data_18503 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18503 _Entry.Title ; NMR solution structure of the kappa-zeta region of S.cerevisiae group II intron ai5(gamma) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-05 _Entry.Accession_date 2012-06-05 _Entry.Last_release_date . _Entry.Original_release_date . _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 Daniela Donghi . . . 18503 2 Maria Pechlaner . . . 18503 3 Cinzia Finazzo . . . 18503 4 Bernd Knobloch . . . 18503 5 Roland Sigel . K.O. . 18503 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' . 18503 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Magnesium . 18503 'Metal ion' . 18503 RNA . 18503 'Three-way junction' . 18503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 18503 '15N chemical shifts' 95 18503 '1H chemical shifts' 550 18503 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-20 2012-06-05 update BMRB 'update entry citation' 18503 1 . . 2013-02-14 2012-06-05 original author 'original release' 18503 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LU0 'BMRB Entry Tracking System' 18503 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18503 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23275550 _Citation.Full_citation . _Citation.Title 'The structural stabilization of the three-way junction by Mg(II) represents the first step in the folding of a group II intron.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 41 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2489 _Citation.Page_last 2504 _Citation.Year 2013 _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 Daniela Donghi . . . 18503 1 2 Maria Pechlaner . . . 18503 1 3 Cinzia Finazzo . . . 18503 1 4 Bernd Knobloch . . . 18503 1 5 Roland Sigel . K.O. . 18503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18503 _Assembly.ID 1 _Assembly.Name 'RNA (49-MER)' _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 (49-MER)' 1 $RNA_(49-MER) A . yes native no no . . . 18503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(49-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(49-MER) _Entity.Entry_ID 18503 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(49-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAAUAUGCUCAACGAAAGU GAAUCAGCUUCGGCUGAGAG CUAAGUUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This construct represents residues 195-218 and 374-386 of group II intron ai5(gamma); residues 1,2,48 and 49 as well as residues 27-34 are additions that are not present in the intron. ; _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 49 _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 15800.554 _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 . G . 18503 1 2 . G . 18503 1 3 . A . 18503 1 4 . A . 18503 1 5 . U . 18503 1 6 . A . 18503 1 7 . U . 18503 1 8 . G . 18503 1 9 . C . 18503 1 10 . U . 18503 1 11 . C . 18503 1 12 . A . 18503 1 13 . A . 18503 1 14 . C . 18503 1 15 . G . 18503 1 16 . A . 18503 1 17 . A . 18503 1 18 . A . 18503 1 19 . G . 18503 1 20 . U . 18503 1 21 . G . 18503 1 22 . A . 18503 1 23 . A . 18503 1 24 . U . 18503 1 25 . C . 18503 1 26 . A . 18503 1 27 . G . 18503 1 28 . C . 18503 1 29 . U . 18503 1 30 . U . 18503 1 31 . C . 18503 1 32 . G . 18503 1 33 . G . 18503 1 34 . C . 18503 1 35 . U . 18503 1 36 . G . 18503 1 37 . A . 18503 1 38 . G . 18503 1 39 . A . 18503 1 40 . G . 18503 1 41 . C . 18503 1 42 . U . 18503 1 43 . A . 18503 1 44 . A . 18503 1 45 . G . 18503 1 46 . U . 18503 1 47 . U . 18503 1 48 . C . 18503 1 49 . C . 18503 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 18503 1 . G 2 2 18503 1 . A 3 3 18503 1 . A 4 4 18503 1 . U 5 5 18503 1 . A 6 6 18503 1 . U 7 7 18503 1 . G 8 8 18503 1 . C 9 9 18503 1 . U 10 10 18503 1 . C 11 11 18503 1 . A 12 12 18503 1 . A 13 13 18503 1 . C 14 14 18503 1 . G 15 15 18503 1 . A 16 16 18503 1 . A 17 17 18503 1 . A 18 18 18503 1 . G 19 19 18503 1 . U 20 20 18503 1 . G 21 21 18503 1 . A 22 22 18503 1 . A 23 23 18503 1 . U 24 24 18503 1 . C 25 25 18503 1 . A 26 26 18503 1 . G 27 27 18503 1 . C 28 28 18503 1 . U 29 29 18503 1 . U 30 30 18503 1 . C 31 31 18503 1 . G 32 32 18503 1 . G 33 33 18503 1 . C 34 34 18503 1 . U 35 35 18503 1 . G 36 36 18503 1 . A 37 37 18503 1 . G 38 38 18503 1 . A 39 39 18503 1 . G 40 40 18503 1 . C 41 41 18503 1 . U 42 42 18503 1 . A 43 43 18503 1 . A 44 44 18503 1 . G 45 45 18503 1 . U 46 46 18503 1 . U 47 47 18503 1 . C 48 48 18503 1 . C 49 49 18503 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 18503 _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_(49-MER) . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18503 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 18503 _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_(49-MER) . 'cell free synthesis' 'cell free synthesis (using T7 polymerase)' . . . . . . . . . . . . . . . . . . 'linear DNA template' . . . . . . 'sequence occurs naturally in S.cerevisiae and was synthesized in vitro using T7 polymerase and synthetic DNA oligonucleotides' . . 18503 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_D1kz_wt_d2o _Sample.Sf_category sample _Sample.Sf_framecode D1kz_wt_d2o _Sample.Entry_ID 18503 _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 (49-MER)' 'natural abundance' . . 1 $RNA_(49-MER) . . 0.3-1.0 . . mM . . . . 18503 1 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 18503 1 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18503 1 4 'magnesium chloride' 'natural abundance' . . . . . . 0-12 . . mM . . . . 18503 1 stop_ save_ save_D1kz_deut_d2o _Sample.Sf_category sample _Sample.Sf_framecode D1kz_deut_d2o _Sample.Entry_ID 18503 _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 (49-MER)' '[3',4',5',5 ,5-D5]' . . 1 $RNA_(49-MER) . . 0.3-1.0 . . mM . . . . 18503 2 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 18503 2 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18503 2 4 'magnesium chloride' 'natural abundance' . . . . . . 0-12 . . mM . . . . 18503 2 stop_ save_ save_D1kz_lab_d2o _Sample.Sf_category sample _Sample.Sf_framecode D1kz_lab_d2o _Sample.Entry_ID 18503 _Sample.ID 3 _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 (49-MER)' '[100% 13C; 100% 15N]' . . 1 $RNA_(49-MER) . . 0.3-1 . . mM . . . . 18503 3 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 18503 3 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18503 3 4 'magnesium chloride' 'natural abundance' . . . . . . 0-12 . . mM . . . . 18503 3 stop_ save_ save_D1kz_wt_h2o _Sample.Sf_category sample _Sample.Sf_framecode D1kz_wt_h2o _Sample.Entry_ID 18503 _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 (49-MER)' 'natural abundance' . . 1 $RNA_(49-MER) . . 0.3-1.0 . . mM . . . . 18503 4 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 18503 4 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18503 4 4 'magnesium chloride' 'natural abundance' . . . . . . 0-12 . . mM . . . . 18503 4 stop_ save_ save_D1kz_lab_h2o _Sample.Sf_category sample _Sample.Sf_framecode D1kz_lab_h2o _Sample.Entry_ID 18503 _Sample.ID 5 _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 (49-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(49-MER) . . 0.3-1.0 . . mM . . . . 18503 5 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 18503 5 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18503 5 4 'magnesium chloride' 'natural abundance' . . . . . . 0-12 . . mM . . . . 18503 5 stop_ save_ ####################### # Sample conditions # ####################### save_300K_d2o _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 300K_d2o _Sample_condition_list.Entry_ID 18503 _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' 60 . mM 18503 1 pD 6.7 0.2 pH 18503 1 pressure 1 . atm 18503 1 temperature 300 . K 18503 1 stop_ save_ save_275-285K_h2o _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 275-285K_h2o _Sample_condition_list.Entry_ID 18503 _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' 60 . mM 18503 2 pH 6.7 0.2 pH 18503 2 pressure 1 . atm 18503 2 temperature 280 5 K 18503 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18503 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18503 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18503 1 'structure solution' 18503 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18503 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18503 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18503 2 'data analysis' 18503 2 'peak integration' 18503 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18503 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18503 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18503 3 'structure solution' 18503 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18503 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18503 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18503 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18503 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18503 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18503 5 processing 18503 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV-700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV-700 _NMR_spectrometer.Entry_ID 18503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI z-axis pulsed field gradient CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_AV-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV-600 _NMR_spectrometer.Entry_ID 18503 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TCI z-gradient CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_AV-900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV-900 _NMR_spectrometer.Entry_ID 18503 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'TCI z-gradient CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18503 _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 AV-700 Bruker Avance . 700 'TXI z-axis pulsed field gradient CryoProbe' . . 18503 1 2 AV-600 Bruker Avance . 600 'TCI z-gradient CryoProbe' . . 18503 1 3 AV-900 Bruker Avance . 900 'TCI z-gradient CryoProbe' . . 18503 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 18503 _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-1H TOCSY' no . . . . . . . . . . 1 $D1kz_wt_d2o isotropic . . 1 $300K_d2o . . . . . . . . . . . . . . . . . . . . . 18503 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $D1kz_wt_d2o isotropic . . 1 $300K_d2o . . . . . . . . . . . . . . . . . . . . . 18503 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $D1kz_deut_d2o isotropic . . 1 $300K_d2o . . . . . . . . . . . . . . . . . . . . . 18503 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $D1kz_wt_h2o isotropic . . 2 $275-285K_h2o . . . . . . . . . . . . . . . . . . . . . 18503 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $D1kz_lab_h2o isotropic . . 2 $275-285K_h2o . . . . . . . . . . . . . . . . . . . . . 18503 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $D1kz_lab_d2o isotropic . . 1 $300K_d2o . . . . . . . . . . . . . . . . . . . . . 18503 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $D1kz_wt_d2o isotropic . . 1 $300K_d2o . . . . . . . . . . . . . . . . . . . . . 18503 1 8 '2D JNN HNN COSY' no . . . . . . . . . . 5 $D1kz_lab_h2o isotropic . . 2 $275-285K_h2o . . . . . . . . . . . . . . . . . . . . . 18503 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $D1kz_lab_d2o isotropic . . 1 $300K_d2o . . . . . . . . . . . . . . . . . . . . . 18503 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 18503 _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 . indirect 0.251449530 . . . . . . . . . 18503 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 18503 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18503 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_shifts_withoutMg _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shifts_withoutMg _Assigned_chem_shift_list.Entry_ID 18503 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $300K_d2o _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 18503 1 4 '2D 1H-1H NOESY' . . . 18503 1 5 '2D 1H-15N HSQC' . . . 18503 1 6 '2D 1H-13C HSQC' . . . 18503 1 9 '2D 1H-15N HSQC' . . . 18503 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 H1 H 1 12.774 0.005 . 1 . . . A 1 G H1 . 18503 1 2 . 1 1 1 1 G H1' H 1 5.811 0.005 . 1 . . . A 1 G H1' . 18503 1 3 . 1 1 1 1 G H2' H 1 4.923 0.005 . 1 . . . A 1 G H2' . 18503 1 4 . 1 1 1 1 G H3' H 1 4.701 0.005 . 1 . . . A 1 G H3' . 18503 1 5 . 1 1 1 1 G H4' H 1 4.512 0.005 . 1 . . . A 1 G H4' . 18503 1 6 . 1 1 1 1 G H5' H 1 4.307 0.005 . 1 . . . A 1 G H5' . 18503 1 7 . 1 1 1 1 G H5'' H 1 4.153 0.005 . 1 . . . A 1 G H5'' . 18503 1 8 . 1 1 1 1 G H8 H 1 8.104 0.005 . 1 . . . A 1 G H8 . 18503 1 9 . 1 1 1 1 G C1' C 13 91.725 0.05 . 1 . . . A 1 G C1' . 18503 1 10 . 1 1 1 1 G C2' C 13 75.167 0.05 . 1 . . . A 1 G C2' . 18503 1 11 . 1 1 1 1 G C3' C 13 74.186 0.05 . 1 . . . A 1 G C3' . 18503 1 12 . 1 1 1 1 G C4' C 13 83.482 0.05 . 1 . . . A 1 G C4' . 18503 1 13 . 1 1 1 1 G C5' C 13 65.483 0.05 . 1 . . . A 1 G C5' . 18503 1 14 . 1 1 1 1 G C8 C 13 138.952 0.05 . 1 . . . A 1 G C8 . 18503 1 15 . 1 1 1 1 G N1 N 15 147.285 0.05 . 1 . . . A 1 G N1 . 18503 1 16 . 1 1 1 1 G N7 N 15 232.651 0.05 . 1 . . . A 1 G N7 . 18503 1 17 . 1 1 2 2 G H1 H 1 12.368 0.005 . 1 . . . A 2 G H1 . 18503 1 18 . 1 1 2 2 G H1' H 1 5.882 0.005 . 1 . . . A 2 G H1' . 18503 1 19 . 1 1 2 2 G H2' H 1 4.678 0.005 . 1 . . . A 2 G H2' . 18503 1 20 . 1 1 2 2 G H3' H 1 4.607 0.005 . 1 . . . A 2 G H3' . 18503 1 21 . 1 1 2 2 G H4' H 1 4.532 0.005 . 1 . . . A 2 G H4' . 18503 1 22 . 1 1 2 2 G H5' H 1 4.503 0.005 . 1 . . . A 2 G H5' . 18503 1 23 . 1 1 2 2 G H5'' H 1 4.229 0.005 . 1 . . . A 2 G H5'' . 18503 1 24 . 1 1 2 2 G H8 H 1 7.490 0.005 . 1 . . . A 2 G H8 . 18503 1 25 . 1 1 2 2 G C1' C 13 92.785 0.05 . 1 . . . A 2 G C1' . 18503 1 26 . 1 1 2 2 G C2' C 13 75.401 0.05 . 1 . . . A 2 G C2' . 18503 1 27 . 1 1 2 2 G C3' C 13 72.890 0.05 . 1 . . . A 2 G C3' . 18503 1 28 . 1 1 2 2 G C4' C 13 82.205 0.05 . 1 . . . A 2 G C4' . 18503 1 29 . 1 1 2 2 G C5' C 13 65.637 0.05 . 1 . . . A 2 G C5' . 18503 1 30 . 1 1 2 2 G C8 C 13 136.716 0.05 . 1 . . . A 2 G C8 . 18503 1 31 . 1 1 2 2 G N1 N 15 146.922 0.05 . 1 . . . A 2 G N1 . 18503 1 32 . 1 1 2 2 G N7 N 15 234.250 0.05 . 1 . . . A 2 G N7 . 18503 1 33 . 1 1 3 3 A H1' H 1 5.929 0.005 . 1 . . . A 3 A H1' . 18503 1 34 . 1 1 3 3 A H2 H 1 7.220 0.005 . 1 . . . A 3 A H2 . 18503 1 35 . 1 1 3 3 A H2' H 1 4.665 0.005 . 1 . . . A 3 A H2' . 18503 1 36 . 1 1 3 3 A H3' H 1 4.635 0.005 . 1 . . . A 3 A H3' . 18503 1 37 . 1 1 3 3 A H5' H 1 4.608 0.005 . 1 . . . A 3 A H5' . 18503 1 38 . 1 1 3 3 A H5'' H 1 4.143 0.005 . 1 . . . A 3 A H5'' . 18503 1 39 . 1 1 3 3 A H8 H 1 7.724 0.005 . 1 . . . A 3 A H8 . 18503 1 40 . 1 1 3 3 A C1' C 13 92.900 0.05 . 1 . . . A 3 A C1' . 18503 1 41 . 1 1 3 3 A C2 C 13 153.032 0.05 . 1 . . . A 3 A C2 . 18503 1 42 . 1 1 3 3 A C2' C 13 75.550 0.05 . 1 . . . A 3 A C2' . 18503 1 43 . 1 1 3 3 A C3' C 13 72.933 0.05 . 1 . . . A 3 A C3' . 18503 1 44 . 1 1 3 3 A C5' C 13 65.304 0.05 . 1 . . . A 3 A C5' . 18503 1 45 . 1 1 3 3 A C8 C 13 139.361 0.05 . 1 . . . A 3 A C8 . 18503 1 46 . 1 1 3 3 A N1 N 15 221.180 0.05 . 1 . . . A 3 A N1 . 18503 1 47 . 1 1 3 3 A N3 N 15 212.757 0.05 . 1 . . . A 3 A N3 . 18503 1 48 . 1 1 3 3 A N7 N 15 230.310 0.05 . 1 . . . A 3 A N7 . 18503 1 49 . 1 1 4 4 A H1' H 1 5.839 0.005 . 1 . . . A 4 A H1' . 18503 1 50 . 1 1 4 4 A H2 H 1 7.828 0.005 . 1 . . . A 4 A H2 . 18503 1 51 . 1 1 4 4 A H2' H 1 4.505 0.005 . 1 . . . A 4 A H2' . 18503 1 52 . 1 1 4 4 A H3' H 1 4.380 0.005 . 1 . . . A 4 A H3' . 18503 1 53 . 1 1 4 4 A H4' H 1 4.483 0.005 . 1 . . . A 4 A H4' . 18503 1 54 . 1 1 4 4 A H5'' H 1 4.081 0.005 . 1 . . . A 4 A H5'' . 18503 1 55 . 1 1 4 4 A H8 H 1 7.543 0.005 . 1 . . . A 4 A H8 . 18503 1 56 . 1 1 4 4 A C1' C 13 92.892 0.05 . 1 . . . A 4 A C1' . 18503 1 57 . 1 1 4 4 A C2 C 13 153.945 0.05 . 1 . . . A 4 A C2 . 18503 1 58 . 1 1 4 4 A C2' C 13 75.317 0.05 . 1 . . . A 4 A C2' . 18503 1 59 . 1 1 4 4 A C3' C 13 72.795 0.05 . 1 . . . A 4 A C3' . 18503 1 60 . 1 1 4 4 A C8 C 13 138.938 0.05 . 1 . . . A 4 A C8 . 18503 1 61 . 1 1 4 4 A N1 N 15 222.507 0.05 . 1 . . . A 4 A N1 . 18503 1 62 . 1 1 4 4 A N3 N 15 213.716 0.05 . 1 . . . A 4 A N3 . 18503 1 63 . 1 1 4 4 A N7 N 15 231.502 0.05 . 1 . . . A 4 A N7 . 18503 1 64 . 1 1 5 5 U H1' H 1 5.364 0.005 . 1 . . . A 5 U H1' . 18503 1 65 . 1 1 5 5 U H2' H 1 4.238 0.005 . 1 . . . A 5 U H2' . 18503 1 66 . 1 1 5 5 U H3 H 1 11.569 0.005 . 1 . . . A 5 U H3 . 18503 1 67 . 1 1 5 5 U H3' H 1 4.475 0.005 . 1 . . . A 5 U H3' . 18503 1 68 . 1 1 5 5 U H4' H 1 4.362 0.005 . 1 . . . A 5 U H4' . 18503 1 69 . 1 1 5 5 U H5 H 1 5.190 0.005 . 1 . . . A 5 U H5 . 18503 1 70 . 1 1 5 5 U H5'' H 1 4.082 0.005 . 1 . . . A 5 U H5'' . 18503 1 71 . 1 1 5 5 U H6 H 1 7.394 0.005 . 1 . . . A 5 U H6 . 18503 1 72 . 1 1 5 5 U C1' C 13 92.886 0.05 . 1 . . . A 5 U C1' . 18503 1 73 . 1 1 5 5 U C2' C 13 75.679 0.05 . 1 . . . A 5 U C2' . 18503 1 74 . 1 1 5 5 U C3' C 13 73.329 0.05 . 1 . . . A 5 U C3' . 18503 1 75 . 1 1 5 5 U C4' C 13 82.745 0.05 . 1 . . . A 5 U C4' . 18503 1 76 . 1 1 5 5 U C5 C 13 104.091 0.05 . 1 . . . A 5 U C5 . 18503 1 77 . 1 1 5 5 U C6 C 13 140.318 0.05 . 1 . . . A 5 U C6 . 18503 1 78 . 1 1 5 5 U N3 N 15 157.477 0.05 . 1 . . . A 5 U N3 . 18503 1 79 . 1 1 6 6 A H1' H 1 5.864 0.005 . 1 . . . A 6 A H1' . 18503 1 80 . 1 1 6 6 A H2 H 1 7.401 0.005 . 1 . . . A 6 A H2 . 18503 1 81 . 1 1 6 6 A H2' H 1 4.581 0.005 . 1 . . . A 6 A H2' . 18503 1 82 . 1 1 6 6 A H3' H 1 4.766 0.005 . 1 . . . A 6 A H3' . 18503 1 83 . 1 1 6 6 A H4' H 1 4.543 0.005 . 1 . . . A 6 A H4' . 18503 1 84 . 1 1 6 6 A H5' H 1 4.369 0.005 . 1 . . . A 6 A H5' . 18503 1 85 . 1 1 6 6 A H5'' H 1 4.141 0.005 . 1 . . . A 6 A H5'' . 18503 1 86 . 1 1 6 6 A H8 H 1 8.112 0.005 . 1 . . . A 6 A H8 . 18503 1 87 . 1 1 6 6 A C1' C 13 90.106 0.05 . 1 . . . A 6 A C1' . 18503 1 88 . 1 1 6 6 A C2 C 13 154.603 0.05 . 1 . . . A 6 A C2 . 18503 1 89 . 1 1 6 6 A C2' C 13 75.327 0.05 . 1 . . . A 6 A C2' . 18503 1 90 . 1 1 6 6 A C4' C 13 84.749 0.05 . 1 . . . A 6 A C4' . 18503 1 91 . 1 1 6 6 A C8 C 13 141.158 0.05 . 1 . . . A 6 A C8 . 18503 1 92 . 1 1 6 6 A N1 N 15 224.575 0.05 . 1 . . . A 6 A N1 . 18503 1 93 . 1 1 6 6 A N3 N 15 215.853 0.05 . 1 . . . A 6 A N3 . 18503 1 94 . 1 1 6 6 A N7 N 15 232.608 0.05 . 1 . . . A 6 A N7 . 18503 1 95 . 1 1 7 7 U H1' H 1 5.563 0.005 . 1 . . . A 7 U H1' . 18503 1 96 . 1 1 7 7 U H2' H 1 4.514 0.005 . 1 . . . A 7 U H2' . 18503 1 97 . 1 1 7 7 U H5 H 1 5.617 0.005 . 1 . . . A 7 U H5 . 18503 1 98 . 1 1 7 7 U H5'' H 1 4.217 0.005 . 1 . . . A 7 U H5'' . 18503 1 99 . 1 1 7 7 U H6 H 1 7.780 0.005 . 1 . . . A 7 U H6 . 18503 1 100 . 1 1 7 7 U C1' C 13 92.536 0.05 . 1 . . . A 7 U C1' . 18503 1 101 . 1 1 7 7 U C2' C 13 75.365 0.05 . 1 . . . A 7 U C2' . 18503 1 102 . 1 1 7 7 U C5 C 13 104.659 0.05 . 1 . . . A 7 U C5 . 18503 1 103 . 1 1 7 7 U C6 C 13 142.871 0.05 . 1 . . . A 7 U C6 . 18503 1 104 . 1 1 8 8 G H1 H 1 13.123 0.005 . 1 . . . A 8 G H1 . 18503 1 105 . 1 1 8 8 G H1' H 1 5.382 0.005 . 1 . . . A 8 G H1' . 18503 1 106 . 1 1 8 8 G H2' H 1 4.496 0.005 . 1 . . . A 8 G H2' . 18503 1 107 . 1 1 8 8 G H3' H 1 4.420 0.005 . 1 . . . A 8 G H3' . 18503 1 108 . 1 1 8 8 G H5'' H 1 4.083 0.005 . 1 . . . A 8 G H5'' . 18503 1 109 . 1 1 8 8 G H8 H 1 7.622 0.005 . 1 . . . A 8 G H8 . 18503 1 110 . 1 1 8 8 G C1' C 13 92.133 0.05 . 1 . . . A 8 G C1' . 18503 1 111 . 1 1 8 8 G C2' C 13 75.402 0.05 . 1 . . . A 8 G C2' . 18503 1 112 . 1 1 8 8 G C8 C 13 136.979 0.05 . 1 . . . A 8 G C8 . 18503 1 113 . 1 1 8 8 G N1 N 15 148.412 0.05 . 1 . . . A 8 G N1 . 18503 1 114 . 1 1 8 8 G N7 N 15 233.575 0.05 . 1 . . . A 8 G N7 . 18503 1 115 . 1 1 9 9 C H1' H 1 5.483 0.005 . 1 . . . A 9 C H1' . 18503 1 116 . 1 1 9 9 C H2' H 1 4.419 0.005 . 1 . . . A 9 C H2' . 18503 1 117 . 1 1 9 9 C H3' H 1 4.369 0.005 . 1 . . . A 9 C H3' . 18503 1 118 . 1 1 9 9 C H5 H 1 5.266 0.005 . 1 . . . A 9 C H5 . 18503 1 119 . 1 1 9 9 C H5'' H 1 4.084 0.005 . 1 . . . A 9 C H5'' . 18503 1 120 . 1 1 9 9 C H6 H 1 7.587 0.005 . 1 . . . A 9 C H6 . 18503 1 121 . 1 1 9 9 C H41 H 1 8.627 0.005 . 1 . . . A 9 C H41 . 18503 1 122 . 1 1 9 9 C H42 H 1 6.912 0.005 . 1 . . . A 9 C H42 . 18503 1 123 . 1 1 9 9 C C1' C 13 94.235 0.05 . 1 . . . A 9 C C1' . 18503 1 124 . 1 1 9 9 C C3' C 13 72.355 0.05 . 1 . . . A 9 C C3' . 18503 1 125 . 1 1 9 9 C C5 C 13 97.210 0.05 . 1 . . . A 9 C C5 . 18503 1 126 . 1 1 9 9 C C6 C 13 141.342 0.05 . 1 . . . A 9 C C6 . 18503 1 127 . 1 1 10 10 U H1' H 1 5.562 0.005 . 1 . . . A 10 U H1' . 18503 1 128 . 1 1 10 10 U H2' H 1 4.435 0.005 . 1 . . . A 10 U H2' . 18503 1 129 . 1 1 10 10 U H3 H 1 14.326 0.005 . 1 . . . A 10 U H3 . 18503 1 130 . 1 1 10 10 U H3' H 1 4.479 0.005 . 1 . . . A 10 U H3' . 18503 1 131 . 1 1 10 10 U H5 H 1 5.383 0.005 . 1 . . . A 10 U H5 . 18503 1 132 . 1 1 10 10 U H6 H 1 7.890 0.005 . 1 . . . A 10 U H6 . 18503 1 133 . 1 1 10 10 U C1' C 13 94.017 0.05 . 1 . . . A 10 U C1' . 18503 1 134 . 1 1 10 10 U C3' C 13 73.203 0.05 . 1 . . . A 10 U C3' . 18503 1 135 . 1 1 10 10 U C5 C 13 103.153 0.05 . 1 . . . A 10 U C5 . 18503 1 136 . 1 1 10 10 U C6 C 13 141.977 0.05 . 1 . . . A 10 U C6 . 18503 1 137 . 1 1 11 11 C H1' H 1 5.760 0.005 . 1 . . . A 11 C H1' . 18503 1 138 . 1 1 11 11 C H2' H 1 4.320 0.005 . 1 . . . A 11 C H2' . 18503 1 139 . 1 1 11 11 C H5 H 1 5.646 0.005 . 1 . . . A 11 C H5 . 18503 1 140 . 1 1 11 11 C H6 H 1 7.772 0.005 . 1 . . . A 11 C H6 . 18503 1 141 . 1 1 11 11 C C1' C 13 92.590 0.05 . 1 . . . A 11 C C1' . 18503 1 142 . 1 1 11 11 C C5 C 13 98.103 0.05 . 1 . . . A 11 C C5 . 18503 1 143 . 1 1 11 11 C C6 C 13 141.965 0.05 . 1 . . . A 11 C C6 . 18503 1 144 . 1 1 12 12 A H1' H 1 5.872 0.005 . 1 . . . A 12 A H1' . 18503 1 145 . 1 1 12 12 A H2 H 1 7.967 0.005 . 1 . . . A 12 A H2 . 18503 1 146 . 1 1 12 12 A H2' H 1 4.565 0.005 . 1 . . . A 12 A H2' . 18503 1 147 . 1 1 12 12 A H8 H 1 7.819 0.005 . 1 . . . A 12 A H8 . 18503 1 148 . 1 1 12 12 A C1' C 13 91.460 0.05 . 1 . . . A 12 A C1' . 18503 1 149 . 1 1 12 12 A C2 C 13 155.029 0.05 . 1 . . . A 12 A C2 . 18503 1 150 . 1 1 12 12 A N1 N 15 223.987 0.05 . 1 . . . A 12 A N1 . 18503 1 151 . 1 1 12 12 A N3 N 15 216.531 0.05 . 1 . . . A 12 A N3 . 18503 1 152 . 1 1 13 13 A H1' H 1 5.409 0.005 . 1 . . . A 13 A H1' . 18503 1 153 . 1 1 13 13 A H2 H 1 7.808 0.005 . 1 . . . A 13 A H2 . 18503 1 154 . 1 1 13 13 A H2' H 1 4.408 0.005 . 1 . . . A 13 A H2' . 18503 1 155 . 1 1 13 13 A H3' H 1 4.502 0.005 . 1 . . . A 13 A H3' . 18503 1 156 . 1 1 13 13 A H8 H 1 7.932 0.005 . 1 . . . A 13 A H8 . 18503 1 157 . 1 1 13 13 A C2 C 13 154.603 0.05 . 1 . . . A 13 A C2 . 18503 1 158 . 1 1 13 13 A C2' C 13 75.398 0.05 . 1 . . . A 13 A C2' . 18503 1 159 . 1 1 13 13 A C3' C 13 73.273 0.05 . 1 . . . A 13 A C3' . 18503 1 160 . 1 1 13 13 A C8 C 13 139.874 0.05 . 1 . . . A 13 A C8 . 18503 1 161 . 1 1 13 13 A N1 N 15 223.606 0.05 . 1 . . . A 13 A N1 . 18503 1 162 . 1 1 13 13 A N3 N 15 214.034 0.05 . 1 . . . A 13 A N3 . 18503 1 163 . 1 1 14 14 C H1' H 1 5.451 0.005 . 1 . . . A 14 C H1' . 18503 1 164 . 1 1 14 14 C H2' H 1 4.295 0.005 . 1 . . . A 14 C H2' . 18503 1 165 . 1 1 14 14 C H3' H 1 4.280 0.005 . 1 . . . A 14 C H3' . 18503 1 166 . 1 1 14 14 C H4' H 1 4.329 0.005 . 1 . . . A 14 C H4' . 18503 1 167 . 1 1 14 14 C H5 H 1 5.079 0.005 . 1 . . . A 14 C H5 . 18503 1 168 . 1 1 14 14 C H5' H 1 4.401 0.005 . 1 . . . A 14 C H5' . 18503 1 169 . 1 1 14 14 C H5'' H 1 4.044 0.005 . 1 . . . A 14 C H5'' . 18503 1 170 . 1 1 14 14 C H6 H 1 7.209 0.005 . 1 . . . A 14 C H6 . 18503 1 171 . 1 1 14 14 C H41 H 1 8.096 0.005 . 1 . . . A 14 C H41 . 18503 1 172 . 1 1 14 14 C H42 H 1 6.752 0.005 . 1 . . . A 14 C H42 . 18503 1 173 . 1 1 14 14 C C1' C 13 93.734 0.05 . 1 . . . A 14 C C1' . 18503 1 174 . 1 1 14 14 C C2' C 13 75.727 0.05 . 1 . . . A 14 C C2' . 18503 1 175 . 1 1 14 14 C C3' C 13 72.624 0.05 . 1 . . . A 14 C C3' . 18503 1 176 . 1 1 14 14 C C4' C 13 82.031 0.05 . 1 . . . A 14 C C4' . 18503 1 177 . 1 1 14 14 C C5 C 13 97.512 0.05 . 1 . . . A 14 C C5 . 18503 1 178 . 1 1 14 14 C C6 C 13 140.190 0.05 . 1 . . . A 14 C C6 . 18503 1 179 . 1 1 15 15 G H1 H 1 10.550 0.005 . 1 . . . A 15 G H1 . 18503 1 180 . 1 1 15 15 G H1' H 1 5.629 0.005 . 1 . . . A 15 G H1' . 18503 1 181 . 1 1 15 15 G H2' H 1 4.478 0.005 . 1 . . . A 15 G H2' . 18503 1 182 . 1 1 15 15 G H3' H 1 4.658 0.005 . 1 . . . A 15 G H3' . 18503 1 183 . 1 1 15 15 G H4' H 1 4.436 0.005 . 1 . . . A 15 G H4' . 18503 1 184 . 1 1 15 15 G H5'' H 1 4.080 0.005 . 1 . . . A 15 G H5'' . 18503 1 185 . 1 1 15 15 G H8 H 1 7.589 0.005 . 1 . . . A 15 G H8 . 18503 1 186 . 1 1 15 15 G C1' C 13 92.386 0.05 . 1 . . . A 15 G C1' . 18503 1 187 . 1 1 15 15 G C2' C 13 75.351 0.05 . 1 . . . A 15 G C2' . 18503 1 188 . 1 1 15 15 G C4' C 13 81.843 0.05 . 1 . . . A 15 G C4' . 18503 1 189 . 1 1 15 15 G C8 C 13 137.001 0.05 . 1 . . . A 15 G C8 . 18503 1 190 . 1 1 15 15 G N1 N 15 146.103 0.05 . 1 . . . A 15 G N1 . 18503 1 191 . 1 1 15 15 G N7 N 15 237.013 0.05 . 1 . . . A 15 G N7 . 18503 1 192 . 1 1 16 16 A H1' H 1 5.727 0.005 . 1 . . . A 16 A H1' . 18503 1 193 . 1 1 16 16 A H2 H 1 7.849 0.005 . 1 . . . A 16 A H2 . 18503 1 194 . 1 1 16 16 A H2' H 1 4.727 0.005 . 1 . . . A 16 A H2' . 18503 1 195 . 1 1 16 16 A H3' H 1 4.514 0.005 . 1 . . . A 16 A H3' . 18503 1 196 . 1 1 16 16 A H4' H 1 4.235 0.005 . 1 . . . A 16 A H4' . 18503 1 197 . 1 1 16 16 A H5' H 1 3.979 0.005 . 1 . . . A 16 A H5' . 18503 1 198 . 1 1 16 16 A H5'' H 1 4.176 0.005 . 1 . . . A 16 A H5'' . 18503 1 199 . 1 1 16 16 A H8 H 1 8.307 0.005 . 1 . . . A 16 A H8 . 18503 1 200 . 1 1 16 16 A C1' C 13 91.220 0.05 . 1 . . . A 16 A C1' . 18503 1 201 . 1 1 16 16 A C2 C 13 154.520 0.05 . 1 . . . A 16 A C2 . 18503 1 202 . 1 1 16 16 A C2' C 13 75.974 0.05 . 1 . . . A 16 A C2' . 18503 1 203 . 1 1 16 16 A C3' C 13 74.559 0.05 . 1 . . . A 16 A C3' . 18503 1 204 . 1 1 16 16 A C4' C 13 83.896 0.05 . 1 . . . A 16 A C4' . 18503 1 205 . 1 1 16 16 A C5' C 13 65.538 0.05 . 1 . . . A 16 A C5' . 18503 1 206 . 1 1 16 16 A C8 C 13 142.121 0.05 . 1 . . . A 16 A C8 . 18503 1 207 . 1 1 16 16 A N1 N 15 224.780 0.05 . 1 . . . A 16 A N1 . 18503 1 208 . 1 1 16 16 A N3 N 15 216.212 0.05 . 1 . . . A 16 A N3 . 18503 1 209 . 1 1 16 16 A N7 N 15 230.254 0.05 . 1 . . . A 16 A N7 . 18503 1 210 . 1 1 17 17 A H1' H 1 5.499 0.005 . 1 . . . A 17 A H1' . 18503 1 211 . 1 1 17 17 A H2 H 1 7.841 0.005 . 1 . . . A 17 A H2 . 18503 1 212 . 1 1 17 17 A H2' H 1 4.470 0.005 . 1 . . . A 17 A H2' . 18503 1 213 . 1 1 17 17 A H3' H 1 4.601 0.005 . 1 . . . A 17 A H3' . 18503 1 214 . 1 1 17 17 A H4' H 1 4.303 0.005 . 1 . . . A 17 A H4' . 18503 1 215 . 1 1 17 17 A H5'' H 1 3.966 0.005 . 1 . . . A 17 A H5'' . 18503 1 216 . 1 1 17 17 A H8 H 1 7.974 0.005 . 1 . . . A 17 A H8 . 18503 1 217 . 1 1 17 17 A C1' C 13 91.616 0.05 . 1 . . . A 17 A C1' . 18503 1 218 . 1 1 17 17 A C2 C 13 154.534 0.05 . 1 . . . A 17 A C2 . 18503 1 219 . 1 1 17 17 A C2' C 13 75.813 0.05 . 1 . . . A 17 A C2' . 18503 1 220 . 1 1 17 17 A C4' C 13 83.728 0.05 . 1 . . . A 17 A C4' . 18503 1 221 . 1 1 17 17 A C5' C 13 65.213 0.05 . 1 . . . A 17 A C5' . 18503 1 222 . 1 1 17 17 A C8 C 13 140.739 0.05 . 1 . . . A 17 A C8 . 18503 1 223 . 1 1 17 17 A N1 N 15 225.633 0.05 . 1 . . . A 17 A N1 . 18503 1 224 . 1 1 17 17 A N3 N 15 215.754 0.05 . 1 . . . A 17 A N3 . 18503 1 225 . 1 1 17 17 A N7 N 15 228.718 0.05 . 1 . . . A 17 A N7 . 18503 1 226 . 1 1 18 18 A H1' H 1 5.952 0.005 . 1 . . . A 18 A H1' . 18503 1 227 . 1 1 18 18 A H2 H 1 8.057 0.005 . 1 . . . A 18 A H2 . 18503 1 228 . 1 1 18 18 A H2' H 1 4.646 0.005 . 1 . . . A 18 A H2' . 18503 1 229 . 1 1 18 18 A H3' H 1 5.002 0.005 . 1 . . . A 18 A H3' . 18503 1 230 . 1 1 18 18 A H4' H 1 4.426 0.005 . 1 . . . A 18 A H4' . 18503 1 231 . 1 1 18 18 A H5' H 1 4.600 0.005 . 1 . . . A 18 A H5' . 18503 1 232 . 1 1 18 18 A H5'' H 1 4.296 0.005 . 1 . . . A 18 A H5'' . 18503 1 233 . 1 1 18 18 A H8 H 1 8.174 0.005 . 1 . . . A 18 A H8 . 18503 1 234 . 1 1 18 18 A C1' C 13 91.744 0.05 . 1 . . . A 18 A C1' . 18503 1 235 . 1 1 18 18 A C2 C 13 155.207 0.05 . 1 . . . A 18 A C2 . 18503 1 236 . 1 1 18 18 A C2' C 13 76.509 0.05 . 1 . . . A 18 A C2' . 18503 1 237 . 1 1 18 18 A C3' C 13 74.655 0.05 . 1 . . . A 18 A C3' . 18503 1 238 . 1 1 18 18 A C4' C 13 82.929 0.05 . 1 . . . A 18 A C4' . 18503 1 239 . 1 1 18 18 A C8 C 13 141.246 0.05 . 1 . . . A 18 A C8 . 18503 1 240 . 1 1 18 18 A N1 N 15 226.038 0.05 . 1 . . . A 18 A N1 . 18503 1 241 . 1 1 18 18 A N3 N 15 217.276 0.05 . 1 . . . A 18 A N3 . 18503 1 242 . 1 1 18 18 A N7 N 15 230.994 0.05 . 1 . . . A 18 A N7 . 18503 1 243 . 1 1 19 19 G H1 H 1 12.901 0.005 . 1 . . . A 19 G H1 . 18503 1 244 . 1 1 19 19 G H2' H 1 4.241 0.005 . 1 . . . A 19 G H2' . 18503 1 245 . 1 1 19 19 G H3' H 1 4.428 0.005 . 1 . . . A 19 G H3' . 18503 1 246 . 1 1 19 19 G H4' H 1 4.259 0.005 . 1 . . . A 19 G H4' . 18503 1 247 . 1 1 19 19 G H5' H 1 4.276 0.005 . 1 . . . A 19 G H5' . 18503 1 248 . 1 1 19 19 G H5'' H 1 4.261 0.005 . 1 . . . A 19 G H5'' . 18503 1 249 . 1 1 19 19 G H8 H 1 7.747 0.005 . 1 . . . A 19 G H8 . 18503 1 250 . 1 1 19 19 G C4' C 13 83.044 0.05 . 1 . . . A 19 G C4' . 18503 1 251 . 1 1 19 19 G C5' C 13 68.704 0.05 . 1 . . . A 19 G C5' . 18503 1 252 . 1 1 19 19 G C8 C 13 137.616 0.05 . 1 . . . A 19 G C8 . 18503 1 253 . 1 1 19 19 G N7 N 15 234.762 0.05 . 1 . . . A 19 G N7 . 18503 1 254 . 1 1 20 20 U H1' H 1 5.645 0.005 . 1 . . . A 20 U H1' . 18503 1 255 . 1 1 20 20 U H2' H 1 4.375 0.005 . 1 . . . A 20 U H2' . 18503 1 256 . 1 1 20 20 U H3' H 1 4.321 0.005 . 1 . . . A 20 U H3' . 18503 1 257 . 1 1 20 20 U H5 H 1 5.090 0.005 . 1 . . . A 20 U H5 . 18503 1 258 . 1 1 20 20 U H6 H 1 7.442 0.005 . 1 . . . A 20 U H6 . 18503 1 259 . 1 1 20 20 U C1' C 13 92.530 0.05 . 1 . . . A 20 U C1' . 18503 1 260 . 1 1 20 20 U C2' C 13 75.780 0.05 . 1 . . . A 20 U C2' . 18503 1 261 . 1 1 20 20 U C3' C 13 74.901 0.05 . 1 . . . A 20 U C3' . 18503 1 262 . 1 1 20 20 U C5 C 13 103.718 0.05 . 1 . . . A 20 U C5 . 18503 1 263 . 1 1 20 20 U C6 C 13 141.223 0.05 . 1 . . . A 20 U C6 . 18503 1 264 . 1 1 21 21 G H1' H 1 5.555 0.005 . 1 . . . A 21 G H1' . 18503 1 265 . 1 1 21 21 G H2' H 1 4.541 0.005 . 1 . . . A 21 G H2' . 18503 1 266 . 1 1 21 21 G H8 H 1 7.688 0.005 . 1 . . . A 21 G H8 . 18503 1 267 . 1 1 21 21 G C1' C 13 92.137 0.05 . 1 . . . A 21 G C1' . 18503 1 268 . 1 1 21 21 G C2' C 13 75.851 0.05 . 1 . . . A 21 G C2' . 18503 1 269 . 1 1 21 21 G C8 C 13 137.589 0.05 . 1 . . . A 21 G C8 . 18503 1 270 . 1 1 21 21 G N7 N 15 237.178 0.05 . 1 . . . A 21 G N7 . 18503 1 271 . 1 1 22 22 A H1' H 1 5.703 0.005 . 1 . . . A 22 A H1' . 18503 1 272 . 1 1 22 22 A H2 H 1 7.764 0.005 . 1 . . . A 22 A H2 . 18503 1 273 . 1 1 22 22 A H2' H 1 4.552 0.005 . 1 . . . A 22 A H2' . 18503 1 274 . 1 1 22 22 A H8 H 1 7.974 0.005 . 1 . . . A 22 A H8 . 18503 1 275 . 1 1 22 22 A C1' C 13 92.397 0.05 . 1 . . . A 22 A C1' . 18503 1 276 . 1 1 22 22 A C2 C 13 154.617 0.05 . 1 . . . A 22 A C2 . 18503 1 277 . 1 1 22 22 A C8 C 13 140.848 0.05 . 1 . . . A 22 A C8 . 18503 1 278 . 1 1 22 22 A N1 N 15 223.906 0.05 . 1 . . . A 22 A N1 . 18503 1 279 . 1 1 22 22 A N3 N 15 215.788 0.05 . 1 . . . A 22 A N3 . 18503 1 280 . 1 1 22 22 A N7 N 15 230.194 0.05 . 1 . . . A 22 A N7 . 18503 1 281 . 1 1 23 23 A H1' H 1 5.825 0.005 . 1 . . . A 23 A H1' . 18503 1 282 . 1 1 23 23 A H2 H 1 7.921 0.005 . 1 . . . A 23 A H2 . 18503 1 283 . 1 1 23 23 A H2' H 1 4.559 0.005 . 1 . . . A 23 A H2' . 18503 1 284 . 1 1 23 23 A H8 H 1 7.954 0.005 . 1 . . . A 23 A H8 . 18503 1 285 . 1 1 23 23 A C1' C 13 91.754 0.05 . 1 . . . A 23 A C1' . 18503 1 286 . 1 1 23 23 A C2 C 13 154.673 0.05 . 1 . . . A 23 A C2 . 18503 1 287 . 1 1 23 23 A C8 C 13 140.436 0.05 . 1 . . . A 23 A C8 . 18503 1 288 . 1 1 23 23 A N1 N 15 225.590 0.05 . 1 . . . A 23 A N1 . 18503 1 289 . 1 1 24 24 U H1' H 1 5.540 0.005 . 1 . . . A 24 U H1' . 18503 1 290 . 1 1 24 24 U H2' H 1 4.489 0.005 . 1 . . . A 24 U H2' . 18503 1 291 . 1 1 24 24 U H3 H 1 13.344 0.005 . 1 . . . A 24 U H3 . 18503 1 292 . 1 1 24 24 U H5 H 1 5.571 0.005 . 1 . . . A 24 U H5 . 18503 1 293 . 1 1 24 24 U H5'' H 1 4.215 0.005 . 1 . . . A 24 U H5'' . 18503 1 294 . 1 1 24 24 U H6 H 1 7.792 0.005 . 1 . . . A 24 U H6 . 18503 1 295 . 1 1 24 24 U C1' C 13 93.913 0.05 . 1 . . . A 24 U C1' . 18503 1 296 . 1 1 24 24 U C5 C 13 104.309 0.05 . 1 . . . A 24 U C5 . 18503 1 297 . 1 1 25 25 C H1' H 1 5.618 0.005 . 1 . . . A 25 C H1' . 18503 1 298 . 1 1 25 25 C H2' H 1 4.527 0.005 . 1 . . . A 25 C H2' . 18503 1 299 . 1 1 25 25 C H3' H 1 4.580 0.005 . 1 . . . A 25 C H3' . 18503 1 300 . 1 1 25 25 C H4' H 1 4.524 0.005 . 1 . . . A 25 C H4' . 18503 1 301 . 1 1 25 25 C H5 H 1 5.743 0.005 . 1 . . . A 25 C H5 . 18503 1 302 . 1 1 25 25 C H5'' H 1 4.213 0.005 . 1 . . . A 25 C H5'' . 18503 1 303 . 1 1 25 25 C H6 H 1 7.907 0.005 . 1 . . . A 25 C H6 . 18503 1 304 . 1 1 25 25 C H41 H 1 8.319 0.005 . 1 . . . A 25 C H41 . 18503 1 305 . 1 1 25 25 C H42 H 1 7.002 0.005 . 1 . . . A 25 C H42 . 18503 1 306 . 1 1 25 25 C C1' C 13 93.886 0.05 . 1 . . . A 25 C C1' . 18503 1 307 . 1 1 25 25 C C3' C 13 72.866 0.05 . 1 . . . A 25 C C3' . 18503 1 308 . 1 1 25 25 C C4' C 13 83.160 0.05 . 1 . . . A 25 C C4' . 18503 1 309 . 1 1 25 25 C C5 C 13 98.039 0.05 . 1 . . . A 25 C C5 . 18503 1 310 . 1 1 25 25 C C6 C 13 141.850 0.05 . 1 . . . A 25 C C6 . 18503 1 311 . 1 1 26 26 A H1' H 1 5.897 0.005 . 1 . . . A 26 A H1' . 18503 1 312 . 1 1 26 26 A H2 H 1 6.954 0.005 . 1 . . . A 26 A H2 . 18503 1 313 . 1 1 26 26 A H2' H 1 4.621 0.005 . 1 . . . A 26 A H2' . 18503 1 314 . 1 1 26 26 A H3' H 1 4.749 0.005 . 1 . . . A 26 A H3' . 18503 1 315 . 1 1 26 26 A H4' H 1 4.525 0.005 . 1 . . . A 26 A H4' . 18503 1 316 . 1 1 26 26 A H5'' H 1 4.196 0.005 . 1 . . . A 26 A H5'' . 18503 1 317 . 1 1 26 26 A H8 H 1 8.068 0.005 . 1 . . . A 26 A H8 . 18503 1 318 . 1 1 26 26 A C1' C 13 92.639 0.05 . 1 . . . A 26 A C1' . 18503 1 319 . 1 1 26 26 A C2 C 13 152.505 0.05 . 1 . . . A 26 A C2 . 18503 1 320 . 1 1 26 26 A C2' C 13 75.355 0.05 . 1 . . . A 26 A C2' . 18503 1 321 . 1 1 26 26 A C3' C 13 73.031 0.05 . 1 . . . A 26 A C3' . 18503 1 322 . 1 1 26 26 A C8 C 13 139.614 0.05 . 1 . . . A 26 A C8 . 18503 1 323 . 1 1 26 26 A N1 N 15 220.310 0.05 . 1 . . . A 26 A N1 . 18503 1 324 . 1 1 26 26 A N3 N 15 213.086 0.05 . 1 . . . A 26 A N3 . 18503 1 325 . 1 1 26 26 A N7 N 15 230.613 0.05 . 1 . . . A 26 A N7 . 18503 1 326 . 1 1 27 27 G H1 H 1 13.445 0.005 . 1 . . . A 27 G H1 . 18503 1 327 . 1 1 27 27 G H1' H 1 5.658 0.005 . 1 . . . A 27 G H1' . 18503 1 328 . 1 1 27 27 G H2' H 1 4.427 0.005 . 1 . . . A 27 G H2' . 18503 1 329 . 1 1 27 27 G H3' H 1 4.453 0.005 . 1 . . . A 27 G H3' . 18503 1 330 . 1 1 27 27 G H4' H 1 4.487 0.005 . 1 . . . A 27 G H4' . 18503 1 331 . 1 1 27 27 G H5' H 1 4.521 0.005 . 1 . . . A 27 G H5' . 18503 1 332 . 1 1 27 27 G H5'' H 1 4.081 0.005 . 1 . . . A 27 G H5'' . 18503 1 333 . 1 1 27 27 G H8 H 1 7.315 0.005 . 1 . . . A 27 G H8 . 18503 1 334 . 1 1 27 27 G C1' C 13 92.417 0.05 . 1 . . . A 27 G C1' . 18503 1 335 . 1 1 27 27 G C2' C 13 75.350 0.05 . 1 . . . A 27 G C2' . 18503 1 336 . 1 1 27 27 G C3' C 13 72.588 0.05 . 1 . . . A 27 G C3' . 18503 1 337 . 1 1 27 27 G C4' C 13 82.006 0.05 . 1 . . . A 27 G C4' . 18503 1 338 . 1 1 27 27 G C5' C 13 65.442 0.05 . 1 . . . A 27 G C5' . 18503 1 339 . 1 1 27 27 G C8 C 13 135.719 0.05 . 1 . . . A 27 G C8 . 18503 1 340 . 1 1 27 27 G N1 N 15 148.331 0.05 . 1 . . . A 27 G N1 . 18503 1 341 . 1 1 27 27 G N7 N 15 234.413 0.05 . 1 . . . A 27 G N7 . 18503 1 342 . 1 1 28 28 C H1' H 1 5.481 0.005 . 1 . . . A 28 C H1' . 18503 1 343 . 1 1 28 28 C H2' H 1 4.461 0.005 . 1 . . . A 28 C H2' . 18503 1 344 . 1 1 28 28 C H3' H 1 4.229 0.005 . 1 . . . A 28 C H3' . 18503 1 345 . 1 1 28 28 C H4' H 1 4.401 0.005 . 1 . . . A 28 C H4' . 18503 1 346 . 1 1 28 28 C H5 H 1 5.143 0.005 . 1 . . . A 28 C H5 . 18503 1 347 . 1 1 28 28 C H5'' H 1 4.038 0.005 . 1 . . . A 28 C H5'' . 18503 1 348 . 1 1 28 28 C H6 H 1 7.397 0.005 . 1 . . . A 28 C H6 . 18503 1 349 . 1 1 28 28 C H41 H 1 8.569 0.005 . 1 . . . A 28 C H41 . 18503 1 350 . 1 1 28 28 C H42 H 1 6.994 0.005 . 1 . . . A 28 C H42 . 18503 1 351 . 1 1 28 28 C C1' C 13 93.859 0.05 . 1 . . . A 28 C C1' . 18503 1 352 . 1 1 28 28 C C2' C 13 75.420 0.05 . 1 . . . A 28 C C2' . 18503 1 353 . 1 1 28 28 C C3' C 13 71.902 0.05 . 1 . . . A 28 C C3' . 18503 1 354 . 1 1 28 28 C C4' C 13 81.636 0.05 . 1 . . . A 28 C C4' . 18503 1 355 . 1 1 28 28 C C5 C 13 97.257 0.05 . 1 . . . A 28 C C5 . 18503 1 356 . 1 1 28 28 C C5' C 13 64.674 0.05 . 1 . . . A 28 C C5' . 18503 1 357 . 1 1 28 28 C C6 C 13 140.325 0.05 . 1 . . . A 28 C C6 . 18503 1 358 . 1 1 29 29 U H1' H 1 5.675 0.005 . 1 . . . A 29 U H1' . 18503 1 359 . 1 1 29 29 U H2' H 1 3.793 0.005 . 1 . . . A 29 U H2' . 18503 1 360 . 1 1 29 29 U H3 H 1 11.790 0.005 . 1 . . . A 29 U H3 . 18503 1 361 . 1 1 29 29 U H3' H 1 4.526 0.005 . 1 . . . A 29 U H3' . 18503 1 362 . 1 1 29 29 U H4' H 1 4.368 0.005 . 1 . . . A 29 U H4' . 18503 1 363 . 1 1 29 29 U H5 H 1 5.714 0.005 . 1 . . . A 29 U H5 . 18503 1 364 . 1 1 29 29 U H5' H 1 4.502 0.005 . 1 . . . A 29 U H5' . 18503 1 365 . 1 1 29 29 U H5'' H 1 4.082 0.005 . 1 . . . A 29 U H5'' . 18503 1 366 . 1 1 29 29 U H6 H 1 7.759 0.005 . 1 . . . A 29 U H6 . 18503 1 367 . 1 1 29 29 U C1' C 13 94.431 0.05 . 1 . . . A 29 U C1' . 18503 1 368 . 1 1 29 29 U C2' C 13 75.933 0.05 . 1 . . . A 29 U C2' . 18503 1 369 . 1 1 29 29 U C3' C 13 73.261 0.05 . 1 . . . A 29 U C3' . 18503 1 370 . 1 1 29 29 U C4' C 13 82.170 0.05 . 1 . . . A 29 U C4' . 18503 1 371 . 1 1 29 29 U C5 C 13 105.058 0.05 . 1 . . . A 29 U C5 . 18503 1 372 . 1 1 29 29 U C5' C 13 64.066 0.05 . 1 . . . A 29 U C5' . 18503 1 373 . 1 1 29 29 U C6 C 13 140.664 0.05 . 1 . . . A 29 U C6 . 18503 1 374 . 1 1 29 29 U N3 N 15 159.994 0.05 . 1 . . . A 29 U N3 . 18503 1 375 . 1 1 30 30 U H1' H 1 6.106 0.005 . 1 . . . A 30 U H1' . 18503 1 376 . 1 1 30 30 U H2' H 1 4.677 0.005 . 1 . . . A 30 U H2' . 18503 1 377 . 1 1 30 30 U H3' H 1 4.026 0.005 . 1 . . . A 30 U H3' . 18503 1 378 . 1 1 30 30 U H4' H 1 4.484 0.005 . 1 . . . A 30 U H4' . 18503 1 379 . 1 1 30 30 U H5 H 1 5.861 0.005 . 1 . . . A 30 U H5 . 18503 1 380 . 1 1 30 30 U H5' H 1 4.240 0.005 . 1 . . . A 30 U H5' . 18503 1 381 . 1 1 30 30 U H5'' H 1 4.028 0.005 . 1 . . . A 30 U H5'' . 18503 1 382 . 1 1 30 30 U H6 H 1 8.031 0.005 . 1 . . . A 30 U H6 . 18503 1 383 . 1 1 30 30 U C1' C 13 89.189 0.05 . 1 . . . A 30 U C1' . 18503 1 384 . 1 1 30 30 U C2' C 13 74.583 0.05 . 1 . . . A 30 U C2' . 18503 1 385 . 1 1 30 30 U C3' C 13 77.731 0.05 . 1 . . . A 30 U C3' . 18503 1 386 . 1 1 30 30 U C4' C 13 86.957 0.05 . 1 . . . A 30 U C4' . 18503 1 387 . 1 1 30 30 U C5 C 13 105.484 0.05 . 1 . . . A 30 U C5 . 18503 1 388 . 1 1 30 30 U C5' C 13 67.749 0.05 . 1 . . . A 30 U C5' . 18503 1 389 . 1 1 30 30 U C6 C 13 144.684 0.05 . 1 . . . A 30 U C6 . 18503 1 390 . 1 1 31 31 C H1' H 1 5.961 0.005 . 1 . . . A 31 C H1' . 18503 1 391 . 1 1 31 31 C H2' H 1 4.101 0.005 . 1 . . . A 31 C H2' . 18503 1 392 . 1 1 31 31 C H3' H 1 4.485 0.005 . 1 . . . A 31 C H3' . 18503 1 393 . 1 1 31 31 C H4' H 1 3.797 0.005 . 1 . . . A 31 C H4' . 18503 1 394 . 1 1 31 31 C H5 H 1 6.130 0.005 . 1 . . . A 31 C H5 . 18503 1 395 . 1 1 31 31 C H5' H 1 2.714 0.005 . 1 . . . A 31 C H5' . 18503 1 396 . 1 1 31 31 C H5'' H 1 3.609 0.005 . 1 . . . A 31 C H5'' . 18503 1 397 . 1 1 31 31 C H6 H 1 7.699 0.005 . 1 . . . A 31 C H6 . 18503 1 398 . 1 1 31 31 C H41 H 1 6.369 0.005 . 1 . . . A 31 C H41 . 18503 1 399 . 1 1 31 31 C H42 H 1 7.151 0.005 . 1 . . . A 31 C H42 . 18503 1 400 . 1 1 31 31 C C1' C 13 89.068 0.05 . 1 . . . A 31 C C1' . 18503 1 401 . 1 1 31 31 C C2' C 13 77.589 0.05 . 1 . . . A 31 C C2' . 18503 1 402 . 1 1 31 31 C C3' C 13 80.363 0.05 . 1 . . . A 31 C C3' . 18503 1 403 . 1 1 31 31 C C4' C 13 84.467 0.05 . 1 . . . A 31 C C4' . 18503 1 404 . 1 1 31 31 C C5 C 13 98.532 0.05 . 1 . . . A 31 C C5 . 18503 1 405 . 1 1 31 31 C C5' C 13 67.354 0.05 . 1 . . . A 31 C C5' . 18503 1 406 . 1 1 31 31 C C6 C 13 142.817 0.05 . 1 . . . A 31 C C6 . 18503 1 407 . 1 1 32 32 G H1 H 1 9.919 0.005 . 1 . . . A 32 G H1 . 18503 1 408 . 1 1 32 32 G H1' H 1 5.966 0.005 . 1 . . . A 32 G H1' . 18503 1 409 . 1 1 32 32 G H2' H 1 4.836 0.005 . 1 . . . A 32 G H2' . 18503 1 410 . 1 1 32 32 G H3' H 1 5.634 0.005 . 1 . . . A 32 G H3' . 18503 1 411 . 1 1 32 32 G H4' H 1 4.409 0.005 . 1 . . . A 32 G H4' . 18503 1 412 . 1 1 32 32 G H5' H 1 4.192 0.005 . 1 . . . A 32 G H5' . 18503 1 413 . 1 1 32 32 G H5'' H 1 4.414 0.005 . 1 . . . A 32 G H5'' . 18503 1 414 . 1 1 32 32 G H8 H 1 7.864 0.005 . 1 . . . A 32 G H8 . 18503 1 415 . 1 1 32 32 G H21 H 1 6.677 0.005 . 1 . . . A 32 G H21 . 18503 1 416 . 1 1 32 32 G C1' C 13 94.540 0.05 . 1 . . . A 32 G C1' . 18503 1 417 . 1 1 32 32 G C2' C 13 77.320 0.05 . 1 . . . A 32 G C2' . 18503 1 418 . 1 1 32 32 G C3' C 13 75.894 0.05 . 1 . . . A 32 G C3' . 18503 1 419 . 1 1 32 32 G C4' C 13 83.155 0.05 . 1 . . . A 32 G C4' . 18503 1 420 . 1 1 32 32 G C5' C 13 69.009 0.05 . 1 . . . A 32 G C5' . 18503 1 421 . 1 1 32 32 G C8 C 13 142.945 0.05 . 1 . . . A 32 G C8 . 18503 1 422 . 1 1 32 32 G N1 N 15 143.280 0.05 . 1 . . . A 32 G N1 . 18503 1 423 . 1 1 32 32 G N7 N 15 231.955 0.05 . 1 . . . A 32 G N7 . 18503 1 424 . 1 1 33 33 G H1 H 1 13.485 0.005 . 1 . . . A 33 G H1 . 18503 1 425 . 1 1 33 33 G H1' H 1 4.442 0.005 . 1 . . . A 33 G H1' . 18503 1 426 . 1 1 33 33 G H2' H 1 4.473 0.005 . 1 . . . A 33 G H2' . 18503 1 427 . 1 1 33 33 G H3' H 1 4.246 0.005 . 1 . . . A 33 G H3' . 18503 1 428 . 1 1 33 33 G H4' H 1 4.392 0.005 . 1 . . . A 33 G H4' . 18503 1 429 . 1 1 33 33 G H5' H 1 4.491 0.005 . 1 . . . A 33 G H5' . 18503 1 430 . 1 1 33 33 G H5'' H 1 4.277 0.005 . 1 . . . A 33 G H5'' . 18503 1 431 . 1 1 33 33 G H8 H 1 8.311 0.005 . 1 . . . A 33 G H8 . 18503 1 432 . 1 1 33 33 G H21 H 1 8.894 0.005 . 1 . . . A 33 G H21 . 18503 1 433 . 1 1 33 33 G H22 H 1 6.479 0.005 . 1 . . . A 33 G H22 . 18503 1 434 . 1 1 33 33 G C1' C 13 93.181 0.05 . 1 . . . A 33 G C1' . 18503 1 435 . 1 1 33 33 G C2' C 13 75.602 0.05 . 1 . . . A 33 G C2' . 18503 1 436 . 1 1 33 33 G C3' C 13 74.397 0.05 . 1 . . . A 33 G C3' . 18503 1 437 . 1 1 33 33 G C4' C 13 83.064 0.05 . 1 . . . A 33 G C4' . 18503 1 438 . 1 1 33 33 G C5' C 13 69.790 0.05 . 1 . . . A 33 G C5' . 18503 1 439 . 1 1 33 33 G C8 C 13 138.847 0.05 . 1 . . . A 33 G C8 . 18503 1 440 . 1 1 33 33 G N1 N 15 148.317 0.05 . 1 . . . A 33 G N1 . 18503 1 441 . 1 1 33 33 G N7 N 15 233.444 0.05 . 1 . . . A 33 G N7 . 18503 1 442 . 1 1 34 34 C H1' H 1 5.520 0.005 . 1 . . . A 34 C H1' . 18503 1 443 . 1 1 34 34 C H2' H 1 4.464 0.005 . 1 . . . A 34 C H2' . 18503 1 444 . 1 1 34 34 C H3' H 1 4.417 0.005 . 1 . . . A 34 C H3' . 18503 1 445 . 1 1 34 34 C H5 H 1 5.276 0.005 . 1 . . . A 34 C H5 . 18503 1 446 . 1 1 34 34 C H5'' H 1 4.020 0.005 . 1 . . . A 34 C H5'' . 18503 1 447 . 1 1 34 34 C H6 H 1 7.664 0.005 . 1 . . . A 34 C H6 . 18503 1 448 . 1 1 34 34 C H41 H 1 8.741 0.005 . 1 . . . A 34 C H41 . 18503 1 449 . 1 1 34 34 C H42 H 1 6.934 0.005 . 1 . . . A 34 C H42 . 18503 1 450 . 1 1 34 34 C C1' C 13 93.999 0.05 . 1 . . . A 34 C C1' . 18503 1 451 . 1 1 34 34 C C2' C 13 75.197 0.05 . 1 . . . A 34 C C2' . 18503 1 452 . 1 1 34 34 C C3' C 13 71.960 0.05 . 1 . . . A 34 C C3' . 18503 1 453 . 1 1 34 34 C C5 C 13 96.925 0.05 . 1 . . . A 34 C C5 . 18503 1 454 . 1 1 34 34 C C6 C 13 141.322 0.05 . 1 . . . A 34 C C6 . 18503 1 455 . 1 1 35 35 U H1' H 1 5.550 0.005 . 1 . . . A 35 U H1' . 18503 1 456 . 1 1 35 35 U H2' H 1 4.623 0.005 . 1 . . . A 35 U H2' . 18503 1 457 . 1 1 35 35 U H3 H 1 13.525 0.005 . 1 . . . A 35 U H3 . 18503 1 458 . 1 1 35 35 U H3' H 1 4.555 0.005 . 1 . . . A 35 U H3' . 18503 1 459 . 1 1 35 35 U H4' H 1 4.500 0.005 . 1 . . . A 35 U H4' . 18503 1 460 . 1 1 35 35 U H5 H 1 5.469 0.005 . 1 . . . A 35 U H5 . 18503 1 461 . 1 1 35 35 U H5'' H 1 4.096 0.005 . 1 . . . A 35 U H5'' . 18503 1 462 . 1 1 35 35 U H6 H 1 7.827 0.005 . 1 . . . A 35 U H6 . 18503 1 463 . 1 1 35 35 U C1' C 13 93.729 0.05 . 1 . . . A 35 U C1' . 18503 1 464 . 1 1 35 35 U C2' C 13 75.415 0.05 . 1 . . . A 35 U C2' . 18503 1 465 . 1 1 35 35 U C3' C 13 72.323 0.05 . 1 . . . A 35 U C3' . 18503 1 466 . 1 1 35 35 U C5 C 13 103.821 0.05 . 1 . . . A 35 U C5 . 18503 1 467 . 1 1 35 35 U C6 C 13 141.561 0.05 . 1 . . . A 35 U C6 . 18503 1 468 . 1 1 35 35 U N3 N 15 162.076 0.05 . 1 . . . A 35 U N3 . 18503 1 469 . 1 1 36 36 G H1 H 1 11.748 0.005 . 1 . . . A 36 G H1 . 18503 1 470 . 1 1 36 36 G H1' H 1 5.733 0.005 . 1 . . . A 36 G H1' . 18503 1 471 . 1 1 36 36 G H2' H 1 4.532 0.005 . 1 . . . A 36 G H2' . 18503 1 472 . 1 1 36 36 G H3' H 1 4.515 0.005 . 1 . . . A 36 G H3' . 18503 1 473 . 1 1 36 36 G H4' H 1 4.500 0.005 . 1 . . . A 36 G H4' . 18503 1 474 . 1 1 36 36 G H5'' H 1 4.129 0.005 . 1 . . . A 36 G H5'' . 18503 1 475 . 1 1 36 36 G H8 H 1 7.697 0.005 . 1 . . . A 36 G H8 . 18503 1 476 . 1 1 36 36 G C1' C 13 92.632 0.05 . 1 . . . A 36 G C1' . 18503 1 477 . 1 1 36 36 G C2' C 13 75.202 0.05 . 1 . . . A 36 G C2' . 18503 1 478 . 1 1 36 36 G C8 C 13 136.349 0.05 . 1 . . . A 36 G C8 . 18503 1 479 . 1 1 36 36 G N7 N 15 235.449 0.05 . 1 . . . A 36 G N7 . 18503 1 480 . 1 1 37 37 A H1' H 1 5.958 0.005 . 1 . . . A 37 A H1' . 18503 1 481 . 1 1 37 37 A H2 H 1 7.759 0.005 . 1 . . . A 37 A H2 . 18503 1 482 . 1 1 37 37 A H2' H 1 4.534 0.005 . 1 . . . A 37 A H2' . 18503 1 483 . 1 1 37 37 A H8 H 1 7.755 0.005 . 1 . . . A 37 A H8 . 18503 1 484 . 1 1 37 37 A C1' C 13 92.527 0.05 . 1 . . . A 37 A C1' . 18503 1 485 . 1 1 37 37 A C2 C 13 153.996 0.05 . 1 . . . A 37 A C2 . 18503 1 486 . 1 1 37 37 A C8 C 13 139.444 0.05 . 1 . . . A 37 A C8 . 18503 1 487 . 1 1 38 38 G H1' H 1 5.312 0.005 . 1 . . . A 38 G H1' . 18503 1 488 . 1 1 38 38 G H2' H 1 4.619 0.005 . 1 . . . A 38 G H2' . 18503 1 489 . 1 1 38 38 G H8 H 1 7.482 0.005 . 1 . . . A 38 G H8 . 18503 1 490 . 1 1 38 38 G C1' C 13 90.097 0.05 . 1 . . . A 38 G C1' . 18503 1 491 . 1 1 39 39 A H1' H 1 5.937 0.005 . 1 . . . A 39 A H1' . 18503 1 492 . 1 1 39 39 A H2 H 1 7.469 0.005 . 1 . . . A 39 A H2 . 18503 1 493 . 1 1 39 39 A H2' H 1 4.589 0.005 . 1 . . . A 39 A H2' . 18503 1 494 . 1 1 39 39 A H3' H 1 4.640 0.005 . 1 . . . A 39 A H3' . 18503 1 495 . 1 1 39 39 A H8 H 1 7.794 0.005 . 1 . . . A 39 A H8 . 18503 1 496 . 1 1 39 39 A C1' C 13 92.731 0.05 . 1 . . . A 39 A C1' . 18503 1 497 . 1 1 39 39 A C2 C 13 153.275 0.05 . 1 . . . A 39 A C2 . 18503 1 498 . 1 1 39 39 A C2' C 13 75.497 0.05 . 1 . . . A 39 A C2' . 18503 1 499 . 1 1 39 39 A C3' C 13 72.700 0.05 . 1 . . . A 39 A C3' . 18503 1 500 . 1 1 39 39 A C8 C 13 139.493 0.05 . 1 . . . A 39 A C8 . 18503 1 501 . 1 1 39 39 A N1 N 15 221.541 0.05 . 1 . . . A 39 A N1 . 18503 1 502 . 1 1 39 39 A N3 N 15 212.710 0.05 . 1 . . . A 39 A N3 . 18503 1 503 . 1 1 39 39 A N7 N 15 229.684 0.05 . 1 . . . A 39 A N7 . 18503 1 504 . 1 1 40 40 G H1 H 1 13.384 0.005 . 1 . . . A 40 G H1 . 18503 1 505 . 1 1 40 40 G H2' H 1 4.295 0.005 . 1 . . . A 40 G H2' . 18503 1 506 . 1 1 40 40 G H3' H 1 4.307 0.005 . 1 . . . A 40 G H3' . 18503 1 507 . 1 1 40 40 G H5'' H 1 4.004 0.005 . 1 . . . A 40 G H5'' . 18503 1 508 . 1 1 40 40 G H8 H 1 7.093 0.005 . 1 . . . A 40 G H8 . 18503 1 509 . 1 1 40 40 G C2' C 13 76.938 0.05 . 1 . . . A 40 G C2' . 18503 1 510 . 1 1 40 40 G C8 C 13 135.530 0.05 . 1 . . . A 40 G C8 . 18503 1 511 . 1 1 40 40 G N1 N 15 148.127 0.05 . 1 . . . A 40 G N1 . 18503 1 512 . 1 1 40 40 G N7 N 15 234.460 0.05 . 1 . . . A 40 G N7 . 18503 1 513 . 1 1 41 41 C H1' H 1 5.413 0.005 . 1 . . . A 41 C H1' . 18503 1 514 . 1 1 41 41 C H2' H 1 4.366 0.005 . 1 . . . A 41 C H2' . 18503 1 515 . 1 1 41 41 C H3' H 1 4.190 0.005 . 1 . . . A 41 C H3' . 18503 1 516 . 1 1 41 41 C H5 H 1 5.073 0.005 . 1 . . . A 41 C H5 . 18503 1 517 . 1 1 41 41 C H6 H 1 7.281 0.005 . 1 . . . A 41 C H6 . 18503 1 518 . 1 1 41 41 C H41 H 1 8.307 0.005 . 1 . . . A 41 C H41 . 18503 1 519 . 1 1 41 41 C H42 H 1 6.917 0.005 . 1 . . . A 41 C H42 . 18503 1 520 . 1 1 41 41 C C1' C 13 93.796 0.05 . 1 . . . A 41 C C1' . 18503 1 521 . 1 1 41 41 C C2' C 13 75.554 0.05 . 1 . . . A 41 C C2' . 18503 1 522 . 1 1 41 41 C C3' C 13 72.528 0.05 . 1 . . . A 41 C C3' . 18503 1 523 . 1 1 41 41 C C5 C 13 97.223 0.05 . 1 . . . A 41 C C5 . 18503 1 524 . 1 1 41 41 C C6 C 13 140.553 0.05 . 1 . . . A 41 C C6 . 18503 1 525 . 1 1 42 42 U H1' H 1 5.517 0.005 . 1 . . . A 42 U H1' . 18503 1 526 . 1 1 42 42 U H2' H 1 4.082 0.005 . 1 . . . A 42 U H2' . 18503 1 527 . 1 1 42 42 U H3' H 1 4.407 0.005 . 1 . . . A 42 U H3' . 18503 1 528 . 1 1 42 42 U H4' H 1 4.320 0.005 . 1 . . . A 42 U H4' . 18503 1 529 . 1 1 42 42 U H5 H 1 5.473 0.005 . 1 . . . A 42 U H5 . 18503 1 530 . 1 1 42 42 U H6 H 1 7.616 0.005 . 1 . . . A 42 U H6 . 18503 1 531 . 1 1 42 42 U C1' C 13 93.782 0.05 . 1 . . . A 42 U C1' . 18503 1 532 . 1 1 42 42 U C2' C 13 75.562 0.05 . 1 . . . A 42 U C2' . 18503 1 533 . 1 1 42 42 U C3' C 13 73.425 0.05 . 1 . . . A 42 U C3' . 18503 1 534 . 1 1 42 42 U C4' C 13 82.742 0.05 . 1 . . . A 42 U C4' . 18503 1 535 . 1 1 42 42 U C5 C 13 104.389 0.05 . 1 . . . A 42 U C5 . 18503 1 536 . 1 1 42 42 U C6 C 13 141.432 0.05 . 1 . . . A 42 U C6 . 18503 1 537 . 1 1 43 43 A H1' H 1 5.747 0.005 . 1 . . . A 43 A H1' . 18503 1 538 . 1 1 43 43 A H2 H 1 7.062 0.005 . 1 . . . A 43 A H2 . 18503 1 539 . 1 1 43 43 A H2' H 1 4.320 0.005 . 1 . . . A 43 A H2' . 18503 1 540 . 1 1 43 43 A H3' H 1 4.665 0.005 . 1 . . . A 43 A H3' . 18503 1 541 . 1 1 43 43 A H4' H 1 4.297 0.005 . 1 . . . A 43 A H4' . 18503 1 542 . 1 1 43 43 A H5' H 1 4.237 0.005 . 1 . . . A 43 A H5' . 18503 1 543 . 1 1 43 43 A H5'' H 1 4.077 0.005 . 1 . . . A 43 A H5'' . 18503 1 544 . 1 1 43 43 A H8 H 1 8.013 0.005 . 1 . . . A 43 A H8 . 18503 1 545 . 1 1 43 43 A C1' C 13 89.809 0.05 . 1 . . . A 43 A C1' . 18503 1 546 . 1 1 43 43 A C2 C 13 154.062 0.05 . 1 . . . A 43 A C2 . 18503 1 547 . 1 1 43 43 A C2' C 13 76.616 0.05 . 1 . . . A 43 A C2' . 18503 1 548 . 1 1 43 43 A C3' C 13 74.412 0.05 . 1 . . . A 43 A C3' . 18503 1 549 . 1 1 43 43 A C4' C 13 84.891 0.05 . 1 . . . A 43 A C4' . 18503 1 550 . 1 1 43 43 A C8 C 13 141.007 0.05 . 1 . . . A 43 A C8 . 18503 1 551 . 1 1 43 43 A N1 N 15 226.570 0.05 . 1 . . . A 43 A N1 . 18503 1 552 . 1 1 43 43 A N3 N 15 216.397 0.05 . 1 . . . A 43 A N3 . 18503 1 553 . 1 1 43 43 A N7 N 15 232.839 0.05 . 1 . . . A 43 A N7 . 18503 1 554 . 1 1 44 44 A H1' H 1 5.983 0.005 . 1 . . . A 44 A H1' . 18503 1 555 . 1 1 44 44 A H2 H 1 8.003 0.005 . 1 . . . A 44 A H2 . 18503 1 556 . 1 1 44 44 A H2' H 1 4.880 0.005 . 1 . . . A 44 A H2' . 18503 1 557 . 1 1 44 44 A H3' H 1 4.921 0.005 . 1 . . . A 44 A H3' . 18503 1 558 . 1 1 44 44 A H4' H 1 4.599 0.005 . 1 . . . A 44 A H4' . 18503 1 559 . 1 1 44 44 A H5' H 1 4.402 0.005 . 1 . . . A 44 A H5' . 18503 1 560 . 1 1 44 44 A H5'' H 1 4.179 0.005 . 1 . . . A 44 A H5'' . 18503 1 561 . 1 1 44 44 A H8 H 1 8.267 0.005 . 1 . . . A 44 A H8 . 18503 1 562 . 1 1 44 44 A C1' C 13 90.734 0.05 . 1 . . . A 44 A C1' . 18503 1 563 . 1 1 44 44 A C2 C 13 154.688 0.05 . 1 . . . A 44 A C2 . 18503 1 564 . 1 1 44 44 A C2' C 13 75.994 0.05 . 1 . . . A 44 A C2' . 18503 1 565 . 1 1 44 44 A C4' C 13 84.690 0.05 . 1 . . . A 44 A C4' . 18503 1 566 . 1 1 44 44 A C5' C 13 66.861 0.05 . 1 . . . A 44 A C5' . 18503 1 567 . 1 1 44 44 A C8 C 13 141.882 0.05 . 1 . . . A 44 A C8 . 18503 1 568 . 1 1 44 44 A N1 N 15 225.613 0.05 . 1 . . . A 44 A N1 . 18503 1 569 . 1 1 44 44 A N3 N 15 216.522 0.05 . 1 . . . A 44 A N3 . 18503 1 570 . 1 1 44 44 A N7 N 15 232.869 0.05 . 1 . . . A 44 A N7 . 18503 1 571 . 1 1 45 45 G H1 H 1 11.324 0.005 . 1 . . . A 45 G H1 . 18503 1 572 . 1 1 45 45 G H1' H 1 5.678 0.005 . 1 . . . A 45 G H1' . 18503 1 573 . 1 1 45 45 G H2' H 1 4.705 0.005 . 1 . . . A 45 G H2' . 18503 1 574 . 1 1 45 45 G H3' H 1 4.545 0.005 . 1 . . . A 45 G H3' . 18503 1 575 . 1 1 45 45 G H8 H 1 7.944 0.005 . 1 . . . A 45 G H8 . 18503 1 576 . 1 1 45 45 G C1' C 13 92.201 0.05 . 1 . . . A 45 G C1' . 18503 1 577 . 1 1 45 45 G C8 C 13 138.236 0.05 . 1 . . . A 45 G C8 . 18503 1 578 . 1 1 45 45 G N1 N 15 144.768 0.05 . 1 . . . A 45 G N1 . 18503 1 579 . 1 1 45 45 G N7 N 15 235.383 0.05 . 1 . . . A 45 G N7 . 18503 1 580 . 1 1 46 46 U H1' H 1 5.505 0.005 . 1 . . . A 46 U H1' . 18503 1 581 . 1 1 46 46 U H2' H 1 4.416 0.005 . 1 . . . A 46 U H2' . 18503 1 582 . 1 1 46 46 U H3 H 1 14.048 0.005 . 1 . . . A 46 U H3 . 18503 1 583 . 1 1 46 46 U H3' H 1 4.480 0.005 . 1 . . . A 46 U H3' . 18503 1 584 . 1 1 46 46 U H4' H 1 4.472 0.005 . 1 . . . A 46 U H4' . 18503 1 585 . 1 1 46 46 U H5 H 1 5.357 0.005 . 1 . . . A 46 U H5 . 18503 1 586 . 1 1 46 46 U H6 H 1 7.750 0.005 . 1 . . . A 46 U H6 . 18503 1 587 . 1 1 46 46 U C1' C 13 93.855 0.05 . 1 . . . A 46 U C1' . 18503 1 588 . 1 1 46 46 U C2' C 13 75.611 0.05 . 1 . . . A 46 U C2' . 18503 1 589 . 1 1 46 46 U C3' C 13 72.518 0.05 . 1 . . . A 46 U C3' . 18503 1 590 . 1 1 46 46 U C4' C 13 82.346 0.05 . 1 . . . A 46 U C4' . 18503 1 591 . 1 1 46 46 U C5 C 13 103.426 0.05 . 1 . . . A 46 U C5 . 18503 1 592 . 1 1 46 46 U C6 C 13 141.617 0.05 . 1 . . . A 46 U C6 . 18503 1 593 . 1 1 46 46 U N3 N 15 163.081 0.05 . 1 . . . A 46 U N3 . 18503 1 594 . 1 1 47 47 U H1' H 1 5.660 0.005 . 1 . . . A 47 U H1' . 18503 1 595 . 1 1 47 47 U H2' H 1 4.462 0.005 . 1 . . . A 47 U H2' . 18503 1 596 . 1 1 47 47 U H3 H 1 13.779 0.005 . 1 . . . A 47 U H3 . 18503 1 597 . 1 1 47 47 U H3' H 1 4.544 0.005 . 1 . . . A 47 U H3' . 18503 1 598 . 1 1 47 47 U H4' H 1 4.406 0.005 . 1 . . . A 47 U H4' . 18503 1 599 . 1 1 47 47 U H5 H 1 5.580 0.005 . 1 . . . A 47 U H5 . 18503 1 600 . 1 1 47 47 U H5'' H 1 4.084 0.005 . 1 . . . A 47 U H5'' . 18503 1 601 . 1 1 47 47 U H6 H 1 8.038 0.005 . 1 . . . A 47 U H6 . 18503 1 602 . 1 1 47 47 U C1' C 13 93.702 0.05 . 1 . . . A 47 U C1' . 18503 1 603 . 1 1 47 47 U C2' C 13 75.293 0.05 . 1 . . . A 47 U C2' . 18503 1 604 . 1 1 47 47 U C3' C 13 72.448 0.05 . 1 . . . A 47 U C3' . 18503 1 605 . 1 1 47 47 U C4' C 13 82.540 0.05 . 1 . . . A 47 U C4' . 18503 1 606 . 1 1 47 47 U C5 C 13 103.390 0.05 . 1 . . . A 47 U C5 . 18503 1 607 . 1 1 47 47 U C6 C 13 142.588 0.05 . 1 . . . A 47 U C6 . 18503 1 608 . 1 1 47 47 U N3 N 15 163.275 0.05 . 1 . . . A 47 U N3 . 18503 1 609 . 1 1 48 48 C H1' H 1 5.552 0.005 . 1 . . . A 48 C H1' . 18503 1 610 . 1 1 48 48 C H2' H 1 4.191 0.005 . 1 . . . A 48 C H2' . 18503 1 611 . 1 1 48 48 C H3' H 1 4.472 0.005 . 1 . . . A 48 C H3' . 18503 1 612 . 1 1 48 48 C H5 H 1 5.654 0.005 . 1 . . . A 48 C H5 . 18503 1 613 . 1 1 48 48 C H5'' H 1 4.079 0.005 . 1 . . . A 48 C H5'' . 18503 1 614 . 1 1 48 48 C H6 H 1 7.890 0.005 . 1 . . . A 48 C H6 . 18503 1 615 . 1 1 48 48 C H41 H 1 8.371 0.005 . 1 . . . A 48 C H41 . 18503 1 616 . 1 1 48 48 C H42 H 1 6.998 0.005 . 1 . . . A 48 C H42 . 18503 1 617 . 1 1 48 48 C C1' C 13 94.107 0.05 . 1 . . . A 48 C C1' . 18503 1 618 . 1 1 48 48 C C2' C 13 75.656 0.05 . 1 . . . A 48 C C2' . 18503 1 619 . 1 1 48 48 C C3' C 13 72.215 0.05 . 1 . . . A 48 C C3' . 18503 1 620 . 1 1 48 48 C C5 C 13 97.462 0.05 . 1 . . . A 48 C C5 . 18503 1 621 . 1 1 48 48 C C6 C 13 141.881 0.05 . 1 . . . A 48 C C6 . 18503 1 622 . 1 1 49 49 C H1' H 1 5.707 0.005 . 1 . . . A 49 C H1' . 18503 1 623 . 1 1 49 49 C H2' H 1 3.975 0.005 . 1 . . . A 49 C H2' . 18503 1 624 . 1 1 49 49 C H3' H 1 4.155 0.005 . 1 . . . A 49 C H3' . 18503 1 625 . 1 1 49 49 C H4' H 1 4.152 0.005 . 1 . . . A 49 C H4' . 18503 1 626 . 1 1 49 49 C H5 H 1 5.473 0.005 . 1 . . . A 49 C H5 . 18503 1 627 . 1 1 49 49 C H5'' H 1 4.021 0.005 . 1 . . . A 49 C H5'' . 18503 1 628 . 1 1 49 49 C H6 H 1 7.642 0.005 . 1 . . . A 49 C H6 . 18503 1 629 . 1 1 49 49 C H41 H 1 8.298 0.005 . 1 . . . A 49 C H41 . 18503 1 630 . 1 1 49 49 C H42 H 1 6.990 0.005 . 1 . . . A 49 C H42 . 18503 1 631 . 1 1 49 49 C C1' C 13 92.727 0.05 . 1 . . . A 49 C C1' . 18503 1 632 . 1 1 49 49 C C2' C 13 77.537 0.05 . 1 . . . A 49 C C2' . 18503 1 633 . 1 1 49 49 C C3' C 13 69.802 0.05 . 1 . . . A 49 C C3' . 18503 1 634 . 1 1 49 49 C C4' C 13 83.525 0.05 . 1 . . . A 49 C C4' . 18503 1 635 . 1 1 49 49 C C5 C 13 98.018 0.05 . 1 . . . A 49 C C5 . 18503 1 636 . 1 1 49 49 C C6 C 13 141.809 0.05 . 1 . . . A 49 C C6 . 18503 1 stop_ save_ save_chem_shifts_withMg _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shifts_withMg _Assigned_chem_shift_list.Entry_ID 18503 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $300K_d2o _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 18503 2 4 '2D 1H-1H NOESY' . . . 18503 2 5 '2D 1H-15N HSQC' . . . 18503 2 6 '2D 1H-13C HSQC' . . . 18503 2 9 '2D 1H-15N HSQC' . . . 18503 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.713 0.005 . 1 . . . A 1 G H1 . 18503 2 2 . 1 1 1 1 G H1' H 1 5.685 0.005 . 1 . . . A 1 G H1' . 18503 2 3 . 1 1 1 1 G H2' H 1 4.812 0.005 . 1 . . . A 1 G H2' . 18503 2 4 . 1 1 1 1 G H8 H 1 8.116 0.005 . 1 . . . A 1 G H8 . 18503 2 5 . 1 1 1 1 G N1 N 15 148.320 0.05 . 1 . . . A 1 G N1 . 18503 2 6 . 1 1 2 2 G H1 H 1 12.422 0.005 . 1 . . . A 2 G H1 . 18503 2 7 . 1 1 2 2 G H1' H 1 5.834 0.005 . 1 . . . A 2 G H1' . 18503 2 8 . 1 1 2 2 G H2' H 1 4.574 0.005 . 1 . . . A 2 G H2' . 18503 2 9 . 1 1 2 2 G H8 H 1 7.510 0.005 . 1 . . . A 2 G H8 . 18503 2 10 . 1 1 2 2 G C8 C 13 136.996 0.05 . 1 . . . A 2 G C8 . 18503 2 11 . 1 1 2 2 G N1 N 15 147.019 0.05 . 1 . . . A 2 G N1 . 18503 2 12 . 1 1 3 3 A H1' H 1 5.875 0.005 . 1 . . . A 3 A H1' . 18503 2 13 . 1 1 3 3 A H2 H 1 7.160 0.005 . 1 . . . A 3 A H2 . 18503 2 14 . 1 1 3 3 A H2' H 1 4.526 0.005 . 1 . . . A 3 A H2' . 18503 2 15 . 1 1 3 3 A H8 H 1 7.705 0.005 . 1 . . . A 3 A H8 . 18503 2 16 . 1 1 3 3 A H61 H 1 7.885 0.005 . 1 . . . A 3 A H61 . 18503 2 17 . 1 1 3 3 A H62 H 1 6.487 0.005 . 1 . . . A 3 A H62 . 18503 2 18 . 1 1 3 3 A C2 C 13 153.116 0.05 . 1 . . . A 3 A C2 . 18503 2 19 . 1 1 3 3 A C8 C 13 139.276 0.05 . 1 . . . A 3 A C8 . 18503 2 20 . 1 1 3 3 A N1 N 15 221.203 0.05 . 1 . . . A 3 A N1 . 18503 2 21 . 1 1 4 4 A H1' H 1 5.833 0.005 . 1 . . . A 4 A H1' . 18503 2 22 . 1 1 4 4 A H2 H 1 7.793 0.005 . 1 . . . A 4 A H2 . 18503 2 23 . 1 1 4 4 A H2' H 1 4.360 0.005 . 1 . . . A 4 A H2' . 18503 2 24 . 1 1 4 4 A H8 H 1 7.533 0.005 . 1 . . . A 4 A H8 . 18503 2 25 . 1 1 4 4 A H61 H 1 8.082 0.005 . 1 . . . A 4 A H61 . 18503 2 26 . 1 1 4 4 A H62 H 1 6.462 0.005 . 1 . . . A 4 A H62 . 18503 2 27 . 1 1 4 4 A C2 C 13 154.075 0.05 . 1 . . . A 4 A C2 . 18503 2 28 . 1 1 4 4 A C8 C 13 138.830 0.05 . 1 . . . A 4 A C8 . 18503 2 29 . 1 1 5 5 U H1' H 1 5.379 0.005 . 1 . . . A 5 U H1' . 18503 2 30 . 1 1 5 5 U H2' H 1 4.373 0.005 . 1 . . . A 5 U H2' . 18503 2 31 . 1 1 5 5 U H3 H 1 11.234 0.005 . 1 . . . A 5 U H3 . 18503 2 32 . 1 1 5 5 U H6 H 1 7.323 0.005 . 1 . . . A 5 U H6 . 18503 2 33 . 1 1 5 5 U C6 C 13 140.291 0.05 . 1 . . . A 5 U C6 . 18503 2 34 . 1 1 5 5 U N3 N 15 158.331 0.05 . 1 . . . A 5 U N3 . 18503 2 35 . 1 1 6 6 A H1' H 1 5.856 0.005 . 1 . . . A 6 A H1' . 18503 2 36 . 1 1 6 6 A H2' H 1 4.735 0.005 . 1 . . . A 6 A H2' . 18503 2 37 . 1 1 6 6 A H8 H 1 7.991 0.005 . 1 . . . A 6 A H8 . 18503 2 38 . 1 1 6 6 A C1' C 13 88.640 0.05 . 1 . . . A 6 A C1' . 18503 2 39 . 1 1 6 6 A C2 C 13 154.720 0.05 . 1 . . . A 6 A C2 . 18503 2 40 . 1 1 6 6 A C8 C 13 141.194 0.05 . 1 . . . A 6 A C8 . 18503 2 41 . 1 1 7 7 U H1' H 1 5.637 0.005 . 1 . . . A 7 U H1' . 18503 2 42 . 1 1 7 7 U H2' H 1 4.619 0.005 . 1 . . . A 7 U H2' . 18503 2 43 . 1 1 7 7 U H6 H 1 7.987 0.005 . 1 . . . A 7 U H6 . 18503 2 44 . 1 1 7 7 U C6 C 13 143.267 0.05 . 1 . . . A 7 U C6 . 18503 2 45 . 1 1 8 8 G H1 H 1 12.965 0.005 . 1 . . . A 8 G H1 . 18503 2 46 . 1 1 8 8 G H1' H 1 5.006 0.005 . 1 . . . A 8 G H1' . 18503 2 47 . 1 1 8 8 G H2' H 1 4.364 0.005 . 1 . . . A 8 G H2' . 18503 2 48 . 1 1 8 8 G H8 H 1 7.396 0.005 . 1 . . . A 8 G H8 . 18503 2 49 . 1 1 8 8 G C8 C 13 137.300 0.05 . 1 . . . A 8 G C8 . 18503 2 50 . 1 1 8 8 G N1 N 15 148.062 0.05 . 1 . . . A 8 G N1 . 18503 2 51 . 1 1 9 9 C H1' H 1 5.432 0.005 . 1 . . . A 9 C H1' . 18503 2 52 . 1 1 9 9 C H2' H 1 4.316 0.005 . 1 . . . A 9 C H2' . 18503 2 53 . 1 1 9 9 C H6 H 1 7.684 0.005 . 1 . . . A 9 C H6 . 18503 2 54 . 1 1 9 9 C H41 H 1 8.517 0.005 . 1 . . . A 9 C H41 . 18503 2 55 . 1 1 9 9 C H42 H 1 6.845 0.005 . 1 . . . A 9 C H42 . 18503 2 56 . 1 1 9 9 C C6 C 13 141.095 0.05 . 1 . . . A 9 C C6 . 18503 2 57 . 1 1 10 10 U H1' H 1 5.531 0.005 . 1 . . . A 10 U H1' . 18503 2 58 . 1 1 10 10 U H2' H 1 4.317 0.005 . 1 . . . A 10 U H2' . 18503 2 59 . 1 1 10 10 U H3 H 1 14.370 0.005 . 1 . . . A 10 U H3 . 18503 2 60 . 1 1 10 10 U H6 H 1 7.914 0.005 . 1 . . . A 10 U H6 . 18503 2 61 . 1 1 10 10 U C6 C 13 141.983 0.05 . 1 . . . A 10 U C6 . 18503 2 62 . 1 1 10 10 U N3 N 15 162.797 0.05 . 1 . . . A 10 U N3 . 18503 2 63 . 1 1 11 11 C H1' H 1 6.138 0.005 . 1 . . . A 11 C H1' . 18503 2 64 . 1 1 11 11 C H2' H 1 4.282 0.005 . 1 . . . A 11 C H2' . 18503 2 65 . 1 1 11 11 C H6 H 1 7.757 0.005 . 1 . . . A 11 C H6 . 18503 2 66 . 1 1 11 11 C H41 H 1 8.395 0.005 . 1 . . . A 11 C H41 . 18503 2 67 . 1 1 11 11 C H42 H 1 6.835 0.005 . 1 . . . A 11 C H42 . 18503 2 68 . 1 1 11 11 C C1' C 13 91.907 0.05 . 1 . . . A 11 C C1' . 18503 2 69 . 1 1 12 12 A H1' H 1 5.851 0.005 . 1 . . . A 12 A H1' . 18503 2 70 . 1 1 12 12 A H2 H 1 8.080 0.005 . 1 . . . A 12 A H2 . 18503 2 71 . 1 1 12 12 A H2' H 1 4.970 0.005 . 1 . . . A 12 A H2' . 18503 2 72 . 1 1 12 12 A H8 H 1 7.484 0.005 . 1 . . . A 12 A H8 . 18503 2 73 . 1 1 12 12 A C2 C 13 154.038 0.05 . 1 . . . A 12 A C2 . 18503 2 74 . 1 1 12 12 A C8 C 13 139.636 0.05 . 1 . . . A 12 A C8 . 18503 2 75 . 1 1 12 12 A N3 N 15 216.720 0.05 . 1 . . . A 12 A N3 . 18503 2 76 . 1 1 13 13 A H1' H 1 5.143 0.005 . 1 . . . A 13 A H1' . 18503 2 77 . 1 1 13 13 A H2 H 1 7.924 0.005 . 1 . . . A 13 A H2 . 18503 2 78 . 1 1 13 13 A H2' H 1 4.231 0.005 . 1 . . . A 13 A H2' . 18503 2 79 . 1 1 13 13 A H8 H 1 7.871 0.005 . 1 . . . A 13 A H8 . 18503 2 80 . 1 1 13 13 A C1' C 13 92.357 0.05 . 1 . . . A 13 A C1' . 18503 2 81 . 1 1 13 13 A C2 C 13 154.005 0.05 . 1 . . . A 13 A C2 . 18503 2 82 . 1 1 13 13 A C8 C 13 139.153 0.05 . 1 . . . A 13 A C8 . 18503 2 83 . 1 1 14 14 C H1' H 1 5.618 0.005 . 1 . . . A 14 C H1' . 18503 2 84 . 1 1 14 14 C H2' H 1 4.357 0.005 . 1 . . . A 14 C H2' . 18503 2 85 . 1 1 14 14 C H6 H 1 7.324 0.005 . 1 . . . A 14 C H6 . 18503 2 86 . 1 1 14 14 C H41 H 1 8.137 0.005 . 1 . . . A 14 C H41 . 18503 2 87 . 1 1 14 14 C H42 H 1 6.761 0.005 . 1 . . . A 14 C H42 . 18503 2 88 . 1 1 14 14 C C6 C 13 139.819 0.05 . 1 . . . A 14 C C6 . 18503 2 89 . 1 1 15 15 G H1 H 1 10.772 0.005 . 1 . . . A 15 G H1 . 18503 2 90 . 1 1 15 15 G H1' H 1 5.689 0.005 . 1 . . . A 15 G H1' . 18503 2 91 . 1 1 15 15 G H2' H 1 4.271 0.005 . 1 . . . A 15 G H2' . 18503 2 92 . 1 1 15 15 G H8 H 1 7.545 0.005 . 1 . . . A 15 G H8 . 18503 2 93 . 1 1 15 15 G H22 H 1 8.221 0.005 . 1 . . . A 15 G H22 . 18503 2 94 . 1 1 15 15 G C8 C 13 136.600 0.05 . 1 . . . A 15 G C8 . 18503 2 95 . 1 1 15 15 G N1 N 15 146.081 0.05 . 1 . . . A 15 G N1 . 18503 2 96 . 1 1 16 16 A H1' H 1 5.661 0.005 . 1 . . . A 16 A H1' . 18503 2 97 . 1 1 16 16 A H2 H 1 7.746 0.005 . 1 . . . A 16 A H2 . 18503 2 98 . 1 1 16 16 A H2' H 1 4.782 0.005 . 1 . . . A 16 A H2' . 18503 2 99 . 1 1 16 16 A H8 H 1 8.288 0.005 . 1 . . . A 16 A H8 . 18503 2 100 . 1 1 16 16 A C2 C 13 153.994 0.05 . 1 . . . A 16 A C2 . 18503 2 101 . 1 1 16 16 A C8 C 13 142.153 0.05 . 1 . . . A 16 A C8 . 18503 2 102 . 1 1 16 16 A N1 N 15 223.404 0.05 . 1 . . . A 16 A N1 . 18503 2 103 . 1 1 16 16 A N3 N 15 215.982 0.05 . 1 . . . A 16 A N3 . 18503 2 104 . 1 1 16 16 A N7 N 15 228.702 0.05 . 1 . . . A 16 A N7 . 18503 2 105 . 1 1 17 17 A H1' H 1 5.340 0.005 . 1 . . . A 17 A H1' . 18503 2 106 . 1 1 17 17 A H2 H 1 7.770 0.005 . 1 . . . A 17 A H2 . 18503 2 107 . 1 1 17 17 A H2' H 1 4.537 0.005 . 1 . . . A 17 A H2' . 18503 2 108 . 1 1 17 17 A H8 H 1 7.919 0.005 . 1 . . . A 17 A H8 . 18503 2 109 . 1 1 17 17 A C1' C 13 93.059 0.05 . 1 . . . A 17 A C1' . 18503 2 110 . 1 1 17 17 A C2 C 13 154.420 0.05 . 1 . . . A 17 A C2 . 18503 2 111 . 1 1 17 17 A C8 C 13 140.067 0.05 . 1 . . . A 17 A C8 . 18503 2 112 . 1 1 17 17 A N1 N 15 226.233 0.05 . 1 . . . A 17 A N1 . 18503 2 113 . 1 1 17 17 A N3 N 15 215.181 0.05 . 1 . . . A 17 A N3 . 18503 2 114 . 1 1 18 18 A H1' H 1 5.852 0.005 . 1 . . . A 18 A H1' . 18503 2 115 . 1 1 18 18 A H2 H 1 8.183 0.005 . 1 . . . A 18 A H2 . 18503 2 116 . 1 1 18 18 A H2' H 1 4.718 0.005 . 1 . . . A 18 A H2' . 18503 2 117 . 1 1 18 18 A H8 H 1 8.182 0.005 . 1 . . . A 18 A H8 . 18503 2 118 . 1 1 18 18 A C2 C 13 155.517 0.05 . 1 . . . A 18 A C2 . 18503 2 119 . 1 1 18 18 A C8 C 13 140.159 0.05 . 1 . . . A 18 A C8 . 18503 2 120 . 1 1 18 18 A N1 N 15 226.467 0.05 . 1 . . . A 18 A N1 . 18503 2 121 . 1 1 18 18 A N3 N 15 215.997 0.05 . 1 . . . A 18 A N3 . 18503 2 122 . 1 1 19 19 G H1 H 1 13.069 0.005 . 1 . . . A 19 G H1 . 18503 2 123 . 1 1 19 19 G H1' H 1 3.689 0.005 . 1 . . . A 19 G H1' . 18503 2 124 . 1 1 19 19 G H2' H 1 3.980 0.005 . 1 . . . A 19 G H2' . 18503 2 125 . 1 1 19 19 G H8 H 1 7.840 0.005 . 1 . . . A 19 G H8 . 18503 2 126 . 1 1 19 19 G C1' C 13 93.082 0.05 . 1 . . . A 19 G C1' . 18503 2 127 . 1 1 19 19 G C8 C 13 137.297 0.05 . 1 . . . A 19 G C8 . 18503 2 128 . 1 1 19 19 G N1 N 15 147.726 0.05 . 1 . . . A 19 G N1 . 18503 2 129 . 1 1 20 20 U H1' H 1 5.727 0.005 . 1 . . . A 20 U H1' . 18503 2 130 . 1 1 20 20 U H2' H 1 4.289 0.005 . 1 . . . A 20 U H2' . 18503 2 131 . 1 1 20 20 U H3 H 1 14.576 0.005 . 1 . . . A 20 U H3 . 18503 2 132 . 1 1 20 20 U H6 H 1 7.461 0.005 . 1 . . . A 20 U H6 . 18503 2 133 . 1 1 20 20 U C6 C 13 140.816 0.05 . 1 . . . A 20 U C6 . 18503 2 134 . 1 1 20 20 U N3 N 15 161.506 0.05 . 1 . . . A 20 U N3 . 18503 2 135 . 1 1 21 21 G H1 H 1 11.396 0.005 . 1 . . . A 21 G H1 . 18503 2 136 . 1 1 21 21 G H1' H 1 5.662 0.005 . 1 . . . A 21 G H1' . 18503 2 137 . 1 1 21 21 G H2' H 1 4.477 0.005 . 1 . . . A 21 G H2' . 18503 2 138 . 1 1 21 21 G H8 H 1 7.870 0.005 . 1 . . . A 21 G H8 . 18503 2 139 . 1 1 21 21 G C8 C 13 137.870 0.05 . 1 . . . A 21 G C8 . 18503 2 140 . 1 1 22 22 A H1' H 1 5.716 0.005 . 1 . . . A 22 A H1' . 18503 2 141 . 1 1 22 22 A H2 H 1 7.782 0.005 . 1 . . . A 22 A H2 . 18503 2 142 . 1 1 22 22 A H2' H 1 4.635 0.005 . 1 . . . A 22 A H2' . 18503 2 143 . 1 1 22 22 A H8 H 1 8.044 0.005 . 1 . . . A 22 A H8 . 18503 2 144 . 1 1 22 22 A C2 C 13 154.621 0.05 . 1 . . . A 22 A C2 . 18503 2 145 . 1 1 22 22 A C8 C 13 141.406 0.05 . 1 . . . A 22 A C8 . 18503 2 146 . 1 1 23 23 A H1' H 1 5.914 0.005 . 1 . . . A 23 A H1' . 18503 2 147 . 1 1 23 23 A H2 H 1 7.818 0.005 . 1 . . . A 23 A H2 . 18503 2 148 . 1 1 23 23 A H2' H 1 4.514 0.005 . 1 . . . A 23 A H2' . 18503 2 149 . 1 1 23 23 A H8 H 1 7.778 0.005 . 1 . . . A 23 A H8 . 18503 2 150 . 1 1 23 23 A C8 C 13 140.260 0.05 . 1 . . . A 23 A C8 . 18503 2 151 . 1 1 24 24 U H1' H 1 5.633 0.005 . 1 . . . A 24 U H1' . 18503 2 152 . 1 1 24 24 U H2' H 1 4.601 0.005 . 1 . . . A 24 U H2' . 18503 2 153 . 1 1 24 24 U H3 H 1 14.108 0.005 . 1 . . . A 24 U H3 . 18503 2 154 . 1 1 24 24 U H6 H 1 7.986 0.005 . 1 . . . A 24 U H6 . 18503 2 155 . 1 1 24 24 U C6 C 13 143.321 0.05 . 1 . . . A 24 U C6 . 18503 2 156 . 1 1 24 24 U N3 N 15 163.407 0.05 . 1 . . . A 24 U N3 . 18503 2 157 . 1 1 25 25 C H1' H 1 5.570 0.005 . 1 . . . A 25 C H1' . 18503 2 158 . 1 1 25 25 C H2' H 1 4.479 0.005 . 1 . . . A 25 C H2' . 18503 2 159 . 1 1 25 25 C H6 H 1 7.917 0.005 . 1 . . . A 25 C H6 . 18503 2 160 . 1 1 25 25 C H41 H 1 8.181 0.005 . 1 . . . A 25 C H41 . 18503 2 161 . 1 1 25 25 C H42 H 1 6.942 0.005 . 1 . . . A 25 C H42 . 18503 2 162 . 1 1 25 25 C C6 C 13 141.868 0.05 . 1 . . . A 25 C C6 . 18503 2 163 . 1 1 26 26 A H1' H 1 5.866 0.005 . 1 . . . A 26 A H1' . 18503 2 164 . 1 1 26 26 A H2 H 1 6.935 0.005 . 1 . . . A 26 A H2 . 18503 2 165 . 1 1 26 26 A H2' H 1 4.550 0.005 . 1 . . . A 26 A H2' . 18503 2 166 . 1 1 26 26 A H8 H 1 8.062 0.005 . 1 . . . A 26 A H8 . 18503 2 167 . 1 1 26 26 A C2 C 13 152.536 0.05 . 1 . . . A 26 A C2 . 18503 2 168 . 1 1 26 26 A C8 C 13 139.566 0.05 . 1 . . . A 26 A C8 . 18503 2 169 . 1 1 26 26 A N1 N 15 219.982 0.05 . 1 . . . A 26 A N1 . 18503 2 170 . 1 1 26 26 A N3 N 15 213.026 0.05 . 1 . . . A 26 A N3 . 18503 2 171 . 1 1 27 27 G H1 H 1 13.476 0.005 . 1 . . . A 27 G H1 . 18503 2 172 . 1 1 27 27 G H1' H 1 5.634 0.005 . 1 . . . A 27 G H1' . 18503 2 173 . 1 1 27 27 G H2' H 1 4.382 0.005 . 1 . . . A 27 G H2' . 18503 2 174 . 1 1 27 27 G H8 H 1 7.310 0.005 . 1 . . . A 27 G H8 . 18503 2 175 . 1 1 27 27 G H22 H 1 6.289 0.005 . 1 . . . A 27 G H22 . 18503 2 176 . 1 1 27 27 G C8 C 13 135.676 0.05 . 1 . . . A 27 G C8 . 18503 2 177 . 1 1 27 27 G N1 N 15 148.245 0.05 . 1 . . . A 27 G N1 . 18503 2 178 . 1 1 28 28 C H1' H 1 5.443 0.005 . 1 . . . A 28 C H1' . 18503 2 179 . 1 1 28 28 C H2' H 1 4.424 0.005 . 1 . . . A 28 C H2' . 18503 2 180 . 1 1 28 28 C H6 H 1 7.368 0.005 . 1 . . . A 28 C H6 . 18503 2 181 . 1 1 28 28 C H41 H 1 8.539 0.005 . 1 . . . A 28 C H41 . 18503 2 182 . 1 1 28 28 C H42 H 1 6.821 0.005 . 1 . . . A 28 C H42 . 18503 2 183 . 1 1 28 28 C C6 C 13 140.308 0.05 . 1 . . . A 28 C C6 . 18503 2 184 . 1 1 29 29 U H1' H 1 5.659 0.005 . 1 . . . A 29 U H1' . 18503 2 185 . 1 1 29 29 U H2' H 1 3.774 0.005 . 1 . . . A 29 U H2' . 18503 2 186 . 1 1 29 29 U H3 H 1 11.802 0.005 . 1 . . . A 29 U H3 . 18503 2 187 . 1 1 29 29 U H6 H 1 7.762 0.005 . 1 . . . A 29 U H6 . 18503 2 188 . 1 1 29 29 U C2' C 13 75.900 0.05 . 1 . . . A 29 U C2' . 18503 2 189 . 1 1 29 29 U C6 C 13 140.711 0.05 . 1 . . . A 29 U C6 . 18503 2 190 . 1 1 29 29 U N3 N 15 160.062 0.05 . 1 . . . A 29 U N3 . 18503 2 191 . 1 1 30 30 U H1' H 1 6.093 0.005 . 1 . . . A 30 U H1' . 18503 2 192 . 1 1 30 30 U H2' H 1 4.657 0.005 . 1 . . . A 30 U H2' . 18503 2 193 . 1 1 30 30 U H6 H 1 8.018 0.005 . 1 . . . A 30 U H6 . 18503 2 194 . 1 1 30 30 U C1' C 13 89.156 0.05 . 1 . . . A 30 U C1' . 18503 2 195 . 1 1 30 30 U C3' C 13 77.736 0.05 . 1 . . . A 30 U C3' . 18503 2 196 . 1 1 30 30 U C4' C 13 86.924 0.05 . 1 . . . A 30 U C4' . 18503 2 197 . 1 1 30 30 U C6 C 13 144.643 0.05 . 1 . . . A 30 U C6 . 18503 2 198 . 1 1 31 31 C H1' H 1 5.955 0.005 . 1 . . . A 31 C H1' . 18503 2 199 . 1 1 31 31 C H2' H 1 4.093 0.005 . 1 . . . A 31 C H2' . 18503 2 200 . 1 1 31 31 C H6 H 1 7.695 0.005 . 1 . . . A 31 C H6 . 18503 2 201 . 1 1 31 31 C H41 H 1 6.383 0.005 . 1 . . . A 31 C H41 . 18503 2 202 . 1 1 31 31 C H42 H 1 7.140 0.005 . 1 . . . A 31 C H42 . 18503 2 203 . 1 1 31 31 C C1' C 13 89.078 0.05 . 1 . . . A 31 C C1' . 18503 2 204 . 1 1 31 31 C C2' C 13 77.527 0.05 . 1 . . . A 31 C C2' . 18503 2 205 . 1 1 31 31 C C3' C 13 80.330 0.05 . 1 . . . A 31 C C3' . 18503 2 206 . 1 1 31 31 C C4' C 13 84.453 0.05 . 1 . . . A 31 C C4' . 18503 2 207 . 1 1 31 31 C C5' C 13 67.308 0.05 . 1 . . . A 31 C C5' . 18503 2 208 . 1 1 31 31 C C6 C 13 142.865 0.05 . 1 . . . A 31 C C6 . 18503 2 209 . 1 1 32 32 G H1 H 1 9.905 0.005 . 1 . . . A 32 G H1 . 18503 2 210 . 1 1 32 32 G H1' H 1 5.965 0.005 . 1 . . . A 32 G H1' . 18503 2 211 . 1 1 32 32 G H2' H 1 4.826 0.005 . 1 . . . A 32 G H2' . 18503 2 212 . 1 1 32 32 G H8 H 1 7.863 0.005 . 1 . . . A 32 G H8 . 18503 2 213 . 1 1 32 32 G H21 H 1 6.681 0.005 . 1 . . . A 32 G H21 . 18503 2 214 . 1 1 32 32 G C1' C 13 94.522 0.05 . 1 . . . A 32 G C1' . 18503 2 215 . 1 1 32 32 G C3' C 13 75.890 0.05 . 1 . . . A 32 G C3' . 18503 2 216 . 1 1 32 32 G C8 C 13 142.957 0.05 . 1 . . . A 32 G C8 . 18503 2 217 . 1 1 32 32 G N7 N 15 231.972 0.05 . 1 . . . A 32 G N7 . 18503 2 218 . 1 1 33 33 G H1 H 1 13.478 0.005 . 1 . . . A 33 G H1 . 18503 2 219 . 1 1 33 33 G H1' H 1 4.420 0.005 . 1 . . . A 33 G H1' . 18503 2 220 . 1 1 33 33 G H2' H 1 4.434 0.005 . 1 . . . A 33 G H2' . 18503 2 221 . 1 1 33 33 G H8 H 1 8.331 0.005 . 1 . . . A 33 G H8 . 18503 2 222 . 1 1 33 33 G H21 H 1 8.880 0.005 . 1 . . . A 33 G H21 . 18503 2 223 . 1 1 33 33 G H22 H 1 6.525 0.005 . 1 . . . A 33 G H22 . 18503 2 224 . 1 1 33 33 G C1' C 13 93.206 0.05 . 1 . . . A 33 G C1' . 18503 2 225 . 1 1 33 33 G C8 C 13 138.930 0.05 . 1 . . . A 33 G C8 . 18503 2 226 . 1 1 33 33 G N1 N 15 148.435 0.05 . 1 . . . A 33 G N1 . 18503 2 227 . 1 1 34 34 C H1' H 1 5.509 0.005 . 1 . . . A 34 C H1' . 18503 2 228 . 1 1 34 34 C H2' H 1 4.406 0.005 . 1 . . . A 34 C H2' . 18503 2 229 . 1 1 34 34 C H6 H 1 7.720 0.005 . 1 . . . A 34 C H6 . 18503 2 230 . 1 1 34 34 C H41 H 1 8.738 0.005 . 1 . . . A 34 C H41 . 18503 2 231 . 1 1 34 34 C H42 H 1 6.902 0.005 . 1 . . . A 34 C H42 . 18503 2 232 . 1 1 34 34 C C6 C 13 141.431 0.05 . 1 . . . A 34 C C6 . 18503 2 233 . 1 1 35 35 U H1' H 1 5.514 0.005 . 1 . . . A 35 U H1' . 18503 2 234 . 1 1 35 35 U H2' H 1 4.576 0.005 . 1 . . . A 35 U H2' . 18503 2 235 . 1 1 35 35 U H3 H 1 13.513 0.005 . 1 . . . A 35 U H3 . 18503 2 236 . 1 1 35 35 U H6 H 1 7.869 0.005 . 1 . . . A 35 U H6 . 18503 2 237 . 1 1 35 35 U C6 C 13 141.466 0.05 . 1 . . . A 35 U C6 . 18503 2 238 . 1 1 35 35 U N3 N 15 161.908 0.05 . 1 . . . A 35 U N3 . 18503 2 239 . 1 1 36 36 G H1 H 1 11.596 0.005 . 1 . . . A 36 G H1 . 18503 2 240 . 1 1 36 36 G H1' H 1 5.748 0.005 . 1 . . . A 36 G H1' . 18503 2 241 . 1 1 36 36 G H2' H 1 4.550 0.005 . 1 . . . A 36 G H2' . 18503 2 242 . 1 1 36 36 G H8 H 1 7.707 0.005 . 1 . . . A 36 G H8 . 18503 2 243 . 1 1 36 36 G H22 H 1 5.859 0.005 . 1 . . . A 36 G H22 . 18503 2 244 . 1 1 36 36 G C8 C 13 136.298 0.05 . 1 . . . A 36 G C8 . 18503 2 245 . 1 1 36 36 G N1 N 15 145.810 0.05 . 1 . . . A 36 G N1 . 18503 2 246 . 1 1 37 37 A H1' H 1 5.792 0.005 . 1 . . . A 37 A H1' . 18503 2 247 . 1 1 37 37 A H2 H 1 7.562 0.005 . 1 . . . A 37 A H2 . 18503 2 248 . 1 1 37 37 A H2' H 1 4.667 0.005 . 1 . . . A 37 A H2' . 18503 2 249 . 1 1 37 37 A H8 H 1 7.563 0.005 . 1 . . . A 37 A H8 . 18503 2 250 . 1 1 37 37 A C2 C 13 153.562 0.05 . 1 . . . A 37 A C2 . 18503 2 251 . 1 1 37 37 A C8 C 13 139.127 0.05 . 1 . . . A 37 A C8 . 18503 2 252 . 1 1 38 38 G H1 H 1 12.526 0.005 . 1 . . . A 38 G H1 . 18503 2 253 . 1 1 38 38 G H1' H 1 5.155 0.005 . 1 . . . A 38 G H1' . 18503 2 254 . 1 1 38 38 G H2' H 1 4.377 0.005 . 1 . . . A 38 G H2' . 18503 2 255 . 1 1 38 38 G H8 H 1 7.201 0.005 . 1 . . . A 38 G H8 . 18503 2 256 . 1 1 38 38 G C8 C 13 135.698 0.05 . 1 . . . A 38 G C8 . 18503 2 257 . 1 1 38 38 G N1 N 15 146.876 0.05 . 1 . . . A 38 G N1 . 18503 2 258 . 1 1 39 39 A H1' H 1 5.882 0.005 . 1 . . . A 39 A H1' . 18503 2 259 . 1 1 39 39 A H2 H 1 7.571 0.005 . 1 . . . A 39 A H2 . 18503 2 260 . 1 1 39 39 A H2' H 1 4.476 0.005 . 1 . . . A 39 A H2' . 18503 2 261 . 1 1 39 39 A H8 H 1 7.807 0.005 . 1 . . . A 39 A H8 . 18503 2 262 . 1 1 39 39 A C2 C 13 153.532 0.05 . 1 . . . A 39 A C2 . 18503 2 263 . 1 1 39 39 A C8 C 13 139.298 0.05 . 1 . . . A 39 A C8 . 18503 2 264 . 1 1 40 40 G H1 H 1 13.474 0.005 . 1 . . . A 40 G H1 . 18503 2 265 . 1 1 40 40 G H2' H 1 4.094 0.005 . 1 . . . A 40 G H2' . 18503 2 266 . 1 1 40 40 G H8 H 1 7.082 0.005 . 1 . . . A 40 G H8 . 18503 2 267 . 1 1 40 40 G C8 C 13 135.376 0.05 . 1 . . . A 40 G C8 . 18503 2 268 . 1 1 40 40 G N1 N 15 147.949 0.05 . 1 . . . A 40 G N1 . 18503 2 269 . 1 1 41 41 C H1' H 1 5.282 0.005 . 1 . . . A 41 C H1' . 18503 2 270 . 1 1 41 41 C H2' H 1 4.334 0.005 . 1 . . . A 41 C H2' . 18503 2 271 . 1 1 41 41 C H6 H 1 7.253 0.005 . 1 . . . A 41 C H6 . 18503 2 272 . 1 1 41 41 C H41 H 1 8.312 0.005 . 1 . . . A 41 C H41 . 18503 2 273 . 1 1 41 41 C H42 H 1 6.729 0.005 . 1 . . . A 41 C H42 . 18503 2 274 . 1 1 41 41 C C1' C 13 93.659 0.05 . 1 . . . A 41 C C1' . 18503 2 275 . 1 1 41 41 C C6 C 13 140.457 0.05 . 1 . . . A 41 C C6 . 18503 2 276 . 1 1 42 42 U H1' H 1 5.421 0.005 . 1 . . . A 42 U H1' . 18503 2 277 . 1 1 42 42 U H2' H 1 4.174 0.005 . 1 . . . A 42 U H2' . 18503 2 278 . 1 1 42 42 U H6 H 1 7.549 0.005 . 1 . . . A 42 U H6 . 18503 2 279 . 1 1 42 42 U C6 C 13 141.441 0.05 . 1 . . . A 42 U C6 . 18503 2 280 . 1 1 43 43 A H1' H 1 5.772 0.005 . 1 . . . A 43 A H1' . 18503 2 281 . 1 1 43 43 A H2 H 1 6.982 0.005 . 1 . . . A 43 A H2 . 18503 2 282 . 1 1 43 43 A H2' H 1 4.364 0.005 . 1 . . . A 43 A H2' . 18503 2 283 . 1 1 43 43 A H8 H 1 7.978 0.005 . 1 . . . A 43 A H8 . 18503 2 284 . 1 1 43 43 A C2 C 13 153.655 0.05 . 1 . . . A 43 A C2 . 18503 2 285 . 1 1 43 43 A C8 C 13 141.108 0.05 . 1 . . . A 43 A C8 . 18503 2 286 . 1 1 44 44 A H1' H 1 6.013 0.005 . 1 . . . A 44 A H1' . 18503 2 287 . 1 1 44 44 A H2 H 1 8.060 0.005 . 1 . . . A 44 A H2 . 18503 2 288 . 1 1 44 44 A H2' H 1 4.964 0.005 . 1 . . . A 44 A H2' . 18503 2 289 . 1 1 44 44 A H8 H 1 8.325 0.005 . 1 . . . A 44 A H8 . 18503 2 290 . 1 1 44 44 A C2 C 13 154.794 0.05 . 1 . . . A 44 A C2 . 18503 2 291 . 1 1 44 44 A C8 C 13 141.791 0.05 . 1 . . . A 44 A C8 . 18503 2 292 . 1 1 45 45 G H1 H 1 11.173 0.005 . 1 . . . A 45 G H1 . 18503 2 293 . 1 1 45 45 G H1' H 1 5.508 0.005 . 1 . . . A 45 G H1' . 18503 2 294 . 1 1 45 45 G H2' H 1 4.564 0.005 . 1 . . . A 45 G H2' . 18503 2 295 . 1 1 45 45 G H8 H 1 7.820 0.005 . 1 . . . A 45 G H8 . 18503 2 296 . 1 1 45 45 G H21 H 1 6.384 0.005 . 1 . . . A 45 G H21 . 18503 2 297 . 1 1 45 45 G N1 N 15 144.655 0.05 . 1 . . . A 45 G N1 . 18503 2 298 . 1 1 46 46 U H1' H 1 5.442 0.005 . 1 . . . A 46 U H1' . 18503 2 299 . 1 1 46 46 U H2' H 1 4.330 0.005 . 1 . . . A 46 U H2' . 18503 2 300 . 1 1 46 46 U H3 H 1 14.010 0.005 . 1 . . . A 46 U H3 . 18503 2 301 . 1 1 46 46 U H6 H 1 7.726 0.005 . 1 . . . A 46 U H6 . 18503 2 302 . 1 1 46 46 U C6 C 13 141.411 0.05 . 1 . . . A 46 U C6 . 18503 2 303 . 1 1 46 46 U N3 N 15 163.354 0.05 . 1 . . . A 46 U N3 . 18503 2 304 . 1 1 47 47 U H1' H 1 5.640 0.005 . 1 . . . A 47 U H1' . 18503 2 305 . 1 1 47 47 U H2' H 1 4.416 0.005 . 1 . . . A 47 U H2' . 18503 2 306 . 1 1 47 47 U H3 H 1 13.776 0.005 . 1 . . . A 47 U H3 . 18503 2 307 . 1 1 47 47 U H6 H 1 8.063 0.005 . 1 . . . A 47 U H6 . 18503 2 308 . 1 1 47 47 U C6 C 13 142.690 0.05 . 1 . . . A 47 U C6 . 18503 2 309 . 1 1 47 47 U N3 N 15 162.878 0.05 . 1 . . . A 47 U N3 . 18503 2 310 . 1 1 48 48 C H1' H 1 5.509 0.005 . 1 . . . A 48 C H1' . 18503 2 311 . 1 1 48 48 C H2' H 1 4.160 0.005 . 1 . . . A 48 C H2' . 18503 2 312 . 1 1 48 48 C H6 H 1 7.880 0.005 . 1 . . . A 48 C H6 . 18503 2 313 . 1 1 48 48 C H41 H 1 8.305 0.005 . 1 . . . A 48 C H41 . 18503 2 314 . 1 1 48 48 C H42 H 1 6.990 0.005 . 1 . . . A 48 C H42 . 18503 2 315 . 1 1 48 48 C C6 C 13 141.850 0.05 . 1 . . . A 48 C C6 . 18503 2 316 . 1 1 49 49 C H1' H 1 5.639 0.005 . 1 . . . A 49 C H1' . 18503 2 317 . 1 1 49 49 C H2' H 1 3.953 0.005 . 1 . . . A 49 C H2' . 18503 2 318 . 1 1 49 49 C H6 H 1 7.625 0.005 . 1 . . . A 49 C H6 . 18503 2 319 . 1 1 49 49 C H41 H 1 8.361 0.005 . 1 . . . A 49 C H41 . 18503 2 320 . 1 1 49 49 C H42 H 1 6.987 0.005 . 1 . . . A 49 C H42 . 18503 2 321 . 1 1 49 49 C C6 C 13 141.517 0.05 . 1 . . . A 49 C C6 . 18503 2 stop_ save_