data_18549 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18549 _Entry.Title ; Solution Structure of Helix-35 Stem-loop from E. coli 23S rRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-26 _Entry.Accession_date 2012-06-26 _Entry.Last_release_date 2013-06-24 _Entry.Original_release_date 2013-06-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edward Nikonowicz . P. . 18549 2 Jiachen Wang . . . 18549 3 Sean Moran . . . 18549 4 James Donarski . . . 18549 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18549 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '23S rRNA' . 18549 'erythromycin resistance' . 18549 methylation . 18549 ribosome . 18549 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18549 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 181 18549 '15N chemical shifts' 42 18549 '1H chemical shifts' 185 18549 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 . . 2013-06-24 2012-06-26 original author . 18549 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LV0 'BMRB Entry Tracking System' 18549 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18549 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Helix-35 Stem-loop from E. coli 23S rRNA' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Sean Moran . . . 18549 1 2 James Donarski . . . 18549 1 3 Jiachen Wang . . . 18549 1 4 Edward Nikonowicz . P. . 18549 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18549 _Assembly.ID 1 _Assembly.Name 'Helix-35 Stem-loop from E. coli 23S rRNA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RNA 1 $RNA A . yes native no no . . . 18549 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 18549 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID H35A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGCUAAUGUUGAAAAAUUA GCCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 132.116 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 G . 18549 1 2 2 G . 18549 1 3 3 G . 18549 1 4 4 C . 18549 1 5 5 U . 18549 1 6 6 A . 18549 1 7 7 A . 18549 1 8 8 U . 18549 1 9 9 G . 18549 1 10 10 U . 18549 1 11 11 U . 18549 1 12 12 G . 18549 1 13 13 A . 18549 1 14 14 A . 18549 1 15 15 A . 18549 1 16 16 A . 18549 1 17 17 A . 18549 1 18 18 U . 18549 1 19 19 U . 18549 1 20 20 A . 18549 1 21 21 G . 18549 1 22 22 C . 18549 1 23 23 C . 18549 1 24 24 C . 18549 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 18549 1 . G 2 2 18549 1 . G 3 3 18549 1 . C 4 4 18549 1 . U 5 5 18549 1 . A 6 6 18549 1 . A 7 7 18549 1 . U 8 8 18549 1 . G 9 9 18549 1 . U 10 10 18549 1 . U 11 11 18549 1 . G 12 12 18549 1 . A 13 13 18549 1 . A 14 14 18549 1 . A 15 15 18549 1 . A 16 16 18549 1 . A 17 17 18549 1 . U 18 18 18549 1 . U 19 19 18549 1 . A 20 20 18549 1 . G 21 21 18549 1 . C 22 22 18549 1 . C 23 23 18549 1 . C 24 24 18549 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 18549 _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 $RNA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . 'E. coli 23S rRNA' . . 18549 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 18549 _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 $RNA . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'IN VITRO TRANSCRIPTION' . . 18549 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN_D2O _Sample.Sf_category sample _Sample.Sf_framecode CN_D2O _Sample.Entry_ID 18549 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA '[U-99% 13C; U-99% 15N]' . . 1 $RNA . . 1.2 . . mM 0.1 . . . 18549 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.5 . . . 18549 1 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18549 1 stop_ save_ save_NatAb_D2O _Sample.Sf_category sample _Sample.Sf_framecode NatAb_D2O _Sample.Entry_ID 18549 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA 'natural abundance' . . 1 $RNA . . 1.6 . . mM 0.1 . . . 18549 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 2 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.5 . . . 18549 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18549 2 stop_ save_ save_NatAb_H2O _Sample.Sf_category sample _Sample.Sf_framecode NatAb_H2O _Sample.Entry_ID 18549 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA 'natural abundance' . . 1 $RNA . . 1.6 . . mM 0.1 . . . 18549 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 3 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 3 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.5 . . . 18549 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18549 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18549 3 stop_ save_ save_CN_H2O _Sample.Sf_category sample _Sample.Sf_framecode CN_H2O _Sample.Entry_ID 18549 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA '[U-99% 13C; U-99% 15N]' . . 1 $RNA . . 1.2 . . mM 0.1 . . . 18549 4 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 4 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM 1.0 . . . 18549 4 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.5 . . . 18549 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18549 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18549 4 stop_ save_ ####################### # Sample conditions # ####################### save_25C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 25C _Sample_condition_list.Entry_ID 18549 _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' 20 . mM 18549 1 pH 6.8 . pH 18549 1 pressure 1 . atm 18549 1 temperature 298 . K 18549 1 stop_ save_ save_10C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 10C _Sample_condition_list.Entry_ID 18549 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 18549 2 pH 6.8 . pH 18549 2 pressure 1 . atm 18549 2 temperature 283 . K 18549 2 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18549 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18549 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18549 1 'structure solution' 18549 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18549 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18549 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18549 2 refinement 18549 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18549 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18549 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18549 3 refinement 18549 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18549 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18549 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18549 _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 spectrometer_1 Varian INOVA . 600 . . . 18549 1 2 spectrometer_2 Varian INOVA . 500 . . . 18549 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 18549 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $CN_H2O isotropic . . 2 $10C . . . . . . . . . . . . . . . . . . . . . 18549 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $CN_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $NatAb_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 6 '2D DQF-COSY' no . . . . . . . . . . 2 $NatAb_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $NatAb_H2O isotropic . . 2 $10C . . . . . . . . . . . . . . . . . . . . . 18549 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $CN_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 9 '2D 1H-31P HetCor' no . . . . . . . . . . 2 $NatAb_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 10 '2D 1H-15N HMQC' no . . . . . . . . . . 1 $CN_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 11 '2D 1H-13C ctHSQC-31P' no . . . . . . . . . . 1 $CN_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 12 '2D 1H-15N HCN' no . . . . . . . . . . 1 $CN_D2O isotropic . . 1 $25C . . . . . . . . . . . . . . . . . . . . . 18549 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $CN_H2O isotropic . . 2 $10C . . . . . . . . . . . . . . . . . . . . . 18549 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18549 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18549 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18549 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18549 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18549 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_D2Ochemshifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode D2Ochemshifts _Assigned_chem_shift_list.Entry_ID 18549 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.075 _Assigned_chem_shift_list.Chem_shift_15N_err 0.075 _Assigned_chem_shift_list.Chem_shift_31P_err 0.015 _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-13C HSQC' . . . 18549 1 3 '3D HCCH-TOCSY' . . . 18549 1 9 '2D 1H-31P HetCor' . . . 18549 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 C1' C 13 91.05 0.03 . 1 1 . . A 1 GUA C1' . 18549 1 2 . 1 1 1 1 G C2' C 13 76.99 0.03 . 1 1 . . A 1 GUA C2' . 18549 1 3 . 1 1 1 1 G C3' C 13 69.30 0.03 . 1 1 . . A 1 GUA C3' . 18549 1 4 . 1 1 1 1 G C4' C 13 82.88 0.03 . 1 1 . . A 1 GUA C4' . 18549 1 5 . 1 1 1 1 G C5' C 13 64.66 0.03 . 1 1 . . A 1 GUA C5' . 18549 1 6 . 1 1 1 1 G C8 C 13 143.88 0.03 . 1 1 . . A 1 GUA C8 . 18549 1 7 . 1 1 1 1 G H1' H 1 5.93 0.03 . 1 1 . . A 1 GUA H1' . 18549 1 8 . 1 1 1 1 G H2' H 1 4.01 0.03 . 1 1 . . A 1 GUA H2' . 18549 1 9 . 1 1 1 1 G H3' H 1 4.24 0.03 . 1 1 . . A 1 GUA H3' . 18549 1 10 . 1 1 1 1 G H4' H 1 4.20 0.03 . 1 1 . . A 1 GUA H4' . 18549 1 11 . 1 1 1 1 G H5' H 1 4.40 0.03 . 1 1 . . A 1 GUA H5' . 18549 1 12 . 1 1 1 1 G H5'' H 1 4.02 0.03 . 1 1 . . A 1 GUA H5'' . 18549 1 13 . 1 1 1 1 G H8 H 1 8.13 0.03 . 1 1 . . A 1 GUA H8 . 18549 1 14 . 1 1 2 2 G C1' C 13 91.52 0.03 . 1 1 . . A 2 GUA C1' . 18549 1 15 . 1 1 2 2 G C2' C 13 74.76 0.03 . 1 1 . . A 2 GUA C2' . 18549 1 16 . 1 1 2 2 G C3' C 13 72.34 0.03 . 1 1 . . A 2 GUA C3' . 18549 1 17 . 1 1 2 2 G C4' C 13 81.28 0.03 . 1 1 . . A 2 GUA C4' . 18549 1 18 . 1 1 2 2 G C5' C 13 64.75 0.03 . 1 1 . . A 2 GUA C5' . 18549 1 19 . 1 1 2 2 G C8 C 13 139.08 0.03 . 1 1 . . A 2 GUA C8 . 18549 1 20 . 1 1 2 2 G H1' H 1 5.92 0.03 . 1 1 . . A 2 GUA H1' . 18549 1 21 . 1 1 2 2 G H2' H 1 4.54 0.03 . 1 1 . . A 2 GUA H2' . 18549 1 22 . 1 1 2 2 G H3' H 1 4.70 0.03 . 1 1 . . A 2 GUA H3' . 18549 1 23 . 1 1 2 2 G H4' H 1 4.48 0.03 . 1 1 . . A 2 GUA H4' . 18549 1 24 . 1 1 2 2 G H5' H 1 4.51 0.03 . 1 1 . . A 2 GUA H5' . 18549 1 25 . 1 1 2 2 G H5'' H 1 4.16 0.03 . 1 1 . . A 2 GUA H5'' . 18549 1 26 . 1 1 2 2 G H8 H 1 7.58 0.03 . 1 1 . . A 2 GUA H8 . 18549 1 27 . 1 1 2 2 G N7 N 15 234.68 0.06 . 1 1 . . A 2 GUA N7 . 18549 1 28 . 1 1 2 2 G N9 N 15 170.65 0.06 . 1 1 . . A 2 GUA N9 . 18549 1 29 . 1 1 3 3 G C1' C 13 92.30 0.03 . 1 1 . . A 3 GUA C1' . 18549 1 30 . 1 1 3 3 G C2' C 13 74.48 0.03 . 1 1 . . A 3 GUA C2' . 18549 1 31 . 1 1 3 3 G C3' C 13 72.16 0.03 . 1 1 . . A 3 GUA C3' . 18549 1 32 . 1 1 3 3 G C4' C 13 81.27 0.03 . 1 1 . . A 3 GUA C4' . 18549 1 33 . 1 1 3 3 G C5' C 13 64.84 0.03 . 1 1 . . A 3 GUA C5' . 18549 1 34 . 1 1 3 3 G C8 C 13 135.99 0.03 . 1 1 . . A 3 GUA C8 . 18549 1 35 . 1 1 3 3 G H1' H 1 5.77 0.03 . 1 1 . . A 3 GUA H1' . 18549 1 36 . 1 1 3 3 G H2' H 1 4.52 0.03 . 1 1 . . A 3 GUA H2' . 18549 1 37 . 1 1 3 3 G H3' H 1 4.42 0.03 . 1 1 . . A 3 GUA H3' . 18549 1 38 . 1 1 3 3 G H4' H 1 4.47 0.03 . 1 1 . . A 3 GUA H4' . 18549 1 39 . 1 1 3 3 G H5' H 1 4.47 0.03 . 1 1 . . A 3 GUA H5' . 18549 1 40 . 1 1 3 3 G H5'' H 1 4.07 0.03 . 1 1 . . A 3 GUA H5'' . 18549 1 41 . 1 1 3 3 G H8 H 1 7.26 0.03 . 1 1 . . A 3 GUA H8 . 18549 1 42 . 1 1 3 3 G N7 N 15 234.99 0.06 . 1 1 . . A 3 GUA N7 . 18549 1 43 . 1 1 3 3 G N9 N 15 170.13 0.06 . 1 1 . . A 3 GUA N9 . 18549 1 44 . 1 1 4 4 C C1' C 13 93.28 0.03 . 1 1 . . A 4 CYT C1' . 18549 1 45 . 1 1 4 4 C C2 C 13 159.00 0.03 . 1 1 . . A 4 CYT C2 . 18549 1 46 . 1 1 4 4 C C2' C 13 74.58 0.03 . 1 1 . . A 4 CYT C2' . 18549 1 47 . 1 1 4 4 C C3' C 13 71.45 0.03 . 1 1 . . A 4 CYT C3' . 18549 1 48 . 1 1 4 4 C C4 C 13 168.47 0.03 . 1 1 . . A 4 CYT C4 . 18549 1 49 . 1 1 4 4 C C4' C 13 81.09 0.03 . 1 1 . . A 4 CYT C4' . 18549 1 50 . 1 1 4 4 C C5 C 13 97.43 0.03 . 1 1 . . A 4 CYT C5 . 18549 1 51 . 1 1 4 4 C C5' C 13 63.86 0.03 . 1 1 . . A 4 CYT C5' . 18549 1 52 . 1 1 4 4 C C6 C 13 140.94 0.03 . 1 1 . . A 4 CYT C6 . 18549 1 53 . 1 1 4 4 C H1' H 1 5.50 0.03 . 1 1 . . A 4 CYT H1' . 18549 1 54 . 1 1 4 4 C H2' H 1 4.42 0.03 . 1 1 . . A 4 CYT H2' . 18549 1 55 . 1 1 4 4 C H3' H 1 4.37 0.03 . 1 1 . . A 4 CYT H3' . 18549 1 56 . 1 1 4 4 C H4' H 1 4.40 0.03 . 1 1 . . A 4 CYT H4' . 18549 1 57 . 1 1 4 4 C H5 H 1 5.23 0.03 . 1 1 . . A 4 CYT H5 . 18549 1 58 . 1 1 4 4 C H5' H 1 4.50 0.03 . 1 1 . . A 4 CYT H5' . 18549 1 59 . 1 1 4 4 C H5'' H 1 4.03 0.03 . 1 1 . . A 4 CYT H5'' . 18549 1 60 . 1 1 4 4 C H6 H 1 7.59 0.03 . 1 1 . . A 4 CYT H6 . 18549 1 61 . 1 1 5 5 U C1' C 13 92.94 0.03 . 1 1 . . A 5 URI C1' . 18549 1 62 . 1 1 5 5 U C2 C 13 152.51 0.03 . 1 1 . . A 5 URI C2 . 18549 1 63 . 1 1 5 5 U C2' C 13 74.40 0.03 . 1 1 . . A 5 URI C2' . 18549 1 64 . 1 1 5 5 U C3' C 13 71.72 0.03 . 1 1 . . A 5 URI C3' . 18549 1 65 . 1 1 5 5 U C4 C 13 169.44 0.03 . 1 1 . . A 5 URI C4 . 18549 1 66 . 1 1 5 5 U C4' C 13 81.10 0.03 . 1 1 . . A 5 URI C4' . 18549 1 67 . 1 1 5 5 U C5 C 13 103.94 0.03 . 1 1 . . A 5 URI C5 . 18549 1 68 . 1 1 5 5 U C5' C 13 64.04 0.03 . 1 1 . . A 5 URI C5' . 18549 1 69 . 1 1 5 5 U C6 C 13 141.74 0.03 . 1 1 . . A 5 URI C6 . 18549 1 70 . 1 1 5 5 U H1' H 1 5.49 0.03 . 1 1 . . A 5 URI H1' . 18549 1 71 . 1 1 5 5 U H2' H 1 4.56 0.03 . 1 1 . . A 5 URI H2' . 18549 1 72 . 1 1 5 5 U H3' H 1 4.56 0.03 . 1 1 . . A 5 URI H3' . 18549 1 73 . 1 1 5 5 U H4' H 1 4.40 0.03 . 1 1 . . A 5 URI H4' . 18549 1 74 . 1 1 5 5 U H5 H 1 5.48 0.03 . 1 1 . . A 5 URI H5 . 18549 1 75 . 1 1 5 5 U H5' H 1 4.51 0.03 . 1 1 . . A 5 URI H5' . 18549 1 76 . 1 1 5 5 U H5'' H 1 4.08 0.03 . 1 1 . . A 5 URI H5'' . 18549 1 77 . 1 1 5 5 U H6 H 1 7.84 0.03 . 1 1 . . A 5 URI H6 . 18549 1 78 . 1 1 6 6 A C1' C 13 91.52 0.03 . 1 1 . . A 6 ADE C1' . 18549 1 79 . 1 1 6 6 A C2 C 13 152.14 0.03 . 1 1 . . A 6 ADE C2 . 18549 1 80 . 1 1 6 6 A C2' C 13 74.76 0.03 . 1 1 . . A 6 ADE C2' . 18549 1 81 . 1 1 6 6 A C3' C 13 72.34 0.03 . 1 1 . . A 6 ADE C3' . 18549 1 82 . 1 1 6 6 A C4' C 13 81.28 0.03 . 1 1 . . A 6 ADE C4' . 18549 1 83 . 1 1 6 6 A C5' C 13 64.75 0.03 . 1 1 . . A 6 ADE C5' . 18549 1 84 . 1 1 6 6 A C8 C 13 139.83 0.03 . 1 1 . . A 6 ADE C8 . 18549 1 85 . 1 1 6 6 A H1' H 1 5.87 0.03 . 1 1 . . A 6 ADE H1' . 18549 1 86 . 1 1 6 6 A H2 H 1 6.41 0.03 . 1 1 . . A 6 ADE H2 . 18549 1 87 . 1 1 6 6 A H2' H 1 4.52 0.03 . 1 1 . . A 6 ADE H2' . 18549 1 88 . 1 1 6 6 A H3' H 1 4.70 0.03 . 1 1 . . A 6 ADE H3' . 18549 1 89 . 1 1 6 6 A H4' H 1 4.50 0.03 . 1 1 . . A 6 ADE H4' . 18549 1 90 . 1 1 6 6 A H5' H 1 4.52 0.03 . 1 1 . . A 6 ADE H5' . 18549 1 91 . 1 1 6 6 A H5'' H 1 4.15 0.03 . 1 1 . . A 6 ADE H5'' . 18549 1 92 . 1 1 6 6 A H8 H 1 8.13 0.03 . 1 1 . . A 6 ADE H8 . 18549 1 93 . 1 1 6 6 A N1 N 15 222.05 0.06 . 1 1 . . A 6 ADE N1 . 18549 1 94 . 1 1 6 6 A N3 N 15 212.98 0.06 . 1 1 . . A 6 ADE N3 . 18549 1 95 . 1 1 6 6 A N7 N 15 231.71 0.06 . 1 1 . . A 6 ADE N7 . 18549 1 96 . 1 1 6 6 A N9 N 15 171.25 0.06 . 1 1 . . A 6 ADE N9 . 18549 1 97 . 1 1 7 7 A C1' C 13 91.86 0.03 . 1 1 . . A 7 ADE C1' . 18549 1 98 . 1 1 7 7 A C2 C 13 153.77 0.03 . 1 1 . . A 7 ADE C2 . 18549 1 99 . 1 1 7 7 A C2' C 13 74.76 0.03 . 1 1 . . A 7 ADE C2' . 18549 1 100 . 1 1 7 7 A C3' C 13 71.72 0.03 . 1 1 . . A 7 ADE C3' . 18549 1 101 . 1 1 7 7 A C4' C 13 81.19 0.03 . 1 1 . . A 7 ADE C4' . 18549 1 102 . 1 1 7 7 A C5' C 13 64.21 0.03 . 1 1 . . A 7 ADE C5' . 18549 1 103 . 1 1 7 7 A C8 C 13 139.29 0.03 . 1 1 . . A 7 ADE C8 . 18549 1 104 . 1 1 7 7 A H1' H 1 5.79 0.03 . 1 1 . . A 7 ADE H1' . 18549 1 105 . 1 1 7 7 A H2 H 1 7.62 0.03 . 1 1 . . A 7 ADE H2 . 18549 1 106 . 1 1 7 7 A H2' H 1 4.32 0.03 . 1 1 . . A 7 ADE H2' . 18549 1 107 . 1 1 7 7 A H3' H 1 4.49 0.03 . 1 1 . . A 7 ADE H3' . 18549 1 108 . 1 1 7 7 A H4' H 1 4.42 0.03 . 1 1 . . A 7 ADE H4' . 18549 1 109 . 1 1 7 7 A H5' H 1 4.53 0.03 . 1 1 . . A 7 ADE H5' . 18549 1 110 . 1 1 7 7 A H5'' H 1 4.09 0.03 . 1 1 . . A 7 ADE H5'' . 18549 1 111 . 1 1 7 7 A H8 H 1 7.76 0.03 . 1 1 . . A 7 ADE H8 . 18549 1 112 . 1 1 7 7 A N1 N 15 222.74 0.06 . 1 1 . . A 7 ADE N1 . 18549 1 113 . 1 1 7 7 A N3 N 15 213.59 0.06 . 1 1 . . A 7 ADE N3 . 18549 1 114 . 1 1 7 7 A N7 N 15 231.55 0.06 . 1 1 . . A 7 ADE N7 . 18549 1 115 . 1 1 7 7 A N9 N 15 171.95 0.06 . 1 1 . . A 7 ADE N9 . 18549 1 116 . 1 1 8 8 U C1' C 13 92.23 0.03 . 1 1 . . A 8 URI C1' . 18549 1 117 . 1 1 8 8 U C2 C 13 152.38 0.03 . 1 1 . . A 8 URI C2 . 18549 1 118 . 1 1 8 8 U C2' C 13 74.66 0.03 . 1 1 . . A 8 URI C2' . 18549 1 119 . 1 1 8 8 U C3' C 13 71.89 0.03 . 1 1 . . A 8 URI C3' . 18549 1 120 . 1 1 8 8 U C4 C 13 167.99 0.03 . 1 1 . . A 8 URI C4 . 18549 1 121 . 1 1 8 8 U C4' C 13 81.54 0.03 . 1 1 . . A 8 URI C4' . 18549 1 122 . 1 1 8 8 U C5 C 13 103.41 0.03 . 1 1 . . A 8 URI C5 . 18549 1 123 . 1 1 8 8 U C5' C 13 64.13 0.03 . 1 1 . . A 8 URI C5' . 18549 1 124 . 1 1 8 8 U C6 C 13 140.62 0.03 . 1 1 . . A 8 URI C6 . 18549 1 125 . 1 1 8 8 U H1' H 1 5.32 0.03 . 1 1 . . A 8 URI H1' . 18549 1 126 . 1 1 8 8 U H2' H 1 4.21 0.03 . 1 1 . . A 8 URI H2' . 18549 1 127 . 1 1 8 8 U H3' H 1 4.34 0.03 . 1 1 . . A 8 URI H3' . 18549 1 128 . 1 1 8 8 U H4' H 1 4.29 0.03 . 1 1 . . A 8 URI H4' . 18549 1 129 . 1 1 8 8 U H5 H 1 4.96 0.03 . 1 1 . . A 8 URI H5 . 18549 1 130 . 1 1 8 8 U H5' H 1 4.40 0.03 . 1 1 . . A 8 URI H5' . 18549 1 131 . 1 1 8 8 U H5'' H 1 4.00 0.03 . 1 1 . . A 8 URI H5'' . 18549 1 132 . 1 1 8 8 U H6 H 1 7.29 0.03 . 1 1 . . A 8 URI H6 . 18549 1 133 . 1 1 9 9 G C1' C 13 89.82 0.03 . 1 1 . . A 9 GUA C1' . 18549 1 134 . 1 1 9 9 G C2' C 13 74.31 0.03 . 1 1 . . A 9 GUA C2' . 18549 1 135 . 1 1 9 9 G C3' C 13 74.49 0.03 . 1 1 . . A 9 GUA C3' . 18549 1 136 . 1 1 9 9 G C5' C 13 65.46 0.03 . 1 1 . . A 9 GUA C5' . 18549 1 137 . 1 1 9 9 G C8 C 13 137.98 0.03 . 1 1 . . A 9 GUA C8 . 18549 1 138 . 1 1 9 9 G H1' H 1 5.62 0.03 . 1 1 . . A 9 GUA H1' . 18549 1 139 . 1 1 9 9 G H2' H 1 4.41 0.03 . 1 1 . . A 9 GUA H2' . 18549 1 140 . 1 1 9 9 G H3' H 1 4.59 0.03 . 1 1 . . A 9 GUA H3' . 18549 1 141 . 1 1 9 9 G H5' H 1 4.27 0.03 . 1 1 . . A 9 GUA H5' . 18549 1 142 . 1 1 9 9 G H5'' H 1 4.10 0.03 . 1 1 . . A 9 GUA H5'' . 18549 1 143 . 1 1 9 9 G H8 H 1 7.75 0.03 . 1 1 . . A 9 GUA H8 . 18549 1 144 . 1 1 9 9 G N7 N 15 237.80 0.06 . 1 1 . . A 9 GUA N7 . 18549 1 145 . 1 1 9 9 G N9 N 15 169.52 0.06 . 1 1 . . A 9 GUA N9 . 18549 1 146 . 1 1 10 10 U C1' C 13 90.63 0.03 . 1 1 . . A 10 URI C1' . 18549 1 147 . 1 1 10 10 U C2 C 13 153.55 0.03 . 1 1 . . A 10 URI C2 . 18549 1 148 . 1 1 10 10 U C2' C 13 74.66 0.03 . 1 1 . . A 10 URI C2' . 18549 1 149 . 1 1 10 10 U C3' C 13 74.67 0.03 . 1 1 . . A 10 URI C3' . 18549 1 150 . 1 1 10 10 U C4 C 13 167.45 0.03 . 1 1 . . A 10 URI C4 . 18549 1 151 . 1 1 10 10 U C4' C 13 83.33 0.03 . 1 1 . . A 10 URI C4' . 18549 1 152 . 1 1 10 10 U C5 C 13 104.71 0.03 . 1 1 . . A 10 URI C5 . 18549 1 153 . 1 1 10 10 U C5' C 13 65.91 0.03 . 1 1 . . A 10 URI C5' . 18549 1 154 . 1 1 10 10 U C6 C 13 142.57 0.03 . 1 1 . . A 10 URI C6 . 18549 1 155 . 1 1 10 10 U H1' H 1 5.55 0.03 . 1 1 . . A 10 URI H1' . 18549 1 156 . 1 1 10 10 U H2' H 1 4.16 0.03 . 1 1 . . A 10 URI H2' . 18549 1 157 . 1 1 10 10 U H3' H 1 4.42 0.03 . 1 1 . . A 10 URI H3' . 18549 1 158 . 1 1 10 10 U H4' H 1 4.26 0.03 . 1 1 . . A 10 URI H4' . 18549 1 159 . 1 1 10 10 U H5 H 1 5.39 0.03 . 1 1 . . A 10 URI H5 . 18549 1 160 . 1 1 10 10 U H5' H 1 4.24 0.03 . 1 1 . . A 10 URI H5' . 18549 1 161 . 1 1 10 10 U H5'' H 1 4.03 0.03 . 1 1 . . A 10 URI H5'' . 18549 1 162 . 1 1 10 10 U H6 H 1 7.56 0.03 . 1 1 . . A 10 URI H6 . 18549 1 163 . 1 1 11 11 U C1' C 13 90.32 0.03 . 1 1 . . A 11 URI C1' . 18549 1 164 . 1 1 11 11 U C2 C 13 153.83 0.03 . 1 1 . . A 11 URI C2 . 18549 1 165 . 1 1 11 11 U C2' C 13 75.02 0.03 . 1 1 . . A 11 URI C2' . 18549 1 166 . 1 1 11 11 U C3' C 13 76.67 0.03 . 1 1 . . A 11 URI C3' . 18549 1 167 . 1 1 11 11 U C4 C 13 168.40 0.03 . 1 1 . . A 11 URI C4 . 18549 1 168 . 1 1 11 11 U C4' C 13 88.42 0.03 . 1 1 . . A 11 URI C4' . 18549 1 169 . 1 1 11 11 U C5 C 13 105.01 0.03 . 1 1 . . A 11 URI C5 . 18549 1 170 . 1 1 11 11 U C5' C 13 66.27 0.03 . 1 1 . . A 11 URI C5' . 18549 1 171 . 1 1 11 11 U C6 C 13 140.44 0.03 . 1 1 . . A 11 URI C6 . 18549 1 172 . 1 1 11 11 U H1' H 1 5.71 0.03 . 1 1 . . A 11 URI H1' . 18549 1 173 . 1 1 11 11 U H2' H 1 4.27 0.03 . 1 1 . . A 11 URI H2' . 18549 1 174 . 1 1 11 11 U H3' H 1 4.47 0.03 . 1 1 . . A 11 URI H3' . 18549 1 175 . 1 1 11 11 U H4' H 1 4.18 0.03 . 1 1 . . A 11 URI H4' . 18549 1 176 . 1 1 11 11 U H5 H 1 5.68 0.03 . 1 1 . . A 11 URI H5 . 18549 1 177 . 1 1 11 11 U H5' H 1 3.97 0.03 . 1 1 . . A 11 URI H5' . 18549 1 178 . 1 1 11 11 U H5'' H 1 3.94 0.03 . 1 1 . . A 11 URI H5'' . 18549 1 179 . 1 1 11 11 U H6 H 1 7.67 0.03 . 1 1 . . A 11 URI H6 . 18549 1 180 . 1 1 12 12 G C1' C 13 89.53 0.03 . 1 1 . . A 12 GUA C1' . 18549 1 181 . 1 1 12 12 G C2' C 13 75.47 0.03 . 1 1 . . A 12 GUA C2' . 18549 1 182 . 1 1 12 12 G C3' C 13 74.22 0.03 . 1 1 . . A 12 GUA C3' . 18549 1 183 . 1 1 12 12 G C4' C 13 83.69 0.03 . 1 1 . . A 12 GUA C4' . 18549 1 184 . 1 1 12 12 G C5' C 13 66.45 0.03 . 1 1 . . A 12 GUA C5' . 18549 1 185 . 1 1 12 12 G C8 C 13 140.12 0.03 . 1 1 . . A 12 GUA C8 . 18549 1 186 . 1 1 12 12 G H1' H 1 5.53 0.03 . 1 1 . . A 12 GUA H1' . 18549 1 187 . 1 1 12 12 G H2' H 1 4.64 0.03 . 1 1 . . A 12 GUA H2' . 18549 1 188 . 1 1 12 12 G H3' H 1 4.65 0.03 . 1 1 . . A 12 GUA H3' . 18549 1 189 . 1 1 12 12 G H4' H 1 4.24 0.03 . 1 1 . . A 12 GUA H4' . 18549 1 190 . 1 1 12 12 G H5' H 1 4.05 0.03 . 1 1 . . A 12 GUA H5' . 18549 1 191 . 1 1 12 12 G H5'' H 1 3.98 0.03 . 1 1 . . A 12 GUA H5'' . 18549 1 192 . 1 1 12 12 G H8 H 1 7.81 0.03 . 1 1 . . A 12 GUA H8 . 18549 1 193 . 1 1 12 12 G N7 N 15 236.09 0.06 . 1 1 . . A 12 GUA N7 . 18549 1 194 . 1 1 12 12 G N9 N 15 168.61 0.06 . 1 1 . . A 12 GUA N9 . 18549 1 195 . 1 1 13 13 A C1' C 13 89.51 0.03 . 1 1 . . A 13 ADE C1' . 18549 1 196 . 1 1 13 13 A C2 C 13 154.91 0.03 . 1 1 . . A 13 ADE C2 . 18549 1 197 . 1 1 13 13 A C2' C 13 75.29 0.03 . 1 1 . . A 13 ADE C2' . 18549 1 198 . 1 1 13 13 A C3' C 13 75.29 0.03 . 1 1 . . A 13 ADE C3' . 18549 1 199 . 1 1 13 13 A C4' C 13 83.69 0.03 . 1 1 . . A 13 ADE C4' . 18549 1 200 . 1 1 13 13 A C5' C 13 66.45 0.03 . 1 1 . . A 13 ADE C5' . 18549 1 201 . 1 1 13 13 A C8 C 13 141.92 0.03 . 1 1 . . A 13 ADE C8 . 18549 1 202 . 1 1 13 13 A H1' H 1 5.81 0.03 . 1 1 . . A 13 ADE H1' . 18549 1 203 . 1 1 13 13 A H2 H 1 7.91 0.03 . 1 1 . . A 13 ADE H2 . 18549 1 204 . 1 1 13 13 A H2' H 1 4.67 0.03 . 1 1 . . A 13 ADE H2' . 18549 1 205 . 1 1 13 13 A H3' H 1 4.75 0.03 . 1 1 . . A 13 ADE H3' . 18549 1 206 . 1 1 13 13 A H4' H 1 4.32 0.03 . 1 1 . . A 13 ADE H4' . 18549 1 207 . 1 1 13 13 A H5' H 1 4.10 0.03 . 1 1 . . A 13 ADE H5' . 18549 1 208 . 1 1 13 13 A H5'' H 1 4.03 0.03 . 1 1 . . A 13 ADE H5'' . 18549 1 209 . 1 1 13 13 A H8 H 1 8.09 0.03 . 1 1 . . A 13 ADE H8 . 18549 1 210 . 1 1 13 13 A N1 N 15 226.39 0.06 . 1 1 . . A 13 ADE N1 . 18549 1 211 . 1 1 13 13 A N3 N 15 217.75 0.06 . 1 1 . . A 13 ADE N3 . 18549 1 212 . 1 1 13 13 A N7 N 15 231.24 0.06 . 1 1 . . A 13 ADE N7 . 18549 1 213 . 1 1 13 13 A N9 N 15 169.91 0.06 . 1 1 . . A 13 ADE N9 . 18549 1 214 . 1 1 14 14 A C1' C 13 89.80 0.03 . 1 1 . . A 14 ADE C1' . 18549 1 215 . 1 1 14 14 A C2 C 13 154.72 0.03 . 1 1 . . A 14 ADE C2 . 18549 1 216 . 1 1 14 14 A C2' C 13 75.29 0.03 . 1 1 . . A 14 ADE C2' . 18549 1 217 . 1 1 14 14 A C3' C 13 75.20 0.03 . 1 1 . . A 14 ADE C3' . 18549 1 218 . 1 1 14 14 A C4' C 13 83.69 0.03 . 1 1 . . A 14 ADE C4' . 18549 1 219 . 1 1 14 14 A C5' C 13 67.16 0.03 . 1 1 . . A 14 ADE C5' . 18549 1 220 . 1 1 14 14 A C8 C 13 141.48 0.03 . 1 1 . . A 14 ADE C8 . 18549 1 221 . 1 1 14 14 A H1' H 1 5.63 0.03 . 1 1 . . A 14 ADE H1' . 18549 1 222 . 1 1 14 14 A H2 H 1 7.86 0.03 . 1 1 . . A 14 ADE H2 . 18549 1 223 . 1 1 14 14 A H2' H 1 4.63 0.03 . 1 1 . . A 14 ADE H2' . 18549 1 224 . 1 1 14 14 A H3' H 1 4.68 0.03 . 1 1 . . A 14 ADE H3' . 18549 1 225 . 1 1 14 14 A H4' H 1 4.43 0.03 . 1 1 . . A 14 ADE H4' . 18549 1 226 . 1 1 14 14 A H5' H 1 4.22 0.03 . 1 1 . . A 14 ADE H5' . 18549 1 227 . 1 1 14 14 A H5'' H 1 4.13 0.03 . 1 1 . . A 14 ADE H5'' . 18549 1 228 . 1 1 14 14 A H8 H 1 7.96 0.03 . 1 1 . . A 14 ADE H8 . 18549 1 229 . 1 1 14 14 A N1 N 15 226.00 0.06 . 1 1 . . A 14 ADE N1 . 18549 1 230 . 1 1 14 14 A N3 N 15 217.10 0.06 . 1 1 . . A 14 ADE N3 . 18549 1 231 . 1 1 14 14 A N7 N 15 232.34 0.06 . 1 1 . . A 14 ADE N7 . 18549 1 232 . 1 1 14 14 A N9 N 15 169.26 0.06 . 1 1 . . A 14 ADE N9 . 18549 1 233 . 1 1 15 15 A C1' C 13 89.77 0.03 . 1 1 . . A 15 ADE C1' . 18549 1 234 . 1 1 15 15 A C2 C 13 154.68 0.03 . 1 1 . . A 15 ADE C2 . 18549 1 235 . 1 1 15 15 A C2' C 13 75.29 0.03 . 1 1 . . A 15 ADE C2' . 18549 1 236 . 1 1 15 15 A C3' C 13 75.38 0.03 . 1 1 . . A 15 ADE C3' . 18549 1 237 . 1 1 15 15 A C4' C 13 81.36 0.03 . 1 1 . . A 15 ADE C4' . 18549 1 238 . 1 1 15 15 A C5' C 13 66.36 0.03 . 1 1 . . A 15 ADE C5' . 18549 1 239 . 1 1 15 15 A C8 C 13 140.65 0.03 . 1 1 . . A 15 ADE C8 . 18549 1 240 . 1 1 15 15 A H1' H 1 5.58 0.03 . 1 1 . . A 15 ADE H1' . 18549 1 241 . 1 1 15 15 A H2 H 1 7.78 0.03 . 1 1 . . A 15 ADE H2 . 18549 1 242 . 1 1 15 15 A H2' H 1 4.53 0.03 . 1 1 . . A 15 ADE H2' . 18549 1 243 . 1 1 15 15 A H3' H 1 4.65 0.03 . 1 1 . . A 15 ADE H3' . 18549 1 244 . 1 1 15 15 A H4' H 1 4.40 0.03 . 1 1 . . A 15 ADE H4' . 18549 1 245 . 1 1 15 15 A H5' H 1 4.27 0.03 . 1 1 . . A 15 ADE H5' . 18549 1 246 . 1 1 15 15 A H5'' H 1 4.14 0.03 . 1 1 . . A 15 ADE H5'' . 18549 1 247 . 1 1 15 15 A H8 H 1 7.90 0.03 . 1 1 . . A 15 ADE H8 . 18549 1 248 . 1 1 15 15 A N1 N 15 225.91 0.06 . 1 1 . . A 15 ADE N1 . 18549 1 249 . 1 1 15 15 A N3 N 15 217.12 0.06 . 1 1 . . A 15 ADE N3 . 18549 1 250 . 1 1 15 15 A N7 N 15 232.80 0.06 . 1 1 . . A 15 ADE N7 . 18549 1 251 . 1 1 15 15 A N9 N 15 169.39 0.06 . 1 1 . . A 15 ADE N9 . 18549 1 252 . 1 1 16 16 A C1' C 13 92.00 0.03 . 1 1 . . A 16 ADE C1' . 18549 1 253 . 1 1 16 16 A C2 C 13 154.75 0.03 . 1 1 . . A 16 ADE C2 . 18549 1 254 . 1 1 16 16 A C2' C 13 76.45 0.03 . 1 1 . . A 16 ADE C2' . 18549 1 255 . 1 1 16 16 A C3' C 13 68.94 0.03 . 1 1 . . A 16 ADE C3' . 18549 1 256 . 1 1 16 16 A C4' C 13 82.70 0.03 . 1 1 . . A 16 ADE C4' . 18549 1 257 . 1 1 16 16 A C5' C 13 64.39 0.03 . 1 1 . . A 16 ADE C5' . 18549 1 258 . 1 1 16 16 A C8 C 13 140.89 0.03 . 1 1 . . A 16 ADE C8 . 18549 1 259 . 1 1 16 16 A H1' H 1 5.63 0.03 . 1 1 . . A 16 ADE H1' . 18549 1 260 . 1 1 16 16 A H2 H 1 7.96 0.03 . 1 1 . . A 16 ADE H2 . 18549 1 261 . 1 1 16 16 A H2' H 1 3.88 0.03 . 1 1 . . A 16 ADE H2' . 18549 1 262 . 1 1 16 16 A H3' H 1 4.09 0.03 . 1 1 . . A 16 ADE H3' . 18549 1 263 . 1 1 16 16 A H4' H 1 4.09 0.03 . 1 1 . . A 16 ADE H4' . 18549 1 264 . 1 1 16 16 A H5' H 1 4.33 0.03 . 1 1 . . A 16 ADE H5' . 18549 1 265 . 1 1 16 16 A H5'' H 1 3.97 0.03 . 1 1 . . A 16 ADE H5'' . 18549 1 266 . 1 1 16 16 A H8 H 1 8.01 0.03 . 1 1 . . A 16 ADE H8 . 18549 1 267 . 1 1 16 16 A N1 N 15 224.43 0.06 . 1 1 . . A 16 ADE N1 . 18549 1 268 . 1 1 16 16 A N3 N 15 216.89 0.06 . 1 1 . . A 16 ADE N3 . 18549 1 269 . 1 1 16 16 A N7 N 15 233.12 0.06 . 1 1 . . A 16 ADE N7 . 18549 1 270 . 1 1 16 16 A N9 N 15 169.67 0.06 . 1 1 . . A 16 ADE N9 . 18549 1 271 . 1 1 17 17 A C1' C 13 91.57 0.03 . 1 1 . . A 17 ADE C1' . 18549 1 272 . 1 1 17 17 A C2 C 13 153.80 0.03 . 1 1 . . A 17 ADE C2 . 18549 1 273 . 1 1 17 17 A C2' C 13 74.31 0.03 . 1 1 . . A 17 ADE C2' . 18549 1 274 . 1 1 17 17 A C3' C 13 72.70 0.03 . 1 1 . . A 17 ADE C3' . 18549 1 275 . 1 1 17 17 A C4' C 13 82.62 0.03 . 1 1 . . A 17 ADE C4' . 18549 1 276 . 1 1 17 17 A C5' C 13 65.50 0.03 . 1 1 . . A 17 ADE C5' . 18549 1 277 . 1 1 17 17 A C8 C 13 140.36 0.03 . 1 1 . . A 17 ADE C8 . 18549 1 278 . 1 1 17 17 A H1' H 1 5.61 0.03 . 1 1 . . A 17 ADE H1' . 18549 1 279 . 1 1 17 17 A H2 H 1 7.71 0.03 . 1 1 . . A 17 ADE H2 . 18549 1 280 . 1 1 17 17 A H2' H 1 4.54 0.03 . 1 1 . . A 17 ADE H2' . 18549 1 281 . 1 1 17 17 A H3' H 1 4.53 0.03 . 1 1 . . A 17 ADE H3' . 18549 1 282 . 1 1 17 17 A H4' H 1 4.40 0.03 . 1 1 . . A 17 ADE H4' . 18549 1 283 . 1 1 17 17 A H5' H 1 4.40 0.03 . 1 1 . . A 17 ADE H5' . 18549 1 284 . 1 1 17 17 A H5'' H 1 4.20 0.03 . 1 1 . . A 17 ADE H5'' . 18549 1 285 . 1 1 17 17 A H8 H 1 8.11 0.03 . 1 1 . . A 17 ADE H8 . 18549 1 286 . 1 1 17 17 A N1 N 15 224.26 0.06 . 1 1 . . A 17 ADE N1 . 18549 1 287 . 1 1 17 17 A N3 N 15 215.06 0.06 . 1 1 . . A 17 ADE N3 . 18549 1 288 . 1 1 17 17 A N7 N 15 231.40 0.06 . 1 1 . . A 17 ADE N7 . 18549 1 289 . 1 1 17 17 A N9 N 15 169.43 0.06 . 1 1 . . A 17 ADE N9 . 18549 1 290 . 1 1 18 18 U C1' C 13 92.84 0.03 . 1 1 . . A 18 URI C1' . 18549 1 291 . 1 1 18 18 U C2 C 13 152.43 0.03 . 1 1 . . A 18 URI C2 . 18549 1 292 . 1 1 18 18 U C2' C 13 74.40 0.03 . 1 1 . . A 18 URI C2' . 18549 1 293 . 1 1 18 18 U C3' C 13 71.54 0.03 . 1 1 . . A 18 URI C3' . 18549 1 294 . 1 1 18 18 U C4 C 13 169.13 0.03 . 1 1 . . A 18 URI C4 . 18549 1 295 . 1 1 18 18 U C4' C 13 81.36 0.03 . 1 1 . . A 18 URI C4' . 18549 1 296 . 1 1 18 18 U C5 C 13 103.02 0.03 . 1 1 . . A 18 URI C5 . 18549 1 297 . 1 1 18 18 U C5' C 13 64.12 0.03 . 1 1 . . A 18 URI C5' . 18549 1 298 . 1 1 18 18 U C6 C 13 141.67 0.03 . 1 1 . . A 18 URI C6 . 18549 1 299 . 1 1 18 18 U H1' H 1 5.44 0.03 . 1 1 . . A 18 URI H1' . 18549 1 300 . 1 1 18 18 U H2' H 1 4.30 0.03 . 1 1 . . A 18 URI H2' . 18549 1 301 . 1 1 18 18 U H3' H 1 4.36 0.03 . 1 1 . . A 18 URI H3' . 18549 1 302 . 1 1 18 18 U H4' H 1 4.40 0.03 . 1 1 . . A 18 URI H4' . 18549 1 303 . 1 1 18 18 U H5 H 1 5.06 0.03 . 1 1 . . A 18 URI H5 . 18549 1 304 . 1 1 18 18 U H5' H 1 4.45 0.03 . 1 1 . . A 18 URI H5' . 18549 1 305 . 1 1 18 18 U H5'' H 1 4.09 0.03 . 1 1 . . A 18 URI H5'' . 18549 1 306 . 1 1 18 18 U H6 H 1 7.57 0.03 . 1 1 . . A 18 URI H6 . 18549 1 307 . 1 1 19 19 U C1' C 13 92.57 0.03 . 1 1 . . A 19 URI C1' . 18549 1 308 . 1 1 19 19 U C2 C 13 152.71 0.03 . 1 1 . . A 19 URI C2 . 18549 1 309 . 1 1 19 19 U C2' C 13 74.49 0.03 . 1 1 . . A 19 URI C2' . 18549 1 310 . 1 1 19 19 U C3' C 13 71.72 0.03 . 1 1 . . A 19 URI C3' . 18549 1 311 . 1 1 19 19 U C4 C 13 168.49 0.03 . 1 1 . . A 19 URI C4 . 18549 1 312 . 1 1 19 19 U C4' C 13 81.28 0.03 . 1 1 . . A 19 URI C4' . 18549 1 313 . 1 1 19 19 U C5 C 13 103.84 0.03 . 1 1 . . A 19 URI C5 . 18549 1 314 . 1 1 19 19 U C5' C 13 64.03 0.03 . 1 1 . . A 19 URI C5' . 18549 1 315 . 1 1 19 19 U C6 C 13 142.08 0.03 . 1 1 . . A 19 URI C6 . 18549 1 316 . 1 1 19 19 U H1' H 1 5.59 0.03 . 1 1 . . A 19 URI H1' . 18549 1 317 . 1 1 19 19 U H2' H 1 4.45 0.03 . 1 1 . . A 19 URI H2' . 18549 1 318 . 1 1 19 19 U H3' H 1 4.58 0.03 . 1 1 . . A 19 URI H3' . 18549 1 319 . 1 1 19 19 U H4' H 1 4.41 0.03 . 1 1 . . A 19 URI H4' . 18549 1 320 . 1 1 19 19 U H5 H 1 5.55 0.03 . 1 1 . . A 19 URI H5 . 18549 1 321 . 1 1 19 19 U H5' H 1 4.49 0.03 . 1 1 . . A 19 URI H5' . 18549 1 322 . 1 1 19 19 U H5'' H 1 4.09 0.03 . 1 1 . . A 19 URI H5'' . 18549 1 323 . 1 1 19 19 U H6 H 1 7.92 0.03 . 1 1 . . A 19 URI H6 . 18549 1 324 . 1 1 20 20 A C1' C 13 91.96 0.03 . 1 1 . . A 20 ADE C1' . 18549 1 325 . 1 1 20 20 A C2 C 13 152.53 0.03 . 1 1 . . A 20 ADE C2 . 18549 1 326 . 1 1 20 20 A C2' C 13 74.66 0.03 . 1 1 . . A 20 ADE C2' . 18549 1 327 . 1 1 20 20 A C3' C 13 72.25 0.03 . 1 1 . . A 20 ADE C3' . 18549 1 328 . 1 1 20 20 A C4' C 13 81.36 0.03 . 1 1 . . A 20 ADE C4' . 18549 1 329 . 1 1 20 20 A C5' C 13 65.19 0.03 . 1 1 . . A 20 ADE C5' . 18549 1 330 . 1 1 20 20 A C8 C 13 139.83 0.03 . 1 1 . . A 20 ADE C8 . 18549 1 331 . 1 1 20 20 A H1' H 1 5.92 0.03 . 1 1 . . A 20 ADE H1' . 18549 1 332 . 1 1 20 20 A H2 H 1 6.67 0.03 . 1 1 . . A 20 ADE H2 . 18549 1 333 . 1 1 20 20 A H2' H 1 4.68 0.03 . 1 1 . . A 20 ADE H2' . 18549 1 334 . 1 1 20 20 A H3' H 1 4.57 0.03 . 1 1 . . A 20 ADE H3' . 18549 1 335 . 1 1 20 20 A H4' H 1 4.52 0.03 . 1 1 . . A 20 ADE H4' . 18549 1 336 . 1 1 20 20 A H5' H 1 4.49 0.03 . 1 1 . . A 20 ADE H5' . 18549 1 337 . 1 1 20 20 A H5'' H 1 4.22 0.03 . 1 1 . . A 20 ADE H5'' . 18549 1 338 . 1 1 20 20 A H8 H 1 8.12 0.03 . 1 1 . . A 20 ADE H8 . 18549 1 339 . 1 1 20 20 A N1 N 15 221.88 0.06 . 1 1 . . A 20 ADE N1 . 18549 1 340 . 1 1 20 20 A N3 N 15 212.68 0.06 . 1 1 . . A 20 ADE N3 . 18549 1 341 . 1 1 20 20 A N7 N 15 231.70 0.06 . 1 1 . . A 20 ADE N7 . 18549 1 342 . 1 1 20 20 A N9 N 15 171.56 0.06 . 1 1 . . A 20 ADE N9 . 18549 1 343 . 1 1 21 21 G C1' C 13 91.69 0.03 . 1 1 . . A 21 GUA C1' . 18549 1 344 . 1 1 21 21 G C2' C 13 74.40 0.03 . 1 1 . . A 21 GUA C2' . 18549 1 345 . 1 1 21 21 G C3' C 13 71.98 0.03 . 1 1 . . A 21 GUA C3' . 18549 1 346 . 1 1 21 21 G C4' C 13 81.10 0.03 . 1 1 . . A 21 GUA C4' . 18549 1 347 . 1 1 21 21 G C5' C 13 64.75 0.03 . 1 1 . . A 21 GUA C5' . 18549 1 348 . 1 1 21 21 G C8 C 13 135.99 0.03 . 1 1 . . A 21 GUA C8 . 18549 1 349 . 1 1 21 21 G H1' H 1 5.56 0.03 . 1 1 . . A 21 GUA H1' . 18549 1 350 . 1 1 21 21 G H2' H 1 4.33 0.03 . 1 1 . . A 21 GUA H2' . 18549 1 351 . 1 1 21 21 G H3' H 1 4.40 0.03 . 1 1 . . A 21 GUA H3' . 18549 1 352 . 1 1 21 21 G H4' H 1 4.39 0.03 . 1 1 . . A 21 GUA H4' . 18549 1 353 . 1 1 21 21 G H5' H 1 4.43 0.03 . 1 1 . . A 21 GUA H5' . 18549 1 354 . 1 1 21 21 G H5'' H 1 4.05 0.03 . 1 1 . . A 21 GUA H5'' . 18549 1 355 . 1 1 21 21 G H8 H 1 7.29 0.03 . 1 1 . . A 21 GUA H8 . 18549 1 356 . 1 1 21 21 G N7 N 15 235.03 0.06 . 1 1 . . A 21 GUA N7 . 18549 1 357 . 1 1 21 21 G N9 N 15 170.17 0.06 . 1 1 . . A 21 GUA N9 . 18549 1 358 . 1 1 22 22 C C1' C 13 92.99 0.03 . 1 1 . . A 22 CYT C1' . 18549 1 359 . 1 1 22 22 C C2 C 13 158.81 0.03 . 1 1 . . A 22 CYT C2 . 18549 1 360 . 1 1 22 22 C C2' C 13 74.58 0.03 . 1 1 . . A 22 CYT C2' . 18549 1 361 . 1 1 22 22 C C3' C 13 71.27 0.03 . 1 1 . . A 22 CYT C3' . 18549 1 362 . 1 1 22 22 C C4 C 13 168.08 0.03 . 1 1 . . A 22 CYT C4 . 18549 1 363 . 1 1 22 22 C C4' C 13 81.01 0.03 . 1 1 . . A 22 CYT C4' . 18549 1 364 . 1 1 22 22 C C5 C 13 97.19 0.03 . 1 1 . . A 22 CYT C5 . 18549 1 365 . 1 1 22 22 C C5' C 13 63.68 0.03 . 1 1 . . A 22 CYT C5' . 18549 1 366 . 1 1 22 22 C C6 C 13 140.94 0.03 . 1 1 . . A 22 CYT C6 . 18549 1 367 . 1 1 22 22 C H1' H 1 5.46 0.03 . 1 1 . . A 22 CYT H1' . 18549 1 368 . 1 1 22 22 C H2' H 1 4.28 0.03 . 1 1 . . A 22 CYT H2' . 18549 1 369 . 1 1 22 22 C H3' H 1 4.36 0.03 . 1 1 . . A 22 CYT H3' . 18549 1 370 . 1 1 22 22 C H4' H 1 4.35 0.03 . 1 1 . . A 22 CYT H4' . 18549 1 371 . 1 1 22 22 C H5 H 1 5.14 0.03 . 1 1 . . A 22 CYT H5 . 18549 1 372 . 1 1 22 22 C H5' H 1 4.47 0.03 . 1 1 . . A 22 CYT H5' . 18549 1 373 . 1 1 22 22 C H5'' H 1 4.00 0.03 . 1 1 . . A 22 CYT H5'' . 18549 1 374 . 1 1 22 22 C H6 H 1 7.60 0.03 . 1 1 . . A 22 CYT H6 . 18549 1 375 . 1 1 23 23 C C1' C 13 93.55 0.03 . 1 1 . . A 23 CYT C1' . 18549 1 376 . 1 1 23 23 C C2 C 13 158.97 0.03 . 1 1 . . A 23 CYT C2 . 18549 1 377 . 1 1 23 23 C C2' C 13 74.67 0.03 . 1 1 . . A 23 CYT C2' . 18549 1 378 . 1 1 23 23 C C3' C 13 71.18 0.03 . 1 1 . . A 23 CYT C3' . 18549 1 379 . 1 1 23 23 C C4 C 13 168.52 0.03 . 1 1 . . A 23 CYT C4 . 18549 1 380 . 1 1 23 23 C C4' C 13 81.10 0.03 . 1 1 . . A 23 CYT C4' . 18549 1 381 . 1 1 23 23 C C5 C 13 97.87 0.03 . 1 1 . . A 23 CYT C5 . 18549 1 382 . 1 1 23 23 C C5' C 13 63.76 0.03 . 1 1 . . A 23 CYT C5' . 18549 1 383 . 1 1 23 23 C C6 C 13 141.45 0.03 . 1 1 . . A 23 CYT C6 . 18549 1 384 . 1 1 23 23 C H1' H 1 5.51 0.03 . 1 1 . . A 23 CYT H1' . 18549 1 385 . 1 1 23 23 C H2' H 1 4.24 0.03 . 1 1 . . A 23 CYT H2' . 18549 1 386 . 1 1 23 23 C H3' H 1 4.44 0.03 . 1 1 . . A 23 CYT H3' . 18549 1 387 . 1 1 23 23 C H4' H 1 4.34 0.03 . 1 1 . . A 23 CYT H4' . 18549 1 388 . 1 1 23 23 C H5 H 1 5.47 0.03 . 1 1 . . A 23 CYT H5 . 18549 1 389 . 1 1 23 23 C H5' H 1 4.49 0.03 . 1 1 . . A 23 CYT H5' . 18549 1 390 . 1 1 23 23 C H5'' H 1 3.99 0.03 . 1 1 . . A 23 CYT H5'' . 18549 1 391 . 1 1 23 23 C H6 H 1 7.77 0.03 . 1 1 . . A 23 CYT H6 . 18549 1 392 . 1 1 24 24 C C1' C 13 92.00 0.03 . 1 1 . . A 24 CYT C1' . 18549 1 393 . 1 1 24 24 C C2 C 13 159.89 0.03 . 1 1 . . A 24 CYT C2 . 18549 1 394 . 1 1 24 24 C C2' C 13 76.72 0.03 . 1 1 . . A 24 CYT C2' . 18549 1 395 . 1 1 24 24 C C3' C 13 68.86 0.03 . 1 1 . . A 24 CYT C3' . 18549 1 396 . 1 1 24 24 C C4 C 13 168.79 0.03 . 1 1 . . A 24 CYT C4 . 18549 1 397 . 1 1 24 24 C C4' C 13 82.62 0.03 . 1 1 . . A 24 CYT C4' . 18549 1 398 . 1 1 24 24 C C5 C 13 98.30 0.03 . 1 1 . . A 24 CYT C5 . 18549 1 399 . 1 1 24 24 C C5' C 13 64.39 0.03 . 1 1 . . A 24 CYT C5' . 18549 1 400 . 1 1 24 24 C C6 C 13 141.89 0.03 . 1 1 . . A 24 CYT C6 . 18549 1 401 . 1 1 24 24 C H1' H 1 5.74 0.03 . 1 1 . . A 24 CYT H1' . 18549 1 402 . 1 1 24 24 C H2' H 1 3.98 0.03 . 1 1 . . A 24 CYT H2' . 18549 1 403 . 1 1 24 24 C H3' H 1 4.15 0.03 . 1 1 . . A 24 CYT H3' . 18549 1 404 . 1 1 24 24 C H4' H 1 4.14 0.03 . 1 1 . . A 24 CYT H4' . 18549 1 405 . 1 1 24 24 C H5 H 1 5.51 0.03 . 1 1 . . A 24 CYT H5 . 18549 1 406 . 1 1 24 24 C H5' H 1 4.44 0.03 . 1 1 . . A 24 CYT H5' . 18549 1 407 . 1 1 24 24 C H5'' H 1 4.04 0.03 . 1 1 . . A 24 CYT H5'' . 18549 1 408 . 1 1 24 24 C H6 H 1 7.69 0.03 . 1 1 . . A 24 CYT H6 . 18549 1 stop_ save_