data_34244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34244 _Entry.Title ; Concerted dynamics of metallo-base pairs in an A/B-form helical transition (major species) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-11 _Entry.Accession_date 2018-03-11 _Entry.Last_release_date 2018-07-12 _Entry.Original_release_date 2018-07-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.32 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34244 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 O. Schmidt O. P. . . 34244 2 S. Jurt S. . . . 34244 3 S. Johannsen S. . . . 34244 4 A. Karimi A. . . . 34244 5 R. Sigel R. K.O. . . 34244 6 N. Luedtke N. W. . . 34244 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'A-form helix' . 34244 'B-form helix' . 34244 DNA . 34244 'mercury(II)-mediated base pair' . 34244 'metallated duplex DNA' . 34244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 292 34244 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 . . 2019-11-05 2018-03-11 update author 'update entry citation.' 34244 2 . . 2019-10-18 2018-03-11 update author 'update entry citation, etc.' 34244 1 . . 2019-10-03 2018-03-11 original author 'original release' 34244 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34245 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (minor species)' 34244 BMRB 34398 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species)' 34244 PDB 6FY6 . 34244 PDB 6FY7 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (minor species)' 34244 PDB 6RLS 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species)' 34244 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34244 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31645548 _Citation.Full_citation . _Citation.Title ; Concerted dynamics of metallo-base pairs in an A/B-form helical transition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4818 _Citation.Page_last 4818 _Citation.Year 2019 _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 O. Schmidt O. P. . . 34244 1 2 S. Jurt S. . . . 34244 1 3 S. Johannsen S. . . . 34244 1 4 A. Karimi A. . . . 34244 1 5 R. Sigel R. K.O. . . 34244 1 6 N. Luedtke N. W. . . 34244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34244 _Assembly.ID 1 _Assembly.Name "DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_major" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34244 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34244 1 3 'entity_2, 1' 2 $entity_HG C A no . . . . . . 34244 1 4 'entity_2, 2' 2 $entity_HG D A no . . . . . . 34244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name "DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_major" _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGTCTCATGATACG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4255.778 _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 . 34244 1 2 . DG . 34244 1 3 . DT . 34244 1 4 . DC . 34244 1 5 . DT . 34244 1 6 . DC . 34244 1 7 . DA . 34244 1 8 . DT . 34244 1 9 . DG . 34244 1 10 . DA . 34244 1 11 . DT . 34244 1 12 . DA . 34244 1 13 . DC . 34244 1 14 . DG . 34244 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 34244 1 . DG 2 2 34244 1 . DT 3 3 34244 1 . DC 4 4 34244 1 . DT 5 5 34244 1 . DC 6 6 34244 1 . DA 7 7 34244 1 . DT 8 8 34244 1 . DG 9 9 34244 1 . DA 10 10 34244 1 . DT 11 11 34244 1 . DA 12 12 34244 1 . DC 13 13 34244 1 . DG 14 14 34244 1 stop_ save_ save_entity_HG _Entity.Sf_category entity _Entity.Sf_framecode entity_HG _Entity.Entry_ID 34244 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'MERCURY (II) ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HG _Entity.Nonpolymer_comp_label $chem_comp_HG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 200.590 _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 1 HG $chem_comp_HG 34244 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 34244 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 34244 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 34244 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34244 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HG _Chem_comp.Entry_ID 34244 _Chem_comp.ID HG _Chem_comp.Provenance PDB _Chem_comp.Name 'MERCURY (II) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HG _Chem_comp.PDB_code HG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Hg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Hg _Chem_comp.Formula_weight 200.590 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BQPIGGFYSBELGY-UHFFFAOYSA-N InChIKey InChI 1.03 34244 HG InChI=1S/Hg/q+2 InChI InChI 1.03 34244 HG [Hg++] SMILES CACTVS 3.341 34244 HG [Hg++] SMILES_CANONICAL CACTVS 3.341 34244 HG [Hg+2] SMILES ACDLabs 10.04 34244 HG [Hg+2] SMILES 'OpenEye OEToolkits' 1.5.0 34244 HG [Hg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34244 HG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID mercury 'SYSTEMATIC NAME' ACDLabs 10.04 34244 HG 'mercury(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34244 HG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID HG HG HG HG . HG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34244 HG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34244 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM polydeoxyribonucleotide, 1.2 mM MERCURY (II) ION, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 polydeoxyribonucleotide none . . . . . . 0.4 . . mM . . . . 34244 1 2 'MERCURY (II) ION' none 1 $assembly 2 $entity_HG . . 1.2 . . mM . . . . 34244 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34244 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM polydeoxyribonucleotide, 1.2 mM MERCURY (II) ION, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 polydeoxyribonucleotide none . . . . . . 0.4 . . mM . . . . 34244 2 2 'MERCURY (II) ION' none 1 $assembly 2 $entity_HG . . 1.2 . . mM . . . . 34244 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 34244 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34244 1 pH 7.75 . pH 34244 1 pressure 1 . atm 34244 1 temperature 277 . K 34244 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 34244 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34244 2 pH 7.35 . pD 34244 2 pressure 1 . atm 34244 2 temperature 298 . K 34244 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34244 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.0.b.16 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34244 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34244 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34244 _Software.ID 2 _Software.Type . _Software.Name XPLOR_NIH _Software.Version 2.46 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra' . . 34244 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34244 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34244 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34244 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34244 3 . 'peak picking' 34244 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34244 _Software.ID 4 _Software.Type . _Software.Name XPLOR-NIH _Software.Version 2.46 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra' . . 34244 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34244 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34244 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34244 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 34244 1 2 NMR_spectrometer_2 Bruker Avance . 700 . . . 34244 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 34244 _Experiment_list.ID 1 _Experiment_list.Details . 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 NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34244 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34244 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34244 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34244 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34244 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34244 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34244 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'For spectra measured at 298K' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.70 internal direct 1 . . . temperature 0.07 34244 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 34244 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'For spectra measured at 277K' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.70 internal direct 1 . . . Temperature 0.30 34244 2 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' 2 $sample_2 isotropic 34244 1 2 '2D 1H-1H COSY' 2 $sample_2 isotropic 34244 1 3 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 34244 1 4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 34244 1 5 '2D 1H-1H NOESY' 2 $sample_2 isotropic 34244 1 6 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 34244 1 7 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 34244 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DC H1' H 1 5.816 0.001 . . . . . . A 1 DC H1' . 34244 1 2 . 1 1 1 1 DC H2' H 1 2.064 0.001 . . . . . . A 1 DC H2' . 34244 1 3 . 1 1 1 1 DC H2'' H 1 2.473 0.001 . . . . . . A 1 DC H2'' . 34244 1 4 . 1 1 1 1 DC H3' H 1 4.723 0.002 . . . . . . A 1 DC H3' . 34244 1 5 . 1 1 1 1 DC H4' H 1 4.096 0.001 . . . . . . A 1 DC H4' . 34244 1 6 . 1 1 1 1 DC H5 H 1 5.935 0.001 . . . . . . A 1 DC H5 . 34244 1 7 . 1 1 1 1 DC H5' H 1 3.747 0.001 . . . . . . A 1 DC H5' . 34244 1 8 . 1 1 1 1 DC H6 H 1 7.679 0.001 . . . . . . A 1 DC H6 . 34244 1 9 . 1 1 1 1 DC H41 H 1 7.118 0.003 . . . . . . A 1 DC H41 . 34244 1 10 . 1 1 1 1 DC H42 H 1 8.156 0.003 . . . . . . A 1 DC H42 . 34244 1 11 . 1 1 2 2 DG H1 H 1 12.946 0.003 . . . . . . A 2 DG H1 . 34244 1 12 . 1 1 2 2 DG H1' H 1 6.059 0.002 . . . . . . A 2 DG H1' . 34244 1 13 . 1 1 2 2 DG H2' H 1 2.704 0.002 . . . . . . A 2 DG H2' . 34244 1 14 . 1 1 2 2 DG H2'' H 1 2.841 0.002 . . . . . . A 2 DG H2'' . 34244 1 15 . 1 1 2 2 DG H3' H 1 4.994 0.001 . . . . . . A 2 DG H3' . 34244 1 16 . 1 1 2 2 DG H4' H 1 4.399 0.001 . . . . . . A 2 DG H4' . 34244 1 17 . 1 1 2 2 DG H5' H 1 4.052 0.002 . . . . . . A 2 DG H5' . 34244 1 18 . 1 1 2 2 DG H5'' H 1 4.132 0.001 . . . . . . A 2 DG H5'' . 34244 1 19 . 1 1 2 2 DG H8 H 1 8.000 0.001 . . . . . . A 2 DG H8 . 34244 1 20 . 1 1 3 3 DT H1' H 1 6.006 0.002 . . . . . . A 3 DT H1' . 34244 1 21 . 1 1 3 3 DT H2' H 1 2.230 0.002 . . . . . . A 3 DT H2' . 34244 1 22 . 1 1 3 3 DT H2'' H 1 2.519 0.002 . . . . . . A 3 DT H2'' . 34244 1 23 . 1 1 3 3 DT H3 H 1 13.748 0.003 . . . . . . A 3 DT H3 . 34244 1 24 . 1 1 3 3 DT H3' H 1 4.874 0.001 . . . . . . A 3 DT H3' . 34244 1 25 . 1 1 3 3 DT H4' H 1 4.261 0.002 . . . . . . A 3 DT H4' . 34244 1 26 . 1 1 3 3 DT H5' H 1 4.405 0.001 . . . . . . A 3 DT H5' . 34244 1 27 . 1 1 3 3 DT H6 H 1 7.292 0.001 . . . . . . A 3 DT H6 . 34244 1 28 . 1 1 3 3 DT H71 H 1 1.477 0.002 . . . . . . A 3 DT H71 . 34244 1 29 . 1 1 3 3 DT H72 H 1 1.477 0.002 . . . . . . A 3 DT H72 . 34244 1 30 . 1 1 3 3 DT H73 H 1 1.477 0.002 . . . . . . A 3 DT H73 . 34244 1 31 . 1 1 4 4 DC H1' H 1 6.016 0.001 . . . . . . A 4 DC H1' . 34244 1 32 . 1 1 4 4 DC H2' H 1 1.833 0.002 . . . . . . A 4 DC H2' . 34244 1 33 . 1 1 4 4 DC H2'' H 1 2.425 0.002 . . . . . . A 4 DC H2'' . 34244 1 34 . 1 1 4 4 DC H3' H 1 4.700 0.002 . . . . . . A 4 DC H3' . 34244 1 35 . 1 1 4 4 DC H4' H 1 4.139 0.002 . . . . . . A 4 DC H4' . 34244 1 36 . 1 1 4 4 DC H5 H 1 5.555 0.001 . . . . . . A 4 DC H5 . 34244 1 37 . 1 1 4 4 DC H5' H 1 4.333 0.001 . . . . . . A 4 DC H5' . 34244 1 38 . 1 1 4 4 DC H5'' H 1 4.241 0.002 . . . . . . A 4 DC H5'' . 34244 1 39 . 1 1 4 4 DC H6 H 1 7.525 0.001 . . . . . . A 4 DC H6 . 34244 1 40 . 1 1 4 4 DC H41 H 1 6.999 0.002 . . . . . . A 4 DC H41 . 34244 1 41 . 1 1 4 4 DC H42 H 1 7.659 0.003 . . . . . . A 4 DC H42 . 34244 1 42 . 1 1 5 5 DT H1' H 1 6.170 0.002 . . . . . . A 5 DT H1' . 34244 1 43 . 1 1 5 5 DT H2' H 1 2.499 0.003 . . . . . . A 5 DT H2' . 34244 1 44 . 1 1 5 5 DT H2'' H 1 2.574 0.003 . . . . . . A 5 DT H2'' . 34244 1 45 . 1 1 5 5 DT H3 H 1 13.472 0.003 . . . . . . A 5 DT H3 . 34244 1 46 . 1 1 5 5 DT H3' H 1 4.945 0.002 . . . . . . A 5 DT H3' . 34244 1 47 . 1 1 5 5 DT H4' H 1 4.339 0.001 . . . . . . A 5 DT H4' . 34244 1 48 . 1 1 5 5 DT H5' H 1 4.117 0.003 . . . . . . A 5 DT H5' . 34244 1 49 . 1 1 5 5 DT H5'' H 1 4.069 0.002 . . . . . . A 5 DT H5'' . 34244 1 50 . 1 1 5 5 DT H6 H 1 7.591 0.002 . . . . . . A 5 DT H6 . 34244 1 51 . 1 1 5 5 DT H71 H 1 1.749 0.001 . . . . . . A 5 DT H71 . 34244 1 52 . 1 1 5 5 DT H72 H 1 1.749 0.001 . . . . . . A 5 DT H72 . 34244 1 53 . 1 1 5 5 DT H73 H 1 1.749 0.001 . . . . . . A 5 DT H73 . 34244 1 54 . 1 1 6 6 DC H1' H 1 5.648 0.002 . . . . . . A 6 DC H1' . 34244 1 55 . 1 1 6 6 DC H2' H 1 2.033 0.001 . . . . . . A 6 DC H2' . 34244 1 56 . 1 1 6 6 DC H2'' H 1 2.405 0.001 . . . . . . A 6 DC H2'' . 34244 1 57 . 1 1 6 6 DC H3' H 1 4.878 0.001 . . . . . . A 6 DC H3' . 34244 1 58 . 1 1 6 6 DC H4' H 1 4.151 0.001 . . . . . . A 6 DC H4' . 34244 1 59 . 1 1 6 6 DC H5 H 1 5.799 0.002 . . . . . . A 6 DC H5 . 34244 1 60 . 1 1 6 6 DC H6 H 1 7.511 0.002 . . . . . . A 6 DC H6 . 34244 1 61 . 1 1 6 6 DC H41 H 1 8.462 0.002 . . . . . . A 6 DC H41 . 34244 1 62 . 1 1 6 6 DC H42 H 1 7.020 0.003 . . . . . . A 6 DC H42 . 34244 1 63 . 1 1 7 7 DA H1' H 1 6.213 0.001 . . . . . . A 7 DA H1' . 34244 1 64 . 1 1 7 7 DA H2 H 1 7.641 0.002 . . . . . . A 7 DA H2 . 34244 1 65 . 1 1 7 7 DA H2' H 1 2.711 0.003 . . . . . . A 7 DA H2' . 34244 1 66 . 1 1 7 7 DA H2'' H 1 2.908 0.002 . . . . . . A 7 DA H2'' . 34244 1 67 . 1 1 7 7 DA H3' H 1 5.024 0.001 . . . . . . A 7 DA H3' . 34244 1 68 . 1 1 7 7 DA H4' H 1 4.419 0.002 . . . . . . A 7 DA H4' . 34244 1 69 . 1 1 7 7 DA H5' H 1 4.156 0.003 . . . . . . A 7 DA H5' . 34244 1 70 . 1 1 7 7 DA H5'' H 1 4.078 0.002 . . . . . . A 7 DA H5'' . 34244 1 71 . 1 1 7 7 DA H8 H 1 8.362 0.001 . . . . . . A 7 DA H8 . 34244 1 72 . 1 1 7 7 DA H61 H 1 7.802 0.003 . . . . . . A 7 DA H61 . 34244 1 73 . 1 1 7 7 DA H62 H 1 6.442 0.002 . . . . . . A 7 DA H62 . 34244 1 74 . 1 1 8 8 DT H1' H 1 5.652 0.001 . . . . . . A 8 DT H1' . 34244 1 75 . 1 1 8 8 DT H2' H 1 1.747 0.001 . . . . . . A 8 DT H2' . 34244 1 76 . 1 1 8 8 DT H2'' H 1 2.189 0.003 . . . . . . A 8 DT H2'' . 34244 1 77 . 1 1 8 8 DT H3 H 1 13.572 0.002 . . . . . . A 8 DT H3 . 34244 1 78 . 1 1 8 8 DT H3' H 1 4.815 0.002 . . . . . . A 8 DT H3' . 34244 1 79 . 1 1 8 8 DT H4' H 1 4.057 0.001 . . . . . . A 8 DT H4' . 34244 1 80 . 1 1 8 8 DT H5' H 1 4.246 0.002 . . . . . . A 8 DT H5' . 34244 1 81 . 1 1 8 8 DT H5'' H 1 4.107 0.001 . . . . . . A 8 DT H5'' . 34244 1 82 . 1 1 8 8 DT H6 H 1 7.018 0.002 . . . . . . A 8 DT H6 . 34244 1 83 . 1 1 8 8 DT H71 H 1 1.446 0.002 . . . . . . A 8 DT H71 . 34244 1 84 . 1 1 8 8 DT H72 H 1 1.446 0.002 . . . . . . A 8 DT H72 . 34244 1 85 . 1 1 8 8 DT H73 H 1 1.446 0.002 . . . . . . A 8 DT H73 . 34244 1 86 . 1 1 9 9 DG H1 H 1 12.439 0.003 . . . . . . A 9 DG H1 . 34244 1 87 . 1 1 9 9 DG H1' H 1 5.255 0.001 . . . . . . A 9 DG H1' . 34244 1 88 . 1 1 9 9 DG H2' H 1 2.577 0.001 . . . . . . A 9 DG H2' . 34244 1 89 . 1 1 9 9 DG H2'' H 1 2.574 0.002 . . . . . . A 9 DG H2'' . 34244 1 90 . 1 1 9 9 DG H3' H 1 4.930 0.001 . . . . . . A 9 DG H3' . 34244 1 91 . 1 1 9 9 DG H4' H 1 4.259 0.002 . . . . . . A 9 DG H4' . 34244 1 92 . 1 1 9 9 DG H5' H 1 4.058 0.002 . . . . . . A 9 DG H5' . 34244 1 93 . 1 1 9 9 DG H5'' H 1 4.006 0.002 . . . . . . A 9 DG H5'' . 34244 1 94 . 1 1 9 9 DG H8 H 1 7.800 0.002 . . . . . . A 9 DG H8 . 34244 1 95 . 1 1 10 10 DA H1' H 1 6.145 0.002 . . . . . . A 10 DA H1' . 34244 1 96 . 1 1 10 10 DA H2 H 1 7.538 0.001 . . . . . . A 10 DA H2 . 34244 1 97 . 1 1 10 10 DA H2' H 1 2.527 0.002 . . . . . . A 10 DA H2' . 34244 1 98 . 1 1 10 10 DA H2'' H 1 2.784 0.003 . . . . . . A 10 DA H2'' . 34244 1 99 . 1 1 10 10 DA H3' H 1 4.920 0.002 . . . . . . A 10 DA H3' . 34244 1 100 . 1 1 10 10 DA H4' H 1 4.424 0.002 . . . . . . A 10 DA H4' . 34244 1 101 . 1 1 10 10 DA H5' H 1 4.258 0.002 . . . . . . A 10 DA H5' . 34244 1 102 . 1 1 10 10 DA H5'' H 1 4.177 0.003 . . . . . . A 10 DA H5'' . 34244 1 103 . 1 1 10 10 DA H8 H 1 8.141 0.002 . . . . . . A 10 DA H8 . 34244 1 104 . 1 1 10 10 DA H61 H 1 7.749 0.003 . . . . . . A 10 DA H61 . 34244 1 105 . 1 1 10 10 DA H62 H 1 6.379 0.003 . . . . . . A 10 DA H62 . 34244 1 106 . 1 1 11 11 DT H1' H 1 5.763 0.001 . . . . . . A 11 DT H1' . 34244 1 107 . 1 1 11 11 DT H2' H 1 1.800 0.001 . . . . . . A 11 DT H2' . 34244 1 108 . 1 1 11 11 DT H2'' H 1 2.241 0.002 . . . . . . A 11 DT H2'' . 34244 1 109 . 1 1 11 11 DT H3' H 1 4.820 0.002 . . . . . . A 11 DT H3' . 34244 1 110 . 1 1 11 11 DT H4' H 1 4.107 0.002 . . . . . . A 11 DT H4' . 34244 1 111 . 1 1 11 11 DT H5' H 1 4.184 0.002 . . . . . . A 11 DT H5' . 34244 1 112 . 1 1 11 11 DT H5'' H 1 4.023 0.002 . . . . . . A 11 DT H5'' . 34244 1 113 . 1 1 11 11 DT H6 H 1 6.951 0.002 . . . . . . A 11 DT H6 . 34244 1 114 . 1 1 11 11 DT H71 H 1 1.267 0.001 . . . . . . A 11 DT H71 . 34244 1 115 . 1 1 11 11 DT H72 H 1 1.267 0.001 . . . . . . A 11 DT H72 . 34244 1 116 . 1 1 11 11 DT H73 H 1 1.267 0.001 . . . . . . A 11 DT H73 . 34244 1 117 . 1 1 12 12 DA H1' H 1 6.114 0.002 . . . . . . A 12 DA H1' . 34244 1 118 . 1 1 12 12 DA H2 H 1 7.926 0.002 . . . . . . A 12 DA H2 . 34244 1 119 . 1 1 12 12 DA H2' H 1 2.744 0.001 . . . . . . A 12 DA H2' . 34244 1 120 . 1 1 12 12 DA H2'' H 1 2.775 0.003 . . . . . . A 12 DA H2'' . 34244 1 121 . 1 1 12 12 DA H3' H 1 5.019 0.002 . . . . . . A 12 DA H3' . 34244 1 122 . 1 1 12 12 DA H4' H 1 4.416 0.002 . . . . . . A 12 DA H4' . 34244 1 123 . 1 1 12 12 DA H5' H 1 4.113 0.003 . . . . . . A 12 DA H5' . 34244 1 124 . 1 1 12 12 DA H5'' H 1 4.022 0.002 . . . . . . A 12 DA H5'' . 34244 1 125 . 1 1 12 12 DA H8 H 1 8.333 0.002 . . . . . . A 12 DA H8 . 34244 1 126 . 1 1 12 12 DA H61 H 1 7.616 0.003 . . . . . . A 12 DA H61 . 34244 1 127 . 1 1 12 12 DA H62 H 1 7.008 0.002 . . . . . . A 12 DA H62 . 34244 1 128 . 1 1 13 13 DC H1' H 1 5.693 0.002 . . . . . . A 13 DC H1' . 34244 1 129 . 1 1 13 13 DC H2' H 1 1.882 0.001 . . . . . . A 13 DC H2' . 34244 1 130 . 1 1 13 13 DC H2'' H 1 2.310 0.001 . . . . . . A 13 DC H2'' . 34244 1 131 . 1 1 13 13 DC H3' H 1 4.769 0.003 . . . . . . A 13 DC H3' . 34244 1 132 . 1 1 13 13 DC H4' H 1 4.157 0.001 . . . . . . A 13 DC H4' . 34244 1 133 . 1 1 13 13 DC H5 H 1 5.401 0.001 . . . . . . A 13 DC H5 . 34244 1 134 . 1 1 13 13 DC H5' H 1 4.244 0.002 . . . . . . A 13 DC H5' . 34244 1 135 . 1 1 13 13 DC H5'' H 1 4.078 0.003 . . . . . . A 13 DC H5'' . 34244 1 136 . 1 1 13 13 DC H6 H 1 7.307 0.001 . . . . . . A 13 DC H6 . 34244 1 137 . 1 1 13 13 DC H41 H 1 8.258 0.003 . . . . . . A 13 DC H41 . 34244 1 138 . 1 1 13 13 DC H42 H 1 6.815 0.003 . . . . . . A 13 DC H42 . 34244 1 139 . 1 1 14 14 DG H1 H 1 13.119 0.001 . . . . . . A 14 DG H1 . 34244 1 140 . 1 1 14 14 DG H1' H 1 6.164 0.001 . . . . . . A 14 DG H1' . 34244 1 141 . 1 1 14 14 DG H2' H 1 2.594 0.002 . . . . . . A 14 DG H2' . 34244 1 142 . 1 1 14 14 DG H2'' H 1 2.375 0.003 . . . . . . A 14 DG H2'' . 34244 1 143 . 1 1 14 14 DG H3' H 1 4.664 0.001 . . . . . . A 14 DG H3' . 34244 1 144 . 1 1 14 14 DG H4' H 1 4.178 0.001 . . . . . . A 14 DG H4' . 34244 1 145 . 1 1 14 14 DG H5' H 1 4.078 0.002 . . . . . . A 14 DG H5' . 34244 1 146 . 1 1 14 14 DG H8 H 1 7.902 0.001 . . . . . . A 14 DG H8 . 34244 1 147 . 2 1 1 1 DC H1' H 1 5.816 0.001 . . . . . . B 15 DC H1' . 34244 1 148 . 2 1 1 1 DC H2' H 1 2.064 0.001 . . . . . . B 15 DC H2' . 34244 1 149 . 2 1 1 1 DC H2'' H 1 2.473 0.001 . . . . . . B 15 DC H2'' . 34244 1 150 . 2 1 1 1 DC H3' H 1 4.723 0.002 . . . . . . B 15 DC H3' . 34244 1 151 . 2 1 1 1 DC H4' H 1 4.096 0.001 . . . . . . B 15 DC H4' . 34244 1 152 . 2 1 1 1 DC H5 H 1 5.935 0.001 . . . . . . B 15 DC H5 . 34244 1 153 . 2 1 1 1 DC H5' H 1 3.747 0.001 . . . . . . B 15 DC H5' . 34244 1 154 . 2 1 1 1 DC H6 H 1 7.679 0.001 . . . . . . B 15 DC H6 . 34244 1 155 . 2 1 1 1 DC H41 H 1 7.118 0.003 . . . . . . B 15 DC H41 . 34244 1 156 . 2 1 1 1 DC H42 H 1 8.156 0.003 . . . . . . B 15 DC H42 . 34244 1 157 . 2 1 2 2 DG H1 H 1 12.946 0.003 . . . . . . B 16 DG H1 . 34244 1 158 . 2 1 2 2 DG H1' H 1 6.059 0.002 . . . . . . B 16 DG H1' . 34244 1 159 . 2 1 2 2 DG H2' H 1 2.704 0.002 . . . . . . B 16 DG H2' . 34244 1 160 . 2 1 2 2 DG H2'' H 1 2.841 0.002 . . . . . . B 16 DG H2'' . 34244 1 161 . 2 1 2 2 DG H3' H 1 4.994 0.001 . . . . . . B 16 DG H3' . 34244 1 162 . 2 1 2 2 DG H4' H 1 4.399 0.001 . . . . . . B 16 DG H4' . 34244 1 163 . 2 1 2 2 DG H5' H 1 4.052 0.002 . . . . . . B 16 DG H5' . 34244 1 164 . 2 1 2 2 DG H5'' H 1 4.132 0.001 . . . . . . B 16 DG H5'' . 34244 1 165 . 2 1 2 2 DG H8 H 1 8.000 0.001 . . . . . . B 16 DG H8 . 34244 1 166 . 2 1 3 3 DT H1' H 1 6.006 0.002 . . . . . . B 17 DT H1' . 34244 1 167 . 2 1 3 3 DT H2' H 1 2.230 0.002 . . . . . . B 17 DT H2' . 34244 1 168 . 2 1 3 3 DT H2'' H 1 2.519 0.002 . . . . . . B 17 DT H2'' . 34244 1 169 . 2 1 3 3 DT H3 H 1 13.748 0.003 . . . . . . B 17 DT H3 . 34244 1 170 . 2 1 3 3 DT H3' H 1 4.874 0.001 . . . . . . B 17 DT H3' . 34244 1 171 . 2 1 3 3 DT H4' H 1 4.261 0.002 . . . . . . B 17 DT H4' . 34244 1 172 . 2 1 3 3 DT H5' H 1 4.405 0.001 . . . . . . B 17 DT H5' . 34244 1 173 . 2 1 3 3 DT H6 H 1 7.292 0.001 . . . . . . B 17 DT H6 . 34244 1 174 . 2 1 3 3 DT H71 H 1 1.477 0.002 . . . . . . B 17 DT H71 . 34244 1 175 . 2 1 3 3 DT H72 H 1 1.477 0.002 . . . . . . B 17 DT H72 . 34244 1 176 . 2 1 3 3 DT H73 H 1 1.477 0.002 . . . . . . B 17 DT H73 . 34244 1 177 . 2 1 4 4 DC H1' H 1 6.016 0.001 . . . . . . B 18 DC H1' . 34244 1 178 . 2 1 4 4 DC H2' H 1 1.833 0.002 . . . . . . B 18 DC H2' . 34244 1 179 . 2 1 4 4 DC H2'' H 1 2.425 0.002 . . . . . . B 18 DC H2'' . 34244 1 180 . 2 1 4 4 DC H3' H 1 4.700 0.002 . . . . . . B 18 DC H3' . 34244 1 181 . 2 1 4 4 DC H4' H 1 4.139 0.002 . . . . . . B 18 DC H4' . 34244 1 182 . 2 1 4 4 DC H5 H 1 5.555 0.001 . . . . . . B 18 DC H5 . 34244 1 183 . 2 1 4 4 DC H5' H 1 4.333 0.001 . . . . . . B 18 DC H5' . 34244 1 184 . 2 1 4 4 DC H5'' H 1 4.241 0.002 . . . . . . B 18 DC H5'' . 34244 1 185 . 2 1 4 4 DC H6 H 1 7.525 0.001 . . . . . . B 18 DC H6 . 34244 1 186 . 2 1 4 4 DC H41 H 1 6.999 0.002 . . . . . . B 18 DC H41 . 34244 1 187 . 2 1 4 4 DC H42 H 1 7.659 0.003 . . . . . . B 18 DC H42 . 34244 1 188 . 2 1 5 5 DT H1' H 1 6.170 0.002 . . . . . . B 19 DT H1' . 34244 1 189 . 2 1 5 5 DT H2' H 1 2.499 0.003 . . . . . . B 19 DT H2' . 34244 1 190 . 2 1 5 5 DT H2'' H 1 2.574 0.003 . . . . . . B 19 DT H2'' . 34244 1 191 . 2 1 5 5 DT H3 H 1 13.472 0.003 . . . . . . B 19 DT H3 . 34244 1 192 . 2 1 5 5 DT H3' H 1 4.945 0.002 . . . . . . B 19 DT H3' . 34244 1 193 . 2 1 5 5 DT H4' H 1 4.339 0.001 . . . . . . B 19 DT H4' . 34244 1 194 . 2 1 5 5 DT H5' H 1 4.117 0.003 . . . . . . B 19 DT H5' . 34244 1 195 . 2 1 5 5 DT H5'' H 1 4.069 0.002 . . . . . . B 19 DT H5'' . 34244 1 196 . 2 1 5 5 DT H6 H 1 7.591 0.002 . . . . . . B 19 DT H6 . 34244 1 197 . 2 1 5 5 DT H71 H 1 1.749 0.001 . . . . . . B 19 DT H71 . 34244 1 198 . 2 1 5 5 DT H72 H 1 1.749 0.001 . . . . . . B 19 DT H72 . 34244 1 199 . 2 1 5 5 DT H73 H 1 1.749 0.001 . . . . . . B 19 DT H73 . 34244 1 200 . 2 1 6 6 DC H1' H 1 5.648 0.002 . . . . . . B 20 DC H1' . 34244 1 201 . 2 1 6 6 DC H2' H 1 2.033 0.001 . . . . . . B 20 DC H2' . 34244 1 202 . 2 1 6 6 DC H2'' H 1 2.405 0.001 . . . . . . B 20 DC H2'' . 34244 1 203 . 2 1 6 6 DC H3' H 1 4.878 0.001 . . . . . . B 20 DC H3' . 34244 1 204 . 2 1 6 6 DC H4' H 1 4.151 0.001 . . . . . . B 20 DC H4' . 34244 1 205 . 2 1 6 6 DC H5 H 1 5.799 0.002 . . . . . . B 20 DC H5 . 34244 1 206 . 2 1 6 6 DC H6 H 1 7.511 0.002 . . . . . . B 20 DC H6 . 34244 1 207 . 2 1 6 6 DC H41 H 1 8.462 0.002 . . . . . . B 20 DC H41 . 34244 1 208 . 2 1 6 6 DC H42 H 1 7.020 0.003 . . . . . . B 20 DC H42 . 34244 1 209 . 2 1 7 7 DA H1' H 1 6.213 0.001 . . . . . . B 21 DA H1' . 34244 1 210 . 2 1 7 7 DA H2 H 1 7.641 0.002 . . . . . . B 21 DA H2 . 34244 1 211 . 2 1 7 7 DA H2' H 1 2.711 0.003 . . . . . . B 21 DA H2' . 34244 1 212 . 2 1 7 7 DA H2'' H 1 2.908 0.002 . . . . . . B 21 DA H2'' . 34244 1 213 . 2 1 7 7 DA H3' H 1 5.024 0.001 . . . . . . B 21 DA H3' . 34244 1 214 . 2 1 7 7 DA H4' H 1 4.419 0.002 . . . . . . B 21 DA H4' . 34244 1 215 . 2 1 7 7 DA H5' H 1 4.156 0.003 . . . . . . B 21 DA H5' . 34244 1 216 . 2 1 7 7 DA H5'' H 1 4.078 0.002 . . . . . . B 21 DA H5'' . 34244 1 217 . 2 1 7 7 DA H8 H 1 8.362 0.001 . . . . . . B 21 DA H8 . 34244 1 218 . 2 1 7 7 DA H61 H 1 7.802 0.003 . . . . . . B 21 DA H61 . 34244 1 219 . 2 1 7 7 DA H62 H 1 6.442 0.002 . . . . . . B 21 DA H62 . 34244 1 220 . 2 1 8 8 DT H1' H 1 5.652 0.001 . . . . . . B 22 DT H1' . 34244 1 221 . 2 1 8 8 DT H2' H 1 1.747 0.001 . . . . . . B 22 DT H2' . 34244 1 222 . 2 1 8 8 DT H2'' H 1 2.189 0.003 . . . . . . B 22 DT H2'' . 34244 1 223 . 2 1 8 8 DT H3 H 1 13.572 0.002 . . . . . . B 22 DT H3 . 34244 1 224 . 2 1 8 8 DT H3' H 1 4.815 0.002 . . . . . . B 22 DT H3' . 34244 1 225 . 2 1 8 8 DT H4' H 1 4.057 0.001 . . . . . . B 22 DT H4' . 34244 1 226 . 2 1 8 8 DT H5' H 1 4.246 0.002 . . . . . . B 22 DT H5' . 34244 1 227 . 2 1 8 8 DT H5'' H 1 4.107 0.001 . . . . . . B 22 DT H5'' . 34244 1 228 . 2 1 8 8 DT H6 H 1 7.018 0.002 . . . . . . B 22 DT H6 . 34244 1 229 . 2 1 8 8 DT H71 H 1 1.446 0.002 . . . . . . B 22 DT H71 . 34244 1 230 . 2 1 8 8 DT H72 H 1 1.446 0.002 . . . . . . B 22 DT H72 . 34244 1 231 . 2 1 8 8 DT H73 H 1 1.446 0.002 . . . . . . B 22 DT H73 . 34244 1 232 . 2 1 9 9 DG H1 H 1 12.439 0.003 . . . . . . B 23 DG H1 . 34244 1 233 . 2 1 9 9 DG H1' H 1 5.255 0.001 . . . . . . B 23 DG H1' . 34244 1 234 . 2 1 9 9 DG H2' H 1 2.577 0.001 . . . . . . B 23 DG H2' . 34244 1 235 . 2 1 9 9 DG H2'' H 1 2.574 0.002 . . . . . . B 23 DG H2'' . 34244 1 236 . 2 1 9 9 DG H3' H 1 4.930 0.001 . . . . . . B 23 DG H3' . 34244 1 237 . 2 1 9 9 DG H4' H 1 4.259 0.002 . . . . . . B 23 DG H4' . 34244 1 238 . 2 1 9 9 DG H5' H 1 4.058 0.002 . . . . . . B 23 DG H5' . 34244 1 239 . 2 1 9 9 DG H5'' H 1 4.006 0.002 . . . . . . B 23 DG H5'' . 34244 1 240 . 2 1 9 9 DG H8 H 1 7.800 0.002 . . . . . . B 23 DG H8 . 34244 1 241 . 2 1 10 10 DA H1' H 1 6.145 0.002 . . . . . . B 24 DA H1' . 34244 1 242 . 2 1 10 10 DA H2 H 1 7.538 0.001 . . . . . . B 24 DA H2 . 34244 1 243 . 2 1 10 10 DA H2' H 1 2.527 0.002 . . . . . . B 24 DA H2' . 34244 1 244 . 2 1 10 10 DA H2'' H 1 2.784 0.003 . . . . . . B 24 DA H2'' . 34244 1 245 . 2 1 10 10 DA H3' H 1 4.920 0.002 . . . . . . B 24 DA H3' . 34244 1 246 . 2 1 10 10 DA H4' H 1 4.424 0.002 . . . . . . B 24 DA H4' . 34244 1 247 . 2 1 10 10 DA H5' H 1 4.258 0.002 . . . . . . B 24 DA H5' . 34244 1 248 . 2 1 10 10 DA H5'' H 1 4.177 0.003 . . . . . . B 24 DA H5'' . 34244 1 249 . 2 1 10 10 DA H8 H 1 8.141 0.002 . . . . . . B 24 DA H8 . 34244 1 250 . 2 1 10 10 DA H61 H 1 7.749 0.003 . . . . . . B 24 DA H61 . 34244 1 251 . 2 1 10 10 DA H62 H 1 6.379 0.003 . . . . . . B 24 DA H62 . 34244 1 252 . 2 1 11 11 DT H1' H 1 5.763 0.001 . . . . . . B 25 DT H1' . 34244 1 253 . 2 1 11 11 DT H2' H 1 1.800 0.001 . . . . . . B 25 DT H2' . 34244 1 254 . 2 1 11 11 DT H2'' H 1 2.241 0.002 . . . . . . B 25 DT H2'' . 34244 1 255 . 2 1 11 11 DT H3' H 1 4.820 0.002 . . . . . . B 25 DT H3' . 34244 1 256 . 2 1 11 11 DT H4' H 1 4.107 0.002 . . . . . . B 25 DT H4' . 34244 1 257 . 2 1 11 11 DT H5' H 1 4.184 0.002 . . . . . . B 25 DT H5' . 34244 1 258 . 2 1 11 11 DT H5'' H 1 4.023 0.002 . . . . . . B 25 DT H5'' . 34244 1 259 . 2 1 11 11 DT H6 H 1 6.951 0.002 . . . . . . B 25 DT H6 . 34244 1 260 . 2 1 11 11 DT H71 H 1 1.267 0.001 . . . . . . B 25 DT H71 . 34244 1 261 . 2 1 11 11 DT H72 H 1 1.267 0.001 . . . . . . B 25 DT H72 . 34244 1 262 . 2 1 11 11 DT H73 H 1 1.267 0.001 . . . . . . B 25 DT H73 . 34244 1 263 . 2 1 12 12 DA H1' H 1 6.114 0.002 . . . . . . B 26 DA H1' . 34244 1 264 . 2 1 12 12 DA H2 H 1 7.926 0.002 . . . . . . B 26 DA H2 . 34244 1 265 . 2 1 12 12 DA H2' H 1 2.744 0.001 . . . . . . B 26 DA H2' . 34244 1 266 . 2 1 12 12 DA H2'' H 1 2.775 0.003 . . . . . . B 26 DA H2'' . 34244 1 267 . 2 1 12 12 DA H3' H 1 5.019 0.002 . . . . . . B 26 DA H3' . 34244 1 268 . 2 1 12 12 DA H4' H 1 4.416 0.002 . . . . . . B 26 DA H4' . 34244 1 269 . 2 1 12 12 DA H5' H 1 4.113 0.003 . . . . . . B 26 DA H5' . 34244 1 270 . 2 1 12 12 DA H5'' H 1 4.022 0.002 . . . . . . B 26 DA H5'' . 34244 1 271 . 2 1 12 12 DA H8 H 1 8.333 0.002 . . . . . . B 26 DA H8 . 34244 1 272 . 2 1 12 12 DA H61 H 1 7.616 0.003 . . . . . . B 26 DA H61 . 34244 1 273 . 2 1 12 12 DA H62 H 1 7.008 0.002 . . . . . . B 26 DA H62 . 34244 1 274 . 2 1 13 13 DC H1' H 1 5.693 0.002 . . . . . . B 27 DC H1' . 34244 1 275 . 2 1 13 13 DC H2' H 1 1.882 0.001 . . . . . . B 27 DC H2' . 34244 1 276 . 2 1 13 13 DC H2'' H 1 2.310 0.001 . . . . . . B 27 DC H2'' . 34244 1 277 . 2 1 13 13 DC H3' H 1 4.769 0.003 . . . . . . B 27 DC H3' . 34244 1 278 . 2 1 13 13 DC H4' H 1 4.157 0.001 . . . . . . B 27 DC H4' . 34244 1 279 . 2 1 13 13 DC H5 H 1 5.401 0.001 . . . . . . B 27 DC H5 . 34244 1 280 . 2 1 13 13 DC H5' H 1 4.244 0.002 . . . . . . B 27 DC H5' . 34244 1 281 . 2 1 13 13 DC H5'' H 1 4.078 0.003 . . . . . . B 27 DC H5'' . 34244 1 282 . 2 1 13 13 DC H6 H 1 7.307 0.001 . . . . . . B 27 DC H6 . 34244 1 283 . 2 1 13 13 DC H41 H 1 8.258 0.003 . . . . . . B 27 DC H41 . 34244 1 284 . 2 1 13 13 DC H42 H 1 6.815 0.003 . . . . . . B 27 DC H42 . 34244 1 285 . 2 1 14 14 DG H1 H 1 13.119 0.001 . . . . . . B 28 DG H1 . 34244 1 286 . 2 1 14 14 DG H1' H 1 6.164 0.001 . . . . . . B 28 DG H1' . 34244 1 287 . 2 1 14 14 DG H2' H 1 2.594 0.002 . . . . . . B 28 DG H2' . 34244 1 288 . 2 1 14 14 DG H2'' H 1 2.375 0.003 . . . . . . B 28 DG H2'' . 34244 1 289 . 2 1 14 14 DG H3' H 1 4.664 0.001 . . . . . . B 28 DG H3' . 34244 1 290 . 2 1 14 14 DG H4' H 1 4.178 0.001 . . . . . . B 28 DG H4' . 34244 1 291 . 2 1 14 14 DG H5' H 1 4.078 0.002 . . . . . . B 28 DG H5' . 34244 1 292 . 2 1 14 14 DG H8 H 1 7.902 0.001 . . . . . . B 28 DG H8 . 34244 1 stop_ save_