data_5671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5671 _Entry.Title ; Overall structure and sugar dynamics of a DNA dodecamer from homo and heteronuclear dipolar couplings and 31P chemical shift anisotropy ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-23 _Entry.Accession_date 2003-01-23 _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 . _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 W. Zhengrong . . . 5671 2 F. Delaglio . . . 5671 3 N. Tjandra . . . 5671 4 V. Zhurkin . . . 5671 5 A. Bax . . . 5671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5671 coupling_constants 2 5671 RDCs 2 5671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '31P chemical shifts' 22 5671 'coupling constants' 22 5671 'residual dipolar couplings' 636 5671 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 . . 2010-07-16 2003-01-23 update BMRB 'update DNA residue label to two-letter code' 5671 1 . . 2003-11-11 2003-01-23 original author 'original release' 5671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1NAJ 'BMRB Entry Tracking System' 5671 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5671 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22699281 _Citation.DOI . _Citation.PubMed_ID 12815257 _Citation.Full_citation . _Citation.Title ; Overall Structure and Sugar Dynamics of a DNA Dodecamer from Homo- and Heteronuclear Dipolar Couplings and 31P Chemical Shift Anisotropy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _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 297 _Citation.Page_last 315 _Citation.Year 2003 _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 Z. Wu . . . 5671 1 2 F. Delaglio . . . 5671 1 3 N. Tjandra . . . 5671 1 4 V. Zhurkin . B. . 5671 1 5 A. Bax . . . 5671 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Dickerson Dodecamer' 5671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Dodecamer _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Dodecamer _Assembly.Entry_ID 5671 _Assembly.ID 1 _Assembly.Name 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*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 '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 dimer 5671 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 'Dodecamer, chain A' 1 $Dodecamer . . . native . . . . . 5671 1 2 'Dodecamer, chain B' 1 $Dodecamer . . . native . . . . . 5671 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 1NAJ . . . . . . 5671 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' system 5671 1 Dodecamer abbreviation 5671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dodecamer _Entity.Sf_category entity _Entity.Sf_framecode Dodecamer _Entity.Entry_ID 5671 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dodecamer _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 CGCGAATTCGCG _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 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Dodecamer abbreviation 5671 1 Dodecamer common 5671 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 . DC . 5671 1 2 . DG . 5671 1 3 . DC . 5671 1 4 . DG . 5671 1 5 . DA . 5671 1 6 . DA . 5671 1 7 . DT . 5671 1 8 . DT . 5671 1 9 . DC . 5671 1 10 . DG . 5671 1 11 . DC . 5671 1 12 . DG . 5671 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 5671 1 . DG 2 2 5671 1 . DC 3 3 5671 1 . DG 4 4 5671 1 . DA 5 5 5671 1 . DA 6 6 5671 1 . DT 7 7 5671 1 . DT 8 8 5671 1 . DC 9 9 5671 1 . DG 10 10 5671 1 . DC 11 11 5671 1 . DG 12 12 5671 1 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 5671 _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 $Dodecamer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5671 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 5671 _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 $Dodecamer . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5671 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5671 _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 Dodecamer . . . 1 $Dodecamer . . 0.5 . . mM . . . . 5671 1 2 'sodium phosphate' . . . . . . . 40 . . mM . . . . 5671 1 3 NaN3 . . . . . . . 0.04 . . % . . . . 5671 1 4 'DMPC/DHPC/CTAB (30/10/1)' . . . . . . . 5 . . % . . . . 5671 1 5 D2O . . . . . . . 100 . . % . . . . 5671 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5671 _Sample.ID 2 _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 Dodecamer '[U-13C; U-15N]' . . 1 $Dodecamer . . 0.5 . . mM . . . . 5671 2 2 'sodium phosphate' . . . . . . . 40 . . mM . . . . 5671 2 3 NaN3 . . . . . . . 0.04 . . % . . . . 5671 2 4 'pf1 phage' . . . . . . . 20 . . mg/mL . . . . 5671 2 5 D2O . . . . . . . 10 . . % . . . . 5671 2 6 H2O . . . . . . . 90 . . % . . . . 5671 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5671 _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' 40 . mM 5671 1 pH 7.0 . n/a 5671 1 pressure 1 . atm 5671 1 temperature 308 . K 5671 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5671 _Software.ID 1 _Software.Name NMRPipe _Software.Version '1.7 REV 1999.039.11.31' _Software.Details 'Delaglio, Frank' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5671 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5671 _Software.ID 2 _Software.Name xwinnmr _Software.Version '2.4 and 2.6' _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5671 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5671 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.841 _Software.Details BRUNGER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5671 3 stop_ save_ save_CosyView _Software.Sf_category software _Software.Sf_framecode CosyView _Software.Entry_ID 5671 _Software.ID 4 _Software.Name CosyView _Software.Version . _Software.Details 'Delaglio, Frank' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5671 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5671 _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 Bruker AVANCE . 800 . . . 5671 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 5671 _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 H-31P-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1 2 'HP-ctNOESY-DIF COSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1 3 COSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1 4 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1 5 13C-HSQC-J-MODULATED . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1 6 3C-HSQC-F1-COUPLED . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1 7 15N-HSQC-F1-COUPLED . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5671 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5671 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name H-31P-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5671 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'HP-ctNOESY-DIF COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5671 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5671 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5671 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 13C-HSQC-J-MODULATED _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5671 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3C-HSQC-F1-COUPLED _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5671 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 15N-HSQC-F1-COUPLED _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5671 _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 P 31 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 5671 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5671 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5671 1 . . 2 $sample_2 . 5671 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 2 2 DG P P 31 -8.447 2.0 . . . . . . . . . . 5671 1 2 . 1 1 3 3 DC P P 31 -9.414 2.0 . . . . . . . . . . 5671 1 3 . 1 1 4 4 DG P P 31 -20.919 2.0 . . . . . . . . . . 5671 1 4 . 1 1 5 5 DA P P 31 -45.291 2.0 . . . . . . . . . . 5671 1 5 . 1 1 6 6 DA P P 31 -18.054 2.0 . . . . . . . . . . 5671 1 6 . 1 1 7 7 DT P P 31 34.758 2.0 . . . . . . . . . . 5671 1 7 . 1 1 8 8 DT P P 31 47.785 2.0 . . . . . . . . . . 5671 1 8 . 1 1 9 9 DC P P 31 52.721 2.0 . . . . . . . . . . 5671 1 9 . 1 1 10 10 DG P P 31 39.862 2.0 . . . . . . . . . . 5671 1 10 . 1 1 11 11 DC P P 31 51.021 2.0 . . . . . . . . . . 5671 1 11 . 1 1 12 12 DG P P 31 47.102 2.0 . . . . . . . . . . 5671 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5671 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5671 2 . . 2 $sample_2 . 5671 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 1 2 2 DG P P 31 -8.447 2.0 . . . . . . . . . . 5671 2 2 . 2 1 3 3 DC P P 31 -9.414 2.0 . . . . . . . . . . 5671 2 3 . 2 1 4 4 DG P P 31 -20.919 2.0 . . . . . . . . . . 5671 2 4 . 2 1 5 5 DA P P 31 -45.291 2.0 . . . . . . . . . . 5671 2 5 . 2 1 6 6 DA P P 31 -18.054 2.0 . . . . . . . . . . 5671 2 6 . 2 1 7 7 DT P P 31 34.758 2.0 . . . . . . . . . . 5671 2 7 . 2 1 8 8 DT P P 31 47.785 2.0 . . . . . . . . . . 5671 2 8 . 2 1 9 9 DC P P 31 52.721 2.0 . . . . . . . . . . 5671 2 9 . 2 1 10 10 DG P P 31 39.862 2.0 . . . . . . . . . . 5671 2 10 . 2 1 11 11 DC P P 31 51.021 2.0 . . . . . . . . . . 5671 2 11 . 2 1 12 12 DG P P 31 47.102 2.0 . . . . . . . . . . 5671 2 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 5671 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5671 1 . . 2 $sample_2 . 5671 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JH3'P(i+1) . 1 1 1 1 DC H3' H 1 . . 1 1 2 2 DG P P 31 . 2.140 . . 0.150 . . . . . . . . . . . 5671 1 2 3JH3'P(i+1) . 1 1 2 2 DG H3' H 1 . . 1 1 3 3 DC P P 31 . 2.460 . . 0.110 . . . . . . . . . . . 5671 1 3 3JH3'P(i+1) . 1 1 3 3 DC H3' H 1 . . 1 1 4 4 DG P P 31 . 1.660 . . 0.180 . . . . . . . . . . . 5671 1 4 3JH3'P(i+1) . 1 1 4 4 DG H3' H 1 . . 1 1 5 5 DA P P 31 . 1.500 . . 0.120 . . . . . . . . . . . 5671 1 5 3JH3'P(i+1) . 1 1 5 5 DA H3' H 1 . . 1 1 6 6 DA P P 31 . 2.260 . . 0.140 . . . . . . . . . . . 5671 1 6 3JH3'P(i+1) . 1 1 6 6 DA H3' H 1 . . 1 1 7 7 DT P P 31 . 2.200 . . 0.190 . . . . . . . . . . . 5671 1 7 3JH3'P(i+1) . 1 1 7 7 DT H3' H 1 . . 1 1 8 8 DT P P 31 . 1.640 . . 0.190 . . . . . . . . . . . 5671 1 8 3JH3'P(i+1) . 1 1 8 8 DT H3' H 1 . . 1 1 9 9 DC P P 31 . 0.270 . . 0.190 . . . . . . . . . . . 5671 1 9 3JH3'P(i+1) . 1 1 9 9 DC H3' H 1 . . 1 1 10 10 DG P P 31 . -0.570 . . 0.190 . . . . . . . . . . . 5671 1 10 3JH3'P(i+1) . 1 1 10 10 DG H3' H 1 . . 1 1 11 11 DC P P 31 . -0.780 . . 0.150 . . . . . . . . . . . 5671 1 11 3JH3'P(i+1) . 1 1 11 11 DC H3' H 1 . . 1 1 12 12 DG P P 31 . 0.770 . . 0.140 . . . . . . . . . . . 5671 1 stop_ save_ save_coupling_constants_set_2 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_2 _Coupling_constant_list.Entry_ID 5671 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5671 2 . . 2 $sample_2 . 5671 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JH3'P(i+1) . 2 1 1 1 DC H3' H 1 . . 2 1 2 2 DG P P 31 . 2.140 . . 0.150 . . . . . . . . . . . 5671 2 2 3JH3'P(i+1) . 2 1 2 2 DG H3' H 1 . . 2 1 3 3 DC P P 31 . 2.460 . . 0.110 . . . . . . . . . . . 5671 2 3 3JH3'P(i+1) . 2 1 3 3 DC H3' H 1 . . 2 1 4 4 DG P P 31 . 1.660 . . 0.180 . . . . . . . . . . . 5671 2 4 3JH3'P(i+1) . 2 1 4 4 DG H3' H 1 . . 2 1 5 5 DA P P 31 . 1.500 . . 0.120 . . . . . . . . . . . 5671 2 5 3JH3'P(i+1) . 2 1 5 5 DA H3' H 1 . . 2 1 6 6 DA P P 31 . 2.260 . . 0.140 . . . . . . . . . . . 5671 2 6 3JH3'P(i+1) . 2 1 6 6 DA H3' H 1 . . 2 1 7 7 DT P P 31 . 2.200 . . 0.190 . . . . . . . . . . . 5671 2 7 3JH3'P(i+1) . 2 1 7 7 DT H3' H 1 . . 2 1 8 8 DT P P 31 . 1.640 . . 0.190 . . . . . . . . . . . 5671 2 8 3JH3'P(i+1) . 2 1 8 8 DT H3' H 1 . . 2 1 9 9 DC P P 31 . 0.270 . . 0.190 . . . . . . . . . . . 5671 2 9 3JH3'P(i+1) . 2 1 9 9 DC H3' H 1 . . 2 1 10 10 DG P P 31 . -0.570 . . 0.190 . . . . . . . . . . . 5671 2 10 3JH3'P(i+1) . 2 1 10 10 DG H3' H 1 . . 2 1 11 11 DC P P 31 . -0.780 . . 0.150 . . . . . . . . . . . 5671 2 11 3JH3'P(i+1) . 2 1 11 11 DC H3' H 1 . . 2 1 12 12 DG P P 31 . 0.770 . . 0.140 . . . . . . . . . . . 5671 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_residual_dipolar_couplings_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_1 _RDC_list.Entry_ID 5671 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 800 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 1 $sample_1 . 5671 1 . . 2 $sample_2 . 5671 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC C6 C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 1 2 . . 1 1 1 1 DC H5 H 1 . . 1 1 1 1 DC C5 C 13 . 14.53 . . 0.200 . . . . . . . . . . . 5671 1 3 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG C8 C 13 . 6.95 . . 0.200 . . . . . . . . . . . 5671 1 4 . . 1 1 3 3 DC H6 H 1 . . 1 1 3 3 DC C6 C 13 . 17.95 . . 0.200 . . . . . . . . . . . 5671 1 5 . . 1 1 3 3 DC H5 H 1 . . 1 1 3 3 DC C5 C 13 . 4.26 . . 0.200 . . . . . . . . . . . 5671 1 6 . . 1 1 4 4 DG H8 H 1 . . 1 1 4 4 DG C8 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 1 7 . . 1 1 5 5 DA H2 H 1 . . 1 1 5 5 DA C2 C 13 . 21.36 . . 0.200 . . . . . . . . . . . 5671 1 8 . . 1 1 5 5 DA H8 H 1 . . 1 1 5 5 DA C8 C 13 . 22.31 . . 0.200 . . . . . . . . . . . 5671 1 9 . . 1 1 6 6 DA H2 H 1 . . 1 1 6 6 DA C2 C 13 . 22.99 . . 0.200 . . . . . . . . . . . 5671 1 10 . . 1 1 6 6 DA H8 H 1 . . 1 1 6 6 DA C8 C 13 . 17.73 . . 0.200 . . . . . . . . . . . 5671 1 11 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT C6 C 13 . 10.68 . . 0.200 . . . . . . . . . . . 5671 1 12 . . 1 1 8 8 DT H6 H 1 . . 1 1 8 8 DT C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 1 13 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 1 14 . . 1 1 9 9 DC H5 H 1 . . 1 1 9 9 DC C5 C 13 . 8.73 . . 0.200 . . . . . . . . . . . 5671 1 15 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG C8 C 13 . 19.93 . . 0.200 . . . . . . . . . . . 5671 1 16 . . 1 1 11 11 DC H6 H 1 . . 1 1 11 11 DC C6 C 13 . 10.86 . . 0.200 . . . . . . . . . . . 5671 1 17 . . 1 1 11 11 DC H5 H 1 . . 1 1 11 11 DC C5 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 1 18 . . 1 1 12 12 DG H8 H 1 . . 1 1 12 12 DG C8 C 13 . 2.42 . . 0.200 . . . . . . . . . . . 5671 1 19 . . 1 1 1 1 DC H2'' H 1 . . 1 1 1 1 DC C2' C 13 . 1.03 . . 0.200 . . . . . . . . . . . 5671 1 20 . . 1 1 2 2 DG H2'' H 1 . . 1 1 2 2 DG C2' C 13 . -17.53 . . 0.200 . . . . . . . . . . . 5671 1 21 . . 1 1 3 3 DC H2'' H 1 . . 1 1 3 3 DC C2' C 13 . -8.42 . . 0.200 . . . . . . . . . . . 5671 1 22 . . 1 1 4 4 DG H2'' H 1 . . 1 1 4 4 DG C2' C 13 . -24.41 . . 0.200 . . . . . . . . . . . 5671 1 23 . . 1 1 5 5 DA H2'' H 1 . . 1 1 5 5 DA C2' C 13 . -14.19 . . 0.200 . . . . . . . . . . . 5671 1 24 . . 1 1 6 6 DA H2'' H 1 . . 1 1 6 6 DA C2' C 13 . -16.15 . . 0.200 . . . . . . . . . . . 5671 1 25 . . 1 1 9 9 DC H2'' H 1 . . 1 1 9 9 DC C2' C 13 . -18.20 . . 0.200 . . . . . . . . . . . 5671 1 26 . . 1 1 10 10 DG H2'' H 1 . . 1 1 10 10 DG C2' C 13 . -23.86 . . 0.200 . . . . . . . . . . . 5671 1 27 . . 1 1 11 11 DC H2'' H 1 . . 1 1 11 11 DC C2' C 13 . -1.17 . . 0.200 . . . . . . . . . . . 5671 1 28 . . 1 1 12 12 DG H2'' H 1 . . 1 1 12 12 DG C2' C 13 . -4.84 . . 0.200 . . . . . . . . . . . 5671 1 29 . . 1 1 1 1 DC H5' H 1 . . 1 1 1 1 DC C5' C 13 . -5.57 . . 0.200 . . . . . . . . . . . 5671 1 30 . . 1 1 2 2 DG H5' H 1 . . 1 1 2 2 DG C5' C 13 . -20.71 . . 0.200 . . . . . . . . . . . 5671 1 31 . . 1 1 4 4 DG H5' H 1 . . 1 1 4 4 DG C5' C 13 . -22.05 . . 0.200 . . . . . . . . . . . 5671 1 32 . . 1 1 5 5 DA H5' H 1 . . 1 1 5 5 DA C5' C 13 . -18.57 . . 0.200 . . . . . . . . . . . 5671 1 33 . . 1 1 6 6 DA H5' H 1 . . 1 1 6 6 DA C5' C 13 . -21.86 . . 0.200 . . . . . . . . . . . 5671 1 34 . . 1 1 7 7 DT H5' H 1 . . 1 1 7 7 DT C5' C 13 . -20.23 . . 0.200 . . . . . . . . . . . 5671 1 35 . . 1 1 9 9 DC H5' H 1 . . 1 1 9 9 DC C5' C 13 . -32.09 . . 0.200 . . . . . . . . . . . 5671 1 36 . . 1 1 10 10 DG H5' H 1 . . 1 1 10 10 DG C5' C 13 . -25.94 . . 0.200 . . . . . . . . . . . 5671 1 37 . . 1 1 12 12 DG H5' H 1 . . 1 1 12 12 DG C5' C 13 . -28.56 . . 0.200 . . . . . . . . . . . 5671 1 38 . . 1 1 2 2 DG H1 H 1 . . 1 1 2 2 DG N1 N 15 . 7.26 . . 0.200 . . . . . . . . . . . 5671 1 39 . . 1 1 4 4 DG H1 H 1 . . 1 1 4 4 DG N1 N 15 . 12.94 . . 0.200 . . . . . . . . . . . 5671 1 40 . . 1 1 7 7 DT H3 H 1 . . 1 1 7 7 DT N3 N 15 . 4.72 . . 0.200 . . . . . . . . . . . 5671 1 41 . . 1 1 8 8 DT H3 H 1 . . 1 1 8 8 DT N3 N 15 . 9.82 . . 0.200 . . . . . . . . . . . 5671 1 42 . . 1 1 10 10 DG H1 H 1 . . 1 1 10 10 DG N1 N 15 . 7.11 . . 0.200 . . . . . . . . . . . 5671 1 43 . . 1 1 7 7 DT C5 C . . . 1 1 7 7 DT C7 C 13 . 14.82 . . 0.200 . . . . . . . . . . . 5671 1 44 . . 1 1 8 8 DT C5 C . . . 1 1 8 8 DT C7 C 13 . 11.03 . . 0.200 . . . . . . . . . . . 5671 1 45 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC C1' C 13 . 2.01 . . 0.200 . . . . . . . . . . . 5671 1 46 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG C1' C 13 . 8.50 . . 0.200 . . . . . . . . . . . 5671 1 47 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC C1' C 13 . 0.48 . . 0.200 . . . . . . . . . . . 5671 1 48 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG C1' C 13 . 13.61 . . 0.200 . . . . . . . . . . . 5671 1 49 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA C1' C 13 . 18.58 . . 0.200 . . . . . . . . . . . 5671 1 50 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA C1' C 13 . 16.15 . . 0.200 . . . . . . . . . . . 5671 1 51 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT C1' C 13 . 9.97 . . 0.200 . . . . . . . . . . . 5671 1 52 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT C1' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 1 53 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC C1' C 13 . 8.16 . . 0.200 . . . . . . . . . . . 5671 1 54 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG C1' C 13 . 15.25 . . 0.200 . . . . . . . . . . . 5671 1 55 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC C1' C 13 . 14.19 . . 0.200 . . . . . . . . . . . 5671 1 56 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG C1' C 13 . 11.02 . . 0.200 . . . . . . . . . . . 5671 1 57 . . 1 1 1 1 DC H2' H 1 . . 1 1 1 1 DC C2' C 13 . 5.25 . . 0.200 . . . . . . . . . . . 5671 1 58 . . 1 1 2 2 DG H2' H 1 . . 1 1 2 2 DG C2' C 13 . 10.83 . . 0.200 . . . . . . . . . . . 5671 1 59 . . 1 1 3 3 DC H2' H 1 . . 1 1 3 3 DC C2' C 13 . -8.43 . . 0.200 . . . . . . . . . . . 5671 1 60 . . 1 1 4 4 DG H2' H 1 . . 1 1 4 4 DG C2' C 13 . 9.98 . . 0.200 . . . . . . . . . . . 5671 1 61 . . 1 1 5 5 DA H2' H 1 . . 1 1 5 5 DA C2' C 13 . 12.07 . . 0.200 . . . . . . . . . . . 5671 1 62 . . 1 1 6 6 DA H2' H 1 . . 1 1 6 6 DA C2' C 13 . 16.24 . . 0.200 . . . . . . . . . . . 5671 1 63 . . 1 1 7 7 DT H2' H 1 . . 1 1 7 7 DT C2' C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 1 64 . . 1 1 8 8 DT H2' H 1 . . 1 1 8 8 DT C2' C 13 . 8.65 . . 0.200 . . . . . . . . . . . 5671 1 65 . . 1 1 9 9 DC H2' H 1 . . 1 1 9 9 DC C2' C 13 . 3.38 . . 0.200 . . . . . . . . . . . 5671 1 66 . . 1 1 10 10 DG H2' H 1 . . 1 1 10 10 DG C2' C 13 . 15.15 . . 0.200 . . . . . . . . . . . 5671 1 67 . . 1 1 11 11 DC H2' H 1 . . 1 1 11 11 DC C2' C 13 . 12.74 . . 0.200 . . . . . . . . . . . 5671 1 68 . . 1 1 12 12 DG H2' H 1 . . 1 1 12 12 DG C2' C 13 . 11.72 . . 0.200 . . . . . . . . . . . 5671 1 69 . . 1 1 1 1 DC H3' H 1 . . 1 1 1 1 DC C3' C 13 . -5.99 . . 0.200 . . . . . . . . . . . 5671 1 70 . . 1 1 2 2 DG H3' H 1 . . 1 1 2 2 DG C3' C 13 . 6.05 . . 0.200 . . . . . . . . . . . 5671 1 71 . . 1 1 3 3 DC H3' H 1 . . 1 1 3 3 DC C3' C 13 . -0.01 . . 0.200 . . . . . . . . . . . 5671 1 72 . . 1 1 4 4 DG H3' H 1 . . 1 1 4 4 DG C3' C 13 . 18.65 . . 0.200 . . . . . . . . . . . 5671 1 73 . . 1 1 5 5 DA H3' H 1 . . 1 1 5 5 DA C3' C 13 . 15.87 . . 0.200 . . . . . . . . . . . 5671 1 74 . . 1 1 6 6 DA H3' H 1 . . 1 1 6 6 DA C3' C 13 . 12.84 . . 0.200 . . . . . . . . . . . 5671 1 75 . . 1 1 7 7 DT H3' H 1 . . 1 1 7 7 DT C3' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 1 76 . . 1 1 8 8 DT H3' H 1 . . 1 1 8 8 DT C3' C 13 . 15.48 . . 0.200 . . . . . . . . . . . 5671 1 77 . . 1 1 9 9 DC H3' H 1 . . 1 1 9 9 DC C3' C 13 . 17.76 . . 0.200 . . . . . . . . . . . 5671 1 78 . . 1 1 10 10 DG H3' H 1 . . 1 1 10 10 DG C3' C 13 . 22.00 . . 0.200 . . . . . . . . . . . 5671 1 79 . . 1 1 11 11 DC H3' H 1 . . 1 1 11 11 DC C3' C 13 . 7.73 . . 0.200 . . . . . . . . . . . 5671 1 80 . . 1 1 12 12 DG H3' H 1 . . 1 1 12 12 DG C3' C 13 . 3.39 . . 0.200 . . . . . . . . . . . 5671 1 81 . . 1 1 1 1 DC H4' H 1 . . 1 1 1 1 DC C4' C 13 . 3.41 . . 0.200 . . . . . . . . . . . 5671 1 82 . . 1 1 2 2 DG H4' H 1 . . 1 1 2 2 DG C4' C 13 . 6.40 . . 0.200 . . . . . . . . . . . 5671 1 83 . . 1 1 3 3 DC H4' H 1 . . 1 1 3 3 DC C4' C 13 . -1.00 . . 0.200 . . . . . . . . . . . 5671 1 84 . . 1 1 4 4 DG H4' H 1 . . 1 1 4 4 DG C4' C 13 . -4.77 . . 0.200 . . . . . . . . . . . 5671 1 85 . . 1 1 5 5 DA H4' H 1 . . 1 1 5 5 DA C4' C 13 . -4.40 . . 0.200 . . . . . . . . . . . 5671 1 86 . . 1 1 6 6 DA H4' H 1 . . 1 1 6 6 DA C4' C 13 . 5.09 . . 0.200 . . . . . . . . . . . 5671 1 87 . . 1 1 7 7 DT H4' H 1 . . 1 1 7 7 DT C4' C 13 . 7.02 . . 0.200 . . . . . . . . . . . 5671 1 88 . . 1 1 8 8 DT H4' H 1 . . 1 1 8 8 DT C4' C 13 . 7.05 . . 0.200 . . . . . . . . . . . 5671 1 89 . . 1 1 9 9 DC H4' H 1 . . 1 1 9 9 DC C4' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 1 90 . . 1 1 10 10 DG H4' H 1 . . 1 1 10 10 DG C4' C 13 . 9.86 . . 0.200 . . . . . . . . . . . 5671 1 91 . . 1 1 11 11 DC H4' H 1 . . 1 1 11 11 DC C4' C 13 . 16.00 . . 0.200 . . . . . . . . . . . 5671 1 92 . . 1 1 12 12 DG H4' H 1 . . 1 1 12 12 DG C4' C 13 . 13.79 . . 0.200 . . . . . . . . . . . 5671 1 93 . . 1 1 1 1 DC H5'' H 1 . . 1 1 1 1 DC C5' C 13 . 1.71 . . 0.200 . . . . . . . . . . . 5671 1 94 . . 1 1 2 2 DG H5'' H 1 . . 1 1 2 2 DG C5' C 13 . 15.03 . . 0.200 . . . . . . . . . . . 5671 1 95 . . 1 1 3 3 DC H5'' H 1 . . 1 1 3 3 DC C5' C 13 . 18.80 . . 0.200 . . . . . . . . . . . 5671 1 96 . . 1 1 4 4 DG H5'' H 1 . . 1 1 4 4 DG C5' C 13 . 16.08 . . 0.200 . . . . . . . . . . . 5671 1 97 . . 1 1 5 5 DA H5'' H 1 . . 1 1 5 5 DA C5' C 13 . 9.09 . . 0.200 . . . . . . . . . . . 5671 1 98 . . 1 1 6 6 DA H5'' H 1 . . 1 1 6 6 DA C5' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 1 99 . . 1 1 7 7 DT H5'' H 1 . . 1 1 7 7 DT C5' C 13 . 17.22 . . 0.200 . . . . . . . . . . . 5671 1 100 . . 1 1 8 8 DT H5'' H 1 . . 1 1 8 8 DT C5' C 13 . 14.09 . . 0.200 . . . . . . . . . . . 5671 1 101 . . 1 1 9 9 DC H5'' H 1 . . 1 1 9 9 DC C5' C 13 . 15.59 . . 0.200 . . . . . . . . . . . 5671 1 102 . . 1 1 10 10 DG H5'' H 1 . . 1 1 10 10 DG C5' C 13 . 9.92 . . 0.200 . . . . . . . . . . . 5671 1 103 . . 1 1 11 11 DC H5'' H 1 . . 1 1 11 11 DC C5' C 13 . 13.95 . . 0.200 . . . . . . . . . . . 5671 1 104 . . 1 1 12 12 DG H5'' H 1 . . 1 1 12 12 DG C5' C 13 . 7.71 . . 0.200 . . . . . . . . . . . 5671 1 105 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H2' H 1 . -4.700 . . 1.000 . . . . . . . . . . . 5671 1 106 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H2' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 1 107 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H2' H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 1 108 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H2' H 1 . 0.500 . . 1.000 . . . . . . . . . . . 5671 1 109 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA H2' H 1 . 1.000 . . 1.000 . . . . . . . . . . . 5671 1 110 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 1 111 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H2' H 1 . -1.100 . . 1.000 . . . . . . . . . . . 5671 1 112 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 1 113 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC H2' H 1 . -0.500 . . 1.000 . . . . . . . . . . . 5671 1 114 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H2' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 1 115 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 1 116 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H2' H 1 . -4.000 . . 1.000 . . . . . . . . . . . 5671 1 117 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H2'' H 1 . -9.900 . . 1.000 . . . . . . . . . . . 5671 1 118 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H2'' H 1 . -9.600 . . 1.000 . . . . . . . . . . . 5671 1 119 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H2'' H 1 . -8.900 . . 1.000 . . . . . . . . . . . 5671 1 120 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H2'' H 1 . -4.700 . . 2.000 . . . . . . . . . . . 5671 1 121 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA H2'' H 1 . -4.900 . . 2.000 . . . . . . . . . . . 5671 1 122 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H2'' H 1 . -5.300 . . 2.000 . . . . . . . . . . . 5671 1 123 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H2'' H 1 . -5.700 . . 2.000 . . . . . . . . . . . 5671 1 124 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H2'' H 1 . -6.400 . . 2.000 . . . . . . . . . . . 5671 1 125 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC H2'' H 1 . -5.800 . . 2.000 . . . . . . . . . . . 5671 1 126 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H2'' H 1 . -5.800 . . 1.000 . . . . . . . . . . . 5671 1 127 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H2'' H 1 . -12.300 . . 1.000 . . . . . . . . . . . 5671 1 128 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H2'' H 1 . -11.400 . . 1.000 . . . . . . . . . . . 5671 1 129 . . 1 1 1 1 DC H2' H 1 . . 1 1 1 1 DC H3' H 1 . 3.100 . . 2.000 . . . . . . . . . . . 5671 1 130 . . 1 1 3 3 DC H2' H 1 . . 1 1 3 3 DC H3' H 1 . 4.300 . . 1.000 . . . . . . . . . . . 5671 1 131 . . 1 1 5 5 DA H2' H 1 . . 1 1 5 5 DA H3' H 1 . 4.100 . . 1.000 . . . . . . . . . . . 5671 1 132 . . 1 1 6 6 DA H2' H 1 . . 1 1 6 6 DA H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 1 133 . . 1 1 7 7 DT H2' H 1 . . 1 1 7 7 DT H3' H 1 . 3.800 . . 1.000 . . . . . . . . . . . 5671 1 134 . . 1 1 8 8 DT H2' H 1 . . 1 1 8 8 DT H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 1 135 . . 1 1 9 9 DC H2' H 1 . . 1 1 9 9 DC H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 1 136 . . 1 1 11 11 DC H2' H 1 . . 1 1 11 11 DC H3' H 1 . 5.200 . . 1.000 . . . . . . . . . . . 5671 1 137 . . 1 1 12 12 DG H2' H 1 . . 1 1 12 12 DG H3' H 1 . 5.400 . . 2.000 . . . . . . . . . . . 5671 1 138 . . 1 1 1 1 DC H2'' H 1 . . 1 1 1 1 DC H3' H 1 . 2.200 . . 2.000 . . . . . . . . . . . 5671 1 139 . . 1 1 2 2 DG H2'' H 1 . . 1 1 2 2 DG H3' H 1 . 3.700 . . 1.000 . . . . . . . . . . . 5671 1 140 . . 1 1 3 3 DC H2'' H 1 . . 1 1 3 3 DC H3' H 1 . 2.800 . . 1.000 . . . . . . . . . . . 5671 1 141 . . 1 1 5 5 DA H2'' H 1 . . 1 1 5 5 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 1 142 . . 1 1 6 6 DA H2'' H 1 . . 1 1 6 6 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 1 143 . . 1 1 7 7 DT H2'' H 1 . . 1 1 7 7 DT H3' H 1 . -1.400 . . 1.000 . . . . . . . . . . . 5671 1 144 . . 1 1 8 8 DT H2'' H 1 . . 1 1 8 8 DT H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 1 145 . . 1 1 9 9 DC H2'' H 1 . . 1 1 9 9 DC H3' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 1 146 . . 1 1 11 11 DC H2'' H 1 . . 1 1 11 11 DC H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 1 147 . . 1 1 12 12 DG H2'' H 1 . . 1 1 12 12 DG H3' H 1 . 2.100 . . 2.000 . . . . . . . . . . . 5671 1 148 . . 1 1 1 1 DC H2' H 1 . . 1 1 1 1 DC H2'' H 1 . 9.000 . . 1.000 . . . . . . . . . . . 5671 1 149 . . 1 1 3 3 DC H2' H 1 . . 1 1 3 3 DC H2'' H 1 . 7.200 . . 1.000 . . . . . . . . . . . 5671 1 150 . . 1 1 5 5 DA H2' H 1 . . 1 1 5 5 DA H2'' H 1 . 13.200 . . 2.000 . . . . . . . . . . . 5671 1 151 . . 1 1 6 6 DA H2' H 1 . . 1 1 6 6 DA H2'' H 1 . 14.500 . . 2.000 . . . . . . . . . . . 5671 1 152 . . 1 1 7 7 DT H2' H 1 . . 1 1 7 7 DT H2'' H 1 . 14.400 . . 2.000 . . . . . . . . . . . 5671 1 153 . . 1 1 8 8 DT H2' H 1 . . 1 1 8 8 DT H2'' H 1 . 5.900 . . 1.000 . . . . . . . . . . . 5671 1 154 . . 1 1 9 9 DC H2' H 1 . . 1 1 9 9 DC H2'' H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 1 155 . . 1 1 11 11 DC H2' H 1 . . 1 1 11 11 DC H2'' H 1 . 9.100 . . 1.000 . . . . . . . . . . . 5671 1 156 . . 1 1 12 12 DG H2' H 1 . . 1 1 12 12 DG H2'' H 1 . 8.500 . . 1.000 . . . . . . . . . . . 5671 1 157 . . 1 1 1 1 DC H5 H 1 . . 1 1 1 1 DC H6 H 1 . 7.000 . . 1.000 . . . . . . . . . . . 5671 1 158 . . 1 1 3 3 DC H5 H 1 . . 1 1 3 3 DC H6 H 1 . 6.400 . . 1.000 . . . . . . . . . . . 5671 1 159 . . 1 1 9 9 DC H5 H 1 . . 1 1 9 9 DC H6 H 1 . 7.200 . . 2.000 . . . . . . . . . . . 5671 1 160 . . 1 1 11 11 DC H5 H 1 . . 1 1 11 11 DC H6 H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 1 161 . . 1 1 1 1 DC H1' H 1 . . 1 1 2 2 DG H5' H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 1 162 . . 1 1 3 3 DC H1' H 1 . . 1 1 4 4 DG H5' H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 1 163 . . 1 1 4 4 DG H1' H 1 . . 1 1 5 5 DA H5' H 1 . 3.200 . . 1.000 . . . . . . . . . . . 5671 1 164 . . 1 1 5 5 DA H1' H 1 . . 1 1 6 6 DA H5' H 1 . 3.500 . . 1.000 . . . . . . . . . . . 5671 1 165 . . 1 1 6 6 DA H1' H 1 . . 1 1 7 7 DT H5' H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 1 166 . . 1 1 8 8 DT H1' H 1 . . 1 1 9 9 DC H5' H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 1 167 . . 1 1 9 9 DC H1' H 1 . . 1 1 10 10 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 168 . . 1 1 10 10 DG H1' H 1 . . 1 1 11 11 DC H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 169 . . 1 1 11 11 DC H1' H 1 . . 1 1 12 12 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 170 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H4' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 1 171 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 172 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H4' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 1 173 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 174 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 175 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 176 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 177 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 178 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC H4' H 1 . 2.100 . . 1.000 . . . . . . . . . . . 5671 1 179 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H4' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 1 180 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H4' H 1 . 3.400 . . 1.000 . . . . . . . . . . . 5671 1 181 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H4' H 1 . 2.500 . . 1.000 . . . . . . . . . . . 5671 1 182 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 1 183 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 1 184 . . 1 1 3 3 DC H1' H 1 . . 1 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 185 . . 1 1 4 4 DG H1' H 1 . . 1 1 4 4 DG H8 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 186 . . 1 1 6 6 DA H1' H 1 . . 1 1 6 6 DA H8 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 1 187 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT H6 H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 1 188 . . 1 1 8 8 DT H1' H 1 . . 1 1 8 8 DT H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 1 189 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG H8 H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 1 190 . . 1 1 11 11 DC H1' H 1 . . 1 1 11 11 DC H6 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 1 191 . . 1 1 12 12 DG H1' H 1 . . 1 1 12 12 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 1 192 . . 1 1 2 2 DG H4' H 1 . . 1 1 2 2 DG H3' H 1 . -7.900 . . 1.000 . . . . . . . . . . . 5671 1 193 . . 1 1 3 3 DC H4' H 1 . . 1 1 3 3 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 1 194 . . 1 1 4 4 DG H4' H 1 . . 1 1 4 4 DG H3' H 1 . -6.100 . . 1.000 . . . . . . . . . . . 5671 1 195 . . 1 1 5 5 DA H4' H 1 . . 1 1 5 5 DA H3' H 1 . -6.500 . . 1.000 . . . . . . . . . . . 5671 1 196 . . 1 1 6 6 DA H4' H 1 . . 1 1 6 6 DA H3' H 1 . -3.000 . . 2.000 . . . . . . . . . . . 5671 1 197 . . 1 1 7 7 DT H4' H 1 . . 1 1 7 7 DT H3' H 1 . -4.500 . . 2.000 . . . . . . . . . . . 5671 1 198 . . 1 1 8 8 DT H4' H 1 . . 1 1 8 8 DT H3' H 1 . -3.200 . . 2.000 . . . . . . . . . . . 5671 1 199 . . 1 1 9 9 DC H4' H 1 . . 1 1 9 9 DC H3' H 1 . -3.800 . . 2.000 . . . . . . . . . . . 5671 1 200 . . 1 1 10 10 DG H4' H 1 . . 1 1 10 10 DG H3' H 1 . -2.000 . . 2.000 . . . . . . . . . . . 5671 1 201 . . 1 1 11 11 DC H4' H 1 . . 1 1 11 11 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 1 202 . . 1 1 5 5 DA H2 H 1 . . 1 1 6 6 DA H2 H 1 . -2.900 . . 1.000 . . . . . . . . . . . 5671 1 203 . . 1 1 2 2 DG H1' H 1 . . 1 1 3 3 DC H5 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 1 204 . . 1 1 2 2 DG H8 H 1 . . 1 1 3 3 DC H5 H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 1 205 . . 1 1 8 8 DT H1' H 1 . . 1 1 9 9 DC H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 206 . . 1 1 8 8 DT H6 H 1 . . 1 1 9 9 DC H5 H 1 . -4.500 . . 1.000 . . . . . . . . . . . 5671 1 207 . . 1 1 10 10 DG H1' H 1 . . 1 1 11 11 DC H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 208 . . 1 1 10 10 DG H8 H 1 . . 1 1 11 11 DC H5 H 1 . -2.800 . . 1.000 . . . . . . . . . . . 5671 1 209 . . 1 1 6 6 DA H2' H 1 . . 1 1 7 7 DT H7 H 1 . -5.680 . . 20.000 . . . . . . . . . . . 5671 1 210 . . 1 1 7 7 DT H2' H 1 . . 1 1 8 8 DT H7 H 1 . -5.430 . . 20.000 . . . . . . . . . . . 5671 1 211 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT H7 H 1 . 3.590 . . 20.000 . . . . . . . . . . . 5671 1 212 . . 1 1 8 8 DT H6 H 1 . . 1 1 8 8 DT H7 H 1 . 4.280 . . 20.000 . . . . . . . . . . . 5671 1 213 . . 1 1 6 6 DA H8 H 1 . . 1 1 7 7 DT H7 H 1 . -6.180 . . 20.000 . . . . . . . . . . . 5671 1 214 . . 1 1 7 7 DT H6 H 1 . . 1 1 8 8 DT H7 H 1 . -6.870 . . 20.000 . . . . . . . . . . . 5671 1 215 . . 1 1 1 1 DC H1' H 1 . . 1 1 2 2 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 1 216 . . 1 1 2 2 DG H1' H 1 . . 1 1 3 3 DC H6 H 1 . -5.200 . . 1.000 . . . . . . . . . . . 5671 1 217 . . 1 1 3 3 DC H1' H 1 . . 1 1 4 4 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 1 218 . . 1 1 4 4 DG H1' H 1 . . 1 1 5 5 DA H8 H 1 . -5.000 . . 1.000 . . . . . . . . . . . 5671 1 219 . . 1 1 5 5 DA H1' H 1 . . 1 1 6 6 DA H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 1 220 . . 1 1 6 6 DA H1' H 1 . . 1 1 7 7 DT H6 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 1 221 . . 1 1 7 7 DT H1' H 1 . . 1 1 8 8 DT H6 H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 1 222 . . 1 1 8 8 DT H1' H 1 . . 1 1 9 9 DC H6 H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 1 223 . . 1 1 9 9 DC H1' H 1 . . 1 1 10 10 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 1 224 . . 1 1 10 10 DG H1' H 1 . . 1 1 11 11 DC H6 H 1 . -4.800 . . 1.000 . . . . . . . . . . . 5671 1 225 . . 1 1 11 11 DC H1' H 1 . . 1 1 12 12 DG H8 H 1 . -2.100 . . 1.000 . . . . . . . . . . . 5671 1 226 . . 1 1 2 2 DG H5'' H 1 . . 1 1 2 2 DG H3' H 1 . -7.600 . . 1.000 . . . . . . . . . . . 5671 1 227 . . 1 1 4 4 DG H5'' H 1 . . 1 1 4 4 DG H3' H 1 . -9.300 . . 1.000 . . . . . . . . . . . 5671 1 228 . . 1 1 5 5 DA H5'' H 1 . . 1 1 5 5 DA H3' H 1 . -8.700 . . 1.000 . . . . . . . . . . . 5671 1 229 . . 1 1 6 6 DA H5'' H 1 . . 1 1 6 6 DA H3' H 1 . -8.400 . . 1.000 . . . . . . . . . . . 5671 1 230 . . 1 1 8 8 DT H5'' H 1 . . 1 1 8 8 DT H3' H 1 . -10.200 . . 1.000 . . . . . . . . . . . 5671 1 231 . . 1 1 10 10 DG H5'' H 1 . . 1 1 10 10 DG H3' H 1 . -9.500 . . 1.000 . . . . . . . . . . . 5671 1 232 . . 1 1 2 2 DG H5' H 1 . . 1 1 2 2 DG H3' H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 1 233 . . 1 1 4 4 DG H5' H 1 . . 1 1 4 4 DG H3' H 1 . -3.100 . . 1.000 . . . . . . . . . . . 5671 1 234 . . 1 1 5 5 DA H5' H 1 . . 1 1 5 5 DA H3' H 1 . -1.900 . . 1.000 . . . . . . . . . . . 5671 1 235 . . 1 1 6 6 DA H5' H 1 . . 1 1 6 6 DA H3' H 1 . -4.400 . . 1.000 . . . . . . . . . . . 5671 1 236 . . 1 1 8 8 DT H5' H 1 . . 1 1 8 8 DT H3' H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 1 237 . . 1 1 10 10 DG H5' H 1 . . 1 1 10 10 DG H3' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 1 238 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC H2' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 1 239 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG H2' H 1 . 7.500 . . 1.000 . . . . . . . . . . . 5671 1 240 . . 1 1 3 3 DC H6 H 1 . . 1 1 3 3 DC H2' H 1 . 7.300 . . 1.000 . . . . . . . . . . . 5671 1 241 . . 1 1 4 4 DG H8 H 1 . . 1 1 4 4 DG H2' H 1 . 8.900 . . 1.000 . . . . . . . . . . . 5671 1 242 . . 1 1 5 5 DA H8 H 1 . . 1 1 5 5 DA H2' H 1 . 7.900 . . 1.000 . . . . . . . . . . . 5671 1 243 . . 1 1 6 6 DA H8 H 1 . . 1 1 6 6 DA H2' H 1 . 7.600 . . 1.000 . . . . . . . . . . . 5671 1 244 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT H2' H 1 . 3.900 . . 1.000 . . . . . . . . . . . 5671 1 245 . . 1 1 8 8 DT H6 H 1 . . 1 1 8 8 DT H2' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 1 246 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 247 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 248 . . 1 1 11 11 DC H6 H 1 . . 1 1 11 11 DC H2' H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 1 249 . . 1 1 12 12 DG H8 H 1 . . 1 1 12 12 DG H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 1 250 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC H2'' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 1 251 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG H2'' H 1 . 2.300 . . 1.000 . . . . . . . . . . . 5671 1 252 . . 1 1 3 3 DC H6 H 1 . . 1 1 3 3 DC H2'' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 1 253 . . 1 1 4 4 DG H8 H 1 . . 1 1 4 4 DG H2'' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 1 254 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 255 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 256 . . 1 1 11 11 DC H6 H 1 . . 1 1 11 11 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 257 . . 1 1 12 12 DG H8 H 1 . . 1 1 12 12 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 258 . . 1 1 1 1 DC H2' H 1 . . 1 1 2 2 DG H8 H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 1 259 . . 1 1 2 2 DG H2' H 1 . . 1 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 260 . . 1 1 3 3 DC H2' H 1 . . 1 1 4 4 DG H8 H 1 . -3.800 . . 1.000 . . . . . . . . . . . 5671 1 261 . . 1 1 6 6 DA H2' H 1 . . 1 1 7 7 DT H6 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 1 262 . . 1 1 7 7 DT H2' H 1 . . 1 1 8 8 DT H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 1 263 . . 1 1 8 8 DT H2' H 1 . . 1 1 9 9 DC H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 1 264 . . 1 1 9 9 DC H2' H 1 . . 1 1 10 10 DG H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 1 265 . . 1 1 10 10 DG H2' H 1 . . 1 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 266 . . 1 1 11 11 DC H2' H 1 . . 1 1 12 12 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 1 267 . . 1 1 1 1 DC H2'' H 1 . . 1 1 2 2 DG H8 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 1 268 . . 1 1 2 2 DG H2'' H 1 . . 1 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 269 . . 1 1 3 3 DC H2'' H 1 . . 1 1 4 4 DG H8 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 1 270 . . 1 1 4 4 DG H2'' H 1 . . 1 1 5 5 DA H8 H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 1 271 . . 1 1 5 5 DA H2'' H 1 . . 1 1 6 6 DA H8 H 1 . -6.700 . . 1.000 . . . . . . . . . . . 5671 1 272 . . 1 1 6 6 DA H2'' H 1 . . 1 1 7 7 DT H6 H 1 . -8.200 . . 1.000 . . . . . . . . . . . 5671 1 273 . . 1 1 7 7 DT H2'' H 1 . . 1 1 8 8 DT H6 H 1 . -10.900 . . 1.000 . . . . . . . . . . . 5671 1 274 . . 1 1 8 8 DT H2'' H 1 . . 1 1 9 9 DC H6 H 1 . -9.000 . . 1.000 . . . . . . . . . . . 5671 1 275 . . 1 1 9 9 DC H2'' H 1 . . 1 1 10 10 DG H8 H 1 . -5.600 . . 1.000 . . . . . . . . . . . 5671 1 276 . . 1 1 10 10 DG H2'' H 1 . . 1 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 1 277 . . 1 1 11 11 DC H2'' H 1 . . 1 1 12 12 DG H8 H 1 . -2.700 . . 1.000 . . . . . . . . . . . 5671 1 278 . . 1 1 1 1 DC H3' H 1 . . 1 1 2 2 DG P P 31 . 1.280 . . 0.080 . . . . . . . . . . . 5671 1 279 . . 1 1 2 2 DG H3' H 1 . . 1 1 3 3 DC P P 31 . 1.490 . . 0.080 . . . . . . . . . . . 5671 1 280 . . 1 1 3 3 DC H3' H 1 . . 1 1 4 4 DG P P 31 . 1.940 . . 0.110 . . . . . . . . . . . 5671 1 281 . . 1 1 4 4 DG H3' H 1 . . 1 1 5 5 DA P P 31 . 1.590 . . 0.090 . . . . . . . . . . . 5671 1 282 . . 1 1 5 5 DA H3' H 1 . . 1 1 6 6 DA P P 31 . 1.580 . . 0.110 . . . . . . . . . . . 5671 1 283 . . 1 1 6 6 DA H3' H 1 . . 1 1 7 7 DT P P 31 . 1.140 . . 0.130 . . . . . . . . . . . 5671 1 284 . . 1 1 7 7 DT H3' H 1 . . 1 1 8 8 DT P P 31 . 0.890 . . 0.140 . . . . . . . . . . . 5671 1 285 . . 1 1 8 8 DT H3' H 1 . . 1 1 9 9 DC P P 31 . 0.310 . . 0.130 . . . . . . . . . . . 5671 1 286 . . 1 1 9 9 DC H3' H 1 . . 1 1 10 10 DG P P 31 . -0.330 . . 0.120 . . . . . . . . . . . 5671 1 287 . . 1 1 10 10 DG H3' H 1 . . 1 1 11 11 DC P P 31 . -0.280 . . 0.090 . . . . . . . . . . . 5671 1 288 . . 1 1 11 11 DC H3' H 1 . . 1 1 12 12 DG P P 31 . 0.250 . . 0.090 . . . . . . . . . . . 5671 1 289 . . 1 1 1 1 DC H6 H 1 . . 1 1 1 1 DC C6 C 13 . 9.99 . . 0.200 . . . . . . . . . . . 5671 1 290 . . 1 1 1 1 DC H5 H 1 . . 1 1 1 1 DC C5 C 13 . 18.00 . . 0.200 . . . . . . . . . . . 5671 1 291 . . 1 1 2 2 DG H8 H 1 . . 1 1 2 2 DG C8 C 13 . 18.13 . . 0.200 . . . . . . . . . . . 5671 1 292 . . 1 1 5 5 DA H2 H 1 . . 1 1 5 5 DA C2 C 13 . 27.06 . . 0.200 . . . . . . . . . . . 5671 1 293 . . 1 1 5 5 DA H8 H 1 . . 1 1 5 5 DA C8 C 13 . 27.07 . . 0.200 . . . . . . . . . . . 5671 1 294 . . 1 1 7 7 DT H6 H 1 . . 1 1 7 7 DT C6 C 13 . 22.53 . . 0.200 . . . . . . . . . . . 5671 1 295 . . 1 1 9 9 DC H6 H 1 . . 1 1 9 9 DC C6 C 13 . 26.83 . . 0.200 . . . . . . . . . . . 5671 1 296 . . 1 1 9 9 DC H5 H 1 . . 1 1 9 9 DC C5 C 13 . 19.03 . . 0.200 . . . . . . . . . . . 5671 1 297 . . 1 1 10 10 DG H8 H 1 . . 1 1 10 10 DG C8 C 13 . 24.06 . . 0.200 . . . . . . . . . . . 5671 1 298 . . 1 1 1 1 DC H1' H 1 . . 1 1 1 1 DC C1' C 13 . 0.56 . . 0.200 . . . . . . . . . . . 5671 1 299 . . 1 1 2 2 DG H1' H 1 . . 1 1 2 2 DG C1' C 13 . 20.25 . . 0.200 . . . . . . . . . . . 5671 1 300 . . 1 1 5 5 DA H1' H 1 . . 1 1 5 5 DA C1' C 13 . 21.90 . . 0.200 . . . . . . . . . . . 5671 1 301 . . 1 1 7 7 DT H1' H 1 . . 1 1 7 7 DT C1' C 13 . 19.17 . . 0.200 . . . . . . . . . . . 5671 1 302 . . 1 1 9 9 DC H1' H 1 . . 1 1 9 9 DC C1' C 13 . 13.74 . . 0.200 . . . . . . . . . . . 5671 1 303 . . 1 1 10 10 DG H1' H 1 . . 1 1 10 10 DG C1' C 13 . 16.16 . . 0.200 . . . . . . . . . . . 5671 1 304 . . 1 1 1 1 DC H3' H 1 . . 1 1 1 1 DC C3' C 13 . -7.65 . . 0.200 . . . . . . . . . . . 5671 1 305 . . 1 1 2 2 DG H3' H 1 . . 1 1 2 2 DG C3' C 13 . 4.13 . . 0.200 . . . . . . . . . . . 5671 1 306 . . 1 1 5 5 DA H3' H 1 . . 1 1 5 5 DA C3' C 13 . 19.57 . . 0.200 . . . . . . . . . . . 5671 1 307 . . 1 1 7 7 DT H3' H 1 . . 1 1 7 7 DT C3' C 13 . 17.65 . . 0.200 . . . . . . . . . . . 5671 1 308 . . 1 1 9 9 DC H3' H 1 . . 1 1 9 9 DC C3' C 13 . 22.20 . . 0.200 . . . . . . . . . . . 5671 1 309 . . 1 1 10 10 DG H3' H 1 . . 1 1 10 10 DG C3' C 13 . 23.65 . . 0.200 . . . . . . . . . . . 5671 1 310 . . 1 1 1 1 DC H4' H 1 . . 1 1 1 1 DC C4' C 13 . 3.62 . . 0.200 . . . . . . . . . . . 5671 1 311 . . 1 1 2 2 DG H4' H 1 . . 1 1 2 2 DG C4' C 13 . 2.34 . . 0.200 . . . . . . . . . . . 5671 1 312 . . 1 1 5 5 DA H4' H 1 . . 1 1 5 5 DA C4' C 13 . -7.62 . . 0.200 . . . . . . . . . . . 5671 1 313 . . 1 1 7 7 DT H4' H 1 . . 1 1 7 7 DT C4' C 13 . 11.46 . . 0.200 . . . . . . . . . . . 5671 1 314 . . 1 1 9 9 DC H4' H 1 . . 1 1 9 9 DC C4' C 13 . 19.26 . . 0.200 . . . . . . . . . . . 5671 1 315 . . 1 1 10 10 DG H4' H 1 . . 1 1 10 10 DG C4' C 13 . 22.83 . . 0.200 . . . . . . . . . . . 5671 1 316 . . 1 1 2 2 DG H1 H 1 . . 1 1 2 2 DG N1 N 15 . 8.32 . . 0.200 . . . . . . . . . . . 5671 1 317 . . 1 1 7 7 DT H3 H 1 . . 1 1 7 7 DT N3 N 15 . 9.90 . . 0.200 . . . . . . . . . . . 5671 1 318 . . 1 1 10 10 DG H1 H 1 . . 1 1 10 10 DG N1 N 15 . 10.01 . . 0.200 . . . . . . . . . . . 5671 1 stop_ save_ save_residual_dipolar_couplings_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_2 _RDC_list.Entry_ID 5671 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 800 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 1 $sample_1 . 5671 2 . . 2 $sample_2 . 5671 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC C6 C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 2 2 . . 2 1 1 1 DC H5 H 1 . . 2 1 1 1 DC C5 C 13 . 14.53 . . 0.200 . . . . . . . . . . . 5671 2 3 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG C8 C 13 . 6.95 . . 0.200 . . . . . . . . . . . 5671 2 4 . . 2 1 3 3 DC H6 H 1 . . 2 1 3 3 DC C6 C 13 . 17.95 . . 0.200 . . . . . . . . . . . 5671 2 5 . . 2 1 3 3 DC H5 H 1 . . 2 1 3 3 DC C5 C 13 . 4.26 . . 0.200 . . . . . . . . . . . 5671 2 6 . . 2 1 4 4 DG H8 H 1 . . 2 1 4 4 DG C8 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 2 7 . . 2 1 5 5 DA H2 H 1 . . 2 1 5 5 DA C2 C 13 . 21.36 . . 0.200 . . . . . . . . . . . 5671 2 8 . . 2 1 5 5 DA H8 H 1 . . 2 1 5 5 DA C8 C 13 . 22.31 . . 0.200 . . . . . . . . . . . 5671 2 9 . . 2 1 6 6 DA H2 H 1 . . 2 1 6 6 DA C2 C 13 . 22.99 . . 0.200 . . . . . . . . . . . 5671 2 10 . . 2 1 6 6 DA H8 H 1 . . 2 1 6 6 DA C8 C 13 . 17.73 . . 0.200 . . . . . . . . . . . 5671 2 11 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT C6 C 13 . 10.68 . . 0.200 . . . . . . . . . . . 5671 2 12 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 2 13 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC C6 C 13 . 23.52 . . 0.200 . . . . . . . . . . . 5671 2 14 . . 2 1 9 9 DC H5 H 1 . . 2 1 9 9 DC C5 C 13 . 8.73 . . 0.200 . . . . . . . . . . . 5671 2 15 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG C8 C 13 . 19.93 . . 0.200 . . . . . . . . . . . 5671 2 16 . . 2 1 11 11 DC H6 H 1 . . 2 1 11 11 DC C6 C 13 . 10.86 . . 0.200 . . . . . . . . . . . 5671 2 17 . . 2 1 11 11 DC H5 H 1 . . 2 1 11 11 DC C5 C 13 . 24.20 . . 0.200 . . . . . . . . . . . 5671 2 18 . . 2 1 12 12 DG H8 H 1 . . 2 1 12 12 DG C8 C 13 . 2.42 . . 0.200 . . . . . . . . . . . 5671 2 19 . . 2 1 1 1 DC H2'' H 1 . . 2 1 1 1 DC C2' C 13 . 1.03 . . 0.200 . . . . . . . . . . . 5671 2 20 . . 2 1 2 2 DG H2'' H 1 . . 2 1 2 2 DG C2' C 13 . -17.53 . . 0.200 . . . . . . . . . . . 5671 2 21 . . 2 1 3 3 DC H2'' H 1 . . 2 1 3 3 DC C2' C 13 . -8.42 . . 0.200 . . . . . . . . . . . 5671 2 22 . . 2 1 4 4 DG H2'' H 1 . . 2 1 4 4 DG C2' C 13 . -24.41 . . 0.200 . . . . . . . . . . . 5671 2 23 . . 2 1 5 5 DA H2'' H 1 . . 2 1 5 5 DA C2' C 13 . -14.19 . . 0.200 . . . . . . . . . . . 5671 2 24 . . 2 1 6 6 DA H2'' H 1 . . 2 1 6 6 DA C2' C 13 . -16.15 . . 0.200 . . . . . . . . . . . 5671 2 25 . . 2 1 9 9 DC H2'' H 1 . . 2 1 9 9 DC C2' C 13 . -18.20 . . 0.200 . . . . . . . . . . . 5671 2 26 . . 2 1 10 10 DG H2'' H 1 . . 2 1 10 10 DG C2' C 13 . -23.86 . . 0.200 . . . . . . . . . . . 5671 2 27 . . 2 1 11 11 DC H2'' H 1 . . 2 1 11 11 DC C2' C 13 . -1.17 . . 0.200 . . . . . . . . . . . 5671 2 28 . . 2 1 12 12 DG H2'' H 1 . . 2 1 12 12 DG C2' C 13 . -4.84 . . 0.200 . . . . . . . . . . . 5671 2 29 . . 2 1 1 1 DC H5' H 1 . . 2 1 1 1 DC C5' C 13 . -5.57 . . 0.200 . . . . . . . . . . . 5671 2 30 . . 2 1 2 2 DG H5' H 1 . . 2 1 2 2 DG C5' C 13 . -20.71 . . 0.200 . . . . . . . . . . . 5671 2 31 . . 2 1 4 4 DG H5' H 1 . . 2 1 4 4 DG C5' C 13 . -22.05 . . 0.200 . . . . . . . . . . . 5671 2 32 . . 2 1 5 5 DA H5' H 1 . . 2 1 5 5 DA C5' C 13 . -18.57 . . 0.200 . . . . . . . . . . . 5671 2 33 . . 2 1 6 6 DA H5' H 1 . . 2 1 6 6 DA C5' C 13 . -21.86 . . 0.200 . . . . . . . . . . . 5671 2 34 . . 2 1 7 7 DT H5' H 1 . . 2 1 7 7 DT C5' C 13 . -20.23 . . 0.200 . . . . . . . . . . . 5671 2 35 . . 2 1 9 9 DC H5' H 1 . . 2 1 9 9 DC C5' C 13 . -32.09 . . 0.200 . . . . . . . . . . . 5671 2 36 . . 2 1 10 10 DG H5' H 1 . . 2 1 10 10 DG C5' C 13 . -25.94 . . 0.200 . . . . . . . . . . . 5671 2 37 . . 2 1 12 12 DG H5' H 1 . . 2 1 12 12 DG C5' C 13 . -28.56 . . 0.200 . . . . . . . . . . . 5671 2 38 . . 2 1 2 2 DG H1 H 1 . . 2 1 2 2 DG N1 N 15 . 7.26 . . 0.200 . . . . . . . . . . . 5671 2 39 . . 2 1 4 4 DG H1 H 1 . . 2 1 4 4 DG N1 N 15 . 12.94 . . 0.200 . . . . . . . . . . . 5671 2 40 . . 2 1 7 7 DT H3 H 1 . . 2 1 7 7 DT N3 N 15 . 4.72 . . 0.200 . . . . . . . . . . . 5671 2 41 . . 2 1 8 8 DT H3 H 1 . . 2 1 8 8 DT N3 N 15 . 9.82 . . 0.200 . . . . . . . . . . . 5671 2 42 . . 2 1 10 10 DG H1 H 1 . . 2 1 10 10 DG N1 N 15 . 7.11 . . 0.200 . . . . . . . . . . . 5671 2 43 . . 2 1 7 7 DT C5 C . . . 2 1 7 7 DT CM C 13 . 14.82 . . 0.200 . . . . . . . . . . . 5671 2 44 . . 2 1 8 8 DT C5 C . . . 2 1 8 8 DT CM C 13 . 11.03 . . 0.200 . . . . . . . . . . . 5671 2 45 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC C1' C 13 . 2.01 . . 0.200 . . . . . . . . . . . 5671 2 46 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG C1' C 13 . 8.50 . . 0.200 . . . . . . . . . . . 5671 2 47 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC C1' C 13 . 0.48 . . 0.200 . . . . . . . . . . . 5671 2 48 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG C1' C 13 . 13.61 . . 0.200 . . . . . . . . . . . 5671 2 49 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA C1' C 13 . 18.58 . . 0.200 . . . . . . . . . . . 5671 2 50 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA C1' C 13 . 16.15 . . 0.200 . . . . . . . . . . . 5671 2 51 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT C1' C 13 . 9.97 . . 0.200 . . . . . . . . . . . 5671 2 52 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT C1' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 2 53 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC C1' C 13 . 8.16 . . 0.200 . . . . . . . . . . . 5671 2 54 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG C1' C 13 . 15.25 . . 0.200 . . . . . . . . . . . 5671 2 55 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC C1' C 13 . 14.19 . . 0.200 . . . . . . . . . . . 5671 2 56 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG C1' C 13 . 11.02 . . 0.200 . . . . . . . . . . . 5671 2 57 . . 2 1 1 1 DC H2' H 1 . . 2 1 1 1 DC C2' C 13 . 5.25 . . 0.200 . . . . . . . . . . . 5671 2 58 . . 2 1 2 2 DG H2' H 1 . . 2 1 2 2 DG C2' C 13 . 10.83 . . 0.200 . . . . . . . . . . . 5671 2 59 . . 2 1 3 3 DC H2' H 1 . . 2 1 3 3 DC C2' C 13 . -8.43 . . 0.200 . . . . . . . . . . . 5671 2 60 . . 2 1 4 4 DG H2' H 1 . . 2 1 4 4 DG C2' C 13 . 9.98 . . 0.200 . . . . . . . . . . . 5671 2 61 . . 2 1 5 5 DA H2' H 1 . . 2 1 5 5 DA C2' C 13 . 12.07 . . 0.200 . . . . . . . . . . . 5671 2 62 . . 2 1 6 6 DA H2' H 1 . . 2 1 6 6 DA C2' C 13 . 16.24 . . 0.200 . . . . . . . . . . . 5671 2 63 . . 2 1 7 7 DT H2' H 1 . . 2 1 7 7 DT C2' C 13 . 5.24 . . 0.200 . . . . . . . . . . . 5671 2 64 . . 2 1 8 8 DT H2' H 1 . . 2 1 8 8 DT C2' C 13 . 8.65 . . 0.200 . . . . . . . . . . . 5671 2 65 . . 2 1 9 9 DC H2' H 1 . . 2 1 9 9 DC C2' C 13 . 3.38 . . 0.200 . . . . . . . . . . . 5671 2 66 . . 2 1 10 10 DG H2' H 1 . . 2 1 10 10 DG C2' C 13 . 15.15 . . 0.200 . . . . . . . . . . . 5671 2 67 . . 2 1 11 11 DC H2' H 1 . . 2 1 11 11 DC C2' C 13 . 12.74 . . 0.200 . . . . . . . . . . . 5671 2 68 . . 2 1 12 12 DG H2' H 1 . . 2 1 12 12 DG C2' C 13 . 11.72 . . 0.200 . . . . . . . . . . . 5671 2 69 . . 2 1 1 1 DC H3' H 1 . . 2 1 1 1 DC C3' C 13 . -5.99 . . 0.200 . . . . . . . . . . . 5671 2 70 . . 2 1 2 2 DG H3' H 1 . . 2 1 2 2 DG C3' C 13 . 6.05 . . 0.200 . . . . . . . . . . . 5671 2 71 . . 2 1 3 3 DC H3' H 1 . . 2 1 3 3 DC C3' C 13 . -0.01 . . 0.200 . . . . . . . . . . . 5671 2 72 . . 2 1 4 4 DG H3' H 1 . . 2 1 4 4 DG C3' C 13 . 18.65 . . 0.200 . . . . . . . . . . . 5671 2 73 . . 2 1 5 5 DA H3' H 1 . . 2 1 5 5 DA C3' C 13 . 15.87 . . 0.200 . . . . . . . . . . . 5671 2 74 . . 2 1 6 6 DA H3' H 1 . . 2 1 6 6 DA C3' C 13 . 12.84 . . 0.200 . . . . . . . . . . . 5671 2 75 . . 2 1 7 7 DT H3' H 1 . . 2 1 7 7 DT C3' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 2 76 . . 2 1 8 8 DT H3' H 1 . . 2 1 8 8 DT C3' C 13 . 15.48 . . 0.200 . . . . . . . . . . . 5671 2 77 . . 2 1 9 9 DC H3' H 1 . . 2 1 9 9 DC C3' C 13 . 17.76 . . 0.200 . . . . . . . . . . . 5671 2 78 . . 2 1 10 10 DG H3' H 1 . . 2 1 10 10 DG C3' C 13 . 22.00 . . 0.200 . . . . . . . . . . . 5671 2 79 . . 2 1 11 11 DC H3' H 1 . . 2 1 11 11 DC C3' C 13 . 7.73 . . 0.200 . . . . . . . . . . . 5671 2 80 . . 2 1 12 12 DG H3' H 1 . . 2 1 12 12 DG C3' C 13 . 3.39 . . 0.200 . . . . . . . . . . . 5671 2 81 . . 2 1 1 1 DC H4' H 1 . . 2 1 1 1 DC C4' C 13 . 3.41 . . 0.200 . . . . . . . . . . . 5671 2 82 . . 2 1 2 2 DG H4' H 1 . . 2 1 2 2 DG C4' C 13 . 6.40 . . 0.200 . . . . . . . . . . . 5671 2 83 . . 2 1 3 3 DC H4' H 1 . . 2 1 3 3 DC C4' C 13 . -1.00 . . 0.200 . . . . . . . . . . . 5671 2 84 . . 2 1 4 4 DG H4' H 1 . . 2 1 4 4 DG C4' C 13 . -4.77 . . 0.200 . . . . . . . . . . . 5671 2 85 . . 2 1 5 5 DA H4' H 1 . . 2 1 5 5 DA C4' C 13 . -4.40 . . 0.200 . . . . . . . . . . . 5671 2 86 . . 2 1 6 6 DA H4' H 1 . . 2 1 6 6 DA C4' C 13 . 5.09 . . 0.200 . . . . . . . . . . . 5671 2 87 . . 2 1 7 7 DT H4' H 1 . . 2 1 7 7 DT C4' C 13 . 7.02 . . 0.200 . . . . . . . . . . . 5671 2 88 . . 2 1 8 8 DT H4' H 1 . . 2 1 8 8 DT C4' C 13 . 7.05 . . 0.200 . . . . . . . . . . . 5671 2 89 . . 2 1 9 9 DC H4' H 1 . . 2 1 9 9 DC C4' C 13 . 7.63 . . 0.200 . . . . . . . . . . . 5671 2 90 . . 2 1 10 10 DG H4' H 1 . . 2 1 10 10 DG C4' C 13 . 9.86 . . 0.200 . . . . . . . . . . . 5671 2 91 . . 2 1 11 11 DC H4' H 1 . . 2 1 11 11 DC C4' C 13 . 16.00 . . 0.200 . . . . . . . . . . . 5671 2 92 . . 2 1 12 12 DG H4' H 1 . . 2 1 12 12 DG C4' C 13 . 13.79 . . 0.200 . . . . . . . . . . . 5671 2 93 . . 2 1 1 1 DC H5'' H 1 . . 2 1 1 1 DC C5' C 13 . 1.71 . . 0.200 . . . . . . . . . . . 5671 2 94 . . 2 1 2 2 DG H5'' H 1 . . 2 1 2 2 DG C5' C 13 . 15.03 . . 0.200 . . . . . . . . . . . 5671 2 95 . . 2 1 3 3 DC H5'' H 1 . . 2 1 3 3 DC C5' C 13 . 18.80 . . 0.200 . . . . . . . . . . . 5671 2 96 . . 2 1 4 4 DG H5'' H 1 . . 2 1 4 4 DG C5' C 13 . 16.08 . . 0.200 . . . . . . . . . . . 5671 2 97 . . 2 1 5 5 DA H5'' H 1 . . 2 1 5 5 DA C5' C 13 . 9.09 . . 0.200 . . . . . . . . . . . 5671 2 98 . . 2 1 6 6 DA H5'' H 1 . . 2 1 6 6 DA C5' C 13 . 10.31 . . 0.200 . . . . . . . . . . . 5671 2 99 . . 2 1 7 7 DT H5'' H 1 . . 2 1 7 7 DT C5' C 13 . 17.22 . . 0.200 . . . . . . . . . . . 5671 2 100 . . 2 1 8 8 DT H5'' H 1 . . 2 1 8 8 DT C5' C 13 . 14.09 . . 0.200 . . . . . . . . . . . 5671 2 101 . . 2 1 9 9 DC H5'' H 1 . . 2 1 9 9 DC C5' C 13 . 15.59 . . 0.200 . . . . . . . . . . . 5671 2 102 . . 2 1 10 10 DG H5'' H 1 . . 2 1 10 10 DG C5' C 13 . 9.92 . . 0.200 . . . . . . . . . . . 5671 2 103 . . 2 1 11 11 DC H5'' H 1 . . 2 1 11 11 DC C5' C 13 . 13.95 . . 0.200 . . . . . . . . . . . 5671 2 104 . . 2 1 12 12 DG H5'' H 1 . . 2 1 12 12 DG C5' C 13 . 7.71 . . 0.200 . . . . . . . . . . . 5671 2 105 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H2' H 1 . -4.700 . . 1.000 . . . . . . . . . . . 5671 2 106 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H2' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 2 107 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H2' H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 2 108 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H2' H 1 . 0.500 . . 1.000 . . . . . . . . . . . 5671 2 109 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA H2' H 1 . 1.000 . . 1.000 . . . . . . . . . . . 5671 2 110 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 2 111 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H2' H 1 . -1.100 . . 1.000 . . . . . . . . . . . 5671 2 112 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H2' H 1 . 0.600 . . 1.000 . . . . . . . . . . . 5671 2 113 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC H2' H 1 . -0.500 . . 1.000 . . . . . . . . . . . 5671 2 114 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H2' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 2 115 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 2 116 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H2' H 1 . -4.000 . . 1.000 . . . . . . . . . . . 5671 2 117 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H2'' H 1 . -9.900 . . 1.000 . . . . . . . . . . . 5671 2 118 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H2'' H 1 . -9.600 . . 1.000 . . . . . . . . . . . 5671 2 119 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H2'' H 1 . -8.900 . . 1.000 . . . . . . . . . . . 5671 2 120 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H2'' H 1 . -4.700 . . 2.000 . . . . . . . . . . . 5671 2 121 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA H2'' H 1 . -4.900 . . 2.000 . . . . . . . . . . . 5671 2 122 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H2'' H 1 . -5.300 . . 2.000 . . . . . . . . . . . 5671 2 123 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H2'' H 1 . -5.700 . . 2.000 . . . . . . . . . . . 5671 2 124 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H2'' H 1 . -6.400 . . 2.000 . . . . . . . . . . . 5671 2 125 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC H2'' H 1 . -5.800 . . 2.000 . . . . . . . . . . . 5671 2 126 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H2'' H 1 . -5.800 . . 1.000 . . . . . . . . . . . 5671 2 127 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H2'' H 1 . -12.300 . . 1.000 . . . . . . . . . . . 5671 2 128 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H2'' H 1 . -11.400 . . 1.000 . . . . . . . . . . . 5671 2 129 . . 2 1 1 1 DC H2' H 1 . . 2 1 1 1 DC H3' H 1 . 3.100 . . 2.000 . . . . . . . . . . . 5671 2 130 . . 2 1 3 3 DC H2' H 1 . . 2 1 3 3 DC H3' H 1 . 4.300 . . 1.000 . . . . . . . . . . . 5671 2 131 . . 2 1 5 5 DA H2' H 1 . . 2 1 5 5 DA H3' H 1 . 4.100 . . 1.000 . . . . . . . . . . . 5671 2 132 . . 2 1 6 6 DA H2' H 1 . . 2 1 6 6 DA H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 2 133 . . 2 1 7 7 DT H2' H 1 . . 2 1 7 7 DT H3' H 1 . 3.800 . . 1.000 . . . . . . . . . . . 5671 2 134 . . 2 1 8 8 DT H2' H 1 . . 2 1 8 8 DT H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 2 135 . . 2 1 9 9 DC H2' H 1 . . 2 1 9 9 DC H3' H 1 . 6.900 . . 1.000 . . . . . . . . . . . 5671 2 136 . . 2 1 11 11 DC H2' H 1 . . 2 1 11 11 DC H3' H 1 . 5.200 . . 1.000 . . . . . . . . . . . 5671 2 137 . . 2 1 12 12 DG H2' H 1 . . 2 1 12 12 DG H3' H 1 . 5.400 . . 2.000 . . . . . . . . . . . 5671 2 138 . . 2 1 1 1 DC H2'' H 1 . . 2 1 1 1 DC H3' H 1 . 2.200 . . 2.000 . . . . . . . . . . . 5671 2 139 . . 2 1 2 2 DG H2'' H 1 . . 2 1 2 2 DG H3' H 1 . 3.700 . . 1.000 . . . . . . . . . . . 5671 2 140 . . 2 1 3 3 DC H2'' H 1 . . 2 1 3 3 DC H3' H 1 . 2.800 . . 1.000 . . . . . . . . . . . 5671 2 141 . . 2 1 5 5 DA H2'' H 1 . . 2 1 5 5 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 2 142 . . 2 1 6 6 DA H2'' H 1 . . 2 1 6 6 DA H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 2 143 . . 2 1 7 7 DT H2'' H 1 . . 2 1 7 7 DT H3' H 1 . -1.400 . . 1.000 . . . . . . . . . . . 5671 2 144 . . 2 1 8 8 DT H2'' H 1 . . 2 1 8 8 DT H3' H 1 . 0.000 . . 4.000 . . . . . . . . . . . 5671 2 145 . . 2 1 9 9 DC H2'' H 1 . . 2 1 9 9 DC H3' H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 2 146 . . 2 1 11 11 DC H2'' H 1 . . 2 1 11 11 DC H3' H 1 . 4.000 . . 1.000 . . . . . . . . . . . 5671 2 147 . . 2 1 12 12 DG H2'' H 1 . . 2 1 12 12 DG H3' H 1 . 2.100 . . 2.000 . . . . . . . . . . . 5671 2 148 . . 2 1 1 1 DC H2' H 1 . . 2 1 1 1 DC H2'' H 1 . 9.000 . . 1.000 . . . . . . . . . . . 5671 2 149 . . 2 1 3 3 DC H2' H 1 . . 2 1 3 3 DC H2'' H 1 . 7.200 . . 1.000 . . . . . . . . . . . 5671 2 150 . . 2 1 5 5 DA H2' H 1 . . 2 1 5 5 DA H2'' H 1 . 13.200 . . 2.000 . . . . . . . . . . . 5671 2 151 . . 2 1 6 6 DA H2' H 1 . . 2 1 6 6 DA H2'' H 1 . 14.500 . . 2.000 . . . . . . . . . . . 5671 2 152 . . 2 1 7 7 DT H2' H 1 . . 2 1 7 7 DT H2'' H 1 . 14.400 . . 2.000 . . . . . . . . . . . 5671 2 153 . . 2 1 8 8 DT H2' H 1 . . 2 1 8 8 DT H2'' H 1 . 5.900 . . 1.000 . . . . . . . . . . . 5671 2 154 . . 2 1 9 9 DC H2' H 1 . . 2 1 9 9 DC H2'' H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 2 155 . . 2 1 11 11 DC H2' H 1 . . 2 1 11 11 DC H2'' H 1 . 9.100 . . 1.000 . . . . . . . . . . . 5671 2 156 . . 2 1 12 12 DG H2' H 1 . . 2 1 12 12 DG H2'' H 1 . 8.500 . . 1.000 . . . . . . . . . . . 5671 2 157 . . 2 1 1 1 DC H5 H 1 . . 2 1 1 1 DC H6 H 1 . 7.000 . . 1.000 . . . . . . . . . . . 5671 2 158 . . 2 1 3 3 DC H5 H 1 . . 2 1 3 3 DC H6 H 1 . 6.400 . . 1.000 . . . . . . . . . . . 5671 2 159 . . 2 1 9 9 DC H5 H 1 . . 2 1 9 9 DC H6 H 1 . 7.200 . . 2.000 . . . . . . . . . . . 5671 2 160 . . 2 1 11 11 DC H5 H 1 . . 2 1 11 11 DC H6 H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 2 161 . . 2 1 1 1 DC H1' H 1 . . 2 1 2 2 DG H5' H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 2 162 . . 2 1 3 3 DC H1' H 1 . . 2 1 4 4 DG H5' H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 2 163 . . 2 1 4 4 DG H1' H 1 . . 2 1 5 5 DA H5' H 1 . 3.200 . . 1.000 . . . . . . . . . . . 5671 2 164 . . 2 1 5 5 DA H1' H 1 . . 2 1 6 6 DA H5' H 1 . 3.500 . . 1.000 . . . . . . . . . . . 5671 2 165 . . 2 1 6 6 DA H1' H 1 . . 2 1 7 7 DT H5' H 1 . 4.600 . . 1.000 . . . . . . . . . . . 5671 2 166 . . 2 1 8 8 DT H1' H 1 . . 2 1 9 9 DC H5' H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 2 167 . . 2 1 9 9 DC H1' H 1 . . 2 1 10 10 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 168 . . 2 1 10 10 DG H1' H 1 . . 2 1 11 11 DC H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 169 . . 2 1 11 11 DC H1' H 1 . . 2 1 12 12 DG H5' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 170 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H4' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 2 171 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 172 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H4' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 2 173 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 174 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 175 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 176 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 177 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H4' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 178 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC H4' H 1 . 2.100 . . 1.000 . . . . . . . . . . . 5671 2 179 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H4' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 2 180 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H4' H 1 . 3.400 . . 1.000 . . . . . . . . . . . 5671 2 181 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H4' H 1 . 2.500 . . 1.000 . . . . . . . . . . . 5671 2 182 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 2 183 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 2 184 . . 2 1 3 3 DC H1' H 1 . . 2 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 185 . . 2 1 4 4 DG H1' H 1 . . 2 1 4 4 DG H8 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 186 . . 2 1 6 6 DA H1' H 1 . . 2 1 6 6 DA H8 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 2 187 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT H6 H 1 . 2.400 . . 1.000 . . . . . . . . . . . 5671 2 188 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H6 H 1 . 2.200 . . 1.000 . . . . . . . . . . . 5671 2 189 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H8 H 1 . 1.900 . . 1.000 . . . . . . . . . . . 5671 2 190 . . 2 1 11 11 DC H1' H 1 . . 2 1 11 11 DC H6 H 1 . 2.000 . . 1.000 . . . . . . . . . . . 5671 2 191 . . 2 1 12 12 DG H1' H 1 . . 2 1 12 12 DG H8 H 1 . 1.500 . . 1.000 . . . . . . . . . . . 5671 2 192 . . 2 1 2 2 DG H4' H 1 . . 2 1 2 2 DG H3' H 1 . -7.900 . . 1.000 . . . . . . . . . . . 5671 2 193 . . 2 1 3 3 DC H4' H 1 . . 2 1 3 3 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 2 194 . . 2 1 4 4 DG H4' H 1 . . 2 1 4 4 DG H3' H 1 . -6.100 . . 1.000 . . . . . . . . . . . 5671 2 195 . . 2 1 5 5 DA H4' H 1 . . 2 1 5 5 DA H3' H 1 . -6.500 . . 1.000 . . . . . . . . . . . 5671 2 196 . . 2 1 6 6 DA H4' H 1 . . 2 1 6 6 DA H3' H 1 . -3.000 . . 2.000 . . . . . . . . . . . 5671 2 197 . . 2 1 7 7 DT H4' H 1 . . 2 1 7 7 DT H3' H 1 . -4.500 . . 2.000 . . . . . . . . . . . 5671 2 198 . . 2 1 8 8 DT H4' H 1 . . 2 1 8 8 DT H3' H 1 . -3.200 . . 2.000 . . . . . . . . . . . 5671 2 199 . . 2 1 9 9 DC H4' H 1 . . 2 1 9 9 DC H3' H 1 . -3.800 . . 2.000 . . . . . . . . . . . 5671 2 200 . . 2 1 10 10 DG H4' H 1 . . 2 1 10 10 DG H3' H 1 . -2.000 . . 2.000 . . . . . . . . . . . 5671 2 201 . . 2 1 11 11 DC H4' H 1 . . 2 1 11 11 DC H3' H 1 . -4.400 . . 2.000 . . . . . . . . . . . 5671 2 202 . . 2 1 5 5 DA H2 H 1 . . 2 1 6 6 DA H2 H 1 . -2.900 . . 1.000 . . . . . . . . . . . 5671 2 203 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG H5 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 2 204 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG H5 H 1 . -1.800 . . 1.000 . . . . . . . . . . . 5671 2 205 . . 2 1 8 8 DT H1' H 1 . . 2 1 8 8 DT H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 206 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT H5 H 1 . -4.500 . . 1.000 . . . . . . . . . . . 5671 2 207 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG H5 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 208 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG H5 H 1 . -2.800 . . 1.000 . . . . . . . . . . . 5671 2 209 . . 2 1 6 6 DA H2' H 1 . . 2 1 7 7 DT H7 H 1 . -5.680 . . 20.000 . . . . . . . . . . . 5671 2 210 . . 2 1 7 7 DT H2' H 1 . . 2 1 8 8 DT H7 H 1 . -5.430 . . 20.000 . . . . . . . . . . . 5671 2 211 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT H7 H 1 . 3.590 . . 20.000 . . . . . . . . . . . 5671 2 212 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT H7 H 1 . 4.280 . . 20.000 . . . . . . . . . . . 5671 2 213 . . 2 1 6 6 DA H8 H 1 . . 2 1 7 7 DT H7 H 1 . -6.180 . . 20.000 . . . . . . . . . . . 5671 2 214 . . 2 1 7 7 DT H6 H 1 . . 2 1 8 8 DT H7 H 1 . -6.870 . . 20.000 . . . . . . . . . . . 5671 2 215 . . 2 1 1 1 DC H1' H 1 . . 2 1 2 2 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 2 216 . . 2 1 2 2 DG H1' H 1 . . 2 1 3 3 DC H6 H 1 . -5.200 . . 1.000 . . . . . . . . . . . 5671 2 217 . . 2 1 3 3 DC H1' H 1 . . 2 1 4 4 DG H8 H 1 . -2.500 . . 1.000 . . . . . . . . . . . 5671 2 218 . . 2 1 4 4 DG H1' H 1 . . 2 1 5 5 DA H8 H 1 . -5.000 . . 1.000 . . . . . . . . . . . 5671 2 219 . . 2 1 5 5 DA H1' H 1 . . 2 1 6 6 DA H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 2 220 . . 2 1 6 6 DA H1' H 1 . . 2 1 7 7 DT H6 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 2 221 . . 2 1 7 7 DT H1' H 1 . . 2 1 8 8 DT H6 H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 2 222 . . 2 1 8 8 DT H1' H 1 . . 2 1 9 9 DC H6 H 1 . -3.900 . . 1.000 . . . . . . . . . . . 5671 2 223 . . 2 1 9 9 DC H1' H 1 . . 2 1 10 10 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 2 224 . . 2 1 10 10 DG H1' H 1 . . 2 1 11 11 DC H6 H 1 . -4.800 . . 1.000 . . . . . . . . . . . 5671 2 225 . . 2 1 11 11 DC H1' H 1 . . 2 1 12 12 DG H8 H 1 . -2.100 . . 1.000 . . . . . . . . . . . 5671 2 226 . . 2 1 2 2 DG H5'' H 1 . . 2 1 2 2 DG H3' H 1 . -7.600 . . 1.000 . . . . . . . . . . . 5671 2 227 . . 2 1 4 4 DG H5'' H 1 . . 2 1 4 4 DG H3' H 1 . -9.300 . . 1.000 . . . . . . . . . . . 5671 2 228 . . 2 1 5 5 DA H5'' H 1 . . 2 1 5 5 DA H3' H 1 . -8.700 . . 1.000 . . . . . . . . . . . 5671 2 229 . . 2 1 6 6 DA H5'' H 1 . . 2 1 6 6 DA H3' H 1 . -8.400 . . 1.000 . . . . . . . . . . . 5671 2 230 . . 2 1 8 8 DT H5'' H 1 . . 2 1 8 8 DT H3' H 1 . -10.200 . . 1.000 . . . . . . . . . . . 5671 2 231 . . 2 1 10 10 DG H5'' H 1 . . 2 1 10 10 DG H3' H 1 . -9.500 . . 1.000 . . . . . . . . . . . 5671 2 232 . . 2 1 2 2 DG H5' H 1 . . 2 1 2 2 DG H3' H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 2 233 . . 2 1 4 4 DG H5' H 1 . . 2 1 4 4 DG H3' H 1 . -3.100 . . 1.000 . . . . . . . . . . . 5671 2 234 . . 2 1 5 5 DA H5' H 1 . . 2 1 5 5 DA H3' H 1 . -1.900 . . 1.000 . . . . . . . . . . . 5671 2 235 . . 2 1 6 6 DA H5' H 1 . . 2 1 6 6 DA H3' H 1 . -4.400 . . 1.000 . . . . . . . . . . . 5671 2 236 . . 2 1 8 8 DT H5' H 1 . . 2 1 8 8 DT H3' H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 2 237 . . 2 1 10 10 DG H5' H 1 . . 2 1 10 10 DG H3' H 1 . -2.200 . . 1.000 . . . . . . . . . . . 5671 2 238 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC H2' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 2 239 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG H2' H 1 . 7.500 . . 1.000 . . . . . . . . . . . 5671 2 240 . . 2 1 3 3 DC H6 H 1 . . 2 1 3 3 DC H2' H 1 . 7.300 . . 1.000 . . . . . . . . . . . 5671 2 241 . . 2 1 4 4 DG H8 H 1 . . 2 1 4 4 DG H2' H 1 . 8.900 . . 1.000 . . . . . . . . . . . 5671 2 242 . . 2 1 5 5 DA H8 H 1 . . 2 1 5 5 DA H2' H 1 . 7.900 . . 1.000 . . . . . . . . . . . 5671 2 243 . . 2 1 6 6 DA H8 H 1 . . 2 1 6 6 DA H2' H 1 . 7.600 . . 1.000 . . . . . . . . . . . 5671 2 244 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT H2' H 1 . 3.900 . . 1.000 . . . . . . . . . . . 5671 2 245 . . 2 1 8 8 DT H6 H 1 . . 2 1 8 8 DT H2' H 1 . 2.600 . . 1.000 . . . . . . . . . . . 5671 2 246 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 247 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG H2' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 248 . . 2 1 11 11 DC H6 H 1 . . 2 1 11 11 DC H2' H 1 . -3.200 . . 1.000 . . . . . . . . . . . 5671 2 249 . . 2 1 12 12 DG H8 H 1 . . 2 1 12 12 DG H2' H 1 . -3.300 . . 1.000 . . . . . . . . . . . 5671 2 250 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC H2'' H 1 . 1.700 . . 1.000 . . . . . . . . . . . 5671 2 251 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG H2'' H 1 . 2.300 . . 1.000 . . . . . . . . . . . 5671 2 252 . . 2 1 3 3 DC H6 H 1 . . 2 1 3 3 DC H2'' H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 2 253 . . 2 1 4 4 DG H8 H 1 . . 2 1 4 4 DG H2'' H 1 . 2.700 . . 1.000 . . . . . . . . . . . 5671 2 254 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 255 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 256 . . 2 1 11 11 DC H6 H 1 . . 2 1 11 11 DC H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 257 . . 2 1 12 12 DG H8 H 1 . . 2 1 12 12 DG H2'' H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 258 . . 2 1 1 1 DC H2' H 1 . . 2 1 2 2 DG H8 H 1 . -3.400 . . 1.000 . . . . . . . . . . . 5671 2 259 . . 2 1 2 2 DG H2' H 1 . . 2 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 260 . . 2 1 3 3 DC H2' H 1 . . 2 1 4 4 DG H8 H 1 . -3.800 . . 1.000 . . . . . . . . . . . 5671 2 261 . . 2 1 6 6 DA H2' H 1 . . 2 1 7 7 DT H6 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 2 262 . . 2 1 7 7 DT H2' H 1 . . 2 1 8 8 DT H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 2 263 . . 2 1 8 8 DT H2' H 1 . . 2 1 9 9 DC H6 H 1 . -5.100 . . 1.000 . . . . . . . . . . . 5671 2 264 . . 2 1 9 9 DC H2' H 1 . . 2 1 10 10 DG H8 H 1 . -5.700 . . 1.000 . . . . . . . . . . . 5671 2 265 . . 2 1 10 10 DG H2' H 1 . . 2 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 266 . . 2 1 11 11 DC H2' H 1 . . 2 1 12 12 DG H8 H 1 . -3.500 . . 1.000 . . . . . . . . . . . 5671 2 267 . . 2 1 1 1 DC H2'' H 1 . . 2 1 2 2 DG H8 H 1 . -3.600 . . 1.000 . . . . . . . . . . . 5671 2 268 . . 2 1 2 2 DG H2'' H 1 . . 2 1 3 3 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 269 . . 2 1 3 3 DC H2'' H 1 . . 2 1 4 4 DG H8 H 1 . -4.900 . . 1.000 . . . . . . . . . . . 5671 2 270 . . 2 1 4 4 DG H2'' H 1 . . 2 1 5 5 DA H8 H 1 . 1.800 . . 1.000 . . . . . . . . . . . 5671 2 271 . . 2 1 5 5 DA H2'' H 1 . . 2 1 6 6 DA H8 H 1 . -6.700 . . 1.000 . . . . . . . . . . . 5671 2 272 . . 2 1 6 6 DA H2'' H 1 . . 2 1 7 7 DT H6 H 1 . -8.200 . . 1.000 . . . . . . . . . . . 5671 2 273 . . 2 1 7 7 DT H2'' H 1 . . 2 1 8 8 DT H6 H 1 . -10.900 . . 1.000 . . . . . . . . . . . 5671 2 274 . . 2 1 8 8 DT H2'' H 1 . . 2 1 9 9 DC H6 H 1 . -9.000 . . 1.000 . . . . . . . . . . . 5671 2 275 . . 2 1 9 9 DC H2'' H 1 . . 2 1 10 10 DG H8 H 1 . -5.600 . . 1.000 . . . . . . . . . . . 5671 2 276 . . 2 1 10 10 DG H2'' H 1 . . 2 1 11 11 DC H6 H 1 . 0.000 . . 2.000 . . . . . . . . . . . 5671 2 277 . . 2 1 11 11 DC H2'' H 1 . . 2 1 12 12 DG H8 H 1 . -2.700 . . 1.000 . . . . . . . . . . . 5671 2 278 . . 2 1 1 1 DC H3' H 1 . . 2 1 2 2 DG P P 31 . 1.280 . . 0.080 . . . . . . . . . . . 5671 2 279 . . 2 1 2 2 DG H3' H 1 . . 2 1 3 3 DC P P 31 . 1.490 . . 0.080 . . . . . . . . . . . 5671 2 280 . . 2 1 3 3 DC H3' H 1 . . 2 1 4 4 DG P P 31 . 1.940 . . 0.110 . . . . . . . . . . . 5671 2 281 . . 2 1 4 4 DG H3' H 1 . . 2 1 5 5 DA P P 31 . 1.590 . . 0.090 . . . . . . . . . . . 5671 2 282 . . 2 1 5 5 DA H3' H 1 . . 2 1 6 6 DA P P 31 . 1.580 . . 0.110 . . . . . . . . . . . 5671 2 283 . . 2 1 6 6 DA H3' H 1 . . 2 1 7 7 DT P P 31 . 1.140 . . 0.130 . . . . . . . . . . . 5671 2 284 . . 2 1 7 7 DT H3' H 1 . . 2 1 8 8 DT P P 31 . 0.890 . . 0.140 . . . . . . . . . . . 5671 2 285 . . 2 1 8 8 DT H3' H 1 . . 2 1 9 9 DC P P 31 . 0.310 . . 0.130 . . . . . . . . . . . 5671 2 286 . . 2 1 9 9 DC H3' H 1 . . 2 1 10 10 DG P P 31 . -0.330 . . 0.120 . . . . . . . . . . . 5671 2 287 . . 2 1 10 10 DG H3' H 1 . . 2 1 11 11 DC P P 31 . -0.280 . . 0.090 . . . . . . . . . . . 5671 2 288 . . 2 1 11 11 DC H3' H 1 . . 2 1 12 12 DG P P 31 . 0.250 . . 0.090 . . . . . . . . . . . 5671 2 289 . . 2 1 1 1 DC H6 H 1 . . 2 1 1 1 DC C6 C 13 . 9.99 . . 0.200 . . . . . . . . . . . 5671 2 290 . . 2 1 1 1 DC H5 H 1 . . 2 1 1 1 DC C5 C 13 . 18.00 . . 0.200 . . . . . . . . . . . 5671 2 291 . . 2 1 2 2 DG H8 H 1 . . 2 1 2 2 DG C8 C 13 . 18.13 . . 0.200 . . . . . . . . . . . 5671 2 292 . . 2 1 5 5 DA H2 H 1 . . 2 1 5 5 DA C2 C 13 . 27.06 . . 0.200 . . . . . . . . . . . 5671 2 293 . . 2 1 5 5 DA H8 H 1 . . 2 1 5 5 DA C8 C 13 . 27.07 . . 0.200 . . . . . . . . . . . 5671 2 294 . . 2 1 7 7 DT H6 H 1 . . 2 1 7 7 DT C6 C 13 . 22.53 . . 0.200 . . . . . . . . . . . 5671 2 295 . . 2 1 9 9 DC H6 H 1 . . 2 1 9 9 DC C6 C 13 . 26.83 . . 0.200 . . . . . . . . . . . 5671 2 296 . . 2 1 9 9 DC H5 H 1 . . 2 1 9 9 DC C5 C 13 . 19.03 . . 0.200 . . . . . . . . . . . 5671 2 297 . . 2 1 10 10 DG H8 H 1 . . 2 1 10 10 DG C8 C 13 . 24.06 . . 0.200 . . . . . . . . . . . 5671 2 298 . . 2 1 1 1 DC H1' H 1 . . 2 1 1 1 DC C1' C 13 . 0.56 . . 0.200 . . . . . . . . . . . 5671 2 299 . . 2 1 2 2 DG H1' H 1 . . 2 1 2 2 DG C1' C 13 . 20.25 . . 0.200 . . . . . . . . . . . 5671 2 300 . . 2 1 5 5 DA H1' H 1 . . 2 1 5 5 DA C1' C 13 . 21.90 . . 0.200 . . . . . . . . . . . 5671 2 301 . . 2 1 7 7 DT H1' H 1 . . 2 1 7 7 DT C1' C 13 . 19.17 . . 0.200 . . . . . . . . . . . 5671 2 302 . . 2 1 9 9 DC H1' H 1 . . 2 1 9 9 DC C1' C 13 . 13.74 . . 0.200 . . . . . . . . . . . 5671 2 303 . . 2 1 10 10 DG H1' H 1 . . 2 1 10 10 DG C1' C 13 . 16.16 . . 0.200 . . . . . . . . . . . 5671 2 304 . . 2 1 1 1 DC H3' H 1 . . 2 1 1 1 DC C3' C 13 . -7.65 . . 0.200 . . . . . . . . . . . 5671 2 305 . . 2 1 2 2 DG H3' H 1 . . 2 1 2 2 DG C3' C 13 . 4.13 . . 0.200 . . . . . . . . . . . 5671 2 306 . . 2 1 5 5 DA H3' H 1 . . 2 1 5 5 DA C3' C 13 . 19.57 . . 0.200 . . . . . . . . . . . 5671 2 307 . . 2 1 7 7 DT H3' H 1 . . 2 1 7 7 DT C3' C 13 . 17.65 . . 0.200 . . . . . . . . . . . 5671 2 308 . . 2 1 9 9 DC H3' H 1 . . 2 1 9 9 DC C3' C 13 . 22.20 . . 0.200 . . . . . . . . . . . 5671 2 309 . . 2 1 10 10 DG H3' H 1 . . 2 1 10 10 DG C3' C 13 . 23.65 . . 0.200 . . . . . . . . . . . 5671 2 310 . . 2 1 1 1 DC H4' H 1 . . 2 1 1 1 DC C4' C 13 . 3.62 . . 0.200 . . . . . . . . . . . 5671 2 311 . . 2 1 2 2 DG H4' H 1 . . 2 1 2 2 DG C4' C 13 . 2.34 . . 0.200 . . . . . . . . . . . 5671 2 312 . . 2 1 5 5 DA H4' H 1 . . 2 1 5 5 DA C4' C 13 . -7.62 . . 0.200 . . . . . . . . . . . 5671 2 313 . . 2 1 7 7 DT H4' H 1 . . 2 1 7 7 DT C4' C 13 . 11.46 . . 0.200 . . . . . . . . . . . 5671 2 314 . . 2 1 9 9 DC H4' H 1 . . 2 1 9 9 DC C4' C 13 . 19.26 . . 0.200 . . . . . . . . . . . 5671 2 315 . . 2 1 10 10 DG H4' H 1 . . 2 1 10 10 DG C4' C 13 . 22.83 . . 0.200 . . . . . . . . . . . 5671 2 316 . . 2 1 2 2 DG H1 H 1 . . 2 1 2 2 DG N1 N 15 . 8.32 . . 0.200 . . . . . . . . . . . 5671 2 317 . . 2 1 7 7 DT H3 H 1 . . 2 1 7 7 DT N3 N 15 . 9.90 . . 0.200 . . . . . . . . . . . 5671 2 318 . . 2 1 10 10 DG H1 H 1 . . 2 1 10 10 DG N1 N 15 . 10.01 . . 0.200 . . . . . . . . . . . 5671 2 stop_ save_