23 ASN H H 1 7.496835951 0.4481724159 . . . . . . . 70 ASN H . 53597 1 40 . 1 . 1 23 23 ASN N N 15 112.9212456 2.084824123 . . . . . . . 70 ASN N . 53597 1 41 . 1 . 1 24 24 GLY H H 1 7.990496116 0.02799862492 . . . . . . . 71 GLY H . 53597 1 42 . 1 . 1 24 24 GLY N N 15 109.5396949 0.2604925515 . . . . . . . 71 GLY N . 53597 1 43 . 1 . 1 25 25 TYR H H 1 6.586374655 0.1779211455 . . . . . . . 72 TYR H . 53597 1 44 . 1 . 1 25 25 TYR N N 15 111.754576 0.6863270089 . . . . . . . 72 TYR N . 53597 1 45 . 1 . 1 26 26 GLY H H 1 7.973722233 0.0851021492 . . . . . . . 73 GLY H . 53597 1 46 . 1 . 1 26 26 GLY N N 15 106.5657709 1.471327744 . . . . . . . 73 GLY N . 53597 1 47 . 1 . 1 27 27 PHE H H 1 7.49388061 0.004965052487 . . . . . . . 74 PHE H . 53597 1 48 . 1 . 1 27 27 PHE N N 15 114.474143 0.02435005806 . . . . . . . 74 PHE N . 53597 1 49 . 1 . 1 28 28 ILE H H 1 9.283195157 0.007951444489 . . . . . . . 75 ILE H . 53597 1 50 . 1 . 1 28 28 ILE N N 15 121.3519574 0.04516557515 . . . . . . . 75 ILE N . 53597 1 51 . 1 . 1 29 29 ASN H H 1 8.425910037 1.182086051 . . . . . . . 76 ASN H . 53597 1 52 . 1 . 1 29 29 ASN N N 15 127.2221542 0.0654020707 . . . . . . . 76 ASN N . 53597 1 53 . 1 . 1 29 29 ASN ND2 N 15 111.6710518 0.00916946543 . . . . . . . 76 ASN ND2 . 53597 1 54 . 1 . 1 30 30 ARG H H 1 9.149177655 0.02900821372 . . . . . . . 77 ARG H . 53597 1 55 . 1 . 1 30 30 ARG N N 15 127.5537845 0.1044022695 . . . . . . . 77 ARG N . 53597 1 56 . 1 . 1 31 31 ASN H H 1 8.668551039 1.176888151 . . . . . . . 78 ASN H . 53597 1 57 . 1 . 1 31 31 ASN N N 15 121.5746051 0.07952960713 . . . . . . . 78 ASN N . 53597 1 58 . 1 . 1 31 31 ASN ND2 N 15 108.7803547 0.004317533365 . . . . . . . 78 ASN ND2 . 53597 1 59 . 1 . 1 32 32 ASP H H 1 8.80409575 0.007650763637 . . . . . . . 79 ASP H . 53597 1 60 . 1 . 1 32 32 ASP N N 15 116.9069939 0.02236407802 . . . . . . . 79 ASP N . 53597 1 61 . 1 . 1 33 33 THR H H 1 8.619435597 0.00528135716 . . . . . . . 80 THR H . 53597 1 62 . 1 . 1 33 33 THR N N 15 109.6435477 0.01722385352 . . . . . . . 80 THR N . 53597 1 63 . 1 . 1 34 34 LYS H H 1 7.675285782 0.007971522578 . . . . . . . 81 LYS H . 53597 1 64 . 1 . 1 34 34 LYS N N 15 114.9095422 0.01414076363 . . . . . . . 81 LYS N . 53597 1 65 . 1 . 1 35 35 GLU H H 1 7.13413914 0.005130840423 . . . . . . . 82 GLU H . 53597 1 66 . 1 . 1 35 35 GLU N N 15 118.0706001 0.02960852335 . . . . . . . 82 GLU N . 53597 1 67 . 1 . 1 36 36 ASP H H 1 8.669884706 0.0228558211 . . . . . . . 83 ASP H . 53597 1 68 . 1 . 1 36 36 ASP N N 15 122.5471387 0.08562856355 . . . . . . . 83 ASP N . 53597 1 69 . 1 . 1 37 37 VAL H H 1 9.660322637 0.00672294891 . . . . . . . 84 VAL H . 53597 1 70 . 1 . 1 37 37 VAL N N 15 121.1772952 0.1901108354 . . . . . . . 84 VAL N . 53597 1 71 . 1 . 1 38 38 PHE H H 1 8.215489469 0.01105538463 . . . . . . . 85 PHE H . 53597 1 72 . 1 . 1 38 38 PHE N N 15 129.7547822 0.2028443607 . . . . . . . 85 PHE N . 53597 1 73 . 1 . 1 39 39 VAL H H 1 7.593683047 0.00899301312 . . . . . . . 86 VAL H . 53597 1 74 . 1 . 1 39 39 VAL N N 15 123.5060114 0.2620586188 . . . . . . . 86 VAL N . 53597 1 75 . 1 . 1 40 40 HIS H H 1 8.59941593 0.00904144153 . . . . . . . 87 HIS H . 53597 1 76 . 1 . 1 40 40 HIS N N 15 127.3697593 0.3160269838 . . . . . . . 87 HIS N . 53597 1 77 . 1 . 1 41 41 GLN H H 1 7.708326829 0.5396951586 . . . . . . . 88 GLN H . 53597 1 78 . 1 . 1 41 41 GLN N N 15 123.3644536 0.1230004639 . . . . . . . 88 GLN N . 53597 1 79 . 1 . 1 41 41 GLN NE2 N 15 110.5634447 0.007632044094 . . . . . . . 88 GLN NE2 . 53597 1 80 . 1 . 1 42 42 THR H H 1 8.84030062 0.06287631557 . . . . . . . 89 THR H . 53597 1 81 . 1 . 1 42 42 THR N N 15 111.6500789 0.2553728847 . . . . . . . 89 THR N . 53597 1 82 . 1 . 1 43 43 ALA H H 1 8.176198414 0.05014299295 . . . . . . . 90 ALA H . 53597 1 83 . 1 . 1 43 43 ALA N N 15 123.4505557 0.08104611736 . . . . . . . 90 ALA N . 53597 1 84 . 1 . 1 44 44 ILE H H 1 7.006558878 0.05354777904 . . . . . . . 91 ILE H . 53597 1 85 . 1 . 1 44 44 ILE N N 15 117.5290709 0.09440190994 . . . . . . . 91 ILE N . 53597 1 86 . 1 . 1 45 45 LYS H H 1 8.940291599 0.02600893413 . . . . . . . 92 LYS H . 53597 1 87 . 1 . 1 45 45 LYS N N 15 132.4369191 0.113211172 . . . . . . . 92 LYS N . 53597 1 88 . 1 . 1 46 46 LYS H H 1 6.716486038 0.0473039242 . . . . . . . 93 LYS H . 53597 1 89 . 1 . 1 46 46 LYS N N 15 117.9711632 0.1131400849 . . . . . . . 93 LYS N . 53597 1 90 . 1 . 1 47 47 ASN H H 1 6.850244933 0.4182360442 . . . . . . . 94 ASN H . 53597 1 91 . 1 . 1 47 47 ASN ND2 N 15 115.5628761 0.0867989383 . . . . . . . 94 ASN ND2 . 53597 1 92 . 1 . 1 48 48 ASN H H 1 7.306361403 0.4866438628 . . . . . . . 95 ASN H . 53597 1 93 . 1 . 1 48 48 ASN N N 15 123.0389331 0.2403748203 . . . . . . . 95 ASN N . 53597 1 94 . 1 . 1 48 48 ASN ND2 N 15 113.8405164 0.02293447895 . . . . . . . 95 ASN ND2 . 53597 1 95 . 1 . 1 50 50 ARG H H 1 8.285661807 0.042846304 . . . . . . . 97 ARG H . 53597 1 96 . 1 . 1 50 50 ARG N N 15 116.1884356 0.3003942106 . . . . . . . 97 ARG N . 53597 1 97 . 1 . 1 51 51 LYS H H 1 7.397001884 0.0199315088 . . . . . . . 98 LYS H . 53597 1 98 . 1 . 1 51 51 LYS N N 15 119.5131217 0.1001193588 . . . . . . . 98 LYS N . 53597 1 99 . 1 . 1 53 53 LEU H H 1 8.673678528 0.04296356727 . . . . . . . 100 LEU H . 53597 1 100 . 1 . 1 53 53 LEU N N 15 121.6141035 0.1350719111 . . . . . . . 100 LEU N . 53597 1 101 . 1 . 1 54 54 ARG H H 1 8.558290472 0.02119072848 . . . . . . . 101 ARG H . 53597 1 102 . 1 . 1 54 54 ARG N N 15 124.6847712 0.1718816489 . . . . . . . 101 ARG N . 53597 1 103 . 1 . 1 55 55 SER H H 1 7.351235744 0.01274141407 . . . . . . . 102 SER H . 53597 1 104 . 1 . 1 55 55 SER N N 15 114.0248313 0.02022021087 . . . . . . . 102 SER N . 53597 1 105 . 1 . 1 57 57 GLY H H 1 10.53274501 0.04324647316 . . . . . . . 104 GLY H . 53597 1 106 . 1 . 1 57 57 GLY N N 15 110.0605693 0.6881116578 . . . . . . . 104 GLY N . 53597 1 107 . 1 . 1 58 58 ASP H H 1 8.140962407 0.01147768988 . . . . . . . 105 ASP H . 53597 1 108 . 1 . 1 58 58 ASP N N 15 121.9612709 0.04972213471 . . . . . . . 105 ASP N . 53597 1 109 . 1 . 1 59 59 GLY H H 1 8.692868778 0.02647443511 . . . . . . . 106 GLY H . 53597 1 110 . 1 . 1 59 59 GLY N N 15 112.6551256 0.1446790087 . . . . . . . 106 GLY N . 53597 1 111 . 1 . 1 60 60 GLU H H 1 7.911725615 0.01306813467 . . . . . . . 107 GLU H . 53597 1 112 . 1 . 1 60 60 GLU N N 15 121.0481662 0.1020021618 . . . . . . . 107 GLU N . 53597 1 113 . 1 . 1 61 61 THR H H 1 8.669493901 0.006916198439 . . . . . . . 108 THR H . 53597 1 114 . 1 . 1 61 61 THR N N 15 120.2879814 0.09805602929 . . . . . . . 108 THR N . 53597 1 115 . 1 . 1 62 62 VAL H H 1 8.965550811 0.01186281428 . . . . . . . 109 VAL H . 53597 1 116 . 1 . 1 62 62 VAL N N 15 119.0425542 0.04891254812 . . . . . . . 109 VAL N . 53597 1 117 . 1 . 1 63 63 GLU H H 1 8.793087546 0.01820685149 . . . . . . . 110 GLU H . 53597 1 118 . 1 . 1 63 63 GLU N N 15 123.3891343 0.04202938827 . . . . . . . 110 GLU N . 53597 1 119 . 1 . 1 64 64 PHE H H 1 8.597425471 0.01342613643 . . . . . . . 111 PHE H . 53597 1 120 . 1 . 1 64 64 PHE N N 15 119.3313199 0.02494076057 . . . . . . . 111 PHE N . 53597 1 121 . 1 . 1 66 66 VAL H H 1 8.974121156 0.0128532253 . . . . . . . 113 VAL H . 53597 1 122 . 1 . 1 66 66 VAL N N 15 120.9756177 0.02593362377 . . . . . . . 113 VAL N . 53597 1 123 . 1 . 1 67 67 VAL H H 1 9.4857928 0.02041114476 . . . . . . . 114 VAL H . 53597 1 124 . 1 . 1 67 67 VAL N N 15 122.1141191 0.09625733203 . . . . . . . 114 VAL N . 53597 1 125 . 1 . 1 68 68 GLU H H 1 8.592967789 0.02672779438 . . . . . . . 115 GLU H . 53597 1 126 . 1 . 1 68 68 GLU N N 15 121.8525466 0.1100650066 . . . . . . . 115 GLU N . 53597 1 127 . 1 . 1 69 69 GLY H H 1 7.883439901 0.03012531721 . . . . . . . 116 GLY H . 53597 1 128 . 1 . 1 69 69 GLY N N 15 114.1202347 0.09991306433 . . . . . . . 116 GLY N . 53597 1 129 . 1 . 1 71 71 LYS H H 1 8.573484727 0.05687820712 . . . . . . . 118 LYS H . 53597 1 130 . 1 . 1 71 71 LYS N N 15 116.764585 0.2348580725 . . . . . . . 118 LYS N . 53597 1 131 . 1 . 1 72 72 GLY H H 1 7.278925426 0.1134099932 . . . . . . . 119 GLY H . 53597 1 132 . 1 . 1 72 72 GLY N N 15 108.0402177 0.6185507371 . . . . . . . 119 GLY N . 53597 1 133 . 1 . 1 73 73 ALA H H 1 8.563835632 0.01286482336 . . . . . . . 120 ALA H . 53597 1 134 . 1 . 1 73 73 ALA N N 15 125.0832304 0.1629340257 . . . . . . . 120 ALA N . 53597 1 135 . 1 . 1 74 74 GLU H H 1 9.281265484 0.1604136827 . . . . . . . 121 GLU H . 53597 1 136 . 1 . 1 74 74 GLU N N 15 121.0247986 0.07057610704 . . . . . . . 121 GLU N . 53597 1 137 . 1 . 1 75 75 ALA H H 1 8.790661742 0.01408954192 . . . . . . . 122 ALA H . 53597 1 138 . 1 . 1 75 75 ALA N N 15 122.5828823 0.08338726031 . . . . . . . 122 ALA N . 53597 1 139 . 1 . 1 76 76 ALA H H 1 9.292024714 0.006024515976 . . . . . . . 123 ALA H . 53597 1 140 . 1 . 1 76 76 ALA N N 15 122.5569033 0.08404973479 . . . . . . . 123 ALA N . 53597 1 141 . 1 . 1 77 77 ASN H H 1 8.659526208 0.9423604583 . . . . . . . 124 ASN H . 53597 1 142 . 1 . 1 77 77 ASN N N 15 117.7244727 0.06151065268 . . . . . . . 124 ASN N . 53597 1 143 . 1 . 1 77 77 ASN ND2 N 15 116.5074254 0.05706003517 . . . . . . . 124 ASN ND2 . 53597 1 144 . 1 . 1 78 78 VAL H H 1 8.491278141 0.04465652583 . . . . . . . 125 VAL H . 53597 1 145 . 1 . 1 78 78 VAL N N 15 116.3084701 0.05860342822 . . . . . . . 125 VAL N . 53597 1 146 . 1 . 1 79 79 THR H H 1 9.422846833 0.01411870975 . . . . . . . 126 THR H . 53597 1 147 . 1 . 1 79 79 THR N N 15 119.0475125 0.07853067232 . . . . . . . 126 THR N . 53597 1 148 . 1 . 1 80 80 GLY H H 1 9.222069052 0.01444499595 . . . . . . . 127 GLY H . 53597 1 149 . 1 . 1 80 80 GLY N N 15 106.4840328 0.03174534339 . . . . . . . 127 GLY N . 53597 1 150 . 1 . 1 82 82 GLY H H 1 9.377254884 0.02384643961 . . . . . . . 129 GLY H . 53597 1 151 . 1 . 1 82 82 GLY N N 15 113.5341933 0.05187139571 . . . . . . . 129 GLY N . 53597 1 152 . 1 . 1 83 83 GLY H H 1 7.595492764 0.008771519198 . . . . . . . 130 GLY H . 53597 1 153 . 1 . 1 83 83 GLY N N 15 105.3939078 0.03765610477 . . . . . . . 130 GLY N . 53597 1 154 . 1 . 1 84 84 VAL H H 1 6.275965284 0.01306803198 . . . . . . . 131 VAL H . 53597 1 155 . 1 . 1 84 84 VAL N N 15 112.5723387 0.09144870452 . . . . . . . 131 VAL N . 53597 1 156 . 1 . 1 86 86 VAL H H 1 7.609810058 0.02411753207 . . . . . . . 133 VAL H . 53597 1 157 . 1 . 1 86 86 VAL N N 15 114.0868184 0.05554930308 . . . . . . . 133 VAL N . 53597 1 158 . 1 . 1 87 87 GLN H H 1 9.630899295 1.961561656 . . . . . . . 134 GLN H . 53597 1 159 . 1 . 1 87 87 GLN N N 15 121.9462068 0.1146645462 . . . . . . . 134 GLN N . 53597 1 160 . 1 . 1 87 87 GLN NE2 N 15 113.7650925 0.002502477023 . . . . . . . 134 GLN NE2 . 53597 1 161 . 1 . 1 88 88 GLY H H 1 9.110993119 0.033259037 . . . . . . . 135 GLY H . 53597 1 162 . 1 . 1 88 88 GLY N N 15 107.7906282 0.02939289022 . . . . . . . 135 GLY N . 53597 1 163 . 1 . 1 89 89 SER H H 1 7.928810659 0.03857223488 . . . . . . . 136 SER H . 53597 1 164 . 1 . 1 89 89 SER N N 15 110.806228 0.06912005981 . . . . . . . 136 SER N . 53597 1 165 . 1 . 1 91 91 TYR H H 1 8.109318525 0.08452215796 . . . . . . . 138 TYR H . 53597 1 166 . 1 . 1 91 91 TYR N N 15 117.5057512 0.3630984564 . . . . . . . 138 TYR N . 53597 1 167 . 1 . 1 92 92 ALA H H 1 7.377831397 0.01330002188 . . . . . . . 139 ALA H . 53597 1 168 . 1 . 1 92 92 ALA N N 15 122.8435225 0.5270911826 . . . . . . . 139 ALA N . 53597 1 169 . 1 . 1 93 93 ALA H H 1 7.595252649 0.1543929662 . . . . . . . 140 ALA H . 53597 1 170 . 1 . 1 93 93 ALA N N 15 130.6218963 0.04793166431 . . . . . . . 140 ALA N . 53597 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 53597 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'YB1 rCSD + ssDNA' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 1 1 . . 36617.87891 . 8.909248899 . 135.2748722 . CSD 64 LYS H CSD 64 LYS N 2 2 . . 46750.62891 . 8.883800811 . 132.2284938 . CSD 92 LYS H CSD 92 LYS N 3 3 . . 89055.55469 . 7.236926102 . 130.6992744 . CSD 140 ALA H CSD 140 ALA N 4 4 . . 65588.11719 . 8.192447602 . 130.2060834 . CSD 85 PHE H CSD 85 PHE N 5 5 . . 59885.31641 . 9.913578464 . 128.4796621 . CSD 65 TRP HE1 CSD 65 TRP NE1 6 6 . . 33675.18359 . 8.450104416 . 130.7440161 . CSD 67 ASN H CSD 67 ASN N 7 7 . . 80772.94531 . 9.122099089 . 127.7683312 . CSD 77 ARG H CSD 77 ARG N 8 8 . . 54281.83984 . 8.586767548 . 126.7654801 . CSD 87 HIS H CSD 87 HIS N 9 9 . . 51012.04297 . 9.253791759 . 127.7710849 . CSD 55 ILE H CSD 55 ILE N 10 10 . . 62970.16797 . 9.088255007 . 127.3173666 . CSD 76 ASN H CSD 76 ASN N 11 11 37414727.21 . 102944.1328 . 8.407894877 . 125.318296 . CSD 54 VAL H CSD 54 VAL N 12 12 . . 142619.1719 . 8.589170833 . 124.7038016 . CSD 120 ALA H CSD 120 ALA N 13 13 . . 78600.94531 . 8.588409401 . 124.3022629 . CSD 101 ARG H CSD 101 ARG N 14 14 . . 70820.10156 . 8.514958716 . 123.461957 . CSD 53 LYS H CSD 53 LYS N 15 15 24248483.83 . 66489.63281 . 8.711008161 . 123.6690893 . CSD 58 LYS H CSD 58 LYS N 16 16 . . 64192.13281 . 7.606129047 . 122.9140372 . CSD 86 VAL H CSD 86 VAL N 17 17 . . 73040.45312 . 8.064641681 . 123.5735153 . CSD 90 ALA H CSD 90 ALA N 18 18 22761631.79 . 58710.20312 . 8.756516574 . 123.3803604 . CSD 110 GLU H CSD 110 GLU N 19 19 . . 108332.75 . 7.374496605 . 121.6162158 . CSD 139 ALA H CSD 139 ALA N 20 20 . . 45904.04688 . 7.15590365 . 123.5868117 . CSD 95 ASN H CSD 95 ASN N 21 21 . . 96163.85156 . 8.76804282 . 122.4020769 . CSD 122 ALA H CSD 122 ALA N 22 22 43661847.95 . 80700.75781 . 9.293538402 . 122.3827915 . CSD 123 ALA H CSD 123 ALA N 23 23 . . 94259.41406 . 8.720675946 . 122.7395116 . CSD 83 ASP H CSD 83 ASP N 24 24 . . 73664.85156 . 8.058035942 . 122.3342933 . CSD 56 ALA H CSD 56 ALA N 25 25 . . 65249.1875 . 9.527045237 . 121.9175628 . CSD 114 VAL H CSD 114 VAL N 26 26 . . 106472.6406 . 8.621707898 . 121.625081 . CSD 115 GLU H CSD 115 GLU N 27 27 . . 67358.01562 . 8.761839783 . 121.9045469 . CSD 59 VAL H CSD 59 VAL N 28 28 28716670.96 . 98821.09375 . 7.597047657 . 121.7689648 . CSD 60 LEU H CSD 60 LEU N 29 29 19774149.9 . 74183.38281 . 9.521805035 . 121.3973403 . CSD 78 ASN H CSD 78 ASN N 30 30 36359412.21 . 97246.98438 . 8.052906266 . 121.8972567 . CSD 52 LYS H CSD 52 LYS N 31 31 . . 59900.50391 . 8.770568937 . 121.8258295 . CSD 100 LEU H CSD 100 LEU N 32 32 33110687.32 . 57283.6875 . 9.274856456 . 121.2558167 . CSD 75 ILE H CSD 75 ILE N 33 33 . . 61010.40234 . 9.6601458 . 121.6061625 . CSD 84 VAL H CSD 84 VAL N 34 34 . . 55459.71094 . 8.904163539 . 120.8720465 . CSD 121 GLU H CSD 121 GLU N 35 35 29732654.54 . 105548.9297 . 7.911675033 . 120.8718149 . CSD 107 GLU H CSD 107 GLU N 36 36 . . 75477.82812 . 8.997919828 . 121.0123822 . CSD 113 VAL H CSD 113 VAL N 37 37 . . 102000.3438 . 8.678399871 . 120.0670356 . CSD 108 THR H CSD 108 THR N 38 38 21601449.1 . 80721.36719 . 7.958968632 . 119.8096126 . CSD 69 ARG H CSD 69 ARG N 39 39 . . 91498.46875 . 7.365465092 . 119.7333779 . CSD 98 LYS H CSD 98 LYS N 40 40 . . 73218.42188 . 8.625533532 . 119.3542362 . CSD 111 PHE H CSD 111 PHE N 41 41 . . 66879.5625 . 8.825059165 . 116.8925946 . CSD 66 PHE H CSD 66 PHE N 42 42 . . 73537.96094 . 8.944501265 . 118.9415404 . CSD 109 VAL H CSD 109 VAL N 43 43 . . 64622.20703 . 9.394156897 . 119.2198451 . CSD 126 THR H CSD 126 THR N 44 44 36613795.5 . 102720.7422 . 7.133103013 . 118.0218387 . CSD 82 GLU H CSD 82 GLU N 45 45 . . 60063.34766 . 6.624714721 . 117.9513595 . CSD 93 LYS H CSD 93 LYS N 46 46 30418993.91 . 106407.8438 . 9.301576143 . 117.6509521 . CSD 124 ASN H CSD 124 ASN N 47 47 . . 70122.35938 . 8.307879813 . 116.6647332 . CSD 138 TYR H CSD 138 TYR N 48 48 . . 81338.0625 . 6.883627544 . 117.3323563 . CSD 91 ILE H CSD 91 ILE N 49 49 49672013.84 . 146465.6719 . 8.811562901 . 116.9132332 . CSD 79 ASP H CSD 79 ASP N 50 50 . . 52889.04297 . 8.441200768 . 117.3136063 . CSD 118 LYS H CSD 118 LYS N 51 51 25119567.2 . 107863.1875 . 8.471343502 . 116.2178901 . CSD 125 VAL H CSD 125 VAL N 52 52 . . 57482.08984 . 8.385336051 . 115.487622 . CSD 97 ARG H CSD 97 ARG N 53 53 25069274.8 . 64846.69141 . 7.663113058 . 114.9230491 . CSD 81 LYS H CSD 81 LYS N 54 54 . . 66396.82812 . 8.675015262 . 115.3972143 . CSD 62 THR H CSD 62 THR N 55 55 . . 64275.64453 . 8.287430841 . 114.6220894 . CSD 70 ASN H CSD 70 ASN N 56 56 . . 76809.70312 . 7.816606271 . 114.3338018 . CSD 116 GLY H CSD 116 GLY N 57 57 26952877.18 . 74170.29688 . 7.55986143 . 114.1435087 . CSD 133 VAL H CSD 133 VAL N 58 58 24971214.48 . 93031.3125 . 9.368290714 . 113.568493 . CSD 129 GLY H CSD 129 GLY N 59 59 29066279.5 . 132819.9375 . 8.254880528 . 112.7759529 . CSD 57 THR H CSD 57 THR N 60 60 . . 56642.67578 . 8.631824715 . 112.3212142 . CSD 106 GLY H CSD 106 GLY N 61 61 34310055.96 . 91709.02344 . 6.256165254 . 112.4047727 . CSD 131 VAL H CSD 131 VAL N 62 62 . . 66919.33594 . 7.003507842 . 110.1664378 . CSD 72 TYR H CSD 72 TYR N 63 63 . . 34772.27344 . 7.012210768 . 113.1511429 . CSD 65 TRP H CSD 65 TRP N 64 64 . . 76998.25781 . 8.015936356 . 110.7224693 . CSD 136 SER H CSD 136 SER N 65 65 . . 44878.85156 . 10.44260447 . 108.4654905 . CSD 104 GLY H CSD 104 GLY N 66 66 39832998.67 . 77177.70312 . 8.614657609 . 109.6568928 . CSD 80 THR H CSD 80 THR N 67 67 . . 54817.87891 . 8.054074441 . 110.149565 . CSD 71 GLY H CSD 71 GLY N 68 68 23726155.62 . 83609.51562 . 9.22885283 . 108.8941258 . CSD 61 GLY H CSD 61 GLY N 69 69 . . 89196.28906 . 7.012160009 . 106.5866091 . CSD 119 GLY H CSD 119 GLY N 70 70 . . 68179.75 . 9.186739904 . 107.7936249 . CSD 135 GLY H CSD 135 GLY N 71 71 23697050.04 . 71203.38281 . 9.190833469 . 106.5332219 . CSD 127 GLY H CSD 127 GLY N 72 72 . . 45107.1875 . 8.171775202 . 110.0294521 . CSD 73 GLY H CSD 73 GLY N 73 73 27093605.93 . 88782.46094 . 7.591299048 . 105.3354684 . CSD 130 GLY H CSD 130 GLY N 74 74 . . 88252.88281 . 9.060939437 . 129.1255012 . CSD 63 VAL H CSD 63 VAL N 75 75 . . 52497.94531 . 11.2812171 . 122.1784275 . CSD 134 GLN H CSD 134 GLN N 76 76 . . 29703.59961 . 8.782403324 . 112.0208625 . CSD 89 THR H CSD 89 THR N 77 77 . . 63363.08594 . 7.9692971 . 121.3977727 . CSD 51 ASP H CSD 51 ASP N 78 78 . . 88674.53125 . 7.430106587 . 108.7650496 . CSD 78 ASN HD21 CSD 78 ASN ND2 79 79 . . 93660.91406 . 6.799347168 . 108.7650143 . CSD 78 ASN HD22 CSD 78 ASN ND2 80 82 . . 66057.33594 . 7.078667171 . 108.0876373 . CSD 70 ASN HD21 CSD 70 ASN ND2 81 83 . . 90963.61719 . 6.914669918 . 108.0901532 . CSD 70 ASN HD22 CSD 70 ASN ND2 82 84 . . 33221.35547 . 6.021051866 . 111.6198356 . CSD 76 ASN HD22 CSD 76 ASN ND2 83 85 . . 34348.81641 . 6.1579387 . 116.1013716 . CSD 94 ASN HD22 CSD 94 ASN ND2 84 86 . . 62240.16406 . 7.301908485 . 116.0815087 . CSD 94 ASN HD21 CSD 94 ASN ND2 85 87 . . 125028.0312 . 6.825498411 . 116.4891091 . CSD 124 ASN HD22 CSD 124 ASN ND2 86 88 . . 278802.5312 . 6.743413644 . 113.775955 . CSD 134 GLN HE22 CSD 134 GLN NE2 87 89 . . 85006.82031 . 6.9725189 . 113.7050316 . CSD 95 ASN HD22 CSD 95 ASN ND2 88 92 . . 172621.7344 . 6.958354077 . 110.5303366 . CSD 88 GLN HE22 CSD 88 GLN NE2 89 93 . . 156432.3438 . 7.702810983 . 110.5275638 . CSD 88 GLN HE21 CSD 88 GLN NE2 90 94 . . 38593.10547 . 8.202409851 . 111.6126573 . CSD 76 ASN HD21 CSD 76 ASN ND2 91 95 . . 245914.7812 . 7.623679723 . 113.775545 . CSD 134 GLN HE21 CSD 134 GLN NE2 92 96 . . 59343.00781 . 8.397946152 . 113.6991908 . CSD 95 ASN HD21 CSD 95 ASN ND2 93 97 . . 106894.4766 . 8.293545843 . 116.5141387 . CSD 124 ASN HD21 CSD 124 ASN ND2 stop_ ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 18.0341 ppm . . . . . . 53597 1 2 . . N 15 NH . 'not observed' 31.9999 ppm . . . . . . 53597 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53597 1 stop_ save_