data_51036 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51036 _Entry.Title ; loxP spacer 16-mer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-28 _Entry.Accession_date 2021-07-28 _Entry.Last_release_date 2021-07-28 _Entry.Original_release_date 2021-07-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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_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 Nicole Wagner . . . . 51036 2 Mark Foster . . . . 51036 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51036 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 63 51036 '1H chemical shifts' 195 51036 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 1 . . 2022-01-22 . original BMRB . 51036 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51032 'loxP spacer 10-mer' 51036 BMRB 51035 'loxP spacer 12-mer' 51036 BMRB 51037 'loxP spacer 22-mer' 51036 BMRB 51047 'lox4 spacer 16-mer' 51036 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51036 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34985267 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nearest-neighbor effects modulate loxP spacer DNA chemical shifts and guide oligonucleotide design for nuclear magnetic resonance studies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 61 _Citation.Journal_issue 2 _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 67 _Citation.Page_last 76 _Citation.Year 2022 _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 Nicole Wagner . . . . 51036 1 2 Mark Foster . . . . 51036 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51036 _Assembly.ID 1 _Assembly.Name 'loxP spacer 16-mer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 A 1 $entity_1 . . yes native no no . . . 51036 1 2 B 2 $entity_2 . . yes native no no . . . 51036 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51036 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; CGTAATGTATGCTACC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . _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 . 51036 1 2 2 DG . 51036 1 3 3 DT . 51036 1 4 4 DA . 51036 1 5 5 DA . 51036 1 6 6 DT . 51036 1 7 7 DG . 51036 1 8 8 DT . 51036 1 9 9 DA . 51036 1 10 10 DT . 51036 1 11 11 DG . 51036 1 12 12 DC . 51036 1 13 13 DT . 51036 1 14 14 DA . 51036 1 15 15 DC . 51036 1 16 16 DC . 51036 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 51036 1 . DG 2 2 51036 1 . DT 3 3 51036 1 . DA 4 4 51036 1 . DA 5 5 51036 1 . DT 6 6 51036 1 . DG 7 7 51036 1 . DT 8 8 51036 1 . DA 9 9 51036 1 . DT 10 10 51036 1 . DG 11 11 51036 1 . DC 12 12 51036 1 . DT 13 13 51036 1 . DA 14 14 51036 1 . DC 15 15 51036 1 . DC 16 16 51036 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51036 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GGTAGCATACATTACG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . _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 DG . 51036 2 2 2 DG . 51036 2 3 3 DT . 51036 2 4 4 DA . 51036 2 5 5 DG . 51036 2 6 6 DC . 51036 2 7 7 DA . 51036 2 8 8 DT . 51036 2 9 9 DA . 51036 2 10 10 DC . 51036 2 11 11 DA . 51036 2 12 12 DT . 51036 2 13 13 DT . 51036 2 14 14 DA . 51036 2 15 15 DC . 51036 2 16 16 DG . 51036 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 . DG 1 1 51036 2 . DG 2 2 51036 2 . DT 3 3 51036 2 . DA 4 4 51036 2 . DG 5 5 51036 2 . DC 6 6 51036 2 . DA 7 7 51036 2 . DT 8 8 51036 2 . DA 9 9 51036 2 . DC 10 10 51036 2 . DA 11 11 51036 2 . DT 12 12 51036 2 . DT 13 13 51036 2 . DA 14 14 51036 2 . DC 15 15 51036 2 . DG 16 16 51036 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51036 _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 . . organism . 'not available' . . . . . not available . . . . . . . . . . . . . 51036 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51036 _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 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 51036 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51036 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'loxP spacer 16-mer' 'natural abundance' . . 1 $entity_1 . . 1.37 . . mM . . . . 51036 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51036 1 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 51036 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 51036 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51036 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51036 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 51036 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 51036 1 pH 7.0 . pH 51036 1 pressure 1 . atm 51036 1 temperature 298 . K 51036 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51036 _Software.ID 1 _Software.Type . _Software.Name 'NMRFx Processor' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51036 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51036 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51036 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51036 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51036 3 'data analysis' . 51036 3 'peak picking' . 51036 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 51036 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 51036 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 850 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51036 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51036 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51036 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51036 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51036 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51036 1 6 '2D 1H-13C HSQC anomeric' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51036 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 51036 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name loxP_16mer_shifts _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 51036 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51036 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 51036 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 2 '2D 1H-1H TOCSY' . . . 51036 1 3 '2D 1H-1H NOESY' . . . 51036 1 4 '2D 1H-13C HSQC aromatic' . . . 51036 1 6 '2D 1H-13C HSQC anomeric' . . . 51036 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 . . 51036 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 5.7606 0.0 . 1 . . . . . 1 DC H1' . 51036 1 2 . 1 . 1 1 1 DC H2' H 1 2.0056 0.0 . 2 . . . . . 1 DC H2' . 51036 1 3 . 1 . 1 1 1 DC H2'' H 1 2.4103 0.0 . 2 . . . . . 1 DC H2'' . 51036 1 4 . 1 . 1 1 1 DC H3' H 1 4.6958 0.0 . 1 . . . . . 1 DC H3' . 51036 1 5 . 1 . 1 1 1 DC H6 H 1 7.6281 0.0 . 1 . . . . . 1 DC H6 . 51036 1 6 . 1 . 1 1 1 DC C1' C 13 88.1212 0.0 . 1 . . . . . 1 DC C1' . 51036 1 7 . 1 . 1 1 1 DC C6 C 13 143.3662 0.0 . 1 . . . . . 1 DC C6 . 51036 1 8 . 1 . 1 2 2 DG H1 H 1 12.7777 0.0 . 1 . . . . . 2 DG H1 . 51036 1 9 . 1 . 1 2 2 DG H1' H 1 5.9349 0.0 . 1 . . . . . 2 DG H1' . 51036 1 10 . 1 . 1 2 2 DG H2' H 1 2.6457 0.0 . 2 . . . . . 2 DG H2' . 51036 1 11 . 1 . 1 2 2 DG H2'' H 1 2.7545 0.0 . 2 . . . . . 2 DG H2'' . 51036 1 12 . 1 . 1 2 2 DG H3' H 1 4.9584 0.0 . 1 . . . . . 2 DG H3' . 51036 1 13 . 1 . 1 2 2 DG H8 H 1 7.96 0.0 . 1 . . . . . 2 DG H8 . 51036 1 14 . 1 . 1 2 2 DG C1' C 13 84.5884 0.0 . 1 . . . . . 2 DG C1' . 51036 1 15 . 1 . 1 2 2 DG C8 C 13 138.4925 0.0 . 1 . . . . . 2 DG C8 . 51036 1 16 . 1 . 1 3 3 DT H1' H 1 5.5986 0.0 . 1 . . . . . 3 DT H1' . 51036 1 17 . 1 . 1 3 3 DT H2' H 1 2.036 0.0 . 2 . . . . . 3 DT H2' . 51036 1 18 . 1 . 1 3 3 DT H2'' H 1 2.3812 0.0 . 2 . . . . . 3 DT H2'' . 51036 1 19 . 1 . 1 3 3 DT H3 H 1 13.3191 0.0 . 1 . . . . . 3 DT H3 . 51036 1 20 . 1 . 1 3 3 DT H3' H 1 4.8543 0.0 . 1 . . . . . 3 DT H3' . 51036 1 21 . 1 . 1 3 3 DT H6 H 1 7.2109 0.0 . 1 . . . . . 3 DT H6 . 51036 1 22 . 1 . 1 3 3 DT H71 H 1 1.4807 0.0 . 1 . . . . . 3 DT H71 . 51036 1 23 . 1 . 1 3 3 DT H72 H 1 1.4807 0.0 . 1 . . . . . 3 DT H72 . 51036 1 24 . 1 . 1 3 3 DT H73 H 1 1.4807 0.0 . 1 . . . . . 3 DT H73 . 51036 1 25 . 1 . 1 3 3 DT C1' C 13 85.3041 0.0 . 1 . . . . . 3 DT C1' . 51036 1 26 . 1 . 1 3 3 DT C6 C 13 138.5954 0.0 . 1 . . . . . 3 DT C6 . 51036 1 27 . 1 . 1 4 4 DA H1' H 1 5.9611 0.0 . 1 . . . . . 4 DA H1' . 51036 1 28 . 1 . 1 4 4 DA H2 H 1 6.868 0.0 . 1 . . . . . 4 DA H2 . 51036 1 29 . 1 . 1 4 4 DA H2'' H 1 2.7361 0.0 . 2 . . . . . 4 DA H2'' . 51036 1 30 . 1 . 1 4 4 DA H3' H 1 5.042 0.0 . 1 . . . . . 4 DA H3' . 51036 1 31 . 1 . 1 4 4 DA H8 H 1 8.2383 0.0 . 1 . . . . . 4 DA H8 . 51036 1 32 . 1 . 1 4 4 DA C1' C 13 84.5828 0.0 . 1 . . . . . 4 DA C1' . 51036 1 33 . 1 . 1 4 4 DA C8 C 13 141.9072 0.0 . 1 . . . . . 4 DA C8 . 51036 1 34 . 1 . 1 5 5 DA H1' H 1 6.1072 0.0 . 1 . . . . . 5 DA H1' . 51036 1 35 . 1 . 1 5 5 DA H2 H 1 7.5191 0.0 . 1 . . . . . 5 DA H2 . 51036 1 36 . 1 . 1 5 5 DA H2' H 1 2.5137 0.0 . 2 . . . . . 5 DA H2' . 51036 1 37 . 1 . 1 5 5 DA H2'' H 1 2.8774 0.0 . 2 . . . . . 5 DA H2'' . 51036 1 38 . 1 . 1 5 5 DA H3' H 1 4.9714 0.0 . 1 . . . . . 5 DA H3' . 51036 1 39 . 1 . 1 5 5 DA H8 H 1 8.1126 0.0 . 1 . . . . . 5 DA H8 . 51036 1 40 . 1 . 1 5 5 DA C1' C 13 84.6787 0.0 . 1 . . . . . 5 DA C1' . 51036 1 41 . 1 . 1 5 5 DA C8 C 13 141.1095 0.0 . 1 . . . . . 5 DA C8 . 51036 1 42 . 1 . 1 6 6 DT H1' H 1 5.6798 0.0 . 1 . . . . . 6 DT H1' . 51036 1 43 . 1 . 1 6 6 DT H2' H 1 2.0043 0.0 . 2 . . . . . 6 DT H2' . 51036 1 44 . 1 . 1 6 6 DT H2'' H 1 2.3953 0.0 . 2 . . . . . 6 DT H2'' . 51036 1 45 . 1 . 1 6 6 DT H3 H 1 13.2002 0.0 . 1 . . . . . 6 DT H3 . 51036 1 46 . 1 . 1 6 6 DT H3' H 1 4.8114 0.0 . 1 . . . . . 6 DT H3' . 51036 1 47 . 1 . 1 6 6 DT H6 H 1 6.9677 0.0 . 1 . . . . . 6 DT H6 . 51036 1 48 . 1 . 1 6 6 DT H71 H 1 1.3044 0.0 . 1 . . . . . 6 DT H71 . 51036 1 49 . 1 . 1 6 6 DT H72 H 1 1.3044 0.0 . 1 . . . . . 6 DT H72 . 51036 1 50 . 1 . 1 6 6 DT H73 H 1 1.3044 0.0 . 1 . . . . . 6 DT H73 . 51036 1 51 . 1 . 1 6 6 DT C1' C 13 85.4206 0.0 . 1 . . . . . 6 DT C1' . 51036 1 52 . 1 . 1 6 6 DT C6 C 13 137.9395 0.0 . 1 . . . . . 6 DT C6 . 51036 1 53 . 1 . 1 7 7 DG H1 H 1 12.2263 0.0 . 1 . . . . . 7 DG H1 . 51036 1 54 . 1 . 1 7 7 DG H1' H 1 5.8614 0.0 . 1 . . . . . 7 DG H1' . 51036 1 55 . 1 . 1 7 7 DG H2' H 1 2.4956 0.0 . 2 . . . . . 7 DG H2' . 51036 1 56 . 1 . 1 7 7 DG H2'' H 1 2.6987 0.0 . 2 . . . . . 7 DG H2'' . 51036 1 57 . 1 . 1 7 7 DG H3' H 1 4.8627 0.0 . 1 . . . . . 7 DG H3' . 51036 1 58 . 1 . 1 7 7 DG H8 H 1 7.6696 0.0 . 1 . . . . . 7 DG H8 . 51036 1 59 . 1 . 1 7 7 DG C1' C 13 84.7468 0.0 . 1 . . . . . 7 DG C1' . 51036 1 60 . 1 . 1 7 7 DG C8 C 13 138.1795 0.0 . 1 . . . . . 7 DG C8 . 51036 1 61 . 1 . 1 8 8 DT H1' H 1 5.7228 0.0 . 1 . . . . . 8 DT H1' . 51036 1 62 . 1 . 1 8 8 DT H2' H 1 2.111 0.0 . 2 . . . . . 8 DT H2' . 51036 1 63 . 1 . 1 8 8 DT H2'' H 1 2.491 0.0 . 2 . . . . . 8 DT H2'' . 51036 1 64 . 1 . 1 8 8 DT H3 H 1 13.2434 0.0 . 1 . . . . . 8 DT H3 . 51036 1 65 . 1 . 1 8 8 DT H3' H 1 4.8448 0.0 . 1 . . . . . 8 DT H3' . 51036 1 66 . 1 . 1 8 8 DT H6 H 1 7.1611 0.0 . 1 . . . . . 8 DT H6 . 51036 1 67 . 1 . 1 8 8 DT H71 H 1 1.29 0.0 . 1 . . . . . 8 DT H71 . 51036 1 68 . 1 . 1 8 8 DT H72 H 1 1.29 0.0 . 1 . . . . . 8 DT H72 . 51036 1 69 . 1 . 1 8 8 DT H73 H 1 1.29 0.0 . 1 . . . . . 8 DT H73 . 51036 1 70 . 1 . 1 8 8 DT C1' C 13 85.3587 0.0 . 1 . . . . . 8 DT C1' . 51036 1 71 . 1 . 1 8 8 DT C6 C 13 138.5472 0.0 . 1 . . . . . 8 DT C6 . 51036 1 72 . 1 . 1 9 9 DA H1' H 1 6.1969 0.0 . 1 . . . . . 9 DA H1' . 51036 1 73 . 1 . 1 9 9 DA H2 H 1 7.2638 0.0 . 1 . . . . . 9 DA H2 . 51036 1 74 . 1 . 1 9 9 DA H2' H 1 2.606 0.0 . 2 . . . . . 9 DA H2' . 51036 1 75 . 1 . 1 9 9 DA H2'' H 1 2.891 0.0 . 2 . . . . . 9 DA H2'' . 51036 1 76 . 1 . 1 9 9 DA H3' H 1 4.9782 0.0 . 1 . . . . . 9 DA H3' . 51036 1 77 . 1 . 1 9 9 DA H8 H 1 8.2407 0.0 . 1 . . . . . 9 DA H8 . 51036 1 78 . 1 . 1 9 9 DA C1' C 13 85.0688 0.0 . 1 . . . . . 9 DA C1' . 51036 1 79 . 1 . 1 9 9 DA C8 C 13 141.8193 0.0 . 1 . . . . . 9 DA C8 . 51036 1 80 . 1 . 1 10 10 DT H1' H 1 5.7085 0.0 . 1 . . . . . 10 DT H1' . 51036 1 81 . 1 . 1 10 10 DT H2' H 1 1.9715 0.0 . 2 . . . . . 10 DT H2' . 51036 1 82 . 1 . 1 10 10 DT H2'' H 1 2.3879 0.0 . 2 . . . . . 10 DT H2'' . 51036 1 83 . 1 . 1 10 10 DT H3 H 1 13.3299 0.0 . 1 . . . . . 10 DT H3 . 51036 1 84 . 1 . 1 10 10 DT H3' H 1 4.8274 0.0 . 1 . . . . . 10 DT H3' . 51036 1 85 . 1 . 1 10 10 DT H6 H 1 7.0449 0.0 . 1 . . . . . 10 DT H6 . 51036 1 86 . 1 . 1 10 10 DT H71 H 1 1.3353 0.0 . 1 . . . . . 10 DT H71 . 51036 1 87 . 1 . 1 10 10 DT H72 H 1 1.3353 0.0 . 1 . . . . . 10 DT H72 . 51036 1 88 . 1 . 1 10 10 DT H73 H 1 1.3353 0.0 . 1 . . . . . 10 DT H73 . 51036 1 89 . 1 . 1 10 10 DT C1' C 13 84.9307 0.0 . 1 . . . . . 10 DT C1' . 51036 1 90 . 1 . 1 10 10 DT C6 C 13 138.1865 0.0 . 1 . . . . . 10 DT C6 . 51036 1 91 . 1 . 1 11 11 DG H1 H 1 12.4564 0.0 . 1 . . . . . 11 DG H1 . 51036 1 92 . 1 . 1 11 11 DG H1' H 1 5.7986 0.0 . 1 . . . . . 11 DG H1' . 51036 1 93 . 1 . 1 11 11 DG H2'' H 1 2.6073 0.0 . 2 . . . . . 11 DG H2'' . 51036 1 94 . 1 . 1 11 11 DG H3' H 1 4.9313 0.0 . 1 . . . . . 11 DG H3' . 51036 1 95 . 1 . 1 11 11 DG H8 H 1 7.774 0.0 . 1 . . . . . 11 DG H8 . 51036 1 96 . 1 . 1 11 11 DG C1' C 13 84.3091 0.0 . 1 . . . . . 11 DG C1' . 51036 1 97 . 1 . 1 11 11 DG C8 C 13 138.1271 0.0 . 1 . . . . . 11 DG C8 . 51036 1 98 . 1 . 1 12 12 DC H1' H 1 5.8444 0.0 . 1 . . . . . 12 DC H1' . 51036 1 99 . 1 . 1 12 12 DC H3' H 1 4.6995 0.0 . 1 . . . . . 12 DC H3' . 51036 1 100 . 1 . 1 12 12 DC H5 H 1 5.2126 0.0 . 1 . . . . . 12 DC H5 . 51036 1 101 . 1 . 1 12 12 DC H6 H 1 7.3468 0.0 . 1 . . . . . 12 DC H6 . 51036 1 102 . 1 . 1 12 12 DC C1' C 13 86.8926 0.0 . 1 . . . . . 12 DC C1' . 51036 1 103 . 1 . 1 12 12 DC C6 C 13 139.8771 0.0 . 1 . . . . . 12 DC C6 . 51036 1 104 . 1 . 1 13 13 DT H1' H 1 5.6344 0.0 . 1 . . . . . 13 DT H1' . 51036 1 105 . 1 . 1 13 13 DT H3 H 1 13.6329 0.0 . 1 . . . . . 13 DT H3 . 51036 1 106 . 1 . 1 13 13 DT H3' H 1 4.8507 0.0 . 1 . . . . . 13 DT H3' . 51036 1 107 . 1 . 1 13 13 DT H6 H 1 7.3669 0.0 . 1 . . . . . 13 DT H6 . 51036 1 108 . 1 . 1 13 13 DT H71 H 1 1.6081 0.0 . 1 . . . . . 13 DT H71 . 51036 1 109 . 1 . 1 13 13 DT H72 H 1 1.6081 0.0 . 1 . . . . . 13 DT H72 . 51036 1 110 . 1 . 1 13 13 DT H73 H 1 1.6081 0.0 . 1 . . . . . 13 DT H73 . 51036 1 111 . 1 . 1 13 13 DT C1' C 13 85.6487 0.0 . 1 . . . . . 13 DT C1' . 51036 1 112 . 1 . 1 13 13 DT C6 C 13 139.6194 0.0 . 1 . . . . . 13 DT C6 . 51036 1 113 . 1 . 1 14 14 DA H1' H 1 6.1896 0.0 . 1 . . . . . 14 DA H1' . 51036 1 114 . 1 . 1 14 14 DA H2 H 1 7.5023 0.0 . 1 . . . . . 14 DA H2 . 51036 1 115 . 1 . 1 14 14 DA H2'' H 1 2.847 0.0 . 2 . . . . . 14 DA H2'' . 51036 1 116 . 1 . 1 14 14 DA H3' H 1 5.0155 0.0 . 1 . . . . . 14 DA H3' . 51036 1 117 . 1 . 1 14 14 DA H8 H 1 8.2899 0.0 . 1 . . . . . 14 DA H8 . 51036 1 118 . 1 . 1 14 14 DA C1' C 13 84.9813 0.0 . 1 . . . . . 14 DA C1' . 51036 1 119 . 1 . 1 14 14 DA C8 C 13 141.7378 0.0 . 1 . . . . . 14 DA C8 . 51036 1 120 . 1 . 1 15 15 DC H1' H 1 5.9006 0.0 . 1 . . . . . 15 DC H1' . 51036 1 121 . 1 . 1 15 15 DC H3' H 1 4.7577 0.0 . 1 . . . . . 15 DC H3' . 51036 1 122 . 1 . 1 15 15 DC H6 H 1 7.3358 0.0 . 1 . . . . . 15 DC H6 . 51036 1 123 . 1 . 1 15 15 DC C1' C 13 86.2346 0.0 . 1 . . . . . 15 DC C1' . 51036 1 124 . 1 . 1 15 15 DC C6 C 13 142.3829 0.0 . 1 . . . . . 15 DC C6 . 51036 1 125 . 1 . 1 16 16 DC H1' H 1 6.1972 0.0 . 1 . . . . . 16 DC H1' . 51036 1 126 . 1 . 1 16 16 DC H3' H 1 4.5244 0.0 . 1 . . . . . 16 DC H3' . 51036 1 127 . 1 . 1 16 16 DC H6 H 1 7.6174 0.0 . 1 . . . . . 16 DC H6 . 51036 1 128 . 1 . 1 16 16 DC C1' C 13 87.1783 0.0 . 1 . . . . . 16 DC C1' . 51036 1 129 . 1 . 1 16 16 DC C6 C 13 144.0952 0.0 . 1 . . . . . 16 DC C6 . 51036 1 130 . 2 . 2 1 1 DG H1' H 1 5.6804 0.0 . 1 . . . . . 1 DG H1' . 51036 1 131 . 2 . 2 1 1 DG H2' H 1 2.5402 0.0 . 2 . . . . . 1 DG H2' . 51036 1 132 . 2 . 2 1 1 DG H2'' H 1 2.665 0.0 . 2 . . . . . 1 DG H2'' . 51036 1 133 . 2 . 2 1 1 DG H3' H 1 4.7973 0.0 . 1 . . . . . 1 DG H3' . 51036 1 134 . 2 . 2 1 1 DG H8 H 1 7.8571 0.0 . 1 . . . . . 1 DG H8 . 51036 1 135 . 2 . 2 1 1 DG C1' C 13 84.8621 0.0 . 1 . . . . . 1 DG C1' . 51036 1 136 . 2 . 2 1 1 DG C8 C 13 139.0218 0.0 . 1 . . . . . 1 DG C8 . 51036 1 137 . 2 . 2 2 2 DG H1' H 1 5.9915 0.0 . 1 . . . . . 2 DG H1' . 51036 1 138 . 2 . 2 2 2 DG H2' H 1 2.635 0.0 . 2 . . . . . 2 DG H2' . 51036 1 139 . 2 . 2 2 2 DG H2'' H 1 2.7309 0.0 . 2 . . . . . 2 DG H2'' . 51036 1 140 . 2 . 2 2 2 DG H3' H 1 4.9553 0.0 . 1 . . . . . 2 DG H3' . 51036 1 141 . 2 . 2 2 2 DG H8 H 1 7.827 0.0 . 1 . . . . . 2 DG H8 . 51036 1 142 . 2 . 2 2 2 DG C1' C 13 84.8653 0.0 . 1 . . . . . 2 DG C1' . 51036 1 143 . 2 . 2 2 2 DG C8 C 13 138.1045 0.0 . 1 . . . . . 2 DG C8 . 51036 1 144 . 2 . 2 3 3 DT H1' H 1 5.6213 0.0 . 1 . . . . . 3 DT H1' . 51036 1 145 . 2 . 2 3 3 DT H2' H 1 2.0971 0.0 . 2 . . . . . 3 DT H2' . 51036 1 146 . 2 . 2 3 3 DT H2'' H 1 2.4049 0.0 . 2 . . . . . 3 DT H2'' . 51036 1 147 . 2 . 2 3 3 DT H3 H 1 13.4855 0.0 . 1 . . . . . 3 DT H3 . 51036 1 148 . 2 . 2 3 3 DT H3' H 1 4.858 0.0 . 1 . . . . . 3 DT H3' . 51036 1 149 . 2 . 2 3 3 DT H6 H 1 7.249 0.0 . 1 . . . . . 3 DT H6 . 51036 1 150 . 2 . 2 3 3 DT H71 H 1 1.421 0.0 . 1 . . . . . 3 DT H71 . 51036 1 151 . 2 . 2 3 3 DT H72 H 1 1.421 0.0 . 1 . . . . . 3 DT H72 . 51036 1 152 . 2 . 2 3 3 DT H73 H 1 1.421 0.0 . 1 . . . . . 3 DT H73 . 51036 1 153 . 2 . 2 3 3 DT C1' C 13 85.427 0.0 . 1 . . . . . 3 DT C1' . 51036 1 154 . 2 . 2 3 3 DT C6 C 13 138.685 0.0 . 1 . . . . . 3 DT C6 . 51036 1 155 . 2 . 2 4 4 DA H1' H 1 6.0499 0.0 . 1 . . . . . 4 DA H1' . 51036 1 156 . 2 . 2 4 4 DA H2 H 1 7.3649 0.0 . 1 . . . . . 4 DA H2 . 51036 1 157 . 2 . 2 4 4 DA H2' H 1 2.7004 0.0 . 2 . . . . . 4 DA H2' . 51036 1 158 . 2 . 2 4 4 DA H2'' H 1 2.8818 0.0 . 2 . . . . . 4 DA H2'' . 51036 1 159 . 2 . 2 4 4 DA H3' H 1 5.0426 0.0 . 1 . . . . . 4 DA H3' . 51036 1 160 . 2 . 2 4 4 DA H8 H 1 8.1582 0.0 . 1 . . . . . 4 DA H8 . 51036 1 161 . 2 . 2 4 4 DA C1' C 13 84.8478 0.0 . 1 . . . . . 4 DA C1' . 51036 1 162 . 2 . 2 4 4 DA C8 C 13 141.7879 0.0 . 1 . . . . . 4 DA C8 . 51036 1 163 . 2 . 2 5 5 DG H1 H 1 12.6922 0.0 . 1 . . . . . 5 DG H1 . 51036 1 164 . 2 . 2 5 5 DG H1' H 1 5.6605 0.0 . 1 . . . . . 5 DG H1' . 51036 1 165 . 2 . 2 5 5 DG H2' H 1 2.4447 0.0 . 2 . . . . . 5 DG H2' . 51036 1 166 . 2 . 2 5 5 DG H2'' H 1 2.5937 0.0 . 2 . . . . . 5 DG H2'' . 51036 1 167 . 2 . 2 5 5 DG H3' H 1 4.9271 0.0 . 1 . . . . . 5 DG H3' . 51036 1 168 . 2 . 2 5 5 DG H8 H 1 7.6059 0.0 . 1 . . . . . 5 DG H8 . 51036 1 169 . 2 . 2 5 5 DG C1' C 13 83.86 0.0 . 1 . . . . . 5 DG C1' . 51036 1 170 . 2 . 2 5 5 DG C8 C 13 137.205 0.0 . 1 . . . . . 5 DG C8 . 51036 1 171 . 2 . 2 6 6 DC H1' H 1 5.5746 0.0 . 1 . . . . . 6 DC H1' . 51036 1 172 . 2 . 2 6 6 DC H2' H 1 1.9723 0.0 . 2 . . . . . 6 DC H2' . 51036 1 173 . 2 . 2 6 6 DC H2'' H 1 2.3564 0.0 . 2 . . . . . 6 DC H2'' . 51036 1 174 . 2 . 2 6 6 DC H3' H 1 4.7718 0.0 . 1 . . . . . 6 DC H3' . 51036 1 175 . 2 . 2 6 6 DC H5 H 1 5.2069 0.0 . 1 . . . . . 6 DC H5 . 51036 1 176 . 2 . 2 6 6 DC H6 H 1 7.2272 0.0 . 1 . . . . . 6 DC H6 . 51036 1 177 . 2 . 2 6 6 DC C1' C 13 86.3697 0.0 . 1 . . . . . 6 DC C1' . 51036 1 178 . 2 . 2 6 6 DC C6 C 13 142.2478 0.0 . 1 . . . . . 6 DC C6 . 51036 1 179 . 2 . 2 7 7 DA H1' H 1 6.1633 0.0 . 1 . . . . . 7 DA H1' . 51036 1 180 . 2 . 2 7 7 DA H2 H 1 7.4982 0.0 . 1 . . . . . 7 DA H2 . 51036 1 181 . 2 . 2 7 7 DA H2' H 1 2.5916 0.0 . 2 . . . . . 7 DA H2' . 51036 1 182 . 2 . 2 7 7 DA H2'' H 1 2.8684 0.0 . 2 . . . . . 7 DA H2'' . 51036 1 183 . 2 . 2 7 7 DA H3' H 1 4.9539 0.0 . 1 . . . . . 7 DA H3' . 51036 1 184 . 2 . 2 7 7 DA H8 H 1 8.2041 0.0 . 1 . . . . . 7 DA H8 . 51036 1 185 . 2 . 2 7 7 DA C1' C 13 85.2534 0.0 . 1 . . . . . 7 DA C1' . 51036 1 186 . 2 . 2 7 7 DA C8 C 13 141.594 0.0 . 1 . . . . . 7 DA C8 . 51036 1 187 . 2 . 2 8 8 DT H1' H 1 5.5858 0.0 . 1 . . . . . 8 DT H1' . 51036 1 188 . 2 . 2 8 8 DT H2' H 1 1.9516 0.0 . 2 . . . . . 8 DT H2' . 51036 1 189 . 2 . 2 8 8 DT H2'' H 1 2.3528 0.0 . 2 . . . . . 8 DT H2'' . 51036 1 190 . 2 . 2 8 8 DT H3 H 1 13.2062 0.0 . 1 . . . . . 8 DT H3 . 51036 1 191 . 2 . 2 8 8 DT H3' H 1 4.8198 0.0 . 1 . . . . . 8 DT H3' . 51036 1 192 . 2 . 2 8 8 DT H6 H 1 7.0919 0.0 . 1 . . . . . 8 DT H6 . 51036 1 193 . 2 . 2 8 8 DT H71 H 1 1.384 0.0 . 1 . . . . . 8 DT H71 . 51036 1 194 . 2 . 2 8 8 DT H72 H 1 1.384 0.0 . 1 . . . . . 8 DT H72 . 51036 1 195 . 2 . 2 8 8 DT H73 H 1 1.384 0.0 . 1 . . . . . 8 DT H73 . 51036 1 196 . 2 . 2 8 8 DT C1' C 13 84.8236 0.0 . 1 . . . . . 8 DT C1' . 51036 1 197 . 2 . 2 8 8 DT C6 C 13 138.3444 0.0 . 1 . . . . . 8 DT C6 . 51036 1 198 . 2 . 2 9 9 DA H1' H 1 6.1191 0.0 . 1 . . . . . 9 DA H1' . 51036 1 199 . 2 . 2 9 9 DA H2 H 1 7.1998 0.0 . 1 . . . . . 9 DA H2 . 51036 1 200 . 2 . 2 9 9 DA H2' H 1 2.6091 0.0 . 2 . . . . . 9 DA H2' . 51036 1 201 . 2 . 2 9 9 DA H2'' H 1 2.8249 0.0 . 2 . . . . . 9 DA H2'' . 51036 1 202 . 2 . 2 9 9 DA H3' H 1 4.9865 0.0 . 1 . . . . . 9 DA H3' . 51036 1 203 . 2 . 2 9 9 DA H8 H 1 8.1651 0.0 . 1 . . . . . 9 DA H8 . 51036 1 204 . 2 . 2 9 9 DA C1' C 13 84.886 0.0 . 1 . . . . . 9 DA C1' . 51036 1 205 . 2 . 2 9 9 DA C8 C 13 141.6864 0.0 . 1 . . . . . 9 DA C8 . 51036 1 206 . 2 . 2 10 10 DC H1' H 1 5.5024 0.0 . 1 . . . . . 10 DC H1' . 51036 1 207 . 2 . 2 10 10 DC H2' H 1 1.9902 0.0 . 2 . . . . . 10 DC H2' . 51036 1 208 . 2 . 2 10 10 DC H2'' H 1 2.3649 0.0 . 2 . . . . . 10 DC H2'' . 51036 1 209 . 2 . 2 10 10 DC H3' H 1 4.7685 0.0 . 1 . . . . . 10 DC H3' . 51036 1 210 . 2 . 2 10 10 DC H5 H 1 5.2344 0.0 . 1 . . . . . 10 DC H5 . 51036 1 211 . 2 . 2 10 10 DC H6 H 1 7.2315 0.0 . 1 . . . . . 10 DC H6 . 51036 1 212 . 2 . 2 10 10 DC C1' C 13 85.9053 0.0 . 1 . . . . . 10 DC C1' . 51036 1 213 . 2 . 2 10 10 DC C6 C 13 142.2463 0.0 . 1 . . . . . 10 DC C6 . 51036 1 214 . 2 . 2 11 11 DA H1' H 1 6.1703 0.0 . 1 . . . . . 11 DA H1' . 51036 1 215 . 2 . 2 11 11 DA H2 H 1 7.4073 0.0 . 1 . . . . . 11 DA H2 . 51036 1 216 . 2 . 2 11 11 DA H2' H 1 2.6405 0.0 . 2 . . . . . 11 DA H2' . 51036 1 217 . 2 . 2 11 11 DA H2'' H 1 2.8896 0.0 . 2 . . . . . 11 DA H2'' . 51036 1 218 . 2 . 2 11 11 DA H3' H 1 4.9715 0.0 . 1 . . . . . 11 DA H3' . 51036 1 219 . 2 . 2 11 11 DA H8 H 1 8.1557 0.0 . 1 . . . . . 11 DA H8 . 51036 1 220 . 2 . 2 11 11 DA C1' C 13 85.2965 0.0 . 1 . . . . . 11 DA C1' . 51036 1 221 . 2 . 2 11 11 DA C8 C 13 141.7886 0.0 . 1 . . . . . 11 DA C8 . 51036 1 222 . 2 . 2 12 12 DT H1' H 1 5.9114 0.0 . 1 . . . . . 12 DT H1' . 51036 1 223 . 2 . 2 12 12 DT H2' H 1 1.9767 0.0 . 2 . . . . . 12 DT H2' . 51036 1 224 . 2 . 2 12 12 DT H3 H 1 13.6424 0.0 . 1 . . . . . 12 DT H3 . 51036 1 225 . 2 . 2 12 12 DT H3' H 1 4.8453 0.0 . 1 . . . . . 12 DT H3' . 51036 1 226 . 2 . 2 12 12 DT H6 H 1 7.1585 0.0 . 1 . . . . . 12 DT H6 . 51036 1 227 . 2 . 2 12 12 DT H71 H 1 1.2884 0.0 . 1 . . . . . 12 DT H71 . 51036 1 228 . 2 . 2 12 12 DT H72 H 1 1.2884 0.0 . 1 . . . . . 12 DT H72 . 51036 1 229 . 2 . 2 12 12 DT H73 H 1 1.2884 0.0 . 1 . . . . . 12 DT H73 . 51036 1 230 . 2 . 2 12 12 DT C1' C 13 85.1397 0.0 . 1 . . . . . 12 DT C1' . 51036 1 231 . 2 . 2 12 12 DT C6 C 13 138.4227 0.0 . 1 . . . . . 12 DT C6 . 51036 1 232 . 2 . 2 13 13 DT H1' H 1 5.7406 0.0 . 1 . . . . . 13 DT H1' . 51036 1 233 . 2 . 2 13 13 DT H3 H 1 13.5176 0.0 . 1 . . . . . 13 DT H3 . 51036 1 234 . 2 . 2 13 13 DT H3' H 1 4.8814 0.0 . 1 . . . . . 13 DT H3' . 51036 1 235 . 2 . 2 13 13 DT H6 H 1 7.3405 0.0 . 1 . . . . . 13 DT H6 . 51036 1 236 . 2 . 2 13 13 DT H71 H 1 1.6113 0.0 . 1 . . . . . 13 DT H71 . 51036 1 237 . 2 . 2 13 13 DT H72 H 1 1.6113 0.0 . 1 . . . . . 13 DT H72 . 51036 1 238 . 2 . 2 13 13 DT H73 H 1 1.6113 0.0 . 1 . . . . . 13 DT H73 . 51036 1 239 . 2 . 2 13 13 DT C1' C 13 85.2021 0.0 . 1 . . . . . 13 DT C1' . 51036 1 240 . 2 . 2 14 14 DA H1' H 1 6.1536 0.0 . 1 . . . . . 14 DA H1' . 51036 1 241 . 2 . 2 14 14 DA H3' H 1 5.0149 0.0 . 1 . . . . . 14 DA H3' . 51036 1 242 . 2 . 2 14 14 DA H8 H 1 8.2868 0.0 . 1 . . . . . 14 DA H8 . 51036 1 243 . 2 . 2 14 14 DA C1' C 13 84.9574 0.0 . 1 . . . . . 14 DA C1' . 51036 1 244 . 2 . 2 14 14 DA C8 C 13 141.8863 0.0 . 1 . . . . . 14 DA C8 . 51036 1 245 . 2 . 2 15 15 DC H1' H 1 5.6213 0.0 . 1 . . . . . 15 DC H1' . 51036 1 246 . 2 . 2 15 15 DC H2' H 1 1.8354 0.0 . 2 . . . . . 15 DC H2' . 51036 1 247 . 2 . 2 15 15 DC H2'' H 1 2.2617 0.0 . 2 . . . . . 15 DC H2'' . 51036 1 248 . 2 . 2 15 15 DC H3' H 1 4.7804 0.0 . 1 . . . . . 15 DC H3' . 51036 1 249 . 2 . 2 15 15 DC H6 H 1 7.2562 0.0 . 1 . . . . . 15 DC H6 . 51036 1 250 . 2 . 2 15 15 DC C1' C 13 86.118 0.0 . 1 . . . . . 15 DC C1' . 51036 1 251 . 2 . 2 15 15 DC C6 C 13 142.4926 0.0 . 1 . . . . . 15 DC C6 . 51036 1 252 . 2 . 2 16 16 DG H1' H 1 6.1174 0.0 . 1 . . . . . 16 DG H1' . 51036 1 253 . 2 . 2 16 16 DG H2' H 1 2.331 0.0 . 2 . . . . . 16 DG H2' . 51036 1 254 . 2 . 2 16 16 DG H2'' H 1 2.5646 0.0 . 2 . . . . . 16 DG H2'' . 51036 1 255 . 2 . 2 16 16 DG H3' H 1 4.6443 0.0 . 1 . . . . . 16 DG H3' . 51036 1 256 . 2 . 2 16 16 DG H8 H 1 7.8797 0.0 . 1 . . . . . 16 DG H8 . 51036 1 257 . 2 . 2 16 16 DG C1' C 13 84.8875 0.0 . 1 . . . . . 16 DG C1' . 51036 1 258 . 2 . 2 16 16 DG C8 C 13 139.2873 0.0 . 1 . . . . . 16 DG C8 . 51036 1 stop_ save_