data_15527 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15527 _Entry.Title ; 1H, 13C, and 31P Chemical Shift Assignments for 14-mer Base Pair Non-self Complementary DNA Duplex ( Mbp1_14) which Contains the Consensus Binding Site of the Yeast Transcription Factor Mbp-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-15 _Entry.Accession_date 2007-10-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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.Entry_ID 1 Anna Chernatynskaya . V. . 15527 2 Andrew Lane . N. . 15527 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Louisville' . 15527 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15527 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 116 15527 '1H chemical shifts' 227 15527 '31P chemical shifts' 25 15527 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 . . 2010-07-15 2007-10-15 update author 'update DNA residue label to two-letter code' 15527 2 . . 2009-06-30 2007-10-15 update author 'update entry citation' 15527 1 . . 2009-06-10 2007-10-15 original author 'original release' 15527 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15527 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural analysis of the DNA target site and its interaction with Mbp1' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Org. Biomol. Chem.' _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.Entry_ID _Citation_author.Citation_ID 1 Lynn Deleeuw . . . 15527 1 2 Anna Chernatynskaya . V. . 15527 1 3 Andrew Lane . N. . 15527 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15527 _Assembly.ID 1 _Assembly.Name Mbp1_14 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 Starnd1' 1 $DNA_Strand1 A . yes native no no . . . 15527 1 2 'DNA Strand2' 2 $DNA_Strand2 A . yes native no no . . . 15527 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_Strand1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_Strand1 _Entity.Entry_ID 15527 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_Strand1 _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 CTTACGCGTCATTG _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . DC . 15527 1 2 . DT . 15527 1 3 . DT . 15527 1 4 . DA . 15527 1 5 . DC . 15527 1 6 . DG . 15527 1 7 . DC . 15527 1 8 . DG . 15527 1 9 . DT . 15527 1 10 . DC . 15527 1 11 . DA . 15527 1 12 . DT . 15527 1 13 . DT . 15527 1 14 . DG . 15527 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 . DC 1 1 15527 1 . DT 2 2 15527 1 . DT 3 3 15527 1 . DA 4 4 15527 1 . DC 5 5 15527 1 . DG 6 6 15527 1 . DC 7 7 15527 1 . DG 8 8 15527 1 . DT 9 9 15527 1 . DC 10 10 15527 1 . DA 11 11 15527 1 . DT 12 12 15527 1 . DT 13 13 15527 1 . DG 14 14 15527 1 stop_ save_ save_DNA_Strand2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_Strand2 _Entity.Entry_ID 15527 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_Strand2 _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 CAATGACGCGTAAG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Starnd2: 15C 16A 17A 18T 19G 20A 21C 22G 23C 24G 25T 26A 27A 28G ; _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 15 DC . 15527 2 2 16 DA . 15527 2 3 17 DA . 15527 2 4 18 DT . 15527 2 5 19 DG . 15527 2 6 20 DA . 15527 2 7 21 DC . 15527 2 8 22 DG . 15527 2 9 23 DC . 15527 2 10 24 DG . 15527 2 11 25 DT . 15527 2 12 26 DA . 15527 2 13 27 DA . 15527 2 14 28 DG . 15527 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 . DC 1 1 15527 2 . DA 2 2 15527 2 . DA 3 3 15527 2 . DT 4 4 15527 2 . DG 5 5 15527 2 . DA 6 6 15527 2 . DC 7 7 15527 2 . DG 8 8 15527 2 . DC 9 9 15527 2 . DG 10 10 15527 2 . DT 11 11 15527 2 . DA 12 12 15527 2 . DA 13 13 15527 2 . DG 14 14 15527 2 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 15527 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DNA_Strand1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15527 1 2 2 $DNA_Strand2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15527 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 15527 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DNA_Strand1 . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . 'Integrated DNA Technologies, Inc.' . . . . . . 15527 1 2 2 $DNA_Strand2 . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15527 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15527 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample_1 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site' _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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15527 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15527 1 3 Mbp1_14 'natural abundance' 1 $assembly . . . . 1.2 . . mM . . . . 15527 1 4 H2O . . . . . . . 100 . . % . . . . 15527 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15527 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample_2 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site' _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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15527 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15527 2 3 Mbp1_14 'natural abundance' 1 $assembly . . . . 1.2 . . mM . . . . 15527 2 4 H2O . . . . . . . 90 . . % . . . . 15527 2 5 D2O . . . . . . . 10 . . % . . . . 15527 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15527 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample_3 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site. 13C enriched nucleotides in DNA Strand1.' _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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15527 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15527 3 3 Mbp1_14 [U-13C] . . 1 $DNA_Strand1 . . 0.4 . . mM . . . . 15527 3 4 Mbp1_14 'natural abundance' . . 2 $DNA_Strand2 . . 0.4 . . mM . . . . 15527 3 5 H2O . . . . . . . 100 . . % . . . . 15527 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15527 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample_4 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site. 13C enriched nucleotides in DNA Strand1.' _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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15527 4 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15527 4 3 Mbp1_14 [U-13C] . . 1 $DNA_Strand1 . . 0.4 . . mM . . . . 15527 4 4 Mbp1_14 'natural abundance' . . 2 $DNA_Strand2 . . 0.4 . . mM . . . . 15527 4 5 H2O . . . . . . . 90 . . % . . . . 15527 4 6 D2O . . . . . . . 10 . . % . . . . 15527 4 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 15527 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 15527 1 temperature 303 . K 15527 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 15527 _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 pH 7 . pH 15527 2 temperature 293 . K 15527 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15527 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15527 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15527 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15527 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15527 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15527 _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 spectrometer_1 Varian INOVA . 600 . . . 15527 1 2 spectrometer_2 Varian INOVA . 800 . . . 15527 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 15527 _Experiment_list.ID 1 _Experiment_list.Details 'WGNOESY is Water Gate NOESY.' 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 WGNOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15527 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 7 '2D 1H-31P HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 8 '2D 1H-13C NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15527 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 15527 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15527 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15527 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 15527 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15527 _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 2 '2D 1H-1H NOESY' . . . 15527 1 3 '2D DQF-COSY' . . . 15527 1 4 '2D 1H-13C HSQC' . . . 15527 1 5 '2D 1H-13C HSQC' . . . 15527 1 6 '2D 1H-1H TOCSY' . . . 15527 1 7 '2D 1H-31P HSQC' . . . 15527 1 8 '2D 1H-13C NOESY-HSQC' . . . 15527 1 9 '2D 1H-13C HSQC' . . . 15527 1 10 '2D 1H-13C HSQC' . . . 15527 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 DC H1' H 1 5.95 . . 1 . . . . 1 C H1' . 15527 1 2 . 1 1 1 1 DC H2' H 1 2.28 . . 1 . . . . 1 C H2' . 15527 1 3 . 1 1 1 1 DC H2'' H 1 2.65 . . 1 . . . . 1 C H2'' . 15527 1 4 . 1 1 1 1 DC H3' H 1 4.70 . . 1 . . . . 1 C H3' . 15527 1 5 . 1 1 1 1 DC H4' H 1 4.15 . . 1 . . . . 1 C H4' . 15527 1 6 . 1 1 1 1 DC H5 H 1 6.00 . . 1 . . . . 1 C H5 . 15527 1 7 . 1 1 1 1 DC H6 H 1 7.92 . . 1 . . . . 1 C H6 . 15527 1 8 . 1 1 1 1 DC C1' C 13 88.44 . . 1 . . . . 1 C C1' . 15527 1 9 . 1 1 1 1 DC C2' C 13 41.04 . . 1 . . . . 1 C C2' . 15527 1 10 . 1 1 1 1 DC C3' C 13 76.54 . . 1 . . . . 1 C C3' . 15527 1 11 . 1 1 1 1 DC C4' C 13 88.39 . . 1 . . . . 1 C C4' . 15527 1 12 . 1 1 1 1 DC C5 C 13 99.28 . . 1 . . . . 1 C C5 . 15527 1 13 . 1 1 1 1 DC C6 C 13 143.32 . . 1 . . . . 1 C C6 . 15527 1 14 . 1 1 1 1 DC P P 31 0.3 . . 1 . . . . 1 C P . 15527 1 15 . 1 1 2 2 DT H1' H 1 6.18 . . 1 . . . . 2 T H1' . 15527 1 16 . 1 1 2 2 DT H2' H 1 2.25 . . 1 . . . . 2 T H2' . 15527 1 17 . 1 1 2 2 DT H2'' H 1 2.64 . . 1 . . . . 2 T H2'' . 15527 1 18 . 1 1 2 2 DT H3 H 1 14.12 . . 1 . . . . 2 T H3 . 15527 1 19 . 1 1 2 2 DT H3' H 1 4.91 . . 1 . . . . 2 T H3' . 15527 1 20 . 1 1 2 2 DT H4' H 1 4.26 . . 1 . . . . 2 T H4' . 15527 1 21 . 1 1 2 2 DT H6 H 1 7.68 . . 1 . . . . 2 T H6 . 15527 1 22 . 1 1 2 2 DT H71 H 1 1.73 . . 2 . . . . 2 T H7 . 15527 1 23 . 1 1 2 2 DT H72 H 1 1.73 . . 2 . . . . 2 T H7 . 15527 1 24 . 1 1 2 2 DT H73 H 1 1.73 . . 2 . . . . 2 T H7 . 15527 1 25 . 1 1 2 2 DT C1' C 13 84.84 0.15 . 1 . . . . 2 T C1' . 15527 1 26 . 1 1 2 2 DT C2' C 13 39.39 . . 1 . . . . 2 T C2' . 15527 1 27 . 1 1 2 2 DT C3' C 13 79.44 . . 1 . . . . 2 T C3' . 15527 1 28 . 1 1 2 2 DT C4' C 13 86.74 . . 1 . . . . 2 T C4' . 15527 1 29 . 1 1 2 2 DT C5 C 13 14.50 . . 1 . . . . 2 T C5 . 15527 1 30 . 1 1 2 2 DT C6 C 13 139.71 . . 1 . . . . 2 T C6 . 15527 1 31 . 1 1 2 2 DT P P 31 0.09 0.02 . 1 . . . . 2 T P . 15527 1 32 . 1 1 3 3 DT H1' H 1 5.78 . . 1 . . . . 3 T H1' . 15527 1 33 . 1 1 3 3 DT H2' H 1 2.16 . . 1 . . . . 3 T H2' . 15527 1 34 . 1 1 3 3 DT H2'' H 1 2.50 . . 1 . . . . 3 T H2'' . 15527 1 35 . 1 1 3 3 DT H3 H 1 13.64 . . 1 . . . . 3 T H3 . 15527 1 36 . 1 1 3 3 DT H3' H 1 4.92 . . 1 . . . . 3 T H3' . 15527 1 37 . 1 1 3 3 DT H4' H 1 4.17 . . 1 . . . . 3 T H4' . 15527 1 38 . 1 1 3 3 DT H6 H 1 7.48 . . 1 . . . . 3 T H6 . 15527 1 39 . 1 1 3 3 DT H71 H 1 1.75 . . 2 . . . . 3 T H7 . 15527 1 40 . 1 1 3 3 DT H72 H 1 1.75 . . 2 . . . . 3 T H7 . 15527 1 41 . 1 1 3 3 DT H73 H 1 1.75 . . 2 . . . . 3 T H7 . 15527 1 42 . 1 1 3 3 DT C1' C 13 85.39 . . 1 . . . . 3 T C1' . 15527 1 43 . 1 1 3 3 DT C2' C 13 39.24 0.15 . 1 . . . . 3 T C2' . 15527 1 44 . 1 1 3 3 DT C3' C 13 77.74 . . 1 . . . . 3 T C3' . 15527 1 45 . 1 1 3 3 DT C5 C 13 14.55 . . 1 . . . . 3 T C5 . 15527 1 46 . 1 1 3 3 DT C6 C 13 139.82 . . 1 . . . . 3 T C6 . 15527 1 47 . 1 1 3 3 DT P P 31 0.34 . . 1 . . . . 3 T P . 15527 1 48 . 1 1 4 4 DA H1' H 1 6.19 . . 1 . . . . 4 A H1' . 15527 1 49 . 1 1 4 4 DA H2 H 1 7.53 . . 1 . . . . 4 A H2 . 15527 1 50 . 1 1 4 4 DA H2' H 1 2.73 . . 1 . . . . 4 A H2' . 15527 1 51 . 1 1 4 4 DA H2'' H 1 2.87 . . 1 . . . . 4 A H2'' . 15527 1 52 . 1 1 4 4 DA H3' H 1 5.07 . . 1 . . . . 4 A H3' . 15527 1 53 . 1 1 4 4 DA H4' H 1 4.44 . . 1 . . . . 4 A H4' . 15527 1 54 . 1 1 4 4 DA H8 H 1 8.35 . . 1 . . . . 4 A H8 . 15527 1 55 . 1 1 4 4 DA C1' C 13 84.84 0.15 . 1 . . . . 4 A C1' . 15527 1 56 . 1 1 4 4 DA C2 C 13 154.83 . . 1 . . . . 4 A C2 . 15527 1 57 . 1 1 4 4 DA C2' C 13 40.64 . . 1 . . . . 4 A C2' . 15527 1 58 . 1 1 4 4 DA C3' C 13 79.54 . . 1 . . . . 4 A C3' . 15527 1 59 . 1 1 4 4 DA C4' C 13 87.54 . . 1 . . . . 4 A C4' . 15527 1 60 . 1 1 4 4 DA C8 C 13 141.93 . . 1 . . . . 4 A C8 . 15527 1 61 . 1 1 5 5 DC H1' H 1 5.55 . . 1 . . . . 5 C H1' . 15527 1 62 . 1 1 5 5 DC H2' H 1 1.93 . . 1 . . . . 5 C H2' . 15527 1 63 . 1 1 5 5 DC H2'' H 1 2.32 . . 1 . . . . 5 C H2'' . 15527 1 64 . 1 1 5 5 DC H3' H 1 4.79 . . 1 . . . . 5 C H3' . 15527 1 65 . 1 1 5 5 DC H4' H 1 4.16 . . 1 . . . . 5 C H4' . 15527 1 66 . 1 1 5 5 DC H5 H 1 5.24 . . 1 . . . . 5 C H5 . 15527 1 67 . 1 1 5 5 DC H6 H 1 7.27 . . 1 . . . . 5 C H6 . 15527 1 68 . 1 1 5 5 DC H41 H 1 7.93 . . 1 . . . . 5 C H41 . 15527 1 69 . 1 1 5 5 DC H42 H 1 6.35 . . 1 . . . . 5 C H42 . 15527 1 70 . 1 1 5 5 DC C1' C 13 86.34 . . 1 . . . . 5 C C1' . 15527 1 71 . 1 1 5 5 DC C2' C 13 39.94 . . 1 . . . . 5 C C2' . 15527 1 72 . 1 1 5 5 DC C3' C 13 76.54 . . 1 . . . . 5 C C3' . 15527 1 73 . 1 1 5 5 DC C5 C 13 98.64 . . 1 . . . . 5 C C5 . 15527 1 74 . 1 1 5 5 DC C6 C 13 142.17 . . 1 . . . . 5 C C6 . 15527 1 75 . 1 1 5 5 DC P P 31 0.42 0.02 . 1 . . . . 5 C P . 15527 1 76 . 1 1 6 6 DG H1 H 1 12.80 . . 1 . . . . 6 G H1 . 15527 1 77 . 1 1 6 6 DG H1' H 1 5.86 . . 1 . . . . 6 G H1' . 15527 1 78 . 1 1 6 6 DG H2' H 1 2.60 . . 1 . . . . 6 G H2' . 15527 1 79 . 1 1 6 6 DG H2'' H 1 2.72 . . 1 . . . . 6 G H2'' . 15527 1 80 . 1 1 6 6 DG H3' H 1 4.96 . . 1 . . . . 6 G H3' . 15527 1 81 . 1 1 6 6 DG H4' H 1 4.34 . . 1 . . . . 6 G H4' . 15527 1 82 . 1 1 6 6 DG H8 H 1 7.84 . . 1 . . . . 6 G H8 . 15527 1 83 . 1 1 6 6 DG C1' C 13 84.74 . . 1 . . . . 6 G C1' . 15527 1 84 . 1 1 6 6 DG C2' C 13 40.74 0.15 . 1 . . . . 6 G C2' . 15527 1 85 . 1 1 6 6 DG C3' C 13 80.04 . . 1 . . . . 6 G C3' . 15527 1 86 . 1 1 6 6 DG C4' C 13 87.44 . . 1 . . . . 6 G C4' . 15527 1 87 . 1 1 6 6 DG C8 C 13 138.45 . . 1 . . . . 6 G C8 . 15527 1 88 . 1 1 6 6 DG P P 31 0.26 0.02 . 1 . . . . 6 G P . 15527 1 89 . 1 1 7 7 DC H1' H 1 5.67 . . 1 . . . . 7 C H1' . 15527 1 90 . 1 1 7 7 DC H2' H 1 2.02 . . 1 . . . . 7 C H2' . 15527 1 91 . 1 1 7 7 DC H2'' H 1 2.40 . . 1 . . . . 7 C H2'' . 15527 1 92 . 1 1 7 7 DC H3' H 1 4.82 . . 1 . . . . 7 C H3' . 15527 1 93 . 1 1 7 7 DC H4' H 1 4.16 . . 1 . . . . 7 C H4' . 15527 1 94 . 1 1 7 7 DC H5 H 1 5.31 . . 1 . . . . 7 C H5 . 15527 1 95 . 1 1 7 7 DC H6 H 1 7.28 . . 1 . . . . 7 C H6 . 15527 1 96 . 1 1 7 7 DC H41 H 1 8.04 . . 1 . . . . 7 C H41 . 15527 1 97 . 1 1 7 7 DC H42 H 1 6.16 . . 1 . . . . 7 C H42 . 15527 1 98 . 1 1 7 7 DC C1' C 13 86.54 . . 1 . . . . 7 C C1' . 15527 1 99 . 1 1 7 7 DC C2' C 13 40.09 . . 1 . . . . 7 C C2' . 15527 1 100 . 1 1 7 7 DC C3' C 13 77.09 . . 1 . . . . 7 C C3' . 15527 1 101 . 1 1 7 7 DC C5 C 13 98.44 . . 1 . . . . 7 C C5 . 15527 1 102 . 1 1 7 7 DC C6 C 13 142.19 . . 1 . . . . 7 C C6 . 15527 1 103 . 1 1 7 7 DC P P 31 0.31 0.02 . 1 . . . . 7 C P . 15527 1 104 . 1 1 8 8 DG H1 H 1 12.77 . . 1 . . . . 8 G H1 . 15527 1 105 . 1 1 8 8 DG H1' H 1 5.92 . . 1 . . . . 8 G H1' . 15527 1 106 . 1 1 8 8 DG H2' H 1 2.62 . . 1 . . . . 8 G H2' . 15527 1 107 . 1 1 8 8 DG H2'' H 1 2.79 . . 1 . . . . 8 G H2'' . 15527 1 108 . 1 1 8 8 DG H3' H 1 4.92 . . 1 . . . . 8 G H3' . 15527 1 109 . 1 1 8 8 DG H4' H 1 4.34 . . 1 . . . . 8 G H4' . 15527 1 110 . 1 1 8 8 DG H8 H 1 7.89 . . 1 . . . . 8 G H8 . 15527 1 111 . 1 1 8 8 DG C1' C 13 85.14 0.15 . 1 . . . . 8 G C1' . 15527 1 112 . 1 1 8 8 DG C2' C 13 40.89 . . 1 . . . . 8 G C2' . 15527 1 113 . 1 1 8 8 DG C3' C 13 79.44 . . 1 . . . . 8 G C3' . 15527 1 114 . 1 1 8 8 DG C4' C 13 87.39 . . 1 . . . . 8 G C4' . 15527 1 115 . 1 1 8 8 DG C8 C 13 138.12 . . 1 . . . . 8 G C8 . 15527 1 116 . 1 1 8 8 DG P P 31 0.09 0.02 . 1 . . . . 8 G P . 15527 1 117 . 1 1 9 9 DT H1' H 1 5.98 . . 1 . . . . 9 T H1' . 15527 1 118 . 1 1 9 9 DT H2' H 1 2.10 . . 1 . . . . 9 T H2' . 15527 1 119 . 1 1 9 9 DT H2'' H 1 2.49 . . 1 . . . . 9 T H2'' . 15527 1 120 . 1 1 9 9 DT H3 H 1 13.67 . . 1 . . . . 9 T H3 . 15527 1 121 . 1 1 9 9 DT H3' H 1 4.86 . . 1 . . . . 9 T H3' . 15527 1 122 . 1 1 9 9 DT H4' H 1 4.19 . . 1 . . . . 9 T H4' . 15527 1 123 . 1 1 9 9 DT H6 H 1 7.25 . . 1 . . . . 9 T H6 . 15527 1 124 . 1 1 9 9 DT H71 H 1 1.37 . . 2 . . . . 9 T H7 . 15527 1 125 . 1 1 9 9 DT H72 H 1 1.37 . . 2 . . . . 9 T H7 . 15527 1 126 . 1 1 9 9 DT H73 H 1 1.37 . . 2 . . . . 9 T H7 . 15527 1 127 . 1 1 9 9 DT C1' C 13 85.64 . . 1 . . . . 9 T C1' . 15527 1 128 . 1 1 9 9 DT C2' C 13 39.64 0.15 . 1 . . . . 9 T C2' . 15527 1 129 . 1 1 9 9 DT C3' C 13 78.04 0.15 . 1 . . . . 9 T C3' . 15527 1 130 . 1 1 9 9 DT C4' C 13 85.79 0.15 . 1 . . . . 9 T C4' . 15527 1 131 . 1 1 9 9 DT C5 C 13 14.45 . . 1 . . . . 9 T C5 . 15527 1 132 . 1 1 9 9 DT C6 C 13 138.17 . . 1 . . . . 9 T C6 . 15527 1 133 . 1 1 9 9 DT P P 31 0.39 0.02 . 1 . . . . 9 T P . 15527 1 134 . 1 1 10 10 DC H1' H 1 5.58 . . 1 . . . . 10 C H1' . 15527 1 135 . 1 1 10 10 DC H2' H 1 2.14 . . 1 . . . . 10 C H2' . 15527 1 136 . 1 1 10 10 DC H2'' H 1 2.46 . . 1 . . . . 10 C H2'' . 15527 1 137 . 1 1 10 10 DC H3' H 1 4.85 . . 1 . . . . 10 C H3' . 15527 1 138 . 1 1 10 10 DC H4' H 1 4.14 . . 1 . . . . 10 C H4' . 15527 1 139 . 1 1 10 10 DC H5 H 1 5.68 . . 1 . . . . 10 C H5 . 15527 1 140 . 1 1 10 10 DC H6 H 1 7.58 . . 1 . . . . 10 C H6 . 15527 1 141 . 1 1 10 10 DC H41 H 1 8.21 . . 1 . . . . 10 C H41 . 15527 1 142 . 1 1 10 10 DC H42 H 1 6.62 . . 1 . . . . 10 C H42 . 15527 1 143 . 1 1 10 10 DC C1' C 13 86.54 0.15 . 1 . . . . 10 C C1' . 15527 1 144 . 1 1 10 10 DC C2' C 13 39.77 . . 1 . . . . 10 C C2' . 15527 1 145 . 1 1 10 10 DC C3' C 13 77.44 0.15 . 1 . . . . 10 C C3' . 15527 1 146 . 1 1 10 10 DC C5 C 13 98.76 . . 1 . . . . 10 C C5 . 15527 1 147 . 1 1 10 10 DC C6 C 13 143.78 . . 1 . . . . 10 C C6 . 15527 1 148 . 1 1 10 10 DC P P 31 0.55 . . 1 . . . . 10 C P . 15527 1 149 . 1 1 11 11 DA H1' H 1 6.27 . . 1 . . . . 11 A H1' . 15527 1 150 . 1 1 11 11 DA H2 H 1 7.64 . . 1 . . . . 11 A H2 . 15527 1 151 . 1 1 11 11 DA H2' H 1 2.74 . . 1 . . . . 11 A H2' . 15527 1 152 . 1 1 11 11 DA H2'' H 1 2.96 . . 1 . . . . 11 A H2'' . 15527 1 153 . 1 1 11 11 DA H3' H 1 5.03 . . 1 . . . . 11 A H3' . 15527 1 154 . 1 1 11 11 DA H4' H 1 4.44 . . 1 . . . . 11 A H4' . 15527 1 155 . 1 1 11 11 DA H8 H 1 8.37 . . 1 . . . . 11 A H8 . 15527 1 156 . 1 1 11 11 DA C1' C 13 85.39 . . 1 . . . . 11 A C1' . 15527 1 157 . 1 1 11 11 DA C2 C 13 154.64 . . 1 . . . . 11 A C2 . 15527 1 158 . 1 1 11 11 DA C2' C 13 41.04 . . 1 . . . . 11 A C2' . 15527 1 159 . 1 1 11 11 DA C3' C 13 79.94 . . 1 . . . . 11 A C3' . 15527 1 160 . 1 1 11 11 DA C4' C 13 87.84 . . 1 . . . . 11 A C4' . 15527 1 161 . 1 1 11 11 DA C8 C 13 141.69 . . 1 . . . . 11 A C8 . 15527 1 162 . 1 1 11 11 DA P P 31 0.07 0.02 . 1 . . . . 11 A P . 15527 1 163 . 1 1 12 12 DT H1' H 1 5.95 . . 1 . . . . 12 T H1' . 15527 1 164 . 1 1 12 12 DT H2' H 1 2.00 . . 1 . . . . 12 T H2' . 15527 1 165 . 1 1 12 12 DT H2'' H 1 2.52 . . 1 . . . . 12 T H2'' . 15527 1 166 . 1 1 12 12 DT H3 H 1 13.68 . . 1 . . . . 12 T H3 . 15527 1 167 . 1 1 12 12 DT H3' H 1 4.85 . . 1 . . . . 12 T H3' . 15527 1 168 . 1 1 12 12 DT H4' H 1 4.19 . . 1 . . . . 12 T H4' . 15527 1 169 . 1 1 12 12 DT H6 H 1 7.25 . . 1 . . . . 12 T H6 . 15527 1 170 . 1 1 12 12 DT H71 H 1 1.45 . . 2 . . . . 12 T H7 . 15527 1 171 . 1 1 12 12 DT H72 H 1 1.45 . . 2 . . . . 12 T H7 . 15527 1 172 . 1 1 12 12 DT H73 H 1 1.45 . . 2 . . . . 12 T H7 . 15527 1 173 . 1 1 12 12 DT C1' C 13 85.14 0.15 . 1 . . . . 12 T C1' . 15527 1 174 . 1 1 12 12 DT C2' C 13 39.14 . . 1 . . . . 12 T C2' . 15527 1 175 . 1 1 12 12 DT C3' C 13 76.84 0.15 . 1 . . . . 12 T C3' . 15527 1 176 . 1 1 12 12 DT C5 C 13 14.30 . . 1 . . . . 12 T C5 . 15527 1 177 . 1 1 12 12 DT C6 C 13 138.37 . . 1 . . . . 12 T C6 . 15527 1 178 . 1 1 12 12 DT P P 31 0.31 0.02 . 1 . . . . 12 T P . 15527 1 179 . 1 1 13 13 DT H1' H 1 5.93 . . 1 . . . . 13 T H1' . 15527 1 180 . 1 1 13 13 DT H2' H 1 2.02 . . 1 . . . . 13 T H2' . 15527 1 181 . 1 1 13 13 DT H2'' H 1 2.42 . . 1 . . . . 13 T H2'' . 15527 1 182 . 1 1 13 13 DT H3 H 1 14.00 . . 1 . . . . 13 T H3 . 15527 1 183 . 1 1 13 13 DT H3' H 1 4.88 . . 1 . . . . 13 T H3' . 15527 1 184 . 1 1 13 13 DT H4' H 1 4.13 . . 1 . . . . 13 T H4' . 15527 1 185 . 1 1 13 13 DT H6 H 1 7.35 . . 1 . . . . 13 T H6 . 15527 1 186 . 1 1 13 13 DT H71 H 1 1.70 . . 2 . . . . 13 T H7 . 15527 1 187 . 1 1 13 13 DT H72 H 1 1.70 . . 2 . . . . 13 T H7 . 15527 1 188 . 1 1 13 13 DT H73 H 1 1.70 . . 2 . . . . 13 T H7 . 15527 1 189 . 1 1 13 13 DT C1' C 13 85.54 . . 1 . . . . 13 T C1' . 15527 1 190 . 1 1 13 13 DT C2' C 13 39.24 . . 1 . . . . 13 T C2' . 15527 1 191 . 1 1 13 13 DT C3' C 13 77.14 . . 1 . . . . 13 T C3' . 15527 1 192 . 1 1 13 13 DT C5 C 13 14.50 . . 1 . . . . 13 T C5 . 15527 1 193 . 1 1 13 13 DT C6 C 13 139.79 . . 1 . . . . 13 T C6 . 15527 1 194 . 1 1 13 13 DT P P 31 0.46 . . 1 . . . . 13 T P . 15527 1 195 . 1 1 14 14 DG H1 H 1 13.22 . . 1 . . . . 14 G H1 . 15527 1 196 . 1 1 14 14 DG H1' H 1 6.18 . . 1 . . . . 14 G H1' . 15527 1 197 . 1 1 14 14 DG H2' H 1 2.64 . . 1 . . . . 14 G H2' . 15527 1 198 . 1 1 14 14 DG H2'' H 1 2.40 . . 1 . . . . 14 G H2'' . 15527 1 199 . 1 1 14 14 DG H3' H 1 4.70 . . 1 . . . . 14 G H3' . 15527 1 200 . 1 1 14 14 DG H4' H 1 4.20 . . 1 . . . . 14 G H4' . 15527 1 201 . 1 1 14 14 DG H8 H 1 7.96 . . 1 . . . . 14 G H8 . 15527 1 202 . 1 1 14 14 DG C1' C 13 86.47 . . 1 . . . . 14 G C1' . 15527 1 203 . 1 1 14 14 DG C2' C 13 42.09 . . 1 . . . . 14 G C2' . 15527 1 204 . 1 1 14 14 DG C3' C 13 73.34 . . 1 . . . . 14 G C3' . 15527 1 205 . 1 1 14 14 DG C4' C 13 88.04 . . 1 . . . . 14 G C4' . 15527 1 206 . 1 1 14 14 DG C8 C 13 139.36 . . 1 . . . . 14 G C8 . 15527 1 207 . 2 2 1 1 DC H1' H 1 5.68 . . 1 . . . . 15 C H1' . 15527 1 208 . 2 2 1 1 DC H2' H 1 1.86 . . 1 . . . . 15 C H2' . 15527 1 209 . 2 2 1 1 DC H2'' H 1 2.37 . . 1 . . . . 15 C H2'' . 15527 1 210 . 2 2 1 1 DC H3' H 1 4.72 . . 1 . . . . 15 C H3' . 15527 1 211 . 2 2 1 1 DC H4' H 1 4.07 . . 1 . . . . 15 C H4' . 15527 1 212 . 2 2 1 1 DC H5 H 1 5.96 . . 1 . . . . 15 C H5 . 15527 1 213 . 2 2 1 1 DC H6 H 1 7.65 . . 1 . . . . 15 C H6 . 15527 1 214 . 2 2 1 1 DC C1' C 13 85.10 . . 5 . . . . 15 C C1' . 15527 1 215 . 2 2 1 1 DC C2' C 13 40.20 . . 5 . . . . 15 C C2' . 15527 1 216 . 2 2 1 1 DC C3' C 13 77.80 . . 1 . . . . 15 C C3' . 15527 1 217 . 2 2 1 1 DC C4' C 13 88.30 . . 1 . . . . 15 C C4' . 15527 1 218 . 2 2 1 1 DC C5 C 13 99.55 . . 1 . . . . 15 C C5 . 15527 1 219 . 2 2 1 1 DC C6 C 13 143.29 . . 1 . . . . 15 C C6 . 15527 1 220 . 2 2 1 1 DC P P 31 0.43 . . 1 . . . . 15 C P . 15527 1 221 . 2 2 2 2 DA H1' H 1 5.95 . . 1 . . . . 16 A H1' . 15527 1 222 . 2 2 2 2 DA H2 H 1 7.44 . . 1 . . . . 16 A H2 . 15527 1 223 . 2 2 2 2 DA H2' H 1 2.84 . . 1 . . . . 16 A H2' . 15527 1 224 . 2 2 2 2 DA H2'' H 1 2.96 . . 1 . . . . 16 A H2'' . 15527 1 225 . 2 2 2 2 DA H3' H 1 5.08 . . 1 . . . . 16 A H3' . 15527 1 226 . 2 2 2 2 DA H4' H 1 4.40 . . 1 . . . . 16 A H4' . 15527 1 227 . 2 2 2 2 DA H8 H 1 8.33 . . 1 . . . . 16 A H8 . 15527 1 228 . 2 2 2 2 DA C2 C 13 154.10 . . 1 . . . . 16 A C2 . 15527 1 229 . 2 2 2 2 DA C2' C 13 40.40 . . 1 . . . . 16 A C2' . 15527 1 230 . 2 2 2 2 DA C8 C 13 141.86 . . 1 . . . . 16 A C8 . 15527 1 231 . 2 2 2 2 DA P P 31 0.33 . . 1 . . . . 16 A P . 15527 1 232 . 2 2 3 3 DA H1' H 1 6.23 . . 1 . . . . 17 A H1' . 15527 1 233 . 2 2 3 3 DA H2 H 1 7.76 . . 1 . . . . 17 A H2 . 15527 1 234 . 2 2 3 3 DA H2' H 1 2.62 . . 1 . . . . 17 A H2' . 15527 1 235 . 2 2 3 3 DA H2'' H 1 2.92 . . 1 . . . . 17 A H2'' . 15527 1 236 . 2 2 3 3 DA H3' H 1 5.05 . . 1 . . . . 17 A H3' . 15527 1 237 . 2 2 3 3 DA H4' H 1 4.48 . . 1 . . . . 17 A H4' . 15527 1 238 . 2 2 3 3 DA H8 H 1 8.20 . . 1 . . . . 17 A H8 . 15527 1 239 . 2 2 3 3 DA C1' C 13 84.90 . . 1 . . . . 17 A C1' . 15527 1 240 . 2 2 3 3 DA C2 C 13 154.60 . . 1 . . . . 17 A C2 . 15527 1 241 . 2 2 3 3 DA C4' C 13 87.40 . . 1 . . . . 17 A C4' . 15527 1 242 . 2 2 3 3 DA C8 C 13 141.25 . . 1 . . . . 17 A C8 . 15527 1 243 . 2 2 3 3 DA P P 31 0.11 . . 1 . . . . 17 A P . 15527 1 244 . 2 2 4 4 DT H1' H 1 5.68 . . 1 . . . . 18 T H1' . 15527 1 245 . 2 2 4 4 DT H2' H 1 1.86 . . 1 . . . . 18 T H2' . 15527 1 246 . 2 2 4 4 DT H2'' H 1 2.32 . . 1 . . . . 18 T H2'' . 15527 1 247 . 2 2 4 4 DT H3 H 1 13.20 . . 1 . . . . 18 T H3 . 15527 1 248 . 2 2 4 4 DT H3' H 1 4.85 . . 1 . . . . 18 T H3' . 15527 1 249 . 2 2 4 4 DT H4' H 1 4.13 . . 1 . . . . 18 T H4' . 15527 1 250 . 2 2 4 4 DT H6 H 1 6.99 . . 1 . . . . 18 T H6 . 15527 1 251 . 2 2 4 4 DT H71 H 1 1.34 . . 2 . . . . 18 T H7 . 15527 1 252 . 2 2 4 4 DT H72 H 1 1.34 . . 2 . . . . 18 T H7 . 15527 1 253 . 2 2 4 4 DT H73 H 1 1.34 . . 2 . . . . 18 T H7 . 15527 1 254 . 2 2 4 4 DT C1' C 13 86.30 . . 5 . . . . 18 T C1' . 15527 1 255 . 2 2 4 4 DT C2' C 13 39.40 . . 5 . . . . 18 T C2' . 15527 1 256 . 2 2 4 4 DT C5 C 13 14.30 . . 1 . . . . 18 T C5 . 15527 1 257 . 2 2 4 4 DT C6 C 13 138.00 . . 1 . . . . 18 T C6 . 15527 1 258 . 2 2 4 4 DT P P 31 0.28 0.02 . 1 . . . . 18 T P . 15527 1 259 . 2 2 5 5 DG H1 H 1 12.20 . . 1 . . . . 19 G H1 . 15527 1 260 . 2 2 5 5 DG H1' H 1 5.51 . . 1 . . . . 19 G H1' . 15527 1 261 . 2 2 5 5 DG H2' H 1 2.66 . . 1 . . . . 19 G H2' . 15527 1 262 . 2 2 5 5 DG H2'' H 1 2.76 . . 1 . . . . 19 G H2'' . 15527 1 263 . 2 2 5 5 DG H3' H 1 5.00 . . 1 . . . . 19 G H3' . 15527 1 264 . 2 2 5 5 DG H4' H 1 4.33 . . 1 . . . . 19 G H4' . 15527 1 265 . 2 2 5 5 DG H8 H 1 7.80 . . 1 . . . . 19 G H8 . 15527 1 266 . 2 2 5 5 DG C1' C 13 84.10 . . 1 . . . . 19 G C1' . 15527 1 267 . 2 2 5 5 DG C8 C 13 138.17 . . 1 . . . . 19 G C8 . 15527 1 268 . 2 2 5 5 DG P P 31 0.38 . . 1 . . . . 19 G P . 15527 1 269 . 2 2 6 6 DA H1' H 1 6.19 . . 1 . . . . 20 A H1' . 15527 1 270 . 2 2 6 6 DA H2 H 1 7.78 . . 1 . . . . 20 A H2 . 15527 1 271 . 2 2 6 6 DA H2' H 1 2.65 . . 1 . . . . 20 A H2' . 15527 1 272 . 2 2 6 6 DA H2'' H 1 2.87 . . 1 . . . . 20 A H2'' . 15527 1 273 . 2 2 6 6 DA H3' H 1 5.04 . . 1 . . . . 20 A H3' . 15527 1 274 . 2 2 6 6 DA H4' H 1 4.45 . . 1 . . . . 20 A H4' . 15527 1 275 . 2 2 6 6 DA H8 H 1 8.12 . . 1 . . . . 20 A H8 . 15527 1 276 . 2 2 6 6 DA C2 C 13 155.06 . . 1 . . . . 20 A C2 . 15527 1 277 . 2 2 6 6 DA C2' C 13 40.50 . . 1 . . . . 20 A C2' . 15527 1 278 . 2 2 6 6 DA C8 C 13 141.03 . . 1 . . . . 20 A C8 . 15527 1 279 . 2 2 6 6 DA P P 31 0.24 0.02 . 1 . . . . 20 A P . 15527 1 280 . 2 2 7 7 DC H1' H 1 5.56 . . 1 . . . . 21 C H1' . 15527 1 281 . 2 2 7 7 DC H2' H 1 1.90 . . 1 . . . . 21 C H2' . 15527 1 282 . 2 2 7 7 DC H2'' H 1 2.32 . . 1 . . . . 21 C H2'' . 15527 1 283 . 2 2 7 7 DC H3' H 1 4.79 . . 1 . . . . 21 C H3' . 15527 1 284 . 2 2 7 7 DC H4' H 1 4.11 . . 1 . . . . 21 C H4' . 15527 1 285 . 2 2 7 7 DC H5 H 1 5.16 . . 1 . . . . 21 C H5 . 15527 1 286 . 2 2 7 7 DC H6 H 1 7.14 . . 1 . . . . 21 C H6 . 15527 1 287 . 2 2 7 7 DC H41 H 1 7.88 . . 1 . . . . 21 C H41 . 15527 1 288 . 2 2 7 7 DC H42 H 1 6.27 . . 1 . . . . 21 C H42 . 15527 1 289 . 2 2 7 7 DC C5 C 13 98.25 . . 1 . . . . 21 C C5 . 15527 1 290 . 2 2 7 7 DC C6 C 13 142.00 . . 1 . . . . 21 C C6 . 15527 1 291 . 2 2 7 7 DC P P 31 0.42 0.02 . 1 . . . . 21 C P . 15527 1 292 . 2 2 8 8 DG H1 H 1 12.66 . . 1 . . . . 22 G H1 . 15527 1 293 . 2 2 8 8 DG H1' H 1 5.86 . . 1 . . . . 22 G H1' . 15527 1 294 . 2 2 8 8 DG H2' H 1 2.60 . . 1 . . . . 22 G H2' . 15527 1 295 . 2 2 8 8 DG H2'' H 1 2.72 . . 1 . . . . 22 G H2'' . 15527 1 296 . 2 2 8 8 DG H3' H 1 4.99 . . 1 . . . . 22 G H3' . 15527 1 297 . 2 2 8 8 DG H4' H 1 4.34 . . 1 . . . . 22 G H4' . 15527 1 298 . 2 2 8 8 DG H8 H 1 7.80 . . 1 . . . . 22 G H8 . 15527 1 299 . 2 2 8 8 DG C8 C 13 138.17 . . 1 . . . . 22 G C8 . 15527 1 300 . 2 2 8 8 DG P P 31 0.28 0.02 . 1 . . . . 22 G P . 15527 1 301 . 2 2 9 9 DC H1' H 1 5.66 . . 1 . . . . 23 C H1' . 15527 1 302 . 2 2 9 9 DC H2' H 1 2.02 . . 1 . . . . 23 C H2' . 15527 1 303 . 2 2 9 9 DC H2'' H 1 2.40 . . 1 . . . . 23 C H2'' . 15527 1 304 . 2 2 9 9 DC H3' H 1 4.83 . . 1 . . . . 23 C H3' . 15527 1 305 . 2 2 9 9 DC H4' H 1 4.16 . . 1 . . . . 23 C H4' . 15527 1 306 . 2 2 9 9 DC H5 H 1 5.27 . . 1 . . . . 23 C H5 . 15527 1 307 . 2 2 9 9 DC H6 H 1 7.24 . . 1 . . . . 23 C H6 . 15527 1 308 . 2 2 9 9 DC H41 H 1 8.04 . . 1 . . . . 23 C H41 . 15527 1 309 . 2 2 9 9 DC H42 H 1 6.16 . . 1 . . . . 23 C H42 . 15527 1 310 . 2 2 9 9 DC C1' C 13 87.90 . . 5 . . . . 23 C C1' . 15527 1 311 . 2 2 9 9 DC C5 C 13 98.40 . . 1 . . . . 23 C C5 . 15527 1 312 . 2 2 9 9 DC C6 C 13 142.18 . . 1 . . . . 23 C C6 . 15527 1 313 . 2 2 9 9 DC P P 31 0.46 0.02 . 1 . . . . 23 C P . 15527 1 314 . 2 2 10 10 DG H1 H 1 12.35 . . 1 . . . . 24 G H1 . 15527 1 315 . 2 2 10 10 DG H1' H 1 5.93 . . 1 . . . . 24 G H1' . 15527 1 316 . 2 2 10 10 DG H2' H 1 2.60 . . 1 . . . . 24 G H2' . 15527 1 317 . 2 2 10 10 DG H2'' H 1 2.76 . . 1 . . . . 24 G H2'' . 15527 1 318 . 2 2 10 10 DG H3' H 1 4.94 . . 1 . . . . 24 G H3' . 15527 1 319 . 2 2 10 10 DG H4' H 1 4.35 . . 1 . . . . 24 G H4' . 15527 1 320 . 2 2 10 10 DG H8 H 1 7.85 . . 1 . . . . 24 G H8 . 15527 1 321 . 2 2 10 10 DG C8 C 13 138.33 . . 1 . . . . 24 G C8 . 15527 1 322 . 2 2 10 10 DG P P 31 0.12 0.02 . 1 . . . . 24 G P . 15527 1 323 . 2 2 11 11 DT H1' H 1 5.57 . . 1 . . . . 25 T H1' . 15527 1 324 . 2 2 11 11 DT H2' H 1 1.92 . . 1 . . . . 25 T H2' . 15527 1 325 . 2 2 11 11 DT H2'' H 1 2.27 . . 1 . . . . 25 T H2'' . 15527 1 326 . 2 2 11 11 DT H3 H 1 13.34 . . 1 . . . . 25 T H3 . 15527 1 327 . 2 2 11 11 DT H3' H 1 4.84 . . 1 . . . . 25 T H3' . 15527 1 328 . 2 2 11 11 DT H4' H 1 4.14 . . 1 . . . . 25 T H4' . 15527 1 329 . 2 2 11 11 DT H6 H 1 7.15 . . 1 . . . . 25 T H6 . 15527 1 330 . 2 2 11 11 DT H71 H 1 1.52 . . 2 . . . . 25 T H7 . 15527 1 331 . 2 2 11 11 DT H72 H 1 1.52 . . 2 . . . . 25 T H7 . 15527 1 332 . 2 2 11 11 DT H73 H 1 1.52 . . 2 . . . . 25 T H7 . 15527 1 333 . 2 2 11 11 DT C5 C 13 14.50 . . 1 . . . . 25 T C5 . 15527 1 334 . 2 2 11 11 DT C6 C 13 138.11 . . 1 . . . . 25 T C6 . 15527 1 335 . 2 2 11 11 DT P P 31 0.49 0.02 . 1 . . . . 25 T P . 15527 1 336 . 2 2 12 12 DA H1' H 1 5.86 . . 1 . . . . 26 A H1' . 15527 1 337 . 2 2 12 12 DA H2 H 1 7.16 . . 1 . . . . 26 A H2 . 15527 1 338 . 2 2 12 12 DA H2' H 1 2.72 . . 1 . . . . 26 A H2' . 15527 1 339 . 2 2 12 12 DA H2'' H 1 2.86 . . 1 . . . . 26 A H2'' . 15527 1 340 . 2 2 12 12 DA H3' H 1 5.04 . . 1 . . . . 26 A H3' . 15527 1 341 . 2 2 12 12 DA H4' H 1 4.36 . . 1 . . . . 26 A H4' . 15527 1 342 . 2 2 12 12 DA H8 H 1 8.22 . . 1 . . . . 26 A H8 . 15527 1 343 . 2 2 12 12 DA C2 C 13 153.96 . . 1 . . . . 26 A C2 . 15527 1 344 . 2 2 12 12 DA C2' C 13 40.25 . . 1 . . . . 26 A C2' . 15527 1 345 . 2 2 12 12 DA C8 C 13 141.90 . . 1 . . . . 26 A C8 . 15527 1 346 . 2 2 12 12 DA P P 31 0.32 0.02 . 1 . . . . 26 A P . 15527 1 347 . 2 2 13 13 DA H1' H 1 6.01 . . 1 . . . . 27 A H1' . 15527 1 348 . 2 2 13 13 DA H2 H 1 7.66 . . 1 . . . . 27 A H2 . 15527 1 349 . 2 2 13 13 DA H2' H 1 2.59 . . 1 . . . . 27 A H2' . 15527 1 350 . 2 2 13 13 DA H2'' H 1 2.83 . . 1 . . . . 27 A H2'' . 15527 1 351 . 2 2 13 13 DA H3' H 1 5.03 . . 1 . . . . 27 A H3' . 15527 1 352 . 2 2 13 13 DA H4' H 1 4.42 . . 1 . . . . 27 A H4' . 15527 1 353 . 2 2 13 13 DA H8 H 1 8.05 . . 1 . . . . 27 A H8 . 15527 1 354 . 2 2 13 13 DA C2 C 13 154.29 . . 1 . . . . 27 A C2 . 15527 1 355 . 2 2 13 13 DA C2' C 13 40.70 . . 1 . . . . 27 A C2' . 15527 1 356 . 2 2 13 13 DA C4' C 13 87.60 . . 1 . . . . 27 A C4' . 15527 1 357 . 2 2 13 13 DA C8 C 13 141.15 . . 1 . . . . 27 A C8 . 15527 1 358 . 2 2 13 13 DA P P 31 0.39 0.02 . 1 . . . . 27 A P . 15527 1 359 . 2 2 14 14 DG H1 H 1 13.22 . . 1 . . . . 28 G H1 . 15527 1 360 . 2 2 14 14 DG H1' H 1 5.99 . . 1 . . . . 28 G H1' . 15527 1 361 . 2 2 14 14 DG H2' H 1 2.38 . . 1 . . . . 28 G H2' . 15527 1 362 . 2 2 14 14 DG H2'' H 1 2.28 . . 1 . . . . 28 G H2'' . 15527 1 363 . 2 2 14 14 DG H3' H 1 4.61 . . 1 . . . . 28 G H3' . 15527 1 364 . 2 2 14 14 DG H4' H 1 4.17 . . 1 . . . . 28 G H4' . 15527 1 365 . 2 2 14 14 DG H8 H 1 7.60 . . 1 . . . . 28 G H8 . 15527 1 366 . 2 2 14 14 DG C2' C 13 42.70 . . 1 . . . . 28 G C2' . 15527 1 367 . 2 2 14 14 DG C3' C 13 72.50 . . 1 . . . . 28 G C3' . 15527 1 368 . 2 2 14 14 DG C8 C 13 138.35 . . 1 . . . . 28 G C8 . 15527 1 stop_ save_