data_25655 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25655 _Entry.Title ; NMR structure of the II-III-VI three-way junction from the VS ribozyme and identification of magnesium-binding sites using paramagnetic relaxation enhancement ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-09 _Entry.Accession_date 2015-06-09 _Entry.Last_release_date 2015-07-03 _Entry.Original_release_date 2015-07-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Eric Bonneau . . . . 25655 2 Nicolas Girard . . . . 25655 3 Sebastien Lemieux . . . . 25655 4 Pascale Legault . . . . 25655 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25655 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Catalysis . 25655 'Mg2+ ions' . 25655 NMR . 25655 RNA . 25655 'VS ribozyme' . 25655 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25655 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 25655 '15N chemical shifts' 51 25655 '1H chemical shifts' 511 25655 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-16 2015-06-09 update BMRB 'update entry citation' 25655 1 . . 2015-07-03 2015-06-09 original author 'original release' 25655 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25654 'II-III-VI three-way junction from the VS ribozyme' 25655 PDB 2N3R 'BMRB Entry Tracking System' 25655 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25655 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26124200 _Citation.Full_citation . _Citation.Title ; The NMR structure of the II-III-VI three-way junction from the Neurospora VS ribozyme reveals a critical tertiary interaction and provides new insights into the global ribozyme structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 9 _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 1621 _Citation.Page_last 1632 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eric Bonneau . . . . 25655 1 2 Nicolas Girard . . . . 25655 1 3 Sebastien Lemieux . . . . 25655 1 4 Pascale Legault . . . . 25655 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25655 _Assembly.ID 1 _Assembly.Name 'II-III-VI three-way junction from the VS ribozyme in complex with MAGNESIUM' _Assembly.BMRB_code . _Assembly.Number_of_components 22 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (62-MER)' 1 $RNA_(62-MER) A . yes native no no . . . 25655 1 2 'MAGNESIUM ION_1' 2 $entity_MG B . yes native no no . . . 25655 1 3 'MAGNESIUM ION_2' 2 $entity_MG C . yes native no no . . . 25655 1 4 'MAGNESIUM ION_3' 2 $entity_MG D . yes native no no . . . 25655 1 5 'MAGNESIUM ION_4' 2 $entity_MG E . yes native no no . . . 25655 1 6 'MAGNESIUM ION_5' 2 $entity_MG F . yes native no no . . . 25655 1 7 'MAGNESIUM ION_6' 2 $entity_MG G . yes native no no . . . 25655 1 8 'MAGNESIUM ION_7' 2 $entity_MG H . yes native no no . . . 25655 1 9 'MAGNESIUM ION_8' 2 $entity_MG I . yes native no no . . . 25655 1 10 water_1 3 $entity_HOH J . yes native no no . . . 25655 1 11 water_2 3 $entity_HOH K . yes native no no . . . 25655 1 12 water_3 3 $entity_HOH L . yes native no no . . . 25655 1 13 water_4 3 $entity_HOH M . yes native no no . . . 25655 1 14 water_5 3 $entity_HOH N . yes native no no . . . 25655 1 15 water_6 3 $entity_HOH O . yes native no no . . . 25655 1 16 water_7 3 $entity_HOH P . yes native no no . . . 25655 1 17 water_8 3 $entity_HOH Q . yes native no no . . . 25655 1 18 water_9 3 $entity_HOH R . yes native no no . . . 25655 1 19 water_10 3 $entity_HOH S . yes native no no . . . 25655 1 20 water_11 3 $entity_HOH T . yes native no no . . . 25655 1 21 water_12 3 $entity_HOH U . yes native no no . . . 25655 1 22 water_13 3 $entity_HOH V . yes native no no . . . 25655 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(62-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(62-MER) _Entity.Entry_ID 25655 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(62-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCAGCAGGGAACUCACGCUU GCGUAGAGGCUAAGUGCUUC GGCACAGCACAAGCCCGCUG CG ; _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 62 _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 20022.115 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 G . 25655 1 2 2 C . 25655 1 3 3 A . 25655 1 4 4 G . 25655 1 5 5 C . 25655 1 6 6 A . 25655 1 7 7 G . 25655 1 8 8 G . 25655 1 9 9 G . 25655 1 10 10 A . 25655 1 11 11 A . 25655 1 12 12 C . 25655 1 13 13 U . 25655 1 14 14 C . 25655 1 15 15 A . 25655 1 16 16 C . 25655 1 17 17 G . 25655 1 18 18 C . 25655 1 19 19 U . 25655 1 20 20 U . 25655 1 21 21 G . 25655 1 22 22 C . 25655 1 23 23 G . 25655 1 24 24 U . 25655 1 25 25 A . 25655 1 26 26 G . 25655 1 27 27 A . 25655 1 28 28 G . 25655 1 29 29 G . 25655 1 30 30 C . 25655 1 31 31 U . 25655 1 32 32 A . 25655 1 33 33 A . 25655 1 34 34 G . 25655 1 35 35 U . 25655 1 36 36 G . 25655 1 37 37 C . 25655 1 38 38 U . 25655 1 39 39 U . 25655 1 40 40 C . 25655 1 41 41 G . 25655 1 42 42 G . 25655 1 43 43 C . 25655 1 44 44 A . 25655 1 45 45 C . 25655 1 46 46 A . 25655 1 47 47 G . 25655 1 48 48 C . 25655 1 49 49 A . 25655 1 50 50 C . 25655 1 51 51 A . 25655 1 52 52 A . 25655 1 53 53 G . 25655 1 54 54 C . 25655 1 55 55 C . 25655 1 56 56 C . 25655 1 57 57 G . 25655 1 58 58 C . 25655 1 59 59 U . 25655 1 60 60 G . 25655 1 61 61 C . 25655 1 62 62 G . 25655 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 25655 1 . C 2 2 25655 1 . A 3 3 25655 1 . G 4 4 25655 1 . C 5 5 25655 1 . A 6 6 25655 1 . G 7 7 25655 1 . G 8 8 25655 1 . G 9 9 25655 1 . A 10 10 25655 1 . A 11 11 25655 1 . C 12 12 25655 1 . U 13 13 25655 1 . C 14 14 25655 1 . A 15 15 25655 1 . C 16 16 25655 1 . G 17 17 25655 1 . C 18 18 25655 1 . U 19 19 25655 1 . U 20 20 25655 1 . G 21 21 25655 1 . C 22 22 25655 1 . G 23 23 25655 1 . U 24 24 25655 1 . A 25 25 25655 1 . G 26 26 25655 1 . A 27 27 25655 1 . G 28 28 25655 1 . G 29 29 25655 1 . C 30 30 25655 1 . U 31 31 25655 1 . A 32 32 25655 1 . A 33 33 25655 1 . G 34 34 25655 1 . U 35 35 25655 1 . G 36 36 25655 1 . C 37 37 25655 1 . U 38 38 25655 1 . U 39 39 25655 1 . C 40 40 25655 1 . G 41 41 25655 1 . G 42 42 25655 1 . C 43 43 25655 1 . A 44 44 25655 1 . C 45 45 25655 1 . A 46 46 25655 1 . G 47 47 25655 1 . C 48 48 25655 1 . A 49 49 25655 1 . C 50 50 25655 1 . A 51 51 25655 1 . A 52 52 25655 1 . G 53 53 25655 1 . C 54 54 25655 1 . C 55 55 25655 1 . C 56 56 25655 1 . G 57 57 25655 1 . C 58 58 25655 1 . U 59 59 25655 1 . G 60 60 25655 1 . C 61 61 25655 1 . G 62 62 25655 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 25655 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name 'MAGNESIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 25655 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 25655 2 MG 'Three letter code' 25655 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 25655 2 stop_ save_ save_entity_HOH _Entity.Sf_category entity _Entity.Sf_framecode entity_HOH _Entity.Entry_ID 25655 _Entity.ID 3 _Entity.BMRB_code HOH _Entity.Name WATER _Entity.Type water _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HOH _Entity.Nonpolymer_comp_label $chem_comp_HOH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18.015 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WATER BMRB 25655 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID WATER BMRB 25655 3 HOH 'Three letter code' 25655 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HOH $chem_comp_HOH 25655 3 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 25655 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(62-MER) . 5141 organism . 'Neurospora crassa' 'red bread mold' . . Eukaryota Fungi Neurospora crassa . . . . . . . . . . . . . 25655 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 25655 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(62-MER) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pTZ19R-derived pTR-4' . . . 25655 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 25655 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 25655 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 25655 MG [Mg++] SMILES CACTVS 3.341 25655 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 25655 MG [Mg+2] SMILES ACDLabs 10.04 25655 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 25655 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25655 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 25655 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25655 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25655 MG stop_ save_ save_chem_comp_HOH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HOH _Chem_comp.Entry_ID 25655 _Chem_comp.ID HOH _Chem_comp.Provenance PDB _Chem_comp.Name WATER _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HOH _Chem_comp.PDB_code HOH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MTO _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HOH _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/H2O/h1H2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 O' _Chem_comp.Formula_weight 18.015 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1NHE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/H2O/h1H2 InChI InChI 1.03 25655 HOH O SMILES ACDLabs 10.04 25655 HOH O SMILES CACTVS 3.341 25655 HOH O SMILES 'OpenEye OEToolkits' 1.5.0 25655 HOH O SMILES_CANONICAL CACTVS 3.341 25655 HOH O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25655 HOH XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey InChI 1.03 25655 HOH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID oxidane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25655 HOH water 'SYSTEMATIC NAME' ACDLabs 10.04 25655 HOH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O O O O . O . . N 0 . . . 1 no no . . . . -23.107 . 18.401 . -21.626 . -0.064 0.000 0.000 1 . 25655 HOH H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -22.157 . 18.401 . -21.626 . 0.512 0.000 -0.776 2 . 25655 HOH H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -23.424 . 18.401 . -20.730 . 0.512 0.000 0.776 3 . 25655 HOH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O H1 no N 1 . 25655 HOH 2 . SING O H2 no N 2 . 25655 HOH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_J236-15N _Sample.Sf_category sample _Sample.Sf_framecode J236-15N _Sample.Entry_ID 25655 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (62-MER)' [U-15N] . . 1 $RNA_(62-MER) . . 2 . . mM . . . . 25655 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25655 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25655 1 4 NaCacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 25655 1 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25655 1 6 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 25655 1 7 MgCl2 'natural abundance' . . 2 $entity_MG . . 5 . . mM . . . . 25655 1 stop_ save_ save_J236-13C-15N _Sample.Sf_category sample _Sample.Sf_framecode J236-13C-15N _Sample.Entry_ID 25655 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (62-MER)' '[U-13C; U-15N]' . . 1 $RNA_(62-MER) . . 2 . . mM . . . . 25655 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25655 2 3 NaCacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 25655 2 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25655 2 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 25655 2 6 MgCl2 'natural abundance' . . 2 $entity_MG . . 5 . . mM . . . . 25655 2 stop_ save_ save_J236-ATP-13C-15N _Sample.Sf_category sample _Sample.Sf_framecode J236-ATP-13C-15N _Sample.Entry_ID 25655 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (62-MER)' '[U-13C; U-15N]-Ade' . . 1 $RNA_(62-MER) . . 2 . . mM . . . . 25655 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25655 3 3 NaCacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 25655 3 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25655 3 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 25655 3 6 MgCl2 'natural abundance' . . 2 $entity_MG . . 5 . . mM . . . . 25655 3 stop_ save_ save_J236-CTP-13C-15N _Sample.Sf_category sample _Sample.Sf_framecode J236-CTP-13C-15N _Sample.Entry_ID 25655 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (62-MER)' '[U-13C; U-15N]-Cyt' . . 1 $RNA_(62-MER) . . 2 . . mM . . . . 25655 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25655 4 3 NaCacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 25655 4 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25655 4 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 25655 4 6 MgCl2 'natural abundance' . . 2 $entity_MG . . 5 . . mM . . . . 25655 4 stop_ save_ save_J236-GTP-13C-15N _Sample.Sf_category sample _Sample.Sf_framecode J236-GTP-13C-15N _Sample.Entry_ID 25655 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (62-MER)' '[U-13C; U-15N]-Gua' . . 1 $RNA_(62-MER) . . 2.5 . . mM . . . . 25655 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25655 5 3 NaCacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 25655 5 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25655 5 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 25655 5 6 MgCl2 'natural abundance' . . 2 $entity_MG . . 5 . . mM . . . . 25655 5 stop_ save_ save_J236-13C-15N-H2O _Sample.Sf_category sample _Sample.Sf_framecode J236-13C-15N-H2O _Sample.Entry_ID 25655 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (62-MER)' '[U-13C; U-15N]' . . 1 $RNA_(62-MER) . . 2 . . mM . . . . 25655 6 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25655 6 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25655 6 4 NaCacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 25655 6 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25655 6 6 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 25655 6 7 MgCl2 'natural abundance' . . 2 $entity_MG . . 5 . . mM . . . . 25655 6 stop_ save_ ####################### # Sample conditions # ####################### save_Sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_condition_1 _Sample_condition_list.Entry_ID 25655 _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 pH 6.5 . pH 25655 1 pressure 1 . atm 25655 1 temperature 273 . K 25655 1 stop_ save_ save_Sample_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_condition_2 _Sample_condition_list.Entry_ID 25655 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 25655 2 pressure 1 . atm 25655 2 temperature 273 . K 25655 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25655 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25655 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25655 1 processing 25655 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25655 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25655 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25655 2 processing 25655 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 25655 _Software.ID 3 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25655 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25655 3 'data analysis' 25655 3 'peak picking' 25655 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25655 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25655 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25655 4 'structure solution' 25655 4 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 25655 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25655 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 600 . . . 25655 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 25655 _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 '1D 1H watergate' no . . . . . . . . . . 1 $J236-15N isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $J236-15N isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 3 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $J236-15N isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 4 '2D HNN COSY' no . . . . . . . . . . 1 $J236-15N isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $J236-15N isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 6 '2D 1H-15N CPMG-NOESY' no . . . . . . . . . . 1 $J236-15N isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 7 '3D 15N-edited NOESY-HSQC' no . . . . . . . . . . 1 $J236-15N isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 8 '3D 15N/13C-edited NOESY-HSQC' no . . . . . . . . . . 6 $J236-13C-15N-H2O isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 9 '2D G-specific H(NC)-TOCSY-(C)H' no . . . . . . . . . . 6 $J236-13C-15N-H2O isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 10 '2D A-specific H(NC)-TOCSY-(C)H' no . . . . . . . . . . 6 $J236-13C-15N-H2O isotropic . . 1 $Sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 11 '2D 1H-15N MQ-(HC)N(C)H' no . . . . . . . . . . 2 $J236-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $J236-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 13 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $J236-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $J236-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $J236-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 16 '3D 13C-edited NOESY-HSQC' no . . . . . . . . . . 2 $J236-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $J236-ATP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 18 '2D 1H-13C HMQC' no . . . . . . . . . . 3 $J236-ATP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 19 '3D HCCH-COSY' no . . . . . . . . . . 3 $J236-ATP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $J236-ATP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 21 '3D 13C-edited NOESY-HSQC' no . . . . . . . . . . 3 $J236-ATP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 22 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $J236-CTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 23 '2D 1H-13C HMQC' no . . . . . . . . . . 4 $J236-CTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 24 '3D HCCH-COSY' no . . . . . . . . . . 4 $J236-CTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 25 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $J236-CTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 26 '3D 13C-edited NOESY-HSQC' no . . . . . . . . . . 4 $J236-CTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 27 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $J236-GTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 28 '2D 1H-13C HMQC' no . . . . . . . . . . 5 $J236-GTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 29 '3D HCCH-COSY' no . . . . . . . . . . 5 $J236-GTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 30 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $J236-GTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 1 31 '3D 13C-edited NOESY-HSQC' no . . . . . . . . . . 5 $J236-GTP-13C-15N isotropic . . 2 $Sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25655 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 25655 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25655 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25655 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25655 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 25655 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_condition_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 2 '2D 1H-15N HSQC' . . . 25655 1 3 '2D 1H-15N HSQC NH2 only' . . . 25655 1 12 '2D 1H-13C HSQC' . . . 25655 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 12.981 0.02 . 1 . . . A 1 G H1 . 25655 1 2 . 1 1 1 1 G H1' H 1 5.836 0.01 . 1 . . . A 1 G H1' . 25655 1 3 . 1 1 1 1 G H2' H 1 4.748 0.01 . 1 . . . A 1 G H2' . 25655 1 4 . 1 1 1 1 G H3' H 1 4.578 0.01 . 1 . . . A 1 G H3' . 25655 1 5 . 1 1 1 1 G H4' H 1 4.439 0.01 . 1 . . . A 1 G H4' . 25655 1 6 . 1 1 1 1 G H5' H 1 4.136 0.01 . 1 . . . A 1 G H5' . 25655 1 7 . 1 1 1 1 G H5'' H 1 3.957 0.01 . 1 . . . A 1 G H5'' . 25655 1 8 . 1 1 1 1 G H8 H 1 8.125 0.01 . 1 . . . A 1 G H8 . 25655 1 9 . 1 1 1 1 G C1' C 13 93.311 0.20 . 1 . . . A 1 G C1' . 25655 1 10 . 1 1 1 1 G C2' C 13 75.027 0.20 . 1 . . . A 1 G C2' . 25655 1 11 . 1 1 1 1 G C3' C 13 73.764 0.20 . 1 . . . A 1 G C3' . 25655 1 12 . 1 1 1 1 G C4' C 13 84.691 0.20 . 1 . . . A 1 G C4' . 25655 1 13 . 1 1 1 1 G C5' C 13 62.296 0.20 . 1 . . . A 1 G C5' . 25655 1 14 . 1 1 1 1 G C8 C 13 138.555 0.20 . 1 . . . A 1 G C8 . 25655 1 15 . 1 1 1 1 G N1 N 15 148.106 0.10 . 1 . . . A 1 G N1 . 25655 1 16 . 1 1 2 2 C H1' H 1 5.586 0.01 . 1 . . . A 2 C H1' . 25655 1 17 . 1 1 2 2 C H2' H 1 4.570 0.01 . 1 . . . A 2 C H2' . 25655 1 18 . 1 1 2 2 C H3' H 1 4.620 0.01 . 1 . . . A 2 C H3' . 25655 1 19 . 1 1 2 2 C H4' H 1 4.486 0.01 . 1 . . . A 2 C H4' . 25655 1 20 . 1 1 2 2 C H5 H 1 5.276 0.01 . 1 . . . A 2 C H5 . 25655 1 21 . 1 1 2 2 C H5' H 1 4.103 0.01 . 1 . . . A 2 C H5' . 25655 1 22 . 1 1 2 2 C H5'' H 1 4.618 0.01 . 1 . . . A 2 C H5'' . 25655 1 23 . 1 1 2 2 C H6 H 1 7.895 0.01 . 1 . . . A 2 C H6 . 25655 1 24 . 1 1 2 2 C H41 H 1 6.762 0.02 . 1 . . . A 2 C H41 . 25655 1 25 . 1 1 2 2 C H42 H 1 8.480 0.02 . 1 . . . A 2 C H42 . 25655 1 26 . 1 1 2 2 C C1' C 13 93.707 0.20 . 1 . . . A 2 C C1' . 25655 1 27 . 1 1 2 2 C C2' C 13 75.236 0.20 . 1 . . . A 2 C C2' . 25655 1 28 . 1 1 2 2 C C3' C 13 72.067 0.20 . 1 . . . A 2 C C3' . 25655 1 29 . 1 1 2 2 C C4' C 13 81.837 0.20 . 1 . . . A 2 C C4' . 25655 1 30 . 1 1 2 2 C C5 C 13 96.966 0.20 . 1 . . . A 2 C C5 . 25655 1 31 . 1 1 2 2 C C5' C 13 64.175 0.20 . 1 . . . A 2 C C5' . 25655 1 32 . 1 1 2 2 C C6 C 13 141.507 0.20 . 1 . . . A 2 C C6 . 25655 1 33 . 1 1 2 2 C N4 N 15 98.840 0.10 . 1 . . . A 2 C N4 . 25655 1 34 . 1 1 3 3 A H1' H 1 5.927 0.01 . 1 . . . A 3 A H1' . 25655 1 35 . 1 1 3 3 A H2 H 1 7.045 0.01 . 1 . . . A 3 A H2 . 25655 1 36 . 1 1 3 3 A H2' H 1 4.679 0.01 . 1 . . . A 3 A H2' . 25655 1 37 . 1 1 3 3 A H3' H 1 4.636 0.01 . 1 . . . A 3 A H3' . 25655 1 38 . 1 1 3 3 A H4' H 1 4.476 0.01 . 1 . . . A 3 A H4' . 25655 1 39 . 1 1 3 3 A H5' H 1 4.654 0.01 . 1 . . . A 3 A H5' . 25655 1 40 . 1 1 3 3 A H5'' H 1 4.159 0.01 . 1 . . . A 3 A H5'' . 25655 1 41 . 1 1 3 3 A H8 H 1 7.988 0.01 . 1 . . . A 3 A H8 . 25655 1 42 . 1 1 3 3 A C1' C 13 93.063 0.20 . 1 . . . A 3 A C1' . 25655 1 43 . 1 1 3 3 A C2 C 13 152.550 0.20 . 1 . . . A 3 A C2 . 25655 1 44 . 1 1 3 3 A C2' C 13 75.622 0.20 . 1 . . . A 3 A C2' . 25655 1 45 . 1 1 3 3 A C3' C 13 72.130 0.20 . 1 . . . A 3 A C3' . 25655 1 46 . 1 1 3 3 A C4' C 13 81.872 0.20 . 1 . . . A 3 A C4' . 25655 1 47 . 1 1 3 3 A C5' C 13 64.926 0.20 . 1 . . . A 3 A C5' . 25655 1 48 . 1 1 3 3 A C8 C 13 139.277 0.20 . 1 . . . A 3 A C8 . 25655 1 49 . 1 1 4 4 G H1 H 1 13.431 0.02 . 1 . . . A 4 G H1 . 25655 1 50 . 1 1 4 4 G H1' H 1 5.596 0.01 . 1 . . . A 4 G H1' . 25655 1 51 . 1 1 4 4 G H2' H 1 4.302 0.01 . 1 . . . A 4 G H2' . 25655 1 52 . 1 1 4 4 G H3' H 1 4.453 0.01 . 1 . . . A 4 G H3' . 25655 1 53 . 1 1 4 4 G H4' H 1 4.260 0.01 . 1 . . . A 4 G H4' . 25655 1 54 . 1 1 4 4 G H5' H 1 4.525 0.01 . 1 . . . A 4 G H5' . 25655 1 55 . 1 1 4 4 G H5'' H 1 4.138 0.01 . 1 . . . A 4 G H5'' . 25655 1 56 . 1 1 4 4 G H8 H 1 7.221 0.01 . 1 . . . A 4 G H8 . 25655 1 57 . 1 1 4 4 G C1' C 13 92.895 0.20 . 1 . . . A 4 G C1' . 25655 1 58 . 1 1 4 4 G C2' C 13 75.238 0.20 . 1 . . . A 4 G C2' . 25655 1 59 . 1 1 4 4 G C3' C 13 72.508 0.20 . 1 . . . A 4 G C3' . 25655 1 60 . 1 1 4 4 G C4' C 13 82.357 0.20 . 1 . . . A 4 G C4' . 25655 1 61 . 1 1 4 4 G C5' C 13 64.937 0.20 . 1 . . . A 4 G C5' . 25655 1 62 . 1 1 4 4 G C8 C 13 135.456 0.20 . 1 . . . A 4 G C8 . 25655 1 63 . 1 1 4 4 G N1 N 15 147.961 0.10 . 1 . . . A 4 G N1 . 25655 1 64 . 1 1 5 5 C H1' H 1 5.713 0.01 . 1 . . . A 5 C H1' . 25655 1 65 . 1 1 5 5 C H2' H 1 4.271 0.01 . 1 . . . A 5 C H2' . 25655 1 66 . 1 1 5 5 C H3' H 1 4.725 0.01 . 1 . . . A 5 C H3' . 25655 1 67 . 1 1 5 5 C H4' H 1 4.462 0.01 . 1 . . . A 5 C H4' . 25655 1 68 . 1 1 5 5 C H5 H 1 5.132 0.01 . 1 . . . A 5 C H5 . 25655 1 69 . 1 1 5 5 C H6 H 1 7.593 0.01 . 1 . . . A 5 C H6 . 25655 1 70 . 1 1 5 5 C H41 H 1 6.482 0.02 . 1 . . . A 5 C H41 . 25655 1 71 . 1 1 5 5 C H42 H 1 8.419 0.02 . 1 . . . A 5 C H42 . 25655 1 72 . 1 1 5 5 C C1' C 13 92.311 0.20 . 1 . . . A 5 C C1' . 25655 1 73 . 1 1 5 5 C C2' C 13 78.071 0.20 . 1 . . . A 5 C C2' . 25655 1 74 . 1 1 5 5 C C3' C 13 72.724 0.20 . 1 . . . A 5 C C3' . 25655 1 75 . 1 1 5 5 C C4' C 13 81.651 0.20 . 1 . . . A 5 C C4' . 25655 1 76 . 1 1 5 5 C C5 C 13 97.375 0.20 . 1 . . . A 5 C C5 . 25655 1 77 . 1 1 5 5 C C6 C 13 140.879 0.20 . 1 . . . A 5 C C6 . 25655 1 78 . 1 1 5 5 C N4 N 15 97.860 0.10 . 1 . . . A 5 C N4 . 25655 1 79 . 1 1 6 6 A H1' H 1 7.156 0.01 . 1 . . . A 6 A H1' . 25655 1 80 . 1 1 6 6 A H2 H 1 6.953 0.01 . 1 . . . A 6 A H2 . 25655 1 81 . 1 1 6 6 A H2' H 1 4.621 0.01 . 1 . . . A 6 A H2' . 25655 1 82 . 1 1 6 6 A H3' H 1 5.210 0.01 . 1 . . . A 6 A H3' . 25655 1 83 . 1 1 6 6 A H4' H 1 4.460 0.01 . 1 . . . A 6 A H4' . 25655 1 84 . 1 1 6 6 A H5' H 1 4.309 0.01 . 1 . . . A 6 A H5' . 25655 1 85 . 1 1 6 6 A H5'' H 1 4.259 0.01 . 1 . . . A 6 A H5'' . 25655 1 86 . 1 1 6 6 A H8 H 1 8.355 0.01 . 1 . . . A 6 A H8 . 25655 1 87 . 1 1 6 6 A C1' C 13 90.374 0.20 . 1 . . . A 6 A C1' . 25655 1 88 . 1 1 6 6 A C2 C 13 152.739 0.20 . 1 . . . A 6 A C2 . 25655 1 89 . 1 1 6 6 A C2' C 13 77.738 0.20 . 1 . . . A 6 A C2' . 25655 1 90 . 1 1 6 6 A C3' C 13 73.870 0.20 . 1 . . . A 6 A C3' . 25655 1 91 . 1 1 6 6 A C4' C 13 81.832 0.20 . 1 . . . A 6 A C4' . 25655 1 92 . 1 1 6 6 A C5' C 13 65.731 0.20 . 1 . . . A 6 A C5' . 25655 1 93 . 1 1 6 6 A C8 C 13 143.029 0.20 . 1 . . . A 6 A C8 . 25655 1 94 . 1 1 7 7 G H1 H 1 12.237 0.02 . 1 . . . A 7 G H1 . 25655 1 95 . 1 1 7 7 G H1' H 1 5.863 0.01 . 1 . . . A 7 G H1' . 25655 1 96 . 1 1 7 7 G H2' H 1 4.505 0.01 . 1 . . . A 7 G H2' . 25655 1 97 . 1 1 7 7 G H3' H 1 4.255 0.01 . 1 . . . A 7 G H3' . 25655 1 98 . 1 1 7 7 G H8 H 1 7.543 0.01 . 1 . . . A 7 G H8 . 25655 1 99 . 1 1 7 7 G C1' C 13 93.290 0.20 . 1 . . . A 7 G C1' . 25655 1 100 . 1 1 7 7 G C2' C 13 74.456 0.20 . 1 . . . A 7 G C2' . 25655 1 101 . 1 1 7 7 G C3' C 13 75.237 0.20 . 1 . . . A 7 G C3' . 25655 1 102 . 1 1 7 7 G C8 C 13 136.608 0.20 . 1 . . . A 7 G C8 . 25655 1 103 . 1 1 7 7 G N1 N 15 146.554 0.10 . 1 . . . A 7 G N1 . 25655 1 104 . 1 1 8 8 G H1 H 1 12.602 0.02 . 1 . . . A 8 G H1 . 25655 1 105 . 1 1 8 8 G H1' H 1 5.739 0.01 . 1 . . . A 8 G H1' . 25655 1 106 . 1 1 8 8 G H2' H 1 4.588 0.01 . 1 . . . A 8 G H2' . 25655 1 107 . 1 1 8 8 G H3' H 1 4.316 0.01 . 1 . . . A 8 G H3' . 25655 1 108 . 1 1 8 8 G H8 H 1 7.087 0.01 . 1 . . . A 8 G H8 . 25655 1 109 . 1 1 8 8 G C1' C 13 92.643 0.20 . 1 . . . A 8 G C1' . 25655 1 110 . 1 1 8 8 G C2' C 13 75.233 0.20 . 1 . . . A 8 G C2' . 25655 1 111 . 1 1 8 8 G C3' C 13 73.167 0.20 . 1 . . . A 8 G C3' . 25655 1 112 . 1 1 8 8 G C8 C 13 136.275 0.20 . 1 . . . A 8 G C8 . 25655 1 113 . 1 1 8 8 G N1 N 15 147.162 0.10 . 1 . . . A 8 G N1 . 25655 1 114 . 1 1 9 9 G H1 H 1 12.595 0.02 . 1 . . . A 9 G H1 . 25655 1 115 . 1 1 9 9 G H1' H 1 5.594 0.01 . 1 . . . A 9 G H1' . 25655 1 116 . 1 1 9 9 G H2' H 1 4.259 0.01 . 1 . . . A 9 G H2' . 25655 1 117 . 1 1 9 9 G H3' H 1 4.453 0.01 . 1 . . . A 9 G H3' . 25655 1 118 . 1 1 9 9 G H8 H 1 7.069 0.01 . 1 . . . A 9 G H8 . 25655 1 119 . 1 1 9 9 G C1' C 13 93.703 0.20 . 1 . . . A 9 G C1' . 25655 1 120 . 1 1 9 9 G C2' C 13 74.843 0.20 . 1 . . . A 9 G C2' . 25655 1 121 . 1 1 9 9 G C3' C 13 72.505 0.20 . 1 . . . A 9 G C3' . 25655 1 122 . 1 1 9 9 G C8 C 13 136.621 0.20 . 1 . . . A 9 G C8 . 25655 1 123 . 1 1 9 9 G N1 N 15 147.201 0.10 . 1 . . . A 9 G N1 . 25655 1 124 . 1 1 10 10 A H1' H 1 6.050 0.01 . 1 . . . A 10 A H1' . 25655 1 125 . 1 1 10 10 A H2 H 1 7.613 0.01 . 1 . . . A 10 A H2 . 25655 1 126 . 1 1 10 10 A H2' H 1 4.144 0.01 . 1 . . . A 10 A H2' . 25655 1 127 . 1 1 10 10 A H3' H 1 4.853 0.01 . 1 . . . A 10 A H3' . 25655 1 128 . 1 1 10 10 A H4' H 1 4.647 0.01 . 1 . . . A 10 A H4' . 25655 1 129 . 1 1 10 10 A H5' H 1 4.346 0.01 . 1 . . . A 10 A H5' . 25655 1 130 . 1 1 10 10 A H5'' H 1 4.211 0.01 . 1 . . . A 10 A H5'' . 25655 1 131 . 1 1 10 10 A H8 H 1 8.291 0.01 . 1 . . . A 10 A H8 . 25655 1 132 . 1 1 10 10 A H61 H 1 6.526 0.02 . 1 . . . A 10 A H61 . 25655 1 133 . 1 1 10 10 A C1' C 13 93.099 0.20 . 1 . . . A 10 A C1' . 25655 1 134 . 1 1 10 10 A C2 C 13 154.144 0.20 . 1 . . . A 10 A C2 . 25655 1 135 . 1 1 10 10 A C2' C 13 76.210 0.20 . 1 . . . A 10 A C2' . 25655 1 136 . 1 1 10 10 A C3' C 13 74.654 0.20 . 1 . . . A 10 A C3' . 25655 1 137 . 1 1 10 10 A C4' C 13 82.605 0.20 . 1 . . . A 10 A C4' . 25655 1 138 . 1 1 10 10 A C5' C 13 67.502 0.20 . 1 . . . A 10 A C5' . 25655 1 139 . 1 1 10 10 A C8 C 13 140.514 0.20 . 1 . . . A 10 A C8 . 25655 1 140 . 1 1 10 10 A N6 N 15 71.934 0.10 . 1 . . . A 10 A N6 . 25655 1 141 . 1 1 11 11 A H1' H 1 6.324 0.01 . 1 . . . A 11 A H1' . 25655 1 142 . 1 1 11 11 A H2 H 1 8.132 0.01 . 1 . . . A 11 A H2 . 25655 1 143 . 1 1 11 11 A H2' H 1 5.328 0.01 . 1 . . . A 11 A H2' . 25655 1 144 . 1 1 11 11 A H3' H 1 4.664 0.01 . 1 . . . A 11 A H3' . 25655 1 145 . 1 1 11 11 A H4' H 1 4.768 0.01 . 1 . . . A 11 A H4' . 25655 1 146 . 1 1 11 11 A H5' H 1 4.388 0.01 . 1 . . . A 11 A H5' . 25655 1 147 . 1 1 11 11 A H5'' H 1 4.352 0.01 . 1 . . . A 11 A H5'' . 25655 1 148 . 1 1 11 11 A H8 H 1 8.828 0.01 . 1 . . . A 11 A H8 . 25655 1 149 . 1 1 11 11 A C1' C 13 88.467 0.20 . 1 . . . A 11 A C1' . 25655 1 150 . 1 1 11 11 A C2 C 13 155.393 0.20 . 1 . . . A 11 A C2 . 25655 1 151 . 1 1 11 11 A C2' C 13 76.046 0.20 . 1 . . . A 11 A C2' . 25655 1 152 . 1 1 11 11 A C3' C 13 78.722 0.20 . 1 . . . A 11 A C3' . 25655 1 153 . 1 1 11 11 A C4' C 13 87.468 0.20 . 1 . . . A 11 A C4' . 25655 1 154 . 1 1 11 11 A C5' C 13 68.428 0.20 . 1 . . . A 11 A C5' . 25655 1 155 . 1 1 11 11 A C8 C 13 143.312 0.20 . 1 . . . A 11 A C8 . 25655 1 156 . 1 1 12 12 C H1' H 1 5.542 0.01 . 1 . . . A 12 C H1' . 25655 1 157 . 1 1 12 12 C H2' H 1 4.894 0.01 . 1 . . . A 12 C H2' . 25655 1 158 . 1 1 12 12 C H3' H 1 4.839 0.01 . 1 . . . A 12 C H3' . 25655 1 159 . 1 1 12 12 C H4' H 1 4.442 0.01 . 1 . . . A 12 C H4' . 25655 1 160 . 1 1 12 12 C H5 H 1 5.998 0.01 . 1 . . . A 12 C H5 . 25655 1 161 . 1 1 12 12 C H5' H 1 4.314 0.01 . 1 . . . A 12 C H5' . 25655 1 162 . 1 1 12 12 C H5'' H 1 4.653 0.01 . 1 . . . A 12 C H5'' . 25655 1 163 . 1 1 12 12 C H6 H 1 8.413 0.01 . 1 . . . A 12 C H6 . 25655 1 164 . 1 1 12 12 C H41 H 1 7.370 0.02 . 1 . . . A 12 C H41 . 25655 1 165 . 1 1 12 12 C H42 H 1 8.595 0.02 . 1 . . . A 12 C H42 . 25655 1 166 . 1 1 12 12 C C1' C 13 94.873 0.20 . 1 . . . A 12 C C1' . 25655 1 167 . 1 1 12 12 C C2' C 13 75.222 0.20 . 1 . . . A 12 C C2' . 25655 1 168 . 1 1 12 12 C C3' C 13 72.506 0.20 . 1 . . . A 12 C C3' . 25655 1 169 . 1 1 12 12 C C4' C 13 85.116 0.20 . 1 . . . A 12 C C4' . 25655 1 170 . 1 1 12 12 C C5 C 13 97.457 0.20 . 1 . . . A 12 C C5 . 25655 1 171 . 1 1 12 12 C C5' C 13 64.954 0.20 . 1 . . . A 12 C C5' . 25655 1 172 . 1 1 12 12 C C6 C 13 143.226 0.20 . 1 . . . A 12 C C6 . 25655 1 173 . 1 1 12 12 C N4 N 15 97.178 0.10 . 1 . . . A 12 C N4 . 25655 1 174 . 1 1 13 13 U H1' H 1 5.908 0.01 . 1 . . . A 13 U H1' . 25655 1 175 . 1 1 13 13 U H2' H 1 4.780 0.01 . 1 . . . A 13 U H2' . 25655 1 176 . 1 1 13 13 U H3 H 1 15.177 0.02 . 1 . . . A 13 U H3 . 25655 1 177 . 1 1 13 13 U H3' H 1 4.653 0.01 . 1 . . . A 13 U H3' . 25655 1 178 . 1 1 13 13 U H4' H 1 4.707 0.01 . 1 . . . A 13 U H4' . 25655 1 179 . 1 1 13 13 U H5 H 1 5.746 0.01 . 1 . . . A 13 U H5 . 25655 1 180 . 1 1 13 13 U H6 H 1 8.243 0.01 . 1 . . . A 13 U H6 . 25655 1 181 . 1 1 13 13 U C1' C 13 91.719 0.20 . 1 . . . A 13 U C1' . 25655 1 182 . 1 1 13 13 U C2' C 13 74.848 0.20 . 1 . . . A 13 U C2' . 25655 1 183 . 1 1 13 13 U C3' C 13 71.785 0.20 . 1 . . . A 13 U C3' . 25655 1 184 . 1 1 13 13 U C4' C 13 82.403 0.20 . 1 . . . A 13 U C4' . 25655 1 185 . 1 1 13 13 U C5 C 13 102.634 0.20 . 1 . . . A 13 U C5 . 25655 1 186 . 1 1 13 13 U C6 C 13 142.674 0.20 . 1 . . . A 13 U C6 . 25655 1 187 . 1 1 13 13 U N3 N 15 164.103 0.10 . 1 . . . A 13 U N3 . 25655 1 188 . 1 1 14 14 C H1' H 1 5.212 0.01 . 1 . . . A 14 C H1' . 25655 1 189 . 1 1 14 14 C H2' H 1 4.210 0.01 . 1 . . . A 14 C H2' . 25655 1 190 . 1 1 14 14 C H3' H 1 4.375 0.01 . 1 . . . A 14 C H3' . 25655 1 191 . 1 1 14 14 C H4' H 1 3.376 0.01 . 1 . . . A 14 C H4' . 25655 1 192 . 1 1 14 14 C H5 H 1 5.684 0.01 . 1 . . . A 14 C H5 . 25655 1 193 . 1 1 14 14 C H5' H 1 4.072 0.01 . 1 . . . A 14 C H5' . 25655 1 194 . 1 1 14 14 C H5'' H 1 4.548 0.01 . 1 . . . A 14 C H5'' . 25655 1 195 . 1 1 14 14 C H6 H 1 7.890 0.01 . 1 . . . A 14 C H6 . 25655 1 196 . 1 1 14 14 C H41 H 1 6.892 0.02 . 1 . . . A 14 C H41 . 25655 1 197 . 1 1 14 14 C H42 H 1 8.117 0.02 . 1 . . . A 14 C H42 . 25655 1 198 . 1 1 14 14 C C1' C 13 93.768 0.20 . 1 . . . A 14 C C1' . 25655 1 199 . 1 1 14 14 C C2' C 13 74.646 0.20 . 1 . . . A 14 C C2' . 25655 1 200 . 1 1 14 14 C C3' C 13 72.303 0.20 . 1 . . . A 14 C C3' . 25655 1 201 . 1 1 14 14 C C4' C 13 80.868 0.20 . 1 . . . A 14 C C4' . 25655 1 202 . 1 1 14 14 C C5 C 13 97.384 0.20 . 1 . . . A 14 C C5 . 25655 1 203 . 1 1 14 14 C C5' C 13 64.153 0.20 . 1 . . . A 14 C C5' . 25655 1 204 . 1 1 14 14 C C6 C 13 141.491 0.20 . 1 . . . A 14 C C6 . 25655 1 205 . 1 1 14 14 C N4 N 15 98.528 0.10 . 1 . . . A 14 C N4 . 25655 1 206 . 1 1 15 15 A H1' H 1 5.750 0.01 . 1 . . . A 15 A H1' . 25655 1 207 . 1 1 15 15 A H2 H 1 7.157 0.01 . 1 . . . A 15 A H2 . 25655 1 208 . 1 1 15 15 A H2' H 1 4.382 0.01 . 1 . . . A 15 A H2' . 25655 1 209 . 1 1 15 15 A H3' H 1 4.625 0.01 . 1 . . . A 15 A H3' . 25655 1 210 . 1 1 15 15 A H4' H 1 4.319 0.01 . 1 . . . A 15 A H4' . 25655 1 211 . 1 1 15 15 A H5' H 1 4.380 0.01 . 1 . . . A 15 A H5' . 25655 1 212 . 1 1 15 15 A H5'' H 1 3.982 0.01 . 1 . . . A 15 A H5'' . 25655 1 213 . 1 1 15 15 A H8 H 1 7.965 0.01 . 1 . . . A 15 A H8 . 25655 1 214 . 1 1 15 15 A C1' C 13 92.737 0.20 . 1 . . . A 15 A C1' . 25655 1 215 . 1 1 15 15 A C2 C 13 153.655 0.20 . 1 . . . A 15 A C2 . 25655 1 216 . 1 1 15 15 A C2' C 13 75.420 0.20 . 1 . . . A 15 A C2' . 25655 1 217 . 1 1 15 15 A C3' C 13 72.121 0.20 . 1 . . . A 15 A C3' . 25655 1 218 . 1 1 15 15 A C4' C 13 81.823 0.20 . 1 . . . A 15 A C4' . 25655 1 219 . 1 1 15 15 A C5' C 13 64.161 0.20 . 1 . . . A 15 A C5' . 25655 1 220 . 1 1 15 15 A C8 C 13 139.249 0.20 . 1 . . . A 15 A C8 . 25655 1 221 . 1 1 16 16 C H1' H 1 5.206 0.01 . 1 . . . A 16 C H1' . 25655 1 222 . 1 1 16 16 C H2' H 1 4.043 0.01 . 1 . . . A 16 C H2' . 25655 1 223 . 1 1 16 16 C H3' H 1 4.418 0.01 . 1 . . . A 16 C H3' . 25655 1 224 . 1 1 16 16 C H4' H 1 4.294 0.01 . 1 . . . A 16 C H4' . 25655 1 225 . 1 1 16 16 C H5 H 1 5.277 0.01 . 1 . . . A 16 C H5 . 25655 1 226 . 1 1 16 16 C H5' H 1 4.110 0.01 . 1 . . . A 16 C H5' . 25655 1 227 . 1 1 16 16 C H5'' H 1 4.503 0.01 . 1 . . . A 16 C H5'' . 25655 1 228 . 1 1 16 16 C H6 H 1 7.478 0.01 . 1 . . . A 16 C H6 . 25655 1 229 . 1 1 16 16 C H41 H 1 6.503 0.02 . 1 . . . A 16 C H41 . 25655 1 230 . 1 1 16 16 C H42 H 1 8.129 0.02 . 1 . . . A 16 C H42 . 25655 1 231 . 1 1 16 16 C C1' C 13 93.298 0.20 . 1 . . . A 16 C C1' . 25655 1 232 . 1 1 16 16 C C2' C 13 75.235 0.20 . 1 . . . A 16 C C2' . 25655 1 233 . 1 1 16 16 C C3' C 13 71.747 0.20 . 1 . . . A 16 C C3' . 25655 1 234 . 1 1 16 16 C C4' C 13 81.458 0.20 . 1 . . . A 16 C C4' . 25655 1 235 . 1 1 16 16 C C5 C 13 97.573 0.20 . 1 . . . A 16 C C5 . 25655 1 236 . 1 1 16 16 C C5' C 13 64.182 0.20 . 1 . . . A 16 C C5' . 25655 1 237 . 1 1 16 16 C C6 C 13 139.922 0.20 . 1 . . . A 16 C C6 . 25655 1 238 . 1 1 16 16 C N4 N 15 97.648 0.10 . 1 . . . A 16 C N4 . 25655 1 239 . 1 1 17 17 G H1 H 1 12.771 0.02 . 1 . . . A 17 G H1 . 25655 1 240 . 1 1 17 17 G H1' H 1 6.017 0.01 . 1 . . . A 17 G H1' . 25655 1 241 . 1 1 17 17 G H2' H 1 4.678 0.01 . 1 . . . A 17 G H2' . 25655 1 242 . 1 1 17 17 G H3' H 1 4.961 0.01 . 1 . . . A 17 G H3' . 25655 1 243 . 1 1 17 17 G H4' H 1 4.439 0.01 . 1 . . . A 17 G H4' . 25655 1 244 . 1 1 17 17 G H5' H 1 4.413 0.01 . 1 . . . A 17 G H5' . 25655 1 245 . 1 1 17 17 G H5'' H 1 4.079 0.01 . 1 . . . A 17 G H5'' . 25655 1 246 . 1 1 17 17 G H8 H 1 7.521 0.01 . 1 . . . A 17 G H8 . 25655 1 247 . 1 1 17 17 G C1' C 13 91.492 0.20 . 1 . . . A 17 G C1' . 25655 1 248 . 1 1 17 17 G C2' C 13 84.743 0.20 . 1 . . . A 17 G C2' . 25655 1 249 . 1 1 17 17 G C3' C 13 78.360 0.20 . 1 . . . A 17 G C3' . 25655 1 250 . 1 1 17 17 G C4' C 13 85.916 0.20 . 1 . . . A 17 G C4' . 25655 1 251 . 1 1 17 17 G C5' C 13 65.922 0.20 . 1 . . . A 17 G C5' . 25655 1 252 . 1 1 17 17 G C8 C 13 138.006 0.20 . 1 . . . A 17 G C8 . 25655 1 253 . 1 1 17 17 G N1 N 15 146.759 0.10 . 1 . . . A 17 G N1 . 25655 1 254 . 1 1 18 18 C H1' H 1 5.820 0.01 . 1 . . . A 18 C H1' . 25655 1 255 . 1 1 18 18 C H2' H 1 4.196 0.01 . 1 . . . A 18 C H2' . 25655 1 256 . 1 1 18 18 C H3' H 1 4.643 0.01 . 1 . . . A 18 C H3' . 25655 1 257 . 1 1 18 18 C H4' H 1 4.440 0.01 . 1 . . . A 18 C H4' . 25655 1 258 . 1 1 18 18 C H5 H 1 5.535 0.01 . 1 . . . A 18 C H5 . 25655 1 259 . 1 1 18 18 C H5' H 1 4.011 0.01 . 1 . . . A 18 C H5' . 25655 1 260 . 1 1 18 18 C H5'' H 1 4.388 0.01 . 1 . . . A 18 C H5'' . 25655 1 261 . 1 1 18 18 C H6 H 1 7.500 0.01 . 1 . . . A 18 C H6 . 25655 1 262 . 1 1 18 18 C H42 H 1 7.003 0.02 . 1 . . . A 18 C H42 . 25655 1 263 . 1 1 18 18 C C1' C 13 89.535 0.20 . 1 . . . A 18 C C1' . 25655 1 264 . 1 1 18 18 C C2' C 13 75.812 0.20 . 1 . . . A 18 C C2' . 25655 1 265 . 1 1 18 18 C C3' C 13 72.114 0.20 . 1 . . . A 18 C C3' . 25655 1 266 . 1 1 18 18 C C4' C 13 81.760 0.20 . 1 . . . A 18 C C4' . 25655 1 267 . 1 1 18 18 C C5 C 13 99.124 0.20 . 1 . . . A 18 C C5 . 25655 1 268 . 1 1 18 18 C C5' C 13 67.067 0.20 . 1 . . . A 18 C C5' . 25655 1 269 . 1 1 18 18 C C6 C 13 141.861 0.20 . 1 . . . A 18 C C6 . 25655 1 270 . 1 1 18 18 C N4 N 15 95.751 0.10 . 1 . . . A 18 C N4 . 25655 1 271 . 1 1 19 19 U H1' H 1 6.108 0.01 . 1 . . . A 19 U H1' . 25655 1 272 . 1 1 19 19 U H2' H 1 4.486 0.01 . 1 . . . A 19 U H2' . 25655 1 273 . 1 1 19 19 U H3 H 1 11.221 0.02 . 1 . . . A 19 U H3 . 25655 1 274 . 1 1 19 19 U H3' H 1 4.559 0.01 . 1 . . . A 19 U H3' . 25655 1 275 . 1 1 19 19 U H4' H 1 4.365 0.01 . 1 . . . A 19 U H4' . 25655 1 276 . 1 1 19 19 U H5 H 1 6.010 0.01 . 1 . . . A 19 U H5 . 25655 1 277 . 1 1 19 19 U H5' H 1 4.073 0.01 . 1 . . . A 19 U H5' . 25655 1 278 . 1 1 19 19 U H5'' H 1 4.209 0.01 . 1 . . . A 19 U H5'' . 25655 1 279 . 1 1 19 19 U H6 H 1 8.076 0.01 . 1 . . . A 19 U H6 . 25655 1 280 . 1 1 19 19 U C1' C 13 89.265 0.20 . 1 . . . A 19 U C1' . 25655 1 281 . 1 1 19 19 U C2' C 13 76.389 0.20 . 1 . . . A 19 U C2' . 25655 1 282 . 1 1 19 19 U C3' C 13 79.899 0.20 . 1 . . . A 19 U C3' . 25655 1 283 . 1 1 19 19 U C4' C 13 86.872 0.20 . 1 . . . A 19 U C4' . 25655 1 284 . 1 1 19 19 U C5 C 13 105.519 0.20 . 1 . . . A 19 U C5 . 25655 1 285 . 1 1 19 19 U C5' C 13 67.844 0.20 . 1 . . . A 19 U C5' . 25655 1 286 . 1 1 19 19 U C6 C 13 144.339 0.20 . 1 . . . A 19 U C6 . 25655 1 287 . 1 1 19 19 U N3 N 15 157.756 0.10 . 1 . . . A 19 U N3 . 25655 1 288 . 1 1 20 20 U H1' H 1 4.969 0.01 . 1 . . . A 20 U H1' . 25655 1 289 . 1 1 20 20 U H2' H 1 3.985 0.01 . 1 . . . A 20 U H2' . 25655 1 290 . 1 1 20 20 U H3 H 1 10.328 0.02 . 1 . . . A 20 U H3 . 25655 1 291 . 1 1 20 20 U H3' H 1 4.467 0.01 . 1 . . . A 20 U H3' . 25655 1 292 . 1 1 20 20 U H4' H 1 4.296 0.01 . 1 . . . A 20 U H4' . 25655 1 293 . 1 1 20 20 U H5 H 1 5.348 0.01 . 1 . . . A 20 U H5 . 25655 1 294 . 1 1 20 20 U H5' H 1 3.896 0.01 . 1 . . . A 20 U H5' . 25655 1 295 . 1 1 20 20 U H5'' H 1 4.054 0.01 . 1 . . . A 20 U H5'' . 25655 1 296 . 1 1 20 20 U H6 H 1 7.746 0.01 . 1 . . . A 20 U H6 . 25655 1 297 . 1 1 20 20 U C1' C 13 89.416 0.20 . 1 . . . A 20 U C1' . 25655 1 298 . 1 1 20 20 U C2' C 13 77.726 0.20 . 1 . . . A 20 U C2' . 25655 1 299 . 1 1 20 20 U C3' C 13 80.465 0.20 . 1 . . . A 20 U C3' . 25655 1 300 . 1 1 20 20 U C4' C 13 85.331 0.20 . 1 . . . A 20 U C4' . 25655 1 301 . 1 1 20 20 U C5 C 13 104.370 0.20 . 1 . . . A 20 U C5 . 25655 1 302 . 1 1 20 20 U C5' C 13 68.405 0.20 . 1 . . . A 20 U C5' . 25655 1 303 . 1 1 20 20 U C6 C 13 144.205 0.20 . 1 . . . A 20 U C6 . 25655 1 304 . 1 1 20 20 U N3 N 15 155.320 0.10 . 1 . . . A 20 U N3 . 25655 1 305 . 1 1 21 21 G H1 H 1 13.192 0.02 . 1 . . . A 21 G H1 . 25655 1 306 . 1 1 21 21 G H1' H 1 5.628 0.01 . 1 . . . A 21 G H1' . 25655 1 307 . 1 1 21 21 G H2' H 1 4.976 0.01 . 1 . . . A 21 G H2' . 25655 1 308 . 1 1 21 21 G H3' H 1 4.849 0.01 . 1 . . . A 21 G H3' . 25655 1 309 . 1 1 21 21 G H4' H 1 4.463 0.01 . 1 . . . A 21 G H4' . 25655 1 310 . 1 1 21 21 G H5' H 1 4.054 0.01 . 1 . . . A 21 G H5' . 25655 1 311 . 1 1 21 21 G H5'' H 1 3.980 0.01 . 1 . . . A 21 G H5'' . 25655 1 312 . 1 1 21 21 G H8 H 1 8.020 0.01 . 1 . . . A 21 G H8 . 25655 1 313 . 1 1 21 21 G C1' C 13 86.859 0.20 . 1 . . . A 21 G C1' . 25655 1 314 . 1 1 21 21 G C2' C 13 74.245 0.20 . 1 . . . A 21 G C2' . 25655 1 315 . 1 1 21 21 G C3' C 13 77.526 0.20 . 1 . . . A 21 G C3' . 25655 1 316 . 1 1 21 21 G C4' C 13 85.333 0.20 . 1 . . . A 21 G C4' . 25655 1 317 . 1 1 21 21 G C5' C 13 69.789 0.20 . 1 . . . A 21 G C5' . 25655 1 318 . 1 1 21 21 G C8 C 13 137.757 0.20 . 1 . . . A 21 G C8 . 25655 1 319 . 1 1 21 21 G N1 N 15 148.612 0.10 . 1 . . . A 21 G N1 . 25655 1 320 . 1 1 22 22 C H1' H 1 5.754 0.01 . 1 . . . A 22 C H1' . 25655 1 321 . 1 1 22 22 C H2' H 1 4.856 0.01 . 1 . . . A 22 C H2' . 25655 1 322 . 1 1 22 22 C H3' H 1 4.640 0.01 . 1 . . . A 22 C H3' . 25655 1 323 . 1 1 22 22 C H4' H 1 4.641 0.01 . 1 . . . A 22 C H4' . 25655 1 324 . 1 1 22 22 C H5 H 1 5.380 0.01 . 1 . . . A 22 C H5 . 25655 1 325 . 1 1 22 22 C H5' H 1 4.354 0.01 . 1 . . . A 22 C H5' . 25655 1 326 . 1 1 22 22 C H5'' H 1 4.640 0.01 . 1 . . . A 22 C H5'' . 25655 1 327 . 1 1 22 22 C H6 H 1 7.578 0.01 . 1 . . . A 22 C H6 . 25655 1 328 . 1 1 22 22 C H41 H 1 6.431 0.02 . 1 . . . A 22 C H41 . 25655 1 329 . 1 1 22 22 C H42 H 1 8.225 0.02 . 1 . . . A 22 C H42 . 25655 1 330 . 1 1 22 22 C C1' C 13 94.248 0.20 . 1 . . . A 22 C C1' . 25655 1 331 . 1 1 22 22 C C2' C 13 72.499 0.20 . 1 . . . A 22 C C2' . 25655 1 332 . 1 1 22 22 C C3' C 13 83.203 0.20 . 1 . . . A 22 C C3' . 25655 1 333 . 1 1 22 22 C C4' C 13 83.582 0.20 . 1 . . . A 22 C C4' . 25655 1 334 . 1 1 22 22 C C5 C 13 97.950 0.20 . 1 . . . A 22 C C5 . 25655 1 335 . 1 1 22 22 C C5' C 13 69.975 0.20 . 1 . . . A 22 C C5' . 25655 1 336 . 1 1 22 22 C C6 C 13 141.893 0.20 . 1 . . . A 22 C C6 . 25655 1 337 . 1 1 22 22 C N4 N 15 96.259 0.10 . 1 . . . A 22 C N4 . 25655 1 338 . 1 1 23 23 G H1 H 1 13.191 0.02 . 1 . . . A 23 G H1 . 25655 1 339 . 1 1 23 23 G H1' H 1 5.802 0.01 . 1 . . . A 23 G H1' . 25655 1 340 . 1 1 23 23 G H2' H 1 4.391 0.01 . 1 . . . A 23 G H2' . 25655 1 341 . 1 1 23 23 G H3' H 1 4.575 0.01 . 1 . . . A 23 G H3' . 25655 1 342 . 1 1 23 23 G H4' H 1 4.516 0.01 . 1 . . . A 23 G H4' . 25655 1 343 . 1 1 23 23 G H5' H 1 4.543 0.01 . 1 . . . A 23 G H5' . 25655 1 344 . 1 1 23 23 G H5'' H 1 4.180 0.01 . 1 . . . A 23 G H5'' . 25655 1 345 . 1 1 23 23 G H8 H 1 7.623 0.01 . 1 . . . A 23 G H8 . 25655 1 346 . 1 1 23 23 G C1' C 13 93.313 0.20 . 1 . . . A 23 G C1' . 25655 1 347 . 1 1 23 23 G C2' C 13 75.414 0.20 . 1 . . . A 23 G C2' . 25655 1 348 . 1 1 23 23 G C3' C 13 73.290 0.20 . 1 . . . A 23 G C3' . 25655 1 349 . 1 1 23 23 G C4' C 13 82.414 0.20 . 1 . . . A 23 G C4' . 25655 1 350 . 1 1 23 23 G C5' C 13 66.098 0.20 . 1 . . . A 23 G C5' . 25655 1 351 . 1 1 23 23 G C8 C 13 136.415 0.20 . 1 . . . A 23 G C8 . 25655 1 352 . 1 1 23 23 G N1 N 15 147.638 0.10 . 1 . . . A 23 G N1 . 25655 1 353 . 1 1 24 24 U H1' H 1 5.854 0.01 . 1 . . . A 24 U H1' . 25655 1 354 . 1 1 24 24 U H2' H 1 4.324 0.01 . 1 . . . A 24 U H2' . 25655 1 355 . 1 1 24 24 U H3' H 1 4.691 0.01 . 1 . . . A 24 U H3' . 25655 1 356 . 1 1 24 24 U H4' H 1 4.469 0.01 . 1 . . . A 24 U H4' . 25655 1 357 . 1 1 24 24 U H5 H 1 5.124 0.01 . 1 . . . A 24 U H5 . 25655 1 358 . 1 1 24 24 U H6 H 1 7.663 0.01 . 1 . . . A 24 U H6 . 25655 1 359 . 1 1 24 24 U C1' C 13 91.002 0.20 . 1 . . . A 24 U C1' . 25655 1 360 . 1 1 24 24 U C2' C 13 76.401 0.20 . 1 . . . A 24 U C2' . 25655 1 361 . 1 1 24 24 U C3' C 13 76.012 0.20 . 1 . . . A 24 U C3' . 25655 1 362 . 1 1 24 24 U C4' C 13 85.329 0.20 . 1 . . . A 24 U C4' . 25655 1 363 . 1 1 24 24 U C5 C 13 103.788 0.20 . 1 . . . A 24 U C5 . 25655 1 364 . 1 1 24 24 U C6 C 13 142.264 0.20 . 1 . . . A 24 U C6 . 25655 1 365 . 1 1 25 25 A H1' H 1 6.159 0.01 . 1 . . . A 25 A H1' . 25655 1 366 . 1 1 25 25 A H2 H 1 8.146 0.01 . 1 . . . A 25 A H2 . 25655 1 367 . 1 1 25 25 A H2' H 1 4.853 0.01 . 1 . . . A 25 A H2' . 25655 1 368 . 1 1 25 25 A H3' H 1 4.852 0.01 . 1 . . . A 25 A H3' . 25655 1 369 . 1 1 25 25 A H4' H 1 4.582 0.01 . 1 . . . A 25 A H4' . 25655 1 370 . 1 1 25 25 A H5' H 1 4.325 0.01 . 1 . . . A 25 A H5' . 25655 1 371 . 1 1 25 25 A H5'' H 1 4.245 0.01 . 1 . . . A 25 A H5'' . 25655 1 372 . 1 1 25 25 A H8 H 1 8.388 0.01 . 1 . . . A 25 A H8 . 25655 1 373 . 1 1 25 25 A H61 H 1 6.003 0.02 . 1 . . . A 25 A H61 . 25655 1 374 . 1 1 25 25 A C1' C 13 90.393 0.20 . 1 . . . A 25 A C1' . 25655 1 375 . 1 1 25 25 A C2 C 13 155.392 0.20 . 1 . . . A 25 A C2 . 25655 1 376 . 1 1 25 25 A C2' C 13 76.010 0.20 . 1 . . . A 25 A C2' . 25655 1 377 . 1 1 25 25 A C3' C 13 76.014 0.20 . 1 . . . A 25 A C3' . 25655 1 378 . 1 1 25 25 A C4' C 13 84.724 0.20 . 1 . . . A 25 A C4' . 25655 1 379 . 1 1 25 25 A C5' C 13 67.469 0.20 . 1 . . . A 25 A C5' . 25655 1 380 . 1 1 25 25 A C8 C 13 142.198 0.20 . 1 . . . A 25 A C8 . 25655 1 381 . 1 1 25 25 A N6 N 15 78.691 0.10 . 1 . . . A 25 A N6 . 25655 1 382 . 1 1 26 26 G H1 H 1 11.733 0.02 . 1 . . . A 26 G H1 . 25655 1 383 . 1 1 26 26 G H1' H 1 5.602 0.01 . 1 . . . A 26 G H1' . 25655 1 384 . 1 1 26 26 G H2' H 1 4.789 0.01 . 1 . . . A 26 G H2' . 25655 1 385 . 1 1 26 26 G H3' H 1 4.577 0.01 . 1 . . . A 26 G H3' . 25655 1 386 . 1 1 26 26 G H4' H 1 4.486 0.01 . 1 . . . A 26 G H4' . 25655 1 387 . 1 1 26 26 G H5' H 1 4.574 0.01 . 1 . . . A 26 G H5' . 25655 1 388 . 1 1 26 26 G H5'' H 1 4.141 0.01 . 1 . . . A 26 G H5'' . 25655 1 389 . 1 1 26 26 G H8 H 1 7.735 0.01 . 1 . . . A 26 G H8 . 25655 1 390 . 1 1 26 26 G H21 H 1 5.657 0.02 . 1 . . . A 26 G H21 . 25655 1 391 . 1 1 26 26 G C1' C 13 93.688 0.20 . 1 . . . A 26 G C1' . 25655 1 392 . 1 1 26 26 G C2' C 13 74.845 0.20 . 1 . . . A 26 G C2' . 25655 1 393 . 1 1 26 26 G C3' C 13 72.503 0.20 . 1 . . . A 26 G C3' . 25655 1 394 . 1 1 26 26 G C4' C 13 81.836 0.20 . 1 . . . A 26 G C4' . 25655 1 395 . 1 1 26 26 G C5' C 13 64.904 0.20 . 1 . . . A 26 G C5' . 25655 1 396 . 1 1 26 26 G C8 C 13 137.786 0.20 . 1 . . . A 26 G C8 . 25655 1 397 . 1 1 26 26 G N1 N 15 146.178 0.10 . 1 . . . A 26 G N1 . 25655 1 398 . 1 1 26 26 G N2 N 15 71.316 0.10 . 1 . . . A 26 G N2 . 25655 1 399 . 1 1 27 27 A H1' H 1 5.873 0.01 . 1 . . . A 27 A H1' . 25655 1 400 . 1 1 27 27 A H2 H 1 7.467 0.01 . 1 . . . A 27 A H2 . 25655 1 401 . 1 1 27 27 A H2' H 1 4.516 0.01 . 1 . . . A 27 A H2' . 25655 1 402 . 1 1 27 27 A H3' H 1 4.782 0.01 . 1 . . . A 27 A H3' . 25655 1 403 . 1 1 27 27 A H4' H 1 4.515 0.01 . 1 . . . A 27 A H4' . 25655 1 404 . 1 1 27 27 A H5' H 1 4.602 0.01 . 1 . . . A 27 A H5' . 25655 1 405 . 1 1 27 27 A H5'' H 1 4.148 0.01 . 1 . . . A 27 A H5'' . 25655 1 406 . 1 1 27 27 A H8 H 1 7.935 0.01 . 1 . . . A 27 A H8 . 25655 1 407 . 1 1 27 27 A C1' C 13 92.926 0.20 . 1 . . . A 27 A C1' . 25655 1 408 . 1 1 27 27 A C2 C 13 153.158 0.20 . 1 . . . A 27 A C2 . 25655 1 409 . 1 1 27 27 A C2' C 13 75.614 0.20 . 1 . . . A 27 A C2' . 25655 1 410 . 1 1 27 27 A C3' C 13 72.317 0.20 . 1 . . . A 27 A C3' . 25655 1 411 . 1 1 27 27 A C4' C 13 81.856 0.20 . 1 . . . A 27 A C4' . 25655 1 412 . 1 1 27 27 A C5' C 13 64.927 0.20 . 1 . . . A 27 A C5' . 25655 1 413 . 1 1 27 27 A C8 C 13 139.523 0.20 . 1 . . . A 27 A C8 . 25655 1 414 . 1 1 28 28 G H1 H 1 12.771 0.02 . 1 . . . A 28 G H1 . 25655 1 415 . 1 1 28 28 G H1' H 1 6.019 0.01 . 1 . . . A 28 G H1' . 25655 1 416 . 1 1 28 28 G H2' H 1 4.200 0.01 . 1 . . . A 28 G H2' . 25655 1 417 . 1 1 28 28 G H3' H 1 4.699 0.01 . 1 . . . A 28 G H3' . 25655 1 418 . 1 1 28 28 G H4' H 1 4.464 0.01 . 1 . . . A 28 G H4' . 25655 1 419 . 1 1 28 28 G H5' H 1 4.616 0.01 . 1 . . . A 28 G H5' . 25655 1 420 . 1 1 28 28 G H5'' H 1 4.125 0.01 . 1 . . . A 28 G H5'' . 25655 1 421 . 1 1 28 28 G H8 H 1 7.361 0.01 . 1 . . . A 28 G H8 . 25655 1 422 . 1 1 28 28 G H21 H 1 8.560 0.02 . 1 . . . A 28 G H21 . 25655 1 423 . 1 1 28 28 G H22 H 1 8.034 0.02 . 1 . . . A 28 G H22 . 25655 1 424 . 1 1 28 28 G C1' C 13 91.498 0.20 . 1 . . . A 28 G C1' . 25655 1 425 . 1 1 28 28 G C2' C 13 76.980 0.20 . 1 . . . A 28 G C2' . 25655 1 426 . 1 1 28 28 G C3' C 13 71.945 0.20 . 1 . . . A 28 G C3' . 25655 1 427 . 1 1 28 28 G C4' C 13 81.248 0.20 . 1 . . . A 28 G C4' . 25655 1 428 . 1 1 28 28 G C5' C 13 64.942 0.20 . 1 . . . A 28 G C5' . 25655 1 429 . 1 1 28 28 G C8 C 13 136.149 0.20 . 1 . . . A 28 G C8 . 25655 1 430 . 1 1 28 28 G N1 N 15 147.913 0.10 . 1 . . . A 28 G N1 . 25655 1 431 . 1 1 28 28 G N2 N 15 78.113 0.10 . 1 . . . A 28 G N2 . 25655 1 432 . 1 1 29 29 G H1 H 1 12.263 0.02 . 1 . . . A 29 G H1 . 25655 1 433 . 1 1 29 29 G H1' H 1 5.924 0.01 . 1 . . . A 29 G H1' . 25655 1 434 . 1 1 29 29 G H2' H 1 4.681 0.01 . 1 . . . A 29 G H2' . 25655 1 435 . 1 1 29 29 G H3' H 1 4.236 0.01 . 1 . . . A 29 G H3' . 25655 1 436 . 1 1 29 29 G H4' H 1 4.416 0.01 . 1 . . . A 29 G H4' . 25655 1 437 . 1 1 29 29 G H5' H 1 4.472 0.01 . 1 . . . A 29 G H5' . 25655 1 438 . 1 1 29 29 G H5'' H 1 4.230 0.01 . 1 . . . A 29 G H5'' . 25655 1 439 . 1 1 29 29 G H8 H 1 8.360 0.01 . 1 . . . A 29 G H8 . 25655 1 440 . 1 1 29 29 G C1' C 13 94.731 0.20 . 1 . . . A 29 G C1' . 25655 1 441 . 1 1 29 29 G C2' C 13 75.620 0.20 . 1 . . . A 29 G C2' . 25655 1 442 . 1 1 29 29 G C3' C 13 74.070 0.20 . 1 . . . A 29 G C3' . 25655 1 443 . 1 1 29 29 G C4' C 13 83.165 0.20 . 1 . . . A 29 G C4' . 25655 1 444 . 1 1 29 29 G C5' C 13 70.953 0.20 . 1 . . . A 29 G C5' . 25655 1 445 . 1 1 29 29 G C8 C 13 139.140 0.20 . 1 . . . A 29 G C8 . 25655 1 446 . 1 1 29 29 G N1 N 15 147.557 0.10 . 1 . . . A 29 G N1 . 25655 1 447 . 1 1 30 30 C H1' H 1 5.551 0.01 . 1 . . . A 30 C H1' . 25655 1 448 . 1 1 30 30 C H2' H 1 4.575 0.01 . 1 . . . A 30 C H2' . 25655 1 449 . 1 1 30 30 C H3' H 1 4.570 0.01 . 1 . . . A 30 C H3' . 25655 1 450 . 1 1 30 30 C H4' H 1 4.432 0.01 . 1 . . . A 30 C H4' . 25655 1 451 . 1 1 30 30 C H5 H 1 4.989 0.01 . 1 . . . A 30 C H5 . 25655 1 452 . 1 1 30 30 C H5' H 1 4.092 0.01 . 1 . . . A 30 C H5' . 25655 1 453 . 1 1 30 30 C H5'' H 1 4.522 0.01 . 1 . . . A 30 C H5'' . 25655 1 454 . 1 1 30 30 C H6 H 1 7.769 0.01 . 1 . . . A 30 C H6 . 25655 1 455 . 1 1 30 30 C H41 H 1 6.457 0.02 . 1 . . . A 30 C H41 . 25655 1 456 . 1 1 30 30 C H42 H 1 8.332 0.02 . 1 . . . A 30 C H42 . 25655 1 457 . 1 1 30 30 C C1' C 13 93.631 0.20 . 1 . . . A 30 C C1' . 25655 1 458 . 1 1 30 30 C C2' C 13 75.303 0.20 . 1 . . . A 30 C C2' . 25655 1 459 . 1 1 30 30 C C3' C 13 71.919 0.20 . 1 . . . A 30 C C3' . 25655 1 460 . 1 1 30 30 C C4' C 13 81.628 0.20 . 1 . . . A 30 C C4' . 25655 1 461 . 1 1 30 30 C C5 C 13 96.311 0.20 . 1 . . . A 30 C C5 . 25655 1 462 . 1 1 30 30 C C5' C 13 64.271 0.20 . 1 . . . A 30 C C5' . 25655 1 463 . 1 1 30 30 C C6 C 13 141.851 0.20 . 1 . . . A 30 C C6 . 25655 1 464 . 1 1 30 30 C N4 N 15 97.067 0.10 . 1 . . . A 30 C N4 . 25655 1 465 . 1 1 31 31 U H1' H 1 5.807 0.01 . 1 . . . A 31 U H1' . 25655 1 466 . 1 1 31 31 U H2' H 1 4.492 0.01 . 1 . . . A 31 U H2' . 25655 1 467 . 1 1 31 31 U H3 H 1 13.837 0.02 . 1 . . . A 31 U H3 . 25655 1 468 . 1 1 31 31 U H3' H 1 4.564 0.01 . 1 . . . A 31 U H3' . 25655 1 469 . 1 1 31 31 U H5 H 1 4.652 0.01 . 1 . . . A 31 U H5 . 25655 1 470 . 1 1 31 31 U H6 H 1 7.578 0.01 . 1 . . . A 31 U H6 . 25655 1 471 . 1 1 31 31 U C1' C 13 92.608 0.20 . 1 . . . A 31 U C1' . 25655 1 472 . 1 1 31 31 U C2' C 13 76.007 0.20 . 1 . . . A 31 U C2' . 25655 1 473 . 1 1 31 31 U C3' C 13 72.302 0.20 . 1 . . . A 31 U C3' . 25655 1 474 . 1 1 31 31 U C5 C 13 102.258 0.20 . 1 . . . A 31 U C5 . 25655 1 475 . 1 1 31 31 U C6 C 13 141.894 0.20 . 1 . . . A 31 U C6 . 25655 1 476 . 1 1 31 31 U N3 N 15 160.003 0.10 . 1 . . . A 31 U N3 . 25655 1 477 . 1 1 32 32 A H1' H 1 6.312 0.01 . 1 . . . A 32 A H1' . 25655 1 478 . 1 1 32 32 A H2 H 1 8.085 0.01 . 1 . . . A 32 A H2 . 25655 1 479 . 1 1 32 32 A H2' H 1 4.504 0.01 . 1 . . . A 32 A H2' . 25655 1 480 . 1 1 32 32 A H3' H 1 4.556 0.01 . 1 . . . A 32 A H3' . 25655 1 481 . 1 1 32 32 A H4' H 1 4.614 0.01 . 1 . . . A 32 A H4' . 25655 1 482 . 1 1 32 32 A H5' H 1 4.438 0.01 . 1 . . . A 32 A H5' . 25655 1 483 . 1 1 32 32 A H5'' H 1 4.071 0.01 . 1 . . . A 32 A H5'' . 25655 1 484 . 1 1 32 32 A H8 H 1 8.843 0.01 . 1 . . . A 32 A H8 . 25655 1 485 . 1 1 32 32 A C1' C 13 88.722 0.20 . 1 . . . A 32 A C1' . 25655 1 486 . 1 1 32 32 A C2 C 13 156.284 0.20 . 1 . . . A 32 A C2 . 25655 1 487 . 1 1 32 32 A C2' C 13 75.598 0.20 . 1 . . . A 32 A C2' . 25655 1 488 . 1 1 32 32 A C3' C 13 72.520 0.20 . 1 . . . A 32 A C3' . 25655 1 489 . 1 1 32 32 A C4' C 13 82.432 0.20 . 1 . . . A 32 A C4' . 25655 1 490 . 1 1 32 32 A C5' C 13 65.321 0.20 . 1 . . . A 32 A C5' . 25655 1 491 . 1 1 32 32 A C8 C 13 141.851 0.20 . 1 . . . A 32 A C8 . 25655 1 492 . 1 1 33 33 A H1' H 1 6.266 0.01 . 1 . . . A 33 A H1' . 25655 1 493 . 1 1 33 33 A H2 H 1 8.324 0.01 . 1 . . . A 33 A H2 . 25655 1 494 . 1 1 33 33 A H2' H 1 4.938 0.01 . 1 . . . A 33 A H2' . 25655 1 495 . 1 1 33 33 A H3' H 1 4.956 0.01 . 1 . . . A 33 A H3' . 25655 1 496 . 1 1 33 33 A H4' H 1 4.751 0.01 . 1 . . . A 33 A H4' . 25655 1 497 . 1 1 33 33 A H5' H 1 4.443 0.01 . 1 . . . A 33 A H5' . 25655 1 498 . 1 1 33 33 A H5'' H 1 4.281 0.01 . 1 . . . A 33 A H5'' . 25655 1 499 . 1 1 33 33 A H8 H 1 8.515 0.01 . 1 . . . A 33 A H8 . 25655 1 500 . 1 1 33 33 A C1' C 13 89.063 0.20 . 1 . . . A 33 A C1' . 25655 1 501 . 1 1 33 33 A C2 C 13 155.822 0.20 . 1 . . . A 33 A C2 . 25655 1 502 . 1 1 33 33 A C2' C 13 76.234 0.20 . 1 . . . A 33 A C2' . 25655 1 503 . 1 1 33 33 A C3' C 13 78.354 0.20 . 1 . . . A 33 A C3' . 25655 1 504 . 1 1 33 33 A C4' C 13 86.705 0.20 . 1 . . . A 33 A C4' . 25655 1 505 . 1 1 33 33 A C5' C 13 68.632 0.20 . 1 . . . A 33 A C5' . 25655 1 506 . 1 1 33 33 A C8 C 13 142.465 0.20 . 1 . . . A 33 A C8 . 25655 1 507 . 1 1 34 34 G H1 H 1 12.513 0.02 . 1 . . . A 34 G H1 . 25655 1 508 . 1 1 34 34 G H1' H 1 4.656 0.01 . 1 . . . A 34 G H1' . 25655 1 509 . 1 1 34 34 G H2' H 1 4.298 0.01 . 1 . . . A 34 G H2' . 25655 1 510 . 1 1 34 34 G H3' H 1 4.452 0.01 . 1 . . . A 34 G H3' . 25655 1 511 . 1 1 34 34 G H4' H 1 4.451 0.01 . 1 . . . A 34 G H4' . 25655 1 512 . 1 1 34 34 G H5' H 1 4.527 0.01 . 1 . . . A 34 G H5' . 25655 1 513 . 1 1 34 34 G H5'' H 1 4.058 0.01 . 1 . . . A 34 G H5'' . 25655 1 514 . 1 1 34 34 G H8 H 1 7.197 0.01 . 1 . . . A 34 G H8 . 25655 1 515 . 1 1 34 34 G C1' C 13 93.098 0.20 . 1 . . . A 34 G C1' . 25655 1 516 . 1 1 34 34 G C2' C 13 74.640 0.20 . 1 . . . A 34 G C2' . 25655 1 517 . 1 1 34 34 G C3' C 13 72.507 0.20 . 1 . . . A 34 G C3' . 25655 1 518 . 1 1 34 34 G C4' C 13 81.963 0.20 . 1 . . . A 34 G C4' . 25655 1 519 . 1 1 34 34 G C5' C 13 64.820 0.20 . 1 . . . A 34 G C5' . 25655 1 520 . 1 1 34 34 G C8 C 13 137.977 0.20 . 1 . . . A 34 G C8 . 25655 1 521 . 1 1 34 34 G N1 N 15 148.203 0.10 . 1 . . . A 34 G N1 . 25655 1 522 . 1 1 35 35 U H1' H 1 5.542 0.01 . 1 . . . A 35 U H1' . 25655 1 523 . 1 1 35 35 U H2' H 1 4.560 0.01 . 1 . . . A 35 U H2' . 25655 1 524 . 1 1 35 35 U H3 H 1 13.888 0.02 . 1 . . . A 35 U H3 . 25655 1 525 . 1 1 35 35 U H3' H 1 4.633 0.01 . 1 . . . A 35 U H3' . 25655 1 526 . 1 1 35 35 U H4' H 1 4.477 0.01 . 1 . . . A 35 U H4' . 25655 1 527 . 1 1 35 35 U H5 H 1 5.075 0.01 . 1 . . . A 35 U H5 . 25655 1 528 . 1 1 35 35 U H6 H 1 7.930 0.01 . 1 . . . A 35 U H6 . 25655 1 529 . 1 1 35 35 U C1' C 13 93.322 0.20 . 1 . . . A 35 U C1' . 25655 1 530 . 1 1 35 35 U C2' C 13 75.180 0.20 . 1 . . . A 35 U C2' . 25655 1 531 . 1 1 35 35 U C3' C 13 72.141 0.20 . 1 . . . A 35 U C3' . 25655 1 532 . 1 1 35 35 U C4' C 13 81.985 0.20 . 1 . . . A 35 U C4' . 25655 1 533 . 1 1 35 35 U C5 C 13 102.464 0.20 . 1 . . . A 35 U C5 . 25655 1 534 . 1 1 35 35 U C6 C 13 142.072 0.20 . 1 . . . A 35 U C6 . 25655 1 535 . 1 1 35 35 U N3 N 15 162.588 0.10 . 1 . . . A 35 U N3 . 25655 1 536 . 1 1 36 36 G H1 H 1 12.596 0.02 . 1 . . . A 36 G H1 . 25655 1 537 . 1 1 36 36 G H1' H 1 5.835 0.01 . 1 . . . A 36 G H1' . 25655 1 538 . 1 1 36 36 G H2' H 1 4.482 0.01 . 1 . . . A 36 G H2' . 25655 1 539 . 1 1 36 36 G H3' H 1 4.597 0.01 . 1 . . . A 36 G H3' . 25655 1 540 . 1 1 36 36 G H4' H 1 4.482 0.01 . 1 . . . A 36 G H4' . 25655 1 541 . 1 1 36 36 G H5' H 1 4.560 0.01 . 1 . . . A 36 G H5' . 25655 1 542 . 1 1 36 36 G H5'' H 1 4.136 0.01 . 1 . . . A 36 G H5'' . 25655 1 543 . 1 1 36 36 G H8 H 1 7.727 0.01 . 1 . . . A 36 G H8 . 25655 1 544 . 1 1 36 36 G C1' C 13 92.356 0.20 . 1 . . . A 36 G C1' . 25655 1 545 . 1 1 36 36 G C2' C 13 75.425 0.20 . 1 . . . A 36 G C2' . 25655 1 546 . 1 1 36 36 G C3' C 13 72.505 0.20 . 1 . . . A 36 G C3' . 25655 1 547 . 1 1 36 36 G C4' C 13 81.836 0.20 . 1 . . . A 36 G C4' . 25655 1 548 . 1 1 36 36 G C5' C 13 64.922 0.20 . 1 . . . A 36 G C5' . 25655 1 549 . 1 1 36 36 G C8 C 13 136.156 0.20 . 1 . . . A 36 G C8 . 25655 1 550 . 1 1 36 36 G N1 N 15 147.418 0.10 . 1 . . . A 36 G N1 . 25655 1 551 . 1 1 37 37 C H1' H 1 5.451 0.01 . 1 . . . A 37 C H1' . 25655 1 552 . 1 1 37 37 C H2' H 1 4.260 0.01 . 1 . . . A 37 C H2' . 25655 1 553 . 1 1 37 37 C H3' H 1 4.382 0.01 . 1 . . . A 37 C H3' . 25655 1 554 . 1 1 37 37 C H4' H 1 4.339 0.01 . 1 . . . A 37 C H4' . 25655 1 555 . 1 1 37 37 C H5 H 1 5.195 0.01 . 1 . . . A 37 C H5 . 25655 1 556 . 1 1 37 37 C H5' H 1 4.065 0.01 . 1 . . . A 37 C H5' . 25655 1 557 . 1 1 37 37 C H5'' H 1 4.514 0.01 . 1 . . . A 37 C H5'' . 25655 1 558 . 1 1 37 37 C H6 H 1 7.470 0.01 . 1 . . . A 37 C H6 . 25655 1 559 . 1 1 37 37 C H41 H 1 6.637 0.02 . 1 . . . A 37 C H41 . 25655 1 560 . 1 1 37 37 C H42 H 1 8.402 0.02 . 1 . . . A 37 C H42 . 25655 1 561 . 1 1 37 37 C C1' C 13 93.686 0.20 . 1 . . . A 37 C C1' . 25655 1 562 . 1 1 37 37 C C2' C 13 75.601 0.20 . 1 . . . A 37 C C2' . 25655 1 563 . 1 1 37 37 C C3' C 13 72.061 0.20 . 1 . . . A 37 C C3' . 25655 1 564 . 1 1 37 37 C C4' C 13 82.024 0.20 . 1 . . . A 37 C C4' . 25655 1 565 . 1 1 37 37 C C5 C 13 97.344 0.20 . 1 . . . A 37 C C5 . 25655 1 566 . 1 1 37 37 C C5' C 13 64.530 0.20 . 1 . . . A 37 C C5' . 25655 1 567 . 1 1 37 37 C C6 C 13 140.318 0.20 . 1 . . . A 37 C C6 . 25655 1 568 . 1 1 37 37 C N4 N 15 99.384 0.10 . 1 . . . A 37 C N4 . 25655 1 569 . 1 1 38 38 U H1' H 1 5.644 0.01 . 1 . . . A 38 U H1' . 25655 1 570 . 1 1 38 38 U H2' H 1 3.770 0.01 . 1 . . . A 38 U H2' . 25655 1 571 . 1 1 38 38 U H3' H 1 4.531 0.01 . 1 . . . A 38 U H3' . 25655 1 572 . 1 1 38 38 U H4' H 1 4.362 0.01 . 1 . . . A 38 U H4' . 25655 1 573 . 1 1 38 38 U H5 H 1 5.707 0.01 . 1 . . . A 38 U H5 . 25655 1 574 . 1 1 38 38 U H5' H 1 4.079 0.01 . 1 . . . A 38 U H5' . 25655 1 575 . 1 1 38 38 U H5'' H 1 4.532 0.01 . 1 . . . A 38 U H5'' . 25655 1 576 . 1 1 38 38 U H6 H 1 7.776 0.01 . 1 . . . A 38 U H6 . 25655 1 577 . 1 1 38 38 U C1' C 13 94.464 0.20 . 1 . . . A 38 U C1' . 25655 1 578 . 1 1 38 38 U C2' C 13 75.993 0.20 . 1 . . . A 38 U C2' . 25655 1 579 . 1 1 38 38 U C3' C 13 73.105 0.20 . 1 . . . A 38 U C3' . 25655 1 580 . 1 1 38 38 U C4' C 13 82.419 0.20 . 1 . . . A 38 U C4' . 25655 1 581 . 1 1 38 38 U C5 C 13 105.051 0.20 . 1 . . . A 38 U C5 . 25655 1 582 . 1 1 38 38 U C5' C 13 64.500 0.20 . 1 . . . A 38 U C5' . 25655 1 583 . 1 1 38 38 U C6 C 13 140.746 0.20 . 1 . . . A 38 U C6 . 25655 1 584 . 1 1 39 39 U H1' H 1 6.100 0.01 . 1 . . . A 39 U H1' . 25655 1 585 . 1 1 39 39 U H2' H 1 4.655 0.01 . 1 . . . A 39 U H2' . 25655 1 586 . 1 1 39 39 U H3' H 1 4.021 0.01 . 1 . . . A 39 U H3' . 25655 1 587 . 1 1 39 39 U H4' H 1 4.484 0.01 . 1 . . . A 39 U H4' . 25655 1 588 . 1 1 39 39 U H5 H 1 5.860 0.01 . 1 . . . A 39 U H5 . 25655 1 589 . 1 1 39 39 U H5' H 1 4.024 0.01 . 1 . . . A 39 U H5' . 25655 1 590 . 1 1 39 39 U H5'' H 1 4.239 0.01 . 1 . . . A 39 U H5'' . 25655 1 591 . 1 1 39 39 U H6 H 1 8.023 0.01 . 1 . . . A 39 U H6 . 25655 1 592 . 1 1 39 39 U C1' C 13 89.271 0.20 . 1 . . . A 39 U C1' . 25655 1 593 . 1 1 39 39 U C2' C 13 74.620 0.20 . 1 . . . A 39 U C2' . 25655 1 594 . 1 1 39 39 U C3' C 13 77.751 0.20 . 1 . . . A 39 U C3' . 25655 1 595 . 1 1 39 39 U C4' C 13 86.927 0.20 . 1 . . . A 39 U C4' . 25655 1 596 . 1 1 39 39 U C5 C 13 105.514 0.20 . 1 . . . A 39 U C5 . 25655 1 597 . 1 1 39 39 U C5' C 13 67.847 0.20 . 1 . . . A 39 U C5' . 25655 1 598 . 1 1 39 39 U C6 C 13 144.641 0.20 . 1 . . . A 39 U C6 . 25655 1 599 . 1 1 40 40 C H1' H 1 5.961 0.01 . 1 . . . A 40 C H1' . 25655 1 600 . 1 1 40 40 C H2' H 1 4.107 0.01 . 1 . . . A 40 C H2' . 25655 1 601 . 1 1 40 40 C H3' H 1 4.502 0.01 . 1 . . . A 40 C H3' . 25655 1 602 . 1 1 40 40 C H4' H 1 3.810 0.01 . 1 . . . A 40 C H4' . 25655 1 603 . 1 1 40 40 C H5 H 1 6.129 0.01 . 1 . . . A 40 C H5 . 25655 1 604 . 1 1 40 40 C H5' H 1 2.719 0.01 . 1 . . . A 40 C H5' . 25655 1 605 . 1 1 40 40 C H5'' H 1 3.620 0.01 . 1 . . . A 40 C H5'' . 25655 1 606 . 1 1 40 40 C H6 H 1 7.701 0.01 . 1 . . . A 40 C H6 . 25655 1 607 . 1 1 40 40 C H41 H 1 6.180 0.02 . 1 . . . A 40 C H41 . 25655 1 608 . 1 1 40 40 C H42 H 1 7.043 0.02 . 1 . . . A 40 C H42 . 25655 1 609 . 1 1 40 40 C C1' C 13 89.159 0.20 . 1 . . . A 40 C C1' . 25655 1 610 . 1 1 40 40 C C2' C 13 77.572 0.20 . 1 . . . A 40 C C2' . 25655 1 611 . 1 1 40 40 C C3' C 13 80.284 0.20 . 1 . . . A 40 C C3' . 25655 1 612 . 1 1 40 40 C C4' C 13 84.558 0.20 . 1 . . . A 40 C C4' . 25655 1 613 . 1 1 40 40 C C5 C 13 98.539 0.20 . 1 . . . A 40 C C5 . 25655 1 614 . 1 1 40 40 C C5' C 13 67.299 0.20 . 1 . . . A 40 C C5' . 25655 1 615 . 1 1 40 40 C C6 C 13 142.828 0.20 . 1 . . . A 40 C C6 . 25655 1 616 . 1 1 40 40 C N4 N 15 93.721 0.10 . 1 . . . A 40 C N4 . 25655 1 617 . 1 1 41 41 G H1 H 1 9.867 0.02 . 1 . . . A 41 G H1 . 25655 1 618 . 1 1 41 41 G H1' H 1 5.979 0.01 . 1 . . . A 41 G H1' . 25655 1 619 . 1 1 41 41 G H2' H 1 4.842 0.01 . 1 . . . A 41 G H2' . 25655 1 620 . 1 1 41 41 G H3' H 1 5.638 0.01 . 1 . . . A 41 G H3' . 25655 1 621 . 1 1 41 41 G H4' H 1 4.430 0.01 . 1 . . . A 41 G H4' . 25655 1 622 . 1 1 41 41 G H5' H 1 4.428 0.01 . 1 . . . A 41 G H5' . 25655 1 623 . 1 1 41 41 G H5'' H 1 4.207 0.01 . 1 . . . A 41 G H5'' . 25655 1 624 . 1 1 41 41 G H8 H 1 7.871 0.01 . 1 . . . A 41 G H8 . 25655 1 625 . 1 1 41 41 G C1' C 13 94.569 0.20 . 1 . . . A 41 G C1' . 25655 1 626 . 1 1 41 41 G C2' C 13 77.187 0.20 . 1 . . . A 41 G C2' . 25655 1 627 . 1 1 41 41 G C3' C 13 75.822 0.20 . 1 . . . A 41 G C3' . 25655 1 628 . 1 1 41 41 G C4' C 13 83.150 0.20 . 1 . . . A 41 G C4' . 25655 1 629 . 1 1 41 41 G C5' C 13 69.018 0.20 . 1 . . . A 41 G C5' . 25655 1 630 . 1 1 41 41 G C8 C 13 143.008 0.20 . 1 . . . A 41 G C8 . 25655 1 631 . 1 1 41 41 G N1 N 15 143.362 0.10 . 1 . . . A 41 G N1 . 25655 1 632 . 1 1 42 42 G H1 H 1 13.339 0.02 . 1 . . . A 42 G H1 . 25655 1 633 . 1 1 42 42 G H1' H 1 4.430 0.01 . 1 . . . A 42 G H1' . 25655 1 634 . 1 1 42 42 G H2' H 1 4.420 0.01 . 1 . . . A 42 G H2' . 25655 1 635 . 1 1 42 42 G H3' H 1 4.506 0.01 . 1 . . . A 42 G H3' . 25655 1 636 . 1 1 42 42 G H4' H 1 4.424 0.01 . 1 . . . A 42 G H4' . 25655 1 637 . 1 1 42 42 G H8 H 1 8.344 0.01 . 1 . . . A 42 G H8 . 25655 1 638 . 1 1 42 42 G C1' C 13 93.291 0.20 . 1 . . . A 42 G C1' . 25655 1 639 . 1 1 42 42 G C2' C 13 75.053 0.20 . 1 . . . A 42 G C2' . 25655 1 640 . 1 1 42 42 G C3' C 13 73.675 0.20 . 1 . . . A 42 G C3' . 25655 1 641 . 1 1 42 42 G C4' C 13 82.431 0.20 . 1 . . . A 42 G C4' . 25655 1 642 . 1 1 42 42 G C8 C 13 139.007 0.20 . 1 . . . A 42 G C8 . 25655 1 643 . 1 1 42 42 G N1 N 15 148.287 0.10 . 1 . . . A 42 G N1 . 25655 1 644 . 1 1 43 43 C H1' H 1 5.481 0.01 . 1 . . . A 43 C H1' . 25655 1 645 . 1 1 43 43 C H2' H 1 4.270 0.01 . 1 . . . A 43 C H2' . 25655 1 646 . 1 1 43 43 C H3' H 1 4.530 0.01 . 1 . . . A 43 C H3' . 25655 1 647 . 1 1 43 43 C H4' H 1 4.400 0.01 . 1 . . . A 43 C H4' . 25655 1 648 . 1 1 43 43 C H5 H 1 5.270 0.01 . 1 . . . A 43 C H5 . 25655 1 649 . 1 1 43 43 C H6 H 1 7.796 0.01 . 1 . . . A 43 C H6 . 25655 1 650 . 1 1 43 43 C H41 H 1 6.731 0.02 . 1 . . . A 43 C H41 . 25655 1 651 . 1 1 43 43 C H42 H 1 8.563 0.02 . 1 . . . A 43 C H42 . 25655 1 652 . 1 1 43 43 C C1' C 13 93.694 0.20 . 1 . . . A 43 C C1' . 25655 1 653 . 1 1 43 43 C C2' C 13 75.597 0.20 . 1 . . . A 43 C C2' . 25655 1 654 . 1 1 43 43 C C3' C 13 71.925 0.20 . 1 . . . A 43 C C3' . 25655 1 655 . 1 1 43 43 C C4' C 13 81.737 0.20 . 1 . . . A 43 C C4' . 25655 1 656 . 1 1 43 43 C C5 C 13 96.971 0.20 . 1 . . . A 43 C C5 . 25655 1 657 . 1 1 43 43 C C6 C 13 141.271 0.20 . 1 . . . A 43 C C6 . 25655 1 658 . 1 1 43 43 C N4 N 15 97.789 0.10 . 1 . . . A 43 C N4 . 25655 1 659 . 1 1 44 44 A H1' H 1 5.937 0.01 . 1 . . . A 44 A H1' . 25655 1 660 . 1 1 44 44 A H2 H 1 7.284 0.01 . 1 . . . A 44 A H2 . 25655 1 661 . 1 1 44 44 A H2' H 1 4.493 0.01 . 1 . . . A 44 A H2' . 25655 1 662 . 1 1 44 44 A H3' H 1 4.608 0.01 . 1 . . . A 44 A H3' . 25655 1 663 . 1 1 44 44 A H4' H 1 4.552 0.01 . 1 . . . A 44 A H4' . 25655 1 664 . 1 1 44 44 A H5' H 1 4.585 0.01 . 1 . . . A 44 A H5' . 25655 1 665 . 1 1 44 44 A H5'' H 1 4.190 0.01 . 1 . . . A 44 A H5'' . 25655 1 666 . 1 1 44 44 A H8 H 1 8.010 0.01 . 1 . . . A 44 A H8 . 25655 1 667 . 1 1 44 44 A C1' C 13 92.906 0.20 . 1 . . . A 44 A C1' . 25655 1 668 . 1 1 44 44 A C2 C 13 152.890 0.20 . 1 . . . A 44 A C2 . 25655 1 669 . 1 1 44 44 A C2' C 13 75.465 0.20 . 1 . . . A 44 A C2' . 25655 1 670 . 1 1 44 44 A C3' C 13 72.491 0.20 . 1 . . . A 44 A C3' . 25655 1 671 . 1 1 44 44 A C4' C 13 81.832 0.20 . 1 . . . A 44 A C4' . 25655 1 672 . 1 1 44 44 A C5' C 13 65.108 0.20 . 1 . . . A 44 A C5' . 25655 1 673 . 1 1 44 44 A C8 C 13 139.293 0.20 . 1 . . . A 44 A C8 . 25655 1 674 . 1 1 45 45 C H1' H 1 5.438 0.01 . 1 . . . A 45 C H1' . 25655 1 675 . 1 1 45 45 C H2' H 1 4.108 0.01 . 1 . . . A 45 C H2' . 25655 1 676 . 1 1 45 45 C H3' H 1 4.490 0.01 . 1 . . . A 45 C H3' . 25655 1 677 . 1 1 45 45 C H4' H 1 4.488 0.01 . 1 . . . A 45 C H4' . 25655 1 678 . 1 1 45 45 C H5 H 1 4.939 0.01 . 1 . . . A 45 C H5 . 25655 1 679 . 1 1 45 45 C H5' H 1 4.180 0.01 . 1 . . . A 45 C H5' . 25655 1 680 . 1 1 45 45 C H5'' H 1 4.605 0.01 . 1 . . . A 45 C H5'' . 25655 1 681 . 1 1 45 45 C H6 H 1 7.366 0.01 . 1 . . . A 45 C H6 . 25655 1 682 . 1 1 45 45 C H41 H 1 6.475 0.02 . 1 . . . A 45 C H41 . 25655 1 683 . 1 1 45 45 C H42 H 1 7.525 0.02 . 1 . . . A 45 C H42 . 25655 1 684 . 1 1 45 45 C C1' C 13 93.457 0.20 . 1 . . . A 45 C C1' . 25655 1 685 . 1 1 45 45 C C2' C 13 75.478 0.20 . 1 . . . A 45 C C2' . 25655 1 686 . 1 1 45 45 C C3' C 13 71.927 0.20 . 1 . . . A 45 C C3' . 25655 1 687 . 1 1 45 45 C C4' C 13 81.836 0.20 . 1 . . . A 45 C C4' . 25655 1 688 . 1 1 45 45 C C5 C 13 96.616 0.20 . 1 . . . A 45 C C5 . 25655 1 689 . 1 1 45 45 C C5' C 13 64.559 0.20 . 1 . . . A 45 C C5' . 25655 1 690 . 1 1 45 45 C C6 C 13 140.502 0.20 . 1 . . . A 45 C C6 . 25655 1 691 . 1 1 45 45 C N4 N 15 95.592 0.10 . 1 . . . A 45 C N4 . 25655 1 692 . 1 1 46 46 A H1' H 1 5.739 0.01 . 1 . . . A 46 A H1' . 25655 1 693 . 1 1 46 46 A H2 H 1 7.705 0.01 . 1 . . . A 46 A H2 . 25655 1 694 . 1 1 46 46 A H2' H 1 4.757 0.01 . 1 . . . A 46 A H2' . 25655 1 695 . 1 1 46 46 A H3' H 1 4.665 0.01 . 1 . . . A 46 A H3' . 25655 1 696 . 1 1 46 46 A H4' H 1 4.501 0.01 . 1 . . . A 46 A H4' . 25655 1 697 . 1 1 46 46 A H5' H 1 4.621 0.01 . 1 . . . A 46 A H5' . 25655 1 698 . 1 1 46 46 A H5'' H 1 4.212 0.01 . 1 . . . A 46 A H5'' . 25655 1 699 . 1 1 46 46 A H8 H 1 7.907 0.01 . 1 . . . A 46 A H8 . 25655 1 700 . 1 1 46 46 A C1' C 13 92.770 0.20 . 1 . . . A 46 A C1' . 25655 1 701 . 1 1 46 46 A C2 C 13 153.684 0.20 . 1 . . . A 46 A C2 . 25655 1 702 . 1 1 46 46 A C2' C 13 76.203 0.20 . 1 . . . A 46 A C2' . 25655 1 703 . 1 1 46 46 A C3' C 13 73.872 0.20 . 1 . . . A 46 A C3' . 25655 1 704 . 1 1 46 46 A C4' C 13 81.835 0.20 . 1 . . . A 46 A C4' . 25655 1 705 . 1 1 46 46 A C5' C 13 64.561 0.20 . 1 . . . A 46 A C5' . 25655 1 706 . 1 1 46 46 A C8 C 13 140.296 0.20 . 1 . . . A 46 A C8 . 25655 1 707 . 1 1 47 47 G H1 H 1 13.193 0.02 . 1 . . . A 47 G H1 . 25655 1 708 . 1 1 47 47 G H1' H 1 5.744 0.01 . 1 . . . A 47 G H1' . 25655 1 709 . 1 1 47 47 G H2' H 1 4.488 0.01 . 1 . . . A 47 G H2' . 25655 1 710 . 1 1 47 47 G H3' H 1 4.640 0.01 . 1 . . . A 47 G H3' . 25655 1 711 . 1 1 47 47 G H4' H 1 4.314 0.01 . 1 . . . A 47 G H4' . 25655 1 712 . 1 1 47 47 G H5' H 1 4.488 0.01 . 1 . . . A 47 G H5' . 25655 1 713 . 1 1 47 47 G H5'' H 1 4.055 0.01 . 1 . . . A 47 G H5'' . 25655 1 714 . 1 1 47 47 G H8 H 1 7.515 0.01 . 1 . . . A 47 G H8 . 25655 1 715 . 1 1 47 47 G C1' C 13 92.901 0.20 . 1 . . . A 47 G C1' . 25655 1 716 . 1 1 47 47 G C2' C 13 75.511 0.20 . 1 . . . A 47 G C2' . 25655 1 717 . 1 1 47 47 G C3' C 13 72.215 0.20 . 1 . . . A 47 G C3' . 25655 1 718 . 1 1 47 47 G C4' C 13 82.016 0.20 . 1 . . . A 47 G C4' . 25655 1 719 . 1 1 47 47 G C5' C 13 64.174 0.20 . 1 . . . A 47 G C5' . 25655 1 720 . 1 1 47 47 G C8 C 13 136.209 0.20 . 1 . . . A 47 G C8 . 25655 1 721 . 1 1 47 47 G N1 N 15 147.636 0.10 . 1 . . . A 47 G N1 . 25655 1 722 . 1 1 48 48 C H1' H 1 5.434 0.01 . 1 . . . A 48 C H1' . 25655 1 723 . 1 1 48 48 C H2' H 1 4.435 0.01 . 1 . . . A 48 C H2' . 25655 1 724 . 1 1 48 48 C H3' H 1 4.230 0.01 . 1 . . . A 48 C H3' . 25655 1 725 . 1 1 48 48 C H4' H 1 4.435 0.01 . 1 . . . A 48 C H4' . 25655 1 726 . 1 1 48 48 C H5 H 1 5.025 0.01 . 1 . . . A 48 C H5 . 25655 1 727 . 1 1 48 48 C H5' H 1 4.090 0.01 . 1 . . . A 48 C H5' . 25655 1 728 . 1 1 48 48 C H5'' H 1 4.507 0.01 . 1 . . . A 48 C H5'' . 25655 1 729 . 1 1 48 48 C H6 H 1 7.473 0.01 . 1 . . . A 48 C H6 . 25655 1 730 . 1 1 48 48 C H41 H 1 6.466 0.02 . 1 . . . A 48 C H41 . 25655 1 731 . 1 1 48 48 C H42 H 1 7.560 0.02 . 1 . . . A 48 C H42 . 25655 1 732 . 1 1 48 48 C C1' C 13 93.690 0.20 . 1 . . . A 48 C C1' . 25655 1 733 . 1 1 48 48 C C2' C 13 75.414 0.20 . 1 . . . A 48 C C2' . 25655 1 734 . 1 1 48 48 C C3' C 13 71.763 0.20 . 1 . . . A 48 C C3' . 25655 1 735 . 1 1 48 48 C C4' C 13 81.736 0.20 . 1 . . . A 48 C C4' . 25655 1 736 . 1 1 48 48 C C5 C 13 97.021 0.20 . 1 . . . A 48 C C5 . 25655 1 737 . 1 1 48 48 C C5' C 13 64.185 0.20 . 1 . . . A 48 C C5' . 25655 1 738 . 1 1 48 48 C C6 C 13 139.929 0.20 . 1 . . . A 48 C C6 . 25655 1 739 . 1 1 48 48 C N4 N 15 97.672 0.10 . 1 . . . A 48 C N4 . 25655 1 740 . 1 1 49 49 A H1' H 1 5.858 0.01 . 1 . . . A 49 A H1' . 25655 1 741 . 1 1 49 49 A H2 H 1 6.883 0.01 . 1 . . . A 49 A H2 . 25655 1 742 . 1 1 49 49 A H2' H 1 4.461 0.01 . 1 . . . A 49 A H2' . 25655 1 743 . 1 1 49 49 A H3' H 1 4.356 0.01 . 1 . . . A 49 A H3' . 25655 1 744 . 1 1 49 49 A H4' H 1 4.443 0.01 . 1 . . . A 49 A H4' . 25655 1 745 . 1 1 49 49 A H5' H 1 4.452 0.01 . 1 . . . A 49 A H5' . 25655 1 746 . 1 1 49 49 A H5'' H 1 4.049 0.01 . 1 . . . A 49 A H5'' . 25655 1 747 . 1 1 49 49 A H8 H 1 7.774 0.01 . 1 . . . A 49 A H8 . 25655 1 748 . 1 1 49 49 A C1' C 13 93.683 0.20 . 1 . . . A 49 A C1' . 25655 1 749 . 1 1 49 49 A C2 C 13 153.698 0.20 . 1 . . . A 49 A C2 . 25655 1 750 . 1 1 49 49 A C2' C 13 75.206 0.20 . 1 . . . A 49 A C2' . 25655 1 751 . 1 1 49 49 A C3' C 13 72.902 0.20 . 1 . . . A 49 A C3' . 25655 1 752 . 1 1 49 49 A C4' C 13 82.435 0.20 . 1 . . . A 49 A C4' . 25655 1 753 . 1 1 49 49 A C5' C 13 65.343 0.20 . 1 . . . A 49 A C5' . 25655 1 754 . 1 1 49 49 A C8 C 13 138.945 0.20 . 1 . . . A 49 A C8 . 25655 1 755 . 1 1 50 50 C H1' H 1 5.607 0.01 . 1 . . . A 50 C H1' . 25655 1 756 . 1 1 50 50 C H2' H 1 4.077 0.01 . 1 . . . A 50 C H2' . 25655 1 757 . 1 1 50 50 C H3' H 1 4.541 0.01 . 1 . . . A 50 C H3' . 25655 1 758 . 1 1 50 50 C H4' H 1 4.374 0.01 . 1 . . . A 50 C H4' . 25655 1 759 . 1 1 50 50 C H5 H 1 5.289 0.01 . 1 . . . A 50 C H5 . 25655 1 760 . 1 1 50 50 C H5' H 1 4.020 0.01 . 1 . . . A 50 C H5' . 25655 1 761 . 1 1 50 50 C H5'' H 1 4.425 0.01 . 1 . . . A 50 C H5'' . 25655 1 762 . 1 1 50 50 C H6 H 1 7.384 0.01 . 1 . . . A 50 C H6 . 25655 1 763 . 1 1 50 50 C H42 H 1 6.577 0.02 . 1 . . . A 50 C H42 . 25655 1 764 . 1 1 50 50 C C1' C 13 91.576 0.20 . 1 . . . A 50 C C1' . 25655 1 765 . 1 1 50 50 C C2' C 13 76.393 0.20 . 1 . . . A 50 C C2' . 25655 1 766 . 1 1 50 50 C C3' C 13 76.202 0.20 . 1 . . . A 50 C C3' . 25655 1 767 . 1 1 50 50 C C4' C 13 84.160 0.20 . 1 . . . A 50 C C4' . 25655 1 768 . 1 1 50 50 C C5 C 13 97.569 0.20 . 1 . . . A 50 C C5 . 25655 1 769 . 1 1 50 50 C C5' C 13 65.879 0.20 . 1 . . . A 50 C C5' . 25655 1 770 . 1 1 50 50 C C6 C 13 141.453 0.20 . 1 . . . A 50 C C6 . 25655 1 771 . 1 1 50 50 C N4 N 15 69.955 0.10 . 1 . . . A 50 C N4 . 25655 1 772 . 1 1 51 51 A H1' H 1 5.928 0.01 . 1 . . . A 51 A H1' . 25655 1 773 . 1 1 51 51 A H2 H 1 7.740 0.01 . 1 . . . A 51 A H2 . 25655 1 774 . 1 1 51 51 A H2' H 1 4.945 0.01 . 1 . . . A 51 A H2' . 25655 1 775 . 1 1 51 51 A H3' H 1 4.575 0.01 . 1 . . . A 51 A H3' . 25655 1 776 . 1 1 51 51 A H4' H 1 4.535 0.01 . 1 . . . A 51 A H4' . 25655 1 777 . 1 1 51 51 A H5' H 1 4.556 0.01 . 1 . . . A 51 A H5' . 25655 1 778 . 1 1 51 51 A H5'' H 1 4.197 0.01 . 1 . . . A 51 A H5'' . 25655 1 779 . 1 1 51 51 A H8 H 1 8.299 0.01 . 1 . . . A 51 A H8 . 25655 1 780 . 1 1 51 51 A H61 H 1 6.813 0.02 . 1 . . . A 51 A H61 . 25655 1 781 . 1 1 51 51 A C1' C 13 93.882 0.20 . 1 . . . A 51 A C1' . 25655 1 782 . 1 1 51 51 A C2 C 13 152.928 0.20 . 1 . . . A 51 A C2 . 25655 1 783 . 1 1 51 51 A C2' C 13 75.136 0.20 . 1 . . . A 51 A C2' . 25655 1 784 . 1 1 51 51 A C3' C 13 74.468 0.20 . 1 . . . A 51 A C3' . 25655 1 785 . 1 1 51 51 A C4' C 13 82.999 0.20 . 1 . . . A 51 A C4' . 25655 1 786 . 1 1 51 51 A C5' C 13 64.547 0.20 . 1 . . . A 51 A C5' . 25655 1 787 . 1 1 51 51 A C8 C 13 141.483 0.20 . 1 . . . A 51 A C8 . 25655 1 788 . 1 1 51 51 A N6 N 15 78.673 0.10 . 1 . . . A 51 A N6 . 25655 1 789 . 1 1 52 52 A H1' H 1 5.865 0.01 . 1 . . . A 52 A H1' . 25655 1 790 . 1 1 52 52 A H2 H 1 7.935 0.01 . 1 . . . A 52 A H2 . 25655 1 791 . 1 1 52 52 A H2' H 1 4.429 0.01 . 1 . . . A 52 A H2' . 25655 1 792 . 1 1 52 52 A H3' H 1 4.746 0.01 . 1 . . . A 52 A H3' . 25655 1 793 . 1 1 52 52 A H4' H 1 4.522 0.01 . 1 . . . A 52 A H4' . 25655 1 794 . 1 1 52 52 A H5' H 1 4.583 0.01 . 1 . . . A 52 A H5' . 25655 1 795 . 1 1 52 52 A H5'' H 1 4.182 0.01 . 1 . . . A 52 A H5'' . 25655 1 796 . 1 1 52 52 A H8 H 1 8.032 0.01 . 1 . . . A 52 A H8 . 25655 1 797 . 1 1 52 52 A H61 H 1 6.875 0.02 . 1 . . . A 52 A H61 . 25655 1 798 . 1 1 52 52 A C1' C 13 91.812 0.20 . 1 . . . A 52 A C1' . 25655 1 799 . 1 1 52 52 A C2 C 13 154.678 0.20 . 1 . . . A 52 A C2 . 25655 1 800 . 1 1 52 52 A C2' C 13 76.393 0.20 . 1 . . . A 52 A C2' . 25655 1 801 . 1 1 52 52 A C3' C 13 72.732 0.20 . 1 . . . A 52 A C3' . 25655 1 802 . 1 1 52 52 A C4' C 13 81.848 0.20 . 1 . . . A 52 A C4' . 25655 1 803 . 1 1 52 52 A C5' C 13 64.924 0.20 . 1 . . . A 52 A C5' . 25655 1 804 . 1 1 52 52 A C8 C 13 139.299 0.20 . 1 . . . A 52 A C8 . 25655 1 805 . 1 1 52 52 A N6 N 15 78.207 0.10 . 1 . . . A 52 A N6 . 25655 1 806 . 1 1 53 53 G H1 H 1 14.323 0.02 . 1 . . . A 53 G H1 . 25655 1 807 . 1 1 53 53 G H1' H 1 5.758 0.01 . 1 . . . A 53 G H1' . 25655 1 808 . 1 1 53 53 G H2' H 1 4.527 0.01 . 1 . . . A 53 G H2' . 25655 1 809 . 1 1 53 53 G H3' H 1 4.605 0.01 . 1 . . . A 53 G H3' . 25655 1 810 . 1 1 53 53 G H4' H 1 4.486 0.01 . 1 . . . A 53 G H4' . 25655 1 811 . 1 1 53 53 G H5' H 1 4.530 0.01 . 1 . . . A 53 G H5' . 25655 1 812 . 1 1 53 53 G H5'' H 1 4.142 0.01 . 1 . . . A 53 G H5'' . 25655 1 813 . 1 1 53 53 G H8 H 1 7.368 0.01 . 1 . . . A 53 G H8 . 25655 1 814 . 1 1 53 53 G H21 H 1 7.859 0.02 . 1 . . . A 53 G H21 . 25655 1 815 . 1 1 53 53 G H22 H 1 6.359 0.02 . 1 . . . A 53 G H22 . 25655 1 816 . 1 1 53 53 G C1' C 13 92.187 0.20 . 1 . . . A 53 G C1' . 25655 1 817 . 1 1 53 53 G C2' C 13 75.605 0.20 . 1 . . . A 53 G C2' . 25655 1 818 . 1 1 53 53 G C3' C 13 72.494 0.20 . 1 . . . A 53 G C3' . 25655 1 819 . 1 1 53 53 G C4' C 13 81.953 0.20 . 1 . . . A 53 G C4' . 25655 1 820 . 1 1 53 53 G C5' C 13 64.951 0.20 . 1 . . . A 53 G C5' . 25655 1 821 . 1 1 53 53 G C8 C 13 136.143 0.20 . 1 . . . A 53 G C8 . 25655 1 822 . 1 1 53 53 G N1 N 15 153.129 0.10 . 1 . . . A 53 G N1 . 25655 1 823 . 1 1 53 53 G N2 N 15 81.428 0.10 . 1 . . . A 53 G N2 . 25655 1 824 . 1 1 54 54 C H1' H 1 5.590 0.01 . 1 . . . A 54 C H1' . 25655 1 825 . 1 1 54 54 C H2' H 1 4.297 0.01 . 1 . . . A 54 C H2' . 25655 1 826 . 1 1 54 54 C H3' H 1 4.520 0.01 . 1 . . . A 54 C H3' . 25655 1 827 . 1 1 54 54 C H4' H 1 4.460 0.01 . 1 . . . A 54 C H4' . 25655 1 828 . 1 1 54 54 C H5 H 1 5.136 0.01 . 1 . . . A 54 C H5 . 25655 1 829 . 1 1 54 54 C H5' H 1 4.094 0.01 . 1 . . . A 54 C H5' . 25655 1 830 . 1 1 54 54 C H5'' H 1 4.604 0.01 . 1 . . . A 54 C H5'' . 25655 1 831 . 1 1 54 54 C H6 H 1 7.644 0.01 . 1 . . . A 54 C H6 . 25655 1 832 . 1 1 54 54 C H41 H 1 6.649 0.02 . 1 . . . A 54 C H41 . 25655 1 833 . 1 1 54 54 C H42 H 1 8.169 0.02 . 1 . . . A 54 C H42 . 25655 1 834 . 1 1 54 54 C C1' C 13 94.533 0.20 . 1 . . . A 54 C C1' . 25655 1 835 . 1 1 54 54 C C2' C 13 75.238 0.20 . 1 . . . A 54 C C2' . 25655 1 836 . 1 1 54 54 C C3' C 13 71.925 0.20 . 1 . . . A 54 C C3' . 25655 1 837 . 1 1 54 54 C C4' C 13 82.425 0.20 . 1 . . . A 54 C C4' . 25655 1 838 . 1 1 54 54 C C5 C 13 97.001 0.20 . 1 . . . A 54 C C5 . 25655 1 839 . 1 1 54 54 C C5' C 13 64.180 0.20 . 1 . . . A 54 C C5' . 25655 1 840 . 1 1 54 54 C C6 C 13 140.870 0.20 . 1 . . . A 54 C C6 . 25655 1 841 . 1 1 54 54 C N4 N 15 97.969 0.10 . 1 . . . A 54 C N4 . 25655 1 842 . 1 1 55 55 C H1' H 1 5.484 0.01 . 1 . . . A 55 C H1' . 25655 1 843 . 1 1 55 55 C H2' H 1 4.745 0.01 . 1 . . . A 55 C H2' . 25655 1 844 . 1 1 55 55 C H3' H 1 4.547 0.01 . 1 . . . A 55 C H3' . 25655 1 845 . 1 1 55 55 C H5 H 1 5.320 0.01 . 1 . . . A 55 C H5 . 25655 1 846 . 1 1 55 55 C H6 H 1 7.883 0.01 . 1 . . . A 55 C H6 . 25655 1 847 . 1 1 55 55 C H41 H 1 6.684 0.02 . 1 . . . A 55 C H41 . 25655 1 848 . 1 1 55 55 C H42 H 1 8.482 0.02 . 1 . . . A 55 C H42 . 25655 1 849 . 1 1 55 55 C C1' C 13 94.469 0.20 . 1 . . . A 55 C C1' . 25655 1 850 . 1 1 55 55 C C2' C 13 75.026 0.20 . 1 . . . A 55 C C2' . 25655 1 851 . 1 1 55 55 C C3' C 13 71.920 0.20 . 1 . . . A 55 C C3' . 25655 1 852 . 1 1 55 55 C C5 C 13 96.979 0.20 . 1 . . . A 55 C C5 . 25655 1 853 . 1 1 55 55 C C6 C 13 141.490 0.20 . 1 . . . A 55 C C6 . 25655 1 854 . 1 1 55 55 C N4 N 15 97.742 0.10 . 1 . . . A 55 C N4 . 25655 1 855 . 1 1 56 56 C H1' H 1 5.416 0.01 . 1 . . . A 56 C H1' . 25655 1 856 . 1 1 56 56 C H2' H 1 4.543 0.01 . 1 . . . A 56 C H2' . 25655 1 857 . 1 1 56 56 C H3' H 1 4.370 0.01 . 1 . . . A 56 C H3' . 25655 1 858 . 1 1 56 56 C H4' H 1 4.370 0.01 . 1 . . . A 56 C H4' . 25655 1 859 . 1 1 56 56 C H5 H 1 5.414 0.01 . 1 . . . A 56 C H5 . 25655 1 860 . 1 1 56 56 C H6 H 1 7.788 0.01 . 1 . . . A 56 C H6 . 25655 1 861 . 1 1 56 56 C H41 H 1 6.511 0.02 . 1 . . . A 56 C H41 . 25655 1 862 . 1 1 56 56 C H42 H 1 8.154 0.02 . 1 . . . A 56 C H42 . 25655 1 863 . 1 1 56 56 C C1' C 13 93.850 0.20 . 1 . . . A 56 C C1' . 25655 1 864 . 1 1 56 56 C C2' C 13 75.619 0.20 . 1 . . . A 56 C C2' . 25655 1 865 . 1 1 56 56 C C3' C 13 72.140 0.20 . 1 . . . A 56 C C3' . 25655 1 866 . 1 1 56 56 C C4' C 13 81.760 0.20 . 1 . . . A 56 C C4' . 25655 1 867 . 1 1 56 56 C C5 C 13 97.813 0.20 . 1 . . . A 56 C C5 . 25655 1 868 . 1 1 56 56 C C6 C 13 141.272 0.20 . 1 . . . A 56 C C6 . 25655 1 869 . 1 1 56 56 C N4 N 15 98.029 0.10 . 1 . . . A 56 C N4 . 25655 1 870 . 1 1 57 57 G H1 H 1 12.847 0.02 . 1 . . . A 57 G H1 . 25655 1 871 . 1 1 57 57 G H1' H 1 5.673 0.01 . 1 . . . A 57 G H1' . 25655 1 872 . 1 1 57 57 G H2' H 1 4.472 0.01 . 1 . . . A 57 G H2' . 25655 1 873 . 1 1 57 57 G H3' H 1 4.650 0.01 . 1 . . . A 57 G H3' . 25655 1 874 . 1 1 57 57 G H4' H 1 4.472 0.01 . 1 . . . A 57 G H4' . 25655 1 875 . 1 1 57 57 G H5' H 1 4.516 0.01 . 1 . . . A 57 G H5' . 25655 1 876 . 1 1 57 57 G H5'' H 1 4.136 0.01 . 1 . . . A 57 G H5'' . 25655 1 877 . 1 1 57 57 G H8 H 1 7.617 0.01 . 1 . . . A 57 G H8 . 25655 1 878 . 1 1 57 57 G C1' C 13 92.896 0.20 . 1 . . . A 57 G C1' . 25655 1 879 . 1 1 57 57 G C2' C 13 75.070 0.20 . 1 . . . A 57 G C2' . 25655 1 880 . 1 1 57 57 G C3' C 13 72.245 0.20 . 1 . . . A 57 G C3' . 25655 1 881 . 1 1 57 57 G C4' C 13 81.839 0.20 . 1 . . . A 57 G C4' . 25655 1 882 . 1 1 57 57 G C5' C 13 64.184 0.20 . 1 . . . A 57 G C5' . 25655 1 883 . 1 1 57 57 G C8 C 13 136.041 0.20 . 1 . . . A 57 G C8 . 25655 1 884 . 1 1 57 57 G N1 N 15 147.847 0.10 . 1 . . . A 57 G N1 . 25655 1 885 . 1 1 58 58 C H1' H 1 5.489 0.01 . 1 . . . A 58 C H1' . 25655 1 886 . 1 1 58 58 C H2' H 1 4.530 0.01 . 1 . . . A 58 C H2' . 25655 1 887 . 1 1 58 58 C H3' H 1 4.587 0.01 . 1 . . . A 58 C H3' . 25655 1 888 . 1 1 58 58 C H4' H 1 4.431 0.01 . 1 . . . A 58 C H4' . 25655 1 889 . 1 1 58 58 C H5 H 1 5.265 0.01 . 1 . . . A 58 C H5 . 25655 1 890 . 1 1 58 58 C H5' H 1 4.089 0.01 . 1 . . . A 58 C H5' . 25655 1 891 . 1 1 58 58 C H5'' H 1 4.529 0.01 . 1 . . . A 58 C H5'' . 25655 1 892 . 1 1 58 58 C H6 H 1 7.782 0.01 . 1 . . . A 58 C H6 . 25655 1 893 . 1 1 58 58 C H41 H 1 6.639 0.02 . 1 . . . A 58 C H41 . 25655 1 894 . 1 1 58 58 C H42 H 1 8.452 0.02 . 1 . . . A 58 C H42 . 25655 1 895 . 1 1 58 58 C C1' C 13 93.775 0.20 . 1 . . . A 58 C C1' . 25655 1 896 . 1 1 58 58 C C2' C 13 75.231 0.20 . 1 . . . A 58 C C2' . 25655 1 897 . 1 1 58 58 C C3' C 13 71.920 0.20 . 1 . . . A 58 C C3' . 25655 1 898 . 1 1 58 58 C C4' C 13 81.814 0.20 . 1 . . . A 58 C C4' . 25655 1 899 . 1 1 58 58 C C5 C 13 96.974 0.20 . 1 . . . A 58 C C5 . 25655 1 900 . 1 1 58 58 C C5' C 13 64.186 0.20 . 1 . . . A 58 C C5' . 25655 1 901 . 1 1 58 58 C C6 C 13 140.742 0.20 . 1 . . . A 58 C C6 . 25655 1 902 . 1 1 58 58 C N4 N 15 99.385 0.10 . 1 . . . A 58 C N4 . 25655 1 903 . 1 1 59 59 U H1' H 1 5.536 0.01 . 1 . . . A 59 U H1' . 25655 1 904 . 1 1 59 59 U H2' H 1 4.556 0.01 . 1 . . . A 59 U H2' . 25655 1 905 . 1 1 59 59 U H3 H 1 13.505 0.02 . 1 . . . A 59 U H3 . 25655 1 906 . 1 1 59 59 U H3' H 1 4.626 0.01 . 1 . . . A 59 U H3' . 25655 1 907 . 1 1 59 59 U H4' H 1 4.485 0.01 . 1 . . . A 59 U H4' . 25655 1 908 . 1 1 59 59 U H5 H 1 5.410 0.01 . 1 . . . A 59 U H5 . 25655 1 909 . 1 1 59 59 U H6 H 1 7.941 0.01 . 1 . . . A 59 U H6 . 25655 1 910 . 1 1 59 59 U C1' C 13 93.324 0.20 . 1 . . . A 59 U C1' . 25655 1 911 . 1 1 59 59 U C2' C 13 75.247 0.20 . 1 . . . A 59 U C2' . 25655 1 912 . 1 1 59 59 U C3' C 13 72.174 0.20 . 1 . . . A 59 U C3' . 25655 1 913 . 1 1 59 59 U C4' C 13 82.014 0.20 . 1 . . . A 59 U C4' . 25655 1 914 . 1 1 59 59 U C5 C 13 103.400 0.20 . 1 . . . A 59 U C5 . 25655 1 915 . 1 1 59 59 U C6 C 13 141.650 0.20 . 1 . . . A 59 U C6 . 25655 1 916 . 1 1 59 59 U N3 N 15 161.672 0.10 . 1 . . . A 59 U N3 . 25655 1 917 . 1 1 60 60 G H1 H 1 12.600 0.02 . 1 . . . A 60 G H1 . 25655 1 918 . 1 1 60 60 G H1' H 1 5.792 0.01 . 1 . . . A 60 G H1' . 25655 1 919 . 1 1 60 60 G H2' H 1 4.478 0.01 . 1 . . . A 60 G H2' . 25655 1 920 . 1 1 60 60 G H3' H 1 4.591 0.01 . 1 . . . A 60 G H3' . 25655 1 921 . 1 1 60 60 G H4' H 1 4.478 0.01 . 1 . . . A 60 G H4' . 25655 1 922 . 1 1 60 60 G H5' H 1 4.587 0.01 . 1 . . . A 60 G H5' . 25655 1 923 . 1 1 60 60 G H5'' H 1 4.133 0.01 . 1 . . . A 60 G H5'' . 25655 1 924 . 1 1 60 60 G H8 H 1 7.721 0.01 . 1 . . . A 60 G H8 . 25655 1 925 . 1 1 60 60 G C1' C 13 92.716 0.20 . 1 . . . A 60 G C1' . 25655 1 926 . 1 1 60 60 G C2' C 13 75.432 0.20 . 1 . . . A 60 G C2' . 25655 1 927 . 1 1 60 60 G C3' C 13 72.510 0.20 . 1 . . . A 60 G C3' . 25655 1 928 . 1 1 60 60 G C4' C 13 81.838 0.20 . 1 . . . A 60 G C4' . 25655 1 929 . 1 1 60 60 G C5' C 13 64.961 0.20 . 1 . . . A 60 G C5' . 25655 1 930 . 1 1 60 60 G C8 C 13 136.154 0.20 . 1 . . . A 60 G C8 . 25655 1 931 . 1 1 60 60 G N1 N 15 147.633 0.10 . 1 . . . A 60 G N1 . 25655 1 932 . 1 1 61 61 C H1' H 1 5.785 0.01 . 1 . . . A 61 C H1' . 25655 1 933 . 1 1 61 61 C H2' H 1 4.362 0.01 . 1 . . . A 61 C H2' . 25655 1 934 . 1 1 61 61 C H3' H 1 4.434 0.01 . 1 . . . A 61 C H3' . 25655 1 935 . 1 1 61 61 C H4' H 1 4.334 0.01 . 1 . . . A 61 C H4' . 25655 1 936 . 1 1 61 61 C H5 H 1 5.197 0.01 . 1 . . . A 61 C H5 . 25655 1 937 . 1 1 61 61 C H6 H 1 7.464 0.01 . 1 . . . A 61 C H6 . 25655 1 938 . 1 1 61 61 C H41 H 1 6.535 0.02 . 1 . . . A 61 C H41 . 25655 1 939 . 1 1 61 61 C H42 H 1 8.177 0.02 . 1 . . . A 61 C H42 . 25655 1 940 . 1 1 61 61 C C1' C 13 92.728 0.20 . 1 . . . A 61 C C1' . 25655 1 941 . 1 1 61 61 C C2' C 13 74.651 0.20 . 1 . . . A 61 C C2' . 25655 1 942 . 1 1 61 61 C C3' C 13 71.755 0.20 . 1 . . . A 61 C C3' . 25655 1 943 . 1 1 61 61 C C4' C 13 81.646 0.20 . 1 . . . A 61 C C4' . 25655 1 944 . 1 1 61 61 C C5 C 13 97.262 0.20 . 1 . . . A 61 C C5 . 25655 1 945 . 1 1 61 61 C C6 C 13 139.953 0.20 . 1 . . . A 61 C C6 . 25655 1 946 . 1 1 61 61 C N4 N 15 98.520 0.10 . 1 . . . A 61 C N4 . 25655 1 947 . 1 1 62 62 G H1' H 1 5.770 0.01 . 1 . . . A 62 G H1' . 25655 1 948 . 1 1 62 62 G H2' H 1 4.029 0.01 . 1 . . . A 62 G H2' . 25655 1 949 . 1 1 62 62 G H3' H 1 4.234 0.01 . 1 . . . A 62 G H3' . 25655 1 950 . 1 1 62 62 G H4' H 1 4.185 0.01 . 1 . . . A 62 G H4' . 25655 1 951 . 1 1 62 62 G H8 H 1 7.606 0.01 . 1 . . . A 62 G H8 . 25655 1 952 . 1 1 62 62 G C1' C 13 91.737 0.20 . 1 . . . A 62 G C1' . 25655 1 953 . 1 1 62 62 G C2' C 13 77.761 0.20 . 1 . . . A 62 G C2' . 25655 1 954 . 1 1 62 62 G C3' C 13 70.281 0.20 . 1 . . . A 62 G C3' . 25655 1 955 . 1 1 62 62 G C4' C 13 83.947 0.20 . 1 . . . A 62 G C4' . 25655 1 956 . 1 1 62 62 G C8 C 13 137.521 0.20 . 1 . . . A 62 G C8 . 25655 1 stop_ save_