data_4226 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4226 _Entry.Title ; The Lead-Dependent Ribozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-08-19 _Entry.Accession_date 1998-08-19 _Entry.Last_release_date 1999-12-23 _Entry.Original_release_date 1999-12-23 _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 C. Hoogstraten . G. . 4226 2 P. Legault . . . 4226 3 A. Pardi . . . 4226 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4226 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 4226 '15N chemical shifts' 92 4226 '1H chemical shifts' 278 4226 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-12-23 1998-08-19 original author . 4226 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1LDZ 'BMRB Entry Tracking System' 4226 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4226 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99033050 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Order, Dynamics, and Metal-Binding in the Lead-Dependent Ribozyme' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 284 _Citation.Journal_issue . _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 325 _Citation.Page_last 335 _Citation.Year 1998 _Citation.Details ; Solution structure of the leadzyme reported in accompanying paper in same issue, Hoogstraten et al. ; 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 P. Legault . . . 4226 1 2 C. Hoogstraten . G. . 4226 1 3 E. Metlitzky . . . 4226 1 4 A. Pardi . . . 4226 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Catalytic RNA' 4226 1 'internal loops' 4226 1 leadzyme 4226 1 'NMR spectroscopy' 4226 1 'RNA structure' 4226 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_leadzyme _Assembly.Sf_category assembly _Assembly.Sf_framecode system_leadzyme _Assembly.Entry_ID 4226 _Assembly.ID 1 _Assembly.Name 'lead-dependent ribozyme' _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 'Molecule was derived using in vitro selection and is not found in nature.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4226 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 'lead-dependent ribozyme' 1 $leadzyme . . . native . . . . . 4226 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'lead-dependent ribozyme' system 4226 1 leadzyme abbreviation 4226 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_leadzyme _Entity.Sf_category entity _Entity.Sf_framecode leadzyme _Entity.Entry_ID 4226 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'lead-dependent ribozyme' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCGACCGAGCCAGCGAAAGU UGGGAGUCGC ; _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 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Adenine 25 is protonated at the N1 site under the experimental conditions. Scissile phosphodiester bond is located between Cyt 6 and Gua 7 ; _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 'lead-dependent ribozyme' common 4226 1 leadzyme abbreviation 4226 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 4226 1 2 . C . 4226 1 3 . G . 4226 1 4 . A . 4226 1 5 . C . 4226 1 6 . C . 4226 1 7 . G . 4226 1 8 . A . 4226 1 9 . G . 4226 1 10 . C . 4226 1 11 . C . 4226 1 12 . A . 4226 1 13 . G . 4226 1 14 . C . 4226 1 15 . G . 4226 1 16 . A . 4226 1 17 . A . 4226 1 18 . A . 4226 1 19 . G . 4226 1 20 . U . 4226 1 21 . U . 4226 1 22 . G . 4226 1 23 . G . 4226 1 24 . G . 4226 1 25 . A . 4226 1 26 . G . 4226 1 27 . U . 4226 1 28 . C . 4226 1 29 . G . 4226 1 30 . C . 4226 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 4226 1 . C 2 2 4226 1 . G 3 3 4226 1 . A 4 4 4226 1 . C 5 5 4226 1 . C 6 6 4226 1 . G 7 7 4226 1 . A 8 8 4226 1 . G 9 9 4226 1 . C 10 10 4226 1 . C 11 11 4226 1 . A 12 12 4226 1 . G 13 13 4226 1 . C 14 14 4226 1 . G 15 15 4226 1 . A 16 16 4226 1 . A 17 17 4226 1 . A 18 18 4226 1 . G 19 19 4226 1 . U 20 20 4226 1 . U 21 21 4226 1 . G 22 22 4226 1 . G 23 23 4226 1 . G 24 24 4226 1 . A 25 25 4226 1 . G 26 26 4226 1 . U 27 27 4226 1 . C 28 28 4226 1 . G 29 29 4226 1 . C 30 30 4226 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 4226 _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 $leadzyme . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4226 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 4226 _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 $leadzyme . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4226 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4226 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Sample annealed by 2 min @ 65 C, 5 min on ice prior to each use. ; _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 'lead-dependent ribozyme' '[U-99% 13C; U-99% 15N]' . . 1 $leadzyme . . 1.2 . . mM . . . . 4226 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4226 1 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 4226 1 4 EDTA . . . . . . . 0.2 . . mM . . . . 4226 1 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 4226 _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' 0.1 . M 4226 1 pH* 5.5 0.2 n/a 4226 1 pressure 1 . atm 4226 1 temperature 298 0.5 K 4226 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4226 _Software.ID 1 _Software.Name FELIX _Software.Version '2.3.0, 95.0' _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Processing' 4226 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4226 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4226 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 4226 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4226 _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_spectrometer1 Varian UnityPlus . 500 . . . 4226 1 2 NMR_spectrometer2 Varian UnityInova . 600 . . . 4226 1 3 NMR_spectrometer3 Bruker DMX . 750 . . . 4226 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 4226 _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 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 2 CPMG-NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 3 BD-NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 4 CBD-NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 5 NOESY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 6 CBD-NOESY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 7 HMQC-NOESY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 8 HCCH-E.COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 9 'directed HCC-TOCSY-CCH-E.COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 1 10 'spin-echo difference CT-HCCH-COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4226 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 4226 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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 4226 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CPMG-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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 4226 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name BD-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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 4226 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBD-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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 4226 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name NOESY-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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 4226 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBD-NOESY-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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 4226 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HMQC-NOESY-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4226 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-E.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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4226 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'directed HCC-TOCSY-CCH-E.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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4226 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'spin-echo difference CT-HCCH-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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 4226 _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 C 13 TSP 'methyl carbons' . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4226 1 H 1 H2O proton . . . . ppm 4.80 internal direct . internal cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4226 1 N 15 NH3 nitrogen . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4226 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_chem_shift_sets _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_sets _Assigned_chem_shift_list.Entry_ID 4226 _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 . 4226 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H8 H 1 8.20 . . 1 . . . . . . . . 4226 1 2 . 1 1 1 1 G H1' H 1 5.78 . . 1 . . . . . . . . 4226 1 3 . 1 1 1 1 G H2' H 1 4.86 . . 1 . . . . . . . . 4226 1 4 . 1 1 1 1 G H3' H 1 4.75 . . 1 . . . . . . . . 4226 1 5 . 1 1 1 1 G H4' H 1 4.56 . . 1 . . . . . . . . 4226 1 6 . 1 1 1 1 G H5' H 1 4.28 . . 2 . . . . . . . . 4226 1 7 . 1 1 1 1 G H5'' H 1 4.46 . . 2 . . . . . . . . 4226 1 8 . 1 1 1 1 G H1 H 1 13.23 . . 1 . . . . . . . . 4226 1 9 . 1 1 1 1 G N1 N 15 146.9 . . 1 . . . . . . . . 4226 1 10 . 1 1 1 1 G N7 N 15 230.7 . . 1 . . . . . . . . 4226 1 11 . 1 1 1 1 G N9 N 15 166.9 . . 1 . . . . . . . . 4226 1 12 . 1 1 1 1 G C1' C 13 91.9 . . 1 . . . . . . . . 4226 1 13 . 1 1 1 1 G C2' C 13 74.9 . . 1 . . . . . . . . 4226 1 14 . 1 1 1 1 G C3' C 13 74.7 . . 1 . . . . . . . . 4226 1 15 . 1 1 1 1 G C4' C 13 83.9 . . 1 . . . . . . . . 4226 1 16 . 1 1 1 1 G C5' C 13 67.0 . . 1 . . . . . . . . 4226 1 17 . 1 1 1 1 G C8 C 13 139.4 . . 1 . . . . . . . . 4226 1 18 . 1 1 2 2 C H6 H 1 7.85 . . 1 . . . . . . . . 4226 1 19 . 1 1 2 2 C H5 H 1 5.40 . . 1 . . . . . . . . 4226 1 20 . 1 1 2 2 C H1' H 1 5.70 . . 1 . . . . . . . . 4226 1 21 . 1 1 2 2 C H2' H 1 4.69 . . 1 . . . . . . . . 4226 1 22 . 1 1 2 2 C H3' H 1 4.59 . . 1 . . . . . . . . 4226 1 23 . 1 1 2 2 C H4' H 1 4.52 . . 1 . . . . . . . . 4226 1 24 . 1 1 2 2 C H5' H 1 4.30 . . 2 . . . . . . . . 4226 1 25 . 1 1 2 2 C H5'' H 1 4.55 . . 2 . . . . . . . . 4226 1 26 . 1 1 2 2 C H41 H 1 6.89 . . 2 . . . . . . . . 4226 1 27 . 1 1 2 2 C H42 H 1 8.59 . . 2 . . . . . . . . 4226 1 28 . 1 1 2 2 C N4 N 15 96.6 . . 1 . . . . . . . . 4226 1 29 . 1 1 2 2 C N1 N 15 149.5 . . 1 . . . . . . . . 4226 1 30 . 1 1 2 2 C C1' C 13 94.1 . . 1 . . . . . . . . 4226 1 31 . 1 1 2 2 C C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 32 . 1 1 2 2 C C3' C 13 72.8 . . 1 . . . . . . . . 4226 1 33 . 1 1 2 2 C C4' C 13 82.5 . . 1 . . . . . . . . 4226 1 34 . 1 1 2 2 C C5' C 13 65.8 . . 1 . . . . . . . . 4226 1 35 . 1 1 2 2 C C5 C 13 97.9 . . 1 . . . . . . . . 4226 1 36 . 1 1 2 2 C C4 C 13 168.6 . . 1 . . . . . . . . 4226 1 37 . 1 1 2 2 C C6 C 13 141.8 . . 1 . . . . . . . . 4226 1 38 . 1 1 3 3 G H8 H 1 7.63 . . 1 . . . . . . . . 4226 1 39 . 1 1 3 3 G H1' H 1 5.75 . . 1 . . . . . . . . 4226 1 40 . 1 1 3 3 G H2' H 1 4.62 . . 1 . . . . . . . . 4226 1 41 . 1 1 3 3 G H3' H 1 4.64 . . 1 . . . . . . . . 4226 1 42 . 1 1 3 3 G H4' H 1 4.53 . . 1 . . . . . . . . 4226 1 43 . 1 1 3 3 G H5' H 1 4.19 . . 2 . . . . . . . . 4226 1 44 . 1 1 3 3 G H5'' H 1 4.53 . . 2 . . . . . . . . 4226 1 45 . 1 1 3 3 G H1 H 1 12.26 . . 1 . . . . . . . . 4226 1 46 . 1 1 3 3 G H21 H 1 6.6 . . 1 . . . . . . . . 4226 1 47 . 1 1 3 3 G H22 H 1 6.6 . . 1 . . . . . . . . 4226 1 48 . 1 1 3 3 G N1 N 15 144.8 . . 1 . . . . . . . . 4226 1 49 . 1 1 3 3 G N2 N 15 72.8 . . 1 . . . . . . . . 4226 1 50 . 1 1 3 3 G N7 N 15 233.4 . . 1 . . . . . . . . 4226 1 51 . 1 1 3 3 G N9 N 15 167.7 . . 1 . . . . . . . . 4226 1 52 . 1 1 3 3 G C1' C 13 93.2 . . 1 . . . . . . . . 4226 1 53 . 1 1 3 3 G C2' C 13 75.7 . . 1 . . . . . . . . 4226 1 54 . 1 1 3 3 G C3' C 13 73.3 . . 1 . . . . . . . . 4226 1 55 . 1 1 3 3 G C4' C 13 82.5 . . 1 . . . . . . . . 4226 1 56 . 1 1 3 3 G C5' C 13 66.4 . . 1 . . . . . . . . 4226 1 57 . 1 1 3 3 G C8 C 13 136.4 . . 1 . . . . . . . . 4226 1 58 . 1 1 4 4 A H8 H 1 7.90 . . 1 . . . . . . . . 4226 1 59 . 1 1 4 4 A H2 H 1 7.76 . . 1 . . . . . . . . 4226 1 60 . 1 1 4 4 A H1' H 1 5.96 . . 1 . . . . . . . . 4226 1 61 . 1 1 4 4 A H2' H 1 4.59 . . 1 . . . . . . . . 4226 1 62 . 1 1 4 4 A H3' H 1 4.62 . . 1 . . . . . . . . 4226 1 63 . 1 1 4 4 A H4' H 1 4.52 . . 1 . . . . . . . . 4226 1 64 . 1 1 4 4 A H5' H 1 4.63 . . 2 . . . . . . . . 4226 1 65 . 1 1 4 4 A H5'' H 1 4.14 . . 2 . . . . . . . . 4226 1 66 . 1 1 4 4 A H61 H 1 6.72 . . 2 . . . . . . . . 4226 1 67 . 1 1 4 4 A H62 H 1 8.11 . . 2 . . . . . . . . 4226 1 68 . 1 1 4 4 A N6 N 15 83.9 . . 1 . . . . . . . . 4226 1 69 . 1 1 4 4 A N1 N 15 210.5 . . 1 . . . . . . . . 4226 1 70 . 1 1 4 4 A N3 N 15 221.7 . . 1 . . . . . . . . 4226 1 71 . 1 1 4 4 A N7 N 15 228.2 . . 1 . . . . . . . . 4226 1 72 . 1 1 4 4 A N9 N 15 169.5 . . 1 . . . . . . . . 4226 1 73 . 1 1 4 4 A C1' C 13 93.1 . . 1 . . . . . . . . 4226 1 74 . 1 1 4 4 A C2' C 13 75.9 . . 1 . . . . . . . . 4226 1 75 . 1 1 4 4 A C3' C 13 72.8 . . 1 . . . . . . . . 4226 1 76 . 1 1 4 4 A C4' C 13 82.3 . . 1 . . . . . . . . 4226 1 77 . 1 1 4 4 A C5' C 13 65.2 . . 1 . . . . . . . . 4226 1 78 . 1 1 4 4 A C2 C 13 154.3 . . 1 . . . . . . . . 4226 1 79 . 1 1 4 4 A C8 C 13 139.5 . . 1 . . . . . . . . 4226 1 80 . 1 1 5 5 C H6 H 1 7.29 . . 1 . . . . . . . . 4226 1 81 . 1 1 5 5 C H5 H 1 5.15 . . 1 . . . . . . . . 4226 1 82 . 1 1 5 5 C H1' H 1 5.33 . . 1 . . . . . . . . 4226 1 83 . 1 1 5 5 C H2' H 1 4.42 . . 1 . . . . . . . . 4226 1 84 . 1 1 5 5 C H3' H 1 4.18 . . 1 . . . . . . . . 4226 1 85 . 1 1 5 5 C H4' H 1 4.39 . . 1 . . . . . . . . 4226 1 86 . 1 1 5 5 C H5' H 1 4.48 . . 2 . . . . . . . . 4226 1 87 . 1 1 5 5 C H5'' H 1 4.03 . . 2 . . . . . . . . 4226 1 88 . 1 1 5 5 C H41 H 1 7.16 . . 2 . . . . . . . . 4226 1 89 . 1 1 5 5 C H42 H 1 8.23 . . 2 . . . . . . . . 4226 1 90 . 1 1 5 5 C N4 N 15 97.2 . . 1 . . . . . . . . 4226 1 91 . 1 1 5 5 C N1 N 15 149.8 . . 1 . . . . . . . . 4226 1 92 . 1 1 5 5 C C1' C 13 94.1 . . 1 . . . . . . . . 4226 1 93 . 1 1 5 5 C C2' C 13 75.7 . . 1 . . . . . . . . 4226 1 94 . 1 1 5 5 C C3' C 13 72.5 . . 1 . . . . . . . . 4226 1 95 . 1 1 5 5 C C4' C 13 82.2 . . 1 . . . . . . . . 4226 1 96 . 1 1 5 5 C C5' C 13 65.1 . . 1 . . . . . . . . 4226 1 97 . 1 1 5 5 C C5 C 13 97.5 . . 1 . . . . . . . . 4226 1 98 . 1 1 5 5 C C4 C 13 168.0 . . 1 . . . . . . . . 4226 1 99 . 1 1 5 5 C C6 C 13 140.5 . . 1 . . . . . . . . 4226 1 100 . 1 1 6 6 C H6 H 1 7.78 . . 1 . . . . . . . . 4226 1 101 . 1 1 6 6 C H5 H 1 5.63 . . 1 . . . . . . . . 4226 1 102 . 1 1 6 6 C H1' H 1 5.65 . . 1 . . . . . . . . 4226 1 103 . 1 1 6 6 C H2' H 1 4.19 . . 1 . . . . . . . . 4226 1 104 . 1 1 6 6 C H3' H 1 4.44 . . 1 . . . . . . . . 4226 1 105 . 1 1 6 6 C H4' H 1 4.32 . . 1 . . . . . . . . 4226 1 106 . 1 1 6 6 C H5' H 1 4.46 . . 2 . . . . . . . . 4226 1 107 . 1 1 6 6 C H5'' H 1 4.08 . . 2 . . . . . . . . 4226 1 108 . 1 1 6 6 C H41 H 1 7.53 . . 1 . . . . . . . . 4226 1 109 . 1 1 6 6 C H42 H 1 7.53 . . 1 . . . . . . . . 4226 1 110 . 1 1 6 6 C N4 N 15 96.8 . . 1 . . . . . . . . 4226 1 111 . 1 1 6 6 C N1 N 15 150.6 . . 1 . . . . . . . . 4226 1 112 . 1 1 6 6 C C1' C 13 94.3 . . 1 . . . . . . . . 4226 1 113 . 1 1 6 6 C C2' C 13 76.1 . . 1 . . . . . . . . 4226 1 114 . 1 1 6 6 C C3' C 13 73.1 . . 1 . . . . . . . . 4226 1 115 . 1 1 6 6 C C4' C 13 82.7 . . 1 . . . . . . . . 4226 1 116 . 1 1 6 6 C C5' C 13 65.2 . . 1 . . . . . . . . 4226 1 117 . 1 1 6 6 C C5 C 13 98.8 . . 1 . . . . . . . . 4226 1 118 . 1 1 6 6 C C4 C 13 167.2 . . 1 . . . . . . . . 4226 1 119 . 1 1 6 6 C C6 C 13 141.4 . . 1 . . . . . . . . 4226 1 120 . 1 1 7 7 G H8 H 1 7.71 . . 1 . . . . . . . . 4226 1 121 . 1 1 7 7 G H1' H 1 5.50 . . 1 . . . . . . . . 4226 1 122 . 1 1 7 7 G H2' H 1 4.50 . . 1 . . . . . . . . 4226 1 123 . 1 1 7 7 G H3' H 1 4.66 . . 1 . . . . . . . . 4226 1 124 . 1 1 7 7 G H4' H 1 4.42 . . 1 . . . . . . . . 4226 1 125 . 1 1 7 7 G H5' H 1 4.10 . . 2 . . . . . . . . 4226 1 126 . 1 1 7 7 G H5'' H 1 4.36 . . 2 . . . . . . . . 4226 1 127 . 1 1 7 7 G N7 N 15 235.5 . . 1 . . . . . . . . 4226 1 128 . 1 1 7 7 G N9 N 15 165.6 . . 1 . . . . . . . . 4226 1 129 . 1 1 7 7 G C1' C 13 90.2 . . 1 . . . . . . . . 4226 1 130 . 1 1 7 7 G C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 131 . 1 1 7 7 G C3' C 13 77.6 . . 1 . . . . . . . . 4226 1 132 . 1 1 7 7 G C4' C 13 85.8 . . 1 . . . . . . . . 4226 1 133 . 1 1 7 7 G C5' C 13 67.5 . . 1 . . . . . . . . 4226 1 134 . 1 1 7 7 G C8 C 13 139.8 . . 1 . . . . . . . . 4226 1 135 . 1 1 8 8 A H8 H 1 8.27 . . 1 . . . . . . . . 4226 1 136 . 1 1 8 8 A H2 H 1 7.99 . . 1 . . . . . . . . 4226 1 137 . 1 1 8 8 A H1' H 1 5.93 . . 1 . . . . . . . . 4226 1 138 . 1 1 8 8 A H2' H 1 4.66 . . 1 . . . . . . . . 4226 1 139 . 1 1 8 8 A H3' H 1 4.78 . . 1 . . . . . . . . 4226 1 140 . 1 1 8 8 A H4' H 1 4.49 . . 1 . . . . . . . . 4226 1 141 . 1 1 8 8 A H5' H 1 4.16 . . 2 . . . . . . . . 4226 1 142 . 1 1 8 8 A H5'' H 1 4.24 . . 2 . . . . . . . . 4226 1 143 . 1 1 8 8 A H61 H 1 6.83 . . 1 . . . . . . . . 4226 1 144 . 1 1 8 8 A H62 H 1 6.83 . . 1 . . . . . . . . 4226 1 145 . 1 1 8 8 A N6 N 15 78.9 . . 1 . . . . . . . . 4226 1 146 . 1 1 8 8 A N1 N 15 215.7 . . 1 . . . . . . . . 4226 1 147 . 1 1 8 8 A N3 N 15 220.5 . . 1 . . . . . . . . 4226 1 148 . 1 1 8 8 A N7 N 15 230.9 . . 1 . . . . . . . . 4226 1 149 . 1 1 8 8 A N9 N 15 167.4 . . 1 . . . . . . . . 4226 1 150 . 1 1 8 8 A C1' C 13 90.6 . . 1 . . . . . . . . 4226 1 151 . 1 1 8 8 A C2' C 13 76.9 . . 1 . . . . . . . . 4226 1 152 . 1 1 8 8 A C3' C 13 77.1 . . 1 . . . . . . . . 4226 1 153 . 1 1 8 8 A C4' C 13 85.3 . . 1 . . . . . . . . 4226 1 154 . 1 1 8 8 A C5' C 13 67.7 . . 1 . . . . . . . . 4226 1 155 . 1 1 8 8 A C2 C 13 154.9 . . 1 . . . . . . . . 4226 1 156 . 1 1 8 8 A C8 C 13 142.0 . . 1 . . . . . . . . 4226 1 157 . 1 1 9 9 G H8 H 1 7.92 . . 1 . . . . . . . . 4226 1 158 . 1 1 9 9 G H1' H 1 5.80 . . 1 . . . . . . . . 4226 1 159 . 1 1 9 9 G H2' H 1 4.79 . . 1 . . . . . . . . 4226 1 160 . 1 1 9 9 G H3' H 1 4.76 . . 1 . . . . . . . . 4226 1 161 . 1 1 9 9 G H4' H 1 4.61 . . 1 . . . . . . . . 4226 1 162 . 1 1 9 9 G H5' H 1 4.22 . . 2 . . . . . . . . 4226 1 163 . 1 1 9 9 G H5'' H 1 4.36 . . 2 . . . . . . . . 4226 1 164 . 1 1 9 9 G N7 N 15 234.2 . . 1 . . . . . . . . 4226 1 165 . 1 1 9 9 G N9 N 15 166.0 . . 1 . . . . . . . . 4226 1 166 . 1 1 9 9 G C1' C 13 90.6 . . 1 . . . . . . . . 4226 1 167 . 1 1 9 9 G C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 168 . 1 1 9 9 G C3' C 13 76.7 . . 1 . . . . . . . . 4226 1 169 . 1 1 9 9 G C4' C 13 85.0 . . 1 . . . . . . . . 4226 1 170 . 1 1 9 9 G C5' C 13 67.7 . . 1 . . . . . . . . 4226 1 171 . 1 1 9 9 G C8 C 13 139.9 . . 1 . . . . . . . . 4226 1 172 . 1 1 10 10 C H6 H 1 7.91 . . 1 . . . . . . . . 4226 1 173 . 1 1 10 10 C H5 H 1 5.70 . . 1 . . . . . . . . 4226 1 174 . 1 1 10 10 C H1' H 1 5.48 . . 1 . . . . . . . . 4226 1 175 . 1 1 10 10 C H2' H 1 4.43 . . 1 . . . . . . . . 4226 1 176 . 1 1 10 10 C H3' H 1 4.53 . . 1 . . . . . . . . 4226 1 177 . 1 1 10 10 C H4' H 1 4.50 . . 1 . . . . . . . . 4226 1 178 . 1 1 10 10 C H5' H 1 4.22 . . 2 . . . . . . . . 4226 1 179 . 1 1 10 10 C H5'' H 1 4.48 . . 2 . . . . . . . . 4226 1 180 . 1 1 10 10 C H41 H 1 6.96 . . 2 . . . . . . . . 4226 1 181 . 1 1 10 10 C H42 H 1 8.34 . . 2 . . . . . . . . 4226 1 182 . 1 1 10 10 C N4 N 15 95.6 . . 1 . . . . . . . . 4226 1 183 . 1 1 10 10 C N1 N 15 152.1 . . 1 . . . . . . . . 4226 1 184 . 1 1 10 10 C C1' C 13 94.6 . . 1 . . . . . . . . 4226 1 185 . 1 1 10 10 C C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 186 . 1 1 10 10 C C3' C 13 73.1 . . 1 . . . . . . . . 4226 1 187 . 1 1 10 10 C C4' C 13 82.7 . . 1 . . . . . . . . 4226 1 188 . 1 1 10 10 C C5' C 13 66.1 . . 1 . . . . . . . . 4226 1 189 . 1 1 10 10 C C5 C 13 98.3 . . 1 . . . . . . . . 4226 1 190 . 1 1 10 10 C C4 C 13 168.7 . . 1 . . . . . . . . 4226 1 191 . 1 1 10 10 C C6 C 13 142.5 . . 1 . . . . . . . . 4226 1 192 . 1 1 11 11 C H6 H 1 7.88 . . 1 . . . . . . . . 4226 1 193 . 1 1 11 11 C H5 H 1 5.59 . . 1 . . . . . . . . 4226 1 194 . 1 1 11 11 C H1' H 1 5.50 . . 1 . . . . . . . . 4226 1 195 . 1 1 11 11 C H2' H 1 4.53 . . 1 . . . . . . . . 4226 1 196 . 1 1 11 11 C H3' H 1 4.46 . . 1 . . . . . . . . 4226 1 197 . 1 1 11 11 C H4' H 1 4.46 . . 1 . . . . . . . . 4226 1 198 . 1 1 11 11 C H5' H 1 4.17 . . 5 . . . . . . . . 4226 1 199 . 1 1 11 11 C H5'' H 1 4.59 . . 5 . . . . . . . . 4226 1 200 . 1 1 11 11 C H41 H 1 6.99 . . 2 . . . . . . . . 4226 1 201 . 1 1 11 11 C H42 H 1 8.35 . . 2 . . . . . . . . 4226 1 202 . 1 1 11 11 C N4 N 15 96.4 . . 1 . . . . . . . . 4226 1 203 . 1 1 11 11 C N1 N 15 149.5 . . 1 . . . . . . . . 4226 1 204 . 1 1 11 11 C C1' C 13 94.2 . . 1 . . . . . . . . 4226 1 205 . 1 1 11 11 C C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 206 . 1 1 11 11 C C3' C 13 71.9 . . 1 . . . . . . . . 4226 1 207 . 1 1 11 11 C C4' C 13 82.2 . . 1 . . . . . . . . 4226 1 208 . 1 1 11 11 C C5' C 13 64.9 . . 5 . . . . . . . . 4226 1 209 . 1 1 11 11 C C5 C 13 98.2 . . 1 . . . . . . . . 4226 1 210 . 1 1 11 11 C C4 C 13 168.8 . . 1 . . . . . . . . 4226 1 211 . 1 1 11 11 C C6 C 13 141.5 . . 1 . . . . . . . . 4226 1 212 . 1 1 12 12 A H8 H 1 8.09 . . 1 . . . . . . . . 4226 1 213 . 1 1 12 12 A H2 H 1 6.89 . . 1 . . . . . . . . 4226 1 214 . 1 1 12 12 A H1' H 1 6.00 . . 1 . . . . . . . . 4226 1 215 . 1 1 12 12 A H2' H 1 4.64 . . 1 . . . . . . . . 4226 1 216 . 1 1 12 12 A H3' H 1 4.76 . . 1 . . . . . . . . 4226 1 217 . 1 1 12 12 A H4' H 1 4.54 . . 1 . . . . . . . . 4226 1 218 . 1 1 12 12 A H5' H 1 4.20 . . 2 . . . . . . . . 4226 1 219 . 1 1 12 12 A H5'' H 1 4.59 . . 2 . . . . . . . . 4226 1 220 . 1 1 12 12 A H61 H 1 6.40 . . 2 . . . . . . . . 4226 1 221 . 1 1 12 12 A H62 H 1 7.82 . . 2 . . . . . . . . 4226 1 222 . 1 1 12 12 A N6 N 15 82.2 . . 1 . . . . . . . . 4226 1 223 . 1 1 12 12 A N1 N 15 212.1 . . 1 . . . . . . . . 4226 1 224 . 1 1 12 12 A N3 N 15 218.7 . . 1 . . . . . . . . 4226 1 225 . 1 1 12 12 A N7 N 15 229.2 . . 1 . . . . . . . . 4226 1 226 . 1 1 12 12 A N9 N 15 169.2 . . 1 . . . . . . . . 4226 1 227 . 1 1 12 12 A C1' C 13 92.6 . . 1 . . . . . . . . 4226 1 228 . 1 1 12 12 A C2' C 13 76.3 . . 1 . . . . . . . . 4226 1 229 . 1 1 12 12 A C3' C 13 73.3 . . 1 . . . . . . . . 4226 1 230 . 1 1 12 12 A C4' C 13 82.2 . . 1 . . . . . . . . 4226 1 231 . 1 1 12 12 A C5' C 13 65.6 . . 1 . . . . . . . . 4226 1 232 . 1 1 12 12 A C2 C 13 152.5 . . 1 . . . . . . . . 4226 1 233 . 1 1 12 12 A C8 C 13 139.8 . . 1 . . . . . . . . 4226 1 234 . 1 1 13 13 G H8 H 1 7.00 . . 1 . . . . . . . . 4226 1 235 . 1 1 13 13 G H1' H 1 5.65 . . 1 . . . . . . . . 4226 1 236 . 1 1 13 13 G H2' H 1 4.48 . . 1 . . . . . . . . 4226 1 237 . 1 1 13 13 G H3' H 1 4.25 . . 1 . . . . . . . . 4226 1 238 . 1 1 13 13 G H4' H 1 4.47 . . 1 . . . . . . . . 4226 1 239 . 1 1 13 13 G H5' H 1 4.05 . . 2 . . . . . . . . 4226 1 240 . 1 1 13 13 G H5'' H 1 4.40 . . 2 . . . . . . . . 4226 1 241 . 1 1 13 13 G H1 H 1 11.59 . . 1 . . . . . . . . 4226 1 242 . 1 1 13 13 G H21 H 1 6.37 . . 1 . . . . . . . . 4226 1 243 . 1 1 13 13 G H22 H 1 6.37 . . 1 . . . . . . . . 4226 1 244 . 1 1 13 13 G N1 N 15 143.2 . . 1 . . . . . . . . 4226 1 245 . 1 1 13 13 G N2 N 15 71.5 . . 1 . . . . . . . . 4226 1 246 . 1 1 13 13 G N7 N 15 232.8 . . 1 . . . . . . . . 4226 1 247 . 1 1 13 13 G N9 N 15 168.0 . . 1 . . . . . . . . 4226 1 248 . 1 1 13 13 G C1' C 13 93.5 . . 1 . . . . . . . . 4226 1 249 . 1 1 13 13 G C2' C 13 75.7 . . 1 . . . . . . . . 4226 1 250 . 1 1 13 13 G C3' C 13 73.3 . . 1 . . . . . . . . 4226 1 251 . 1 1 13 13 G C4' C 13 82.6 . . 1 . . . . . . . . 4226 1 252 . 1 1 13 13 G C5' C 13 66.7 . . 1 . . . . . . . . 4226 1 253 . 1 1 13 13 G C8 C 13 136.4 . . 1 . . . . . . . . 4226 1 254 . 1 1 14 14 C H6 H 1 7.40 . . 1 . . . . . . . . 4226 1 255 . 1 1 14 14 C H5 H 1 5.12 . . 1 . . . . . . . . 4226 1 256 . 1 1 14 14 C H1' H 1 5.51 . . 1 . . . . . . . . 4226 1 257 . 1 1 14 14 C H2' H 1 4.42 . . 1 . . . . . . . . 4226 1 258 . 1 1 14 14 C H3' H 1 4.49 . . 1 . . . . . . . . 4226 1 259 . 1 1 14 14 C H4' H 1 4.37 . . 1 . . . . . . . . 4226 1 260 . 1 1 14 14 C H5' H 1 4.09 . . 5 . . . . . . . . 4226 1 261 . 1 1 14 14 C H5'' H 1 4.47 . . 5 . . . . . . . . 4226 1 262 . 1 1 14 14 C H41 H 1 6.79 . . 2 . . . . . . . . 4226 1 263 . 1 1 14 14 C H42 H 1 8.22 . . 2 . . . . . . . . 4226 1 264 . 1 1 14 14 C N4 N 15 99.0 . . 1 . . . . . . . . 4226 1 265 . 1 1 14 14 C N1 N 15 149.1 . . 1 . . . . . . . . 4226 1 266 . 1 1 14 14 C C1' C 13 94.0 . . 1 . . . . . . . . 4226 1 267 . 1 1 14 14 C C2' C 13 76.1 . . 1 . . . . . . . . 4226 1 268 . 1 1 14 14 C C3' C 13 72.3 . . 1 . . . . . . . . 4226 1 269 . 1 1 14 14 C C4' C 13 82.2 . . 1 . . . . . . . . 4226 1 270 . 1 1 14 14 C C5' C 13 64.5 . . 5 . . . . . . . . 4226 1 271 . 1 1 14 14 C C5 C 13 98.0 . . 1 . . . . . . . . 4226 1 272 . 1 1 14 14 C C4 C 13 168.0 . . 1 . . . . . . . . 4226 1 273 . 1 1 14 14 C C6 C 13 139.6 . . 1 . . . . . . . . 4226 1 274 . 1 1 15 15 G H8 H 1 7.50 . . 1 . . . . . . . . 4226 1 275 . 1 1 15 15 G H1' H 1 5.77 . . 1 . . . . . . . . 4226 1 276 . 1 1 15 15 G H2' H 1 4.49 . . 1 . . . . . . . . 4226 1 277 . 1 1 15 15 G H3' H 1 4.71 . . 1 . . . . . . . . 4226 1 278 . 1 1 15 15 G H4' H 1 4.41 . . 1 . . . . . . . . 4226 1 279 . 1 1 15 15 G H5' H 1 4.18 . . 2 . . . . . . . . 4226 1 280 . 1 1 15 15 G H5'' H 1 4.46 . . 2 . . . . . . . . 4226 1 281 . 1 1 15 15 G H1 H 1 10.64 . . 1 . . . . . . . . 4226 1 282 . 1 1 15 15 G N1 N 15 144.3 . . 1 . . . . . . . . 4226 1 283 . 1 1 15 15 G N7 N 15 234.7 . . 1 . . . . . . . . 4226 1 284 . 1 1 15 15 G N9 N 15 168.9 . . 1 . . . . . . . . 4226 1 285 . 1 1 15 15 G C1' C 13 93.5 . . 1 . . . . . . . . 4226 1 286 . 1 1 15 15 G C2' C 13 76.3 . . 1 . . . . . . . . 4226 1 287 . 1 1 15 15 G C3' C 13 72.9 . . 1 . . . . . . . . 4226 1 288 . 1 1 15 15 G C4' C 13 82.6 . . 1 . . . . . . . . 4226 1 289 . 1 1 15 15 G C5' C 13 66.8 . . 1 . . . . . . . . 4226 1 290 . 1 1 15 15 G C8 C 13 136.4 . . 1 . . . . . . . . 4226 1 291 . 1 1 16 16 A H8 H 1 8.42 . . 1 . . . . . . . . 4226 1 292 . 1 1 16 16 A H2 H 1 7.82 . . 1 . . . . . . . . 4226 1 293 . 1 1 16 16 A H1' H 1 5.72 . . 1 . . . . . . . . 4226 1 294 . 1 1 16 16 A H2' H 1 4.79 . . 1 . . . . . . . . 4226 1 295 . 1 1 16 16 A H3' H 1 4.49 . . 1 . . . . . . . . 4226 1 296 . 1 1 16 16 A H4' H 1 4.27 . . 1 . . . . . . . . 4226 1 297 . 1 1 16 16 A H5' H 1 3.98 . . 2 . . . . . . . . 4226 1 298 . 1 1 16 16 A H5'' H 1 4.27 . . 2 . . . . . . . . 4226 1 299 . 1 1 16 16 A H61 H 1 6.55 . . 1 . . . . . . . . 4226 1 300 . 1 1 16 16 A H62 H 1 6.55 . . 1 . . . . . . . . 4226 1 301 . 1 1 16 16 A N6 N 15 78.0 . . 1 . . . . . . . . 4226 1 302 . 1 1 16 16 A N1 N 15 214.9 . . 1 . . . . . . . . 4226 1 303 . 1 1 16 16 A N3 N 15 222.5 . . 1 . . . . . . . . 4226 1 304 . 1 1 16 16 A N7 N 15 228.1 . . 1 . . . . . . . . 4226 1 305 . 1 1 16 16 A N9 N 15 167.9 . . 1 . . . . . . . . 4226 1 306 . 1 1 16 16 A C1' C 13 92.2 . . 1 . . . . . . . . 4226 1 307 . 1 1 16 16 A C2' C 13 76.0 . . 1 . . . . . . . . 4226 1 308 . 1 1 16 16 A C3' C 13 74.2 . . 1 . . . . . . . . 4226 1 309 . 1 1 16 16 A C4' C 13 84.1 . . 1 . . . . . . . . 4226 1 310 . 1 1 16 16 A C5' C 13 65.3 . . 1 . . . . . . . . 4226 1 311 . 1 1 16 16 A C2 C 13 154.4 . . 1 . . . . . . . . 4226 1 312 . 1 1 16 16 A C8 C 13 142.6 . . 1 . . . . . . . . 4226 1 313 . 1 1 17 17 A H8 H 1 7.96 . . 1 . . . . . . . . 4226 1 314 . 1 1 17 17 A H2 H 1 7.78 . . 1 . . . . . . . . 4226 1 315 . 1 1 17 17 A H1' H 1 5.45 . . 1 . . . . . . . . 4226 1 316 . 1 1 17 17 A H2' H 1 4.33 . . 1 . . . . . . . . 4226 1 317 . 1 1 17 17 A H3' H 1 4.57 . . 1 . . . . . . . . 4226 1 318 . 1 1 17 17 A H4' H 1 4.25 . . 1 . . . . . . . . 4226 1 319 . 1 1 17 17 A H5' H 1 3.88 . . 2 . . . . . . . . 4226 1 320 . 1 1 17 17 A H5'' H 1 3.90 . . 2 . . . . . . . . 4226 1 321 . 1 1 17 17 A H61 H 1 6.5 . . 1 . . . . . . . . 4226 1 322 . 1 1 17 17 A H62 H 1 6.5 . . 1 . . . . . . . . 4226 1 323 . 1 1 17 17 A N6 N 15 79.5 . . 1 . . . . . . . . 4226 1 324 . 1 1 17 17 A N1 N 15 214.0 . . 1 . . . . . . . . 4226 1 325 . 1 1 17 17 A N3 N 15 223.7 . . 1 . . . . . . . . 4226 1 326 . 1 1 17 17 A N7 N 15 226.7 . . 1 . . . . . . . . 4226 1 327 . 1 1 17 17 A N9 N 15 168.7 . . 1 . . . . . . . . 4226 1 328 . 1 1 17 17 A C1' C 13 92.7 . . 1 . . . . . . . . 4226 1 329 . 1 1 17 17 A C2' C 13 76.8 . . 1 . . . . . . . . 4226 1 330 . 1 1 17 17 A C3' C 13 74.9 . . 1 . . . . . . . . 4226 1 331 . 1 1 17 17 A C4' C 13 83.9 . . 1 . . . . . . . . 4226 1 332 . 1 1 17 17 A C5' C 13 65.7 . . 1 . . . . . . . . 4226 1 333 . 1 1 17 17 A C2 C 13 154.5 . . 1 . . . . . . . . 4226 1 334 . 1 1 17 17 A C8 C 13 140.6 . . 1 . . . . . . . . 4226 1 335 . 1 1 18 18 A H8 H 1 8.20 . . 1 . . . . . . . . 4226 1 336 . 1 1 18 18 A H2 H 1 8.10 . . 1 . . . . . . . . 4226 1 337 . 1 1 18 18 A H1' H 1 6.06 . . 1 . . . . . . . . 4226 1 338 . 1 1 18 18 A H2' H 1 4.52 . . 1 . . . . . . . . 4226 1 339 . 1 1 18 18 A H3' H 1 5.16 . . 1 . . . . . . . . 4226 1 340 . 1 1 18 18 A H4' H 1 4.48 . . 1 . . . . . . . . 4226 1 341 . 1 1 18 18 A H5' H 1 4.35 . . 2 . . . . . . . . 4226 1 342 . 1 1 18 18 A H5'' H 1 4.52 . . 2 . . . . . . . . 4226 1 343 . 1 1 18 18 A H61 H 1 6.9 . . 1 . . . . . . . . 4226 1 344 . 1 1 18 18 A H62 H 1 6.9 . . 1 . . . . . . . . 4226 1 345 . 1 1 18 18 A N6 N 15 80.2 . . 1 . . . . . . . . 4226 1 346 . 1 1 18 18 A N3 N 15 224.6 . . 1 . . . . . . . . 4226 1 347 . 1 1 18 18 A N7 N 15 229.8 . . 1 . . . . . . . . 4226 1 348 . 1 1 18 18 A N9 N 15 171.5 . . 1 . . . . . . . . 4226 1 349 . 1 1 18 18 A C1' C 13 92.4 . . 1 . . . . . . . . 4226 1 350 . 1 1 18 18 A C2' C 13 77.1 . . 1 . . . . . . . . 4226 1 351 . 1 1 18 18 A C3' C 13 74.0 . . 1 . . . . . . . . 4226 1 352 . 1 1 18 18 A C4' C 13 83.1 . . 1 . . . . . . . . 4226 1 353 . 1 1 18 18 A C5' C 13 66.4 . . 1 . . . . . . . . 4226 1 354 . 1 1 18 18 A C2 C 13 155.6 . . 1 . . . . . . . . 4226 1 355 . 1 1 18 18 A C8 C 13 141.3 . . 1 . . . . . . . . 4226 1 356 . 1 1 19 19 G H8 H 1 7.88 . . 1 . . . . . . . . 4226 1 357 . 1 1 19 19 G H1' H 1 3.72 . . 1 . . . . . . . . 4226 1 358 . 1 1 19 19 G H2' H 1 4.46 . . 1 . . . . . . . . 4226 1 359 . 1 1 19 19 G H3' H 1 3.97 . . 1 . . . . . . . . 4226 1 360 . 1 1 19 19 G H4' H 1 4.20 . . 1 . . . . . . . . 4226 1 361 . 1 1 19 19 G H5' H 1 4.23 . . 2 . . . . . . . . 4226 1 362 . 1 1 19 19 G H5'' H 1 4.34 . . 2 . . . . . . . . 4226 1 363 . 1 1 19 19 G H1 H 1 13.09 . . 1 . . . . . . . . 4226 1 364 . 1 1 19 19 G H21 H 1 6.38 . . 2 . . . . . . . . 4226 1 365 . 1 1 19 19 G H22 H 1 8.69 . . 2 . . . . . . . . 4226 1 366 . 1 1 19 19 G N1 N 15 146.3 . . 1 . . . . . . . . 4226 1 367 . 1 1 19 19 G N2 N 15 74.2 . . 1 . . . . . . . . 4226 1 368 . 1 1 19 19 G N7 N 15 232.5 . . 1 . . . . . . . . 4226 1 369 . 1 1 19 19 G N9 N 15 168.3 . . 1 . . . . . . . . 4226 1 370 . 1 1 19 19 G C1' C 13 93.4 . . 1 . . . . . . . . 4226 1 371 . 1 1 19 19 G C2' C 13 74.6 . . 1 . . . . . . . . 4226 1 372 . 1 1 19 19 G C3' C 13 74.6 . . 1 . . . . . . . . 4226 1 373 . 1 1 19 19 G C4' C 13 83.4 . . 1 . . . . . . . . 4226 1 374 . 1 1 19 19 G C5' C 13 69.9 . . 1 . . . . . . . . 4226 1 375 . 1 1 19 19 G C8 C 13 137.6 . . 1 . . . . . . . . 4226 1 376 . 1 1 20 20 U H6 H 1 7.66 . . 1 . . . . . . . . 4226 1 377 . 1 1 20 20 U H5 H 1 5.35 . . 1 . . . . . . . . 4226 1 378 . 1 1 20 20 U H1' H 1 5.52 . . 1 . . . . . . . . 4226 1 379 . 1 1 20 20 U H2' H 1 4.15 . . 1 . . . . . . . . 4226 1 380 . 1 1 20 20 U H3' H 1 4.50 . . 1 . . . . . . . . 4226 1 381 . 1 1 20 20 U H4' H 1 4.40 . . 1 . . . . . . . . 4226 1 382 . 1 1 20 20 U H5' H 1 4.02 . . 2 . . . . . . . . 4226 1 383 . 1 1 20 20 U H5'' H 1 4.36 . . 2 . . . . . . . . 4226 1 384 . 1 1 20 20 U H3 H 1 11.95 . . 1 . . . . . . . . 4226 1 385 . 1 1 20 20 U N3 N 15 157.2 . . 1 . . . . . . . . 4226 1 386 . 1 1 20 20 U N1 N 15 144.6 . . 1 . . . . . . . . 4226 1 387 . 1 1 20 20 U C1' C 13 94.3 . . 1 . . . . . . . . 4226 1 388 . 1 1 20 20 U C2' C 13 75.9 . . 1 . . . . . . . . 4226 1 389 . 1 1 20 20 U C3' C 13 72.3 . . 1 . . . . . . . . 4226 1 390 . 1 1 20 20 U C4' C 13 82.6 . . 1 . . . . . . . . 4226 1 391 . 1 1 20 20 U C5' C 13 64.4 . . 1 . . . . . . . . 4226 1 392 . 1 1 20 20 U C5 C 13 104.0 . . 1 . . . . . . . . 4226 1 393 . 1 1 20 20 U C6 C 13 141.0 . . 1 . . . . . . . . 4226 1 394 . 1 1 21 21 U H6 H 1 8.05 . . 1 . . . . . . . . 4226 1 395 . 1 1 21 21 U H5 H 1 5.57 . . 1 . . . . . . . . 4226 1 396 . 1 1 21 21 U H1' H 1 5.64 . . 1 . . . . . . . . 4226 1 397 . 1 1 21 21 U H2' H 1 4.65 . . 1 . . . . . . . . 4226 1 398 . 1 1 21 21 U H3' H 1 4.65 . . 1 . . . . . . . . 4226 1 399 . 1 1 21 21 U H4' H 1 4.45 . . 1 . . . . . . . . 4226 1 400 . 1 1 21 21 U H5' H 1 4.10 . . 2 . . . . . . . . 4226 1 401 . 1 1 21 21 U H5'' H 1 4.56 . . 2 . . . . . . . . 4226 1 402 . 1 1 21 21 U H3 H 1 13.73 . . 1 . . . . . . . . 4226 1 403 . 1 1 21 21 U N3 N 15 160.9 . . 1 . . . . . . . . 4226 1 404 . 1 1 21 21 U N1 N 15 145.2 . . 1 . . . . . . . . 4226 1 405 . 1 1 21 21 U C1' C 13 93.2 . . 1 . . . . . . . . 4226 1 406 . 1 1 21 21 U C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 407 . 1 1 21 21 U C3' C 13 72.8 . . 1 . . . . . . . . 4226 1 408 . 1 1 21 21 U C4' C 13 82.1 . . 1 . . . . . . . . 4226 1 409 . 1 1 21 21 U C5' C 13 64.8 . . 1 . . . . . . . . 4226 1 410 . 1 1 21 21 U C5 C 13 104.0 . . 1 . . . . . . . . 4226 1 411 . 1 1 21 21 U C6 C 13 142.9 . . 1 . . . . . . . . 4226 1 412 . 1 1 22 22 G H8 H 1 7.63 . . 1 . . . . . . . . 4226 1 413 . 1 1 22 22 G H1' H 1 5.75 . . 1 . . . . . . . . 4226 1 414 . 1 1 22 22 G H2' H 1 4.58 . . 1 . . . . . . . . 4226 1 415 . 1 1 22 22 G H3' H 1 4.54 . . 1 . . . . . . . . 4226 1 416 . 1 1 22 22 G H4' H 1 4.53 . . 1 . . . . . . . . 4226 1 417 . 1 1 22 22 G H5' H 1 4.19 . . 2 . . . . . . . . 4226 1 418 . 1 1 22 22 G H5'' H 1 4.53 . . 2 . . . . . . . . 4226 1 419 . 1 1 22 22 G H1 H 1 12.09 . . 1 . . . . . . . . 4226 1 420 . 1 1 22 22 G H21 H 1 5.80 . . 2 . . . . . . . . 4226 1 421 . 1 1 22 22 G H22 H 1 7.88 . . 2 . . . . . . . . 4226 1 422 . 1 1 22 22 G N1 N 15 144.9 . . 1 . . . . . . . . 4226 1 423 . 1 1 22 22 G N2 N 15 73.3 . . 1 . . . . . . . . 4226 1 424 . 1 1 22 22 G N7 N 15 233.1 . . 1 . . . . . . . . 4226 1 425 . 1 1 22 22 G N9 N 15 168.1 . . 1 . . . . . . . . 4226 1 426 . 1 1 22 22 G C1' C 13 92.9 . . 1 . . . . . . . . 4226 1 427 . 1 1 22 22 G C2' C 13 75.7 . . 1 . . . . . . . . 4226 1 428 . 1 1 22 22 G C3' C 13 73.4 . . 1 . . . . . . . . 4226 1 429 . 1 1 22 22 G C4' C 13 82.5 . . 1 . . . . . . . . 4226 1 430 . 1 1 22 22 G C5' C 13 66.4 . . 1 . . . . . . . . 4226 1 431 . 1 1 22 22 G C8 C 13 136.4 . . 1 . . . . . . . . 4226 1 432 . 1 1 23 23 G H8 H 1 7.16 . . 1 . . . . . . . . 4226 1 433 . 1 1 23 23 G H1' H 1 5.66 . . 1 . . . . . . . . 4226 1 434 . 1 1 23 23 G H2' H 1 4.47 . . 1 . . . . . . . . 4226 1 435 . 1 1 23 23 G H3' H 1 4.52 . . 1 . . . . . . . . 4226 1 436 . 1 1 23 23 G H4' H 1 4.41 . . 1 . . . . . . . . 4226 1 437 . 1 1 23 23 G H5' H 1 4.06 . . 2 . . . . . . . . 4226 1 438 . 1 1 23 23 G H5'' H 1 4.51 . . 2 . . . . . . . . 4226 1 439 . 1 1 23 23 G H1 H 1 12.97 . . 1 . . . . . . . . 4226 1 440 . 1 1 23 23 G N1 N 15 146.5 . . 1 . . . . . . . . 4226 1 441 . 1 1 23 23 G N7 N 15 232.6 . . 1 . . . . . . . . 4226 1 442 . 1 1 23 23 G N9 N 15 167.7 . . 1 . . . . . . . . 4226 1 443 . 1 1 23 23 G C1' C 13 93.2 . . 1 . . . . . . . . 4226 1 444 . 1 1 23 23 G C2' C 13 75.7 . . 1 . . . . . . . . 4226 1 445 . 1 1 23 23 G C3' C 13 73.1 . . 1 . . . . . . . . 4226 1 446 . 1 1 23 23 G C4' C 13 82.7 . . 1 . . . . . . . . 4226 1 447 . 1 1 23 23 G C5' C 13 65.4 . . 1 . . . . . . . . 4226 1 448 . 1 1 23 23 G C8 C 13 136.3 . . 1 . . . . . . . . 4226 1 449 . 1 1 24 24 G H8 H 1 7.58 . . 1 . . . . . . . . 4226 1 450 . 1 1 24 24 G H1' H 1 5.71 . . 1 . . . . . . . . 4226 1 451 . 1 1 24 24 G H2' H 1 4.68 . . 1 . . . . . . . . 4226 1 452 . 1 1 24 24 G H3' H 1 4.73 . . 1 . . . . . . . . 4226 1 453 . 1 1 24 24 G H4' H 1 4.53 . . 1 . . . . . . . . 4226 1 454 . 1 1 24 24 G H5' H 1 4.15 . . 2 . . . . . . . . 4226 1 455 . 1 1 24 24 G H5'' H 1 4.39 . . 2 . . . . . . . . 4226 1 456 . 1 1 24 24 G N7 N 15 234.0 . . 1 . . . . . . . . 4226 1 457 . 1 1 24 24 G N9 N 15 166.3 . . 1 . . . . . . . . 4226 1 458 . 1 1 24 24 G C1' C 13 91.1 . . 1 . . . . . . . . 4226 1 459 . 1 1 24 24 G C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 460 . 1 1 24 24 G C3' C 13 75.8 . . 1 . . . . . . . . 4226 1 461 . 1 1 24 24 G C4' C 13 84.4 . . 1 . . . . . . . . 4226 1 462 . 1 1 24 24 G C5' C 13 66.6 . . 1 . . . . . . . . 4226 1 463 . 1 1 24 24 G C8 C 13 138.5 . . 1 . . . . . . . . 4226 1 464 . 1 1 25 25 A H8 H 1 8.31 . . 1 . . . . . . . . 4226 1 465 . 1 1 25 25 A H2 H 1 7.95 . . 1 . . . . . . . . 4226 1 466 . 1 1 25 25 A H1' H 1 6.03 . . 1 . . . . . . . . 4226 1 467 . 1 1 25 25 A H2' H 1 4.82 . . 1 . . . . . . . . 4226 1 468 . 1 1 25 25 A H3' H 1 4.63 . . 1 . . . . . . . . 4226 1 469 . 1 1 25 25 A H4' H 1 4.59 . . 1 . . . . . . . . 4226 1 470 . 1 1 25 25 A H5' H 1 4.29 . . 2 . . . . . . . . 4226 1 471 . 1 1 25 25 A H5'' H 1 4.50 . . 2 . . . . . . . . 4226 1 472 . 1 1 25 25 A N3 N 15 218.4 . . 1 . . . . . . . . 4226 1 473 . 1 1 25 25 A N7 N 15 232.6 . . 1 . . . . . . . . 4226 1 474 . 1 1 25 25 A N9 N 15 173.6 . . 1 . . . . . . . . 4226 1 475 . 1 1 25 25 A C1' C 13 92.9 . . 1 . . . . . . . . 4226 1 476 . 1 1 25 25 A C2' C 13 75.8 . . 1 . . . . . . . . 4226 1 477 . 1 1 25 25 A C3' C 13 74.1 . . 1 . . . . . . . . 4226 1 478 . 1 1 25 25 A C4' C 13 83.4 . . 1 . . . . . . . . 4226 1 479 . 1 1 25 25 A C5' C 13 67.2 . . 1 . . . . . . . . 4226 1 480 . 1 1 25 25 A C2 C 13 148.5 . . 1 . . . . . . . . 4226 1 481 . 1 1 25 25 A C8 C 13 143.0 . . 1 . . . . . . . . 4226 1 482 . 1 1 26 26 G H8 H 1 7.28 . . 1 . . . . . . . . 4226 1 483 . 1 1 26 26 G H1' H 1 5.50 . . 1 . . . . . . . . 4226 1 484 . 1 1 26 26 G H2' H 1 4.46 . . 1 . . . . . . . . 4226 1 485 . 1 1 26 26 G H3' H 1 4.46 . . 1 . . . . . . . . 4226 1 486 . 1 1 26 26 G H4' H 1 4.48 . . 1 . . . . . . . . 4226 1 487 . 1 1 26 26 G H5' H 1 4.14 . . 2 . . . . . . . . 4226 1 488 . 1 1 26 26 G H5'' H 1 4.47 . . 2 . . . . . . . . 4226 1 489 . 1 1 26 26 G H1 H 1 13.47 . . 1 . . . . . . . . 4226 1 490 . 1 1 26 26 G H21 H 1 6.70 . . 2 . . . . . . . . 4226 1 491 . 1 1 26 26 G H22 H 1 8.76 . . 2 . . . . . . . . 4226 1 492 . 1 1 26 26 G N1 N 15 147.2 . . 1 . . . . . . . . 4226 1 493 . 1 1 26 26 G N2 N 15 75.6 . . 1 . . . . . . . . 4226 1 494 . 1 1 26 26 G N7 N 15 233.3 . . 1 . . . . . . . . 4226 1 495 . 1 1 26 26 G N9 N 15 168.0 . . 1 . . . . . . . . 4226 1 496 . 1 1 26 26 G C1' C 13 93.2 . . 1 . . . . . . . . 4226 1 497 . 1 1 26 26 G C2' C 13 75.4 . . 1 . . . . . . . . 4226 1 498 . 1 1 26 26 G C3' C 13 73.0 . . 1 . . . . . . . . 4226 1 499 . 1 1 26 26 G C4' C 13 82.9 . . 1 . . . . . . . . 4226 1 500 . 1 1 26 26 G C5' C 13 65.9 . . 1 . . . . . . . . 4226 1 501 . 1 1 26 26 G C8 C 13 136.4 . . 1 . . . . . . . . 4226 1 502 . 1 1 27 27 U H6 H 1 7.78 . . 1 . . . . . . . . 4226 1 503 . 1 1 27 27 U H5 H 1 5.07 . . 1 . . . . . . . . 4226 1 504 . 1 1 27 27 U H1' H 1 5.59 . . 1 . . . . . . . . 4226 1 505 . 1 1 27 27 U H2' H 1 4.52 . . 1 . . . . . . . . 4226 1 506 . 1 1 27 27 U H3' H 1 4.53 . . 5 . . . . . . . . 4226 1 507 . 1 1 27 27 U H4' H 1 4.47 . . 1 . . . . . . . . 4226 1 508 . 1 1 27 27 U H5' H 1 4.11 . . 5 . . . . . . . . 4226 1 509 . 1 1 27 27 U H5'' H 1 4.56 . . 5 . . . . . . . . 4226 1 510 . 1 1 27 27 U H3 H 1 14.45 . . 1 . . . . . . . . 4226 1 511 . 1 1 27 27 U N3 N 15 161.4 . . 1 . . . . . . . . 4226 1 512 . 1 1 27 27 U N1 N 15 145.5 . . 1 . . . . . . . . 4226 1 513 . 1 1 27 27 U C1' C 13 94.1 . . 1 . . . . . . . . 4226 1 514 . 1 1 27 27 U C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 515 . 1 1 27 27 U C3' C 13 72.4 . . 1 . . . . . . . . 4226 1 516 . 1 1 27 27 U C4' C 13 82.3 . . 1 . . . . . . . . 4226 1 517 . 1 1 27 27 U C5' C 13 64.7 . . 5 . . . . . . . . 4226 1 518 . 1 1 27 27 U C5 C 13 102.7 . . 1 . . . . . . . . 4226 1 519 . 1 1 27 27 U C6 C 13 142.0 . . 1 . . . . . . . . 4226 1 520 . 1 1 28 28 C H6 H 1 7.85 . . 1 . . . . . . . . 4226 1 521 . 1 1 28 28 C H5 H 1 5.67 . . 1 . . . . . . . . 4226 1 522 . 1 1 28 28 C H1' H 1 5.59 . . 1 . . . . . . . . 4226 1 523 . 1 1 28 28 C H2' H 1 4.54 . . 1 . . . . . . . . 4226 1 524 . 1 1 28 28 C H3' H 1 4.53 . . 5 . . . . . . . . 4226 1 525 . 1 1 28 28 C H4' H 1 4.47 . . 1 . . . . . . . . 4226 1 526 . 1 1 28 28 C H5' H 1 4.12 . . 5 . . . . . . . . 4226 1 527 . 1 1 28 28 C H5'' H 1 4.54 . . 5 . . . . . . . . 4226 1 528 . 1 1 28 28 C H41 H 1 6.92 . . 2 . . . . . . . . 4226 1 529 . 1 1 28 28 C H42 H 1 8.45 . . 2 . . . . . . . . 4226 1 530 . 1 1 28 28 C N4 N 15 96.9 . . 1 . . . . . . . . 4226 1 531 . 1 1 28 28 C N1 N 15 149.2 . . 1 . . . . . . . . 4226 1 532 . 1 1 28 28 C C1' C 13 94.0 . . 1 . . . . . . . . 4226 1 533 . 1 1 28 28 C C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 534 . 1 1 28 28 C C3' C 13 72.9 . . 1 . . . . . . . . 4226 1 535 . 1 1 28 28 C C4' C 13 82.3 . . 1 . . . . . . . . 4226 1 536 . 1 1 28 28 C C5' C 13 65.4 . . 5 . . . . . . . . 4226 1 537 . 1 1 28 28 C C5 C 13 98.4 . . 1 . . . . . . . . 4226 1 538 . 1 1 28 28 C C4 C 13 168.6 . . 1 . . . . . . . . 4226 1 539 . 1 1 28 28 C C6 C 13 141.3 . . 1 . . . . . . . . 4226 1 540 . 1 1 29 29 G H8 H 1 7.63 . . 1 . . . . . . . . 4226 1 541 . 1 1 29 29 G H1' H 1 5.71 . . 1 . . . . . . . . 4226 1 542 . 1 1 29 29 G H2' H 1 4.40 . . 1 . . . . . . . . 4226 1 543 . 1 1 29 29 G H3' H 1 4.58 . . 1 . . . . . . . . 4226 1 544 . 1 1 29 29 G H4' H 1 4.46 . . 1 . . . . . . . . 4226 1 545 . 1 1 29 29 G H5' H 1 4.11 . . 2 . . . . . . . . 4226 1 546 . 1 1 29 29 G H5'' H 1 4.55 . . 2 . . . . . . . . 4226 1 547 . 1 1 29 29 G H1 H 1 13.02 . . 1 . . . . . . . . 4226 1 548 . 1 1 29 29 G N1 N 15 145.8 . . 1 . . . . . . . . 4226 1 549 . 1 1 29 29 G N7 N 15 233.6 . . 1 . . . . . . . . 4226 1 550 . 1 1 29 29 G N9 N 15 167.7 . . 1 . . . . . . . . 4226 1 551 . 1 1 29 29 G C1' C 13 93.3 . . 1 . . . . . . . . 4226 1 552 . 1 1 29 29 G C2' C 13 75.6 . . 1 . . . . . . . . 4226 1 553 . 1 1 29 29 G C3' C 13 72.8 . . 1 . . . . . . . . 4226 1 554 . 1 1 29 29 G C4' C 13 82.5 . . 1 . . . . . . . . 4226 1 555 . 1 1 29 29 G C5' C 13 65.6 . . 1 . . . . . . . . 4226 1 556 . 1 1 29 29 G C8 C 13 136.4 . . 1 . . . . . . . . 4226 1 557 . 1 1 30 30 C H6 H 1 7.53 . . 1 . . . . . . . . 4226 1 558 . 1 1 30 30 C H5 H 1 5.28 . . 1 . . . . . . . . 4226 1 559 . 1 1 30 30 C H1' H 1 5.75 . . 1 . . . . . . . . 4226 1 560 . 1 1 30 30 C H2' H 1 3.99 . . 1 . . . . . . . . 4226 1 561 . 1 1 30 30 C H3' H 1 4.17 . . 1 . . . . . . . . 4226 1 562 . 1 1 30 30 C H4' H 1 4.18 . . 1 . . . . . . . . 4226 1 563 . 1 1 30 30 C H5' H 1 4.04 . . 2 . . . . . . . . 4226 1 564 . 1 1 30 30 C H5'' H 1 4.51 . . 2 . . . . . . . . 4226 1 565 . 1 1 30 30 C H41 H 1 7.05 . . 2 . . . . . . . . 4226 1 566 . 1 1 30 30 C H42 H 1 8.35 . . 2 . . . . . . . . 4226 1 567 . 1 1 30 30 C N4 N 15 96.5 . . 1 . . . . . . . . 4226 1 568 . 1 1 30 30 C N1 N 15 151.0 . . 1 . . . . . . . . 4226 1 569 . 1 1 30 30 C C1' C 13 93.1 . . 1 . . . . . . . . 4226 1 570 . 1 1 30 30 C C2' C 13 77.7 . . 1 . . . . . . . . 4226 1 571 . 1 1 30 30 C C3' C 13 69.9 . . 1 . . . . . . . . 4226 1 572 . 1 1 30 30 C C4' C 13 83.9 . . 1 . . . . . . . . 4226 1 573 . 1 1 30 30 C C5' C 13 65.4 . . 1 . . . . . . . . 4226 1 574 . 1 1 30 30 C C5 C 13 97.8 . . 1 . . . . . . . . 4226 1 575 . 1 1 30 30 C C4 C 13 168.6 . . 1 . . . . . . . . 4226 1 576 . 1 1 30 30 C C6 C 13 141.6 . . 1 . . . . . . . . 4226 1 stop_ save_