data_25890 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 25890 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1' . . 25890 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1' 25890 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 25888 'F1F2-DNA complex' . 25890 1 1 25889 'F1F2 free' . 25890 1 1 25890 'DNA free' . 25890 1 1 25891 'F1F2F3-DNA complex' . 25890 1 1 25892 'F1F2F3 free' . 25890 1 1 25893 'F3 free' . 25890 1 1 25894 'F1F2F3-WGR-DNA complex' . 25890 1 1 25895 'WGR free' . 25890 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25890 _Entry.Title ; 1H chemical shift assignments for 45 nucleotide DNA dumbbell (model for single-strand break with one-nucleotide gap) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-08 _Entry.Accession_date 2015-10-08 _Entry.Last_release_date 2015-11-25 _Entry.Original_release_date 2015-11-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 David Neuhaus . . . . 25890 2 Sebastian Eustermann . . . . 25890 3 Ji-Chun Yang . . . . 25890 4 Wing-Fung Wu . . . . 25890 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25890 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN/DNA . 25890 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25890 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 340 25890 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 3 . . 2016-10-07 2015-11-11 update author 'update entry title, etc.' 25890 2 . . 2016-07-22 2015-11-11 update BMRB 'update entry citation' 25890 1 . . 2015-11-25 2015-11-11 original author 'original release' 25890 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25888 'F1F2-DNA complex' 25890 BMRB 25889 'F1F2 free' 25890 BMRB 25891 'F1F2F3-DNA complex' 25890 BMRB 25892 'F1F2F3 free' 25890 BMRB 25893 'F3 free' 25890 BMRB 25894 'F1F2F3-WGR-DNA complex' 25890 BMRB 25895 'WGR free' 25890 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25890 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.molcel.2015.10.032 _Citation.PubMed_ID 26626479 _Citation.Full_citation . _Citation.Title ; Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 5 _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 742 _Citation.Page_last 754 _Citation.Year 2015 _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 Sebastian Eustermann . . . . 25890 1 2 Wing-Fung Wu . . . . 25890 1 3 Marie-France Langelier . . . . 25890 1 4 Ji-Chun Yang . . . . 25890 1 5 Laura Easton . E. . . 25890 1 6 Amanda Riccio . . . . 25890 1 7 John Pascal . M. . . 25890 1 8 David Neuhaus . . . . 25890 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25890 _Assembly.ID 1 _Assembly.Name 'DNA free' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'DNA (45-MER)' 1 $DNA_(45-MER) B . yes native no no . . . 25890 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_(45-MER) _Entity.Sf_category entity _Entity.Sf_framecode DNA_(45-MER) _Entity.Entry_ID 25890 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_(45-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCTGGCTTCGTAAGAAGCCA GCTCGCGGTCAGCTTGCTGA CCGCG ; _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 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13871.971 _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 . 25890 1 2 . DC . 25890 1 3 . DT . 25890 1 4 . DG . 25890 1 5 . DG . 25890 1 6 . DC . 25890 1 7 . DT . 25890 1 8 . DT . 25890 1 9 . DC . 25890 1 10 . DG . 25890 1 11 . DT . 25890 1 12 . DA . 25890 1 13 . DA . 25890 1 14 . DG . 25890 1 15 . DA . 25890 1 16 . DA . 25890 1 17 . DG . 25890 1 18 . DC . 25890 1 19 . DC . 25890 1 20 . DA . 25890 1 21 . DG . 25890 1 22 . DC . 25890 1 23 . DT . 25890 1 24 . DC . 25890 1 25 . DG . 25890 1 26 . DC . 25890 1 27 . DG . 25890 1 28 . DG . 25890 1 29 . DT . 25890 1 30 . DC . 25890 1 31 . DA . 25890 1 32 . DG . 25890 1 33 . DC . 25890 1 34 . DT . 25890 1 35 . DT . 25890 1 36 . DG . 25890 1 37 . DC . 25890 1 38 . DT . 25890 1 39 . DG . 25890 1 40 . DA . 25890 1 41 . DC . 25890 1 42 . DC . 25890 1 43 . DG . 25890 1 44 . DC . 25890 1 45 . DG . 25890 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 25890 1 . DC 2 2 25890 1 . DT 3 3 25890 1 . DG 4 4 25890 1 . DG 5 5 25890 1 . DC 6 6 25890 1 . DT 7 7 25890 1 . DT 8 8 25890 1 . DC 9 9 25890 1 . DG 10 10 25890 1 . DT 11 11 25890 1 . DA 12 12 25890 1 . DA 13 13 25890 1 . DG 14 14 25890 1 . DA 15 15 25890 1 . DA 16 16 25890 1 . DG 17 17 25890 1 . DC 18 18 25890 1 . DC 19 19 25890 1 . DA 20 20 25890 1 . DG 21 21 25890 1 . DC 22 22 25890 1 . DT 23 23 25890 1 . DC 24 24 25890 1 . DG 25 25 25890 1 . DC 26 26 25890 1 . DG 27 27 25890 1 . DG 28 28 25890 1 . DT 29 29 25890 1 . DC 30 30 25890 1 . DA 31 31 25890 1 . DG 32 32 25890 1 . DC 33 33 25890 1 . DT 34 34 25890 1 . DT 35 35 25890 1 . DG 36 36 25890 1 . DC 37 37 25890 1 . DT 38 38 25890 1 . DG 39 39 25890 1 . DA 40 40 25890 1 . DC 41 41 25890 1 . DC 42 42 25890 1 . DG 43 43 25890 1 . DC 44 44 25890 1 . DG 45 45 25890 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 25890 _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 $DNA_(45-MER) . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25890 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 25890 _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 $DNA_(45-MER) . 'chemical synthesis' . . . . . . . . . . . . . . . . 25890 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_free_DNA_D2O _Sample.Sf_category sample _Sample.Sf_framecode free_DNA_D2O _Sample.Entry_ID 25890 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 (45-MER)' 'natural abundance' . . 1 $DNA_(45-MER) . . 0.2 . . mM . . . . 25890 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 25890 1 3 DTT [U-2H] . . . . . . 1 . . mM . . . . 25890 1 4 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25890 1 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25890 1 stop_ save_ save_free_DNA_H2O _Sample.Sf_category sample _Sample.Sf_framecode free_DNA_H2O _Sample.Entry_ID 25890 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/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 'DNA (45-MER)' 'natural abundance' . . 1 $DNA_(45-MER) . . 0.2 . . mM . . . . 25890 2 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 25890 2 3 DTT [U-2H] . . . . . . 1 . . mM . . . . 25890 2 4 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25890 2 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25890 2 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25890 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 25890 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 25890 1 pH 7.2 . pH 25890 1 pressure 1 . atm 25890 1 temperature 273 . K 25890 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 25890 _Sample_condition_list.ID 2 _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' 0.05 . M 25890 2 pH 7.2 . pH 25890 2 pressure 1 . atm 25890 2 temperature 273 . K 25890 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 25890 _Sample_condition_list.ID 3 _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' 0.25 . M 25890 3 pH 7.2 . pH 25890 3 pressure 1 . atm 25890 3 temperature 273 . K 25890 3 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25890 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.28 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25890 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25890 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25890 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25890 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25890 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25890 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25890 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25890 3 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25890 _Software.ID 4 _Software.Name Analysis _Software.Version 2.4.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25890 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25890 4 'data analysis' 25890 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25890 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25890 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25890 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av800 _NMR_spectrometer.Entry_ID 25890 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance I' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_av700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av700 _NMR_spectrometer.Entry_ID 25890 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_dmx600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode dmx600 _NMR_spectrometer.Entry_ID 25890 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_drx500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode drx500 _NMR_spectrometer.Entry_ID 25890 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25890 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 av800 Bruker 'Avance I' . 800 . . . 25890 1 2 av700 Bruker 'Avance II+' . 700 . . . 25890 1 3 dmx600 Bruker DMX . 600 . . . 25890 1 4 drx500 Bruker DRX . 500 . . . 25890 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 25890 _Experiment_list.ID 1 _Experiment_list.Details 'Sample numbers used here may not correspond to those used in the supplementary material for the primary citation.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $free_DNA_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25890 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $free_DNA_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25890 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $free_DNA_H2O isotropic . . 2 $sample_conditions_2 . . . 1 $av800 . . . . . . . . . . . . . . . . 25890 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $free_DNA_H2O isotropic . . 2 $sample_conditions_2 . . . 1 $av800 . . . . . . . . . . . . . . . . 25890 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25890 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 25890 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 25890 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 25890 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_free_DNA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode free_DNA _Assigned_chem_shift_list.Entry_ID 25890 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 25890 1 2 '2D 1H-1H NOESY' . . . 25890 1 3 '2D 1H-1H TOCSY' . . . 25890 1 4 '2D 1H-1H NOESY' . . . 25890 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DG H1' H 1 6.054 0.02 . 1 . . . . 1 DG H1' . 25890 1 2 . 1 1 1 1 DG H2' H 1 2.755 0.02 . 2 . . . . 1 DG H2' . 25890 1 3 . 1 1 1 1 DG H2'' H 1 2.812 0.02 . 2 . . . . 1 DG H2'' . 25890 1 4 . 1 1 1 1 DG H3' H 1 4.972 0.02 . 1 . . . . 1 DG H3' . 25890 1 5 . 1 1 1 1 DG H4' H 1 4.380 0.02 . 1 . . . . 1 DG H4' . 25890 1 6 . 1 1 1 1 DG H5' H 1 3.910 0.02 . 2 . . . . 1 DG H5' . 25890 1 7 . 1 1 1 1 DG H5'' H 1 3.988 0.02 . 2 . . . . 1 DG H5'' . 25890 1 8 . 1 1 1 1 DG H8 H 1 8.139 0.02 . 1 . . . . 1 DG H8 . 25890 1 9 . 1 1 2 2 DC H1' H 1 6.101 0.02 . 1 . . . . 2 DC H1' . 25890 1 10 . 1 1 2 2 DC H2' H 1 2.083 0.02 . 2 . . . . 2 DC H2' . 25890 1 11 . 1 1 2 2 DC H2'' H 1 2.533 0.02 . 2 . . . . 2 DC H2'' . 25890 1 12 . 1 1 2 2 DC H3' H 1 4.847 0.02 . 1 . . . . 2 DC H3' . 25890 1 13 . 1 1 2 2 DC H5 H 1 5.382 0.02 . 2 . . . . 2 DC H5 . 25890 1 14 . 1 1 2 2 DC H6 H 1 7.503 0.02 . 2 . . . . 2 DC H6 . 25890 1 15 . 1 1 2 2 DC H41 H 1 8.340 0.02 . 1 . . . . 2 DC H41 . 25890 1 16 . 1 1 3 3 DT H1' H 1 5.714 0.02 . 1 . . . . 3 DT H1' . 25890 1 17 . 1 1 3 3 DT H2' H 1 2.032 0.02 . 2 . . . . 3 DT H2' . 25890 1 18 . 1 1 3 3 DT H2'' H 1 2.391 0.02 . 2 . . . . 3 DT H2'' . 25890 1 19 . 1 1 3 3 DT H3 H 1 14.024 0.02 . 1 . . . . 3 DT H3 . 25890 1 20 . 1 1 3 3 DT H3' H 1 4.858 0.02 . 1 . . . . 3 DT H3' . 25890 1 21 . 1 1 3 3 DT H6 H 1 7.310 0.02 . 1 . . . . 3 DT H6 . 25890 1 22 . 1 1 3 3 DT H71 H 1 1.628 0.02 . 1 . . . . 3 DT H71 . 25890 1 23 . 1 1 3 3 DT H72 H 1 1.628 0.02 . 1 . . . . 3 DT H72 . 25890 1 24 . 1 1 3 3 DT H73 H 1 1.628 0.02 . 1 . . . . 3 DT H73 . 25890 1 25 . 1 1 4 4 DG H1 H 1 12.915 0.02 . 1 . . . . 4 DG H1 . 25890 1 26 . 1 1 4 4 DG H1' H 1 5.710 0.02 . 7 . . . . 4 DG H1' . 25890 1 27 . 1 1 4 4 DG H2' H 1 2.675 0.02 . 2 . . . . 4 DG H2' . 25890 1 28 . 1 1 4 4 DG H2'' H 1 2.777 0.02 . 2 . . . . 4 DG H2'' . 25890 1 29 . 1 1 4 4 DG H3' H 1 5.003 0.02 . 1 . . . . 4 DG H3' . 25890 1 30 . 1 1 4 4 DG H4' H 1 4.364 0.02 . 1 . . . . 4 DG H4' . 25890 1 31 . 1 1 4 4 DG H5' H 1 4.059 0.02 . 2 . . . . 4 DG H5' . 25890 1 32 . 1 1 4 4 DG H5'' H 1 4.120 0.02 . 2 . . . . 4 DG H5'' . 25890 1 33 . 1 1 4 4 DG H8 H 1 7.864 0.02 . 1 . . . . 4 DG H8 . 25890 1 34 . 1 1 4 4 DG H21 H 1 6.723 0.02 . 1 . . . . 4 DG H21 . 25890 1 35 . 1 1 5 5 DG H1 H 1 12.934 0.02 . 1 . . . . 5 DG H1 . 25890 1 36 . 1 1 5 5 DG H1' H 1 5.866 0.02 . 1 . . . . 5 DG H1' . 25890 1 37 . 1 1 5 5 DG H2' H 1 2.572 0.02 . 2 . . . . 5 DG H2' . 25890 1 38 . 1 1 5 5 DG H2'' H 1 2.692 0.02 . 2 . . . . 5 DG H2'' . 25890 1 39 . 1 1 5 5 DG H3' H 1 4.965 0.02 . 1 . . . . 5 DG H3' . 25890 1 40 . 1 1 5 5 DG H4' H 1 4.404 0.02 . 1 . . . . 5 DG H4' . 25890 1 41 . 1 1 5 5 DG H8 H 1 7.707 0.02 . 1 . . . . 5 DG H8 . 25890 1 42 . 1 1 5 5 DG H21 H 1 6.176 0.02 . 1 . . . . 5 DG H21 . 25890 1 43 . 1 1 6 6 DC H1' H 1 5.906 0.02 . 1 . . . . 6 DC H1' . 25890 1 44 . 1 1 6 6 DC H2' H 1 2.127 0.02 . 2 . . . . 6 DC H2' . 25890 1 45 . 1 1 6 6 DC H2'' H 1 2.535 0.02 . 2 . . . . 6 DC H2'' . 25890 1 46 . 1 1 6 6 DC H3' H 1 4.723 0.02 . 1 . . . . 6 DC H3' . 25890 1 47 . 1 1 6 6 DC H5 H 1 5.242 0.02 . 1 . . . . 6 DC H5 . 25890 1 48 . 1 1 6 6 DC H5' H 1 4.161 0.02 . 2 . . . . 6 DC H5' . 25890 1 49 . 1 1 6 6 DC H5'' H 1 4.221 0.02 . 2 . . . . 6 DC H5'' . 25890 1 50 . 1 1 6 6 DC H6 H 1 7.367 0.02 . 1 . . . . 6 DC H6 . 25890 1 51 . 1 1 6 6 DC H41 H 1 8.059 0.02 . 1 . . . . 6 DC H41 . 25890 1 52 . 1 1 7 7 DT H1' H 1 6.040 0.02 . 1 . . . . 7 DT H1' . 25890 1 53 . 1 1 7 7 DT H2' H 1 2.172 0.02 . 2 . . . . 7 DT H2' . 25890 1 54 . 1 1 7 7 DT H2'' H 1 2.612 0.02 . 1 . . . . 7 DT H2'' . 25890 1 55 . 1 1 7 7 DT H3 H 1 14.097 0.02 . 1 . . . . 7 DT H3 . 25890 1 56 . 1 1 7 7 DT H3' H 1 4.862 0.02 . 1 . . . . 7 DT H3' . 25890 1 57 . 1 1 7 7 DT H5' H 1 4.107 0.02 . 2 . . . . 7 DT H5' . 25890 1 58 . 1 1 7 7 DT H5'' H 1 4.190 0.02 . 2 . . . . 7 DT H5'' . 25890 1 59 . 1 1 7 7 DT H6 H 1 7.465 0.02 . 1 . . . . 7 DT H6 . 25890 1 60 . 1 1 7 7 DT H71 H 1 1.596 0.02 . 1 . . . . 7 DT H71 . 25890 1 61 . 1 1 7 7 DT H72 H 1 1.596 0.02 . 1 . . . . 7 DT H72 . 25890 1 62 . 1 1 7 7 DT H73 H 1 1.596 0.02 . 1 . . . . 7 DT H73 . 25890 1 63 . 1 1 8 8 DT H1' H 1 6.075 0.02 . 1 . . . . 8 DT H1' . 25890 1 64 . 1 1 8 8 DT H2' H 1 1.978 0.02 . 2 . . . . 8 DT H2' . 25890 1 65 . 1 1 8 8 DT H2'' H 1 2.419 0.02 . 2 . . . . 8 DT H2'' . 25890 1 66 . 1 1 8 8 DT H3 H 1 13.921 0.02 . 1 . . . . 8 DT H3 . 25890 1 67 . 1 1 8 8 DT H3' H 1 4.857 0.02 . 1 . . . . 8 DT H3' . 25890 1 68 . 1 1 8 8 DT H5' H 1 4.115 0.02 . 2 . . . . 8 DT H5' . 25890 1 69 . 1 1 8 8 DT H5'' H 1 4.198 0.02 . 2 . . . . 8 DT H5'' . 25890 1 70 . 1 1 8 8 DT H6 H 1 7.410 0.02 . 1 . . . . 8 DT H6 . 25890 1 71 . 1 1 8 8 DT H71 H 1 1.694 0.02 . 1 . . . . 8 DT H71 . 25890 1 72 . 1 1 8 8 DT H72 H 1 1.694 0.02 . 1 . . . . 8 DT H72 . 25890 1 73 . 1 1 8 8 DT H73 H 1 1.694 0.02 . 1 . . . . 8 DT H73 . 25890 1 74 . 1 1 9 9 DC H1' H 1 6.007 0.02 . 1 . . . . 9 DC H1' . 25890 1 75 . 1 1 9 9 DC H2' H 1 1.725 0.02 . 2 . . . . 9 DC H2' . 25890 1 76 . 1 1 9 9 DC H2'' H 1 2.189 0.02 . 2 . . . . 9 DC H2'' . 25890 1 77 . 1 1 9 9 DC H3' H 1 4.819 0.02 . 1 . . . . 9 DC H3' . 25890 1 78 . 1 1 9 9 DC H5 H 1 5.526 0.02 . 1 . . . . 9 DC H5 . 25890 1 79 . 1 1 9 9 DC H6 H 1 7.283 0.02 . 1 . . . . 9 DC H6 . 25890 1 80 . 1 1 9 9 DC H41 H 1 8.755 0.02 . 1 . . . . 9 DC H41 . 25890 1 81 . 1 1 10 10 DG H1' H 1 5.833 0.02 . 1 . . . . 10 DG H1' . 25890 1 82 . 1 1 10 10 DG H2' H 1 2.716 0.02 . 2 . . . . 10 DG H2' . 25890 1 83 . 1 1 10 10 DG H2'' H 1 2.791 0.02 . 2 . . . . 10 DG H2'' . 25890 1 84 . 1 1 10 10 DG H3' H 1 5.085 0.02 . 1 . . . . 10 DG H3' . 25890 1 85 . 1 1 10 10 DG H4' H 1 4.498 0.02 . 1 . . . . 10 DG H4' . 25890 1 86 . 1 1 10 10 DG H5' H 1 4.195 0.02 . 2 . . . . 10 DG H5' . 25890 1 87 . 1 1 10 10 DG H5'' H 1 4.160 0.02 . 2 . . . . 10 DG H5'' . 25890 1 88 . 1 1 10 10 DG H8 H 1 8.096 0.02 . 1 . . . . 10 DG H8 . 25890 1 89 . 1 1 11 11 DT H1' H 1 6.041 0.02 . 1 . . . . 11 DT H1' . 25890 1 90 . 1 1 11 11 DT H2' H 1 1.640 0.02 . 2 . . . . 11 DT H2' . 25890 1 91 . 1 1 11 11 DT H2'' H 1 1.923 0.02 . 2 . . . . 11 DT H2'' . 25890 1 92 . 1 1 11 11 DT H3' H 1 4.422 0.02 . 1 . . . . 11 DT H3' . 25890 1 93 . 1 1 11 11 DT H6 H 1 7.519 0.02 . 1 . . . . 11 DT H6 . 25890 1 94 . 1 1 11 11 DT H71 H 1 1.834 0.02 . 1 . . . . 11 DT H71 . 25890 1 95 . 1 1 11 11 DT H72 H 1 1.834 0.02 . 1 . . . . 11 DT H72 . 25890 1 96 . 1 1 11 11 DT H73 H 1 1.834 0.02 . 1 . . . . 11 DT H73 . 25890 1 97 . 1 1 12 12 DA H1' H 1 6.081 0.02 . 1 . . . . 12 DA H1' . 25890 1 98 . 1 1 12 12 DA H2 H 1 7.836 0.02 . 1 . . . . 12 DA H2 . 25890 1 99 . 1 1 12 12 DA H2' H 1 2.291 0.02 . 2 . . . . 12 DA H2' . 25890 1 100 . 1 1 12 12 DA H2'' H 1 2.553 0.02 . 2 . . . . 12 DA H2'' . 25890 1 101 . 1 1 12 12 DA H3' H 1 4.707 0.02 . 1 . . . . 12 DA H3' . 25890 1 102 . 1 1 12 12 DA H4' H 1 3.989 0.02 . 1 . . . . 12 DA H4' . 25890 1 103 . 1 1 12 12 DA H8 H 1 7.995 0.02 . 1 . . . . 12 DA H8 . 25890 1 104 . 1 1 13 13 DA H1' H 1 6.036 0.02 . 1 . . . . 13 DA H1' . 25890 1 105 . 1 1 13 13 DA H2' H 1 2.327 0.02 . 2 . . . . 13 DA H2' . 25890 1 106 . 1 1 13 13 DA H2'' H 1 2.556 0.02 . 2 . . . . 13 DA H2'' . 25890 1 107 . 1 1 13 13 DA H3' H 1 4.854 0.02 . 1 . . . . 13 DA H3' . 25890 1 108 . 1 1 13 13 DA H8 H 1 7.936 0.02 . 1 . . . . 13 DA H8 . 25890 1 109 . 1 1 14 14 DG H1 H 1 12.854 0.02 . 1 . . . . 14 DG H1 . 25890 1 110 . 1 1 14 14 DG H1' H 1 4.808 0.02 . 1 . . . . 14 DG H1' . 25890 1 111 . 1 1 14 14 DG H2' H 1 2.551 0.02 . 2 . . . . 14 DG H2' . 25890 1 112 . 1 1 14 14 DG H2'' H 1 2.617 0.02 . 2 . . . . 14 DG H2'' . 25890 1 113 . 1 1 14 14 DG H3' H 1 4.922 0.02 . 1 . . . . 14 DG H3' . 25890 1 114 . 1 1 14 14 DG H8 H 1 7.995 0.02 . 1 . . . . 14 DG H8 . 25890 1 115 . 1 1 14 14 DG H21 H 1 7.122 0.02 . 1 . . . . 14 DG H21 . 25890 1 116 . 1 1 15 15 DA H1' H 1 5.894 0.02 . 1 . . . . 15 DA H1' . 25890 1 117 . 1 1 15 15 DA H2 H 1 7.370 0.02 . 1 . . . . 15 DA H2 . 25890 1 118 . 1 1 15 15 DA H2' H 1 2.711 0.02 . 2 . . . . 15 DA H2' . 25890 1 119 . 1 1 15 15 DA H2'' H 1 2.878 0.02 . 2 . . . . 15 DA H2'' . 25890 1 120 . 1 1 15 15 DA H3' H 1 5.085 0.02 . 1 . . . . 15 DA H3' . 25890 1 121 . 1 1 15 15 DA H8 H 1 8.160 0.02 . 1 . . . . 15 DA H8 . 25890 1 122 . 1 1 16 16 DA H1' H 1 6.003 0.02 . 1 . . . . 16 DA H1' . 25890 1 123 . 1 1 16 16 DA H2 H 1 7.560 0.02 . 1 . . . . 16 DA H2 . 25890 1 124 . 1 1 16 16 DA H2' H 1 2.618 0.02 . 2 . . . . 16 DA H2' . 25890 1 125 . 1 1 16 16 DA H2'' H 1 2.833 0.02 . 2 . . . . 16 DA H2'' . 25890 1 126 . 1 1 16 16 DA H3' H 1 5.055 0.02 . 1 . . . . 16 DA H3' . 25890 1 127 . 1 1 16 16 DA H8 H 1 8.053 0.02 . 1 . . . . 16 DA H8 . 25890 1 128 . 1 1 17 17 DG H1 H 1 12.834 0.02 . 1 . . . . 17 DG H1 . 25890 1 129 . 1 1 17 17 DG H1' H 1 5.709 0.02 . 1 . . . . 17 DG H1' . 25890 1 130 . 1 1 17 17 DG H2' H 1 2.463 0.02 . 2 . . . . 17 DG H2' . 25890 1 131 . 1 1 17 17 DG H2'' H 1 2.606 0.02 . 2 . . . . 17 DG H2'' . 25890 1 132 . 1 1 17 17 DG H3' H 1 4.931 0.02 . 1 . . . . 17 DG H3' . 25890 1 133 . 1 1 17 17 DG H8 H 1 7.584 0.02 . 1 . . . . 17 DG H8 . 25890 1 134 . 1 1 17 17 DG H21 H 1 6.496 0.02 . 1 . . . . 17 DG H21 . 25890 1 135 . 1 1 18 18 DC H1' H 1 5.911 0.02 . 1 . . . . 18 DC H1' . 25890 1 136 . 1 1 18 18 DC H2' H 1 2.022 0.02 . 2 . . . . 18 DC H2' . 25890 1 137 . 1 1 18 18 DC H2'' H 1 2.435 0.02 . 2 . . . . 18 DC H2'' . 25890 1 138 . 1 1 18 18 DC H3' H 1 4.772 0.02 . 1 . . . . 18 DC H3' . 25890 1 139 . 1 1 18 18 DC H5 H 1 5.158 0.02 . 1 . . . . 18 DC H5 . 25890 1 140 . 1 1 18 18 DC H6 H 1 7.304 0.02 . 1 . . . . 18 DC H6 . 25890 1 141 . 1 1 18 18 DC H41 H 1 8.088 0.02 . 1 . . . . 18 DC H41 . 25890 1 142 . 1 1 19 19 DC H1' H 1 5.396 0.02 . 1 . . . . 19 DC H1' . 25890 1 143 . 1 1 19 19 DC H2' H 1 2.002 0.02 . 2 . . . . 19 DC H2' . 25890 1 144 . 1 1 19 19 DC H2'' H 1 2.328 0.02 . 2 . . . . 19 DC H2'' . 25890 1 145 . 1 1 19 19 DC H3' H 1 4.817 0.02 . 1 . . . . 19 DC H3' . 25890 1 146 . 1 1 19 19 DC H5 H 1 5.549 0.02 . 1 . . . . 19 DC H5 . 25890 1 147 . 1 1 19 19 DC H6 H 1 7.440 0.02 . 1 . . . . 19 DC H6 . 25890 1 148 . 1 1 19 19 DC H41 H 1 8.480 0.02 . 1 . . . . 19 DC H41 . 25890 1 149 . 1 1 20 20 DA H1' H 1 6.020 0.02 . 1 . . . . 20 DA H1' . 25890 1 150 . 1 1 20 20 DA H2 H 1 7.703 0.02 . 1 . . . . 20 DA H2 . 25890 1 151 . 1 1 20 20 DA H2' H 1 2.708 0.02 . 2 . . . . 20 DA H2' . 25890 1 152 . 1 1 20 20 DA H2'' H 1 2.861 0.02 . 2 . . . . 20 DA H2'' . 25890 1 153 . 1 1 20 20 DA H3' H 1 5.037 0.02 . 1 . . . . 20 DA H3' . 25890 1 154 . 1 1 20 20 DA H4' H 1 4.383 0.02 . 1 . . . . 20 DA H4' . 25890 1 155 . 1 1 20 20 DA H8 H 1 8.183 0.02 . 1 . . . . 20 DA H8 . 25890 1 156 . 1 1 21 21 DG H1 H 1 12.928 0.02 . 1 . . . . 21 DG H1 . 25890 1 157 . 1 1 21 21 DG H1' H 1 5.732 0.02 . 1 . . . . 21 DG H1' . 25890 1 158 . 1 1 21 21 DG H2' H 1 2.446 0.02 . 2 . . . . 21 DG H2' . 25890 1 159 . 1 1 21 21 DG H2'' H 1 2.567 0.02 . 2 . . . . 21 DG H2'' . 25890 1 160 . 1 1 21 21 DG H3' H 1 4.927 0.02 . 1 . . . . 21 DG H3' . 25890 1 161 . 1 1 21 21 DG H8 H 1 7.655 0.02 . 1 . . . . 21 DG H8 . 25890 1 162 . 1 1 21 21 DG H21 H 1 6.673 0.02 . 1 . . . . 21 DG H21 . 25890 1 163 . 1 1 22 22 DC H1' H 1 6.024 0.02 . 1 . . . . 22 DC H1' . 25890 1 164 . 1 1 22 22 DC H2' H 1 2.070 0.02 . 2 . . . . 22 DC H2' . 25890 1 165 . 1 1 22 22 DC H2'' H 1 2.340 0.02 . 2 . . . . 22 DC H2'' . 25890 1 166 . 1 1 22 22 DC H3' H 1 4.915 0.02 . 1 . . . . 22 DC H3' . 25890 1 167 . 1 1 22 22 DC H5 H 1 5.275 0.02 . 1 . . . . 22 DC H5 . 25890 1 168 . 1 1 22 22 DC H6 H 1 7.313 0.02 . 1 . . . . 22 DC H6 . 25890 1 169 . 1 1 23 23 DT H1' H 1 6.017 0.02 . 1 . . . . 23 DT H1' . 25890 1 170 . 1 1 23 23 DT H2' H 1 1.972 0.02 . 2 . . . . 23 DT H2' . 25890 1 171 . 1 1 23 23 DT H2'' H 1 2.303 0.02 . 2 . . . . 23 DT H2'' . 25890 1 172 . 1 1 23 23 DT H3' H 1 4.702 0.02 . 1 . . . . 23 DT H3' . 25890 1 173 . 1 1 23 23 DT H5'' H 1 4.184 0.02 . 1 . . . . 23 DT H5'' . 25890 1 174 . 1 1 23 23 DT H6 H 1 7.309 0.02 . 1 . . . . 23 DT H6 . 25890 1 175 . 1 1 23 23 DT H71 H 1 1.569 0.02 . 1 . . . . 23 DT H71 . 25890 1 176 . 1 1 23 23 DT H72 H 1 1.569 0.02 . 1 . . . . 23 DT H72 . 25890 1 177 . 1 1 23 23 DT H73 H 1 1.569 0.02 . 1 . . . . 23 DT H73 . 25890 1 178 . 1 1 24 24 DC H1' H 1 5.526 0.02 . 1 . . . . 24 DC H1' . 25890 1 179 . 1 1 24 24 DC H2' H 1 2.130 0.02 . 2 . . . . 24 DC H2' . 25890 1 180 . 1 1 24 24 DC H2'' H 1 2.368 0.02 . 2 . . . . 24 DC H2'' . 25890 1 181 . 1 1 24 24 DC H3' H 1 4.775 0.02 . 1 . . . . 24 DC H3' . 25890 1 182 . 1 1 24 24 DC H5 H 1 5.877 0.02 . 1 . . . . 24 DC H5 . 25890 1 183 . 1 1 24 24 DC H6 H 1 7.601 0.02 . 1 . . . . 24 DC H6 . 25890 1 184 . 1 1 25 25 DG H1 H 1 13.077 0.02 . 1 . . . . 25 DG H1 . 25890 1 185 . 1 1 25 25 DG H1' H 1 5.909 0.02 . 1 . . . . 25 DG H1' . 25890 1 186 . 1 1 25 25 DG H2' H 1 2.656 0.02 . 2 . . . . 25 DG H2' . 25890 1 187 . 1 1 25 25 DG H2'' H 1 2.728 0.02 . 2 . . . . 25 DG H2'' . 25890 1 188 . 1 1 25 25 DG H3' H 1 4.978 0.02 . 1 . . . . 25 DG H3' . 25890 1 189 . 1 1 25 25 DG H8 H 1 7.925 0.02 . 1 . . . . 25 DG H8 . 25890 1 190 . 1 1 25 25 DG H21 H 1 6.613 0.02 . 1 . . . . 25 DG H21 . 25890 1 191 . 1 1 26 26 DC H1' H 1 5.756 0.02 . 1 . . . . 26 DC H1' . 25890 1 192 . 1 1 26 26 DC H2' H 1 1.937 0.02 . 2 . . . . 26 DC H2' . 25890 1 193 . 1 1 26 26 DC H2'' H 1 2.399 0.02 . 2 . . . . 26 DC H2'' . 25890 1 194 . 1 1 26 26 DC H3' H 1 4.857 0.02 . 1 . . . . 26 DC H3' . 25890 1 195 . 1 1 26 26 DC H5 H 1 5.374 0.02 . 1 . . . . 26 DC H5 . 25890 1 196 . 1 1 26 26 DC H6 H 1 7.301 0.02 . 1 . . . . 26 DC H6 . 25890 1 197 . 1 1 26 26 DC H41 H 1 8.372 0.02 . 1 . . . . 26 DC H41 . 25890 1 198 . 1 1 27 27 DG H1 H 1 13.059 0.02 . 1 . . . . 27 DG H1 . 25890 1 199 . 1 1 27 27 DG H1' H 1 5.770 0.02 . 1 . . . . 27 DG H1' . 25890 1 200 . 1 1 27 27 DG H2' H 1 2.711 0.02 . 2 . . . . 27 DG H2' . 25890 1 201 . 1 1 27 27 DG H2'' H 1 2.800 0.02 . 2 . . . . 27 DG H2'' . 25890 1 202 . 1 1 27 27 DG H3' H 1 4.994 0.02 . 1 . . . . 27 DG H3' . 25890 1 203 . 1 1 27 27 DG H4' H 1 4.369 0.02 . 1 . . . . 27 DG H4' . 25890 1 204 . 1 1 27 27 DG H8 H 1 7.888 0.02 . 1 . . . . 27 DG H8 . 25890 1 205 . 1 1 27 27 DG H21 H 1 6.694 0.02 . 1 . . . . 27 DG H21 . 25890 1 206 . 1 1 28 28 DG H1 H 1 12.914 0.02 . 1 . . . . 28 DG H1 . 25890 1 207 . 1 1 28 28 DG H1' H 1 5.954 0.02 . 1 . . . . 28 DG H1' . 25890 1 208 . 1 1 28 28 DG H2' H 1 2.482 0.02 . 2 . . . . 28 DG H2' . 25890 1 209 . 1 1 28 28 DG H2'' H 1 2.756 0.02 . 2 . . . . 28 DG H2'' . 25890 1 210 . 1 1 28 28 DG H3' H 1 4.862 0.02 . 1 . . . . 28 DG H3' . 25890 1 211 . 1 1 28 28 DG H8 H 1 7.597 0.02 . 1 . . . . 28 DG H8 . 25890 1 212 . 1 1 28 28 DG H21 H 1 6.482 0.02 . 1 . . . . 28 DG H21 . 25890 1 213 . 1 1 29 29 DT H1' H 1 6.023 0.02 . 1 . . . . 29 DT H1' . 25890 1 214 . 1 1 29 29 DT H2' H 1 2.070 0.02 . 2 . . . . 29 DT H2' . 25890 1 215 . 1 1 29 29 DT H2'' H 1 2.500 0.02 . 2 . . . . 29 DT H2'' . 25890 1 216 . 1 1 29 29 DT H3 H 1 13.665 0.02 . 1 . . . . 29 DT H3 . 25890 1 217 . 1 1 29 29 DT H3' H 1 4.858 0.02 . 1 . . . . 29 DT H3' . 25890 1 218 . 1 1 29 29 DT H6 H 1 7.244 0.02 . 1 . . . . 29 DT H6 . 25890 1 219 . 1 1 29 29 DT H71 H 1 1.301 0.02 . 1 . . . . 29 DT H71 . 25890 1 220 . 1 1 29 29 DT H72 H 1 1.301 0.02 . 1 . . . . 29 DT H72 . 25890 1 221 . 1 1 29 29 DT H73 H 1 1.301 0.02 . 1 . . . . 29 DT H73 . 25890 1 222 . 1 1 30 30 DC H1' H 1 5.485 0.02 . 1 . . . . 30 DC H1' . 25890 1 223 . 1 1 30 30 DC H2' H 1 2.020 0.02 . 2 . . . . 30 DC H2' . 25890 1 224 . 1 1 30 30 DC H2'' H 1 2.346 0.02 . 2 . . . . 30 DC H2'' . 25890 1 225 . 1 1 30 30 DC H3' H 1 4.840 0.02 . 1 . . . . 30 DC H3' . 25890 1 226 . 1 1 30 30 DC H5 H 1 5.670 0.02 . 1 . . . . 30 DC H5 . 25890 1 227 . 1 1 30 30 DC H6 H 1 7.515 0.02 . 1 . . . . 30 DC H6 . 25890 1 228 . 1 1 30 30 DC H41 H 1 8.550 0.02 . 1 . . . . 30 DC H41 . 25890 1 229 . 1 1 31 31 DA H1' H 1 6.056 0.02 . 1 . . . . 31 DA H1' . 25890 1 230 . 1 1 31 31 DA H2 H 1 7.703 0.02 . 1 . . . . 31 DA H2 . 25890 1 231 . 1 1 31 31 DA H2' H 1 2.727 0.02 . 2 . . . . 31 DA H2' . 25890 1 232 . 1 1 31 31 DA H2'' H 1 2.847 0.02 . 2 . . . . 31 DA H2'' . 25890 1 233 . 1 1 31 31 DA H3' H 1 5.050 0.02 . 1 . . . . 31 DA H3' . 25890 1 234 . 1 1 31 31 DA H8 H 1 8.182 0.02 . 1 . . . . 31 DA H8 . 25890 1 235 . 1 1 32 32 DG H1 H 1 12.880 0.02 . 1 . . . . 32 DG H1 . 25890 1 236 . 1 1 32 32 DG H1' H 1 5.655 0.02 . 1 . . . . 32 DG H1' . 25890 1 237 . 1 1 32 32 DG H2' H 1 2.405 0.02 . 2 . . . . 32 DG H2' . 25890 1 238 . 1 1 32 32 DG H2'' H 1 2.616 0.02 . 2 . . . . 32 DG H2'' . 25890 1 239 . 1 1 32 32 DG H3' H 1 4.903 0.02 . 1 . . . . 32 DG H3' . 25890 1 240 . 1 1 32 32 DG H8 H 1 7.601 0.02 . 1 . . . . 32 DG H8 . 25890 1 241 . 1 1 32 32 DG H21 H 1 6.515 0.02 . 1 . . . . 32 DG H21 . 25890 1 242 . 1 1 33 33 DC H1' H 1 6.122 0.02 . 1 . . . . 33 DC H1' . 25890 1 243 . 1 1 33 33 DC H2' H 1 1.982 0.02 . 2 . . . . 33 DC H2' . 25890 1 244 . 1 1 33 33 DC H2'' H 1 2.255 0.02 . 2 . . . . 33 DC H2'' . 25890 1 245 . 1 1 33 33 DC H3' H 1 4.758 0.02 . 1 . . . . 33 DC H3' . 25890 1 246 . 1 1 33 33 DC H4' H 1 4.378 0.02 . 1 . . . . 33 DC H4' . 25890 1 247 . 1 1 33 33 DC H5 H 1 5.354 0.02 . 1 . . . . 33 DC H5 . 25890 1 248 . 1 1 33 33 DC H6 H 1 7.433 0.02 . 1 . . . . 33 DC H6 . 25890 1 249 . 1 1 33 33 DC H41 H 1 8.193 0.02 . 1 . . . . 33 DC H41 . 25890 1 250 . 1 1 34 34 DT H1' H 1 6.384 0.02 . 1 . . . . 34 DT H1' . 25890 1 251 . 1 1 34 34 DT H2' H 1 1.939 0.02 . 2 . . . . 34 DT H2' . 25890 1 252 . 1 1 34 34 DT H2'' H 1 2.262 0.02 . 2 . . . . 34 DT H2'' . 25890 1 253 . 1 1 34 34 DT H3' H 1 4.804 0.02 . 1 . . . . 34 DT H3' . 25890 1 254 . 1 1 34 34 DT H4' H 1 4.374 0.02 . 1 . . . . 34 DT H4' . 25890 1 255 . 1 1 34 34 DT H6 H 1 7.887 0.02 . 1 . . . . 34 DT H6 . 25890 1 256 . 1 1 34 34 DT H71 H 1 2.015 0.02 . 1 . . . . 34 DT H71 . 25890 1 257 . 1 1 34 34 DT H72 H 1 2.015 0.02 . 1 . . . . 34 DT H72 . 25890 1 258 . 1 1 34 34 DT H73 H 1 2.015 0.02 . 1 . . . . 34 DT H73 . 25890 1 259 . 1 1 35 35 DT H1' H 1 5.424 0.02 . 1 . . . . 35 DT H1' . 25890 1 260 . 1 1 35 35 DT H2' H 1 1.774 0.02 . 2 . . . . 35 DT H2' . 25890 1 261 . 1 1 35 35 DT H2'' H 1 2.067 0.02 . 2 . . . . 35 DT H2'' . 25890 1 262 . 1 1 35 35 DT H3' H 1 4.604 0.02 . 1 . . . . 35 DT H3' . 25890 1 263 . 1 1 35 35 DT H5' H 1 3.815 0.02 . 1 . . . . 35 DT H5' . 25890 1 264 . 1 1 35 35 DT H5'' H 1 3.934 0.02 . 1 . . . . 35 DT H5'' . 25890 1 265 . 1 1 35 35 DT H6 H 1 7.563 0.02 . 1 . . . . 35 DT H6 . 25890 1 266 . 1 1 35 35 DT H71 H 1 1.328 0.02 . 1 . . . . 35 DT H71 . 25890 1 267 . 1 1 35 35 DT H72 H 1 1.328 0.02 . 1 . . . . 35 DT H72 . 25890 1 268 . 1 1 35 35 DT H73 H 1 1.328 0.02 . 1 . . . . 35 DT H73 . 25890 1 269 . 1 1 36 36 DG H1' H 1 6.154 0.02 . 1 . . . . 36 DG H1' . 25890 1 270 . 1 1 36 36 DG H2' H 1 2.759 0.02 . 2 . . . . 36 DG H2' . 25890 1 271 . 1 1 36 36 DG H2'' H 1 3.007 0.02 . 2 . . . . 36 DG H2'' . 25890 1 272 . 1 1 36 36 DG H3' H 1 4.833 0.02 . 1 . . . . 36 DG H3' . 25890 1 273 . 1 1 36 36 DG H8 H 1 7.943 0.02 . 1 . . . . 36 DG H8 . 25890 1 274 . 1 1 36 36 DG H21 H 1 6.498 0.02 . 1 . . . . 36 DG H21 . 25890 1 275 . 1 1 37 37 DC H1' H 1 6.250 0.02 . 1 . . . . 37 DC H1' . 25890 1 276 . 1 1 37 37 DC H2' H 1 2.032 0.02 . 2 . . . . 37 DC H2' . 25890 1 277 . 1 1 37 37 DC H2'' H 1 2.686 0.02 . 2 . . . . 37 DC H2'' . 25890 1 278 . 1 1 37 37 DC H3' H 1 4.751 0.02 . 1 . . . . 37 DC H3' . 25890 1 279 . 1 1 37 37 DC H4' H 1 4.335 0.02 . 1 . . . . 37 DC H4' . 25890 1 280 . 1 1 37 37 DC H5 H 1 5.374 0.02 . 1 . . . . 37 DC H5 . 25890 1 281 . 1 1 37 37 DC H6 H 1 7.495 0.02 . 1 . . . . 37 DC H6 . 25890 1 282 . 1 1 37 37 DC H41 H 1 8.284 0.02 . 1 . . . . 37 DC H41 . 25890 1 283 . 1 1 38 38 DT H1' H 1 5.964 0.02 . 1 . . . . 38 DT H1' . 25890 1 284 . 1 1 38 38 DT H2' H 1 1.990 0.02 . 2 . . . . 38 DT H2' . 25890 1 285 . 1 1 38 38 DT H2'' H 1 2.407 0.02 . 2 . . . . 38 DT H2'' . 25890 1 286 . 1 1 38 38 DT H3 H 1 13.994 0.02 . 1 . . . . 38 DT H3 . 25890 1 287 . 1 1 38 38 DT H3' H 1 4.914 0.02 . 1 . . . . 38 DT H3' . 25890 1 288 . 1 1 38 38 DT H6 H 1 7.309 0.02 . 1 . . . . 38 DT H6 . 25890 1 289 . 1 1 38 38 DT H71 H 1 1.645 0.02 . 1 . . . . 38 DT H71 . 25890 1 290 . 1 1 38 38 DT H72 H 1 1.645 0.02 . 1 . . . . 38 DT H72 . 25890 1 291 . 1 1 38 38 DT H73 H 1 1.645 0.02 . 1 . . . . 38 DT H73 . 25890 1 292 . 1 1 39 39 DG H1 H 1 12.654 0.02 . 1 . . . . 39 DG H1 . 25890 1 293 . 1 1 39 39 DG H1' H 1 5.535 0.02 . 1 . . . . 39 DG H1' . 25890 1 294 . 1 1 39 39 DG H2' H 1 2.736 0.02 . 2 . . . . 39 DG H2' . 25890 1 295 . 1 1 39 39 DG H2'' H 1 2.794 0.02 . 2 . . . . 39 DG H2'' . 25890 1 296 . 1 1 39 39 DG H3' H 1 5.032 0.02 . 1 . . . . 39 DG H3' . 25890 1 297 . 1 1 39 39 DG H4' H 1 4.380 0.02 . 1 . . . . 39 DG H4' . 25890 1 298 . 1 1 39 39 DG H8 H 1 7.944 0.02 . 1 . . . . 39 DG H8 . 25890 1 299 . 1 1 39 39 DG H21 H 1 6.755 0.02 . 1 . . . . 39 DG H21 . 25890 1 300 . 1 1 40 40 DA H1' H 1 6.238 0.02 . 1 . . . . 40 DA H1' . 25890 1 301 . 1 1 40 40 DA H2 H 1 7.803 0.02 . 1 . . . . 40 DA H2 . 25890 1 302 . 1 1 40 40 DA H2' H 1 2.675 0.02 . 2 . . . . 40 DA H2' . 25890 1 303 . 1 1 40 40 DA H2'' H 1 2.911 0.02 . 2 . . . . 40 DA H2'' . 25890 1 304 . 1 1 40 40 DA H3' H 1 5.032 0.02 . 1 . . . . 40 DA H3' . 25890 1 305 . 1 1 40 40 DA H4' H 1 4.481 0.02 . 1 . . . . 40 DA H4' . 25890 1 306 . 1 1 40 40 DA H8 H 1 8.187 0.02 . 1 . . . . 40 DA H8 . 25890 1 307 . 1 1 41 41 DC H1' H 1 5.796 0.02 . 1 . . . . 41 DC H1' . 25890 1 308 . 1 1 41 41 DC H2' H 1 1.961 0.02 . 2 . . . . 41 DC H2' . 25890 1 309 . 1 1 41 41 DC H2'' H 1 2.408 0.02 . 2 . . . . 41 DC H2'' . 25890 1 310 . 1 1 41 41 DC H3' H 1 4.761 0.02 . 1 . . . . 41 DC H3' . 25890 1 311 . 1 1 41 41 DC H5 H 1 5.215 0.02 . 1 . . . . 41 DC H5 . 25890 1 312 . 1 1 41 41 DC H6 H 1 7.216 0.02 . 1 . . . . 41 DC H6 . 25890 1 313 . 1 1 41 41 DC H41 H 1 8.031 0.02 . 1 . . . . 41 DC H41 . 25890 1 314 . 1 1 42 42 DC H1' H 1 5.605 0.02 . 1 . . . . 42 DC H1' . 25890 1 315 . 1 1 42 42 DC H2' H 1 1.963 0.02 . 2 . . . . 42 DC H2' . 25890 1 316 . 1 1 42 42 DC H2'' H 1 2.353 0.02 . 2 . . . . 42 DC H2'' . 25890 1 317 . 1 1 42 42 DC H3' H 1 4.822 0.02 . 1 . . . . 42 DC H3' . 25890 1 318 . 1 1 42 42 DC H5 H 1 5.449 0.02 . 1 . . . . 42 DC H5 . 25890 1 319 . 1 1 42 42 DC H6 H 1 7.360 0.02 . 1 . . . . 42 DC H6 . 25890 1 320 . 1 1 42 42 DC H41 H 1 8.432 0.02 . 1 . . . . 42 DC H41 . 25890 1 321 . 1 1 43 43 DG H1 H 1 12.985 0.02 . 1 . . . . 43 DG H1 . 25890 1 322 . 1 1 43 43 DG H1' H 1 5.885 0.02 . 1 . . . . 43 DG H1' . 25890 1 323 . 1 1 43 43 DG H2' H 1 2.631 0.02 . 2 . . . . 43 DG H2' . 25890 1 324 . 1 1 43 43 DG H2'' H 1 2.713 0.02 . 2 . . . . 43 DG H2'' . 25890 1 325 . 1 1 43 43 DG H3' H 1 4.981 0.02 . 1 . . . . 43 DG H3' . 25890 1 326 . 1 1 43 43 DG H8 H 1 7.892 0.02 . 1 . . . . 43 DG H8 . 25890 1 327 . 1 1 43 43 DG H21 H 1 6.450 0.02 . 1 . . . . 43 DG H21 . 25890 1 328 . 1 1 44 44 DC H1' H 1 5.801 0.02 . 1 . . . . 44 DC H1' . 25890 1 329 . 1 1 44 44 DC H2' H 1 1.772 0.02 . 2 . . . . 44 DC H2' . 25890 1 330 . 1 1 44 44 DC H2'' H 1 2.284 0.02 . 2 . . . . 44 DC H2'' . 25890 1 331 . 1 1 44 44 DC H3' H 1 4.803 0.02 . 1 . . . . 44 DC H3' . 25890 1 332 . 1 1 44 44 DC H5 H 1 5.440 0.02 . 1 . . . . 44 DC H5 . 25890 1 333 . 1 1 44 44 DC H6 H 1 7.286 0.02 . 1 . . . . 44 DC H6 . 25890 1 334 . 1 1 44 44 DC H41 H 1 8.422 0.02 . 1 . . . . 44 DC H41 . 25890 1 335 . 1 1 45 45 DG H1' H 1 6.134 0.02 . 1 . . . . 45 DG H1' . 25890 1 336 . 1 1 45 45 DG H2' H 1 2.401 0.02 . 2 . . . . 45 DG H2' . 25890 1 337 . 1 1 45 45 DG H2'' H 1 2.635 0.02 . 2 . . . . 45 DG H2'' . 25890 1 338 . 1 1 45 45 DG H3' H 1 4.681 0.02 . 1 . . . . 45 DG H3' . 25890 1 339 . 1 1 45 45 DG H4' H 1 4.172 0.02 . 1 . . . . 45 DG H4' . 25890 1 340 . 1 1 45 45 DG H8 H 1 7.917 0.02 . 1 . . . . 45 DG H8 . 25890 1 stop_ save_