data_34386 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34386 _Entry.Title ; SC14 G-hairpin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-01 _Entry.Accession_date 2019-04-01 _Entry.Last_release_date 2020-03-03 _Entry.Original_release_date 2020-03-03 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34386 stop_ 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 M. 'Lenarcic Zivkovic' M. . . . 34386 2 L. Trantirek L. . . . 34386 3 J. Plavec J. . . . 34386 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34386 'G-hairpin DNA NMR spectroscopy structure dynamics' . 34386 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34386 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 135 34386 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 2 . . 2021-09-15 2019-04-01 update BMRB 'update entry citation' 34386 1 . . 2021-02-01 2019-04-01 original author 'original release' 34386 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6R8E . 34386 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34386 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33524154 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Insight into formation propensity of pseudocircular DNA G-hairpins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 49 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0353 _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 2317 _Citation.Page_last 2332 _Citation.Year 2021 _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 'Martina Lenarcic' Zdivkovic M. L. . . 34386 1 2 Martin Gajarsky M. . . . 34386 1 3 Katerina Bekova K. . . . 34386 1 4 Petr Stadlbauer P. . . . 34386 1 5 Lukas Vicherek L. . . . 34386 1 6 Magdalena Petrova M. . . . 34386 1 7 Radovan Fiala R. . . . 34386 1 8 Ivan Rosenberg I. . . . 34386 1 9 Jiri Sponer J. . . . 34386 1 10 Janez Plavec J. . . . 34386 1 11 Lukas Trantirek L. . . . 34386 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34386 _Assembly.ID 1 _Assembly.Name "DNA (5'-D(*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*GP*T)-3')" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34386 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34386 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGTGTGGGTGTGT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4413.846 _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 . DG . 34386 1 2 . DT . 34386 1 3 . DG . 34386 1 4 . DT . 34386 1 5 . DG . 34386 1 6 . DT . 34386 1 7 . DG . 34386 1 8 . DG . 34386 1 9 . DG . 34386 1 10 . DT . 34386 1 11 . DG . 34386 1 12 . DT . 34386 1 13 . DG . 34386 1 14 . DT . 34386 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 . DG 1 1 34386 1 . DT 2 2 34386 1 . DG 3 3 34386 1 . DT 4 4 34386 1 . DG 5 5 34386 1 . DT 6 6 34386 1 . DG 7 7 34386 1 . DG 8 8 34386 1 . DG 9 9 34386 1 . DT 10 10 34386 1 . DG 11 11 34386 1 . DT 12 12 34386 1 . DG 13 13 34386 1 . DT 14 14 34386 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 34386 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 34386 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 34386 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34386 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34386 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.6 mM / DNA (5'-D(*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*GP*T)-3'), 90% H2O/10% D2O" _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 "DNA (5'-D(*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*GP*T)-3')" 'natural abundance' 1 $assembly 1 $entity_1 . . 0.6 . . mM . . . . 34386 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34386 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.6 mM / DNA (5'-D(*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*GP*T)-3'), 100% D2O" _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 "DNA (5'-D(*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*GP*T)-3')" 'natural abundance' 1 $assembly 1 $entity_1 . . 0.6 . . mM . . . . 34386 2 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 34386 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 120 . mM 34386 1 pH 7.0 . pH 34386 1 pressure 1 . atm 34386 1 temperature 283 . K 34386 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34386 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 120 . mM 34386 2 pH 7.0 . pD 34386 2 pressure 1 . atm 34386 2 temperature 283 . K 34386 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34386 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34386 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34386 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34386 _Software.ID 2 _Software.Type . _Software.Name AMBER14 _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34386 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34386 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34386 _Software.ID 3 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34386 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34386 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34386 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34386 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34386 4 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 34386 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34386 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34386 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34386 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 34386 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34386 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 34386 1 2 NMR_spectrometer_2 Bruker AvanceIII . 850 . . . 34386 1 3 NMR_spectrometer_3 Agilent DD2 . 600 . . . 34386 1 4 NMR_spectrometer_4 Bruker AvanceIII . 950 . . . 34386 1 5 NMR_spectrometer_5 Bruker AvanceIII . 600 . . . 34386 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34386 _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 NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34386 1 2 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34386 1 3 '2D TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34386 1 4 '2D DQF COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34386 1 5 '1D 15N-edited HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34386 1 6 '2D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 34386 1 7 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 34386 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 34386 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34386 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 34386 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 NOESY' . . . 34386 1 2 '2D NOESY' . . . 34386 1 3 '2D TOCSY' . . . 34386 1 4 '2D DQF COSY' . . . 34386 1 5 '1D 15N-edited HSQC' . . . 34386 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 . . 34386 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 1 1 DG H1 H 1 11.215 0.003 8 . . . . . A 1 DG H1 . 34386 1 2 . 1 . 1 1 1 DG H1' H 1 6.154 0.002 15 . . . . . A 1 DG H1' . 34386 1 3 . 1 . 1 1 1 DG H2' H 1 2.885 0.002 19 . . . . . A 1 DG H2' . 34386 1 4 . 1 . 1 1 1 DG H2'' H 1 2.599 0.002 14 . . . . . A 1 DG H2'' . 34386 1 5 . 1 . 1 1 1 DG H3' H 1 4.877 0.003 15 . . . . . A 1 DG H3' . 34386 1 6 . 1 . 1 1 1 DG H4' H 1 4.326 0.002 15 . . . . . A 1 DG H4' . 34386 1 7 . 1 . 1 1 1 DG H5' H 1 3.753 0.003 11 . . . . . A 1 DG H5' . 34386 1 8 . 1 . 1 1 1 DG H5'' H 1 3.878 0.002 11 . . . . . A 1 DG H5'' . 34386 1 9 . 1 . 1 1 1 DG H8 H 1 6.971 0.003 24 . . . . . A 1 DG H8 . 34386 1 10 . 1 . 1 1 1 DG H21 H 1 8.849 0.002 4 . . . . . A 1 DG H21 . 34386 1 11 . 1 . 1 2 2 DT H1' H 1 6.263 0.001 12 . . . . . A 2 DT H1' . 34386 1 12 . 1 . 1 2 2 DT H2' H 1 2.287 0.003 10 . . . . . A 2 DT H2' . 34386 1 13 . 1 . 1 2 2 DT H2'' H 1 2.417 0.003 8 . . . . . A 2 DT H2'' . 34386 1 14 . 1 . 1 2 2 DT H3' H 1 4.717 0.001 2 . . . . . A 2 DT H3' . 34386 1 15 . 1 . 1 2 2 DT H4' H 1 4.277 0.003 11 . . . . . A 2 DT H4' . 34386 1 16 . 1 . 1 2 2 DT H5' H 1 4.043 0.003 4 . . . . . A 2 DT H5' . 34386 1 17 . 1 . 1 2 2 DT H5'' H 1 3.992 0.002 5 . . . . . A 2 DT H5'' . 34386 1 18 . 1 . 1 2 2 DT H6 H 1 7.633 0.003 13 . . . . . A 2 DT H6 . 34386 1 19 . 1 . 1 2 2 DT H71 H 1 1.719 0.001 8 . . . . . A 2 DT H71 . 34386 1 20 . 1 . 1 2 2 DT H72 H 1 1.719 0.001 8 . . . . . A 2 DT H72 . 34386 1 21 . 1 . 1 2 2 DT H73 H 1 1.719 0.001 8 . . . . . A 2 DT H73 . 34386 1 22 . 1 . 1 3 3 DG H1 H 1 10.874 0.001 12 . . . . . A 3 DG H1 . 34386 1 23 . 1 . 1 3 3 DG H1' H 1 5.073 0.003 16 . . . . . A 3 DG H1' . 34386 1 24 . 1 . 1 3 3 DG H2' H 1 1.901 0.003 9 . . . . . A 3 DG H2' . 34386 1 25 . 1 . 1 3 3 DG H2'' H 1 1.972 0.003 9 . . . . . A 3 DG H2'' . 34386 1 26 . 1 . 1 3 3 DG H3' H 1 4.855 0.002 9 . . . . . A 3 DG H3' . 34386 1 27 . 1 . 1 3 3 DG H4' H 1 4.134 0.003 13 . . . . . A 3 DG H4' . 34386 1 28 . 1 . 1 3 3 DG H5' H 1 3.974 0.002 5 . . . . . A 3 DG H5' . 34386 1 29 . 1 . 1 3 3 DG H5'' H 1 3.896 0.003 5 . . . . . A 3 DG H5'' . 34386 1 30 . 1 . 1 3 3 DG H8 H 1 6.905 0.002 23 . . . . . A 3 DG H8 . 34386 1 31 . 1 . 1 3 3 DG H21 H 1 9.234 0 1 . . . . . A 3 DG H21 . 34386 1 32 . 1 . 1 3 3 DG H22 H 1 5.767 0 1 . . . . . A 3 DG H22 . 34386 1 33 . 1 . 1 4 4 DT H1' H 1 6.125 0.002 14 . . . . . A 4 DT H1' . 34386 1 34 . 1 . 1 4 4 DT H2' H 1 1.577 0.002 16 . . . . . A 4 DT H2' . 34386 1 35 . 1 . 1 4 4 DT H2'' H 1 2.554 0.002 12 . . . . . A 4 DT H2'' . 34386 1 36 . 1 . 1 4 4 DT H3 H 1 11.902 0.002 10 . . . . . A 4 DT H3 . 34386 1 37 . 1 . 1 4 4 DT H3' H 1 4.778 0.001 7 . . . . . A 4 DT H3' . 34386 1 38 . 1 . 1 4 4 DT H4' H 1 4.396 0.003 11 . . . . . A 4 DT H4' . 34386 1 39 . 1 . 1 4 4 DT H5' H 1 4.136 0.002 6 . . . . . A 4 DT H5' . 34386 1 40 . 1 . 1 4 4 DT H5'' H 1 3.954 0.003 6 . . . . . A 4 DT H5'' . 34386 1 41 . 1 . 1 4 4 DT H6 H 1 7.838 0.001 16 . . . . . A 4 DT H6 . 34386 1 42 . 1 . 1 4 4 DT H71 H 1 1.811 0.001 9 . . . . . A 4 DT H71 . 34386 1 43 . 1 . 1 4 4 DT H72 H 1 1.811 0.001 9 . . . . . A 4 DT H72 . 34386 1 44 . 1 . 1 4 4 DT H73 H 1 1.811 0.001 9 . . . . . A 4 DT H73 . 34386 1 45 . 1 . 1 5 5 DG H1' H 1 5.621 0.002 17 . . . . . A 5 DG H1' . 34386 1 46 . 1 . 1 5 5 DG H2' H 1 1.893 0.002 11 . . . . . A 5 DG H2' . 34386 1 47 . 1 . 1 5 5 DG H2'' H 1 2.049 0.003 12 . . . . . A 5 DG H2'' . 34386 1 48 . 1 . 1 5 5 DG H3' H 1 4.477 0.003 13 . . . . . A 5 DG H3' . 34386 1 49 . 1 . 1 5 5 DG H4' H 1 3.874 0.002 9 . . . . . A 5 DG H4' . 34386 1 50 . 1 . 1 5 5 DG H5'' H 1 3.998 0.003 6 . . . . . A 5 DG H5'' . 34386 1 51 . 1 . 1 5 5 DG H8 H 1 7.536 0.002 22 . . . . . A 5 DG H8 . 34386 1 52 . 1 . 1 6 6 DT H1' H 1 5.933 0.001 14 . . . . . A 6 DT H1' . 34386 1 53 . 1 . 1 6 6 DT H2' H 1 1.77 0.002 14 . . . . . A 6 DT H2' . 34386 1 54 . 1 . 1 6 6 DT H2'' H 1 1.937 0.002 14 . . . . . A 6 DT H2'' . 34386 1 55 . 1 . 1 6 6 DT H3' H 1 4.439 0.003 15 . . . . . A 6 DT H3' . 34386 1 56 . 1 . 1 6 6 DT H4' H 1 4.031 0.002 18 . . . . . A 6 DT H4' . 34386 1 57 . 1 . 1 6 6 DT H5' H 1 2.541 0.003 10 . . . . . A 6 DT H5' . 34386 1 58 . 1 . 1 6 6 DT H5'' H 1 3.382 0.003 10 . . . . . A 6 DT H5'' . 34386 1 59 . 1 . 1 6 6 DT H6 H 1 7.113 0.001 18 . . . . . A 6 DT H6 . 34386 1 60 . 1 . 1 6 6 DT H71 H 1 1.237 0 5 . . . . . A 6 DT H71 . 34386 1 61 . 1 . 1 6 6 DT H72 H 1 1.237 0 5 . . . . . A 6 DT H72 . 34386 1 62 . 1 . 1 6 6 DT H73 H 1 1.237 0 5 . . . . . A 6 DT H73 . 34386 1 63 . 1 . 1 7 7 DG H1 H 1 11.992 0.002 9 . . . . . A 7 DG H1 . 34386 1 64 . 1 . 1 7 7 DG H1' H 1 6.105 0.002 21 . . . . . A 7 DG H1' . 34386 1 65 . 1 . 1 7 7 DG H2' H 1 2.415 0.002 20 . . . . . A 7 DG H2' . 34386 1 66 . 1 . 1 7 7 DG H2'' H 1 2.746 0.003 23 . . . . . A 7 DG H2'' . 34386 1 67 . 1 . 1 7 7 DG H3' H 1 5.242 0.003 18 . . . . . A 7 DG H3' . 34386 1 68 . 1 . 1 7 7 DG H4' H 1 4.033 0.002 11 . . . . . A 7 DG H4' . 34386 1 69 . 1 . 1 7 7 DG H8 H 1 7.416 0.002 22 . . . . . A 7 DG H8 . 34386 1 70 . 1 . 1 7 7 DG H21 H 1 8.302 0 1 . . . . . A 7 DG H21 . 34386 1 71 . 1 . 1 7 7 DG H22 H 1 6.922 0 1 . . . . . A 7 DG H22 . 34386 1 72 . 1 . 1 8 8 DG H1 H 1 11.927 0.003 11 . . . . . A 8 DG H1 . 34386 1 73 . 1 . 1 8 8 DG H1' H 1 5.583 0.003 19 . . . . . A 8 DG H1' . 34386 1 74 . 1 . 1 8 8 DG H2' H 1 2.276 0.003 8 . . . . . A 8 DG H2' . 34386 1 75 . 1 . 1 8 8 DG H2'' H 1 2.497 0.002 7 . . . . . A 8 DG H2'' . 34386 1 76 . 1 . 1 8 8 DG H3' H 1 3.824 0.001 7 . . . . . A 8 DG H3' . 34386 1 77 . 1 . 1 8 8 DG H4' H 1 4.877 0.002 14 . . . . . A 8 DG H4' . 34386 1 78 . 1 . 1 8 8 DG H5' H 1 4.181 0.002 8 . . . . . A 8 DG H5' . 34386 1 79 . 1 . 1 8 8 DG H5'' H 1 3.830 0.003 5 . . . . . A 8 DG H5'' . 34386 1 80 . 1 . 1 8 8 DG H8 H 1 7.731 0.003 19 . . . . . A 8 DG H8 . 34386 1 81 . 1 . 1 8 8 DG H21 H 1 9.070 0.002 8 . . . . . A 8 DG H21 . 34386 1 82 . 1 . 1 9 9 DG H1 H 1 11.216 0.003 12 . . . . . A 9 DG H1 . 34386 1 83 . 1 . 1 9 9 DG H1' H 1 6.117 0.002 17 . . . . . A 9 DG H1' . 34386 1 84 . 1 . 1 9 9 DG H2' H 1 1.800 0.003 15 . . . . . A 9 DG H2' . 34386 1 85 . 1 . 1 9 9 DG H2'' H 1 2.543 0.002 18 . . . . . A 9 DG H2'' . 34386 1 86 . 1 . 1 9 9 DG H3' H 1 4.917 0.002 20 . . . . . A 9 DG H3' . 34386 1 87 . 1 . 1 9 9 DG H4' H 1 4.357 0.003 16 . . . . . A 9 DG H4' . 34386 1 88 . 1 . 1 9 9 DG H5' H 1 4.225 0.003 13 . . . . . A 9 DG H5' . 34386 1 89 . 1 . 1 9 9 DG H5'' H 1 3.938 0.002 14 . . . . . A 9 DG H5'' . 34386 1 90 . 1 . 1 9 9 DG H8 H 1 6.978 0.002 34 . . . . . A 9 DG H8 . 34386 1 91 . 1 . 1 9 9 DG H21 H 1 8.863 0.001 2 . . . . . A 9 DG H21 . 34386 1 92 . 1 . 1 9 9 DG H22 H 1 6.467 0 2 . . . . . A 9 DG H22 . 34386 1 93 . 1 . 1 10 10 DT H1' H 1 6.357 0.002 20 . . . . . A 10 DT H1' . 34386 1 94 . 1 . 1 10 10 DT H2' H 1 2.218 0.002 13 . . . . . A 10 DT H2' . 34386 1 95 . 1 . 1 10 10 DT H2'' H 1 2.455 0.002 13 . . . . . A 10 DT H2'' . 34386 1 96 . 1 . 1 10 10 DT H3' H 1 4.783 0.003 11 . . . . . A 10 DT H3' . 34386 1 97 . 1 . 1 10 10 DT H4' H 1 4.341 0.002 12 . . . . . A 10 DT H4' . 34386 1 98 . 1 . 1 10 10 DT H5' H 1 3.808 0.001 8 . . . . . A 10 DT H5' . 34386 1 99 . 1 . 1 10 10 DT H6 H 1 7.741 0.003 18 . . . . . A 10 DT H6 . 34386 1 100 . 1 . 1 10 10 DT H71 H 1 1.896 0.001 15 . . . . . A 10 DT H71 . 34386 1 101 . 1 . 1 10 10 DT H72 H 1 1.896 0.001 15 . . . . . A 10 DT H72 . 34386 1 102 . 1 . 1 10 10 DT H73 H 1 1.896 0.001 15 . . . . . A 10 DT H73 . 34386 1 103 . 1 . 1 11 11 DG H1 H 1 11.105 0.002 7 . . . . . A 11 DG H1 . 34386 1 104 . 1 . 1 11 11 DG H1' H 1 5.867 0.001 17 . . . . . A 11 DG H1' . 34386 1 105 . 1 . 1 11 11 DG H2' H 1 2.223 0.002 4 . . . . . A 11 DG H2' . 34386 1 106 . 1 . 1 11 11 DG H2'' H 1 2.497 0.003 5 . . . . . A 11 DG H2'' . 34386 1 107 . 1 . 1 11 11 DG H4' H 1 4.253 0.002 6 . . . . . A 11 DG H4' . 34386 1 108 . 1 . 1 11 11 DG H5' H 1 3.938 0 2 . . . . . A 11 DG H5' . 34386 1 109 . 1 . 1 11 11 DG H5'' H 1 3.878 0 1 . . . . . A 11 DG H5'' . 34386 1 110 . 1 . 1 11 11 DG H8 H 1 7.633 0.002 21 . . . . . A 11 DG H8 . 34386 1 111 . 1 . 1 12 12 DT H1' H 1 5.732 0.002 11 . . . . . A 12 DT H1' . 34386 1 112 . 1 . 1 12 12 DT H2' H 1 1.841 0.002 4 . . . . . A 12 DT H2' . 34386 1 113 . 1 . 1 12 12 DT H2'' H 1 1.841 0.003 11 . . . . . A 12 DT H2'' . 34386 1 114 . 1 . 1 12 12 DT H3' H 1 4.150 0.002 15 . . . . . A 12 DT H3' . 34386 1 115 . 1 . 1 12 12 DT H4' H 1 3.545 0.001 13 . . . . . A 12 DT H4' . 34386 1 116 . 1 . 1 12 12 DT H5' H 1 3.676 0.001 8 . . . . . A 12 DT H5' . 34386 1 117 . 1 . 1 12 12 DT H5'' H 1 3.773 0.003 6 . . . . . A 12 DT H5'' . 34386 1 118 . 1 . 1 12 12 DT H6 H 1 7.138 0.001 22 . . . . . A 12 DT H6 . 34386 1 119 . 1 . 1 12 12 DT H71 H 1 1.158 0.002 8 . . . . . A 12 DT H71 . 34386 1 120 . 1 . 1 12 12 DT H72 H 1 1.158 0.002 8 . . . . . A 12 DT H72 . 34386 1 121 . 1 . 1 12 12 DT H73 H 1 1.158 0.002 8 . . . . . A 12 DT H73 . 34386 1 122 . 1 . 1 13 13 DG H1' H 1 5.723 0.001 2 . . . . . A 13 DG H1' . 34386 1 123 . 1 . 1 13 13 DG H2' H 1 2.273 0.002 6 . . . . . A 13 DG H2' . 34386 1 124 . 1 . 1 13 13 DG H2'' H 1 2.375 0.002 10 . . . . . A 13 DG H2'' . 34386 1 125 . 1 . 1 13 13 DG H3' H 1 4.591 0.002 8 . . . . . A 13 DG H3' . 34386 1 126 . 1 . 1 13 13 DG H4' H 1 3.973 0.002 6 . . . . . A 13 DG H4' . 34386 1 127 . 1 . 1 13 13 DG H8 H 1 7.641 0.002 6 . . . . . A 13 DG H8 . 34386 1 128 . 1 . 1 14 14 DT H1' H 1 5.756 0.002 6 . . . . . A 14 DT H1' . 34386 1 129 . 1 . 1 14 14 DT H2' H 1 1.633 0.003 6 . . . . . A 14 DT H2' . 34386 1 130 . 1 . 1 14 14 DT H2'' H 1 2.028 0.003 8 . . . . . A 14 DT H2'' . 34386 1 131 . 1 . 1 14 14 DT H3' H 1 4.514 0.002 5 . . . . . A 14 DT H3' . 34386 1 132 . 1 . 1 14 14 DT H6 H 1 7.067 0.002 7 . . . . . A 14 DT H6 . 34386 1 133 . 1 . 1 14 14 DT H71 H 1 1.387 0.001 3 . . . . . A 14 DT H71 . 34386 1 134 . 1 . 1 14 14 DT H72 H 1 1.387 0.001 3 . . . . . A 14 DT H72 . 34386 1 135 . 1 . 1 14 14 DT H73 H 1 1.387 0.001 3 . . . . . A 14 DT H73 . 34386 1 stop_ save_