data_30053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30053 _Entry.Title ; Solution NMR structure of PT-free dsDNA from Streptomyces lividans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-30 _Entry.Accession_date 2016-03-30 _Entry.Last_release_date 2016-06-20 _Entry.Original_release_date 2016-06-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Wenxian Lan W. . . . 30053 2 Chunyang Cao C. . . . 30053 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'dsDNA PT-free NMR Streptomyces lividans' . 30053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 30053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 156 30053 '31P chemical shifts' 16 30053 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-11-15 2016-03-30 update BMRB 'update entry citation' 30053 1 . . 2016-06-20 2016-03-30 original author 'original release' 30053 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30052 '[Rp, Rp]-PT dsDNA' 30053 BMRB 30054 '[Sp, Sp]-PT dsDNA' 30053 PDB 5J3G 'BMRB Entry Tracking System' 30053 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30053 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep25737 _Citation.PubMed_ID 27169778 _Citation.Full_citation . _Citation.Title ; Structural investigation into physiological DNA phosphorothioate modification ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 25737 _Citation.Page_last 25737 _Citation.Year 2016 _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 Wenxian Lan W. . . . 30053 1 2 Zhongpei Hu Z. . . . 30053 1 3 Chunyang Cao C. . . . 30053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30053 _Assembly.ID 1 _Assembly.Name "DNA (5'-D(*CP*GP*GP*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*GP*CP*CP*G)-3')" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30053 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name "DNA (5'-D(*CP*GP*GP*CP*CP*GP*CP*CP*GP*A)-3')" _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGGCCGCCGA ; _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3030.981 _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 DC . 30053 1 2 2 DG . 30053 1 3 3 DG . 30053 1 4 4 DC . 30053 1 5 5 DC . 30053 1 6 6 DG . 30053 1 7 7 DC . 30053 1 8 8 DC . 30053 1 9 9 DG . 30053 1 10 10 DA . 30053 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 30053 1 . DG 2 2 30053 1 . DG 3 3 30053 1 . DC 4 4 30053 1 . DC 5 5 30053 1 . DG 6 6 30053 1 . DC 7 7 30053 1 . DC 8 8 30053 1 . DG 9 9 30053 1 . DA 10 10 30053 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30053 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name "DNA (5'-D(*TP*CP*GP*GP*CP*GP*GP*CP*CP*G)-3')" _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TCGGCGGCCG ; _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3061.992 _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 11 DT . 30053 2 2 12 DC . 30053 2 3 13 DG . 30053 2 4 14 DG . 30053 2 5 15 DC . 30053 2 6 16 DG . 30053 2 7 17 DG . 30053 2 8 18 DC . 30053 2 9 19 DC . 30053 2 10 20 DG . 30053 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 . DT 1 1 30053 2 . DC 2 2 30053 2 . DG 3 3 30053 2 . DG 4 4 30053 2 . DC 5 5 30053 2 . DG 6 6 30053 2 . DG 7 7 30053 2 . DC 8 8 30053 2 . DC 9 9 30053 2 . DG 10 10 30053 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 30053 _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 . 1916 organism . 'Streptomyces lividans' 'high GC Gram+' . . Bacteria . Streptomyces lividans . . . . . . . . . . . . . 30053 1 2 2 $entity_2 . 1916 organism . 'Streptomyces lividans' 'high GC Gram+' . . Bacteria . Streptomyces lividans . . . . . . . . . . . . . 30053 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 30053 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Streptomyces lividans' . . 1916 Streptomyces lividans . . . . . . . . . . 30053 1 2 2 $entity_2 . 'recombinant technology' 'Streptomyces lividans' . . 1916 Streptomyces lividans . . . . . . . . . . 30053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30053 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM PT-free dsDNA, 100 mM NaCl, 40 mM NaPO4, 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 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30053 1 2 NaPO4 'natural abundance' . . . . . . 40 . . mM . . . . 30053 1 3 'PT-free dsDNA' none . . 1 $entity_1 . . 1.0 . . mM . . . . 30053 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30053 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30053 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30053 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 360 0.1 mM 30053 1 pH 7.0 0.002 pH 30053 1 pressure 1.0 0.001 atm 30053 1 temperature 298 0.1 K 30053 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 30053 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 360 0.1 mM 30053 2 pH 7.0 0.01 pH 30053 2 pressure 1 0.0001 atm 30053 2 temperature 298 0.1 K 30053 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30053 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30053 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30053 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30053 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30053 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30053 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30053 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30053 3 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 30053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _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 30053 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30053 _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 NMR_spectrometer_1 Agilent DD2 . 600 . . . 30053 1 2 NMR_spectrometer_2 Agilent DD2 . 500 . . . 30053 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 30053 _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 NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30053 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30053 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30053 1 4 '2D NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30053 1 5 '2D 1H-31P hetcor' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30053 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 30053 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30053 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30053 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 30053 1 2 '2D 1H-1H TOCSY' . . . 30053 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30053 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 5.769 . . . . . . A 1 DC H1' . 30053 1 2 . 1 1 1 1 DC H2' H 1 1.871 . . . . . . A 1 DC H2' . 30053 1 3 . 1 1 1 1 DC H2'' H 1 2.365 . . . . . . A 1 DC H2'' . 30053 1 4 . 1 1 1 1 DC H3' H 1 4.707 . . . . . . A 1 DC H3' . 30053 1 5 . 1 1 1 1 DC H4' H 1 4.072 . . . . . . A 1 DC H4' . 30053 1 6 . 1 1 1 1 DC H5 H 1 5.918 . . . . . . A 1 DC H5 . 30053 1 7 . 1 1 1 1 DC H5'' H 1 3.72 . . . . . . A 1 DC H5'' . 30053 1 8 . 1 1 1 1 DC H6 H 1 7.608 . . . . . . A 1 DC H6 . 30053 1 9 . 1 1 2 2 DG H1' H 1 5.569 . . . . . . A 2 DG H1' . 30053 1 10 . 1 1 2 2 DG H2' H 1 2.737 . . . . . . A 2 DG H2' . 30053 1 11 . 1 1 2 2 DG H2'' H 1 2.773 . . . . . . A 2 DG H2'' . 30053 1 12 . 1 1 2 2 DG H3' H 1 5.004 . . . . . . A 2 DG H3' . 30053 1 13 . 1 1 2 2 DG H4' H 1 4.333 . . . . . . A 2 DG H4' . 30053 1 14 . 1 1 2 2 DG H8 H 1 7.936 . . . . . . A 2 DG H8 . 30053 1 15 . 1 1 2 2 DG P P 31 3.734 . . . . . . A 2 DG P . 30053 1 16 . 1 1 3 3 DG H1' H 1 5.963 . . . . . . A 3 DG H1' . 30053 1 17 . 1 1 3 3 DG H2' H 1 2.63 . . . . . . A 3 DG H2' . 30053 1 18 . 1 1 3 3 DG H2'' H 1 2.736 . . . . . . A 3 DG H2'' . 30053 1 19 . 1 1 3 3 DG H3' H 1 5.023 . . . . . . A 3 DG H3' . 30053 1 20 . 1 1 3 3 DG H4' H 1 4.448 . . . . . . A 3 DG H4' . 30053 1 21 . 1 1 3 3 DG H5' H 1 4.179 . . . . . . A 3 DG H5' . 30053 1 22 . 1 1 3 3 DG H5'' H 1 4.21 . . . . . . A 3 DG H5'' . 30053 1 23 . 1 1 3 3 DG H8 H 1 7.825 . . . . . . A 3 DG H8 . 30053 1 24 . 1 1 3 3 DG P P 31 3.843 . . . . . . A 3 DG P . 30053 1 25 . 1 1 4 4 DC H1' H 1 5.976 . . . . . . A 4 DC H1' . 30053 1 26 . 1 1 4 4 DC H2' H 1 2.086 . . . . . . A 4 DC H2' . 30053 1 27 . 1 1 4 4 DC H2'' H 1 2.477 . . . . . . A 4 DC H2'' . 30053 1 28 . 1 1 4 4 DC H3' H 1 4.861 . . . . . . A 4 DC H3' . 30053 1 29 . 1 1 4 4 DC H4' H 1 4.239 . . . . . . A 4 DC H4' . 30053 1 30 . 1 1 4 4 DC H5 H 1 5.311 . . . . . . A 4 DC H5 . 30053 1 31 . 1 1 4 4 DC H6 H 1 7.365 . . . . . . A 4 DC H6 . 30053 1 32 . 1 1 4 4 DC H41 H 1 6.354 . . . . . . A 4 DC H41 . 30053 1 33 . 1 1 4 4 DC H42 H 1 8.159 . . . . . . A 4 DC H42 . 30053 1 34 . 1 1 4 4 DC P P 31 3.586 . . . . . . A 4 DC P . 30053 1 35 . 1 1 5 5 DC H1' H 1 5.582 . . . . . . A 5 DC H1' . 30053 1 36 . 1 1 5 5 DC H2' H 1 2.038 . . . . . . A 5 DC H2' . 30053 1 37 . 1 1 5 5 DC H2'' H 1 2.389 . . . . . . A 5 DC H2'' . 30053 1 38 . 1 1 5 5 DC H3' H 1 4.831 . . . . . . A 5 DC H3' . 30053 1 39 . 1 1 5 5 DC H4' H 1 4.11 . . . . . . A 5 DC H4' . 30053 1 40 . 1 1 5 5 DC H5 H 1 5.559 . . . . . . A 5 DC H5 . 30053 1 41 . 1 1 5 5 DC H6 H 1 7.419 . . . . . . A 5 DC H6 . 30053 1 42 . 1 1 5 5 DC H41 H 1 6.745 . . . . . . A 5 DC H41 . 30053 1 43 . 1 1 5 5 DC H42 H 1 8.539 . . . . . . A 5 DC H42 . 30053 1 44 . 1 1 5 5 DC P P 31 3.609 . . . . . . A 5 DC P . 30053 1 45 . 1 1 6 6 DG H1' H 1 5.914 . . . . . . A 6 DG H1' . 30053 1 46 . 1 1 6 6 DG H2' H 1 2.578 . . . . . . A 6 DG H2' . 30053 1 47 . 1 1 6 6 DG H2'' H 1 2.737 . . . . . . A 6 DG H2'' . 30053 1 48 . 1 1 6 6 DG H3' H 1 5.004 . . . . . . A 6 DG H3' . 30053 1 49 . 1 1 6 6 DG H4' H 1 4.349 . . . . . . A 6 DG H4' . 30053 1 50 . 1 1 6 6 DG H8 H 1 7.921 . . . . . . A 6 DG H8 . 30053 1 51 . 1 1 6 6 DG P P 31 3.634 . . . . . . A 6 DG P . 30053 1 52 . 1 1 7 7 DC H2' H 1 2.026 . . . . . . A 7 DC H2' . 30053 1 53 . 1 1 7 7 DC H2'' H 1 2.458 . . . . . . A 7 DC H2'' . 30053 1 54 . 1 1 7 7 DC H3' H 1 4.832 . . . . . . A 7 DC H3' . 30053 1 55 . 1 1 7 7 DC H4' H 1 4.198 . . . . . . A 7 DC H4' . 30053 1 56 . 1 1 7 7 DC H5 H 1 5.372 . . . . . . A 7 DC H5 . 30053 1 57 . 1 1 7 7 DC H6 H 1 7.368 . . . . . . A 7 DC H6 . 30053 1 58 . 1 1 7 7 DC H41 H 1 6.37 . . . . . . A 7 DC H41 . 30053 1 59 . 1 1 7 7 DC P P 31 3.621 . . . . . . A 7 DC P . 30053 1 60 . 1 1 8 8 DC H1' H 1 5.49 . . . . . . A 8 DC H1' . 30053 1 61 . 1 1 8 8 DC H2' H 1 1.837 . . . . . . A 8 DC H2' . 30053 1 62 . 1 1 8 8 DC H2'' H 1 2.211 . . . . . . A 8 DC H2'' . 30053 1 63 . 1 1 8 8 DC H3' H 1 4.806 . . . . . . A 8 DC H3' . 30053 1 64 . 1 1 8 8 DC H4' H 1 4.044 . . . . . . A 8 DC H4' . 30053 1 65 . 1 1 8 8 DC H5 H 1 5.634 . . . . . . A 8 DC H5 . 30053 1 66 . 1 1 8 8 DC H5'' H 1 3.952 . . . . . . A 8 DC H5'' . 30053 1 67 . 1 1 8 8 DC H6 H 1 7.395 . . . . . . A 8 DC H6 . 30053 1 68 . 1 1 8 8 DC H41 H 1 6.892 . . . . . . A 8 DC H41 . 30053 1 69 . 1 1 8 8 DC H42 H 1 8.68 . . . . . . A 8 DC H42 . 30053 1 70 . 1 1 8 8 DC P P 31 3.623 . . . . . . A 8 DC P . 30053 1 71 . 1 1 9 9 DG H1' H 1 5.702 . . . . . . A 9 DG H1' . 30053 1 72 . 1 1 9 9 DG H2' H 1 2.601 . . . . . . A 9 DG H2' . 30053 1 73 . 1 1 9 9 DG H2'' H 1 2.655 . . . . . . A 9 DG H2'' . 30053 1 74 . 1 1 9 9 DG H3' H 1 4.967 . . . . . . A 9 DG H3' . 30053 1 75 . 1 1 9 9 DG H4' H 1 4.288 . . . . . . A 9 DG H4' . 30053 1 76 . 1 1 9 9 DG H5' H 1 3.948 . . . . . . A 9 DG H5' . 30053 1 77 . 1 1 9 9 DG H5'' H 1 4.044 . . . . . . A 9 DG H5'' . 30053 1 78 . 1 1 9 9 DG H8 H 1 7.848 . . . . . . A 9 DG H8 . 30053 1 79 . 1 1 9 9 DG P P 31 3.859 . . . . . . A 9 DG P . 30053 1 80 . 1 1 10 10 DA H1' H 1 6.494 . . . . . . A 10 DA H1' . 30053 1 81 . 1 1 10 10 DA H2 H 1 6.342 . . . . . . A 10 DA H2 . 30053 1 82 . 1 1 10 10 DA H2' H 1 2.55 . . . . . . A 10 DA H2' . 30053 1 83 . 1 1 10 10 DA H2'' H 1 2.452 . . . . . . A 10 DA H2'' . 30053 1 84 . 1 1 10 10 DA H3' H 1 4.709 . . . . . . A 10 DA H3' . 30053 1 85 . 1 1 10 10 DA H4' H 1 4.231 . . . . . . A 10 DA H4' . 30053 1 86 . 1 1 10 10 DA H8 H 1 8.193 . . . . . . A 10 DA H8 . 30053 1 87 . 1 1 10 10 DA P P 31 3.761 . . . . . . A 10 DA P . 30053 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30053 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 30053 2 2 '2D 1H-1H TOCSY' . . . 30053 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30053 2 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 . 2 2 1 1 DT H1' H 1 6.093 . . . . . . B 11 DT H1' . 30053 2 2 . 2 2 1 1 DT H2' H 1 2.123 . . . . . . B 11 DT H2' . 30053 2 3 . 2 2 1 1 DT H2'' H 1 2.495 . . . . . . B 11 DT H2'' . 30053 2 4 . 2 2 1 1 DT H3' H 1 4.721 . . . . . . B 11 DT H3' . 30053 2 5 . 2 2 1 1 DT H4' H 1 4.135 . . . . . . B 11 DT H4' . 30053 2 6 . 2 2 1 1 DT H5'' H 1 3.724 . . . . . . B 11 DT H5'' . 30053 2 7 . 2 2 1 1 DT H6 H 1 7.519 . . . . . . B 11 DT H6 . 30053 2 8 . 2 2 2 2 DC H1' H 1 5.609 . . . . . . B 12 DC H1' . 30053 2 9 . 2 2 2 2 DC H2' H 1 2.147 . . . . . . B 12 DC H2' . 30053 2 10 . 2 2 2 2 DC H2'' H 1 2.419 . . . . . . B 12 DC H2'' . 30053 2 11 . 2 2 2 2 DC H3' H 1 4.868 . . . . . . B 12 DC H3' . 30053 2 12 . 2 2 2 2 DC H4' H 1 4.164 . . . . . . B 12 DC H4' . 30053 2 13 . 2 2 2 2 DC H5 H 1 5.838 . . . . . . B 12 DC H5 . 30053 2 14 . 2 2 2 2 DC H6 H 1 7.575 . . . . . . B 12 DC H6 . 30053 2 15 . 2 2 2 2 DC H41 H 1 7.033 . . . . . . B 12 DC H41 . 30053 2 16 . 2 2 2 2 DC H42 H 1 7.837 . . . . . . B 12 DC H42 . 30053 2 17 . 2 2 2 2 DC P P 31 3.602 . . . . . . B 12 DC P . 30053 2 18 . 2 2 3 3 DG H1' H 1 5.606 . . . . . . B 13 DG H1' . 30053 2 19 . 2 2 3 3 DG H2' H 1 2.735 . . . . . . B 13 DG H2' . 30053 2 20 . 2 2 3 3 DG H2'' H 1 2.772 . . . . . . B 13 DG H2'' . 30053 2 21 . 2 2 3 3 DG H3' H 1 5.004 . . . . . . B 13 DG H3' . 30053 2 22 . 2 2 3 3 DG H4' H 1 4.365 . . . . . . B 13 DG H4' . 30053 2 23 . 2 2 3 3 DG H5' H 1 4.07 . . . . . . B 13 DG H5' . 30053 2 24 . 2 2 3 3 DG H5'' H 1 4.043 . . . . . . B 13 DG H5'' . 30053 2 25 . 2 2 3 3 DG H8 H 1 7.91 . . . . . . B 13 DG H8 . 30053 2 26 . 2 2 3 3 DG P P 31 3.992 . . . . . . B 13 DG P . 30053 2 27 . 2 2 4 4 DG H1' H 1 5.92 . . . . . . B 14 DG H1' . 30053 2 28 . 2 2 4 4 DG H2' H 1 2.578 . . . . . . B 14 DG H2' . 30053 2 29 . 2 2 4 4 DG H2'' H 1 2.726 . . . . . . B 14 DG H2'' . 30053 2 30 . 2 2 4 4 DG H3' H 1 5.013 . . . . . . B 14 DG H3' . 30053 2 31 . 2 2 4 4 DG H4' H 1 4.424 . . . . . . B 14 DG H4' . 30053 2 32 . 2 2 4 4 DG H5' H 1 4.167 . . . . . . B 14 DG H5' . 30053 2 33 . 2 2 4 4 DG H5'' H 1 4.193 . . . . . . B 14 DG H5'' . 30053 2 34 . 2 2 4 4 DG H8 H 1 7.793 . . . . . . B 14 DG H8 . 30053 2 35 . 2 2 4 4 DG P P 31 3.681 . . . . . . B 14 DG P . 30053 2 36 . 2 2 5 5 DC H1' H 1 5.677 . . . . . . B 15 DC H1' . 30053 2 37 . 2 2 5 5 DC H2' H 1 1.868 . . . . . . B 15 DC H2' . 30053 2 38 . 2 2 5 5 DC H2'' H 1 2.326 . . . . . . B 15 DC H2'' . 30053 2 39 . 2 2 5 5 DC H3' H 1 4.852 . . . . . . B 15 DC H3' . 30053 2 40 . 2 2 5 5 DC H4' H 1 4.121 . . . . . . B 15 DC H4' . 30053 2 41 . 2 2 5 5 DC H5 H 1 5.289 . . . . . . B 15 DC H5 . 30053 2 42 . 2 2 5 5 DC H6 H 1 7.231 . . . . . . B 15 DC H6 . 30053 2 43 . 2 2 5 5 DC H41 H 1 6.341 . . . . . . B 15 DC H41 . 30053 2 44 . 2 2 5 5 DC H42 H 1 8.342 . . . . . . B 15 DC H42 . 30053 2 45 . 2 2 5 5 DC P P 31 3.55 . . . . . . B 15 DC P . 30053 2 46 . 2 2 6 6 DG H1' H 1 5.634 . . . . . . B 16 DG H1' . 30053 2 47 . 2 2 6 6 DG H2' H 1 2.706 . . . . . . B 16 DG H2' . 30053 2 48 . 2 2 6 6 DG H2'' H 1 2.76 . . . . . . B 16 DG H2'' . 30053 2 49 . 2 2 6 6 DG H3' H 1 5.026 . . . . . . B 16 DG H3' . 30053 2 50 . 2 2 6 6 DG H4' H 1 4.409 . . . . . . B 16 DG H4' . 30053 2 51 . 2 2 6 6 DG P P 31 3.796 . . . . . . B 16 DG P . 30053 2 52 . 2 2 7 7 DG H1' H 1 5.908 . . . . . . B 17 DG H1' . 30053 2 53 . 2 2 7 7 DG H2' H 1 2.579 . . . . . . B 17 DG H2' . 30053 2 54 . 2 2 7 7 DG H2'' H 1 2.721 . . . . . . B 17 DG H2'' . 30053 2 55 . 2 2 7 7 DG H3' H 1 4.97 . . . . . . B 17 DG H3' . 30053 2 56 . 2 2 7 7 DG H4' H 1 4.433 . . . . . . B 17 DG H4' . 30053 2 57 . 2 2 7 7 DG H5' H 1 4.069 . . . . . . B 17 DG H5' . 30053 2 58 . 2 2 7 7 DG H5'' H 1 4.047 . . . . . . B 17 DG H5'' . 30053 2 59 . 2 2 7 7 DG H8 H 1 7.754 . . . . . . B 17 DG H8 . 30053 2 60 . 2 2 7 7 DG P P 31 3.812 . . . . . . B 17 DG P . 30053 2 61 . 2 2 8 8 DC H1' H 1 5.959 . . . . . . B 18 DC H1' . 30053 2 62 . 2 2 8 8 DC H2' H 1 2.036 . . . . . . B 18 DC H2' . 30053 2 63 . 2 2 8 8 DC H2'' H 1 2.427 . . . . . . B 18 DC H2'' . 30053 2 64 . 2 2 8 8 DC H3' H 1 4.837 . . . . . . B 18 DC H3' . 30053 2 65 . 2 2 8 8 DC H4' H 1 4.195 . . . . . . B 18 DC H4' . 30053 2 66 . 2 2 8 8 DC H5 H 1 5.331 . . . . . . B 18 DC H5 . 30053 2 67 . 2 2 8 8 DC H6 H 1 7.367 . . . . . . B 18 DC H6 . 30053 2 68 . 2 2 8 8 DC H42 H 1 8.269 . . . . . . B 18 DC H42 . 30053 2 69 . 2 2 9 9 DC H1' H 1 5.672 . . . . . . B 19 DC H1' . 30053 2 70 . 2 2 9 9 DC H2' H 1 1.99 . . . . . . B 19 DC H2' . 30053 2 71 . 2 2 9 9 DC H2'' H 1 2.334 . . . . . . B 19 DC H2'' . 30053 2 72 . 2 2 9 9 DC H3' H 1 4.841 . . . . . . B 19 DC H3' . 30053 2 73 . 2 2 9 9 DC H4' H 1 4.1 . . . . . . B 19 DC H4' . 30053 2 74 . 2 2 9 9 DC H5 H 1 5.665 . . . . . . B 19 DC H5 . 30053 2 75 . 2 2 9 9 DC H6 H 1 7.469 . . . . . . B 19 DC H6 . 30053 2 76 . 2 2 9 9 DC H41 H 1 6.982 . . . . . . B 19 DC H41 . 30053 2 77 . 2 2 9 9 DC H42 H 1 8.704 . . . . . . B 19 DC H42 . 30053 2 78 . 2 2 10 10 DG H1' H 1 6.205 . . . . . . B 20 DG H1' . 30053 2 79 . 2 2 10 10 DG H2' H 1 2.518 . . . . . . B 20 DG H2' . 30053 2 80 . 2 2 10 10 DG H2'' H 1 2.387 . . . . . . B 20 DG H2'' . 30053 2 81 . 2 2 10 10 DG H3' H 1 4.71 . . . . . . B 20 DG H3' . 30053 2 82 . 2 2 10 10 DG H4' H 1 4.201 . . . . . . B 20 DG H4' . 30053 2 83 . 2 2 10 10 DG H5'' H 1 4.121 . . . . . . B 20 DG H5'' . 30053 2 84 . 2 2 10 10 DG H8 H 1 7.976 . . . . . . B 20 DG H8 . 30053 2 85 . 2 2 10 10 DG P P 31 3.968 . . . . . . B 20 DG P . 30053 2 stop_ save_