data_7405 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7405 _Entry.Title ; Solution structure of the U85 C/D-H/ACA scaRNA 5' terminal hairpin loop ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-30 _Entry.Accession_date 2007-10-01 _Entry.Last_release_date 2008-06-26 _Entry.Original_release_date 2008-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 J. Feigon J. . . 7405 2 C. Theimer C. A. . 7405 3 N. Chim N. . . 7405 4 K. Breece K. A. . 7405 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID loop . 7405 'sheared GA pair' . 7405 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7405 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 117 7405 '15N chemical shifts' 16 7405 '1H chemical shifts' 156 7405 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-26 2007-08-30 original author . 7405 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2QH4 'BMRB Entry Tracking System' 7405 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7405 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17889661 _Citation.Full_citation . _Citation.Title 'Structural and functional characterization of human telomerase RNA processing and cajal body localization signals' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 6 _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 869 _Citation.Page_last 881 _Citation.Year 2007 _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 C. Theimer C. A. . 7405 1 2 B. Jady B. E. . 7405 1 3 N. Chim N. . . 7405 1 4 P. Richard P. . . 7405 1 5 K. Breece K. E. . 7405 1 6 T. Kiss T. . . 7405 1 7 J. Feigon J. . . 7405 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7405 _Assembly.ID 1 _Assembly.Name 'Human U85 C/D-H/ACA scaRNA' _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 ; _struct_conn.id _struct_conn.conn_type_id _struct_conn.ndb_PDB_id _struct_conn.ndb_ptnr1_mod_name _struct_conn.ndb_ptnr1_replaced_atom _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.ndb_ptnr1_label_alt_loc _struct_conn.ndb_ptnr1_label_ins_code _struct_conn.ndb_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.ndb_ptnr2_label_alt_loc _struct_conn.ndb_ptnr2_label_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.ndb_ptnr3_label_atom_id _struct_conn.ndb_ptnr3_label_seq_id _struct_conn.ndb_ptnr3_label_comp_id _struct_conn.ndb_ptnr3_label_asym_id _struct_conn.ndb_ptnr3_label_alt_loc _struct_conn.ndb_ptnr3_label_ins_code _struct_conn.details mismat1 mismat ? ? ? A G 7 ? ? ? ? 1_555 A A 12 ? ? ? A G 7 A A 12 1_555 ? ? ? ? ? ? ? mismat2 mismat ? ? ? A G 9 ? ? ? ? 1_555 A U 10 ? ? ? A G 9 A U 10 1_555 ? ? ? ? ? ? ? hydrog1 hydrog ? ? ? A G 1 N1 ? ? ? 1_555 A C 18 N3 ? ? A G 1 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog2 hydrog ? ? ? A G 1 N2 ? ? ? 1_555 A C 18 O2 ? ? A G 1 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog3 hydrog ? ? ? A G 1 O6 ? ? ? 1_555 A C 18 N4 ? ? A G 1 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog4 hydrog ? ? ? A G 2 N1 ? ? ? 1_555 A C 17 N3 ? ? A G 2 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog5 hydrog ? ? ? A G 2 N2 ? ? ? 1_555 A C 17 O2 ? ? A G 2 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog6 hydrog ? ? ? A G 2 O6 ? ? ? 1_555 A C 17 N4 ? ? A G 2 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog7 hydrog ? ? ? A C 3 N3 ? ? ? 1_555 A G 16 N1 ? ? A C 3 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog8 hydrog ? ? ? A C 3 N4 ? ? ? 1_555 A G 16 O6 ? ? A C 3 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog9 hydrog ? ? ? A C 3 O2 ? ? ? 1_555 A G 16 N2 ? ? A C 3 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog10 hydrog ? ? ? A A 4 N1 ? ? ? 1_555 A U 15 N3 ? ? A A 4 A U 15 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog11 hydrog ? ? ? A A 4 N6 ? ? ? 1_555 A U 15 O4 ? ? A A 4 A U 15 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog12 hydrog ? ? ? A C 5 N3 ? ? ? 1_555 A G 14 N1 ? ? A C 5 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog13 hydrog ? ? ? A C 5 N4 ? ? ? 1_555 A G 14 O6 ? ? A C 5 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog14 hydrog ? ? ? A C 5 O2 ? ? ? 1_555 A G 14 N2 ? ? A C 5 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog15 hydrog ? ? ? A A 6 N1 ? ? ? 1_555 A U 13 N3 ? ? A A 6 A U 13 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog16 hydrog ? ? ? A A 6 N6 ? ? ? 1_555 A U 13 O4 ? ? A A 6 A U 13 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog17 hydrog ? ? ? A G 7 N2 ? ? ? 1_555 A A 12 N7 ? ? A G 7 A A 12 1_555 ? ? ? ? ? ? TYPE_11_PAIR hydrog18 hydrog ? ? ? A G 7 N3 ? ? ? 1_555 A A 12 N6 ? ? A G 7 A A 12 1_555 ? ? ? ? ? ? TYPE_11_PAIR hydrog19 hydrog ? ? ? A G 9 N1 ? ? ? 1_555 A U 10 O4 ? ? A G 9 A U 10 1_555 ? ? ? ? ? ? 'G-U MISPAIR' ; _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 'Human U85 C/D-H/ACA scaRNA' 1 $Human_U85_C-D-H_ACA_scaRNA A . yes native no no . . . 7405 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_U85_C-D-H_ACA_scaRNA _Entity.Sf_category entity _Entity.Sf_framecode Human_U85_C-D-H_ACA_scaRNA _Entity.Entry_ID 7405 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Human_U85_C-D-H_ACA_scaRNA _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 GGCACAGAGUUAUGUGCC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment "U85 5' terminal hairpin loop" _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 7405 1 2 . G . 7405 1 3 . C . 7405 1 4 . A . 7405 1 5 . C . 7405 1 6 . A . 7405 1 7 . G . 7405 1 8 . A . 7405 1 9 . G . 7405 1 10 . U . 7405 1 11 . U . 7405 1 12 . A . 7405 1 13 . U . 7405 1 14 . G . 7405 1 15 . U . 7405 1 16 . G . 7405 1 17 . C . 7405 1 18 . C . 7405 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 7405 1 . G 2 2 7405 1 . C 3 3 7405 1 . A 4 4 7405 1 . C 5 5 7405 1 . A 6 6 7405 1 . G 7 7 7405 1 . A 8 8 7405 1 . G 9 9 7405 1 . U 10 10 7405 1 . U 11 11 7405 1 . A 12 12 7405 1 . U 13 13 7405 1 . G 14 14 7405 1 . U 15 15 7405 1 . G 16 16 7405 1 . C 17 17 7405 1 . C 18 18 7405 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 7405 _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 $Human_U85_C-D-H_ACA_scaRNA . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7405 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 7405 _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 $Human_U85_C-D-H_ACA_scaRNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'RNA is synthesized using in vitro transcription with T7 RNA polymerase and a partially double-stranded DNA template' . . 7405 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7405 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM unlabeled RNA, 10 mM sodium phosphate buffer, pH 6.3, 100 mM KCl, 50 uM EDTA, 0.2% sodium azide; 95% H2O, 5% D2O or 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O or 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 'Human U85 C/D-H/ACA scaRNA' 'natural abundance' . . 1 $Human_U85_C-D-H_ACA_scaRNA . . 1 . . mM . . . . 7405 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 7405 1 3 KCl . . . . . . . 100 . . mM . . . . 7405 1 4 EDTA . . . . . . . 50 . . uM . . . . 7405 1 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 7405 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7405 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM 13C, 15N labeled RNA, 10 mM sodium phosphate buffer, pH 6.3, 100 mM KCl, 50 uM EDTA, 0.2% sodium azide; 95% H2O, 5% D2O or 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O or 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 'Human U85 C/D-H/ACA scaRNA' '[U-13C; U-15N]' . . 1 $Human_U85_C-D-H_ACA_scaRNA . . 1 . . mM . . . . 7405 2 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 7405 2 3 KCl . . . . . . . 100 . . mM . . . . 7405 2 4 EDTA . . . . . . . 50 . . uM . . . . 7405 2 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 7405 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7405 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM 13C, 15N G-only labeled RNA, 10 mM sodium phosphate buffer, pH 6.3, 100 mM KCl, 50 uM EDTA, 0.2% sodium azide; 95% H2O, 5% D2O or 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O or 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 'Human U85 C/D-H/ACA scaRNA' '[U-13C; U-15N G-only]' . . 1 $Human_U85_C-D-H_ACA_scaRNA . . 1 . . mM . . . . 7405 3 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 7405 3 3 KCl . . . . . . . 100 . . mM . . . . 7405 3 4 EDTA . . . . . . . 50 . . uM . . . . 7405 3 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 7405 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7405 _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' 100 . mM 7405 1 pH 6.3 . pH 7405 1 pressure 1 . atm 7405 1 temperature 283 . K 7405 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7405 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7405 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7405 1 stop_ save_ save_XWINNMR2 _Software.Sf_category software _Software.Sf_framecode XWINNMR2 _Software.Entry_ID 7405 _Software.ID 2 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7405 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7405 2 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 7405 _Software.ID 3 _Software.Name AURELIA _Software.Version 3.108 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 7405 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7405 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7405 _Software.ID 4 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 7405 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7405 4 stop_ save_ save_X-PLOR2 _Software.Sf_category software _Software.Sf_framecode X-PLOR2 _Software.Entry_ID 7405 _Software.ID 5 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 7405 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7405 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7405 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7405 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 7405 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 7405 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 7405 1 2 spectrometer_2 Bruker DRX . 600 . . . 7405 1 3 spectrometer_3 Bruker AVANCE . 800 . . . 7405 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 7405 _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 NOESY (11echo and watergate)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 3 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 4 'Natural abundance 2D 13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 5 '2D 15N-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 6 '2D 15N-CPMG-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 7 '2D JNN-HNN-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 8 '2D 13C-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 9 '2D HCCH-COCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 11 '2D 31P spin echo difference HCCH/HSQC/HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 12 '2D CT-CE-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7405 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7405 _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 0.0 . indirect . . . . . . . . . . 7405 1 H 1 H2O protons . . . . ppm . internal direct . . . . . . . . . . 7405 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect . . . . . . . . . . 7405 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7405 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY (11echo and watergate)' . . . 7405 1 2 '2D NOESY' . . . 7405 1 3 '2D TOCSY' . . . 7405 1 4 'Natural abundance 2D 13C HSQC' . . . 7405 1 5 '2D 15N-HMQC' . . . 7405 1 6 '2D 15N-CPMG-NOESY' . . . 7405 1 7 '2D JNN-HNN-COSY' . . . 7405 1 8 '2D 13C-HSQC' . . . 7405 1 9 '2D HCCH-COCSY' . . . 7405 1 10 '3D HCCH-TOCSY' . . . 7405 1 11 '2D 31P spin echo difference HCCH/HSQC/HMQC' . . . 7405 1 12 '2D CT-CE-HSQC' . . . 7405 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 12.925 . . 1 . . . . 1 G H1 . 7405 1 2 . 1 1 1 1 G H1' H 1 5.741 . . 1 . . . . 1 G H1' . 7405 1 3 . 1 1 1 1 G H2' H 1 4.870 . . 1 . . . . 1 G H2' . 7405 1 4 . 1 1 1 1 G H3' H 1 4.661 . . 1 . . . . 1 G H3' . 7405 1 5 . 1 1 1 1 G H4' H 1 4.492 . . 1 . . . . 1 G H4' . 7405 1 6 . 1 1 1 1 G H5' H 1 4.211 . . 2 . . . . 1 G H5' . 7405 1 7 . 1 1 1 1 G H5'' H 1 4.349 . . 2 . . . . 1 G H5'' . 7405 1 8 . 1 1 1 1 G H8 H 1 8.063 . . 1 . . . . 1 G H8 . 7405 1 9 . 1 1 1 1 G C1' C 13 89.02 . . 1 . . . . 1 G C1' . 7405 1 10 . 1 1 1 1 G C2' C 13 72.32 . . 1 . . . . 1 G C2' . 7405 1 11 . 1 1 1 1 G C3' C 13 72.17 . . 1 . . . . 1 G C3' . 7405 1 12 . 1 1 1 1 G C4' C 13 81.00 . . 1 . . . . 1 G C4' . 7405 1 13 . 1 1 1 1 G C5' C 13 64.87 . . 1 . . . . 1 G C5' . 7405 1 14 . 1 1 1 1 G C8 C 13 136.73 . . 1 . . . . 1 G C8 . 7405 1 15 . 1 1 1 1 G N1 N 15 146.82 . . 1 . . . . 1 G N1 . 7405 1 16 . 1 1 2 2 G H1 H 1 13.350 . . 1 . . . . 2 G H1 . 7405 1 17 . 1 1 2 2 G H1' H 1 5.831 . . 1 . . . . 2 G H1' . 7405 1 18 . 1 1 2 2 G H2' H 1 4.461 . . 1 . . . . 2 G H2' . 7405 1 19 . 1 1 2 2 G H3' H 1 4.589 . . 1 . . . . 2 G H3' . 7405 1 20 . 1 1 2 2 G H4' H 1 4.377 . . 1 . . . . 2 G H4' . 7405 1 21 . 1 1 2 2 G H5' H 1 4.037 . . 2 . . . . 2 G H5' . 7405 1 22 . 1 1 2 2 G H5'' H 1 4.402 . . 2 . . . . 2 G H5'' . 7405 1 23 . 1 1 2 2 G H8 H 1 7.587 . . 1 . . . . 2 G H8 . 7405 1 24 . 1 1 2 2 G C1' C 13 90.43 . . 1 . . . . 2 G C1' . 7405 1 25 . 1 1 2 2 G C2' C 13 70.51 . . 1 . . . . 2 G C2' . 7405 1 26 . 1 1 2 2 G C3' C 13 73.32 . . 1 . . . . 2 G C3' . 7405 1 27 . 1 1 2 2 G C4' C 13 79.44 . . 1 . . . . 2 G C4' . 7405 1 28 . 1 1 2 2 G C5' C 13 63.09 . . 1 . . . . 2 G C5' . 7405 1 29 . 1 1 2 2 G C8 C 13 134.51 . . 1 . . . . 2 G C8 . 7405 1 30 . 1 1 2 2 G N1 N 15 147.94 . . 1 . . . . 2 G N1 . 7405 1 31 . 1 1 3 3 C H1' H 1 5.434 . . 1 . . . . 3 C H1' . 7405 1 32 . 1 1 3 3 C H2' H 1 4.488 . . 1 . . . . 3 C H2' . 7405 1 33 . 1 1 3 3 C H3' H 1 4.422 . . 1 . . . . 3 C H3' . 7405 1 34 . 1 1 3 3 C H4' H 1 4.369 . . 1 . . . . 3 C H4' . 7405 1 35 . 1 1 3 3 C H5 H 1 5.210 . . 1 . . . . 3 C H5 . 7405 1 36 . 1 1 3 3 C H5' H 1 4.040 . . 2 . . . . 3 C H5' . 7405 1 37 . 1 1 3 3 C H5'' H 1 4.505 . . 2 . . . . 3 C H5'' . 7405 1 38 . 1 1 3 3 C H6 H 1 7.649 . . 1 . . . . 3 C H6 . 7405 1 39 . 1 1 3 3 C H41 H 1 6.915 . . 2 . . . . 3 C H41 . 7405 1 40 . 1 1 3 3 C H42 H 1 8.550 . . 2 . . . . 3 C H42 . 7405 1 41 . 1 1 3 3 C C1' C 13 90.82 . . 1 . . . . 3 C C1' . 7405 1 42 . 1 1 3 3 C C2' C 13 69.51 . . 1 . . . . 3 C C2' . 7405 1 43 . 1 1 3 3 C C3' C 13 72.83 . . 1 . . . . 3 C C3' . 7405 1 44 . 1 1 3 3 C C4' C 13 79.57 . . 1 . . . . 3 C C4' . 7405 1 45 . 1 1 3 3 C C5 C 13 94.99 . . 1 . . . . 3 C C5 . 7405 1 46 . 1 1 3 3 C C5' C 13 61.09 . . 1 . . . . 3 C C5' . 7405 1 47 . 1 1 3 3 C C6 C 13 138.28 . . 1 . . . . 3 C C6 . 7405 1 48 . 1 1 3 3 C N4 N 15 97.96 . . 1 . . . . 3 C N4 . 7405 1 49 . 1 1 4 4 A H1' H 1 5.848 . . 1 . . . . 4 A H1' . 7405 1 50 . 1 1 4 4 A H2 H 1 7.226 . . 1 . . . . 4 A H2 . 7405 1 51 . 1 1 4 4 A H2' H 1 4.392 . . 1 . . . . 4 A H2' . 7405 1 52 . 1 1 4 4 A H3' H 1 4.608 . . 1 . . . . 4 A H3' . 7405 1 53 . 1 1 4 4 A H4' H 1 4.410 . . 1 . . . . 4 A H4' . 7405 1 54 . 1 1 4 4 A H5' H 1 4.074 . . 2 . . . . 4 A H5' . 7405 1 55 . 1 1 4 4 A H5'' H 1 4.456 . . 2 . . . . 4 A H5'' . 7405 1 56 . 1 1 4 4 A H8 H 1 7.964 . . 1 . . . . 4 A H8 . 7405 1 57 . 1 1 4 4 A C1' C 13 90.58 . . 1 . . . . 4 A C1' . 7405 1 58 . 1 1 4 4 A C2 C 13 150.76 . . 1 . . . . 4 A C2 . 7405 1 59 . 1 1 4 4 A C2' C 13 73.17 . . 1 . . . . 4 A C2' . 7405 1 60 . 1 1 4 4 A C3' C 13 69.94 . . 1 . . . . 4 A C3' . 7405 1 61 . 1 1 4 4 A C4' C 13 79.33 . . 1 . . . . 4 A C4' . 7405 1 62 . 1 1 4 4 A C5' C 13 62.41 . . 1 . . . . 4 A C5' . 7405 1 63 . 1 1 4 4 A C8 C 13 136.91 . . 1 . . . . 4 A C8 . 7405 1 64 . 1 1 4 4 A N6 N 15 83.92 . . 1 . . . . 4 A N6 . 7405 1 65 . 1 1 5 5 C H1' H 1 5.295 . . 1 . . . . 5 C H1' . 7405 1 66 . 1 1 5 5 C H2' H 1 4.296 . . 1 . . . . 5 C H2' . 7405 1 67 . 1 1 5 5 C H3' H 1 4.382 . . 1 . . . . 5 C H3' . 7405 1 68 . 1 1 5 5 C H4' H 1 4.296 . . 1 . . . . 5 C H4' . 7405 1 69 . 1 1 5 5 C H5 H 1 5.107 . . 1 . . . . 5 C H5 . 7405 1 70 . 1 1 5 5 C H5' H 1 3.989 . . 2 . . . . 5 C H5' . 7405 1 71 . 1 1 5 5 C H5'' H 1 4.448 . . 2 . . . . 5 C H5'' . 7405 1 72 . 1 1 5 5 C H6 H 1 7.420 . . 1 . . . . 5 C H6 . 7405 1 73 . 1 1 5 5 C H41 H 1 6.939 . . 2 . . . . 5 C H41 . 7405 1 74 . 1 1 5 5 C H42 H 1 8.149 . . 2 . . . . 5 C H42 . 7405 1 75 . 1 1 5 5 C C1' C 13 90.88 . . 1 . . . . 5 C C1' . 7405 1 76 . 1 1 5 5 C C2' C 13 73.08 . . 1 . . . . 5 C C2' . 7405 1 77 . 1 1 5 5 C C3' C 13 69.66 . . 1 . . . . 5 C C3' . 7405 1 78 . 1 1 5 5 C C4' C 13 79.16 . . 1 . . . . 5 C C4' . 7405 1 79 . 1 1 5 5 C C5 C 13 94.93 . . 1 . . . . 5 C C5 . 7405 1 80 . 1 1 5 5 C C5' C 13 62.02 . . 1 . . . . 5 C C5' . 7405 1 81 . 1 1 5 5 C C6 C 13 137.88 . . 1 . . . . 5 C C6 . 7405 1 82 . 1 1 5 5 C N4 N 15 97.97 . . 1 . . . . 5 C N4 . 7405 1 83 . 1 1 6 6 A H1' H 1 5.824 . . 1 . . . . 6 A H1' . 7405 1 84 . 1 1 6 6 A H2 H 1 7.145 . . 1 . . . . 6 A H2 . 7405 1 85 . 1 1 6 6 A H2' H 1 4.601 . . 1 . . . . 6 A H2' . 7405 1 86 . 1 1 6 6 A H3' H 1 4.469 . . 1 . . . . 6 A H3' . 7405 1 87 . 1 1 6 6 A H4' H 1 4.372 . . 1 . . . . 6 A H4' . 7405 1 88 . 1 1 6 6 A H5' H 1 4.034 . . 2 . . . . 6 A H5' . 7405 1 89 . 1 1 6 6 A H5'' H 1 4.404 . . 2 . . . . 6 A H5'' . 7405 1 90 . 1 1 6 6 A H8 H 1 7.760 . . 1 . . . . 6 A H8 . 7405 1 91 . 1 1 6 6 A C1' C 13 90.20 . . 1 . . . . 6 A C1' . 7405 1 92 . 1 1 6 6 A C2 C 13 150.45 . . 1 . . . . 6 A C2 . 7405 1 93 . 1 1 6 6 A C2' C 13 73.33 . . 1 . . . . 6 A C2' . 7405 1 94 . 1 1 6 6 A C3' C 13 70.50 . . 1 . . . . 6 A C3' . 7405 1 95 . 1 1 6 6 A C4' C 13 79.44 . . 1 . . . . 6 A C4' . 7405 1 96 . 1 1 6 6 A C5' C 13 63.09 . . 1 . . . . 6 A C5' . 7405 1 97 . 1 1 6 6 A C8 C 13 137.77 . . 1 . . . . 6 A C8 . 7405 1 98 . 1 1 6 6 A N6 N 15 81.81 . . 1 . . . . 6 A N6 . 7405 1 99 . 1 1 7 7 G H1 H 1 10.202 . . 1 . . . . 7 G H1 . 7405 1 100 . 1 1 7 7 G H1' H 1 4.980 . . 1 . . . . 7 G H1' . 7405 1 101 . 1 1 7 7 G H2' H 1 4.308 . . 1 . . . . 7 G H2' . 7405 1 102 . 1 1 7 7 G H3' H 1 4.281 . . 1 . . . . 7 G H3' . 7405 1 103 . 1 1 7 7 G H4' H 1 4.310 . . 1 . . . . 7 G H4' . 7405 1 104 . 1 1 7 7 G H5' H 1 3.939 . . 2 . . . . 7 G H5' . 7405 1 105 . 1 1 7 7 G H5'' H 1 4.252 . . 2 . . . . 7 G H5'' . 7405 1 106 . 1 1 7 7 G H8 H 1 6.942 . . 1 . . . . 7 G H8 . 7405 1 107 . 1 1 7 7 G H21 H 1 6.342 . . 2 . . . . 7 G H21 . 7405 1 108 . 1 1 7 7 G C1' C 13 90.24 . . 1 . . . . 7 G C1' . 7405 1 109 . 1 1 7 7 G C2' C 13 72.18 . . 1 . . . . 7 G C2' . 7405 1 110 . 1 1 7 7 G C3' C 13 71.20 . . 1 . . . . 7 G C3' . 7405 1 111 . 1 1 7 7 G C4' C 13 80.17 . . 1 . . . . 7 G C4' . 7405 1 112 . 1 1 7 7 G C5' C 13 63.74 . . 1 . . . . 7 G C5' . 7405 1 113 . 1 1 7 7 G C8 C 13 134.17 . . 1 . . . . 7 G C8 . 7405 1 114 . 1 1 7 7 G N1 N 15 144.68 . . 1 . . . . 7 G N1 . 7405 1 115 . 1 1 7 7 G N2 N 15 72.50 . . 1 . . . . 7 G N2 . 7405 1 116 . 1 1 8 8 A H1' H 1 5.243 . . 1 . . . . 8 A H1' . 7405 1 117 . 1 1 8 8 A H2 H 1 7.787 . . 1 . . . . 8 A H2 . 7405 1 118 . 1 1 8 8 A H2' H 1 4.136 . . 1 . . . . 8 A H2' . 7405 1 119 . 1 1 8 8 A H3' H 1 4.469 . . 1 . . . . 8 A H3' . 7405 1 120 . 1 1 8 8 A H4' H 1 3.996 . . 1 . . . . 8 A H4' . 7405 1 121 . 1 1 8 8 A H5' H 1 3.917 . . 2 . . . . 8 A H5' . 7405 1 122 . 1 1 8 8 A H5'' H 1 4.266 . . 2 . . . . 8 A H5'' . 7405 1 123 . 1 1 8 8 A H8 H 1 7.646 . . 1 . . . . 8 A H8 . 7405 1 124 . 1 1 8 8 A C1' C 13 90.19 . . 1 . . . . 8 A C1' . 7405 1 125 . 1 1 8 8 A C2 C 13 153.84 . . 1 . . . . 8 A C2 . 7405 1 126 . 1 1 8 8 A C2' C 13 73.19 . . 1 . . . . 8 A C2' . 7405 1 127 . 1 1 8 8 A C3' C 13 70.69 . . 1 . . . . 8 A C3' . 7405 1 128 . 1 1 8 8 A C4' C 13 80.52 . . 1 . . . . 8 A C4' . 7405 1 129 . 1 1 8 8 A C5' C 13 62.65 . . 1 . . . . 8 A C5' . 7405 1 130 . 1 1 8 8 A C8 C 13 137.24 . . 1 . . . . 8 A C8 . 7405 1 131 . 1 1 8 8 A N6 N 15 79.80 . . 1 . . . . 8 A N6 . 7405 1 132 . 1 1 9 9 G H1' H 1 5.410 . . 1 . . . . 9 G H1' . 7405 1 133 . 1 1 9 9 G H2' H 1 4.698 . . 1 . . . . 9 G H2' . 7405 1 134 . 1 1 9 9 G H3' H 1 4.544 . . 1 . . . . 9 G H3' . 7405 1 135 . 1 1 9 9 G H4' H 1 4.245 . . 1 . . . . 9 G H4' . 7405 1 136 . 1 1 9 9 G H5' H 1 4.150 . . 2 . . . . 9 G H5' . 7405 1 137 . 1 1 9 9 G H5'' H 1 3.833 . . 2 . . . . 9 G H5'' . 7405 1 138 . 1 1 9 9 G H8 H 1 7.451 . . 1 . . . . 9 G H8 . 7405 1 139 . 1 1 9 9 G C1' C 13 87.45 . . 1 . . . . 9 G C1' . 7405 1 140 . 1 1 9 9 G C2' C 13 70.69 . . 1 . . . . 9 G C2' . 7405 1 141 . 1 1 9 9 G C3' C 13 75.05 . . 1 . . . . 9 G C3' . 7405 1 142 . 1 1 9 9 G C4' C 13 82.45 . . 1 . . . . 9 G C4' . 7405 1 143 . 1 1 9 9 G C5' C 13 64.08 . . 1 . . . . 9 G C5' . 7405 1 144 . 1 1 9 9 G C8 C 13 138.71 . . 1 . . . . 9 G C8 . 7405 1 145 . 1 1 10 10 U H1' H 1 5.875 . . 1 . . . . 10 U H1' . 7405 1 146 . 1 1 10 10 U H2' H 1 4.274 . . 1 . . . . 10 U H2' . 7405 1 147 . 1 1 10 10 U H3' H 1 4.515 . . 1 . . . . 10 U H3' . 7405 1 148 . 1 1 10 10 U H4' H 1 4.361 . . 1 . . . . 10 U H4' . 7405 1 149 . 1 1 10 10 U H5 H 1 5.772 . . 1 . . . . 10 U H5 . 7405 1 150 . 1 1 10 10 U H5' H 1 3.984 . . 2 . . . . 10 U H5' . 7405 1 151 . 1 1 10 10 U H5'' H 1 4.037 . . 2 . . . . 10 U H5'' . 7405 1 152 . 1 1 10 10 U H6 H 1 7.701 . . 1 . . . . 10 U H6 . 7405 1 153 . 1 1 10 10 U C1' C 13 87.89 . . 1 . . . . 10 U C1' . 7405 1 154 . 1 1 10 10 U C2' C 13 73.09 . . 1 . . . . 10 U C2' . 7405 1 155 . 1 1 10 10 U C3' C 13 74.62 . . 1 . . . . 10 U C3' . 7405 1 156 . 1 1 10 10 U C4' C 13 82.49 . . 1 . . . . 10 U C4' . 7405 1 157 . 1 1 10 10 U C5 C 13 102.30 . . 1 . . . . 10 U C5 . 7405 1 158 . 1 1 10 10 U C5' C 13 65.22 . . 1 . . . . 10 U C5' . 7405 1 159 . 1 1 11 11 U H1' H 1 5.782 . . 1 . . . . 11 U H1' . 7405 1 160 . 1 1 11 11 U H2' H 1 4.308 . . 1 . . . . 11 U H2' . 7405 1 161 . 1 1 11 11 U H3 H 1 10.569 . . 1 . . . . 11 U H3 . 7405 1 162 . 1 1 11 11 U H3' H 1 4.574 . . 1 . . . . 11 U H3' . 7405 1 163 . 1 1 11 11 U H4' H 1 4.353 . . 1 . . . . 11 U H4' . 7405 1 164 . 1 1 11 11 U H5 H 1 5.408 . . 1 . . . . 11 U H5 . 7405 1 165 . 1 1 11 11 U H5' H 1 4.072 . . 2 . . . . 11 U H5' . 7405 1 166 . 1 1 11 11 U H5'' H 1 4.147 . . 2 . . . . 11 U H5'' . 7405 1 167 . 1 1 11 11 U H6 H 1 7.448 . . 1 . . . . 11 U H6 . 7405 1 168 . 1 1 11 11 U C1' C 13 89.51 . . 1 . . . . 11 U C1' . 7405 1 169 . 1 1 11 11 U C2' C 13 73.15 . . 1 . . . . 11 U C2' . 7405 1 170 . 1 1 11 11 U C3' C 13 73.52 . . 1 . . . . 11 U C3' . 7405 1 171 . 1 1 11 11 U C4' C 13 81.861 . . 1 . . . . 11 U C4' . 7405 1 172 . 1 1 11 11 U C5 C 13 102.78 . . 1 . . . . 11 U C5 . 7405 1 173 . 1 1 11 11 U C5' C 13 65.19 . . 1 . . . . 11 U C5' . 7405 1 174 . 1 1 11 11 U C6 C 13 136.70 . . 1 . . . . 11 U C6 . 7405 1 175 . 1 1 12 12 A H1' H 1 6.098 . . 1 . . . . 12 A H1' . 7405 1 176 . 1 1 12 12 A H2 H 1 8.254 . . 1 . . . . 12 A H2 . 7405 1 177 . 1 1 12 12 A H2' H 1 4.779 . . 1 . . . . 12 A H2' . 7405 1 178 . 1 1 12 12 A H3' H 1 4.748 . . 1 . . . . 12 A H3' . 7405 1 179 . 1 1 12 12 A H4' H 1 4.518 . . 1 . . . . 12 A H4' . 7405 1 180 . 1 1 12 12 A H5' H 1 4.177 . . 2 . . . . 12 A H5' . 7405 1 181 . 1 1 12 12 A H5'' H 1 4.246 . . 2 . . . . 12 A H5'' . 7405 1 182 . 1 1 12 12 A H8 H 1 8.343 . . 1 . . . . 12 A H8 . 7405 1 183 . 1 1 12 12 A H61 H 1 6.503 . . 1 . . . . 12 A H61 . 7405 1 184 . 1 1 12 12 A C1' C 13 87.89 . . 1 . . . . 12 A C1' . 7405 1 185 . 1 1 12 12 A C2 C 13 152.17 . . 1 . . . . 12 A C2 . 7405 1 186 . 1 1 12 12 A C2' C 13 74.57 . . 1 . . . . 12 A C2' . 7405 1 187 . 1 1 12 12 A C3' C 13 74.01 . . 1 . . . . 12 A C3' . 7405 1 188 . 1 1 12 12 A C4' C 13 81.51 . . 1 . . . . 12 A C4' . 7405 1 189 . 1 1 12 12 A C5' C 13 65.14 . . 1 . . . . 12 A C5' . 7405 1 190 . 1 1 12 12 A C8 C 13 139.64 . . 1 . . . . 12 A C8 . 7405 1 191 . 1 1 12 12 A N6 N 15 80.41 . . 1 . . . . 12 A N6 . 7405 1 192 . 1 1 13 13 U H1' H 1 5.458 . . 1 . . . . 13 U H1' . 7405 1 193 . 1 1 13 13 U H2' H 1 4.577 . . 1 . . . . 13 U H2' . 7405 1 194 . 1 1 13 13 U H3 H 1 13.576 . . 1 . . . . 13 U H3 . 7405 1 195 . 1 1 13 13 U H3' H 1 4.423 . . 1 . . . . 13 U H3' . 7405 1 196 . 1 1 13 13 U H4' H 1 4.424 . . 1 . . . . 13 U H4' . 7405 1 197 . 1 1 13 13 U H5 H 1 5.805 . . 1 . . . . 13 U H5 . 7405 1 198 . 1 1 13 13 U H5' H 1 4.236 . . 2 . . . . 13 U H5' . 7405 1 199 . 1 1 13 13 U H5'' H 1 4.268 . . 2 . . . . 13 U H5'' . 7405 1 200 . 1 1 13 13 U H6 H 1 7.866 . . 1 . . . . 13 U H6 . 7405 1 201 . 1 1 13 13 U C1' C 13 90.32 . . 1 . . . . 13 U C1' . 7405 1 202 . 1 1 13 13 U C2' C 13 72.44 . . 1 . . . . 13 U C2' . 7405 1 203 . 1 1 13 13 U C3' C 13 71.71 . . 1 . . . . 13 U C3' . 7405 1 204 . 1 1 13 13 U C4' C 13 80.66 . . 1 . . . . 13 U C4' . 7405 1 205 . 1 1 13 13 U C5 C 13 102.87 . . 1 . . . . 13 U C5 . 7405 1 206 . 1 1 13 13 U C5' C 13 65.23 . . 1 . . . . 13 U C5' . 7405 1 207 . 1 1 13 13 U C6 C 13 140.61 . . 1 . . . . 13 U C6 . 7405 1 208 . 1 1 13 13 U N3 N 15 162.47 . . 1 . . . . 13 U N3 . 7405 1 209 . 1 1 14 14 G H1 H 1 12.341 . . 1 . . . . 14 G H1 . 7405 1 210 . 1 1 14 14 G H1' H 1 5.757 . . 1 . . . . 14 G H1' . 7405 1 211 . 1 1 14 14 G H2' H 1 4.391 . . 1 . . . . 14 G H2' . 7405 1 212 . 1 1 14 14 G H3' H 1 4.516 . . 1 . . . . 14 G H3' . 7405 1 213 . 1 1 14 14 G H4' H 1 4.424 . . 1 . . . . 14 G H4' . 7405 1 214 . 1 1 14 14 G H5' H 1 4.107 . . 2 . . . . 14 G H5' . 7405 1 215 . 1 1 14 14 G H5'' H 1 4.426 . . 2 . . . . 14 G H5'' . 7405 1 216 . 1 1 14 14 G H8 H 1 7.733 . . 1 . . . . 14 G H8 . 7405 1 217 . 1 1 14 14 G C1' C 13 90.44 . . 1 . . . . 14 G C1' . 7405 1 218 . 1 1 14 14 G C2' C 13 72.84 . . 1 . . . . 14 G C2' . 7405 1 219 . 1 1 14 14 G C3' C 13 70.35 . . 1 . . . . 14 G C3' . 7405 1 220 . 1 1 14 14 G C4' C 13 79.701 . . 1 . . . . 14 G C4' . 7405 1 221 . 1 1 14 14 G C5' C 13 63.257 . . 1 . . . . 14 G C5' . 7405 1 222 . 1 1 14 14 G N1 N 15 146.50 . . 1 . . . . 14 G N1 . 7405 1 223 . 1 1 15 15 U H1' H 1 5.426 . . 1 . . . . 15 U H1' . 7405 1 224 . 1 1 15 15 U H2' H 1 4.689 . . 1 . . . . 15 U H2' . 7405 1 225 . 1 1 15 15 U H3 H 1 13.646 . . 1 . . . . 15 U H3 . 7405 1 226 . 1 1 15 15 U H3' H 1 4.544 . . 1 . . . . 15 U H3' . 7405 1 227 . 1 1 15 15 U H4' H 1 4.235 . . 1 . . . . 15 U H4' . 7405 1 228 . 1 1 15 15 U H5 H 1 5.025 . . 1 . . . . 15 U H5 . 7405 1 229 . 1 1 15 15 U H5' H 1 3.884 . . 2 . . . . 15 U H5' . 7405 1 230 . 1 1 15 15 U H5'' H 1 4.136 . . 2 . . . . 15 U H5'' . 7405 1 231 . 1 1 15 15 U H6 H 1 7.702 . . 1 . . . . 15 U H6 . 7405 1 232 . 1 1 15 15 U C1' C 13 87.48 . . 1 . . . . 15 U C1' . 7405 1 233 . 1 1 15 15 U C2' C 13 71.319 . . 1 . . . . 15 U C2' . 7405 1 234 . 1 1 15 15 U C3' C 13 75.60 . . 1 . . . . 15 U C3' . 7405 1 235 . 1 1 15 15 U C4' C 13 82.05 . . 1 . . . . 15 U C4' . 7405 1 236 . 1 1 15 15 U C5 C 13 100.70 . . 1 . . . . 15 U C5 . 7405 1 237 . 1 1 15 15 U C5' C 13 64.83 . . 1 . . . . 15 U C5' . 7405 1 238 . 1 1 15 15 U C6 C 13 138.78 . . 1 . . . . 15 U C6 . 7405 1 239 . 1 1 15 15 U N3 N 15 161.61 . . 1 . . . . 15 U N3 . 7405 1 240 . 1 1 16 16 G H1 H 1 12.630 . . 1 . . . . 16 G H1 . 7405 1 241 . 1 1 16 16 G H1' H 1 5.695 . . 1 . . . . 16 G H1' . 7405 1 242 . 1 1 16 16 G H2' H 1 4.382 . . 1 . . . . 16 G H2' . 7405 1 243 . 1 1 16 16 G H3' H 1 4.491 . . 1 . . . . 16 G H3' . 7405 1 244 . 1 1 16 16 G H4' H 1 4.392 . . 1 . . . . 16 G H4' . 7405 1 245 . 1 1 16 16 G H5' H 1 4.049 . . 2 . . . . 16 G H5' . 7405 1 246 . 1 1 16 16 G H5'' H 1 4.425 . . 2 . . . . 16 G H5'' . 7405 1 247 . 1 1 16 16 G H8 H 1 7.604 . . 1 . . . . 16 G H8 . 7405 1 248 . 1 1 16 16 G C1' C 13 90.19 . . 1 . . . . 16 G C1' . 7405 1 249 . 1 1 16 16 G C2' C 13 72.91 . . 1 . . . . 16 G C2' . 7405 1 250 . 1 1 16 16 G C3' C 13 70.26 . . 1 . . . . 16 G C3' . 7405 1 251 . 1 1 16 16 G C4' C 13 79.30 . . 1 . . . . 16 G C4' . 7405 1 252 . 1 1 16 16 G C5' C 13 62.91 . . 1 . . . . 16 G C5' . 7405 1 253 . 1 1 16 16 G C8 C 13 133.58 . . 1 . . . . 16 G C8 . 7405 1 254 . 1 1 16 16 G N1 N 15 147.38 . . 1 . . . . 16 G N1 . 7405 1 255 . 1 1 17 17 C H1' H 1 5.376 . . 1 . . . . 17 C H1' . 7405 1 256 . 1 1 17 17 C H2' H 1 4.145 . . 1 . . . . 17 C H2' . 7405 1 257 . 1 1 17 17 C H3' H 1 4.334 . . 1 . . . . 17 C H3' . 7405 1 258 . 1 1 17 17 C H4' H 1 4.295 . . 1 . . . . 17 C H4' . 7405 1 259 . 1 1 17 17 C H5 H 1 5.145 . . 1 . . . . 17 C H5 . 7405 1 260 . 1 1 17 17 C H5' H 1 3.968 . . 2 . . . . 17 C H5' . 7405 1 261 . 1 1 17 17 C H5'' H 1 4.454 . . 2 . . . . 17 C H5'' . 7405 1 262 . 1 1 17 17 C H6 H 1 7.577 . . 1 . . . . 17 C H6 . 7405 1 263 . 1 1 17 17 C H41 H 1 6.942 . . 2 . . . . 17 C H41 . 7405 1 264 . 1 1 17 17 C H42 H 1 8.566 . . 2 . . . . 17 C H42 . 7405 1 265 . 1 1 17 17 C C1' C 13 91.56 . . 1 . . . . 17 C C1' . 7405 1 266 . 1 1 17 17 C C2' C 13 73.11 . . 1 . . . . 17 C C2' . 7405 1 267 . 1 1 17 17 C C3' C 13 69.43 . . 1 . . . . 17 C C3' . 7405 1 268 . 1 1 17 17 C C4' C 13 79.36 . . 1 . . . . 17 C C4' . 7405 1 269 . 1 1 17 17 C C5 C 13 94.58 . . 1 . . . . 17 C C5 . 7405 1 270 . 1 1 17 17 C C5' C 13 62.02 . . 1 . . . . 17 C C5' . 7405 1 271 . 1 1 17 17 C N4 N 15 98.99 . . 1 . . . . 17 C N4 . 7405 1 272 . 1 1 18 18 C H1' H 1 5.660 . . 1 . . . . 18 C H1' . 7405 1 273 . 1 1 18 18 C H2' H 1 3.903 . . 1 . . . . 18 C H2' . 7405 1 274 . 1 1 18 18 C H3' H 1 4.084 . . 1 . . . . 18 C H3' . 7405 1 275 . 1 1 18 18 C H4' H 1 4.069 . . 1 . . . . 18 C H4' . 7405 1 276 . 1 1 18 18 C H5 H 1 5.429 . . 1 . . . . 18 C H5 . 7405 1 277 . 1 1 18 18 C H5' H 1 3.933 . . 2 . . . . 18 C H5' . 7405 1 278 . 1 1 18 18 C H5'' H 1 4.390 . . 2 . . . . 18 C H5'' . 7405 1 279 . 1 1 18 18 C H6 H 1 7.570 . . 1 . . . . 18 C H6 . 7405 1 280 . 1 1 18 18 C H41 H 1 7.023 . . 2 . . . . 18 C H41 . 7405 1 281 . 1 1 18 18 C H42 H 1 8.428 . . 2 . . . . 18 C H42 . 7405 1 282 . 1 1 18 18 C C1' C 13 90.54 . . 1 . . . . 18 C C1' . 7405 1 283 . 1 1 18 18 C C2' C 13 75.09 . . 1 . . . . 18 C C2' . 7405 1 284 . 1 1 18 18 C C3' C 13 67.08 . . 1 . . . . 18 C C3' . 7405 1 285 . 1 1 18 18 C C4' C 13 80.74 . . 1 . . . . 18 C C4' . 7405 1 286 . 1 1 18 18 C C5 C 13 95.79 . . 1 . . . . 18 C C5 . 7405 1 287 . 1 1 18 18 C C5' C 13 62.56 . . 1 . . . . 18 C C5' . 7405 1 288 . 1 1 18 18 C C6 C 13 143.65 . . 1 . . . . 18 C C6 . 7405 1 289 . 1 1 18 18 C N4 N 15 96.97 . . 1 . . . . 18 C N4 . 7405 1 stop_ save_