data_7403 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7403 _Entry.Title ; Solution structure of the CR7 terminal hairpin loop from human telomerase RNA ; _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. . . 7403 2 C. Theimer C. A. . 7403 3 N Chim N. . . 7403 4 K. Breece K. A. . 7403 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID loop . 7403 'syn G' . 7403 'wobble base pair' . 7403 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7403 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 191 7403 '15N chemical shifts' 54 7403 '1H chemical shifts' 178 7403 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 . 7403 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7404 'U64 H/ACA snoRNA 3'' 7403 BMRB 7405 'U85 C/D-H/ACA' 7403 PDB 2QH2 'BMRB Entry Tracking System' 7403 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7403 _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. . 7403 1 2 B. Jady B. E. . 7403 1 3 N. Chim N. . . 7403 1 4 P. Richard P. . . 7403 1 5 K. Breece K. E. . 7403 1 6 T. Kiss T. . . 7403 1 7 J. Feigon J. . . 7403 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7403 _Assembly.ID 1 _Assembly.Name telomerase_RNA_CR7 _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 U 9 ? ? ? ? 1_555 A G 15 ? ? ? A U 9 A G 15 1_555 ? ? ? ? ? ? ? hydrog1 hydrog ? ? ? A G 1 N1 ? ? ? 1_555 A C 24 N3 ? ? A G 1 A C 24 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog2 hydrog ? ? ? A G 1 N2 ? ? ? 1_555 A C 24 O2 ? ? A G 1 A C 24 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog3 hydrog ? ? ? A G 1 O6 ? ? ? 1_555 A C 24 N4 ? ? A G 1 A C 24 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog4 hydrog ? ? ? A G 2 N1 ? ? ? 1_555 A C 23 N3 ? ? A G 2 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog5 hydrog ? ? ? A G 2 N2 ? ? ? 1_555 A C 23 O2 ? ? A G 2 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog6 hydrog ? ? ? A G 2 O6 ? ? ? 1_555 A C 23 N4 ? ? A G 2 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog7 hydrog ? ? ? A A 3 N1 ? ? ? 1_555 A U 22 N3 ? ? A A 3 A U 22 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog8 hydrog ? ? ? A A 3 N6 ? ? ? 1_555 A U 22 O4 ? ? A A 3 A U 22 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog9 hydrog ? ? ? A G 4 N1 ? ? ? 1_555 A C 21 N3 ? ? A G 4 A C 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog10 hydrog ? ? ? A G 4 N2 ? ? ? 1_555 A C 21 O2 ? ? A G 4 A C 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog11 hydrog ? ? ? A G 4 O6 ? ? ? 1_555 A C 21 N4 ? ? A G 4 A C 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog12 hydrog ? ? ? A U 5 N3 ? ? ? 1_555 A A 20 N1 ? ? A U 5 A A 20 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog13 hydrog ? ? ? A U 5 O4 ? ? ? 1_555 A A 20 N6 ? ? A U 5 A A 20 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog14 hydrog ? ? ? A G 6 N1 ? ? ? 1_555 A C 19 N3 ? ? A G 6 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog15 hydrog ? ? ? A G 6 N2 ? ? ? 1_555 A C 19 O2 ? ? A G 6 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog16 hydrog ? ? ? A G 6 O6 ? ? ? 1_555 A C 19 N4 ? ? A G 6 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog17 hydrog ? ? ? A C 7 N3 ? ? ? 1_555 A G 18 N1 ? ? A C 7 A G 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog18 hydrog ? ? ? A C 7 N4 ? ? ? 1_555 A G 18 O6 ? ? A C 7 A G 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog19 hydrog ? ? ? A C 7 O2 ? ? ? 1_555 A G 18 N2 ? ? A C 7 A G 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog20 hydrog ? ? ? A C 8 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 8 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog21 hydrog ? ? ? A C 8 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 8 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog22 hydrog ? ? ? A C 8 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 8 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog23 hydrog ? ? ? A U 9 N3 ? ? ? 1_555 A G 15 O6 ? ? A U 9 A G 15 1_555 ? ? ? ? ? ? TYPE_28_PAIR hydrog24 hydrog ? ? ? A U 9 O2 ? ? ? 1_555 A G 15 N1 ? ? A U 9 A G 15 1_555 ? ? ? ? ? ? TYPE_28_PAIR ; _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 telomerase RNA CR7 terminal hairpin loop' 1 $Human_telomerase_RNA_CR7_terminal_hairpin_loop A . yes native no no . . . 7403 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_telomerase_RNA_CR7_terminal_hairpin_loop _Entity.Sf_category entity _Entity.Sf_framecode Human_telomerase_RNA_CR7_terminal_hairpin_loop _Entity.Entry_ID 7403 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Human_telomerase_RNA_CR7_terminal_hairpin_loop _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 ; GGAGUGCCUGAGCUGUGGCA CUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . 7403 1 2 . G . 7403 1 3 . A . 7403 1 4 . G . 7403 1 5 . U . 7403 1 6 . G . 7403 1 7 . C . 7403 1 8 . C . 7403 1 9 . U . 7403 1 10 . G . 7403 1 11 . A . 7403 1 12 . G . 7403 1 13 . C . 7403 1 14 . U . 7403 1 15 . G . 7403 1 16 . U . 7403 1 17 . G . 7403 1 18 . G . 7403 1 19 . C . 7403 1 20 . A . 7403 1 21 . C . 7403 1 22 . U . 7403 1 23 . C . 7403 1 24 . C . 7403 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 7403 1 . G 2 2 7403 1 . A 3 3 7403 1 . G 4 4 7403 1 . U 5 5 7403 1 . G 6 6 7403 1 . C 7 7 7403 1 . C 8 8 7403 1 . U 9 9 7403 1 . G 10 10 7403 1 . A 11 11 7403 1 . G 12 12 7403 1 . C 13 13 7403 1 . U 14 14 7403 1 . G 15 15 7403 1 . U 16 16 7403 1 . G 17 17 7403 1 . G 18 18 7403 1 . C 19 19 7403 1 . A 20 20 7403 1 . C 21 21 7403 1 . U 22 22 7403 1 . C 23 23 7403 1 . C 24 24 7403 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 7403 _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_telomerase_RNA_CR7_terminal_hairpin_loop . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7403 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 7403 _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_telomerase_RNA_CR7_terminal_hairpin_loop . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'RNA is synthesized using in vitro transcription with T7 RNA polymerase and a partially double-stranded DNA template' . . 7403 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7403 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM unlabeled RNA, 10 mM sodium phosphate buffer, pH 6.3, 200 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 telomerase_RNA_CR7 'natural abundance' . . 1 $Human_telomerase_RNA_CR7_terminal_hairpin_loop . . 1 . . mM . . . . 7403 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 7403 1 3 KCl . . . . . . . 200 . . mM . . . . 7403 1 4 EDTA . . . . . . . 50 . . uM . . . . 7403 1 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 7403 1 6 H2O . . . . . . . 95 . . % . . . . 7403 1 7 D2O . . . . . . . 5 . . % . . . . 7403 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7403 _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, 200 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 telomerase_RNA_CR7 '[U-13C; U-15N]' . . 1 $Human_telomerase_RNA_CR7_terminal_hairpin_loop . . 1 . . mM . . . . 7403 2 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 7403 2 3 KCl . . . . . . . 200 . . mM . . . . 7403 2 4 EDTA . . . . . . . 50 . . uM . . . . 7403 2 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 7403 2 6 H2O . . . . . . . 95 . . % . . . . 7403 2 7 D2O . . . . . . . 5 . . % . . . . 7403 2 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 7403 _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' 200 . mM 7403 1 pH 6.3 . pH 7403 1 pressure 1 . atm 7403 1 temperature 283 . K 7403 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7403 _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 . . 7403 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7403 1 stop_ save_ save_XWINNMR2 _Software.Sf_category software _Software.Sf_framecode XWINNMR2 _Software.Entry_ID 7403 _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 . . 7403 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7403 2 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 7403 _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 . . 7403 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7403 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7403 _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 . . 7403 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7403 4 stop_ save_ save_X-PLOR2 _Software.Sf_category software _Software.Sf_framecode X-PLOR2 _Software.Entry_ID 7403 _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 . . 7403 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7403 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 7403 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DPX _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 7403 _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 7403 _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 7403 _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 DPX . 500 . . . 7403 1 2 spectrometer_2 Bruker DRX . 600 . . . 7403 1 3 spectrometer_3 Bruker AVANCE . 800 . . . 7403 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 7403 _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 . . . . . . . . . . . . . . . . . . . . . 7403 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 3 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 4 'Natural abundance 2D 13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 5 '2D 15N-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 6 '2D 15N-CPMG-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 7 '2D JNN-HNN-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 8 '2D 13C-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 9 '2D HCCH-COCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 11 '2D 31P spin echo difference HCCH/HSQC/HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 1 12 '2D CT-CE-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7403 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 7403 _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 . . . . . . . . . . 7403 1 H 1 H2O protons . . . . ppm . internal direct . . . . . . . . . . 7403 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect . . . . . . . . . . 7403 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 7403 _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)' . . . 7403 1 2 '2D NOESY' . . . 7403 1 3 '2D TOCSY' . . . 7403 1 4 'Natural abundance 2D 13C HSQC' . . . 7403 1 5 '2D 15N-HMQC' . . . 7403 1 6 '2D 15N-CPMG-NOESY' . . . 7403 1 7 '2D JNN-HNN-COSY' . . . 7403 1 8 '2D 13C-HSQC' . . . 7403 1 9 '2D HCCH-COCSY' . . . 7403 1 10 '3D HCCH-TOCSY' . . . 7403 1 11 '2D 31P spin echo difference HCCH/HSQC/HMQC' . . . 7403 1 12 '2D CT-CE-HSQC' . . . 7403 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 12.533 . . 1 . . . . 1 G H1 . 7403 1 2 . 1 1 1 1 G H1' H 1 5.789 . . 1 . . . . 1 G H1' . 7403 1 3 . 1 1 1 1 G H2' H 1 4.896 . . 1 . . . . 1 G H2' . 7403 1 4 . 1 1 1 1 G H3' H 1 4.657 . . 1 . . . . 1 G H3' . 7403 1 5 . 1 1 1 1 G H4' H 1 4.521 . . 1 . . . . 1 G H4' . 7403 1 6 . 1 1 1 1 G H5' H 1 4.413 . . 1 . . . . 1 G H5' . 7403 1 7 . 1 1 1 1 G H5'' H 1 4.240 . . 1 . . . . 1 G H5'' . 7403 1 8 . 1 1 1 1 G H8 H 1 8.089 . . 1 . . . . 1 G H8 . 7403 1 9 . 1 1 1 1 G C1' C 13 90.120 . . 1 . . . . 1 G C1' . 7403 1 10 . 1 1 1 1 G C2' C 13 72.544 . . 1 . . . . 1 G C2' . 7403 1 11 . 1 1 1 1 G C3' C 13 71.844 . . 1 . . . . 1 G C3' . 7403 1 12 . 1 1 1 1 G C4' C 13 80.681 . . 1 . . . . 1 G C4' . 7403 1 13 . 1 1 1 1 G C5 C 13 116.298 . . 1 . . . . 1 G C5 . 7403 1 14 . 1 1 1 1 G C5' C 13 64.544 . . 1 . . . . 1 G C5' . 7403 1 15 . 1 1 1 1 G C6 C 13 160.980 . . 1 . . . . 1 G C6 . 7403 1 16 . 1 1 1 1 G C8 C 13 136.647 . . 1 . . . . 1 G C8 . 7403 1 17 . 1 1 1 1 G N1 N 15 146.712 . . 1 . . . . 1 G N1 . 7403 1 18 . 1 1 1 1 G N7 N 15 230.826 . . 1 . . . . 1 G N7 . 7403 1 19 . 1 1 1 1 G N9 N 15 168.198 . . 1 . . . . 1 G N9 . 7403 1 20 . 1 1 2 2 G H1 H 1 12.201 . . 1 . . . . 2 G H1 . 7403 1 21 . 1 1 2 2 G H1' H 1 5.871 . . 1 . . . . 2 G H1' . 7403 1 22 . 1 1 2 2 G H2' H 1 4.652 . . 1 . . . . 2 G H2' . 7403 1 23 . 1 1 2 2 G H3' H 1 4.582 . . 1 . . . . 2 G H3' . 7403 1 24 . 1 1 2 2 G H4' H 1 4.521 . . 1 . . . . 2 G H4' . 7403 1 25 . 1 1 2 2 G H8 H 1 7.486 . . 1 . . . . 2 G H8 . 7403 1 26 . 1 1 2 2 G C1' C 13 90.444 . . 1 . . . . 2 G C1' . 7403 1 27 . 1 1 2 2 G C2' C 13 72.941 . . 1 . . . . 2 G C2' . 7403 1 28 . 1 1 2 2 G C4' C 13 79.868 . . 1 . . . . 2 G C4' . 7403 1 29 . 1 1 2 2 G C5 C 13 116.181 . . 1 . . . . 2 G C5 . 7403 1 30 . 1 1 2 2 G C6 C 13 159.950 . . 1 . . . . 2 G C6 . 7403 1 31 . 1 1 2 2 G C8 C 13 134.466 . . 1 . . . . 2 G C8 . 7403 1 32 . 1 1 2 2 G N1 N 15 146.405 . . 1 . . . . 2 G N1 . 7403 1 33 . 1 1 2 2 G N2 N 15 73.838 . . 1 . . . . 2 G N2 . 7403 1 34 . 1 1 2 2 G N7 N 15 232.945 . . 1 . . . . 2 G N7 . 7403 1 35 . 1 1 2 2 G N9 N 15 168.872 . . 1 . . . . 2 G N9 . 7403 1 36 . 1 1 3 3 A H1' H 1 5.960 . . 1 . . . . 3 A H1' . 7403 1 37 . 1 1 3 3 A H2 H 1 7.457 . . 1 . . . . 3 A H2 . 7403 1 38 . 1 1 3 3 A H2' H 1 4.712 . . 1 . . . . 3 A H2' . 7403 1 39 . 1 1 3 3 A H3' H 1 4.623 . . 1 . . . . 3 A H3' . 7403 1 40 . 1 1 3 3 A H4' H 1 4.491 . . 1 . . . . 3 A H4' . 7403 1 41 . 1 1 3 3 A H8 H 1 7.716 . . 1 . . . . 3 A H8 . 7403 1 42 . 1 1 3 3 A C1' C 13 90.446 . . 1 . . . . 3 A C1' . 7403 1 43 . 1 1 3 3 A C2 C 13 150.856 . . 1 . . . . 3 A C2 . 7403 1 44 . 1 1 3 3 A C2' C 13 73.199 . . 1 . . . . 3 A C2' . 7403 1 45 . 1 1 3 3 A C3' C 13 70.155 . . 1 . . . . 3 A C3' . 7403 1 46 . 1 1 3 3 A C4 C 13 146.193 . . 1 . . . . 3 A C4 . 7403 1 47 . 1 1 3 3 A C4' C 13 79.401 . . 1 . . . . 3 A C4' . 7403 1 48 . 1 1 3 3 A C5 C 13 118.549 . . 1 . . . . 3 A C5 . 7403 1 49 . 1 1 3 3 A C6 C 13 155.340 . . 1 . . . . 3 A C6 . 7403 1 50 . 1 1 3 3 A C8 C 13 136.787 . . 1 . . . . 3 A C8 . 7403 1 51 . 1 1 3 3 A N1 N 15 220.315 . . 1 . . . . 3 A N1 . 7403 1 52 . 1 1 3 3 A N3 N 15 211.671 . . 1 . . . . 3 A N3 . 7403 1 53 . 1 1 3 3 A N6 N 15 82.687 . . 1 . . . . 3 A N6 . 7403 1 54 . 1 1 3 3 A N7 N 15 229.477 . . 1 . . . . 3 A N7 . 7403 1 55 . 1 1 3 3 A N9 N 15 170.029 . . 1 . . . . 3 A N9 . 7403 1 56 . 1 1 4 4 G H1 H 1 13.210 . . 1 . . . . 4 G H1 . 7403 1 57 . 1 1 4 4 G H1' H 1 5.544 . . 1 . . . . 4 G H1' . 7403 1 58 . 1 1 4 4 G H2' H 1 4.362 . . 1 . . . . 4 G H2' . 7403 1 59 . 1 1 4 4 G H3' H 1 4.434 . . 1 . . . . 4 G H3' . 7403 1 60 . 1 1 4 4 G H4' H 1 4.411 . . 1 . . . . 4 G H4' . 7403 1 61 . 1 1 4 4 G H8 H 1 7.048 . . 1 . . . . 4 G H8 . 7403 1 62 . 1 1 4 4 G C1' C 13 90.498 . . 1 . . . . 4 G C1' . 7403 1 63 . 1 1 4 4 G C2' C 13 72.943 . . 1 . . . . 4 G C2' . 7403 1 64 . 1 1 4 4 G C3' C 13 69.406 . . 1 . . . . 4 G C3' . 7403 1 65 . 1 1 4 4 G C4' C 13 79.423 . . 1 . . . . 4 G C4' . 7403 1 66 . 1 1 4 4 G C5 C 13 116.487 . . 1 . . . . 4 G C5 . 7403 1 67 . 1 1 4 4 G C6 C 13 160.441 . . 1 . . . . 4 G C6 . 7403 1 68 . 1 1 4 4 G C8 C 13 133.411 . . 1 . . . . 4 G C8 . 7403 1 69 . 1 1 4 4 G N1 N 15 147.631 . . 1 . . . . 4 G N1 . 7403 1 70 . 1 1 4 4 G N2 N 15 74.190 . . 1 . . . . 4 G N2 . 7403 1 71 . 1 1 4 4 G N7 N 15 233.909 . . 1 . . . . 4 G N7 . 7403 1 72 . 1 1 4 4 G N9 N 15 168.294 . . 1 . . . . 4 G N9 . 7403 1 73 . 1 1 5 5 U H1' H 1 5.522 . . 1 . . . . 5 U H1' . 7403 1 74 . 1 1 5 5 U H2' H 1 4.555 . . 1 . . . . 5 U H2' . 7403 1 75 . 1 1 5 5 U H3 H 1 13.532 . . 1 . . . . 5 U H3 . 7403 1 76 . 1 1 5 5 U H3' H 1 4.507 . . 1 . . . . 5 U H3' . 7403 1 77 . 1 1 5 5 U H4' H 1 4.290 . . 1 . . . . 5 U H4' . 7403 1 78 . 1 1 5 5 U H5 H 1 5.014 . . 1 . . . . 5 U H5 . 7403 1 79 . 1 1 5 5 U H5' H 1 4.515 . . 2 . . . . 5 U H5' . 7403 1 80 . 1 1 5 5 U H5'' H 1 4.035 . . 2 . . . . 5 U H5'' . 7403 1 81 . 1 1 5 5 U H6 H 1 7.656 . . 1 . . . . 5 U H6 . 7403 1 82 . 1 1 5 5 U C1' C 13 90.929 . . 1 . . . . 5 U C1' . 7403 1 83 . 1 1 5 5 U C2 C 13 150.041 . . 1 . . . . 5 U C2 . 7403 1 84 . 1 1 5 5 U C2' C 13 72.820 . . 1 . . . . 5 U C2' . 7403 1 85 . 1 1 5 5 U C3' C 13 69.447 . . 1 . . . . 5 U C3' . 7403 1 86 . 1 1 5 5 U C4 C 13 166.372 . . 1 . . . . 5 U C4 . 7403 1 87 . 1 1 5 5 U C4' C 13 80.114 . . 1 . . . . 5 U C4' . 7403 1 88 . 1 1 5 5 U C5 C 13 100.632 . . 1 . . . . 5 U C5 . 7403 1 89 . 1 1 5 5 U C5' C 13 61.810 . . 1 . . . . 5 U C5' . 7403 1 90 . 1 1 5 5 U C6 C 13 138.476 . . 1 . . . . 5 U C6 . 7403 1 91 . 1 1 5 5 U N3 N 15 161.646 . . 1 . . . . 5 U N3 . 7403 1 92 . 1 1 6 6 G H1 H 1 12.382 . . 1 . . . . 6 G H1 . 7403 1 93 . 1 1 6 6 G H1' H 1 5.785 . . 1 . . . . 6 G H1' . 7403 1 94 . 1 1 6 6 G H2' H 1 4.428 . . 1 . . . . 6 G H2' . 7403 1 95 . 1 1 6 6 G H8 H 1 7.686 . . 1 . . . . 6 G H8 . 7403 1 96 . 1 1 6 6 G C1' C 13 89.257 . . 1 . . . . 6 G C1' . 7403 1 97 . 1 1 6 6 G C2' C 13 73.340 . . 1 . . . . 6 G C2' . 7403 1 98 . 1 1 6 6 G C5 C 13 116.487 . . 1 . . . . 6 G C5 . 7403 1 99 . 1 1 6 6 G C6 C 13 159.901 . . 1 . . . . 6 G C6 . 7403 1 100 . 1 1 6 6 G C8 C 13 133.622 . . 1 . . . . 6 G C8 . 7403 1 101 . 1 1 6 6 G N1 N 15 147.281 . . 1 . . . . 6 G N1 . 7403 1 102 . 1 1 6 6 G N2 N 15 74.659 . . 1 . . . . 6 G N2 . 7403 1 103 . 1 1 6 6 G N7 N 15 234.005 . . 1 . . . . 6 G N7 . 7403 1 104 . 1 1 6 6 G N9 N 15 168.969 . . 1 . . . . 6 G N9 . 7403 1 105 . 1 1 7 7 C H1' H 1 5.432 . . 1 . . . . 7 C H1' . 7403 1 106 . 1 1 7 7 C H2' H 1 4.335 . . 1 . . . . 7 C H2' . 7403 1 107 . 1 1 7 7 C H3' H 1 4.309 . . 1 . . . . 7 C H3' . 7403 1 108 . 1 1 7 7 C H4' H 1 4.355 . . 1 . . . . 7 C H4' . 7403 1 109 . 1 1 7 7 C H5 H 1 5.175 . . 1 . . . . 7 C H5 . 7403 1 110 . 1 1 7 7 C H6 H 1 7.612 . . 1 . . . . 7 C H6 . 7403 1 111 . 1 1 7 7 C H41 H 1 8.359 . . 2 . . . . 7 C H41 . 7403 1 112 . 1 1 7 7 C H42 H 1 6.676 . . 2 . . . . 7 C H42 . 7403 1 113 . 1 1 7 7 C C1' C 13 91.199 . . 1 . . . . 7 C C1' . 7403 1 114 . 1 1 7 7 C C2 C 13 156.257 . . 1 . . . . 7 C C2 . 7403 1 115 . 1 1 7 7 C C2' C 13 69.674 . . 1 . . . . 7 C C2' . 7403 1 116 . 1 1 7 7 C C3' C 13 72.968 . . 1 . . . . 7 C C3' . 7403 1 117 . 1 1 7 7 C C4 C 13 165.582 . . 1 . . . . 7 C C4 . 7403 1 118 . 1 1 7 7 C C4' C 13 79.154 . . 1 . . . . 7 C C4' . 7403 1 119 . 1 1 7 7 C C5 C 13 94.652 . . 1 . . . . 7 C C5 . 7403 1 120 . 1 1 7 7 C C6 C 13 139.320 . . 1 . . . . 7 C C6 . 7403 1 121 . 1 1 7 7 C N4 N 15 99.211 . . 1 . . . . 7 C N4 . 7403 1 122 . 1 1 8 8 C H1' H 1 5.450 . . 1 . . . . 8 C H1' . 7403 1 123 . 1 1 8 8 C H2' H 1 4.430 . . 1 . . . . 8 C H2' . 7403 1 124 . 1 1 8 8 C H3' H 1 4.210 . . 1 . . . . 8 C H3' . 7403 1 125 . 1 1 8 8 C H4' H 1 4.344 . . 1 . . . . 8 C H4' . 7403 1 126 . 1 1 8 8 C H5 H 1 5.419 . . 1 . . . . 8 C H5 . 7403 1 127 . 1 1 8 8 C H6 H 1 7.528 . . 1 . . . . 8 C H6 . 7403 1 128 . 1 1 8 8 C H41 H 1 8.055 . . 2 . . . . 8 C H41 . 7403 1 129 . 1 1 8 8 C H42 H 1 6.655 . . 2 . . . . 8 C H42 . 7403 1 130 . 1 1 8 8 C C1' C 13 91.522 . . 1 . . . . 8 C C1' . 7403 1 131 . 1 1 8 8 C C2 C 13 156.257 . . 1 . . . . 8 C C2 . 7403 1 132 . 1 1 8 8 C C2' C 13 73.182 . . 1 . . . . 8 C C2' . 7403 1 133 . 1 1 8 8 C C3' C 13 69.817 . . 1 . . . . 8 C C3' . 7403 1 134 . 1 1 8 8 C C4 C 13 165.965 . . 1 . . . . 8 C C4 . 7403 1 135 . 1 1 8 8 C C4' C 13 79.343 . . 1 . . . . 8 C C4' . 7403 1 136 . 1 1 8 8 C C5 C 13 95.567 . . 1 . . . . 8 C C5 . 7403 1 137 . 1 1 8 8 C C6 C 13 138.335 . . 1 . . . . 8 C C6 . 7403 1 138 . 1 1 8 8 C N4 N 15 98.039 . . 1 . . . . 8 C N4 . 7403 1 139 . 1 1 9 9 U H1' H 1 5.505 . . 1 . . . . 9 U H1' . 7403 1 140 . 1 1 9 9 U H2' H 1 4.182 . . 1 . . . . 9 U H2' . 7403 1 141 . 1 1 9 9 U H3 H 1 10.894 . . 1 . . . . 9 U H3 . 7403 1 142 . 1 1 9 9 U H3' H 1 4.543 . . 1 . . . . 9 U H3' . 7403 1 143 . 1 1 9 9 U H4' H 1 4.302 . . 1 . . . . 9 U H4' . 7403 1 144 . 1 1 9 9 U H5 H 1 5.570 . . 1 . . . . 9 U H5 . 7403 1 145 . 1 1 9 9 U H6 H 1 7.690 . . 1 . . . . 9 U H6 . 7403 1 146 . 1 1 9 9 U C1' C 13 91.307 . . 1 . . . . 9 U C1' . 7403 1 147 . 1 1 9 9 U C2 C 13 151.569 . . 1 . . . . 9 U C2 . 7403 1 148 . 1 1 9 9 U C2' C 13 73.158 . . 1 . . . . 9 U C2' . 7403 1 149 . 1 1 9 9 U C3' C 13 72.764 . . 1 . . . . 9 U C3' . 7403 1 150 . 1 1 9 9 U C4 C 13 164.665 . . 1 . . . . 9 U C4 . 7403 1 151 . 1 1 9 9 U C4' C 13 80.154 . . 1 . . . . 9 U C4' . 7403 1 152 . 1 1 9 9 U C5 C 13 102.460 . . 1 . . . . 9 U C5 . 7403 1 153 . 1 1 9 9 U C6 C 13 141.008 . . 1 . . . . 9 U C6 . 7403 1 154 . 1 1 9 9 U N3 N 15 157.004 . . 1 . . . . 9 U N3 . 7403 1 155 . 1 1 10 10 G H1' H 1 5.355 . . 1 . . . . 10 G H1' . 7403 1 156 . 1 1 10 10 G H2' H 1 4.400 . . 1 . . . . 10 G H2' . 7403 1 157 . 1 1 10 10 G H3' H 1 4.558 . . 1 . . . . 10 G H3' . 7403 1 158 . 1 1 10 10 G H4' H 1 4.298 . . 1 . . . . 10 G H4' . 7403 1 159 . 1 1 10 10 G H8 H 1 7.621 . . 1 . . . . 10 G H8 . 7403 1 160 . 1 1 10 10 G C1' C 13 89.303 . . 1 . . . . 10 G C1' . 7403 1 161 . 1 1 10 10 G C2' C 13 72.818 . . 1 . . . . 10 G C2' . 7403 1 162 . 1 1 10 10 G C3' C 13 71.921 . . 1 . . . . 10 G C3' . 7403 1 163 . 1 1 10 10 G C4' C 13 80.761 . . 1 . . . . 10 G C4' . 7403 1 164 . 1 1 10 10 G C5 C 13 115.959 . . 1 . . . . 10 G C5 . 7403 1 165 . 1 1 10 10 G C6 C 13 159.313 . . 1 . . . . 10 G C6 . 7403 1 166 . 1 1 10 10 G C8 C 13 135.451 . . 1 . . . . 10 G C8 . 7403 1 167 . 1 1 10 10 G N7 N 15 235.161 . . 1 . . . . 10 G N7 . 7403 1 168 . 1 1 10 10 G N9 N 15 168.680 . . 1 . . . . 10 G N9 . 7403 1 169 . 1 1 11 11 A H1' H 1 5.788 . . 1 . . . . 11 A H1' . 7403 1 170 . 1 1 11 11 A H2 H 1 7.852 . . 1 . . . . 11 A H2 . 7403 1 171 . 1 1 11 11 A H2' H 1 4.451 . . 1 . . . . 11 A H2' . 7403 1 172 . 1 1 11 11 A H3' H 1 4.545 . . 1 . . . . 11 A H3' . 7403 1 173 . 1 1 11 11 A H4' H 1 4.438 . . 1 . . . . 11 A H4' . 7403 1 174 . 1 1 11 11 A H5' H 1 4.092 . . 2 . . . . 11 A H5' . 7403 1 175 . 1 1 11 11 A H5'' H 1 4.479 . . 2 . . . . 11 A H5'' . 7403 1 176 . 1 1 11 11 A H8 H 1 7.952 . . 1 . . . . 11 A H8 . 7403 1 177 . 1 1 11 11 A H61 H 1 6.353 . . 2 . . . . 11 A H61 . 7403 1 178 . 1 1 11 11 A C1' C 13 89.689 . . 1 . . . . 11 A C1' . 7403 1 179 . 1 1 11 11 A C2 C 13 152.896 . . 1 . . . . 11 A C2 . 7403 1 180 . 1 1 11 11 A C2' C 13 73.291 . . 1 . . . . 11 A C2' . 7403 1 181 . 1 1 11 11 A C3' C 13 70.092 . . 1 . . . . 11 A C3' . 7403 1 182 . 1 1 11 11 A C4 C 13 147.518 . . 1 . . . . 11 A C4 . 7403 1 183 . 1 1 11 11 A C4' C 13 79.491 . . 1 . . . . 11 A C4' . 7403 1 184 . 1 1 11 11 A C5 C 13 118.125 . . 1 . . . . 11 A C5 . 7403 1 185 . 1 1 11 11 A C5' C 13 62.903 . . 1 . . . . 11 A C5' . 7403 1 186 . 1 1 11 11 A C6 C 13 155.162 . . 1 . . . . 11 A C6 . 7403 1 187 . 1 1 11 11 A C8 C 13 137.631 . . 1 . . . . 11 A C8 . 7403 1 188 . 1 1 11 11 A N1 N 15 225.045 . . 1 . . . . 11 A N1 . 7403 1 189 . 1 1 11 11 A N3 N 15 213.286 . . 1 . . . . 11 A N3 . 7403 1 190 . 1 1 11 11 A N6 N 15 80.167 . . 1 . . . . 11 A N6 . 7403 1 191 . 1 1 11 11 A N7 N 15 230.633 . . 1 . . . . 11 A N7 . 7403 1 192 . 1 1 11 11 A N9 N 15 168.872 . . 1 . . . . 11 A N9 . 7403 1 193 . 1 1 12 12 G H1' H 1 5.562 . . 1 . . . . 12 G H1' . 7403 1 194 . 1 1 12 12 G H2' H 1 4.788 . . 1 . . . . 12 G H2' . 7403 1 195 . 1 1 12 12 G H3' H 1 4.621 . . 1 . . . . 12 G H3' . 7403 1 196 . 1 1 12 12 G H4' H 1 4.342 . . 1 . . . . 12 G H4' . 7403 1 197 . 1 1 12 12 G H5' H 1 4.223 . . 1 . . . . 12 G H5' . 7403 1 198 . 1 1 12 12 G H5'' H 1 4.017 . . 1 . . . . 12 G H5'' . 7403 1 199 . 1 1 12 12 G H8 H 1 7.630 . . 1 . . . . 12 G H8 . 7403 1 200 . 1 1 12 12 G C1' C 13 87.532 . . 1 . . . . 12 G C1' . 7403 1 201 . 1 1 12 12 G C2' C 13 71.631 . . 1 . . . . 12 G C2' . 7403 1 202 . 1 1 12 12 G C3' C 13 74.964 . . 1 . . . . 12 G C3' . 7403 1 203 . 1 1 12 12 G C4' C 13 83.106 . . 1 . . . . 12 G C4' . 7403 1 204 . 1 1 12 12 G C5 C 13 115.890 . . 1 . . . . 12 G C5 . 7403 1 205 . 1 1 12 12 G C5' C 13 65.052 . . 1 . . . . 12 G C5' . 7403 1 206 . 1 1 12 12 G C6 C 13 159.460 . . 1 . . . . 12 G C6 . 7403 1 207 . 1 1 12 12 G C8 C 13 138.265 . . 1 . . . . 12 G C8 . 7403 1 208 . 1 1 12 12 G N7 N 15 234.391 . . 1 . . . . 12 G N7 . 7403 1 209 . 1 1 12 12 G N9 N 15 164.151 . . 1 . . . . 12 G N9 . 7403 1 210 . 1 1 13 13 C H1' H 1 5.915 . . 1 . . . . 13 C H1' . 7403 1 211 . 1 1 13 13 C H2' H 1 4.541 . . 1 . . . . 13 C H2' . 7403 1 212 . 1 1 13 13 C H3' H 1 4.268 . . 1 . . . . 13 C H3' . 7403 1 213 . 1 1 13 13 C H4' H 1 4.353 . . 1 . . . . 13 C H4' . 7403 1 214 . 1 1 13 13 C H5 H 1 5.870 . . 1 . . . . 13 C H5 . 7403 1 215 . 1 1 13 13 C H5' H 1 4.144 . . 2 . . . . 13 C H5' . 7403 1 216 . 1 1 13 13 C H5'' H 1 4.026 . . 2 . . . . 13 C H5'' . 7403 1 217 . 1 1 13 13 C H6 H 1 7.705 . . 1 . . . . 13 C H6 . 7403 1 218 . 1 1 13 13 C H41 H 1 6.990 . . 2 . . . . 13 C H41 . 7403 1 219 . 1 1 13 13 C H42 H 1 6.484 . . 2 . . . . 13 C H42 . 7403 1 220 . 1 1 13 13 C C1' C 13 88.772 . . 1 . . . . 13 C C1' . 7403 1 221 . 1 1 13 13 C C2 C 13 157.608 . . 1 . . . . 13 C C2 . 7403 1 222 . 1 1 13 13 C C2' C 13 73.577 . . 1 . . . . 13 C C2' . 7403 1 223 . 1 1 13 13 C C3' C 13 74.276 . . 1 . . . . 13 C C3' . 7403 1 224 . 1 1 13 13 C C4 C 13 165.862 . . 1 . . . . 13 C C4 . 7403 1 225 . 1 1 13 13 C C4' C 13 82.036 . . 1 . . . . 13 C C4' . 7403 1 226 . 1 1 13 13 C C5 C 13 96.622 . . 1 . . . . 13 C C5 . 7403 1 227 . 1 1 13 13 C C5' C 13 64.871 . . 1 . . . . 13 C C5' . 7403 1 228 . 1 1 13 13 C C6 C 13 138.405 . . 1 . . . . 13 C C6 . 7403 1 229 . 1 1 13 13 C N4 N 15 94.178 . . 1 . . . . 13 C N4 . 7403 1 230 . 1 1 14 14 U H1' H 1 5.811 . . 1 . . . . 14 U H1' . 7403 1 231 . 1 1 14 14 U H2' H 1 4.315 . . 1 . . . . 14 U H2' . 7403 1 232 . 1 1 14 14 U H3' H 1 4.578 . . 1 . . . . 14 U H3' . 7403 1 233 . 1 1 14 14 U H4' H 1 4.337 . . 1 . . . . 14 U H4' . 7403 1 234 . 1 1 14 14 U H5 H 1 5.783 . . 1 . . . . 14 U H5 . 7403 1 235 . 1 1 14 14 U H5' H 1 4.138 . . 2 . . . . 14 U H5' . 7403 1 236 . 1 1 14 14 U H5'' H 1 4.050 . . 2 . . . . 14 U H5'' . 7403 1 237 . 1 1 14 14 U H6 H 1 7.772 . . 1 . . . . 14 U H6 . 7403 1 238 . 1 1 14 14 U C1' C 13 89.419 . . 1 . . . . 14 U C1' . 7403 1 239 . 1 1 14 14 U C2 C 13 151.442 . . 1 . . . . 14 U C2 . 7403 1 240 . 1 1 14 14 U C2' C 13 73.177 . . 1 . . . . 14 U C2' . 7403 1 241 . 1 1 14 14 U C3' C 13 73.457 . . 1 . . . . 14 U C3' . 7403 1 242 . 1 1 14 14 U C4 C 13 165.837 . . 1 . . . . 14 U C4 . 7403 1 243 . 1 1 14 14 U C4' C 13 81.821 . . 1 . . . . 14 U C4' . 7403 1 244 . 1 1 14 14 U C5 C 13 102.531 . . 1 . . . . 14 U C5 . 7403 1 245 . 1 1 14 14 U C5' C 13 64.841 . . 1 . . . . 14 U C5' . 7403 1 246 . 1 1 14 14 U C6 C 13 141.078 . . 1 . . . . 14 U C6 . 7403 1 247 . 1 1 15 15 G H1 H 1 10.151 . . 1 . . . . 15 G H1 . 7403 1 248 . 1 1 15 15 G H1' H 1 5.821 . . 1 . . . . 15 G H1' . 7403 1 249 . 1 1 15 15 G H2' H 1 4.810 . . 1 . . . . 15 G H2' . 7403 1 250 . 1 1 15 15 G H3' H 1 4.801 . . 1 . . . . 15 G H3' . 7403 1 251 . 1 1 15 15 G H4' H 1 4.367 . . 1 . . . . 15 G H4' . 7403 1 252 . 1 1 15 15 G H5' H 1 4.267 . . 2 . . . . 15 G H5' . 7403 1 253 . 1 1 15 15 G H5'' H 1 4.125 . . 2 . . . . 15 G H5'' . 7403 1 254 . 1 1 15 15 G H8 H 1 7.963 . . 1 . . . . 15 G H8 . 7403 1 255 . 1 1 15 15 G C1' C 13 87.316 . . 1 . . . . 15 G C1' . 7403 1 256 . 1 1 15 15 G C2' C 13 72.699 . . 1 . . . . 15 G C2' . 7403 1 257 . 1 1 15 15 G C3' C 13 74.747 . . 1 . . . . 15 G C3' . 7403 1 258 . 1 1 15 15 G C4' C 13 82.714 . . 1 . . . . 15 G C4' . 7403 1 259 . 1 1 15 15 G C5 C 13 115.950 . . 1 . . . . 15 G C5 . 7403 1 260 . 1 1 15 15 G C5' C 13 65.077 . . 1 . . . . 15 G C5' . 7403 1 261 . 1 1 15 15 G C6 C 13 159.362 . . 1 . . . . 15 G C6 . 7403 1 262 . 1 1 15 15 G C8 C 13 138.124 . . 1 . . . . 15 G C8 . 7403 1 263 . 1 1 15 15 G N1 N 15 145.441 . . 1 . . . . 15 G N1 . 7403 1 264 . 1 1 15 15 G N7 N 15 235.739 . . 1 . . . . 15 G N7 . 7403 1 265 . 1 1 15 15 G N9 N 15 166.849 . . 1 . . . . 15 G N9 . 7403 1 266 . 1 1 16 16 U H1' H 1 5.577 . . 1 . . . . 16 U H1' . 7403 1 267 . 1 1 16 16 U H2' H 1 4.517 . . 1 . . . . 16 U H2' . 7403 1 268 . 1 1 16 16 U H3' H 1 4.533 . . 1 . . . . 16 U H3' . 7403 1 269 . 1 1 16 16 U H4' H 1 4.414 . . 1 . . . . 16 U H4' . 7403 1 270 . 1 1 16 16 U H5 H 1 5.654 . . 1 . . . . 16 U H5 . 7403 1 271 . 1 1 16 16 U H5' H 1 4.313 . . 2 . . . . 16 U H5' . 7403 1 272 . 1 1 16 16 U H5'' H 1 4.156 . . 2 . . . . 16 U H5'' . 7403 1 273 . 1 1 16 16 U H6 H 1 7.825 . . 1 . . . . 16 U H6 . 7403 1 274 . 1 1 16 16 U C1' C 13 90.552 . . 1 . . . . 16 U C1' . 7403 1 275 . 1 1 16 16 U C2 C 13 150.295 . . 1 . . . . 16 U C2 . 7403 1 276 . 1 1 16 16 U C2' C 13 72.869 . . 1 . . . . 16 U C2' . 7403 1 277 . 1 1 16 16 U C3' C 13 71.498 . . 1 . . . . 16 U C3' . 7403 1 278 . 1 1 16 16 U C4 C 13 165.761 . . 1 . . . . 16 U C4 . 7403 1 279 . 1 1 16 16 U C4' C 13 80.870 . . 1 . . . . 16 U C4' . 7403 1 280 . 1 1 16 16 U C5 C 13 101.757 . . 1 . . . . 16 U C5 . 7403 1 281 . 1 1 16 16 U C5' C 13 63.874 . . 1 . . . . 16 U C5' . 7403 1 282 . 1 1 16 16 U C6 C 13 140.727 . . 1 . . . . 16 U C6 . 7403 1 283 . 1 1 17 17 G H1 H 1 12.499 . . 1 . . . . 17 G H1 . 7403 1 284 . 1 1 17 17 G H1' H 1 5.686 . . 1 . . . . 17 G H1' . 7403 1 285 . 1 1 17 17 G H2' H 1 4.659 . . 1 . . . . 17 G H2' . 7403 1 286 . 1 1 17 17 G H3' H 1 4.518 . . 1 . . . . 17 G H3' . 7403 1 287 . 1 1 17 17 G H4' H 1 4.452 . . 1 . . . . 17 G H4' . 7403 1 288 . 1 1 17 17 G H8 H 1 7.661 . . 1 . . . . 17 G H8 . 7403 1 289 . 1 1 17 17 G H21 H 1 8.413 . . 2 . . . . 17 G H21 . 7403 1 290 . 1 1 17 17 G H22 H 1 6.051 . . 2 . . . . 17 G H22 . 7403 1 291 . 1 1 17 17 G C1' C 13 89.689 . . 1 . . . . 17 G C1' . 7403 1 292 . 1 1 17 17 G C2' C 13 73.086 . . 1 . . . . 17 G C2' . 7403 1 293 . 1 1 17 17 G C3' C 13 71.169 . . 1 . . . . 17 G C3' . 7403 1 294 . 1 1 17 17 G C4' C 13 80.135 . . 1 . . . . 17 G C4' . 7403 1 295 . 1 1 17 17 G C5 C 13 116.059 . . 1 . . . . 17 G C5 . 7403 1 296 . 1 1 17 17 G C6 C 13 159.999 . . 1 . . . . 17 G C6 . 7403 1 297 . 1 1 17 17 G C8 C 13 134.255 . . 1 . . . . 17 G C8 . 7403 1 298 . 1 1 17 17 G N1 N 15 147.106 . . 1 . . . . 17 G N1 . 7403 1 299 . 1 1 17 17 G N2 N 15 75.010 . . 1 . . . . 17 G N2 . 7403 1 300 . 1 1 17 17 G N7 N 15 234.872 . . 1 . . . . 17 G N7 . 7403 1 301 . 1 1 17 17 G N9 N 15 168.872 . . 1 . . . . 17 G N9 . 7403 1 302 . 1 1 18 18 G H1 H 1 12.859 . . 1 . . . . 18 G H1 . 7403 1 303 . 1 1 18 18 G H1' H 1 5.746 . . 1 . . . . 18 G H1' . 7403 1 304 . 1 1 18 18 G H2' H 1 4.473 . . 1 . . . . 18 G H2' . 7403 1 305 . 1 1 18 18 G H3' H 1 4.410 . . 1 . . . . 18 G H3' . 7403 1 306 . 1 1 18 18 G H4' H 1 4.470 . . 1 . . . . 18 G H4' . 7403 1 307 . 1 1 18 18 G H8 H 1 7.274 . . 1 . . . . 18 G H8 . 7403 1 308 . 1 1 18 18 G C1' C 13 90.767 . . 1 . . . . 18 G C1' . 7403 1 309 . 1 1 18 18 G C2' C 13 72.813 . . 1 . . . . 18 G C2' . 7403 1 310 . 1 1 18 18 G C3' C 13 70.621 . . 1 . . . . 18 G C3' . 7403 1 311 . 1 1 18 18 G C4' C 13 79.745 . . 1 . . . . 18 G C4' . 7403 1 312 . 1 1 18 18 G C5 C 13 116.355 . . 1 . . . . 18 G C5 . 7403 1 313 . 1 1 18 18 G C6 C 13 160.391 . . 1 . . . . 18 G C6 . 7403 1 314 . 1 1 18 18 G C8 C 13 133.974 . . 1 . . . . 18 G C8 . 7403 1 315 . 1 1 18 18 G N1 N 15 148.069 . . 1 . . . . 18 G N1 . 7403 1 316 . 1 1 18 18 G N7 N 15 232.753 . . 1 . . . . 18 G N7 . 7403 1 317 . 1 1 18 18 G N9 N 15 168.198 . . 1 . . . . 18 G N9 . 7403 1 318 . 1 1 19 19 C H1' H 1 5.480 . . 1 . . . . 19 C H1' . 7403 1 319 . 1 1 19 19 C H2' H 1 4.519 . . 1 . . . . 19 C H2' . 7403 1 320 . 1 1 19 19 C H3' H 1 4.498 . . 1 . . . . 19 C H3' . 7403 1 321 . 1 1 19 19 C H4' H 1 4.371 . . 1 . . . . 19 C H4' . 7403 1 322 . 1 1 19 19 C H5 H 1 5.202 . . 1 . . . . 19 C H5 . 7403 1 323 . 1 1 19 19 C H6 H 1 7.655 . . 1 . . . . 19 C H6 . 7403 1 324 . 1 1 19 19 C H41 H 1 8.381 . . 2 . . . . 19 C H41 . 7403 1 325 . 1 1 19 19 C H42 H 1 6.687 . . 2 . . . . 19 C H42 . 7403 1 326 . 1 1 19 19 C C1' C 13 91.307 . . 1 . . . . 19 C C1' . 7403 1 327 . 1 1 19 19 C C2 C 13 156.232 . . 1 . . . . 19 C C2 . 7403 1 328 . 1 1 19 19 C C2' C 13 69.371 . . 1 . . . . 19 C C2' . 7403 1 329 . 1 1 19 19 C C3' C 13 72.864 . . 1 . . . . 19 C C3' . 7403 1 330 . 1 1 19 19 C C4 C 13 165.888 . . 1 . . . . 19 C C4 . 7403 1 331 . 1 1 19 19 C C4' C 13 79.366 . . 1 . . . . 19 C C4' . 7403 1 332 . 1 1 19 19 C C5 C 13 94.793 . . 1 . . . . 19 C C5 . 7403 1 333 . 1 1 19 19 C C6 C 13 138.616 . . 1 . . . . 19 C C6 . 7403 1 334 . 1 1 19 19 C N4 N 15 97.922 . . 1 . . . . 19 C N4 . 7403 1 335 . 1 1 20 20 A H1' H 1 5.909 . . 1 . . . . 20 A H1' . 7403 1 336 . 1 1 20 20 A H2 H 1 7.367 . . 1 . . . . 20 A H2 . 7403 1 337 . 1 1 20 20 A H2' H 1 4.538 . . 1 . . . . 20 A H2' . 7403 1 338 . 1 1 20 20 A H3' H 1 4.629 . . 1 . . . . 20 A H3' . 7403 1 339 . 1 1 20 20 A H4' H 1 4.467 . . 1 . . . . 20 A H4' . 7403 1 340 . 1 1 20 20 A H5' H 1 4.131 . . 2 . . . . 20 A H5' . 7403 1 341 . 1 1 20 20 A H5'' H 1 4.025 . . 2 . . . . 20 A H5'' . 7403 1 342 . 1 1 20 20 A H8 H 1 8.022 . . 1 . . . . 20 A H8 . 7403 1 343 . 1 1 20 20 A C1' C 13 90.444 . . 1 . . . . 20 A C1' . 7403 1 344 . 1 1 20 20 A C2 C 13 150.785 . . 1 . . . . 20 A C2 . 7403 1 345 . 1 1 20 20 A C2' C 13 74.313 . . 1 . . . . 20 A C2' . 7403 1 346 . 1 1 20 20 A C3' C 13 70.230 . . 1 . . . . 20 A C3' . 7403 1 347 . 1 1 20 20 A C4 C 13 146.856 . . 1 . . . . 20 A C4 . 7403 1 348 . 1 1 20 20 A C4' C 13 79.419 . . 1 . . . . 20 A C4' . 7403 1 349 . 1 1 20 20 A C5 C 13 118.224 . . 1 . . . . 20 A C5 . 7403 1 350 . 1 1 20 20 A C5' C 13 65.056 . . 1 . . . . 20 A C5' . 7403 1 351 . 1 1 20 20 A C6 C 13 155.620 . . 1 . . . . 20 A C6 . 7403 1 352 . 1 1 20 20 A C8 C 13 136.928 . . 1 . . . . 20 A C8 . 7403 1 353 . 1 1 20 20 A N1 N 15 221.554 . . 1 . . . . 20 A N1 . 7403 1 354 . 1 1 20 20 A N3 N 15 212.153 . . 1 . . . . 20 A N3 . 7403 1 355 . 1 1 20 20 A N6 N 15 83.976 . . 1 . . . . 20 A N6 . 7403 1 356 . 1 1 20 20 A N7 N 15 229.573 . . 1 . . . . 20 A N7 . 7403 1 357 . 1 1 20 20 A N9 N 15 170.125 . . 1 . . . . 20 A N9 . 7403 1 358 . 1 1 21 21 C H1' H 1 5.362 . . 1 . . . . 21 C H1' . 7403 1 359 . 1 1 21 21 C H2' H 1 4.181 . . 1 . . . . 21 C H2' . 7403 1 360 . 1 1 21 21 C H3' H 1 4.204 . . 1 . . . . 21 C H3' . 7403 1 361 . 1 1 21 21 C H4' H 1 4.370 . . 1 . . . . 21 C H4' . 7403 1 362 . 1 1 21 21 C H5 H 1 5.216 . . 1 . . . . 21 C H5 . 7403 1 363 . 1 1 21 21 C H6 H 1 7.514 . . 1 . . . . 21 C H6 . 7403 1 364 . 1 1 21 21 C H41 H 1 8.219 . . 2 . . . . 21 C H41 . 7403 1 365 . 1 1 21 21 C H42 H 1 6.849 . . 2 . . . . 21 C H42 . 7403 1 366 . 1 1 21 21 C C1' C 13 91.268 . . 1 . . . . 21 C C1' . 7403 1 367 . 1 1 21 21 C C2 C 13 156.155 . . 1 . . . . 21 C C2 . 7403 1 368 . 1 1 21 21 C C2' C 13 73.122 . . 1 . . . . 21 C C2' . 7403 1 369 . 1 1 21 21 C C3' C 13 69.691 . . 1 . . . . 21 C C3' . 7403 1 370 . 1 1 21 21 C C4 C 13 165.430 . . 1 . . . . 21 C C4 . 7403 1 371 . 1 1 21 21 C C4' C 13 79.278 . . 1 . . . . 21 C C4' . 7403 1 372 . 1 1 21 21 C C5 C 13 94.723 . . 1 . . . . 21 C C5 . 7403 1 373 . 1 1 21 21 C C6 C 13 138.405 . . 1 . . . . 21 C C6 . 7403 1 374 . 1 1 21 21 C N4 N 15 98.391 . . 1 . . . . 21 C N4 . 7403 1 375 . 1 1 22 22 U H1' H 1 5.510 . . 1 . . . . 22 U H1' . 7403 1 376 . 1 1 22 22 U H2' H 1 4.464 . . 1 . . . . 22 U H2' . 7403 1 377 . 1 1 22 22 U H3 H 1 13.896 . . 1 . . . . 22 U H3 . 7403 1 378 . 1 1 22 22 U H5 H 1 5.316 . . 1 . . . . 22 U H5 . 7403 1 379 . 1 1 22 22 U H6 H 1 7.870 . . 1 . . . . 22 U H6 . 7403 1 380 . 1 1 22 22 U C1' C 13 91.307 . . 1 . . . . 22 U C1' . 7403 1 381 . 1 1 22 22 U C2 C 13 150.321 . . 1 . . . . 22 U C2 . 7403 1 382 . 1 1 22 22 U C2' C 13 72.710 . . 1 . . . . 22 U C2' . 7403 1 383 . 1 1 22 22 U C4 C 13 166.729 . . 1 . . . . 22 U C4 . 7403 1 384 . 1 1 22 22 U C5 C 13 100.772 . . 1 . . . . 22 U C5 . 7403 1 385 . 1 1 22 22 U C6 C 13 139.742 . . 1 . . . . 22 U C6 . 7403 1 386 . 1 1 22 22 U N3 N 15 162.128 . . 1 . . . . 22 U N3 . 7403 1 387 . 1 1 23 23 C H1' H 1 5.549 . . 1 . . . . 23 C H1' . 7403 1 388 . 1 1 23 23 C H2' H 1 4.123 . . 1 . . . . 23 C H2' . 7403 1 389 . 1 1 23 23 C H3' H 1 4.348 . . 1 . . . . 23 C H3' . 7403 1 390 . 1 1 23 23 C H4' H 1 4.375 . . 1 . . . . 23 C H4' . 7403 1 391 . 1 1 23 23 C H5 H 1 5.608 . . 1 . . . . 23 C H5 . 7403 1 392 . 1 1 23 23 C H5' H 1 4.417 . . 2 . . . . 23 C H5' . 7403 1 393 . 1 1 23 23 C H5'' H 1 4.002 . . 2 . . . . 23 C H5'' . 7403 1 394 . 1 1 23 23 C H6 H 1 7.867 . . 1 . . . . 23 C H6 . 7403 1 395 . 1 1 23 23 C H41 H 1 8.176 . . 2 . . . . 23 C H41 . 7403 1 396 . 1 1 23 23 C H42 H 1 6.773 . . 2 . . . . 23 C H42 . 7403 1 397 . 1 1 23 23 C C1' C 13 91.738 . . 1 . . . . 23 C C1' . 7403 1 398 . 1 1 23 23 C C2 C 13 156.130 . . 1 . . . . 23 C C2 . 7403 1 399 . 1 1 23 23 C C2' C 13 73.195 . . 1 . . . . 23 C C2' . 7403 1 400 . 1 1 23 23 C C3' C 13 70.290 . . 1 . . . . 23 C C3' . 7403 1 401 . 1 1 23 23 C C4 C 13 165.837 . . 1 . . . . 23 C C4 . 7403 1 402 . 1 1 23 23 C C4' C 13 79.360 . . 1 . . . . 23 C C4' . 7403 1 403 . 1 1 23 23 C C5 C 13 94.793 . . 1 . . . . 23 C C5 . 7403 1 404 . 1 1 23 23 C C5' C 13 63.354 . . 1 . . . . 23 C C5' . 7403 1 405 . 1 1 23 23 C C6 C 13 139.460 . . 1 . . . . 23 C C6 . 7403 1 406 . 1 1 23 23 C N4 N 15 97.629 . . 1 . . . . 23 C N4 . 7403 1 407 . 1 1 24 24 C H1' H 1 5.678 . . 1 . . . . 24 C H1' . 7403 1 408 . 1 1 24 24 C H2' H 1 3.942 . . 1 . . . . 24 C H2' . 7403 1 409 . 1 1 24 24 C H3' H 1 4.125 . . 1 . . . . 24 C H3' . 7403 1 410 . 1 1 24 24 C H4' H 1 4.113 . . 1 . . . . 24 C H4' . 7403 1 411 . 1 1 24 24 C H5 H 1 5.437 . . 1 . . . . 24 C H5 . 7403 1 412 . 1 1 24 24 C H6 H 1 7.613 . . 1 . . . . 24 C H6 . 7403 1 413 . 1 1 24 24 C H41 H 1 8.060 . . 2 . . . . 24 C H41 . 7403 1 414 . 1 1 24 24 C H42 H 1 6.777 . . 2 . . . . 24 C H42 . 7403 1 415 . 1 1 24 24 C C1' C 13 90.390 . . 1 . . . . 24 C C1' . 7403 1 416 . 1 1 24 24 C C2 C 13 157.251 . . 1 . . . . 24 C C2 . 7403 1 417 . 1 1 24 24 C C2' C 13 75.032 . . 1 . . . . 24 C C2' . 7403 1 418 . 1 1 24 24 C C3' C 13 67.109 . . 1 . . . . 24 C C3' . 7403 1 419 . 1 1 24 24 C C4 C 13 166.194 . . 1 . . . . 24 C C4 . 7403 1 420 . 1 1 24 24 C C4' C 13 81.010 . . 1 . . . . 24 C C4' . 7403 1 421 . 1 1 24 24 C C5 C 13 95.497 . . 1 . . . . 24 C C5 . 7403 1 422 . 1 1 24 24 C C6 C 13 138.687 . . 1 . . . . 24 C C6 . 7403 1 423 . 1 1 24 24 C N4 N 15 96.633 . . 1 . . . . 24 C N4 . 7403 1 stop_ save_