data_25427 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25427 _Entry.Title ; DNA/RNA (28-MER) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-14 _Entry.Accession_date 2015-01-14 _Entry.Last_release_date 2015-12-07 _Entry.Original_release_date 2015-12-07 _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 'NMR, 20 STRUCTURES' _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 Sina Schmidtke . . . . 25427 2 Elke Duchardt-Ferner . . . . 25427 3 Oliver Ohlenschlaeger . . . . 25427 4 Daniel Gottstein . . . . 25427 5 Jens Wohnert . . . . 25427 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' . 25427 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Aminoglycoside . 25427 RNA . 25427 Riboswitch . 25427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 5 25427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 25427 '15N chemical shifts' 20 25427 '1H chemical shifts' 622 25427 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-07 . original BMRB . 25427 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KXM 'Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostmycin complex' 25427 PDB 2MXS 'BMRB Entry Tracking System' 25427 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25427 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; What a difference an OH makes: conformational dynamics as the basis for ligand specificity of the neomycin sensing riboswitch ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sina Schmidtke . . . . 25427 1 2 Elke Duchardt-Ferner . . . . 25427 1 3 Oliver Ohlenschlaeger . . . . 25427 1 4 Daniel Gottstein . . . . 25427 1 5 Jens Wohnert . . . . 25427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25427 _Assembly.ID 1 _Assembly.Name 'DNA/RNA (28-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'DNA/RNA (28-MER)' 1 $RNA_(27-MER) A . yes native no no . . . 25427 1 2 PAROMOMYCIN 2 $entity_PAR B . no native no no . . . 25427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(27-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(27-MER) _Entity.Entry_ID 25427 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(27-MER) _Entity.Type polymer _Entity.Polymer_common_type 'DNA/RNA hybrid' _Entity.Polymer_type 'DNA/RNA hybrid' _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCUGCUUGUCCUUUAAUGG UCCAGUC ; _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 27 _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 3295.044 _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 . 25427 1 2 2 G . 25427 1 3 3 C . 25427 1 4 4 U . 25427 1 5 5 G . 25427 1 6 6 C . 25427 1 7 7 U . 25427 1 8 8 U . 25427 1 9 9 G . 25427 1 10 10 U . 25427 1 11 11 C . 25427 1 12 12 C . 25427 1 13 13 U . 25427 1 14 14 U . 25427 1 15 15 U . 25427 1 16 16 A . 25427 1 17 17 A . 25427 1 18 18 U . 25427 1 19 19 G . 25427 1 20 20 G . 25427 1 21 21 U . 25427 1 22 22 C . 25427 1 23 23 C . 25427 1 24 24 A . 25427 1 25 25 G . 25427 1 26 26 U . 25427 1 27 27 C . 25427 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 25427 1 . G 2 2 25427 1 . C 3 3 25427 1 . U 4 4 25427 1 . G 5 5 25427 1 . C 6 6 25427 1 . U 7 7 25427 1 . U 8 8 25427 1 . G 9 9 25427 1 . U 10 10 25427 1 . C 11 11 25427 1 . C 12 12 25427 1 . U 13 13 25427 1 . U 14 14 25427 1 . U 15 15 25427 1 . A 16 16 25427 1 . A 17 17 25427 1 . U 18 18 25427 1 . G 19 19 25427 1 . G 20 20 25427 1 . U 21 21 25427 1 . C 22 22 25427 1 . C 23 23 25427 1 . A 24 24 25427 1 . G 25 25 25427 1 . U 26 26 25427 1 . C 27 27 25427 1 stop_ save_ save_entity_PAR _Entity.Sf_category entity _Entity.Sf_framecode entity_PAR _Entity.Entry_ID 25427 _Entity.ID 2 _Entity.BMRB_code PAR _Entity.Name PAROMOMYCIN _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 PAR _Entity.Nonpolymer_comp_label $chem_comp_PAR _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 615.628 _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 PAROMOMYCIN BMRB 25427 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID PAROMOMYCIN BMRB 25427 2 PAR 'Three letter code' 25427 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 PAR $chem_comp_PAR 25427 2 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 25427 _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_(27-MER) . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25427 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 25427 _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_(27-MER) . 'obtained from a collaborator' 'in vitro transcription' . . . . . . . . . . . . . . . 25427 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PAR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PAR _Chem_comp.Entry_ID 25427 _Chem_comp.ID PAR _Chem_comp.Provenance PDB _Chem_comp.Name PAROMOMYCIN _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PAR _Chem_comp.PDB_code PAR _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 PAR _Chem_comp.Number_atoms_all 87 _Chem_comp.Number_atoms_nh 42 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 ; _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 'PAROMOMYCIN I, AMMINOSIDIN, CATENULIN, CRESTOMYCIN, MONOMYCIN A, NEOMYCIN E' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C23 H45 N5 O14' _Chem_comp.Formula_weight 615.628 _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 1FJG _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 C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 25427 PAR ; C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25427 PAR ; InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 ; InChI InChI 1.03 25427 PAR ; NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](N)[C@@H](O)[C@@H]1O ; SMILES_CANONICAL CACTVS 3.341 25427 PAR ; NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[CH](N)[CH](O)[CH]1O ; SMILES CACTVS 3.341 25427 PAR O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO SMILES ACDLabs 10.04 25427 PAR UOZODPSAJZTQNH-LSWIJEOBSA-N InChIKey InChI 1.03 25427 PAR 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 ; (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside ; 'SYSTEMATIC NAME' ACDLabs 10.04 25427 PAR ; (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25427 PAR 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 C11 C11 C11 C11 . C . . S 0 . . . 1 no no . . . . 190.683 . 88.111 . -9.450 . -1.080 -0.649 2.633 1 . 25427 PAR O11 O11 O11 O11 . O . . N 0 . . . 1 no no . . . . 191.497 . 89.297 . -9.532 . -0.316 0.450 3.132 2 . 25427 PAR C21 C21 C21 C21 . C . . R 0 . . . 1 no no . . . . 189.371 . 88.414 . -8.700 . -2.376 -0.126 2.009 3 . 25427 PAR N21 N21 N21 N21 . N . . N 0 . . . 1 no no . . . . 188.653 . 89.565 . -9.314 . -2.057 0.767 0.889 4 . 25427 PAR C31 C31 C31 C31 . C . . R 0 . . . 1 no no . . . . 189.683 . 88.700 . -7.188 . -3.167 0.644 3.071 5 . 25427 PAR O31 O31 O31 O31 . O . . N 0 . . . 1 no no . . . . 188.472 . 88.967 . -6.441 . -4.445 1.010 2.549 6 . 25427 PAR C41 C41 C41 C41 . C . . S 0 . . . 1 no no . . . . 190.412 . 87.486 . -6.554 . -3.351 -0.259 4.296 7 . 25427 PAR O41 O41 O41 O41 . O . . N 0 . . . 1 no no . . . . 190.675 . 87.771 . -5.184 . -3.956 0.486 5.355 8 . 25427 PAR C51 C51 C51 C51 . C . . R 0 . . . 1 no no . . . . 191.733 . 87.185 . -7.330 . -1.982 -0.771 4.747 9 . 25427 PAR O51 O51 O51 O51 . O . . N 0 . . . 1 no no . . . . 191.389 . 87.002 . -8.766 . -1.385 -1.540 3.704 10 . 25427 PAR C61 C61 C61 C61 . C . . N 0 . . . 1 no no . . . . 192.432 . 85.898 . -6.785 . -2.153 -1.647 5.990 11 . 25427 PAR O61 O61 O61 O61 . O . . N 0 . . . 1 no no . . . . 193.666 . 85.615 . -7.478 . -0.878 -2.148 6.399 12 . 25427 PAR C12 C12 C12 C12 . C . . R 0 . . . 1 no no . . . . 193.984 . 91.226 . -12.432 . 3.893 0.370 3.563 13 . 25427 PAR N12 N12 N12 N12 . N . . N 0 . . . 1 no no . . . . 195.042 . 91.550 . -13.429 . 5.245 -0.139 3.831 14 . 25427 PAR C22 C22 C22 C22 . C . . N 0 . . . 1 no no . . . . 194.695 . 90.726 . -11.154 . 3.033 0.221 4.819 15 . 25427 PAR C32 C32 C32 C32 . C . . S 0 . . . 1 no no . . . . 193.651 . 90.380 . -10.060 . 1.625 0.752 4.539 16 . 25427 PAR N32 N32 N32 N32 . N . . N 0 . . . 1 no no . . . . 194.403 . 89.894 . -8.885 . 0.799 0.609 5.745 17 . 25427 PAR C42 C42 C42 C42 . C . . R 0 . . . 1 no no . . . . 192.577 . 89.349 . -10.522 . 0.998 -0.045 3.394 18 . 25427 PAR C52 C52 C52 C52 . C . . R 0 . . . 1 no no . . . . 191.961 . 89.780 . -11.860 . 1.858 0.103 2.137 19 . 25427 PAR O52 O52 O52 O52 . O . . N 0 . . . 1 no no . . . . 191.127 . 88.714 . -12.362 . 1.273 -0.641 1.068 20 . 25427 PAR C62 C62 C62 C62 . C . . S 0 . . . 1 no no . . . . 193.029 . 90.090 . -12.902 . 3.266 -0.427 2.418 21 . 25427 PAR O62 O62 O62 O62 . O . . N 0 . . . 1 no no . . . . 192.345 . 90.458 . -14.085 . 4.070 -0.288 1.244 22 . 25427 PAR C13 C13 C13 C13 . C . . S 0 . . . 1 no no . . . . 189.836 . 89.065 . -12.903 . 1.618 0.032 -0.142 23 . 25427 PAR C23 C23 C23 C23 . C . . R 0 . . . 1 no no . . . . 189.409 . 88.119 . -14.000 . 1.022 -0.708 -1.360 24 . 25427 PAR O23 O23 O23 O23 . O . . N 0 . . . 1 no no . . . . 189.985 . 88.500 . -15.258 . 2.006 -1.547 -1.969 25 . 25427 PAR C33 C33 C33 C33 . C . . S 0 . . . 1 no no . . . . 187.835 . 88.084 . -13.889 . 0.607 0.425 -2.323 26 . 25427 PAR O33 O33 O33 O33 . O . . N 0 . . . 1 no no . . . . 187.155 . 89.099 . -14.714 . 1.323 0.323 -3.556 27 . 25427 PAR C43 C43 C43 C43 . C . . R 0 . . . 1 no no . . . . 187.551 . 88.482 . -12.434 . 0.998 1.719 -1.576 28 . 25427 PAR O43 O43 O43 O43 . O . . N 0 . . . 1 no no . . . . 188.826 . 88.962 . -11.867 . 1.017 1.345 -0.179 29 . 25427 PAR C53 C53 C53 C53 . C . . N 0 . . . 1 no no . . . . 186.971 . 87.380 . -11.575 . -0.038 2.818 -1.819 30 . 25427 PAR O53 O53 O53 O53 . O . . N 0 . . . 1 no no . . . . 186.439 . 88.014 . -10.423 . 0.308 3.977 -1.059 31 . 25427 PAR C14 C14 C14 C14 . C . . R 0 . . . 1 no no . . . . 186.864 . 88.657 . -16.024 . 0.504 -0.436 -4.447 32 . 25427 PAR C24 C24 C24 C24 . C . . R 0 . . . 1 no no . . . . 187.390 . 89.586 . -17.128 . 1.222 -0.588 -5.790 33 . 25427 PAR N24 N24 N24 N24 . N . . N 0 . . . 1 no no . . . . 188.838 . 89.972 . -16.927 . 1.444 0.737 -6.382 34 . 25427 PAR C34 C34 C34 C34 . C . . R 0 . . . 1 no no . . . . 186.489 . 90.798 . -17.297 . 0.352 -1.432 -6.729 35 . 25427 PAR O34 O34 O34 O34 . O . . N 0 . . . 1 no no . . . . 186.996 . 91.562 . -18.353 . 0.254 -2.765 -6.223 36 . 25427 PAR C44 C44 C44 C44 . C . . S 0 . . . 1 no no . . . . 185.048 . 90.349 . -17.661 . -1.042 -0.800 -6.802 37 . 25427 PAR O44 O44 O44 O44 . O . . N 0 . . . 1 no no . . . . 184.165 . 91.472 . -17.892 . -0.955 0.476 -7.439 38 . 25427 PAR C54 C54 C54 C54 . C . . S 0 . . . 1 no no . . . . 184.457 . 89.519 . -16.505 . -1.589 -0.633 -5.383 39 . 25427 PAR O54 O54 O54 O54 . O . . N 0 . . . 1 no no . . . . 185.387 . 88.390 . -16.222 . -0.738 0.235 -4.638 40 . 25427 PAR C64 C64 C64 C64 . C . . N 0 . . . 1 no no . . . . 184.192 . 90.395 . -15.230 . -2.996 -0.036 -5.448 41 . 25427 PAR N64 N64 N64 N64 . N . . N 0 . . . 1 no no . . . . 183.462 . 89.617 . -14.178 . -3.524 0.121 -4.086 42 . 25427 PAR H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 190.460 . 87.792 . -10.495 . -0.501 -1.178 1.876 43 . 25427 PAR H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 188.704 . 87.523 . -8.775 . -2.971 -0.965 1.649 44 . 25427 PAR HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 187.784 . 89.765 . -8.817 . -1.539 0.219 0.219 45 . 25427 PAR HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 188.490 . 89.417 . -10.310 . -2.933 1.008 0.451 46 . 25427 PAR H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . 190.336 . 89.602 . -7.143 . -2.618 1.541 3.357 47 . 25427 PAR HO31 HO31 HO31 1HO3 . H . . N 0 . . . 0 no no . . . . 188.660 . 89.140 . -5.526 . -4.911 1.481 3.254 48 . 25427 PAR H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 189.767 . 86.578 . -6.619 . -3.988 -1.103 4.034 49 . 25427 PAR HO41 HO41 HO41 1HO4 . H . . N 0 . . . 0 no no . . . . 191.121 . 87.027 . -4.795 . -4.046 -0.117 6.105 50 . 25427 PAR H51 H51 H51 H51 . H . . N 0 . . . 1 no no . . . . 192.442 . 88.034 . -7.195 . -1.338 0.074 4.987 51 . 25427 PAR H611 H611 H611 1H61 . H . . N 0 . . . 0 no no . . . . 192.592 . 85.961 . -5.683 . -2.586 -1.055 6.796 52 . 25427 PAR H612 H612 H612 2H61 . H . . N 0 . . . 0 no no . . . . 191.743 . 85.021 . -6.812 . -2.814 -2.483 5.758 53 . 25427 PAR HO61 HO61 HO61 1HO6 . H . . N 0 . . . 0 no no . . . . 194.090 . 84.832 . -7.146 . -1.039 -2.750 7.139 54 . 25427 PAR H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 193.372 . 92.144 . -12.273 . 3.950 1.422 3.284 55 . 25427 PAR H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 194.572 . 91.880 . -14.272 . 5.617 0.413 4.589 56 . 25427 PAR H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . 195.676 . 90.771 . -13.604 . 5.136 -1.078 4.184 57 . 25427 PAR H221 H221 H221 1H22 . H . . N 0 . . . 0 no no . . . . 195.376 . 89.869 . -11.364 . 2.976 -0.830 5.098 58 . 25427 PAR H222 H222 H222 2H22 . H . . N 0 . . . 0 no no . . . . 195.455 . 91.454 . -10.788 . 3.480 0.789 5.635 59 . 25427 PAR H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . 193.063 . 91.295 . -9.814 . 1.682 1.804 4.260 60 . 25427 PAR H321 H321 H321 1H32 . H . . N 0 . . . 0 no no . . . . 193.716 . 89.666 . -8.165 . 1.292 1.077 6.491 61 . 25427 PAR H322 H322 H322 2H32 . H . . N 0 . . . 0 no no . . . . 195.115 . 90.550 . -8.565 . -0.045 1.135 5.582 62 . 25427 PAR H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 193.069 . 88.354 . -10.631 . 0.941 -1.097 3.673 63 . 25427 PAR H52 H52 H52 H52 . H . . N 0 . . . 1 no no . . . . 191.366 . 90.705 . -11.678 . 1.916 1.155 1.859 64 . 25427 PAR H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 193.676 . 89.198 . -13.071 . 3.209 -1.479 2.696 65 . 25427 PAR HO62 HO62 HO62 2HO6 . H . . N 0 . . . 0 no no . . . . 191.762 . 89.764 . -14.371 . 4.946 -0.633 1.463 66 . 25427 PAR H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 189.929 . 90.101 . -13.302 . 2.701 0.109 -0.238 67 . 25427 PAR H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 189.785 . 87.073 . -13.904 . 0.153 -1.294 -1.062 68 . 25427 PAR HO23 HO23 HO23 3HO2 . H . . N 0 . . . 0 no no . . . . 189.716 . 87.904 . -15.948 . 2.226 -2.233 -1.324 69 . 25427 PAR H33 H33 H33 H33 . H . . N 0 . . . 1 no no . . . . 187.472 . 87.082 . -14.217 . -0.467 0.398 -2.504 70 . 25427 PAR H43 H43 H43 H43 . H . . N 0 . . . 1 no no . . . . 186.760 . 89.268 . -12.438 . 1.986 2.055 -1.892 71 . 25427 PAR H531 H531 H531 1H53 . H . . N 0 . . . 0 no no . . . . 186.230 . 86.742 . -12.112 . -0.058 3.070 -2.879 72 . 25427 PAR H532 H532 H532 2H53 . H . . N 0 . . . 0 no no . . . . 187.701 . 86.571 . -11.338 . -1.022 2.463 -1.511 73 . 25427 PAR HO53 HO53 HO53 3HO5 . H . . N 0 . . . 0 no no . . . . 186.074 . 87.322 . -9.883 . -0.368 4.643 -1.241 74 . 25427 PAR H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 187.418 . 87.694 . -16.124 . 0.321 -1.422 -4.020 75 . 25427 PAR H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . 187.361 . 89.009 . -18.081 . 2.181 -1.084 -5.637 76 . 25427 PAR H241 H241 H241 1H24 . H . . N 0 . . . 0 no no . . . . 189.187 . 90.589 . -17.660 . 2.013 1.255 -5.728 77 . 25427 PAR H242 H242 H242 2H24 . H . . N 0 . . . 0 no no . . . . 189.427 . 89.144 . -16.833 . 2.008 0.595 -7.207 78 . 25427 PAR H34 H34 H34 H34 . H . . N 0 . . . 1 no no . . . . 186.459 . 91.382 . -16.347 . 0.799 -1.450 -7.723 79 . 25427 PAR HO34 HO34 HO34 4HO3 . H . . N 0 . . . 0 no no . . . . 186.432 . 92.319 . -18.458 . -0.299 -3.259 -6.842 80 . 25427 PAR H44 H44 H44 H44 . H . . N 0 . . . 1 no no . . . . 185.122 . 89.750 . -18.598 . -1.706 -1.448 -7.374 81 . 25427 PAR HO44 HO44 HO44 4HO4 . H . . N 0 . . . 0 no no . . . . 183.283 . 91.197 . -18.114 . -0.601 0.322 -8.326 82 . 25427 PAR H54 H54 H54 H54 . H . . N 0 . . . 1 no no . . . . 183.461 . 89.116 . -16.804 . -1.631 -1.606 -4.894 83 . 25427 PAR H641 H641 H641 1H64 . H . . N 0 . . . 0 no no . . . . 185.136 . 90.835 . -14.832 . -3.647 -0.700 -6.015 84 . 25427 PAR H642 H642 H642 2H64 . H . . N 0 . . . 0 no no . . . . 183.657 . 91.339 . -15.486 . -2.955 0.937 -5.937 85 . 25427 PAR HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 183.289 . 90.186 . -13.349 . -4.448 0.516 -4.177 86 . 25427 PAR HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 183.951 . 88.753 . -13.943 . -3.641 -0.807 -3.711 87 . 25427 PAR 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 C11 O11 no N 1 . 25427 PAR 2 . SING C11 C21 no N 2 . 25427 PAR 3 . SING C11 O51 no N 3 . 25427 PAR 4 . SING C11 H11 no N 4 . 25427 PAR 5 . SING O11 C42 no N 5 . 25427 PAR 6 . SING C21 N21 no N 6 . 25427 PAR 7 . SING C21 C31 no N 7 . 25427 PAR 8 . SING C21 H21 no N 8 . 25427 PAR 9 . SING N21 HN21 no N 9 . 25427 PAR 10 . SING N21 HN22 no N 10 . 25427 PAR 11 . SING C31 O31 no N 11 . 25427 PAR 12 . SING C31 C41 no N 12 . 25427 PAR 13 . SING C31 H31 no N 13 . 25427 PAR 14 . SING O31 HO31 no N 14 . 25427 PAR 15 . SING C41 O41 no N 15 . 25427 PAR 16 . SING C41 C51 no N 16 . 25427 PAR 17 . SING C41 H41 no N 17 . 25427 PAR 18 . SING O41 HO41 no N 18 . 25427 PAR 19 . SING C51 O51 no N 19 . 25427 PAR 20 . SING C51 C61 no N 20 . 25427 PAR 21 . SING C51 H51 no N 21 . 25427 PAR 22 . SING C61 O61 no N 22 . 25427 PAR 23 . SING C61 H611 no N 23 . 25427 PAR 24 . SING C61 H612 no N 24 . 25427 PAR 25 . SING O61 HO61 no N 25 . 25427 PAR 26 . SING C12 N12 no N 26 . 25427 PAR 27 . SING C12 C22 no N 27 . 25427 PAR 28 . SING C12 C62 no N 28 . 25427 PAR 29 . SING C12 H12 no N 29 . 25427 PAR 30 . SING N12 H121 no N 30 . 25427 PAR 31 . SING N12 H122 no N 31 . 25427 PAR 32 . SING C22 C32 no N 32 . 25427 PAR 33 . SING C22 H221 no N 33 . 25427 PAR 34 . SING C22 H222 no N 34 . 25427 PAR 35 . SING C32 N32 no N 35 . 25427 PAR 36 . SING C32 C42 no N 36 . 25427 PAR 37 . SING C32 H32 no N 37 . 25427 PAR 38 . SING N32 H321 no N 38 . 25427 PAR 39 . SING N32 H322 no N 39 . 25427 PAR 40 . SING C42 C52 no N 40 . 25427 PAR 41 . SING C42 H42 no N 41 . 25427 PAR 42 . SING C52 O52 no N 42 . 25427 PAR 43 . SING C52 C62 no N 43 . 25427 PAR 44 . SING C52 H52 no N 44 . 25427 PAR 45 . SING O52 C13 no N 45 . 25427 PAR 46 . SING C62 O62 no N 46 . 25427 PAR 47 . SING C62 H62 no N 47 . 25427 PAR 48 . SING O62 HO62 no N 48 . 25427 PAR 49 . SING C13 C23 no N 49 . 25427 PAR 50 . SING C13 O43 no N 50 . 25427 PAR 51 . SING C13 H13 no N 51 . 25427 PAR 52 . SING C23 O23 no N 52 . 25427 PAR 53 . SING C23 C33 no N 53 . 25427 PAR 54 . SING C23 H23 no N 54 . 25427 PAR 55 . SING O23 HO23 no N 55 . 25427 PAR 56 . SING C33 O33 no N 56 . 25427 PAR 57 . SING C33 C43 no N 57 . 25427 PAR 58 . SING C33 H33 no N 58 . 25427 PAR 59 . SING O33 C14 no N 59 . 25427 PAR 60 . SING C43 O43 no N 60 . 25427 PAR 61 . SING C43 C53 no N 61 . 25427 PAR 62 . SING C43 H43 no N 62 . 25427 PAR 63 . SING C53 O53 no N 63 . 25427 PAR 64 . SING C53 H531 no N 64 . 25427 PAR 65 . SING C53 H532 no N 65 . 25427 PAR 66 . SING O53 HO53 no N 66 . 25427 PAR 67 . SING C14 C24 no N 67 . 25427 PAR 68 . SING C14 O54 no N 68 . 25427 PAR 69 . SING C14 H14 no N 69 . 25427 PAR 70 . SING C24 N24 no N 70 . 25427 PAR 71 . SING C24 C34 no N 71 . 25427 PAR 72 . SING C24 H24 no N 72 . 25427 PAR 73 . SING N24 H241 no N 73 . 25427 PAR 74 . SING N24 H242 no N 74 . 25427 PAR 75 . SING C34 O34 no N 75 . 25427 PAR 76 . SING C34 C44 no N 76 . 25427 PAR 77 . SING C34 H34 no N 77 . 25427 PAR 78 . SING O34 HO34 no N 78 . 25427 PAR 79 . SING C44 O44 no N 79 . 25427 PAR 80 . SING C44 C54 no N 80 . 25427 PAR 81 . SING C44 H44 no N 81 . 25427 PAR 82 . SING O44 HO44 no N 82 . 25427 PAR 83 . SING C54 O54 no N 83 . 25427 PAR 84 . SING C54 C64 no N 84 . 25427 PAR 85 . SING C54 H54 no N 85 . 25427 PAR 86 . SING C64 N64 no N 86 . 25427 PAR 87 . SING C64 H641 no N 87 . 25427 PAR 88 . SING C64 H642 no N 88 . 25427 PAR 89 . SING N64 HN61 no N 89 . 25427 PAR 90 . SING N64 HN62 no N 90 . 25427 PAR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25427 _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 (27-MER)' 'natural abundance' . . 1 $RNA_(27-MER) . . 0.64 . . mM . . . . 25427 1 2 Paromomycin 'natural abundance' . . 2 $entity_PAR . . 0.64 . . mM . . . . 25427 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25427 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25427 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25427 _Sample.ID 2 _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 (27-MER)' '13C; 15N' . . 1 $RNA_(27-MER) . . 0.89 . . mM . . . . 25427 2 2 Paromomycin 'natural abundance' . . 2 $entity_PAR . . 0.89 . . mM . . . . 25427 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25427 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25427 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25427 _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 (27-MER)' '13C; 15N' . . 1 $RNA_(27-MER) . . 0.89 . . mM . . . . 25427 3 2 Paromomycin 'natural abundance' . . 2 $entity_PAR . . 0.89 . . mM . . . . 25427 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25427 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25427 _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 (27-MER)' 'G-]13C; 15N]' . . 1 $RNA_(27-MER) . . 0.62 . . mM . . . . 25427 4 2 Paromomycin 'natural abundance' . . 2 $entity_PAR . . 0.62 . . mM . . . . 25427 4 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25427 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25427 _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 6.2 . pH 25427 1 pressure 1 . atm 25427 1 temperature 283 . K 25427 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25427 _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 6.2 . pH 25427 2 pressure 1 . atm 25427 2 temperature 298 . K 25427 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25427 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25427 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25427 1 processing 25427 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25427 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25427 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25427 2 'peak integration' 25427 2 'peak picking' 25427 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25427 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25427 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25427 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25427 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25427 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25427 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25427 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 25427 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_6 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_6 _NMR_spectrometer.Entry_ID 25427 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 25427 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 25427 1 2 spectrometer_2 Bruker Avance . 600 . . . 25427 1 3 spectrometer_3 Bruker Avance . 700 . . . 25427 1 4 spectrometer_4 Bruker Avance . 800 . . . 25427 1 5 spectrometer_5 Bruker Avance . 900 . . . 25427 1 6 spectrometer_6 Bruker Avance . 950 . . . 25427 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 25427 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 6 $spectrometer_6 . . . . . . . . . . . . . . . . 25427 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25427 1 3 '2D 1H-13C HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25427 1 4 '2D 1H-15N H56C56C4N3H' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25427 1 5 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25427 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 9 '3D 1H-13C NOESY-HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25427 1 10 '3D 1H-13C NOESY-HMQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25427 1 11 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 13 '2D 1H-15N lrHSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 14 '2D DQF-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25427 1 15 '2D 1H-31P HCP' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25427 1 16 '3D HCCH-TOCSY-E.COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25427 1 17 '2D 13C filter NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 18 '2D 13C filter TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25427 1 19 '2D quant 31P coupled 1H, 13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25427 1 20 '2D quant 31P coupled 1H-13C HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25427 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 25427 _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 TSP 'methyl protons' . . . . Hz 0 external indirect 0.252 'separate tube (no insert) similar to the experimental sample tube' . . . . 25427 1 H 1 TSP 'methyl protons' . . . . Hz 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 25427 1 N 15 TSP 'methyl protons' . . . . Hz 0 external indirect 0.101 'separate tube (no insert) similar to the experimental sample tube' . . . . 25427 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 25427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 25427 1 2 '2D 1H-15N HSQC' . . . 25427 1 3 '2D 1H-13C HNCO' . . . 25427 1 4 '2D 1H-15N H56C56C4N3H' . . . 25427 1 5 '2D 1H-15N HSQC NH2 only' . . . 25427 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 12.733 0.014 . . . . . A 1 G H1 . 25427 1 2 . 1 1 1 1 G H1' H 1 5.582 0.007 . . . . . A 1 G H1' . 25427 1 3 . 1 1 1 1 G H8 H 1 7.947 0.003 . . . . . A 1 G H8 . 25427 1 4 . 1 1 1 1 G C1' C 13 89.314 0.005 . . . . . A 1 G C1' . 25427 1 5 . 1 1 1 1 G C2 C 13 153.373 0.000 . . . . . A 1 G C2 . 25427 1 6 . 1 1 1 1 G C6 C 13 159.926 0.000 . . . . . A 1 G C6 . 25427 1 7 . 1 1 1 1 G C8 C 13 136.261 0.000 . . . . . A 1 G C8 . 25427 1 8 . 1 1 1 1 G N1 N 15 154.189 0.000 . . . . . A 1 G N1 . 25427 1 9 . 1 1 2 2 G H1 H 1 11.482 0.013 . . . . . A 2 G H1 . 25427 1 10 . 1 1 2 2 G H1' H 1 5.680 0.008 . . . . . A 2 G H1' . 25427 1 11 . 1 1 2 2 G H3' H 1 4.193 0.000 . . . . . A 2 G H3' . 25427 1 12 . 1 1 2 2 G H8 H 1 7.324 0.009 . . . . . A 2 G H8 . 25427 1 13 . 1 1 2 2 G H22 H 1 6.086 0.019 . . . . . A 2 G H22 . 25427 1 14 . 1 1 2 2 G C1' C 13 90.536 0.061 . . . . . A 2 G C1' . 25427 1 15 . 1 1 2 2 G C2 C 13 152.879 0.000 . . . . . A 2 G C2 . 25427 1 16 . 1 1 2 2 G C6 C 13 158.551 0.000 . . . . . A 2 G C6 . 25427 1 17 . 1 1 2 2 G C8 C 13 134.320 0.000 . . . . . A 2 G C8 . 25427 1 18 . 1 1 2 2 G N1 N 15 153.149 0.000 . . . . . A 2 G N1 . 25427 1 19 . 1 1 3 3 C H1' H 1 5.323 0.031 . . . . . A 3 C H1' . 25427 1 20 . 1 1 3 3 C H5 H 1 5.227 0.024 . . . . . A 3 C H5 . 25427 1 21 . 1 1 3 3 C H6 H 1 7.500 0.007 . . . . . A 3 C H6 . 25427 1 22 . 1 1 3 3 C H41 H 1 8.010 0.017 . . . . . A 3 C H41 . 25427 1 23 . 1 1 3 3 C H42 H 1 6.823 0.018 . . . . . A 3 C H42 . 25427 1 24 . 1 1 3 3 C C1' C 13 91.650 0.010 . . . . . A 3 C C1' . 25427 1 25 . 1 1 3 3 C C5 C 13 94.480 0.013 . . . . . A 3 C C5 . 25427 1 26 . 1 1 3 3 C C6 C 13 137.776 0.000 . . . . . A 3 C C6 . 25427 1 27 . 1 1 3 3 C N4 N 15 98.613 0.000 . . . . . A 3 C N4 . 25427 1 28 . 1 1 4 4 U H1' H 1 5.282 0.013 . . . . . A 4 U H1' . 25427 1 29 . 1 1 4 4 U H3 H 1 13.657 0.014 . . . . . A 4 U H3 . 25427 1 30 . 1 1 4 4 U H3' H 1 4.362 0.000 . . . . . A 4 U H3' . 25427 1 31 . 1 1 4 4 U H5 H 1 5.189 0.011 . . . . . A 4 U H5 . 25427 1 32 . 1 1 4 4 U H6 H 1 7.666 0.017 . . . . . A 4 U H6 . 25427 1 33 . 1 1 4 4 U C1' C 13 91.423 0.219 . . . . . A 4 U C1' . 25427 1 34 . 1 1 4 4 U C2 C 13 149.914 0.000 . . . . . A 4 U C2 . 25427 1 35 . 1 1 4 4 U C4 C 13 166.564 0.000 . . . . . A 4 U C4 . 25427 1 36 . 1 1 4 4 U C5 C 13 100.003 0.051 . . . . . A 4 U C5 . 25427 1 37 . 1 1 4 4 U C6 C 13 139.338 0.000 . . . . . A 4 U C6 . 25427 1 38 . 1 1 4 4 U N3 N 15 159.624 0.000 . . . . . A 4 U N3 . 25427 1 39 . 1 1 5 5 G H1 H 1 12.171 0.013 . . . . . A 5 G H1 . 25427 1 40 . 1 1 5 5 G H1' H 1 5.597 0.008 . . . . . A 5 G H1' . 25427 1 41 . 1 1 5 5 G H4' H 1 4.359 0.000 . . . . . A 5 G H4' . 25427 1 42 . 1 1 5 5 G H8 H 1 7.762 0.011 . . . . . A 5 G H8 . 25427 1 43 . 1 1 5 5 G H21 H 1 6.866 0.542 . . . . . A 5 G H21 . 25427 1 44 . 1 1 5 5 G H22 H 1 5.104 0.037 . . . . . A 5 G H22 . 25427 1 45 . 1 1 5 5 G C1' C 13 86.261 0.019 . . . . . A 5 G C1' . 25427 1 46 . 1 1 5 5 G C2 C 13 153.223 0.000 . . . . . A 5 G C2 . 25427 1 47 . 1 1 5 5 G C6 C 13 159.023 0.000 . . . . . A 5 G C6 . 25427 1 48 . 1 1 5 5 G C8 C 13 135.725 0.000 . . . . . A 5 G C8 . 25427 1 49 . 1 1 5 5 G N1 N 15 153.787 0.000 . . . . . A 5 G N1 . 25427 1 50 . 1 1 6 6 C H1' H 1 5.375 0.014 . . . . . A 6 C H1' . 25427 1 51 . 1 1 6 6 C H2' H 1 3.952 0.000 . . . . . A 6 C H2' . 25427 1 52 . 1 1 6 6 C H4' H 1 4.108 0.000 . . . . . A 6 C H4' . 25427 1 53 . 1 1 6 6 C H5 H 1 5.664 0.009 . . . . . A 6 C H5 . 25427 1 54 . 1 1 6 6 C H6 H 1 7.649 0.026 . . . . . A 6 C H6 . 25427 1 55 . 1 1 6 6 C C1' C 13 88.699 0.001 . . . . . A 6 C C1' . 25427 1 56 . 1 1 6 6 C C5 C 13 95.862 0.023 . . . . . A 6 C C5 . 25427 1 57 . 1 1 6 6 C C6 C 13 139.610 0.000 . . . . . A 6 C C6 . 25427 1 58 . 1 1 6 6 C N4 N 15 92.935 0.000 . . . . . A 6 C N4 . 25427 1 59 . 1 1 7 7 U H1' H 1 5.787 0.013 . . . . . A 7 U H1' . 25427 1 60 . 1 1 7 7 U H3' H 1 4.389 0.007 . . . . . A 7 U H3' . 25427 1 61 . 1 1 7 7 U H5 H 1 5.634 0.007 . . . . . A 7 U H5 . 25427 1 62 . 1 1 7 7 U H6 H 1 7.670 0.040 . . . . . A 7 U H6 . 25427 1 63 . 1 1 7 7 U C1' C 13 87.340 0.079 . . . . . A 7 U C1' . 25427 1 64 . 1 1 7 7 U C5 C 13 102.513 0.000 . . . . . A 7 U C5 . 25427 1 65 . 1 1 7 7 U C6 C 13 141.122 0.000 . . . . . A 7 U C6 . 25427 1 66 . 1 1 8 8 U H1' H 1 5.851 0.013 . . . . . A 8 U H1' . 25427 1 67 . 1 1 8 8 U H3' H 1 4.493 0.006 . . . . . A 8 U H3' . 25427 1 68 . 1 1 8 8 U H5 H 1 5.738 0.014 . . . . . A 8 U H5 . 25427 1 69 . 1 1 8 8 U H6 H 1 7.677 0.034 . . . . . A 8 U H6 . 25427 1 70 . 1 1 8 8 U C1' C 13 87.360 0.044 . . . . . A 8 U C1' . 25427 1 71 . 1 1 8 8 U C5 C 13 102.916 0.126 . . . . . A 8 U C5 . 25427 1 72 . 1 1 8 8 U C6 C 13 141.074 0.000 . . . . . A 8 U C6 . 25427 1 73 . 1 1 9 9 G H1 H 1 13.643 0.012 . . . . . A 9 G H1 . 25427 1 74 . 1 1 9 9 G H1' H 1 5.507 0.004 . . . . . A 9 G H1' . 25427 1 75 . 1 1 9 9 G H8 H 1 7.606 0.006 . . . . . A 9 G H8 . 25427 1 76 . 1 1 9 9 G H21 H 1 7.034 1.090 . . . . . A 9 G H21 . 25427 1 77 . 1 1 9 9 G H22 H 1 5.938 0.014 . . . . . A 9 G H22 . 25427 1 78 . 1 1 9 9 G C1' C 13 91.648 0.046 . . . . . A 9 G C1' . 25427 1 79 . 1 1 9 9 G C2 C 13 153.760 0.000 . . . . . A 9 G C2 . 25427 1 80 . 1 1 9 9 G C6 C 13 158.572 0.000 . . . . . A 9 G C6 . 25427 1 81 . 1 1 9 9 G C8 C 13 134.257 0.000 . . . . . A 9 G C8 . 25427 1 82 . 1 1 9 9 G N1 N 15 154.473 0.000 . . . . . A 9 G N1 . 25427 1 83 . 1 1 10 10 U H1' H 1 5.324 0.009 . . . . . A 10 U H1' . 25427 1 84 . 1 1 10 10 U H2' H 1 3.458 0.006 . . . . . A 10 U H2' . 25427 1 85 . 1 1 10 10 U H3 H 1 10.986 0.013 . . . . . A 10 U H3 . 25427 1 86 . 1 1 10 10 U H5 H 1 4.896 0.007 . . . . . A 10 U H5 . 25427 1 87 . 1 1 10 10 U H6 H 1 7.523 0.007 . . . . . A 10 U H6 . 25427 1 88 . 1 1 10 10 U C1' C 13 91.337 0.065 . . . . . A 10 U C1' . 25427 1 89 . 1 1 10 10 U C2 C 13 151.031 0.000 . . . . . A 10 U C2 . 25427 1 90 . 1 1 10 10 U C4 C 13 163.621 0.000 . . . . . A 10 U C4 . 25427 1 91 . 1 1 10 10 U C5 C 13 99.624 0.000 . . . . . A 10 U C5 . 25427 1 92 . 1 1 10 10 U C6 C 13 138.960 0.000 . . . . . A 10 U C6 . 25427 1 93 . 1 1 10 10 U N3 N 15 158.442 0.000 . . . . . A 10 U N3 . 25427 1 94 . 1 1 11 11 C H5 H 1 5.537 0.010 . . . . . A 11 C H5 . 25427 1 95 . 1 1 11 11 C H6 H 1 7.471 0.002 . . . . . A 11 C H6 . 25427 1 96 . 1 1 11 11 C H41 H 1 7.779 0.016 . . . . . A 11 C H41 . 25427 1 97 . 1 1 11 11 C H42 H 1 6.774 0.018 . . . . . A 11 C H42 . 25427 1 98 . 1 1 11 11 C C5 C 13 96.043 0.065 . . . . . A 11 C C5 . 25427 1 99 . 1 1 11 11 C C6 C 13 139.986 0.000 . . . . . A 11 C C6 . 25427 1 100 . 1 1 11 11 C N4 N 15 104.328 0.000 . . . . . A 11 C N4 . 25427 1 101 . 1 1 12 12 C H1' H 1 5.340 0.009 . . . . . A 12 C H1' . 25427 1 102 . 1 1 12 12 C H3' H 1 3.809 0.000 . . . . . A 12 C H3' . 25427 1 103 . 1 1 12 12 C H5 H 1 4.860 0.038 . . . . . A 12 C H5 . 25427 1 104 . 1 1 12 12 C H41 H 1 7.872 0.019 . . . . . A 12 C H41 . 25427 1 105 . 1 1 12 12 C H42 H 1 6.375 0.022 . . . . . A 12 C H42 . 25427 1 106 . 1 1 12 12 C C1' C 13 91.412 0.023 . . . . . A 12 C C1' . 25427 1 107 . 1 1 12 12 C C5 C 13 94.409 0.551 . . . . . A 12 C C5 . 25427 1 108 . 1 1 12 12 C N4 N 15 97.166 0.000 . . . . . A 12 C N4 . 25427 1 109 . 1 1 13 13 U H1' H 1 5.465 0.008 . . . . . A 13 U H1' . 25427 1 110 . 1 1 13 13 U H2' H 1 3.918 0.014 . . . . . A 13 U H2' . 25427 1 111 . 1 1 13 13 U H3 H 1 11.660 0.013 . . . . . A 13 U H3 . 25427 1 112 . 1 1 13 13 U H3' H 1 4.184 0.000 . . . . . A 13 U H3' . 25427 1 113 . 1 1 13 13 U H5 H 1 5.166 0.150 . . . . . A 13 U H5 . 25427 1 114 . 1 1 13 13 U H6 H 1 7.649 0.011 . . . . . A 13 U H6 . 25427 1 115 . 1 1 13 13 U C1' C 13 90.596 0.006 . . . . . A 13 U C1' . 25427 1 116 . 1 1 13 13 U C2 C 13 151.719 0.000 . . . . . A 13 U C2 . 25427 1 117 . 1 1 13 13 U C4 C 13 163.385 0.000 . . . . . A 13 U C4 . 25427 1 118 . 1 1 13 13 U C5 C 13 101.396 0.962 . . . . . A 13 U C5 . 25427 1 119 . 1 1 13 13 U C6 C 13 137.476 0.000 . . . . . A 13 U C6 . 25427 1 120 . 1 1 13 13 U N3 N 15 157.993 0.000 . . . . . A 13 U N3 . 25427 1 121 . 1 1 14 14 U H1' H 1 5.168 0.010 . . . . . A 14 U H1' . 25427 1 122 . 1 1 14 14 U H2' H 1 4.588 0.007 . . . . . A 14 U H2' . 25427 1 123 . 1 1 14 14 U H3 H 1 10.784 0.012 . . . . . A 14 U H3 . 25427 1 124 . 1 1 14 14 U H3' H 1 4.156 0.009 . . . . . A 14 U H3' . 25427 1 125 . 1 1 14 14 U H4' H 1 3.994 0.003 . . . . . A 14 U H4' . 25427 1 126 . 1 1 14 14 U H5 H 1 5.016 0.014 . . . . . A 14 U H5 . 25427 1 127 . 1 1 14 14 U H6 H 1 7.229 0.009 . . . . . A 14 U H6 . 25427 1 128 . 1 1 14 14 U HO2' H 1 8.803 0.000 . . . . . A 14 U HO2' . 25427 1 129 . 1 1 14 14 U C1' C 13 91.587 0.107 . . . . . A 14 U C1' . 25427 1 130 . 1 1 14 14 U C2 C 13 150.021 0.000 . . . . . A 14 U C2 . 25427 1 131 . 1 1 14 14 U C4 C 13 166.092 0.000 . . . . . A 14 U C4 . 25427 1 132 . 1 1 14 14 U C5 C 13 99.905 0.149 . . . . . A 14 U C5 . 25427 1 133 . 1 1 14 14 U C6 C 13 139.070 0.000 . . . . . A 14 U C6 . 25427 1 134 . 1 1 14 14 U N3 N 15 158.395 0.000 . . . . . A 14 U N3 . 25427 1 135 . 1 1 15 15 U H1' H 1 5.056 0.016 . . . . . A 15 U H1' . 25427 1 136 . 1 1 15 15 U H3' H 1 4.008 0.000 . . . . . A 15 U H3' . 25427 1 137 . 1 1 15 15 U H4' H 1 3.902 0.001 . . . . . A 15 U H4' . 25427 1 138 . 1 1 15 15 U H5 H 1 5.434 0.010 . . . . . A 15 U H5 . 25427 1 139 . 1 1 15 15 U H6 H 1 7.401 0.009 . . . . . A 15 U H6 . 25427 1 140 . 1 1 15 15 U C1' C 13 91.780 0.016 . . . . . A 15 U C1' . 25427 1 141 . 1 1 15 15 U C5 C 13 101.113 0.115 . . . . . A 15 U C5 . 25427 1 142 . 1 1 15 15 U C6 C 13 139.977 0.000 . . . . . A 15 U C6 . 25427 1 143 . 1 1 16 16 A H1' H 1 6.025 0.010 . . . . . A 16 A H1' . 25427 1 144 . 1 1 16 16 A H2 H 1 8.077 0.011 . . . . . A 16 A H2 . 25427 1 145 . 1 1 16 16 A H2' H 1 3.788 0.013 . . . . . A 16 A H2' . 25427 1 146 . 1 1 16 16 A H4' H 1 3.975 0.009 . . . . . A 16 A H4' . 25427 1 147 . 1 1 16 16 A H8 H 1 7.941 0.010 . . . . . A 16 A H8 . 25427 1 148 . 1 1 16 16 A H62 H 1 6.487 0.000 . . . . . A 16 A H62 . 25427 1 149 . 1 1 16 16 A C1' C 13 90.114 0.017 . . . . . A 16 A C1' . 25427 1 150 . 1 1 16 16 A C2 C 13 152.768 0.000 . . . . . A 16 A C2 . 25427 1 151 . 1 1 16 16 A C8 C 13 139.749 0.000 . . . . . A 16 A C8 . 25427 1 152 . 1 1 17 17 A H1' H 1 5.982 0.011 . . . . . A 17 A H1' . 25427 1 153 . 1 1 17 17 A H2 H 1 7.869 0.004 . . . . . A 17 A H2 . 25427 1 154 . 1 1 17 17 A H2' H 1 4.901 0.000 . . . . . A 17 A H2' . 25427 1 155 . 1 1 17 17 A H3' H 1 4.861 0.006 . . . . . A 17 A H3' . 25427 1 156 . 1 1 17 17 A H4' H 1 4.120 0.000 . . . . . A 17 A H4' . 25427 1 157 . 1 1 17 17 A H8 H 1 8.228 0.007 . . . . . A 17 A H8 . 25427 1 158 . 1 1 17 17 A C1' C 13 85.204 0.005 . . . . . A 17 A C1' . 25427 1 159 . 1 1 17 17 A C2 C 13 152.958 0.000 . . . . . A 17 A C2 . 25427 1 160 . 1 1 17 17 A C8 C 13 138.613 0.000 . . . . . A 17 A C8 . 25427 1 161 . 1 1 18 18 U H1' H 1 4.278 0.049 . . . . . A 18 U H1' . 25427 1 162 . 1 1 18 18 U H2' H 1 4.049 0.000 . . . . . A 18 U H2' . 25427 1 163 . 1 1 18 18 U H3 H 1 9.949 0.012 . . . . . A 18 U H3 . 25427 1 164 . 1 1 18 18 U H3' H 1 3.836 0.003 . . . . . A 18 U H3' . 25427 1 165 . 1 1 18 18 U H4' H 1 2.969 0.016 . . . . . A 18 U H4' . 25427 1 166 . 1 1 18 18 U H5 H 1 5.629 0.013 . . . . . A 18 U H5 . 25427 1 167 . 1 1 18 18 U H6 H 1 6.816 0.304 . . . . . A 18 U H6 . 25427 1 168 . 1 1 18 18 U C1' C 13 90.436 0.024 . . . . . A 18 U C1' . 25427 1 169 . 1 1 18 18 U C2 C 13 149.613 0.000 . . . . . A 18 U C2 . 25427 1 170 . 1 1 18 18 U C4 C 13 166.521 0.000 . . . . . A 18 U C4 . 25427 1 171 . 1 1 18 18 U C5 C 13 103.415 0.282 . . . . . A 18 U C5 . 25427 1 172 . 1 1 18 18 U C6 C 13 137.192 0.000 . . . . . A 18 U C6 . 25427 1 173 . 1 1 18 18 U N3 N 15 156.836 0.000 . . . . . A 18 U N3 . 25427 1 174 . 1 1 19 19 G H1 H 1 12.830 0.011 . . . . . A 19 G H1 . 25427 1 175 . 1 1 19 19 G H1' H 1 5.597 0.006 . . . . . A 19 G H1' . 25427 1 176 . 1 1 19 19 G H2' H 1 4.634 0.000 . . . . . A 19 G H2' . 25427 1 177 . 1 1 19 19 G H3' H 1 4.483 0.000 . . . . . A 19 G H3' . 25427 1 178 . 1 1 19 19 G H4' H 1 4.115 0.004 . . . . . A 19 G H4' . 25427 1 179 . 1 1 19 19 G H8 H 1 7.239 0.009 . . . . . A 19 G H8 . 25427 1 180 . 1 1 19 19 G H21 H 1 8.834 0.015 . . . . . A 19 G H21 . 25427 1 181 . 1 1 19 19 G H22 H 1 6.430 0.017 . . . . . A 19 G H22 . 25427 1 182 . 1 1 19 19 G C1' C 13 88.877 0.076 . . . . . A 19 G C1' . 25427 1 183 . 1 1 19 19 G C2 C 13 153.889 0.000 . . . . . A 19 G C2 . 25427 1 184 . 1 1 19 19 G C6 C 13 158.486 0.000 . . . . . A 19 G C6 . 25427 1 185 . 1 1 19 19 G C8 C 13 133.673 0.000 . . . . . A 19 G C8 . 25427 1 186 . 1 1 19 19 G N1 N 15 154.189 0.000 . . . . . A 19 G N1 . 25427 1 187 . 1 1 20 20 G H1 H 1 12.847 0.013 . . . . . A 20 G H1 . 25427 1 188 . 1 1 20 20 G H1' H 1 5.133 0.008 . . . . . A 20 G H1' . 25427 1 189 . 1 1 20 20 G H3' H 1 3.797 0.016 . . . . . A 20 G H3' . 25427 1 190 . 1 1 20 20 G H8 H 1 6.961 0.031 . . . . . A 20 G H8 . 25427 1 191 . 1 1 20 20 G H21 H 1 8.002 0.015 . . . . . A 20 G H21 . 25427 1 192 . 1 1 20 20 G H22 H 1 5.612 0.018 . . . . . A 20 G H22 . 25427 1 193 . 1 1 20 20 G C1' C 13 90.469 0.068 . . . . . A 20 G C1' . 25427 1 194 . 1 1 20 20 G C2 C 13 153.588 0.000 . . . . . A 20 G C2 . 25427 1 195 . 1 1 20 20 G C6 C 13 159.066 0.000 . . . . . A 20 G C6 . 25427 1 196 . 1 1 20 20 G C8 C 13 134.352 0.000 . . . . . A 20 G C8 . 25427 1 197 . 1 1 20 20 G N1 N 15 154.922 0.000 . . . . . A 20 G N1 . 25427 1 198 . 1 1 21 21 U H1' H 1 5.322 0.005 . . . . . A 21 U H1' . 25427 1 199 . 1 1 21 21 U H3 H 1 9.441 0.015 . . . . . A 21 U H3 . 25427 1 200 . 1 1 21 21 U H3' H 1 4.103 0.000 . . . . . A 21 U H3' . 25427 1 201 . 1 1 21 21 U H5 H 1 4.971 0.012 . . . . . A 21 U H5 . 25427 1 202 . 1 1 21 21 U H6 H 1 7.220 0.008 . . . . . A 21 U H6 . 25427 1 203 . 1 1 21 21 U C1' C 13 90.952 0.069 . . . . . A 21 U C1' . 25427 1 204 . 1 1 21 21 U C5 C 13 99.457 0.061 . . . . . A 21 U C5 . 25427 1 205 . 1 1 21 21 U C6 C 13 139.600 0.000 . . . . . A 21 U C6 . 25427 1 206 . 1 1 22 22 C H1' H 1 5.299 0.006 . . . . . A 22 C H1' . 25427 1 207 . 1 1 22 22 C H2' H 1 4.176 0.000 . . . . . A 22 C H2' . 25427 1 208 . 1 1 22 22 C H5 H 1 5.663 0.009 . . . . . A 22 C H5 . 25427 1 209 . 1 1 22 22 C H6 H 1 7.831 0.012 . . . . . A 22 C H6 . 25427 1 210 . 1 1 22 22 C H41 H 1 8.333 0.012 . . . . . A 22 C H41 . 25427 1 211 . 1 1 22 22 C H42 H 1 7.905 0.031 . . . . . A 22 C H42 . 25427 1 212 . 1 1 22 22 C C1' C 13 90.464 0.108 . . . . . A 22 C C1' . 25427 1 213 . 1 1 22 22 C C5 C 13 95.840 0.086 . . . . . A 22 C C5 . 25427 1 214 . 1 1 22 22 C C6 C 13 138.186 0.000 . . . . . A 22 C C6 . 25427 1 215 . 1 1 22 22 C N4 N 15 104.607 0.018 . . . . . A 22 C N4 . 25427 1 216 . 1 1 23 23 C H1' H 1 5.259 0.008 . . . . . A 23 C H1' . 25427 1 217 . 1 1 23 23 C H2' H 1 3.987 0.000 . . . . . A 23 C H2' . 25427 1 218 . 1 1 23 23 C H3' H 1 4.376 0.007 . . . . . A 23 C H3' . 25427 1 219 . 1 1 23 23 C H5 H 1 5.453 0.012 . . . . . A 23 C H5 . 25427 1 220 . 1 1 23 23 C H6 H 1 7.758 0.008 . . . . . A 23 C H6 . 25427 1 221 . 1 1 23 23 C H41 H 1 8.222 0.016 . . . . . A 23 C H41 . 25427 1 222 . 1 1 23 23 C H42 H 1 7.212 0.018 . . . . . A 23 C H42 . 25427 1 223 . 1 1 23 23 C C1' C 13 90.676 0.000 . . . . . A 23 C C1' . 25427 1 224 . 1 1 23 23 C C5 C 13 96.225 0.022 . . . . . A 23 C C5 . 25427 1 225 . 1 1 23 23 C C6 C 13 137.318 0.000 . . . . . A 23 C C6 . 25427 1 226 . 1 1 23 23 C N4 N 15 102.009 0.018 . . . . . A 23 C N4 . 25427 1 227 . 1 1 24 24 A H1' H 1 5.598 0.026 . . . . . A 24 A H1' . 25427 1 228 . 1 1 24 24 A H2 H 1 6.992 0.008 . . . . . A 24 A H2 . 25427 1 229 . 1 1 24 24 A H2' H 1 4.434 0.004 . . . . . A 24 A H2' . 25427 1 230 . 1 1 24 24 A H3' H 1 4.527 0.006 . . . . . A 24 A H3' . 25427 1 231 . 1 1 24 24 A H8 H 1 7.923 0.019 . . . . . A 24 A H8 . 25427 1 232 . 1 1 24 24 A H61 H 1 7.636 0.011 . . . . . A 24 A H61 . 25427 1 233 . 1 1 24 24 A C1' C 13 89.108 0.064 . . . . . A 24 A C1' . 25427 1 234 . 1 1 24 24 A C2 C 13 149.691 0.000 . . . . . A 24 A C2 . 25427 1 235 . 1 1 24 24 A C8 C 13 136.671 0.000 . . . . . A 24 A C8 . 25427 1 236 . 1 1 25 25 G H1 H 1 13.546 0.011 . . . . . A 25 G H1 . 25427 1 237 . 1 1 25 25 G H1' H 1 5.163 0.010 . . . . . A 25 G H1' . 25427 1 238 . 1 1 25 25 G H3' H 1 3.957 0.012 . . . . . A 25 G H3' . 25427 1 239 . 1 1 25 25 G H4' H 1 4.151 0.028 . . . . . A 25 G H4' . 25427 1 240 . 1 1 25 25 G H8 H 1 6.811 0.007 . . . . . A 25 G H8 . 25427 1 241 . 1 1 25 25 G H22 H 1 6.030 0.018 . . . . . A 25 G H22 . 25427 1 242 . 1 1 25 25 G C1' C 13 89.810 0.036 . . . . . A 25 G C1' . 25427 1 243 . 1 1 25 25 G C2 C 13 153.996 0.000 . . . . . A 25 G C2 . 25427 1 244 . 1 1 25 25 G C6 C 13 158.744 0.000 . . . . . A 25 G C6 . 25427 1 245 . 1 1 25 25 G C8 C 13 132.268 0.000 . . . . . A 25 G C8 . 25427 1 246 . 1 1 25 25 G N1 N 15 154.402 0.000 . . . . . A 25 G N1 . 25427 1 247 . 1 1 26 26 U H1' H 1 5.229 0.026 . . . . . A 26 U H1' . 25427 1 248 . 1 1 26 26 U H2' H 1 3.776 0.004 . . . . . A 26 U H2' . 25427 1 249 . 1 1 26 26 U H3 H 1 11.992 0.121 . . . . . A 26 U H3 . 25427 1 250 . 1 1 26 26 U H3' H 1 4.200 0.002 . . . . . A 26 U H3' . 25427 1 251 . 1 1 26 26 U H5 H 1 5.075 0.009 . . . . . A 26 U H5 . 25427 1 252 . 1 1 26 26 U H6 H 1 7.406 0.010 . . . . . A 26 U H6 . 25427 1 253 . 1 1 26 26 U C1' C 13 91.578 0.109 . . . . . A 26 U C1' . 25427 1 254 . 1 1 26 26 U C2 C 13 151.890 0.000 . . . . . A 26 U C2 . 25427 1 255 . 1 1 26 26 U C4 C 13 163.642 0.000 . . . . . A 26 U C4 . 25427 1 256 . 1 1 26 26 U C5 C 13 101.115 0.061 . . . . . A 26 U C5 . 25427 1 257 . 1 1 26 26 U C6 C 13 137.508 0.000 . . . . . A 26 U C6 . 25427 1 258 . 1 1 26 26 U N3 N 15 158.561 0.000 . . . . . A 26 U N3 . 25427 1 259 . 1 1 27 27 C H1' H 1 5.929 0.013 . . . . . A 27 C H1' . 25427 1 260 . 1 1 27 27 C H3' H 1 4.738 0.000 . . . . . A 27 C H3' . 25427 1 261 . 1 1 27 27 C H5 H 1 5.400 0.010 . . . . . A 27 C H5 . 25427 1 262 . 1 1 27 27 C H6 H 1 7.262 0.011 . . . . . A 27 C H6 . 25427 1 263 . 1 1 27 27 C H41 H 1 8.435 0.018 . . . . . A 27 C H41 . 25427 1 264 . 1 1 27 27 C H42 H 1 6.838 0.015 . . . . . A 27 C H42 . 25427 1 265 . 1 1 27 27 C C1' C 13 88.694 0.107 . . . . . A 27 C C1' . 25427 1 266 . 1 1 27 27 C C5 C 13 96.239 0.015 . . . . . A 27 C C5 . 25427 1 267 . 1 1 27 27 C C6 C 13 140.135 0.000 . . . . . A 27 C C6 . 25427 1 268 . 1 1 27 27 C N4 N 15 98.798 0.038 . . . . . A 27 C N4 . 25427 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 6 '2D 1H-13C HSQC aromatic' . . . 25427 2 7 '2D 1H-13C HSQC aliphatic' . . . 25427 2 8 '2D 1H-13C HSQC aliphatic' . . . 25427 2 9 '3D 1H-13C NOESY-HSQC aliphatic' . . . 25427 2 10 '3D 1H-13C NOESY-HMQC aromatic' . . . 25427 2 11 '3D HCCH-COSY' . . . 25427 2 12 '3D HCCH-TOCSY' . . . 25427 2 13 '2D 1H-15N lrHSQC' . . . 25427 2 15 '2D 1H-31P HCP' . . . 25427 2 16 '3D HCCH-TOCSY-E.COSY' . . . 25427 2 17 '2D 13C filter NOESY' . . . 25427 2 18 '2D 13C filter TOCSY' . . . 25427 2 19 '2D quant 31P coupled 1H, 13C HSQC' . . . 25427 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.868 0.034 . . . . . A 1 G H1' . 25427 2 2 . 1 1 1 1 G H2' H 1 4.876 0.033 . . . . . A 1 G H2' . 25427 2 3 . 1 1 1 1 G H3' H 1 4.749 0.073 . . . . . A 1 G H3' . 25427 2 4 . 1 1 1 1 G H4' H 1 4.600 0.004 . . . . . A 1 G H4' . 25427 2 5 . 1 1 1 1 G H5" H 1 4.492 0.045 . . . . . A 1 G H5" . 25427 2 6 . 1 1 1 1 G H5' H 1 4.330 0.021 . . . . . A 1 G H5' . 25427 2 7 . 1 1 1 1 G H8 H 1 8.252 0.030 . . . . . A 1 G H8 . 25427 2 8 . 1 1 1 1 G C1' C 13 89.029 0.076 . . . . . A 1 G C1' . 25427 2 9 . 1 1 1 1 G C2' C 13 72.688 0.097 . . . . . A 1 G C2' . 25427 2 10 . 1 1 1 1 G C3' C 13 71.812 0.142 . . . . . A 1 G C3' . 25427 2 11 . 1 1 1 1 G C4' C 13 80.458 0.032 . . . . . A 1 G C4' . 25427 2 12 . 1 1 1 1 G C5' C 13 64.111 0.000 . . . . . A 1 G C5' . 25427 2 13 . 1 1 1 1 G C8 C 13 136.539 0.004 . . . . . A 1 G C8 . 25427 2 14 . 1 1 2 2 G H1' H 1 5.960 0.037 . . . . . A 2 G H1' . 25427 2 15 . 1 1 2 2 G H2' H 1 4.798 0.040 . . . . . A 2 G H2' . 25427 2 16 . 1 1 2 2 G H3' H 1 4.467 0.037 . . . . . A 2 G H3' . 25427 2 17 . 1 1 2 2 G H4' H 1 4.605 0.005 . . . . . A 2 G H4' . 25427 2 18 . 1 1 2 2 G H5" H 1 4.532 0.025 . . . . . A 2 G H5" . 25427 2 19 . 1 1 2 2 G H5' H 1 4.290 0.020 . . . . . A 2 G H5' . 25427 2 20 . 1 1 2 2 G H8 H 1 7.595 0.038 . . . . . A 2 G H8 . 25427 2 21 . 1 1 2 2 G C1' C 13 90.599 0.060 . . . . . A 2 G C1' . 25427 2 22 . 1 1 2 2 G C2' C 13 72.448 0.079 . . . . . A 2 G C2' . 25427 2 23 . 1 1 2 2 G C3' C 13 70.366 0.095 . . . . . A 2 G C3' . 25427 2 24 . 1 1 2 2 G C4' C 13 79.938 0.040 . . . . . A 2 G C4' . 25427 2 25 . 1 1 2 2 G C5' C 13 63.521 0.000 . . . . . A 2 G C5' . 25427 2 26 . 1 1 2 2 G C8 C 13 134.576 0.013 . . . . . A 2 G C8 . 25427 2 27 . 1 1 3 3 C H1' H 1 5.584 0.031 . . . . . A 3 C H1' . 25427 2 28 . 1 1 3 3 C H2' H 1 4.363 0.004 . . . . . A 3 C H2' . 25427 2 29 . 1 1 3 3 C H3' H 1 4.555 0.004 . . . . . A 3 C H3' . 25427 2 30 . 1 1 3 3 C H4' H 1 4.496 0.013 . . . . . A 3 C H4' . 25427 2 31 . 1 1 3 3 C H5 H 1 5.480 0.042 . . . . . A 3 C H5 . 25427 2 32 . 1 1 3 3 C H5" H 1 4.601 0.028 . . . . . A 3 C H5" . 25427 2 33 . 1 1 3 3 C H5' H 1 4.150 0.021 . . . . . A 3 C H5' . 25427 2 34 . 1 1 3 3 C H6 H 1 7.786 0.040 . . . . . A 3 C H6 . 25427 2 35 . 1 1 3 3 C C1' C 13 91.454 0.108 . . . . . A 3 C C1' . 25427 2 36 . 1 1 3 3 C C2' C 13 72.772 0.063 . . . . . A 3 C C2' . 25427 2 37 . 1 1 3 3 C C3' C 13 69.278 0.098 . . . . . A 3 C C3' . 25427 2 38 . 1 1 3 3 C C4' C 13 79.032 0.085 . . . . . A 3 C C4' . 25427 2 39 . 1 1 3 3 C C5 C 13 94.495 0.019 . . . . . A 3 C C5 . 25427 2 40 . 1 1 3 3 C C5' C 13 61.188 0.000 . . . . . A 3 C C5' . 25427 2 41 . 1 1 3 3 C C6 C 13 138.163 0.022 . . . . . A 3 C C6 . 25427 2 42 . 1 1 4 4 U H1' H 1 5.536 0.036 . . . . . A 4 U H1' . 25427 2 43 . 1 1 4 4 U H2' H 1 4.270 0.034 . . . . . A 4 U H2' . 25427 2 44 . 1 1 4 4 U H3' H 1 4.637 0.026 . . . . . A 4 U H3' . 25427 2 45 . 1 1 4 4 U H4' H 1 4.444 0.005 . . . . . A 4 U H4' . 25427 2 46 . 1 1 4 4 U H5 H 1 5.470 0.038 . . . . . A 4 U H5 . 25427 2 47 . 1 1 4 4 U H5' H 1 4.150 0.002 . . . . . A 4 U H5' . 25427 2 48 . 1 1 4 4 U H6 H 1 7.943 0.043 . . . . . A 4 U H6 . 25427 2 49 . 1 1 4 4 U C1' C 13 91.700 0.110 . . . . . A 4 U C1' . 25427 2 50 . 1 1 4 4 U C2' C 13 72.358 0.072 . . . . . A 4 U C2' . 25427 2 51 . 1 1 4 4 U C3' C 13 69.251 0.065 . . . . . A 4 U C3' . 25427 2 52 . 1 1 4 4 U C4' C 13 79.568 0.000 . . . . . A 4 U C4' . 25427 2 53 . 1 1 4 4 U C5 C 13 100.101 0.006 . . . . . A 4 U C5 . 25427 2 54 . 1 1 4 4 U C6 C 13 139.630 0.002 . . . . . A 4 U C6 . 25427 2 55 . 1 1 5 5 G H1' H 1 5.875 0.037 . . . . . A 5 G H1' . 25427 2 56 . 1 1 5 5 G H2' H 1 4.859 0.070 . . . . . A 5 G H2' . 25427 2 57 . 1 1 5 5 G H3' H 1 4.282 0.028 . . . . . A 5 G H3' . 25427 2 58 . 1 1 5 5 G H4' H 1 4.653 0.006 . . . . . A 5 G H4' . 25427 2 59 . 1 1 5 5 G H5" H 1 4.565 0.003 . . . . . A 5 G H5" . 25427 2 60 . 1 1 5 5 G H5' H 1 4.759 0.005 . . . . . A 5 G H5' . 25427 2 61 . 1 1 5 5 G H8 H 1 8.088 0.042 . . . . . A 5 G H8 . 25427 2 62 . 1 1 5 5 G C1' C 13 86.248 0.089 . . . . . A 5 G C1' . 25427 2 63 . 1 1 5 5 G C2' C 13 75.282 0.143 . . . . . A 5 G C2' . 25427 2 64 . 1 1 5 5 G C3' C 13 73.500 0.000 . . . . . A 5 G C3' . 25427 2 65 . 1 1 5 5 G C4' C 13 83.462 0.025 . . . . . A 5 G C4' . 25427 2 66 . 1 1 5 5 G C8 C 13 135.934 0.005 . . . . . A 5 G C8 . 25427 2 67 . 1 1 6 6 C H1' H 1 5.677 0.030 . . . . . A 6 C H1' . 25427 2 68 . 1 1 6 6 C H2' H 1 4.240 0.032 . . . . . A 6 C H2' . 25427 2 69 . 1 1 6 6 C H3' H 1 4.574 0.295 . . . . . A 6 C H3' . 25427 2 70 . 1 1 6 6 C H4' H 1 4.410 0.005 . . . . . A 6 C H4' . 25427 2 71 . 1 1 6 6 C H5 H 1 5.722 0.377 . . . . . A 6 C H5 . 25427 2 72 . 1 1 6 6 C H5" H 1 4.330 0.022 . . . . . A 6 C H5" . 25427 2 73 . 1 1 6 6 C H5' H 1 4.547 0.022 . . . . . A 6 C H5' . 25427 2 74 . 1 1 6 6 C H6 H 1 7.855 0.106 . . . . . A 6 C H6 . 25427 2 75 . 1 1 6 6 C C1' C 13 88.715 0.213 . . . . . A 6 C C1' . 25427 2 76 . 1 1 6 6 C C2' C 13 74.203 0.107 . . . . . A 6 C C2' . 25427 2 77 . 1 1 6 6 C C3' C 13 72.373 1.306 . . . . . A 6 C C3' . 25427 2 78 . 1 1 6 6 C C4' C 13 81.379 0.031 . . . . . A 6 C C4' . 25427 2 79 . 1 1 6 6 C C5 C 13 95.761 0.422 . . . . . A 6 C C5 . 25427 2 80 . 1 1 6 6 C C5' C 13 65.111 0.000 . . . . . A 6 C C5' . 25427 2 81 . 1 1 6 6 C C6 C 13 139.888 0.002 . . . . . A 6 C C6 . 25427 2 82 . 1 1 7 7 U H1' H 1 6.086 0.010 . . . . . A 7 U H1' . 25427 2 83 . 1 1 7 7 U H2' H 1 4.477 0.034 . . . . . A 7 U H2' . 25427 2 84 . 1 1 7 7 U H3' H 1 4.681 0.007 . . . . . A 7 U H3' . 25427 2 85 . 1 1 7 7 U H4' H 1 4.582 0.081 . . . . . A 7 U H4' . 25427 2 86 . 1 1 7 7 U H5 H 1 5.976 0.023 . . . . . A 7 U H5 . 25427 2 87 . 1 1 7 7 U H5' H 1 4.191 0.021 . . . . . A 7 U H5' . 25427 2 88 . 1 1 7 7 U H6 H 1 7.930 0.036 . . . . . A 7 U H6 . 25427 2 89 . 1 1 7 7 U C1' C 13 87.453 0.039 . . . . . A 7 U C1' . 25427 2 90 . 1 1 7 7 U C2' C 13 72.596 0.401 . . . . . A 7 U C2' . 25427 2 91 . 1 1 7 7 U C3' C 13 74.377 0.176 . . . . . A 7 U C3' . 25427 2 92 . 1 1 7 7 U C4' C 13 82.393 0.120 . . . . . A 7 U C4' . 25427 2 93 . 1 1 7 7 U C5 C 13 102.992 0.102 . . . . . A 7 U C5 . 25427 2 94 . 1 1 7 7 U C5' C 13 65.070 0.000 . . . . . A 7 U C5' . 25427 2 95 . 1 1 7 7 U C6 C 13 141.367 0.017 . . . . . A 7 U C6 . 25427 2 96 . 1 1 8 8 U H1' H 1 6.131 0.060 . . . . . A 8 U H1' . 25427 2 97 . 1 1 8 8 U H2' H 1 4.551 0.099 . . . . . A 8 U H2' . 25427 2 98 . 1 1 8 8 U H3' H 1 4.750 0.082 . . . . . A 8 U H3' . 25427 2 99 . 1 1 8 8 U H4' H 1 4.584 0.079 . . . . . A 8 U H4' . 25427 2 100 . 1 1 8 8 U H5 H 1 6.008 0.069 . . . . . A 8 U H5 . 25427 2 101 . 1 1 8 8 U H5" H 1 4.300 0.022 . . . . . A 8 U H5" . 25427 2 102 . 1 1 8 8 U H5' H 1 4.215 0.020 . . . . . A 8 U H5' . 25427 2 103 . 1 1 8 8 U H6 H 1 7.960 0.044 . . . . . A 8 U H6 . 25427 2 104 . 1 1 8 8 U C1' C 13 87.430 0.016 . . . . . A 8 U C1' . 25427 2 105 . 1 1 8 8 U C2' C 13 72.228 0.396 . . . . . A 8 U C2' . 25427 2 106 . 1 1 8 8 U C3' C 13 74.056 0.063 . . . . . A 8 U C3' . 25427 2 107 . 1 1 8 8 U C4' C 13 82.388 0.114 . . . . . A 8 U C4' . 25427 2 108 . 1 1 8 8 U C5 C 13 103.029 0.092 . . . . . A 8 U C5 . 25427 2 109 . 1 1 8 8 U C5' C 13 65.361 0.000 . . . . . A 8 U C5' . 25427 2 110 . 1 1 8 8 U C6 C 13 141.324 0.019 . . . . . A 8 U C6 . 25427 2 111 . 1 1 9 9 G H1' H 1 5.783 0.033 . . . . . A 9 G H1' . 25427 2 112 . 1 1 9 9 G H2' H 1 4.887 0.118 . . . . . A 9 G H2' . 25427 2 113 . 1 1 9 9 G H3' H 1 4.105 0.005 . . . . . A 9 G H3' . 25427 2 114 . 1 1 9 9 G H4' H 1 4.579 0.005 . . . . . A 9 G H4' . 25427 2 115 . 1 1 9 9 G H5" H 1 4.384 0.020 . . . . . A 9 G H5" . 25427 2 116 . 1 1 9 9 G H5' H 1 4.315 0.023 . . . . . A 9 G H5' . 25427 2 117 . 1 1 9 9 G H8 H 1 7.885 0.033 . . . . . A 9 G H8 . 25427 2 118 . 1 1 9 9 G C1' C 13 91.736 0.075 . . . . . A 9 G C1' . 25427 2 119 . 1 1 9 9 G C2' C 13 71.960 0.180 . . . . . A 9 G C2' . 25427 2 120 . 1 1 9 9 G C3' C 13 72.932 0.073 . . . . . A 9 G C3' . 25427 2 121 . 1 1 9 9 G C4' C 13 80.229 0.091 . . . . . A 9 G C4' . 25427 2 122 . 1 1 9 9 G C5' C 13 66.321 0.000 . . . . . A 9 G C5' . 25427 2 123 . 1 1 9 9 G C8 C 13 134.572 0.022 . . . . . A 9 G C8 . 25427 2 124 . 1 1 10 10 U H1' H 1 5.595 0.039 . . . . . A 10 U H1' . 25427 2 125 . 1 1 10 10 U H2' H 1 3.727 0.039 . . . . . A 10 U H2' . 25427 2 126 . 1 1 10 10 U H3' H 1 4.548 0.004 . . . . . A 10 U H3' . 25427 2 127 . 1 1 10 10 U H4' H 1 4.370 0.003 . . . . . A 10 U H4' . 25427 2 128 . 1 1 10 10 U H5 H 1 5.160 0.039 . . . . . A 10 U H5 . 25427 2 129 . 1 1 10 10 U H5" H 1 4.476 0.024 . . . . . A 10 U H5" . 25427 2 130 . 1 1 10 10 U H5' H 1 4.089 0.025 . . . . . A 10 U H5' . 25427 2 131 . 1 1 10 10 U H6 H 1 7.820 0.024 . . . . . A 10 U H6 . 25427 2 132 . 1 1 10 10 U C1' C 13 91.317 0.032 . . . . . A 10 U C1' . 25427 2 133 . 1 1 10 10 U C2' C 13 72.858 0.013 . . . . . A 10 U C2' . 25427 2 134 . 1 1 10 10 U C3' C 13 69.512 0.189 . . . . . A 10 U C3' . 25427 2 135 . 1 1 10 10 U C4' C 13 79.987 0.124 . . . . . A 10 U C4' . 25427 2 136 . 1 1 10 10 U C5 C 13 100.293 0.048 . . . . . A 10 U C5 . 25427 2 137 . 1 1 10 10 U C5' C 13 61.271 0.000 . . . . . A 10 U C5' . 25427 2 138 . 1 1 10 10 U C6 C 13 139.328 0.008 . . . . . A 10 U C6 . 25427 2 139 . 1 1 11 11 C H1' H 1 5.654 0.021 . . . . . A 11 C H1' . 25427 2 140 . 1 1 11 11 C H2' H 1 4.187 0.045 . . . . . A 11 C H2' . 25427 2 141 . 1 1 11 11 C H3' H 1 4.732 0.005 . . . . . A 11 C H3' . 25427 2 142 . 1 1 11 11 C H4' H 1 4.415 0.002 . . . . . A 11 C H4' . 25427 2 143 . 1 1 11 11 C H5 H 1 5.798 0.044 . . . . . A 11 C H5 . 25427 2 144 . 1 1 11 11 C H5" H 1 4.338 0.025 . . . . . A 11 C H5" . 25427 2 145 . 1 1 11 11 C H5' H 1 4.040 0.023 . . . . . A 11 C H5' . 25427 2 146 . 1 1 11 11 C H6 H 1 7.754 0.038 . . . . . A 11 C H6 . 25427 2 147 . 1 1 11 11 C C1' C 13 88.109 0.193 . . . . . A 11 C C1' . 25427 2 148 . 1 1 11 11 C C3' C 13 73.237 0.051 . . . . . A 11 C C3' . 25427 2 149 . 1 1 11 11 C C4' C 13 81.405 0.002 . . . . . A 11 C C4' . 25427 2 150 . 1 1 11 11 C C5 C 13 96.292 0.064 . . . . . A 11 C C5 . 25427 2 151 . 1 1 11 11 C C5' C 13 63.971 0.000 . . . . . A 11 C C5' . 25427 2 152 . 1 1 11 11 C C6 C 13 140.298 0.007 . . . . . A 11 C C6 . 25427 2 153 . 1 1 12 12 C H1' H 1 5.623 0.004 . . . . . A 12 C H1' . 25427 2 154 . 1 1 12 12 C H2' H 1 4.491 0.005 . . . . . A 12 C H2' . 25427 2 155 . 1 1 12 12 C H3' H 1 4.093 0.003 . . . . . A 12 C H3' . 25427 2 156 . 1 1 12 12 C H4' H 1 4.485 0.061 . . . . . A 12 C H4' . 25427 2 157 . 1 1 12 12 C H5 H 1 5.402 0.292 . . . . . A 12 C H5 . 25427 2 158 . 1 1 12 12 C H5" H 1 4.471 0.000 . . . . . A 12 C H5" . 25427 2 159 . 1 1 12 12 C H5' H 1 4.277 0.010 . . . . . A 12 C H5' . 25427 2 160 . 1 1 12 12 C H6 H 1 7.751 0.041 . . . . . A 12 C H6 . 25427 2 161 . 1 1 12 12 C C1' C 13 91.739 0.085 . . . . . A 12 C C1' . 25427 2 162 . 1 1 12 12 C C2' C 13 72.858 0.041 . . . . . A 12 C C2' . 25427 2 163 . 1 1 12 12 C C3' C 13 70.411 0.024 . . . . . A 12 C C3' . 25427 2 164 . 1 1 12 12 C C4' C 13 80.283 0.058 . . . . . A 12 C C4' . 25427 2 165 . 1 1 12 12 C C5 C 13 95.331 0.453 . . . . . A 12 C C5 . 25427 2 166 . 1 1 12 12 C C6 C 13 139.584 0.009 . . . . . A 12 C C6 . 25427 2 167 . 1 1 13 13 U H1' H 1 5.725 0.036 . . . . . A 13 U H1' . 25427 2 168 . 1 1 13 13 U H2' H 1 4.202 0.036 . . . . . A 13 U H2' . 25427 2 169 . 1 1 13 13 U H3' H 1 4.461 0.040 . . . . . A 13 U H3' . 25427 2 170 . 1 1 13 13 U H4' H 1 4.407 0.007 . . . . . A 13 U H4' . 25427 2 171 . 1 1 13 13 U H5 H 1 5.517 0.041 . . . . . A 13 U H5 . 25427 2 172 . 1 1 13 13 U H5" H 1 4.385 0.163 . . . . . A 13 U H5" . 25427 2 173 . 1 1 13 13 U H5' H 1 4.102 0.026 . . . . . A 13 U H5' . 25427 2 174 . 1 1 13 13 U H6 H 1 7.930 0.043 . . . . . A 13 U H6 . 25427 2 175 . 1 1 13 13 U C1' C 13 90.609 0.067 . . . . . A 13 U C1' . 25427 2 176 . 1 1 13 13 U C2' C 13 72.933 0.057 . . . . . A 13 U C2' . 25427 2 177 . 1 1 13 13 U C3' C 13 68.621 0.034 . . . . . A 13 U C3' . 25427 2 178 . 1 1 13 13 U C4' C 13 79.552 0.033 . . . . . A 13 U C4' . 25427 2 179 . 1 1 13 13 U C5 C 13 102.150 0.021 . . . . . A 13 U C5 . 25427 2 180 . 1 1 13 13 U C5' C 13 61.551 0.000 . . . . . A 13 U C5' . 25427 2 181 . 1 1 13 13 U C6 C 13 137.742 0.002 . . . . . A 13 U C6 . 25427 2 182 . 1 1 14 14 U H1' H 1 5.450 0.033 . . . . . A 14 U H1' . 25427 2 183 . 1 1 14 14 U H2' H 1 4.776 0.240 . . . . . A 14 U H2' . 25427 2 184 . 1 1 14 14 U H3' H 1 4.481 0.077 . . . . . A 14 U H3' . 25427 2 185 . 1 1 14 14 U H4' H 1 4.301 0.052 . . . . . A 14 U H4' . 25427 2 186 . 1 1 14 14 U H5 H 1 5.303 0.037 . . . . . A 14 U H5 . 25427 2 187 . 1 1 14 14 U H5" H 1 4.525 0.005 . . . . . A 14 U H5" . 25427 2 188 . 1 1 14 14 U H5' H 1 4.037 0.007 . . . . . A 14 U H5' . 25427 2 189 . 1 1 14 14 U H6 H 1 7.504 0.041 . . . . . A 14 U H6 . 25427 2 190 . 1 1 14 14 U C1' C 13 91.774 0.110 . . . . . A 14 U C1' . 25427 2 191 . 1 1 14 14 U C2' C 13 71.630 0.029 . . . . . A 14 U C2' . 25427 2 192 . 1 1 14 14 U C3' C 13 69.269 0.088 . . . . . A 14 U C3' . 25427 2 193 . 1 1 14 14 U C4' C 13 79.148 0.058 . . . . . A 14 U C4' . 25427 2 194 . 1 1 14 14 U C5 C 13 100.110 0.020 . . . . . A 14 U C5 . 25427 2 195 . 1 1 14 14 U C6 C 13 139.154 0.015 . . . . . A 14 U C6 . 25427 2 196 . 1 1 15 15 U H1' H 1 5.351 0.037 . . . . . A 15 U H1' . 25427 2 197 . 1 1 15 15 U H2' H 1 4.070 0.037 . . . . . A 15 U H2' . 25427 2 198 . 1 1 15 15 U H3' H 1 4.268 0.039 . . . . . A 15 U H3' . 25427 2 199 . 1 1 15 15 U H4' H 1 4.185 0.005 . . . . . A 15 U H4' . 25427 2 200 . 1 1 15 15 U H5 H 1 5.706 0.043 . . . . . A 15 U H5 . 25427 2 201 . 1 1 15 15 U H5" H 1 4.244 0.025 . . . . . A 15 U H5" . 25427 2 202 . 1 1 15 15 U H5' H 1 3.992 0.019 . . . . . A 15 U H5' . 25427 2 203 . 1 1 15 15 U H6 H 1 7.678 0.040 . . . . . A 15 U H6 . 25427 2 204 . 1 1 15 15 U C1' C 13 91.825 0.042 . . . . . A 15 U C1' . 25427 2 205 . 1 1 15 15 U C2' C 13 72.920 0.065 . . . . . A 15 U C2' . 25427 2 206 . 1 1 15 15 U C3' C 13 68.630 0.020 . . . . . A 15 U C3' . 25427 2 207 . 1 1 15 15 U C4' C 13 79.816 0.015 . . . . . A 15 U C4' . 25427 2 208 . 1 1 15 15 U C5 C 13 101.383 0.026 . . . . . A 15 U C5 . 25427 2 209 . 1 1 15 15 U C5' C 13 60.741 0.000 . . . . . A 15 U C5' . 25427 2 210 . 1 1 15 15 U C6 C 13 140.220 0.010 . . . . . A 15 U C6 . 25427 2 211 . 1 1 16 16 A H1' H 1 6.295 0.036 . . . . . A 16 A H1' . 25427 2 212 . 1 1 16 16 A H2 H 1 8.364 0.005 . . . . . A 16 A H2 . 25427 2 213 . 1 1 16 16 A H2' H 1 4.087 0.022 . . . . . A 16 A H2' . 25427 2 214 . 1 1 16 16 A H3' H 1 5.101 0.034 . . . . . A 16 A H3' . 25427 2 215 . 1 1 16 16 A H4' H 1 4.265 0.004 . . . . . A 16 A H4' . 25427 2 216 . 1 1 16 16 A H5" H 1 4.257 0.026 . . . . . A 16 A H5" . 25427 2 217 . 1 1 16 16 A H5' H 1 4.019 0.022 . . . . . A 16 A H5' . 25427 2 218 . 1 1 16 16 A H8 H 1 8.234 0.042 . . . . . A 16 A H8 . 25427 2 219 . 1 1 16 16 A C1' C 13 90.244 0.022 . . . . . A 16 A C1' . 25427 2 220 . 1 1 16 16 A C2 C 13 152.980 0.000 . . . . . A 16 A C2 . 25427 2 221 . 1 1 16 16 A C2' C 13 74.134 0.043 . . . . . A 16 A C2' . 25427 2 222 . 1 1 16 16 A C3' C 13 69.283 0.042 . . . . . A 16 A C3' . 25427 2 223 . 1 1 16 16 A C4' C 13 80.673 0.058 . . . . . A 16 A C4' . 25427 2 224 . 1 1 16 16 A C5' C 13 61.181 0.000 . . . . . A 16 A C5' . 25427 2 225 . 1 1 16 16 A C8 C 13 140.061 0.001 . . . . . A 16 A C8 . 25427 2 226 . 1 1 17 17 A H1' H 1 6.234 0.038 . . . . . A 17 A H1' . 25427 2 227 . 1 1 17 17 A H2 H 1 8.215 0.002 . . . . . A 17 A H2 . 25427 2 228 . 1 1 17 17 A H2' H 1 5.079 0.353 . . . . . A 17 A H2' . 25427 2 229 . 1 1 17 17 A H3' H 1 5.140 0.021 . . . . . A 17 A H3' . 25427 2 230 . 1 1 17 17 A H4' H 1 4.404 0.044 . . . . . A 17 A H4' . 25427 2 231 . 1 1 17 17 A H5' H 1 4.143 0.021 . . . . . A 17 A H5' . 25427 2 232 . 1 1 17 17 A H8 H 1 8.489 0.034 . . . . . A 17 A H8 . 25427 2 233 . 1 1 17 17 A C1' C 13 85.263 0.025 . . . . . A 17 A C1' . 25427 2 234 . 1 1 17 17 A C2 C 13 153.301 0.000 . . . . . A 17 A C2 . 25427 2 235 . 1 1 17 17 A C2' C 13 71.603 0.012 . . . . . A 17 A C2' . 25427 2 236 . 1 1 17 17 A C3' C 13 75.508 2.764 . . . . . A 17 A C3' . 25427 2 237 . 1 1 17 17 A C4' C 13 82.203 0.038 . . . . . A 17 A C4' . 25427 2 238 . 1 1 17 17 A C5' C 13 64.481 0.000 . . . . . A 17 A C5' . 25427 2 239 . 1 1 17 17 A C8 C 13 138.776 0.012 . . . . . A 17 A C8 . 25427 2 240 . 1 1 18 18 U H1' H 1 4.554 0.037 . . . . . A 18 U H1' . 25427 2 241 . 1 1 18 18 U H2' H 1 4.323 0.033 . . . . . A 18 U H2' . 25427 2 242 . 1 1 18 18 U H3' H 1 4.117 0.026 . . . . . A 18 U H3' . 25427 2 243 . 1 1 18 18 U H4' H 1 3.280 0.005 . . . . . A 18 U H4' . 25427 2 244 . 1 1 18 18 U H5 H 1 5.894 0.043 . . . . . A 18 U H5 . 25427 2 245 . 1 1 18 18 U H5" H 1 4.073 0.005 . . . . . A 18 U H5" . 25427 2 246 . 1 1 18 18 U H5' H 1 4.034 0.061 . . . . . A 18 U H5' . 25427 2 247 . 1 1 18 18 U H6 H 1 7.192 0.037 . . . . . A 18 U H6 . 25427 2 248 . 1 1 18 18 U C1' C 13 90.512 0.025 . . . . . A 18 U C1' . 25427 2 249 . 1 1 18 18 U C2' C 13 71.990 0.032 . . . . . A 18 U C2' . 25427 2 250 . 1 1 18 18 U C3' C 13 69.443 0.046 . . . . . A 18 U C3' . 25427 2 251 . 1 1 18 18 U C4' C 13 78.500 0.000 . . . . . A 18 U C4' . 25427 2 252 . 1 1 18 18 U C5 C 13 103.810 0.020 . . . . . A 18 U C5 . 25427 2 253 . 1 1 18 18 U C6 C 13 137.319 0.005 . . . . . A 18 U C6 . 25427 2 254 . 1 1 19 19 G H1' H 1 5.906 0.005 . . . . . A 19 G H1' . 25427 2 255 . 1 1 19 19 G H2' H 1 4.921 0.003 . . . . . A 19 G H2' . 25427 2 256 . 1 1 19 19 G H3' H 1 4.598 0.306 . . . . . A 19 G H3' . 25427 2 257 . 1 1 19 19 G H4' H 1 4.398 0.004 . . . . . A 19 G H4' . 25427 2 258 . 1 1 19 19 G H5" H 1 4.108 0.005 . . . . . A 19 G H5" . 25427 2 259 . 1 1 19 19 G H5' H 1 4.220 0.000 . . . . . A 19 G H5' . 25427 2 260 . 1 1 19 19 G H8 H 1 7.550 0.030 . . . . . A 19 G H8 . 25427 2 261 . 1 1 19 19 G C1' C 13 89.050 0.075 . . . . . A 19 G C1' . 25427 2 262 . 1 1 19 19 G C2' C 13 73.489 0.027 . . . . . A 19 G C2' . 25427 2 263 . 1 1 19 19 G C3' C 13 69.514 0.090 . . . . . A 19 G C3' . 25427 2 264 . 1 1 19 19 G C4' C 13 78.587 0.033 . . . . . A 19 G C4' . 25427 2 265 . 1 1 19 19 G C8 C 13 133.927 0.021 . . . . . A 19 G C8 . 25427 2 266 . 1 1 20 20 G H1' H 1 5.402 0.038 . . . . . A 20 G H1' . 25427 2 267 . 1 1 20 20 G H2' H 1 4.500 0.159 . . . . . A 20 G H2' . 25427 2 268 . 1 1 20 20 G H3' H 1 4.088 0.072 . . . . . A 20 G H3' . 25427 2 269 . 1 1 20 20 G H4' H 1 4.570 0.007 . . . . . A 20 G H4' . 25427 2 270 . 1 1 20 20 G H5" H 1 4.249 0.029 . . . . . A 20 G H5" . 25427 2 271 . 1 1 20 20 G H5' H 1 4.146 0.093 . . . . . A 20 G H5' . 25427 2 272 . 1 1 20 20 G H8 H 1 7.206 0.036 . . . . . A 20 G H8 . 25427 2 273 . 1 1 20 20 G C1' C 13 90.592 0.069 . . . . . A 20 G C1' . 25427 2 274 . 1 1 20 20 G C2' C 13 72.921 0.401 . . . . . A 20 G C2' . 25427 2 275 . 1 1 20 20 G C3' C 13 71.353 0.041 . . . . . A 20 G C3' . 25427 2 276 . 1 1 20 20 G C4' C 13 79.989 0.138 . . . . . A 20 G C4' . 25427 2 277 . 1 1 20 20 G C5' C 13 66.451 0.000 . . . . . A 20 G C5' . 25427 2 278 . 1 1 20 20 G C8 C 13 134.449 0.008 . . . . . A 20 G C8 . 25427 2 279 . 1 1 21 21 U H1' H 1 5.577 0.040 . . . . . A 21 U H1' . 25427 2 280 . 1 1 21 21 U H2' H 1 4.561 0.004 . . . . . A 21 U H2' . 25427 2 281 . 1 1 21 21 U H3' H 1 4.371 0.038 . . . . . A 21 U H3' . 25427 2 282 . 1 1 21 21 U H4' H 1 4.305 0.152 . . . . . A 21 U H4' . 25427 2 283 . 1 1 21 21 U H5 H 1 5.193 0.038 . . . . . A 21 U H5 . 25427 2 284 . 1 1 21 21 U H5" H 1 4.664 0.027 . . . . . A 21 U H5" . 25427 2 285 . 1 1 21 21 U H5' H 1 4.139 0.085 . . . . . A 21 U H5' . 25427 2 286 . 1 1 21 21 U H6 H 1 7.532 0.032 . . . . . A 21 U H6 . 25427 2 287 . 1 1 21 21 U C1' C 13 91.089 0.111 . . . . . A 21 U C1' . 25427 2 288 . 1 1 21 21 U C2' C 13 72.464 0.086 . . . . . A 21 U C2' . 25427 2 289 . 1 1 21 21 U C3' C 13 69.281 0.057 . . . . . A 21 U C3' . 25427 2 290 . 1 1 21 21 U C5 C 13 99.610 0.095 . . . . . A 21 U C5 . 25427 2 291 . 1 1 21 21 U C5' C 13 61.211 0.000 . . . . . A 21 U C5' . 25427 2 292 . 1 1 21 21 U C6 C 13 139.850 0.011 . . . . . A 21 U C6 . 25427 2 293 . 1 1 22 22 C H1' H 1 5.592 0.004 . . . . . A 22 C H1' . 25427 2 294 . 1 1 22 22 C H2' H 1 4.487 0.006 . . . . . A 22 C H2' . 25427 2 295 . 1 1 22 22 C H3' H 1 4.460 0.006 . . . . . A 22 C H3' . 25427 2 296 . 1 1 22 22 C H4' H 1 4.434 0.003 . . . . . A 22 C H4' . 25427 2 297 . 1 1 22 22 C H5 H 1 5.900 0.042 . . . . . A 22 C H5 . 25427 2 298 . 1 1 22 22 C H5" H 1 4.519 0.030 . . . . . A 22 C H5" . 25427 2 299 . 1 1 22 22 C H5' H 1 4.167 0.029 . . . . . A 22 C H5' . 25427 2 300 . 1 1 22 22 C H6 H 1 8.119 0.037 . . . . . A 22 C H6 . 25427 2 301 . 1 1 22 22 C C1' C 13 90.679 0.051 . . . . . A 22 C C1' . 25427 2 302 . 1 1 22 22 C C2' C 13 73.118 0.038 . . . . . A 22 C C2' . 25427 2 303 . 1 1 22 22 C C3' C 13 69.293 0.045 . . . . . A 22 C C3' . 25427 2 304 . 1 1 22 22 C C4' C 13 79.458 0.055 . . . . . A 22 C C4' . 25427 2 305 . 1 1 22 22 C C5 C 13 96.011 0.016 . . . . . A 22 C C5 . 25427 2 306 . 1 1 22 22 C C5' C 13 61.721 0.000 . . . . . A 22 C C5' . 25427 2 307 . 1 1 22 22 C C6 C 13 138.559 0.006 . . . . . A 22 C C6 . 25427 2 308 . 1 1 23 23 C H1' H 1 5.545 0.032 . . . . . A 23 C H1' . 25427 2 309 . 1 1 23 23 C H2' H 1 4.301 0.036 . . . . . A 23 C H2' . 25427 2 310 . 1 1 23 23 C H3' H 1 4.651 0.038 . . . . . A 23 C H3' . 25427 2 311 . 1 1 23 23 C H4' H 1 4.400 0.007 . . . . . A 23 C H4' . 25427 2 312 . 1 1 23 23 C H5 H 1 5.734 0.037 . . . . . A 23 C H5 . 25427 2 313 . 1 1 23 23 C H5" H 1 4.585 0.005 . . . . . A 23 C H5" . 25427 2 314 . 1 1 23 23 C H5' H 1 4.153 0.008 . . . . . A 23 C H5' . 25427 2 315 . 1 1 23 23 C H6 H 1 8.041 0.040 . . . . . A 23 C H6 . 25427 2 316 . 1 1 23 23 C C1' C 13 90.765 0.116 . . . . . A 23 C C1' . 25427 2 317 . 1 1 23 23 C C2' C 13 72.400 0.000 . . . . . A 23 C C2' . 25427 2 318 . 1 1 23 23 C C3' C 13 69.266 0.055 . . . . . A 23 C C3' . 25427 2 319 . 1 1 23 23 C C4' C 13 79.136 0.069 . . . . . A 23 C C4' . 25427 2 320 . 1 1 23 23 C C5 C 13 96.311 0.005 . . . . . A 23 C C5 . 25427 2 321 . 1 1 23 23 C C6 C 13 137.610 0.004 . . . . . A 23 C C6 . 25427 2 322 . 1 1 24 24 A H1' H 1 5.862 0.035 . . . . . A 24 A H1' . 25427 2 323 . 1 1 24 24 A H2 H 1 7.261 0.038 . . . . . A 24 A H2 . 25427 2 324 . 1 1 24 24 A H2' H 1 4.713 0.007 . . . . . A 24 A H2' . 25427 2 325 . 1 1 24 24 A H3' H 1 4.820 0.004 . . . . . A 24 A H3' . 25427 2 326 . 1 1 24 24 A H4' H 1 4.480 0.005 . . . . . A 24 A H4' . 25427 2 327 . 1 1 24 24 A H5" H 1 4.613 0.021 . . . . . A 24 A H5" . 25427 2 328 . 1 1 24 24 A H5' H 1 4.177 0.020 . . . . . A 24 A H5' . 25427 2 329 . 1 1 24 24 A H8 H 1 8.194 0.032 . . . . . A 24 A H8 . 25427 2 330 . 1 1 24 24 A C1' C 13 89.397 0.126 . . . . . A 24 A C1' . 25427 2 331 . 1 1 24 24 A C2 C 13 149.917 0.000 . . . . . A 24 A C2 . 25427 2 332 . 1 1 24 24 A C2' C 13 73.137 0.043 . . . . . A 24 A C2' . 25427 2 333 . 1 1 24 24 A C3' C 13 69.707 0.081 . . . . . A 24 A C3' . 25427 2 334 . 1 1 24 24 A C4' C 13 78.923 0.018 . . . . . A 24 A C4' . 25427 2 335 . 1 1 24 24 A C5' C 13 61.771 0.000 . . . . . A 24 A C5' . 25427 2 336 . 1 1 24 24 A C8 C 13 136.796 0.000 . . . . . A 24 A C8 . 25427 2 337 . 1 1 25 25 G H1' H 1 5.436 0.037 . . . . . A 25 G H1' . 25427 2 338 . 1 1 25 25 G H2' H 1 4.471 0.041 . . . . . A 25 G H2' . 25427 2 339 . 1 1 25 25 G H3' H 1 4.237 0.035 . . . . . A 25 G H3' . 25427 2 340 . 1 1 25 25 G H4' H 1 4.438 0.004 . . . . . A 25 G H4' . 25427 2 341 . 1 1 25 25 G H5" H 1 4.429 0.025 . . . . . A 25 G H5" . 25427 2 342 . 1 1 25 25 G H5' H 1 4.063 0.022 . . . . . A 25 G H5' . 25427 2 343 . 1 1 25 25 G H8 H 1 7.076 0.033 . . . . . A 25 G H8 . 25427 2 344 . 1 1 25 25 G C1' C 13 89.936 0.019 . . . . . A 25 G C1' . 25427 2 345 . 1 1 25 25 G C2' C 13 72.447 0.074 . . . . . A 25 G C2' . 25427 2 346 . 1 1 25 25 G C3' C 13 70.021 0.059 . . . . . A 25 G C3' . 25427 2 347 . 1 1 25 25 G C4' C 13 79.235 0.034 . . . . . A 25 G C4' . 25427 2 348 . 1 1 25 25 G C5' C 13 62.969 0.000 . . . . . A 25 G C5' . 25427 2 349 . 1 1 25 25 G C8 C 13 132.596 0.014 . . . . . A 25 G C8 . 25427 2 350 . 1 1 26 26 U H1' H 1 5.472 0.035 . . . . . A 26 U H1' . 25427 2 351 . 1 1 26 26 U H2' H 1 4.058 0.039 . . . . . A 26 U H2' . 25427 2 352 . 1 1 26 26 U H3' H 1 4.493 0.034 . . . . . A 26 U H3' . 25427 2 353 . 1 1 26 26 U H4' H 1 4.370 0.005 . . . . . A 26 U H4' . 25427 2 354 . 1 1 26 26 U H5 H 1 5.353 0.041 . . . . . A 26 U H5 . 25427 2 355 . 1 1 26 26 U H5" H 1 4.474 0.027 . . . . . A 26 U H5" . 25427 2 356 . 1 1 26 26 U H5' H 1 4.028 0.028 . . . . . A 26 U H5' . 25427 2 357 . 1 1 26 26 U H6 H 1 7.687 0.037 . . . . . A 26 U H6 . 25427 2 358 . 1 1 26 26 U C1' C 13 91.590 0.016 . . . . . A 26 U C1' . 25427 2 359 . 1 1 26 26 U C2' C 13 72.932 0.059 . . . . . A 26 U C2' . 25427 2 360 . 1 1 26 26 U C3' C 13 69.264 0.065 . . . . . A 26 U C3' . 25427 2 361 . 1 1 26 26 U C4' C 13 79.855 0.026 . . . . . A 26 U C4' . 25427 2 362 . 1 1 26 26 U C5 C 13 101.390 0.027 . . . . . A 26 U C5 . 25427 2 363 . 1 1 26 26 U C5' C 13 62.121 0.000 . . . . . A 26 U C5' . 25427 2 364 . 1 1 26 26 U C6 C 13 137.866 0.012 . . . . . A 26 U C6 . 25427 2 365 . 1 1 27 27 C H1' H 1 6.228 0.016 . . . . . A 27 C H1' . 25427 2 366 . 1 1 27 27 C H2' H 1 4.703 0.006 . . . . . A 27 C H2' . 25427 2 367 . 1 1 27 27 C H3' H 1 5.026 0.003 . . . . . A 27 C H3' . 25427 2 368 . 1 1 27 27 C H4' H 1 4.397 0.004 . . . . . A 27 C H4' . 25427 2 369 . 1 1 27 27 C H5 H 1 5.677 0.042 . . . . . A 27 C H5 . 25427 2 370 . 1 1 27 27 C H5" H 1 4.589 0.021 . . . . . A 27 C H5" . 25427 2 371 . 1 1 27 27 C H5' H 1 4.114 0.019 . . . . . A 27 C H5' . 25427 2 372 . 1 1 27 27 C H6 H 1 7.557 0.037 . . . . . A 27 C H6 . 25427 2 373 . 1 1 27 27 C C1' C 13 88.902 0.022 . . . . . A 27 C C1' . 25427 2 374 . 1 1 27 27 C C2' C 13 82.228 0.039 . . . . . A 27 C C2' . 25427 2 375 . 1 1 27 27 C C3' C 13 75.203 0.010 . . . . . A 27 C C3' . 25427 2 376 . 1 1 27 27 C C4' C 13 82.406 0.119 . . . . . A 27 C C4' . 25427 2 377 . 1 1 27 27 C C5 C 13 96.316 0.011 . . . . . A 27 C C5 . 25427 2 378 . 1 1 27 27 C C5' C 13 62.959 0.000 . . . . . A 27 C C5' . 25427 2 379 . 1 1 27 27 C C6 C 13 140.407 0.003 . . . . . A 27 C C6 . 25427 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 25427 3 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 . 2 2 1 1 PAR H11 H 1 5.092 0.185 . . . . . A 101 PAR H11 . 25427 3 2 . 2 2 1 1 PAR H12 H 1 2.753 0.010 . . . . . A 101 PAR H12 . 25427 3 3 . 2 2 1 1 PAR H13 H 1 4.021 0.016 . . . . . A 101 PAR H13 . 25427 3 4 . 2 2 1 1 PAR H14 H 1 2.513 0.199 . . . . . A 101 PAR H14 . 25427 3 5 . 2 2 1 1 PAR H15 H 1 3.242 0.032 . . . . . A 101 PAR H15 . 25427 3 6 . 2 2 1 1 PAR H161 H 1 3.364 0.167 . . . . . A 101 PAR H161 . 25427 3 7 . 2 2 1 1 PAR H162 H 1 3.541 0.105 . . . . . A 101 PAR H162 . 25427 3 8 . 2 2 1 1 PAR H21 H 1 2.896 0.083 . . . . . A 101 PAR H21 . 25427 3 9 . 2 2 1 1 PAR H211 H 1 7.128 0.038 . . . . . A 101 PAR H211 . 25427 3 10 . 2 2 1 1 PAR H212 H 1 7.128 0.038 . . . . . A 101 PAR H212 . 25427 3 11 . 2 2 1 1 PAR H213 H 1 7.128 0.038 . . . . . A 101 PAR H213 . 25427 3 12 . 2 2 1 1 PAR H221 H 1 1.327 0.028 . . . . . A 101 PAR H221 . 25427 3 13 . 2 2 1 1 PAR H222 H 1 1.747 0.029 . . . . . A 101 PAR H222 . 25427 3 14 . 2 2 1 1 PAR H23 H 1 2.553 0.078 . . . . . A 101 PAR H23 . 25427 3 15 . 2 2 1 1 PAR H231 H 1 8.081 0.037 . . . . . A 101 PAR H231 . 25427 3 16 . 2 2 1 1 PAR H232 H 1 8.081 0.037 . . . . . A 101 PAR H232 . 25427 3 17 . 2 2 1 1 PAR H233 H 1 8.081 0.037 . . . . . A 101 PAR H233 . 25427 3 18 . 2 2 1 1 PAR H24 H 1 3.550 0.032 . . . . . A 101 PAR H24 . 25427 3 19 . 2 2 1 1 PAR H25 H 1 3.591 0.026 . . . . . A 101 PAR H25 . 25427 3 20 . 2 2 1 1 PAR H26 H 1 3.446 0.024 . . . . . A 101 PAR H26 . 25427 3 21 . 2 2 1 1 PAR H31 H 1 5.335 0.062 . . . . . A 101 PAR H31 . 25427 3 22 . 2 2 1 1 PAR H32 H 1 3.398 0.006 . . . . . A 101 PAR H32 . 25427 3 23 . 2 2 1 1 PAR H33 H 1 4.125 0.005 . . . . . A 101 PAR H33 . 25427 3 24 . 2 2 1 1 PAR H34 H 1 3.748 0.004 . . . . . A 101 PAR H34 . 25427 3 25 . 2 2 1 1 PAR H351 H 1 4.125 0.275 . . . . . A 101 PAR H351 . 25427 3 26 . 2 2 1 1 PAR H352 H 1 3.307 0.027 . . . . . A 101 PAR H352 . 25427 3 27 . 2 2 1 1 PAR H41 H 1 5.242 0.022 . . . . . A 101 PAR H41 . 25427 3 28 . 2 2 1 1 PAR H43 H 1 3.803 0.180 . . . . . A 101 PAR H43 . 25427 3 29 . 2 2 1 1 PAR H45 H 1 3.827 0.052 . . . . . A 101 PAR H45 . 25427 3 30 . 2 2 1 1 PAR HO13 H 1 6.097 0.002 . . . . . A 101 PAR HO13 . 25427 3 31 . 2 2 1 1 PAR HO14 H 1 6.852 0.033 . . . . . A 101 PAR HO14 . 25427 3 32 . 2 2 1 1 PAR HO16 H 1 7.130 0.038 . . . . . A 101 PAR HO16 . 25427 3 33 . 2 2 1 1 PAR HO26 H 1 8.376 0.023 . . . . . A 101 PAR HO26 . 25427 3 stop_ save_ save_assigned_chem_shift_list_3_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3_dup _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 25427 4 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 . 2 2 1 1 PAR H11 H 1 5.293 0.012 . . . . . A 101 PAR H11 . 25427 4 2 . 2 2 1 1 PAR H12 H 1 3.076 0.053 . . . . . A 101 PAR H12 . 25427 4 3 . 2 2 1 1 PAR H13 H 1 4.213 0.005 . . . . . A 101 PAR H13 . 25427 4 4 . 2 2 1 1 PAR H14 H 1 2.808 0.408 . . . . . A 101 PAR H14 . 25427 4 5 . 2 2 1 1 PAR H15 H 1 3.434 0.005 . . . . . A 101 PAR H15 . 25427 4 6 . 2 2 1 1 PAR H161 H 1 3.767 0.005 . . . . . A 101 PAR H161 . 25427 4 7 . 2 2 1 1 PAR H162 H 1 3.092 0.003 . . . . . A 101 PAR H162 . 25427 4 8 . 2 2 1 1 PAR H21 H 1 3.159 0.004 . . . . . A 101 PAR H21 . 25427 4 9 . 2 2 1 1 PAR H221 H 1 1.581 0.047 . . . . . A 101 PAR H221 . 25427 4 10 . 2 2 1 1 PAR H222 H 1 1.952 0.004 . . . . . A 101 PAR H222 . 25427 4 11 . 2 2 1 1 PAR H23 H 1 2.792 0.007 . . . . . A 101 PAR H23 . 25427 4 12 . 2 2 1 1 PAR H24 H 1 3.750 0.006 . . . . . A 101 PAR H24 . 25427 4 13 . 2 2 1 1 PAR H25 H 1 3.818 0.006 . . . . . A 101 PAR H25 . 25427 4 14 . 2 2 1 1 PAR H26 H 1 3.687 0.007 . . . . . A 101 PAR H26 . 25427 4 15 . 2 2 1 1 PAR H31 H 1 5.499 0.082 . . . . . A 101 PAR H31 . 25427 4 16 . 2 2 1 1 PAR H32 H 1 3.821 0.391 . . . . . A 101 PAR H32 . 25427 4 17 . 2 2 1 1 PAR H33 H 1 4.406 0.117 . . . . . A 101 PAR H33 . 25427 4 18 . 2 2 1 1 PAR H34 H 1 3.987 0.049 . . . . . A 101 PAR H34 . 25427 4 19 . 2 2 1 1 PAR H351 H 1 4.476 0.193 . . . . . A 101 PAR H351 . 25427 4 20 . 2 2 1 1 PAR H352 H 1 3.502 0.069 . . . . . A 101 PAR H352 . 25427 4 21 . 2 2 1 1 PAR H41 H 1 5.510 0.072 . . . . . A 101 PAR H41 . 25427 4 22 . 2 2 1 1 PAR H42 H 1 3.646 0.002 . . . . . A 101 PAR H42 . 25427 4 23 . 2 2 1 1 PAR H43 H 1 4.331 0.002 . . . . . A 101 PAR H43 . 25427 4 24 . 2 2 1 1 PAR H44 H 1 3.966 0.003 . . . . . A 101 PAR H44 . 25427 4 25 . 2 2 1 1 PAR H45 H 1 4.544 0.005 . . . . . A 101 PAR H45 . 25427 4 26 . 2 2 1 1 PAR H461 H 1 3.530 0.003 . . . . . A 101 PAR H461 . 25427 4 27 . 2 2 1 1 PAR H462 H 1 4.388 0.003 . . . . . A 101 PAR H462 . 25427 4 stop_ save_ save_assigned_chem_shift_list_3_dup_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3_dup_dup _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 25427 5 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 5.868 0.034 . . . . . A 1 G H1' . 25427 5 2 . 1 1 1 1 G H2' H 1 4.876 0.033 . . . . . A 1 G H2' . 25427 5 3 . 1 1 1 1 G H3' H 1 4.749 0.073 . . . . . A 1 G H3' . 25427 5 4 . 1 1 1 1 G H4' H 1 4.600 0.004 . . . . . A 1 G H4' . 25427 5 5 . 1 1 1 1 G H5" H 1 4.492 0.045 . . . . . A 1 G H5" . 25427 5 6 . 1 1 1 1 G H5' H 1 4.330 0.021 . . . . . A 1 G H5' . 25427 5 7 . 1 1 1 1 G H8 H 1 8.252 0.030 . . . . . A 1 G H8 . 25427 5 8 . 1 1 1 1 G C1' C 13 91.689 0.076 . . . . . A 1 G C1' . 25427 5 9 . 1 1 1 1 G C2' C 13 75.348 0.097 . . . . . A 1 G C2' . 25427 5 10 . 1 1 1 1 G C3' C 13 74.472 0.142 . . . . . A 1 G C3' . 25427 5 11 . 1 1 1 1 G C4' C 13 83.118 0.032 . . . . . A 1 G C4' . 25427 5 12 . 1 1 1 1 G C5' C 13 66.771 0.000 . . . . . A 1 G C5' . 25427 5 13 . 1 1 1 1 G C8 C 13 139.199 0.004 . . . . . A 1 G C8 . 25427 5 14 . 1 1 2 2 G H1' H 1 5.960 0.037 . . . . . A 2 G H1' . 25427 5 15 . 1 1 2 2 G H2' H 1 4.798 0.040 . . . . . A 2 G H2' . 25427 5 16 . 1 1 2 2 G H3' H 1 4.467 0.037 . . . . . A 2 G H3' . 25427 5 17 . 1 1 2 2 G H4' H 1 4.605 0.005 . . . . . A 2 G H4' . 25427 5 18 . 1 1 2 2 G H5" H 1 4.532 0.025 . . . . . A 2 G H5" . 25427 5 19 . 1 1 2 2 G H5' H 1 4.290 0.020 . . . . . A 2 G H5' . 25427 5 20 . 1 1 2 2 G H8 H 1 7.595 0.038 . . . . . A 2 G H8 . 25427 5 21 . 1 1 2 2 G C1' C 13 93.259 0.060 . . . . . A 2 G C1' . 25427 5 22 . 1 1 2 2 G C2' C 13 75.108 0.079 . . . . . A 2 G C2' . 25427 5 23 . 1 1 2 2 G C3' C 13 73.026 0.095 . . . . . A 2 G C3' . 25427 5 24 . 1 1 2 2 G C4' C 13 82.598 0.040 . . . . . A 2 G C4' . 25427 5 25 . 1 1 2 2 G C5' C 13 66.181 0.000 . . . . . A 2 G C5' . 25427 5 26 . 1 1 2 2 G C8 C 13 137.236 0.013 . . . . . A 2 G C8 . 25427 5 27 . 1 1 3 3 C H1' H 1 5.584 0.031 . . . . . A 3 C H1' . 25427 5 28 . 1 1 3 3 C H2' H 1 4.363 0.004 . . . . . A 3 C H2' . 25427 5 29 . 1 1 3 3 C H3' H 1 4.555 0.004 . . . . . A 3 C H3' . 25427 5 30 . 1 1 3 3 C H4' H 1 4.496 0.013 . . . . . A 3 C H4' . 25427 5 31 . 1 1 3 3 C H5 H 1 5.480 0.042 . . . . . A 3 C H5 . 25427 5 32 . 1 1 3 3 C H5" H 1 4.601 0.028 . . . . . A 3 C H5" . 25427 5 33 . 1 1 3 3 C H5' H 1 4.150 0.021 . . . . . A 3 C H5' . 25427 5 34 . 1 1 3 3 C H6 H 1 7.786 0.040 . . . . . A 3 C H6 . 25427 5 35 . 1 1 3 3 C C1' C 13 94.114 0.108 . . . . . A 3 C C1' . 25427 5 36 . 1 1 3 3 C C2' C 13 75.432 0.063 . . . . . A 3 C C2' . 25427 5 37 . 1 1 3 3 C C3' C 13 71.938 0.098 . . . . . A 3 C C3' . 25427 5 38 . 1 1 3 3 C C4' C 13 81.692 0.085 . . . . . A 3 C C4' . 25427 5 39 . 1 1 3 3 C C5 C 13 97.155 0.019 . . . . . A 3 C C5 . 25427 5 40 . 1 1 3 3 C C5' C 13 63.848 0.000 . . . . . A 3 C C5' . 25427 5 41 . 1 1 3 3 C C6 C 13 140.823 0.022 . . . . . A 3 C C6 . 25427 5 42 . 1 1 4 4 U H1' H 1 5.536 0.036 . . . . . A 4 U H1' . 25427 5 43 . 1 1 4 4 U H2' H 1 4.270 0.034 . . . . . A 4 U H2' . 25427 5 44 . 1 1 4 4 U H3' H 1 4.637 0.026 . . . . . A 4 U H3' . 25427 5 45 . 1 1 4 4 U H4' H 1 4.444 0.005 . . . . . A 4 U H4' . 25427 5 46 . 1 1 4 4 U H5 H 1 5.470 0.038 . . . . . A 4 U H5 . 25427 5 47 . 1 1 4 4 U H5' H 1 4.150 0.002 . . . . . A 4 U H5' . 25427 5 48 . 1 1 4 4 U H6 H 1 7.943 0.043 . . . . . A 4 U H6 . 25427 5 49 . 1 1 4 4 U C1' C 13 93.960 0.110 . . . . . A 4 U C1' . 25427 5 50 . 1 1 4 4 U C2' C 13 75.018 0.072 . . . . . A 4 U C2' . 25427 5 51 . 1 1 4 4 U C3' C 13 71.911 0.065 . . . . . A 4 U C3' . 25427 5 52 . 1 1 4 4 U C4' C 13 82.248 0.000 . . . . . A 4 U C4' . 25427 5 53 . 1 1 4 4 U C5 C 13 102.761 0.006 . . . . . A 4 U C5 . 25427 5 54 . 1 1 4 4 U C6 C 13 142.290 0.002 . . . . . A 4 U C6 . 25427 5 55 . 1 1 5 5 G H1' H 1 5.875 0.037 . . . . . A 5 G H1' . 25427 5 56 . 1 1 5 5 G H2' H 1 4.859 0.070 . . . . . A 5 G H2' . 25427 5 57 . 1 1 5 5 G H3' H 1 4.282 0.028 . . . . . A 5 G H3' . 25427 5 58 . 1 1 5 5 G H4' H 1 4.653 0.006 . . . . . A 5 G H4' . 25427 5 59 . 1 1 5 5 G H5" H 1 4.565 0.003 . . . . . A 5 G H5" . 25427 5 60 . 1 1 5 5 G H5' H 1 4.759 0.005 . . . . . A 5 G H5' . 25427 5 61 . 1 1 5 5 G H8 H 1 8.088 0.042 . . . . . A 5 G H8 . 25427 5 62 . 1 1 5 5 G C1' C 13 88.908 0.089 . . . . . A 5 G C1' . 25427 5 63 . 1 1 5 5 G C2' C 13 77.942 0.143 . . . . . A 5 G C2' . 25427 5 64 . 1 1 5 5 G C3' C 13 75.760 0.000 . . . . . A 5 G C3' . 25427 5 65 . 1 1 5 5 G C4' C 13 86.122 0.025 . . . . . A 5 G C4' . 25427 5 66 . 1 1 5 5 G C8 C 13 138.594 0.005 . . . . . A 5 G C8 . 25427 5 67 . 1 1 6 6 C H1' H 1 5.677 0.030 . . . . . A 6 C H1' . 25427 5 68 . 1 1 6 6 C H2' H 1 4.240 0.032 . . . . . A 6 C H2' . 25427 5 69 . 1 1 6 6 C H3' H 1 4.574 0.295 . . . . . A 6 C H3' . 25427 5 70 . 1 1 6 6 C H4' H 1 4.410 0.005 . . . . . A 6 C H4' . 25427 5 71 . 1 1 6 6 C H5 H 1 5.722 0.377 . . . . . A 6 C H5 . 25427 5 72 . 1 1 6 6 C H5" H 1 4.330 0.022 . . . . . A 6 C H5" . 25427 5 73 . 1 1 6 6 C H5' H 1 4.547 0.022 . . . . . A 6 C H5' . 25427 5 74 . 1 1 6 6 C H6 H 1 7.855 0.106 . . . . . A 6 C H6 . 25427 5 75 . 1 1 6 6 C C1' C 13 91.375 0.213 . . . . . A 6 C C1' . 25427 5 76 . 1 1 6 6 C C2' C 13 76.863 0.107 . . . . . A 6 C C2' . 25427 5 77 . 1 1 6 6 C C3' C 13 75.033 1.306 . . . . . A 6 C C3' . 25427 5 78 . 1 1 6 6 C C4' C 13 84.039 0.031 . . . . . A 6 C C4' . 25427 5 79 . 1 1 6 6 C C5 C 13 98.421 0.422 . . . . . A 6 C C5 . 25427 5 80 . 1 1 6 6 C C5' C 13 67.671 0.000 . . . . . A 6 C C5' . 25427 5 81 . 1 1 6 6 C C6 C 13 142.548 0.002 . . . . . A 6 C C6 . 25427 5 82 . 1 1 7 7 U H1' H 1 6.086 0.010 . . . . . A 7 U H1' . 25427 5 83 . 1 1 7 7 U H2' H 1 4.477 0.034 . . . . . A 7 U H2' . 25427 5 84 . 1 1 7 7 U H3' H 1 4.681 0.007 . . . . . A 7 U H3' . 25427 5 85 . 1 1 7 7 U H4' H 1 4.582 0.081 . . . . . A 7 U H4' . 25427 5 86 . 1 1 7 7 U H5 H 1 5.976 0.023 . . . . . A 7 U H5 . 25427 5 87 . 1 1 7 7 U H5' H 1 4.191 0.021 . . . . . A 7 U H5' . 25427 5 88 . 1 1 7 7 U H6 H 1 7.930 0.036 . . . . . A 7 U H6 . 25427 5 89 . 1 1 7 7 U C1' C 13 90.113 0.039 . . . . . A 7 U C1' . 25427 5 90 . 1 1 7 7 U C2' C 13 75.256 0.401 . . . . . A 7 U C2' . 25427 5 91 . 1 1 7 7 U C3' C 13 77.037 0.176 . . . . . A 7 U C3' . 25427 5 92 . 1 1 7 7 U C4' C 13 85.053 0.120 . . . . . A 7 U C4' . 25427 5 93 . 1 1 7 7 U C5 C 13 105.652 0.102 . . . . . A 7 U C5 . 25427 5 94 . 1 1 7 7 U C5' C 13 67.730 0.000 . . . . . A 7 U C5' . 25427 5 95 . 1 1 7 7 U C6 C 13 144.027 0.017 . . . . . A 7 U C6 . 25427 5 96 . 1 1 8 8 U H1' H 1 6.131 0.060 . . . . . A 8 U H1' . 25427 5 97 . 1 1 8 8 U H2' H 1 4.551 0.099 . . . . . A 8 U H2' . 25427 5 98 . 1 1 8 8 U H3' H 1 4.750 0.082 . . . . . A 8 U H3' . 25427 5 99 . 1 1 8 8 U H4' H 1 4.584 0.079 . . . . . A 8 U H4' . 25427 5 100 . 1 1 8 8 U H5 H 1 6.008 0.069 . . . . . A 8 U H5 . 25427 5 101 . 1 1 8 8 U H5" H 1 4.300 0.022 . . . . . A 8 U H5" . 25427 5 102 . 1 1 8 8 U H5' H 1 4.215 0.020 . . . . . A 8 U H5' . 25427 5 103 . 1 1 8 8 U H6 H 1 7.960 0.044 . . . . . A 8 U H6 . 25427 5 104 . 1 1 8 8 U C1' C 13 90.090 0.016 . . . . . A 8 U C1' . 25427 5 105 . 1 1 8 8 U C2' C 13 74.888 0.396 . . . . . A 8 U C2' . 25427 5 106 . 1 1 8 8 U C3' C 13 76.716 0.063 . . . . . A 8 U C3' . 25427 5 107 . 1 1 8 8 U C4' C 13 85.048 0.114 . . . . . A 8 U C4' . 25427 5 108 . 1 1 8 8 U C5 C 13 105.689 0.092 . . . . . A 8 U C5 . 25427 5 109 . 1 1 8 8 U C5' C 13 68.021 0.000 . . . . . A 8 U C5' . 25427 5 110 . 1 1 8 8 U C6 C 13 143.984 0.019 . . . . . A 8 U C6 . 25427 5 111 . 1 1 9 9 G H1' H 1 5.783 0.033 . . . . . A 9 G H1' . 25427 5 112 . 1 1 9 9 G H2' H 1 4.887 0.118 . . . . . A 9 G H2' . 25427 5 113 . 1 1 9 9 G H3' H 1 4.105 0.005 . . . . . A 9 G H3' . 25427 5 114 . 1 1 9 9 G H4' H 1 4.579 0.005 . . . . . A 9 G H4' . 25427 5 115 . 1 1 9 9 G H5" H 1 4.384 0.020 . . . . . A 9 G H5" . 25427 5 116 . 1 1 9 9 G H5' H 1 4.315 0.023 . . . . . A 9 G H5' . 25427 5 117 . 1 1 9 9 G H8 H 1 7.885 0.033 . . . . . A 9 G H8 . 25427 5 118 . 1 1 9 9 G C1' C 13 94.396 0.075 . . . . . A 9 G C1' . 25427 5 119 . 1 1 9 9 G C2' C 13 74.620 0.180 . . . . . A 9 G C2' . 25427 5 120 . 1 1 9 9 G C3' C 13 75.592 0.073 . . . . . A 9 G C3' . 25427 5 121 . 1 1 9 9 G C4' C 13 82.889 0.091 . . . . . A 9 G C4' . 25427 5 122 . 1 1 9 9 G C5' C 13 68.981 0.000 . . . . . A 9 G C5' . 25427 5 123 . 1 1 9 9 G C8 C 13 137.232 0.022 . . . . . A 9 G C8 . 25427 5 124 . 1 1 10 10 U H1' H 1 5.595 0.039 . . . . . A 10 U H1' . 25427 5 125 . 1 1 10 10 U H2' H 1 3.727 0.039 . . . . . A 10 U H2' . 25427 5 126 . 1 1 10 10 U H3' H 1 4.548 0.004 . . . . . A 10 U H3' . 25427 5 127 . 1 1 10 10 U H4' H 1 4.370 0.003 . . . . . A 10 U H4' . 25427 5 128 . 1 1 10 10 U H5 H 1 5.160 0.039 . . . . . A 10 U H5 . 25427 5 129 . 1 1 10 10 U H5" H 1 4.476 0.024 . . . . . A 10 U H5" . 25427 5 130 . 1 1 10 10 U H5' H 1 4.089 0.025 . . . . . A 10 U H5' . 25427 5 131 . 1 1 10 10 U H6 H 1 7.820 0.024 . . . . . A 10 U H6 . 25427 5 132 . 1 1 10 10 U C1' C 13 93.977 0.032 . . . . . A 10 U C1' . 25427 5 133 . 1 1 10 10 U C2' C 13 75.518 0.013 . . . . . A 10 U C2' . 25427 5 134 . 1 1 10 10 U C3' C 13 71.172 0.189 . . . . . A 10 U C3' . 25427 5 135 . 1 1 10 10 U C4' C 13 82.647 0.124 . . . . . A 10 U C4' . 25427 5 136 . 1 1 10 10 U C5 C 13 102.953 0.048 . . . . . A 10 U C5 . 25427 5 137 . 1 1 10 10 U C5' C 13 63.931 0.000 . . . . . A 10 U C5' . 25427 5 138 . 1 1 10 10 U C6 C 13 141.988 0.008 . . . . . A 10 U C6 . 25427 5 139 . 1 1 11 11 C H1' H 1 5.654 0.021 . . . . . A 11 C H1' . 25427 5 140 . 1 1 11 11 C H2' H 1 4.187 0.045 . . . . . A 11 C H2' . 25427 5 141 . 1 1 11 11 C H3' H 1 4.732 0.005 . . . . . A 11 C H3' . 25427 5 142 . 1 1 11 11 C H4' H 1 4.415 0.002 . . . . . A 11 C H4' . 25427 5 143 . 1 1 11 11 C H5 H 1 5.798 0.044 . . . . . A 11 C H5 . 25427 5 144 . 1 1 11 11 C H5" H 1 4.338 0.025 . . . . . A 11 C H5" . 25427 5 145 . 1 1 11 11 C H5' H 1 4.040 0.023 . . . . . A 11 C H5' . 25427 5 146 . 1 1 11 11 C H6 H 1 7.754 0.038 . . . . . A 11 C H6 . 25427 5 147 . 1 1 11 11 C C1' C 13 90.769 0.193 . . . . . A 11 C C1' . 25427 5 148 . 1 1 11 11 C C3' C 13 75.897 0.051 . . . . . A 11 C C3' . 25427 5 149 . 1 1 11 11 C C4' C 13 84.065 0.002 . . . . . A 11 C C4' . 25427 5 150 . 1 1 11 11 C C5 C 13 98.952 0.064 . . . . . A 11 C C5 . 25427 5 151 . 1 1 11 11 C C5' C 13 66.631 0.000 . . . . . A 11 C C5' . 25427 5 152 . 1 1 11 11 C C6 C 13 142.958 0.007 . . . . . A 11 C C6 . 25427 5 153 . 1 1 12 12 C H1' H 1 5.623 0.004 . . . . . A 12 C H1' . 25427 5 154 . 1 1 12 12 C H2' H 1 4.491 0.005 . . . . . A 12 C H2' . 25427 5 155 . 1 1 12 12 C H3' H 1 4.093 0.003 . . . . . A 12 C H3' . 25427 5 156 . 1 1 12 12 C H4' H 1 4.485 0.061 . . . . . A 12 C H4' . 25427 5 157 . 1 1 12 12 C H5 H 1 5.402 0.292 . . . . . A 12 C H5 . 25427 5 158 . 1 1 12 12 C H5" H 1 4.471 0.000 . . . . . A 12 C H5" . 25427 5 159 . 1 1 12 12 C H5' H 1 4.277 0.010 . . . . . A 12 C H5' . 25427 5 160 . 1 1 12 12 C H6 H 1 7.751 0.041 . . . . . A 12 C H6 . 25427 5 161 . 1 1 12 12 C C1' C 13 94.399 0.085 . . . . . A 12 C C1' . 25427 5 162 . 1 1 12 12 C C2' C 13 75.518 0.041 . . . . . A 12 C C2' . 25427 5 163 . 1 1 12 12 C C3' C 13 73.071 0.024 . . . . . A 12 C C3' . 25427 5 164 . 1 1 12 12 C C4' C 13 82.943 0.058 . . . . . A 12 C C4' . 25427 5 165 . 1 1 12 12 C C5 C 13 97.991 0.453 . . . . . A 12 C C5 . 25427 5 166 . 1 1 12 12 C C6 C 13 142.244 0.009 . . . . . A 12 C C6 . 25427 5 167 . 1 1 13 13 U H1' H 1 5.725 0.036 . . . . . A 13 U H1' . 25427 5 168 . 1 1 13 13 U H2' H 1 4.202 0.036 . . . . . A 13 U H2' . 25427 5 169 . 1 1 13 13 U H3' H 1 4.461 0.040 . . . . . A 13 U H3' . 25427 5 170 . 1 1 13 13 U H4' H 1 4.407 0.007 . . . . . A 13 U H4' . 25427 5 171 . 1 1 13 13 U H5 H 1 5.517 0.041 . . . . . A 13 U H5 . 25427 5 172 . 1 1 13 13 U H5" H 1 4.385 0.163 . . . . . A 13 U H5" . 25427 5 173 . 1 1 13 13 U H5' H 1 4.102 0.026 . . . . . A 13 U H5' . 25427 5 174 . 1 1 13 13 U H6 H 1 7.930 0.043 . . . . . A 13 U H6 . 25427 5 175 . 1 1 13 13 U C1' C 13 93.269 0.067 . . . . . A 13 U C1' . 25427 5 176 . 1 1 13 13 U C2' C 13 75.593 0.057 . . . . . A 13 U C2' . 25427 5 177 . 1 1 13 13 U C3' C 13 71.281 0.034 . . . . . A 13 U C3' . 25427 5 178 . 1 1 13 13 U C4' C 13 82.212 0.033 . . . . . A 13 U C4' . 25427 5 179 . 1 1 13 13 U C5 C 13 104.810 0.021 . . . . . A 13 U C5 . 25427 5 180 . 1 1 13 13 U C5' C 13 64.211 0.000 . . . . . A 13 U C5' . 25427 5 181 . 1 1 13 13 U C6 C 13 140.402 0.002 . . . . . A 13 U C6 . 25427 5 182 . 1 1 14 14 U H1' H 1 5.450 0.033 . . . . . A 14 U H1' . 25427 5 183 . 1 1 14 14 U H2' H 1 4.776 0.240 . . . . . A 14 U H2' . 25427 5 184 . 1 1 14 14 U H3' H 1 4.481 0.077 . . . . . A 14 U H3' . 25427 5 185 . 1 1 14 14 U H4' H 1 4.301 0.052 . . . . . A 14 U H4' . 25427 5 186 . 1 1 14 14 U H5 H 1 5.303 0.037 . . . . . A 14 U H5 . 25427 5 187 . 1 1 14 14 U H5" H 1 4.525 0.005 . . . . . A 14 U H5" . 25427 5 188 . 1 1 14 14 U H5' H 1 4.037 0.007 . . . . . A 14 U H5' . 25427 5 189 . 1 1 14 14 U H6 H 1 7.504 0.041 . . . . . A 14 U H6 . 25427 5 190 . 1 1 14 14 U C1' C 13 94.434 0.110 . . . . . A 14 U C1' . 25427 5 191 . 1 1 14 14 U C2' C 13 74.290 0.029 . . . . . A 14 U C2' . 25427 5 192 . 1 1 14 14 U C3' C 13 71.929 0.088 . . . . . A 14 U C3' . 25427 5 193 . 1 1 14 14 U C4' C 13 81.808 0.058 . . . . . A 14 U C4' . 25427 5 194 . 1 1 14 14 U C5 C 13 102.770 0.020 . . . . . A 14 U C5 . 25427 5 195 . 1 1 14 14 U C6 C 13 141.814 0.015 . . . . . A 14 U C6 . 25427 5 196 . 1 1 15 15 U H1' H 1 5.351 0.037 . . . . . A 15 U H1' . 25427 5 197 . 1 1 15 15 U H2' H 1 4.070 0.037 . . . . . A 15 U H2' . 25427 5 198 . 1 1 15 15 U H3' H 1 4.268 0.039 . . . . . A 15 U H3' . 25427 5 199 . 1 1 15 15 U H4' H 1 4.185 0.005 . . . . . A 15 U H4' . 25427 5 200 . 1 1 15 15 U H5 H 1 5.706 0.043 . . . . . A 15 U H5 . 25427 5 201 . 1 1 15 15 U H5" H 1 4.244 0.025 . . . . . A 15 U H5" . 25427 5 202 . 1 1 15 15 U H5' H 1 3.992 0.019 . . . . . A 15 U H5' . 25427 5 203 . 1 1 15 15 U H6 H 1 7.678 0.040 . . . . . A 15 U H6 . 25427 5 204 . 1 1 15 15 U C1' C 13 94.485 0.042 . . . . . A 15 U C1' . 25427 5 205 . 1 1 15 15 U C2' C 13 75.580 0.065 . . . . . A 15 U C2' . 25427 5 206 . 1 1 15 15 U C3' C 13 71.290 0.020 . . . . . A 15 U C3' . 25427 5 207 . 1 1 15 15 U C4' C 13 82.466 0.015 . . . . . A 15 U C4' . 25427 5 208 . 1 1 15 15 U C5 C 13 104.043 0.026 . . . . . A 15 U C5 . 25427 5 209 . 1 1 15 15 U C5' C 13 63.401 0.000 . . . . . A 15 U C5' . 25427 5 210 . 1 1 15 15 U C6 C 13 142.880 0.010 . . . . . A 15 U C6 . 25427 5 211 . 1 1 16 16 A H1' H 1 6.295 0.036 . . . . . A 16 A H1' . 25427 5 212 . 1 1 16 16 A H2 H 1 8.364 0.005 . . . . . A 16 A H2 . 25427 5 213 . 1 1 16 16 A H2' H 1 4.087 0.022 . . . . . A 16 A H2' . 25427 5 214 . 1 1 16 16 A H3' H 1 5.101 0.034 . . . . . A 16 A H3' . 25427 5 215 . 1 1 16 16 A H4' H 1 4.265 0.004 . . . . . A 16 A H4' . 25427 5 216 . 1 1 16 16 A H5" H 1 4.257 0.026 . . . . . A 16 A H5" . 25427 5 217 . 1 1 16 16 A H5' H 1 4.019 0.022 . . . . . A 16 A H5' . 25427 5 218 . 1 1 16 16 A H8 H 1 8.234 0.042 . . . . . A 16 A H8 . 25427 5 219 . 1 1 16 16 A C1' C 13 92.904 0.022 . . . . . A 16 A C1' . 25427 5 220 . 1 1 16 16 A C2 C 13 155.640 0.000 . . . . . A 16 A C2 . 25427 5 221 . 1 1 16 16 A C2' C 13 76.794 0.043 . . . . . A 16 A C2' . 25427 5 222 . 1 1 16 16 A C3' C 13 71.943 0.042 . . . . . A 16 A C3' . 25427 5 223 . 1 1 16 16 A C4' C 13 83.333 0.058 . . . . . A 16 A C4' . 25427 5 224 . 1 1 16 16 A C5' C 13 63.841 0.000 . . . . . A 16 A C5' . 25427 5 225 . 1 1 16 16 A C8 C 13 142.321 0.001 . . . . . A 16 A C8 . 25427 5 226 . 1 1 17 17 A H1' H 1 6.234 0.038 . . . . . A 17 A H1' . 25427 5 227 . 1 1 17 17 A H2 H 1 8.215 0.002 . . . . . A 17 A H2 . 25427 5 228 . 1 1 17 17 A H2' H 1 5.079 0.353 . . . . . A 17 A H2' . 25427 5 229 . 1 1 17 17 A H3' H 1 5.140 0.021 . . . . . A 17 A H3' . 25427 5 230 . 1 1 17 17 A H4' H 1 4.404 0.044 . . . . . A 17 A H4' . 25427 5 231 . 1 1 17 17 A H5' H 1 4.143 0.021 . . . . . A 17 A H5' . 25427 5 232 . 1 1 17 17 A H8 H 1 8.489 0.034 . . . . . A 17 A H8 . 25427 5 233 . 1 1 17 17 A C1' C 13 87.923 0.025 . . . . . A 17 A C1' . 25427 5 234 . 1 1 17 17 A C2 C 13 155.961 0.000 . . . . . A 17 A C2 . 25427 5 235 . 1 1 17 17 A C2' C 13 74.263 0.012 . . . . . A 17 A C2' . 25427 5 236 . 1 1 17 17 A C3' C 13 78.168 2.764 . . . . . A 17 A C3' . 25427 5 237 . 1 1 17 17 A C4' C 13 84.863 0.038 . . . . . A 17 A C4' . 25427 5 238 . 1 1 17 17 A C5' C 13 67.141 0.000 . . . . . A 17 A C5' . 25427 5 239 . 1 1 17 17 A C8 C 13 141.436 0.012 . . . . . A 17 A C8 . 25427 5 240 . 1 1 18 18 U H1' H 1 4.554 0.037 . . . . . A 18 U H1' . 25427 5 241 . 1 1 18 18 U H2' H 1 4.323 0.033 . . . . . A 18 U H2' . 25427 5 242 . 1 1 18 18 U H3' H 1 4.117 0.026 . . . . . A 18 U H3' . 25427 5 243 . 1 1 18 18 U H4' H 1 3.280 0.005 . . . . . A 18 U H4' . 25427 5 244 . 1 1 18 18 U H5 H 1 5.894 0.043 . . . . . A 18 U H5 . 25427 5 245 . 1 1 18 18 U H5" H 1 4.073 0.005 . . . . . A 18 U H5" . 25427 5 246 . 1 1 18 18 U H5' H 1 4.034 0.061 . . . . . A 18 U H5' . 25427 5 247 . 1 1 18 18 U H6 H 1 7.192 0.037 . . . . . A 18 U H6 . 25427 5 248 . 1 1 18 18 U C1' C 13 93.172 0.025 . . . . . A 18 U C1' . 25427 5 249 . 1 1 18 18 U C2' C 13 74.650 0.032 . . . . . A 18 U C2' . 25427 5 250 . 1 1 18 18 U C3' C 13 71.103 0.046 . . . . . A 18 U C3' . 25427 5 251 . 1 1 18 18 U C4' C 13 81.160 0.000 . . . . . A 18 U C4' . 25427 5 252 . 1 1 18 18 U C5 C 13 106.470 0.020 . . . . . A 18 U C5 . 25427 5 253 . 1 1 18 18 U C6 C 13 139.979 0.005 . . . . . A 18 U C6 . 25427 5 254 . 1 1 19 19 G H1' H 1 5.906 0.005 . . . . . A 19 G H1' . 25427 5 255 . 1 1 19 19 G H2' H 1 4.921 0.003 . . . . . A 19 G H2' . 25427 5 256 . 1 1 19 19 G H3' H 1 4.598 0.306 . . . . . A 19 G H3' . 25427 5 257 . 1 1 19 19 G H4' H 1 4.398 0.004 . . . . . A 19 G H4' . 25427 5 258 . 1 1 19 19 G H5" H 1 4.108 0.005 . . . . . A 19 G H5" . 25427 5 259 . 1 1 19 19 G H5' H 1 4.220 0.000 . . . . . A 19 G H5' . 25427 5 260 . 1 1 19 19 G H8 H 1 7.550 0.030 . . . . . A 19 G H8 . 25427 5 261 . 1 1 19 19 G C1' C 13 91.710 0.075 . . . . . A 19 G C1' . 25427 5 262 . 1 1 19 19 G C2' C 13 76.149 0.027 . . . . . A 19 G C2' . 25427 5 263 . 1 1 19 19 G C3' C 13 72.174 0.090 . . . . . A 19 G C3' . 25427 5 264 . 1 1 19 19 G C4' C 13 81.247 0.033 . . . . . A 19 G C4' . 25427 5 265 . 1 1 19 19 G C8 C 13 136.587 0.021 . . . . . A 19 G C8 . 25427 5 266 . 1 1 20 20 G H1' H 1 5.402 0.038 . . . . . A 20 G H1' . 25427 5 267 . 1 1 20 20 G H2' H 1 4.500 0.159 . . . . . A 20 G H2' . 25427 5 268 . 1 1 20 20 G H3' H 1 4.088 0.072 . . . . . A 20 G H3' . 25427 5 269 . 1 1 20 20 G H4' H 1 4.570 0.007 . . . . . A 20 G H4' . 25427 5 270 . 1 1 20 20 G H5" H 1 4.249 0.029 . . . . . A 20 G H5" . 25427 5 271 . 1 1 20 20 G H5' H 1 4.146 0.093 . . . . . A 20 G H5' . 25427 5 272 . 1 1 20 20 G H8 H 1 7.206 0.036 . . . . . A 20 G H8 . 25427 5 273 . 1 1 20 20 G C1' C 13 93.252 0.069 . . . . . A 20 G C1' . 25427 5 274 . 1 1 20 20 G C2' C 13 75.581 0.401 . . . . . A 20 G C2' . 25427 5 275 . 1 1 20 20 G C3' C 13 74.013 0.041 . . . . . A 20 G C3' . 25427 5 276 . 1 1 20 20 G C4' C 13 82.649 0.138 . . . . . A 20 G C4' . 25427 5 277 . 1 1 20 20 G C5' C 13 69.111 0.000 . . . . . A 20 G C5' . 25427 5 278 . 1 1 20 20 G C8 C 13 137.109 0.008 . . . . . A 20 G C8 . 25427 5 279 . 1 1 21 21 U H1' H 1 5.577 0.040 . . . . . A 21 U H1' . 25427 5 280 . 1 1 21 21 U H2' H 1 4.561 0.004 . . . . . A 21 U H2' . 25427 5 281 . 1 1 21 21 U H3' H 1 4.371 0.038 . . . . . A 21 U H3' . 25427 5 282 . 1 1 21 21 U H4' H 1 4.305 0.152 . . . . . A 21 U H4' . 25427 5 283 . 1 1 21 21 U H5 H 1 5.193 0.038 . . . . . A 21 U H5 . 25427 5 284 . 1 1 21 21 U H5" H 1 4.664 0.027 . . . . . A 21 U H5" . 25427 5 285 . 1 1 21 21 U H5' H 1 4.139 0.085 . . . . . A 21 U H5' . 25427 5 286 . 1 1 21 21 U H6 H 1 7.532 0.032 . . . . . A 21 U H6 . 25427 5 287 . 1 1 21 21 U C1' C 13 93.749 0.111 . . . . . A 21 U C1' . 25427 5 288 . 1 1 21 21 U C2' C 13 75.124 0.086 . . . . . A 21 U C2' . 25427 5 289 . 1 1 21 21 U C3' C 13 71.941 0.057 . . . . . A 21 U C3' . 25427 5 290 . 1 1 21 21 U C5 C 13 102.270 0.095 . . . . . A 21 U C5 . 25427 5 291 . 1 1 21 21 U C5' C 13 63.871 0.000 . . . . . A 21 U C5' . 25427 5 292 . 1 1 21 21 U C6 C 13 142.510 0.011 . . . . . A 21 U C6 . 25427 5 293 . 1 1 22 22 C H1' H 1 5.592 0.004 . . . . . A 22 C H1' . 25427 5 294 . 1 1 22 22 C H2' H 1 4.487 0.006 . . . . . A 22 C H2' . 25427 5 295 . 1 1 22 22 C H3' H 1 4.460 0.006 . . . . . A 22 C H3' . 25427 5 296 . 1 1 22 22 C H4' H 1 4.434 0.003 . . . . . A 22 C H4' . 25427 5 297 . 1 1 22 22 C H5 H 1 5.900 0.042 . . . . . A 22 C H5 . 25427 5 298 . 1 1 22 22 C H5" H 1 4.519 0.030 . . . . . A 22 C H5" . 25427 5 299 . 1 1 22 22 C H5' H 1 4.167 0.029 . . . . . A 22 C H5' . 25427 5 300 . 1 1 22 22 C H6 H 1 8.119 0.037 . . . . . A 22 C H6 . 25427 5 301 . 1 1 22 22 C C1' C 13 93.339 0.051 . . . . . A 22 C C1' . 25427 5 302 . 1 1 22 22 C C2' C 13 75.778 0.038 . . . . . A 22 C C2' . 25427 5 303 . 1 1 22 22 C C3' C 13 71.953 0.045 . . . . . A 22 C C3' . 25427 5 304 . 1 1 22 22 C C4' C 13 82.118 0.055 . . . . . A 22 C C4' . 25427 5 305 . 1 1 22 22 C C5 C 13 98.671 0.016 . . . . . A 22 C C5 . 25427 5 306 . 1 1 22 22 C C5' C 13 64.381 0.000 . . . . . A 22 C C5' . 25427 5 307 . 1 1 22 22 C C6 C 13 141.219 0.006 . . . . . A 22 C C6 . 25427 5 308 . 1 1 23 23 C H1' H 1 5.545 0.032 . . . . . A 23 C H1' . 25427 5 309 . 1 1 23 23 C H2' H 1 4.301 0.036 . . . . . A 23 C H2' . 25427 5 310 . 1 1 23 23 C H3' H 1 4.651 0.038 . . . . . A 23 C H3' . 25427 5 311 . 1 1 23 23 C H4' H 1 4.400 0.007 . . . . . A 23 C H4' . 25427 5 312 . 1 1 23 23 C H5 H 1 5.734 0.037 . . . . . A 23 C H5 . 25427 5 313 . 1 1 23 23 C H5" H 1 4.585 0.005 . . . . . A 23 C H5" . 25427 5 314 . 1 1 23 23 C H5' H 1 4.153 0.008 . . . . . A 23 C H5' . 25427 5 315 . 1 1 23 23 C H6 H 1 8.041 0.040 . . . . . A 23 C H6 . 25427 5 316 . 1 1 23 23 C C1' C 13 93.425 0.116 . . . . . A 23 C C1' . 25427 5 317 . 1 1 23 23 C C2' C 13 75.060 0.000 . . . . . A 23 C C2' . 25427 5 318 . 1 1 23 23 C C3' C 13 71.926 0.055 . . . . . A 23 C C3' . 25427 5 319 . 1 1 23 23 C C4' C 13 81.796 0.069 . . . . . A 23 C C4' . 25427 5 320 . 1 1 23 23 C C5 C 13 98.971 0.005 . . . . . A 23 C C5 . 25427 5 321 . 1 1 23 23 C C6 C 13 140.270 0.004 . . . . . A 23 C C6 . 25427 5 322 . 1 1 24 24 A H1' H 1 5.862 0.035 . . . . . A 24 A H1' . 25427 5 323 . 1 1 24 24 A H2 H 1 7.261 0.038 . . . . . A 24 A H2 . 25427 5 324 . 1 1 24 24 A H2' H 1 4.713 0.007 . . . . . A 24 A H2' . 25427 5 325 . 1 1 24 24 A H3' H 1 4.820 0.004 . . . . . A 24 A H3' . 25427 5 326 . 1 1 24 24 A H4' H 1 4.480 0.005 . . . . . A 24 A H4' . 25427 5 327 . 1 1 24 24 A H5" H 1 4.613 0.021 . . . . . A 24 A H5" . 25427 5 328 . 1 1 24 24 A H5' H 1 4.177 0.020 . . . . . A 24 A H5' . 25427 5 329 . 1 1 24 24 A H8 H 1 8.194 0.032 . . . . . A 24 A H8 . 25427 5 330 . 1 1 24 24 A C1' C 13 92.057 0.126 . . . . . A 24 A C1' . 25427 5 331 . 1 1 24 24 A C2 C 13 152.577 0.000 . . . . . A 24 A C2 . 25427 5 332 . 1 1 24 24 A C2' C 13 75.797 0.043 . . . . . A 24 A C2' . 25427 5 333 . 1 1 24 24 A C3' C 13 72.367 0.081 . . . . . A 24 A C3' . 25427 5 334 . 1 1 24 24 A C4' C 13 81.583 0.018 . . . . . A 24 A C4' . 25427 5 335 . 1 1 24 24 A C5' C 13 64.431 0.000 . . . . . A 24 A C5' . 25427 5 336 . 1 1 24 24 A C8 C 13 139.456 0.000 . . . . . A 24 A C8 . 25427 5 337 . 1 1 25 25 G H1' H 1 5.436 0.037 . . . . . A 25 G H1' . 25427 5 338 . 1 1 25 25 G H2' H 1 4.471 0.041 . . . . . A 25 G H2' . 25427 5 339 . 1 1 25 25 G H3' H 1 4.237 0.035 . . . . . A 25 G H3' . 25427 5 340 . 1 1 25 25 G H4' H 1 4.438 0.004 . . . . . A 25 G H4' . 25427 5 341 . 1 1 25 25 G H5" H 1 4.429 0.025 . . . . . A 25 G H5" . 25427 5 342 . 1 1 25 25 G H5' H 1 4.063 0.022 . . . . . A 25 G H5' . 25427 5 343 . 1 1 25 25 G H8 H 1 7.076 0.033 . . . . . A 25 G H8 . 25427 5 344 . 1 1 25 25 G C1' C 13 92.596 0.019 . . . . . A 25 G C1' . 25427 5 345 . 1 1 25 25 G C2' C 13 75.107 0.074 . . . . . A 25 G C2' . 25427 5 346 . 1 1 25 25 G C3' C 13 72.681 0.059 . . . . . A 25 G C3' . 25427 5 347 . 1 1 25 25 G C4' C 13 81.895 0.034 . . . . . A 25 G C4' . 25427 5 348 . 1 1 25 25 G C5' C 13 65.629 0.000 . . . . . A 25 G C5' . 25427 5 349 . 1 1 25 25 G C8 C 13 135.256 0.014 . . . . . A 25 G C8 . 25427 5 350 . 1 1 26 26 U H1' H 1 5.472 0.035 . . . . . A 26 U H1' . 25427 5 351 . 1 1 26 26 U H2' H 1 4.058 0.039 . . . . . A 26 U H2' . 25427 5 352 . 1 1 26 26 U H3' H 1 4.493 0.034 . . . . . A 26 U H3' . 25427 5 353 . 1 1 26 26 U H4' H 1 4.370 0.005 . . . . . A 26 U H4' . 25427 5 354 . 1 1 26 26 U H5 H 1 5.353 0.041 . . . . . A 26 U H5 . 25427 5 355 . 1 1 26 26 U H5" H 1 4.474 0.027 . . . . . A 26 U H5" . 25427 5 356 . 1 1 26 26 U H5' H 1 4.028 0.028 . . . . . A 26 U H5' . 25427 5 357 . 1 1 26 26 U H6 H 1 7.687 0.037 . . . . . A 26 U H6 . 25427 5 358 . 1 1 26 26 U C1' C 13 94.250 0.016 . . . . . A 26 U C1' . 25427 5 359 . 1 1 26 26 U C2' C 13 75.592 0.059 . . . . . A 26 U C2' . 25427 5 360 . 1 1 26 26 U C3' C 13 71.924 0.065 . . . . . A 26 U C3' . 25427 5 361 . 1 1 26 26 U C4' C 13 82.515 0.026 . . . . . A 26 U C4' . 25427 5 362 . 1 1 26 26 U C5 C 13 104.050 0.027 . . . . . A 26 U C5 . 25427 5 363 . 1 1 26 26 U C5' C 13 64.781 0.000 . . . . . A 26 U C5' . 25427 5 364 . 1 1 26 26 U C6 C 13 140.526 0.012 . . . . . A 26 U C6 . 25427 5 365 . 1 1 27 27 C H1' H 1 6.228 0.016 . . . . . A 27 C H1' . 25427 5 366 . 1 1 27 27 C H2' H 1 4.703 0.006 . . . . . A 27 C H2' . 25427 5 367 . 1 1 27 27 C H3' H 1 5.026 0.003 . . . . . A 27 C H3' . 25427 5 368 . 1 1 27 27 C H4' H 1 4.397 0.004 . . . . . A 27 C H4' . 25427 5 369 . 1 1 27 27 C H5 H 1 5.677 0.042 . . . . . A 27 C H5 . 25427 5 370 . 1 1 27 27 C H5" H 1 4.589 0.021 . . . . . A 27 C H5" . 25427 5 371 . 1 1 27 27 C H5' H 1 4.114 0.019 . . . . . A 27 C H5' . 25427 5 372 . 1 1 27 27 C H6 H 1 7.557 0.037 . . . . . A 27 C H6 . 25427 5 373 . 1 1 27 27 C C1' C 13 91.562 0.022 . . . . . A 27 C C1' . 25427 5 374 . 1 1 27 27 C C2' C 13 84.888 0.039 . . . . . A 27 C C2' . 25427 5 375 . 1 1 27 27 C C3' C 13 77.863 0.010 . . . . . A 27 C C3' . 25427 5 376 . 1 1 27 27 C C4' C 13 85.066 0.119 . . . . . A 27 C C4' . 25427 5 377 . 1 1 27 27 C C5 C 13 98.976 0.011 . . . . . A 27 C C5 . 25427 5 378 . 1 1 27 27 C C5' C 13 65.619 0.000 . . . . . A 27 C C5' . 25427 5 379 . 1 1 27 27 C C6 C 13 143.067 0.003 . . . . . A 27 C C6 . 25427 5 stop_ save_