data_4247 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4247 _Entry.Title ; 1H Chemical Shift Assignments of the 8mer Chimeric Hybrid Duplex r(GCAGUGGC).r(RCCA)d(CTGC) ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1998-10-15 _Entry.Accession_date 1998-10-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The data reported here represent the 1H chemical shifts of a 8mer chimeric hybrid RNA/RNA-DNA duplex comprising the tRNA-DNA junction formed during initiation of HIV-1 reverse transcription ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Thomas Szyperski . . . 4247 2 Matthias Goette . . . 4247 3 Martin Billeter . . . 4247 4 Emanuele Perola . . . 4247 5 Luciano Celai . . . 4247 6 Hermann Heumann . . . 4247 7 Kurt Wuthrich . . . 4247 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 4247 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 145 4247 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-07-15 . update author 'update DNA residue label to two-letter code' 4247 2 . . 2000-03-03 . update author 'The chemical shift tables have been extensively revised' 4247 1 . . 2000-03-03 . update BMRB 'Format updated to NMR-STAR version 2.1.1' 4247 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4247 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99281462 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Szyperski, T., Goette, M., Billeter, M., Perola, E., Celai, L., Heumann, H., and Wuthrich, K., "NMR Structure of the Chimeric Hybrid Duplex r(gcaguggc). r(gcca)d(CTGC) Comprising the tRNA-DNA Junction Formed During Initiation of HIV-1 Reverse Trancription." J. Biomol. NMR, 13(4), 343-355 (1999). ; _Citation.Title ; NMR Structure of the Chimeric Hybrid Duplex r(gcaguggc). r(gcca)d(CTGC) Comprising the tRNA-DNA Junction Formed During Initiation of HIV-1 Reverse Trancription ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 343 _Citation.Page_last 355 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Szyperski . . . 4247 1 2 Matthias Goette . . . 4247 1 3 Martin Billeter . . . 4247 1 4 Emanuele Perola . . . 4247 1 5 Luciano Celai . . . 4247 1 6 Hermann Heumann . . . 4247 1 7 Kurt Wuthrich . . . 4247 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AIDS 4247 1 'chimeric hybrid duplex' 4247 1 'NMR spectroscopy' 4247 1 'NMR structure' 4247 1 'Nucleic acids' 4247 1 'reverse transcription' 4247 1 'sequential resonance assignment' 4247 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CHD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CHD _Assembly.Entry_ID 4247 _Assembly.ID 1 _Assembly.Name '8mer chimeric hybrid RNA/RNA-DNA duplex with tRNA-DNA junction' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID duplex 4247 1 stop_ 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 CHDA 1 $CHDA . . . native . . . . . 4247 1 2 'CHDB RNA' 2 $CHDB_RNA . . . native . . . . . 4247 1 3 'CHDB DNA' 3 $CHDB_DNA . . . native . . . . . 4247 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 phosphodiester single . 2 . 2 A 4 4 O3' . 3 . 3 DC 1 1 P . . . . . . . . . . 4247 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . 1 2 2 A 4 4 HO3' . . . . 4247 1 . 2 3 3 DC 1 1 OP3 . . . . 4247 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1byx . 'Chimeric hybrid duplex formed during initiation of HIV-1 transcription' . . . . 4247 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '8mer chimeric hybrid RNA/RNA-DNA duplex with tRNA-DNA junction' system 4247 1 CHD abbreviation 4247 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; The chimeric hybrid duplex is formed during the initiation of HIV-1 reverse transcription, i.e. (-)DNA synthesis. ; 4247 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CHDA _Entity.Sf_category entity _Entity.Sf_framecode CHDA _Entity.Entry_ID 4247 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CHD_strand_A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCAGUGGC _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'plus strand, 8mer' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CHDA abbreviation 4247 1 CHDA variant 4247 1 CHD_strand_A common 4247 1 stop_ 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 . G . 4247 1 2 . C . 4247 1 3 . A . 4247 1 4 . G . 4247 1 5 . U . 4247 1 6 . G . 4247 1 7 . G . 4247 1 8 . C . 4247 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 . G 1 1 4247 1 . C 2 2 4247 1 . A 3 3 4247 1 . G 4 4 4247 1 . U 5 5 4247 1 . G 6 6 4247 1 . G 7 7 4247 1 . C 8 8 4247 1 stop_ save_ save_CHDB_RNA _Entity.Sf_category entity _Entity.Sf_framecode CHDB_RNA _Entity.Entry_ID 4247 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CHD_strand_B_RNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCCA _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 4 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; First 4 (RNA) residues of RNA/DNA hybrid 8mer minus strand Complete strand: r(GCCA)d(CTGC) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CHDB_RNA abbreviation 4247 2 CHD_strand_B_RNA common 4247 2 stop_ 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 . G . 4247 2 2 . C . 4247 2 3 . C . 4247 2 4 . A . 4247 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 . G 1 1 4247 2 . C 2 2 4247 2 . C 3 3 4247 2 . A 4 4 4247 2 stop_ save_ save_CHDB_DNA _Entity.Sf_category entity _Entity.Sf_framecode CHDB_DNA _Entity.Entry_ID 4247 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CHD_strand_B_DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CTGC _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 4 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Last 4 (DNA) residues of RNA/DNA hybrid 8mer minus strand Complete strand: r(GCCA)d(CTGC) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CHDB_DNA abbreviation 4247 3 CHD_strand_B_DNA common 4247 3 stop_ 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 5 DC . 4247 3 2 6 DT . 4247 3 3 7 DG . 4247 3 4 8 DC . 4247 3 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 4247 3 . DT 2 2 4247 3 . DG 3 3 4247 3 . DC 4 4 4247 3 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 4247 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CHDA . 9606 organism . 'Homo sapiens' human . . Eucaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4247 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 4247 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CHDA . 'Chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4247 1 2 2 $CHDB_RNA . 'Chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4247 1 3 3 $CHDB_DNA . 'Chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4247 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4247 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '8mer chimeric hybrid RNA/RNA-DNA duplex with tRNA-DNA junction' . 1 $system_CHD . . . . 1.5 . . mM . . . . 4247 1 2 KPO4 . . . . . . . 20 . . mM . . . . 4247 1 3 NaCL . . . . . . . 100 . . mM . . . . 4247 1 4 D2O . . . . . . . 10 . . % . . . . 4247 1 5 H2O . . . . . . . 90 . . % . . . . 4247 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4247 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 4247 1 temperature 298 . K 4247 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4247 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4247 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4247 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY_PLUS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4247 _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_one Bruker AMX . 500 . . . 4247 1 2 NMR_spectrometer_two BRUKER AMX . 600 . . . 4247 1 3 NMR_spectrometer_three VARIAN UNITY_PLUS . 750 . . . 4247 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 4247 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4247 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4247 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4247 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4247 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; RNA-DNA chimeric hybrid duplex, sequence number (5') 1-8 (3'): RNA plus strand r(GCAGUGGC) ; _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 $sample_one . 4247 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 G H5' H 1 3.84 . . 2 . . . . . . . . 4247 1 2 . 1 1 1 1 G H5'' H 1 3.94 . . 2 . . . . . . . . 4247 1 3 . 1 1 1 1 G H4' H 1 4.23 . . 1 . . . . . . . . 4247 1 4 . 1 1 1 1 G H3' H 1 4.47 . . 1 . . . . . . . . 4247 1 5 . 1 1 1 1 G H2' H 1 4.69 . . 1 . . . . . . . . 4247 1 6 . 1 1 1 1 G H1' H 1 5.59 . . 1 . . . . . . . . 4247 1 7 . 1 1 1 1 G H8 H 1 7.91 . . 1 . . . . . . . . 4247 1 8 . 1 1 2 2 C H5' H 1 4.14 . . 2 . . . . . . . . 4247 1 9 . 1 1 2 2 C H5'' H 1 4.51 . . 2 . . . . . . . . 4247 1 10 . 1 1 2 2 C H4' H 1 4.45 . . 1 . . . . . . . . 4247 1 11 . 1 1 2 2 C H3' H 1 4.57 . . 1 . . . . . . . . 4247 1 12 . 1 1 2 2 C H2' H 1 4.63 . . 1 . . . . . . . . 4247 1 13 . 1 1 2 2 C H1' H 1 5.52 . . 1 . . . . . . . . 4247 1 14 . 1 1 2 2 C H41 H 1 8.43 . . 2 . . . . . . . . 4247 1 15 . 1 1 2 2 C H42 H 1 6.70 . . 2 . . . . . . . . 4247 1 16 . 1 1 2 2 C H5 H 1 5.25 . . 1 . . . . . . . . 4247 1 17 . 1 1 2 2 C H6 H 1 7.78 . . 1 . . . . . . . . 4247 1 18 . 1 1 3 3 A H5' H 1 4.17 . . 2 . . . . . . . . 4247 1 19 . 1 1 3 3 A H5'' H 1 4.56 . . 2 . . . . . . . . 4247 1 20 . 1 1 3 3 A H4' H 1 4.51 . . 1 . . . . . . . . 4247 1 21 . 1 1 3 3 A H3' H 1 4.69 . . 1 . . . . . . . . 4247 1 22 . 1 1 3 3 A H2' H 1 4.79 . . 1 . . . . . . . . 4247 1 23 . 1 1 3 3 A H1' H 1 5.96 . . 1 . . . . . . . . 4247 1 24 . 1 1 3 3 A H2 H 1 7.25 . . 1 . . . . . . . . 4247 1 25 . 1 1 3 3 A H8 H 1 8.02 . . 1 . . . . . . . . 4247 1 26 . 1 1 4 4 G H5' H 1 4.05 . . 2 . . . . . . . . 4247 1 27 . 1 1 4 4 G H5'' H 1 4.42 . . 2 . . . . . . . . 4247 1 28 . 1 1 4 4 G H4' H 1 4.47 . . 1 . . . . . . . . 4247 1 29 . 1 1 4 4 G H3' H 1 4.33 . . 1 . . . . . . . . 4247 1 30 . 1 1 4 4 G H2' H 1 4.32 . . 1 . . . . . . . . 4247 1 31 . 1 1 4 4 G H1' H 1 5.47 . . 1 . . . . . . . . 4247 1 32 . 1 1 4 4 G H1 H 1 13.27 . . 1 . . . . . . . . 4247 1 33 . 1 1 4 4 G H8 H 1 7.12 . . 1 . . . . . . . . 4247 1 34 . 1 1 5 5 U H5' H 1 4.07 . . 2 . . . . . . . . 4247 1 35 . 1 1 5 5 U H5'' H 1 4.55 . . 2 . . . . . . . . 4247 1 36 . 1 1 5 5 U H4' H 1 4.42 . . 1 . . . . . . . . 4247 1 37 . 1 1 5 5 U H3' H 1 4.56 . . 1 . . . . . . . . 4247 1 38 . 1 1 5 5 U H2' H 1 4.59 . . 1 . . . . . . . . 4247 1 39 . 1 1 5 5 U H1' H 1 5.55 . . 1 . . . . . . . . 4247 1 40 . 1 1 5 5 U H3 H 1 13.63 . . 1 . . . . . . . . 4247 1 41 . 1 1 5 5 U H5 H 1 5.00 . . 1 . . . . . . . . 4247 1 42 . 1 1 5 5 U H6 H 1 7.70 . . 1 . . . . . . . . 4247 1 43 . 1 1 6 6 G H5' H 1 4.14 . . 2 . . . . . . . . 4247 1 44 . 1 1 6 6 G H5'' H 1 4.48 . . 2 . . . . . . . . 4247 1 45 . 1 1 6 6 G H4' H 1 4.51 . . 1 . . . . . . . . 4247 1 46 . 1 1 6 6 G H3' H 1 4.59 . . 1 . . . . . . . . 4247 1 47 . 1 1 6 6 G H2' H 1 4.61 . . 1 . . . . . . . . 4247 1 48 . 1 1 6 6 G H1' H 1 5.81 . . 1 . . . . . . . . 4247 1 49 . 1 1 6 6 G H1 H 1 12.12 . . 1 . . . . . . . . 4247 1 50 . 1 1 6 6 G H8 H 1 7.66 . . 1 . . . . . . . . 4247 1 51 . 1 1 7 7 G H5' H 1 4.06 . . 2 . . . . . . . . 4247 1 52 . 1 1 7 7 G H5'' H 1 4.48 . . 2 . . . . . . . . 4247 1 53 . 1 1 7 7 G H4' H 1 4.47 . . 1 . . . . . . . . 4247 1 54 . 1 1 7 7 G H3' H 1 4.40 . . 1 . . . . . . . . 4247 1 55 . 1 1 7 7 G H2' H 1 4.41 . . 1 . . . . . . . . 4247 1 56 . 1 1 7 7 G H1' H 1 5.68 . . 1 . . . . . . . . 4247 1 57 . 1 1 7 7 G H1 H 1 13.34 . . 1 . . . . . . . . 4247 1 58 . 1 1 7 7 G H8 H 1 7.27 . . 1 . . . . . . . . 4247 1 59 . 1 1 8 8 C H5' H 1 4.22 . . 2 . . . . . . . . 4247 1 60 . 1 1 8 8 C H4' H 1 4.16 . . 1 . . . . . . . . 4247 1 61 . 1 1 8 8 C H3' H 1 4.06 . . 1 . . . . . . . . 4247 1 62 . 1 1 8 8 C H2' H 1 3.99 . . 1 . . . . . . . . 4247 1 63 . 1 1 8 8 C H1' H 1 5.66 . . 1 . . . . . . . . 4247 1 64 . 1 1 8 8 C H41 H 1 8.26 . . 2 . . . . . . . . 4247 1 65 . 1 1 8 8 C H42 H 1 6.87 . . 2 . . . . . . . . 4247 1 66 . 1 1 8 8 C H5 H 1 5.21 . . 1 . . . . . . . . 4247 1 67 . 1 1 8 8 C H6 H 1 7.44 . . 1 . . . . . . . . 4247 1 stop_ save_ save_chemical_shift_assignment_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_two _Assigned_chem_shift_list.Entry_ID 4247 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; RNA portion of minus strand of RNA-DNA chimeric hybrid duplex, sequence number (5') 1-4 (3'): Complete strand: r(GCCA)d(CTGC) ; _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 $sample_one . 4247 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 G H5' H 1 3.83 . . 2 . . . . . . . . 4247 2 2 . 2 2 1 1 G H5'' H 1 3.94 . . 2 . . . . . . . . 4247 2 3 . 2 2 1 1 G H4' H 1 4.23 . . 1 . . . . . . . . 4247 2 4 . 2 2 1 1 G H3' H 1 4.47 . . 1 . . . . . . . . 4247 2 5 . 2 2 1 1 G H2' H 1 4.65 . . 1 . . . . . . . . 4247 2 6 . 2 2 1 1 G H1' H 1 5.60 . . 1 . . . . . . . . 4247 2 7 . 2 2 1 1 G H8 H 1 7.91 . . 1 . . . . . . . . 4247 2 8 . 2 2 2 2 C H5' H 1 4.12 . . 2 . . . . . . . . 4247 2 9 . 2 2 2 2 C H5'' H 1 4.58 . . 2 . . . . . . . . 4247 2 10 . 2 2 2 2 C H4' H 1 4.46 . . 1 . . . . . . . . 4247 2 11 . 2 2 2 2 C H3' H 1 4.54 . . 1 . . . . . . . . 4247 2 12 . 2 2 2 2 C H2' H 1 4.46 . . 1 . . . . . . . . 4247 2 13 . 2 2 2 2 C H1' H 1 5.62 . . 1 . . . . . . . . 4247 2 14 . 2 2 2 2 C H41 H 1 8.69 . . 2 . . . . . . . . 4247 2 15 . 2 2 2 2 C H42 H 1 6.76 . . 2 . . . . . . . . 4247 2 16 . 2 2 2 2 C H5 H 1 5.22 . . 1 . . . . . . . . 4247 2 17 . 2 2 2 2 C H6 H 1 7.89 . . 1 . . . . . . . . 4247 2 18 . 2 2 3 3 C H5' H 1 4.49 . . 2 . . . . . . . . 4247 2 19 . 2 2 3 3 C H5'' H 1 4.59 . . 2 . . . . . . . . 4247 2 20 . 2 2 3 3 C H4' H 1 4.44 . . 1 . . . . . . . . 4247 2 21 . 2 2 3 3 C H3' H 1 4.59 . . 1 . . . . . . . . 4247 2 22 . 2 2 3 3 C H2' H 1 4.50 . . 1 . . . . . . . . 4247 2 23 . 2 2 3 3 C H1' H 1 5.48 . . 1 . . . . . . . . 4247 2 24 . 2 2 3 3 C H41 H 1 8.41 . . 2 . . . . . . . . 4247 2 25 . 2 2 3 3 C H42 H 1 6.87 . . 2 . . . . . . . . 4247 2 26 . 2 2 3 3 C H5 H 1 5.57 . . 1 . . . . . . . . 4247 2 27 . 2 2 3 3 C H6 H 1 7.79 . . 1 . . . . . . . . 4247 2 28 . 2 2 4 4 A H5' H 1 4.03 . . 2 . . . . . . . . 4247 2 29 . 2 2 4 4 A H5'' H 1 4.14 . . 2 . . . . . . . . 4247 2 30 . 2 2 4 4 A H4' H 1 4.48 . . 1 . . . . . . . . 4247 2 31 . 2 2 4 4 A H3' H 1 4.68 . . 1 . . . . . . . . 4247 2 32 . 2 2 4 4 A H2' H 1 4.60 . . 1 . . . . . . . . 4247 2 33 . 2 2 4 4 A H1' H 1 5.94 . . 1 . . . . . . . . 4247 2 34 . 2 2 4 4 A H2 H 1 7.38 . . 1 . . . . . . . . 4247 2 35 . 2 2 4 4 A H8 H 1 8.08 . . 1 . . . . . . . . 4247 2 stop_ save_ save_chemical_shift_assignment_three _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_three _Assigned_chem_shift_list.Entry_ID 4247 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; DNA portion of RNA-DNA chimeric hybrid duplex minus strand, author sequence number (5') 5-8 (3') Complete strand: r(GCCA)d(CTGC) ; _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 $sample_one . 4247 3 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 . 3 3 1 1 DC H5' H 1 4.05 . . 2 . . . . . . . . 4247 3 2 . 3 3 1 1 DC H5'' H 1 4.39 . . 2 . . . . . . . . 4247 3 3 . 3 3 1 1 DC H4' H 1 4.18 . . 1 . . . . . . . . 4247 3 4 . 3 3 1 1 DC H3' H 1 4.44 . . 1 . . . . . . . . 4247 3 5 . 3 3 1 1 DC H2' H 1 2.26 . . 2 . . . . . . . . 4247 3 6 . 3 3 1 1 DC H2'' H 1 2.52 . . 2 . . . . . . . . 4247 3 7 . 3 3 1 1 DC H1' H 1 5.60 . . 1 . . . . . . . . 4247 3 8 . 3 3 1 1 DC H41 H 1 8.27 . . 2 . . . . . . . . 4247 3 9 . 3 3 1 1 DC H42 H 1 6.95 . . 2 . . . . . . . . 4247 3 10 . 3 3 1 1 DC H5 H 1 5.26 . . 1 . . . . . . . . 4247 3 11 . 3 3 1 1 DC H6 H 1 7.31 . . 1 . . . . . . . . 4247 3 12 . 3 3 2 2 DT H5' H 1 4.11 . . 2 . . . . . . . . 4247 3 13 . 3 3 2 2 DT H5'' H 1 4.14 . . 2 . . . . . . . . 4247 3 14 . 3 3 2 2 DT H4' H 1 4.25 . . 1 . . . . . . . . 4247 3 15 . 3 3 2 2 DT H3' H 1 4.87 . . 1 . . . . . . . . 4247 3 16 . 3 3 2 2 DT H2' H 1 2.43 . . 1 . . . . . . . . 4247 3 17 . 3 3 2 2 DT H2'' H 1 2.66 . . 1 . . . . . . . . 4247 3 18 . 3 3 2 2 DT H1' H 1 6.05 . . 1 . . . . . . . . 4247 3 19 . 3 3 2 2 DT H3 H 1 13.47 . . 1 . . . . . . . . 4247 3 20 . 3 3 2 2 DT H6 H 1 7.69 . . 1 . . . . . . . . 4247 3 21 . 3 3 2 2 DT H71 H 1 1.44 . . 3 . . . . . . . . 4247 3 22 . 3 3 2 2 DT H72 H 1 1.44 . . 3 . . . . . . . . 4247 3 23 . 3 3 2 2 DT H73 H 1 1.44 . . 3 . . . . . . . . 4247 3 24 . 3 3 3 3 DG H5' H 1 4.16 . . 2 . . . . . . . . 4247 3 25 . 3 3 3 3 DG H5'' H 1 4.20 . . 2 . . . . . . . . 4247 3 26 . 3 3 3 3 DG H4' H 1 4.38 . . 1 . . . . . . . . 4247 3 27 . 3 3 3 3 DG H3' H 1 4.90 . . 1 . . . . . . . . 4247 3 28 . 3 3 3 3 DG H2' H 1 2.51 . . 1 . . . . . . . . 4247 3 29 . 3 3 3 3 DG H2'' H 1 2.69 . . 1 . . . . . . . . 4247 3 30 . 3 3 3 3 DG H1' H 1 6.03 . . 1 . . . . . . . . 4247 3 31 . 3 3 3 3 DG H1 H 1 12.24 . . 1 . . . . . . . . 4247 3 32 . 3 3 3 3 DG H8 H 1 7.74 . . 1 . . . . . . . . 4247 3 33 . 3 3 4 4 DC H5' H 1 4.10 . . 2 . . . . . . . . 4247 3 34 . 3 3 4 4 DC H5'' H 1 4.26 . . 2 . . . . . . . . 4247 3 35 . 3 3 4 4 DC H4' H 1 4.08 . . 1 . . . . . . . . 4247 3 36 . 3 3 4 4 DC H3' H 1 4.47 . . 1 . . . . . . . . 4247 3 37 . 3 3 4 4 DC H2' H 1 2.09 . . 2 . . . . . . . . 4247 3 38 . 3 3 4 4 DC H2'' H 1 2.24 . . 2 . . . . . . . . 4247 3 39 . 3 3 4 4 DC H1' H 1 6.16 . . 1 . . . . . . . . 4247 3 40 . 3 3 4 4 DC H41 H 1 8.21 . . 2 . . . . . . . . 4247 3 41 . 3 3 4 4 DC H42 H 1 6.59 . . 2 . . . . . . . . 4247 3 42 . 3 3 4 4 DC H5 H 1 5.15 . . 1 . . . . . . . . 4247 3 43 . 3 3 4 4 DC H6 H 1 7.36 . . 1 . . . . . . . . 4247 3 stop_ save_