data_5703 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5703 _Entry.Title ; SP phosphorothioate U6 RNA ISL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-17 _Entry.Accession_date 2003-02-18 _Entry.Last_release_date 2003-08-07 _Entry.Original_release_date 2003-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nicholas Reiter . J. . 5703 2 Samuel Butcher . E. . 5703 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5703 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 66 5703 '31P chemical shifts' 1 5703 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 . . 2003-08-07 2003-02-17 original author . 5703 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5703 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22588902 _Citation.DOI . _Citation.PubMed_ID 12702812 _Citation.Full_citation . _Citation.Title ; Structure of the U6 RNA Intramolecular Stem-loop Harboring an SP-phosphorothioate Modification ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 5 _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 533 _Citation.Page_last 542 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicholas Reiter . J. . 5703 1 2 Laura Nikstad . J. . 5703 1 3 Anne Allmann . M. . 5703 1 4 Randal Johnson . J. . 5703 1 5 Samuel Butcher . E. . 5703 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_U6_snRNA _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_U6_snRNA _Assembly.Entry_ID 5703 _Assembly.ID 1 _Assembly.Name 'U6 snRNA intramolecular stem loop' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5703 1 stop_ 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 'U6 snRNA' 1 $U6_snRNA . . . native . . . . . 5703 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1NZ1 . . . . . . 5703 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'U6 snRNA' abbreviation 5703 1 'U6 snRNA intramolecular stem loop' system 5703 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'involved in the pre-mRNA splicing reaction' 5703 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U6_snRNA _Entity.Sf_category entity _Entity.Sf_framecode U6_snRNA _Entity.Entry_ID 5703 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'U6 snRNA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGUUCCCCUGCAUAAGGAXG AACC ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'U6 snRNA' abbreviation 5703 1 'U6 snRNA' common 5703 1 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 . G . 5703 1 2 . G . 5703 1 3 . U . 5703 1 4 . U . 5703 1 5 . C . 5703 1 6 . C . 5703 1 7 . C . 5703 1 8 . C . 5703 1 9 . U . 5703 1 10 . G . 5703 1 11 . C . 5703 1 12 . A . 5703 1 13 . U . 5703 1 14 . A . 5703 1 15 . A . 5703 1 16 . G . 5703 1 17 . G . 5703 1 18 . A . 5703 1 19 . SSU . 5703 1 20 . G . 5703 1 21 . A . 5703 1 22 . A . 5703 1 23 . C . 5703 1 24 . C . 5703 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 5703 1 . G 2 2 5703 1 . U 3 3 5703 1 . U 4 4 5703 1 . C 5 5 5703 1 . C 6 6 5703 1 . C 7 7 5703 1 . C 8 8 5703 1 . U 9 9 5703 1 . G 10 10 5703 1 . C 11 11 5703 1 . A 12 12 5703 1 . U 13 13 5703 1 . A 14 14 5703 1 . A 15 15 5703 1 . G 16 16 5703 1 . G 17 17 5703 1 . A 18 18 5703 1 . SSU 19 19 5703 1 . G 20 20 5703 1 . A 21 21 5703 1 . A 22 22 5703 1 . C 23 23 5703 1 . C 24 24 5703 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5703 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $U6_snRNA . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5703 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 5703 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $U6_snRNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . ; The U80 SP phosphorothioate U6 ISL RNA was chemically synthesized and purchased from Dharmacon, Inc. HPLC reverse-phase chromatography was performed for the separation of the SP and RP phosphorothioate diastereomers. ; . . 5703 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SSU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SSU _Chem_comp.Entry_ID 5703 _Chem_comp.ID SSU _Chem_comp.Provenance . _Chem_comp.Name URIDINE-5'-PHOSPHOROTHIOATE _Chem_comp.Type 'RNA linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code SSU _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2003-04-09 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code U _Chem_comp.Three_letter_code SSU _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 U _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 'SP-SULFUR-SUBSTITUTED URIDINE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H13 N2 O8 P S' _Chem_comp.Formula_weight 340.247 _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 yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1NZ1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 11:58:02 2011 ; _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 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=S)(O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 5703 SSU C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5703 SSU InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1 InChI InChI 1.03 5703 SSU NSEBKRRODBXALJ-XVFCMESISA-N InChIKey InChI 1.03 5703 SSU O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=S)(O)O SMILES ACDLabs 10.04 5703 SSU O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=S)N2C=CC(=O)NC2=O SMILES_CANONICAL CACTVS 3.341 5703 SSU O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=S)N2C=CC(=O)NC2=O SMILES CACTVS 3.341 5703 SSU 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 1-[(2R,3R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxy-oxolan-2-yl]pyrimidine-2,4-dione 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5703 SSU 5'-O-thiophosphonouridine 'SYSTEMATIC NAME' ACDLabs 10.04 5703 SSU 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 O2' . O2' . . O . . N 0 . . . . no no . . . . -2.068 . -3.875 . -14.864 . 0.137 -0.058 2.041 1 . 5703 SSU C2' . C2' . . C . . R 0 . . . . no no . . . . -2.623 . -3.836 . -13.545 . 0.748 0.163 0.786 2 . 5703 SSU C1' . C1' . . C . . R 0 . . . . no no . . . . -2.568 . -2.425 . -12.958 . 1.373 1.543 0.675 3 . 5703 SSU O4' . O4' . . O . . N 0 . . . . no no . . . . -3.898 . -1.884 . -13.034 . 2.470 1.422 -0.246 4 . 5703 SSU C4' . C4' . . C . . R 0 . . . . no no . . . . -4.743 . -2.785 . -13.748 . 2.725 0.023 -0.498 5 . 5703 SSU C5' . C5' . . C . . N 0 . . . . no no . . . . -6.170 . -2.758 . -13.209 . 2.282 -0.292 -1.921 6 . 5703 SSU O5' . O5' . . O . . N 0 . . . . no no . . . . -6.201 . -2.919 . -11.788 . 3.063 0.476 -2.819 7 . 5703 SSU P . P . . P . . N 0 . . . . no no . . . . -7.477 . -2.424 . -10.939 . 2.812 0.347 -4.417 8 . 5703 SSU S1P . S1P . . S . . N 0 . . . . no no . . . . -9.119 . -2.439 . -12.265 . 1.133 1.036 -5.105 9 . 5703 SSU OP2 . OP2 . . O . . N 0 . . . . no no . . . . -7.467 . -3.134 . -9.641 . 3.104 -1.222 -4.708 10 . 5703 SSU OP3 . OP3 . . O . . N 0 . . . . no yes . . . . . . . . . . 4.136 1.046 -5.041 11 . 5703 SSU C3' . C3' . . C . . S 0 . . . . no no . . . . -4.109 . -4.150 . -13.556 . 1.940 -0.742 0.560 12 . 5703 SSU O3' . O3' . . O . . N 0 . . . . no no . . . . -4.392 . -4.958 . -14.704 . 2.742 -0.809 1.739 13 . 5703 SSU N1 . N1 . . N . . N 0 . . . . no no . . . . -2.082 . -2.466 . -11.566 . 0.452 2.524 0.177 14 . 5703 SSU C6 . C6 . . C . . N 0 . . . . no no . . . . -2.941 . -2.668 . -10.520 . 0.308 2.664 -1.199 15 . 5703 SSU C5 . C5 . . C . . N 0 . . . . no no . . . . -2.491 . -2.729 . -9.242 . -0.516 3.539 -1.779 16 . 5703 SSU C4 . C4 . . C . . N 0 . . . . no no . . . . -1.085 . -2.578 . -8.941 . -1.338 4.427 -0.933 17 . 5703 SSU O4 . O4 . . O . . N 0 . . . . no no . . . . -0.591 . -2.621 . -7.817 . -2.105 5.242 -1.435 18 . 5703 SSU N3 . N3 . . N . . N 0 . . . . no no . . . . -0.290 . -2.378 . -10.056 . -1.161 4.252 0.431 19 . 5703 SSU C2 . C2 . . C . . N 0 . . . . no no . . . . -0.724 . -2.312 . -11.367 . -0.301 3.338 1.055 20 . 5703 SSU O2 . O2 . . O . . N 0 . . . . no no . . . . 0.055 . -2.128 . -12.299 . -0.226 3.271 2.284 21 . 5703 SSU HO2' . HO2' . . H . . N 0 . . . . no no . . . . -1.583 . -3.057 . -14.993 . -0.494 0.669 2.185 22 . 5703 SSU H2' . H2' . . H . . N 0 . . . . no no . . . . -2.106 . -4.531 . -12.884 . -0.000 0.004 -0.000 23 . 5703 SSU H1' . H1' . . H . . N 0 . . . . no no . . . . -1.895 . -1.813 . -13.557 . 1.754 1.910 1.633 24 . 5703 SSU H4' . H4' . . H . . N 0 . . . . no no . . . . -4.742 . -2.521 . -14.804 . 3.804 -0.139 -0.410 25 . 5703 SSU H5' . H5' . . H . . N 0 . . . . no no . . . . -6.630 . -1.805 . -13.470 . 1.229 -0.035 -2.051 26 . 5703 SSU H5'' . H5'' . . H . . N 0 . . . . no no . . . . -6.738 . -3.565 . -13.671 . 2.428 -1.352 -2.133 27 . 5703 SSU H2P . H2P . . H . . N 0 . . . . no no . . . . -8.219 . -2.842 . -9.140 . 3.952 -1.609 -4.402 28 . 5703 SSU H3P . H3P . . H . . N 0 . . . . no no . . . . -0.752 . 0.292 . 0.500 . 4.167 1.222 -6.006 29 . 5703 SSU H3' . H3' . . H . . N 0 . . . . no no . . . . -4.433 . -4.622 . -12.630 . 1.675 -1.764 0.277 30 . 5703 SSU HO3' . HO3' . . H . . N 0 . . . . no yes . . . . -5.321 . -5.154 . -14.710 . 3.447 -0.153 1.628 31 . 5703 SSU H6 . H6 . . H . . N 0 . . . . no no . . . . -4.006 . -2.784 . -10.719 . 0.921 2.002 -1.802 32 . 5703 SSU H5 . H5 . . H . . N 0 . . . . no no . . . . -3.199 . -2.895 . -8.430 . -0.601 3.619 -2.856 33 . 5703 SSU H3 . H3 . . H . . N 0 . . . . no no . . . . 0.701 . -2.269 . -9.897 . -1.712 4.848 1.042 34 . 5703 SSU 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 O2' C2' no N 1 . 5703 SSU 2 . SING O2' HO2' no N 2 . 5703 SSU 3 . SING C2' C1' no N 3 . 5703 SSU 4 . SING C2' C3' no N 4 . 5703 SSU 5 . SING C2' H2' no N 5 . 5703 SSU 6 . SING C1' O4' no N 6 . 5703 SSU 7 . SING C1' N1 no N 7 . 5703 SSU 8 . SING C1' H1' no N 8 . 5703 SSU 9 . SING O4' C4' no N 9 . 5703 SSU 10 . SING C4' C5' no N 10 . 5703 SSU 11 . SING C4' C3' no N 11 . 5703 SSU 12 . SING C4' H4' no N 12 . 5703 SSU 13 . SING C5' O5' no N 13 . 5703 SSU 14 . SING C5' H5' no N 14 . 5703 SSU 15 . SING C5' H5'' no N 15 . 5703 SSU 16 . SING O5' P no N 16 . 5703 SSU 17 . DOUB P S1P no N 17 . 5703 SSU 18 . SING P OP2 no N 18 . 5703 SSU 19 . SING P OP3 no N 19 . 5703 SSU 20 . SING OP2 H2P no N 20 . 5703 SSU 21 . SING OP3 H3P no N 21 . 5703 SSU 22 . SING C3' O3' no N 22 . 5703 SSU 23 . SING C3' H3' no N 23 . 5703 SSU 24 . SING O3' HO3' no N 24 . 5703 SSU 25 . SING N1 C6 no N 25 . 5703 SSU 26 . SING N1 C2 no N 26 . 5703 SSU 27 . DOUB C6 C5 no N 27 . 5703 SSU 28 . SING C6 H6 no N 28 . 5703 SSU 29 . SING C5 C4 no N 29 . 5703 SSU 30 . SING C5 H5 no N 30 . 5703 SSU 31 . DOUB C4 O4 no N 31 . 5703 SSU 32 . SING C4 N3 no N 32 . 5703 SSU 33 . SING N3 C2 no N 33 . 5703 SSU 34 . SING N3 H3 no N 34 . 5703 SSU 35 . DOUB C2 O2 no N 35 . 5703 SSU stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5703 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'U6 snRNA' . . . 1 $U6_snRNA . . 1 0.8 1.2 mM . . . . 5703 1 2 NaCl . . . . . . . 50 . . mM . . . . 5703 1 3 H2O . . . . . . . 90 . . % . . . . 5703 1 4 D2O . . . . . . . 10 . . % . . . . 5703 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5703 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'U6 snRNA' . . . 1 $U6_snRNA . . 1 0.8 1.2 mM . . . . 5703 2 2 NaCl . . . . . . . 50 . . mM . . . . 5703 2 3 D2O . . . . . . . 100 . . % . . . . 5703 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5703 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'U6 snRNA' . . . 1 $U6_snRNA . . 1 0.8 0.9 mM . . . . 5703 3 2 NaCl . . . . . . . 50 . . mM . . . . 5703 3 3 D2O . . . . . . . 100 . . % . . . . 5703 3 4 'Pf1 phage' . . . . . . . 17 . . mg/mL . . . . 5703 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5703 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.01 M 5703 1 pH 7.0 0.1 pH 5703 1 temperature 283 0.5 K 5703 1 stop_ save_ save_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_2 _Sample_condition_list.Entry_ID 5703 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.01 M 5703 2 pH 7.0 0.1 pH 5703 2 temperature 303 0.5 K 5703 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5703 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details 'Goddard, T. D.' save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5703 _Software.ID 2 _Software.Name SPARKY _Software.Version 2.6 _Software.Details 'Kneller, D. G.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5703 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5703 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5703 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5703 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5703 _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 NMR_spectrometer_1 Bruker DMX . 750 . . . 5703 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5703 1 3 NMR_spectrometer_3 Bruker DMX . 500 . . . 5703 1 4 NMR_spectrometer_4 Bruker DMX . 400 . . . 5703 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 5703 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5703 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; 0.1 mM 3-(Trimethylsilyl)-1-propane sulfonic aicd (TSP) serves as an internal reference for protons and indirectly referenced for carbon and phosphorus using a chemical shift ratio. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 . . 0.251449530 . indirect . 1 $entry_citation . . 1 $entry_citation 5703 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal indirect 1.0 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5703 1 N 15 TSP 'methyl protons' . . . . ppm 0 . . 0.101329118 . indirect . 1 $entry_citation . . 1 $entry_citation 5703 1 P 31 DSS 'methyl protons' . . . . ppm 0 external indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 5703 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5703 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5703 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 12.852 0.014 . 1 . . . . . . . . 5703 1 2 . 1 1 1 1 G H8 H 1 8.089 0.001 . 1 . . . . . . . . 5703 1 3 . 1 1 1 1 G C8 C 13 138.1 0.020 . 1 . . . . . . . . 5703 1 4 . 1 1 1 1 G H1' H 1 5.824 0.001 . 1 . . . . . . . . 5703 1 5 . 1 1 1 1 G H2' H 1 4.967 0.013 . 1 . . . . . . . . 5703 1 6 . 1 1 1 1 G H3' H 1 4.750 0.001 . 1 . . . . . . . . 5703 1 7 . 1 1 1 1 G H4' H 1 4.53 0.001 . 1 . . . . . . . . 5703 1 8 . 1 1 1 1 G C1' C 13 91.62 0.022 . 1 . . . . . . . . 5703 1 9 . 1 1 2 2 G H1 H 1 13.45 0.010 . 1 . . . . . . . . 5703 1 10 . 1 1 2 2 G H21 H 1 8.59 0.009 . 1 . . . . . . . . 5703 1 11 . 1 1 2 2 G H22 H 1 6.19 0.009 . 1 . . . . . . . . 5703 1 12 . 1 1 2 2 G H8 H 1 7.540 0.001 . 1 . . . . . . . . 5703 1 13 . 1 1 2 2 G C8 C 13 136.3 0.020 . 1 . . . . . . . . 5703 1 14 . 1 1 2 2 G H1' H 1 5.905 0.001 . 1 . . . . . . . . 5703 1 15 . 1 1 2 2 G H2' H 1 4.560 0.001 . 1 . . . . . . . . 5703 1 16 . 1 1 2 2 G H3' H 1 5.540 0.005 . 1 . . . . . . . . 5703 1 17 . 1 1 2 2 G H4' H 1 4.560 0.004 . 1 . . . . . . . . 5703 1 18 . 1 1 2 2 G H5' H 1 4.510 0.007 . 1 . . . . . . . . 5703 1 19 . 1 1 2 2 G H5'' H 1 4.230 0.005 . 1 . . . . . . . . 5703 1 20 . 1 1 2 2 G C1' C 13 92.20 0.030 . 1 . . . . . . . . 5703 1 21 . 1 1 3 3 U H3 H 1 14.43 0.015 . 1 . . . . . . . . 5703 1 22 . 1 1 3 3 U H5 H 1 5.130 0.001 . 1 . . . . . . . . 5703 1 23 . 1 1 3 3 U H6 H 1 7.808 0.001 . 1 . . . . . . . . 5703 1 24 . 1 1 3 3 U C5 C 13 102.1 0.040 . 1 . . . . . . . . 5703 1 25 . 1 1 3 3 U C6 C 13 140.8 0.030 . 1 . . . . . . . . 5703 1 26 . 1 1 3 3 U H1' H 1 5.955 0.001 . 1 . . . . . . . . 5703 1 27 . 1 1 3 3 U H2' H 1 4.502 0.001 . 1 . . . . . . . . 5703 1 28 . 1 1 3 3 U H3' H 1 4.540 0.020 . 1 . . . . . . . . 5703 1 29 . 1 1 3 3 U H4' H 1 4.450 0.005 . 1 . . . . . . . . 5703 1 30 . 1 1 3 3 U H5' H 1 4.59 0.004 . 1 . . . . . . . . 5703 1 31 . 1 1 3 3 U H5'' H 1 4.15 0.015 . 1 . . . . . . . . 5703 1 32 . 1 1 3 3 U C1' C 13 93.00 0.050 . 1 . . . . . . . . 5703 1 33 . 1 1 4 4 U H3 H 1 13.79 0.010 . 1 . . . . . . . . 5703 1 34 . 1 1 4 4 U H5 H 1 5.63 0.001 . 1 . . . . . . . . 5703 1 35 . 1 1 4 4 U H6 H 1 8.03 0.001 . 1 . . . . . . . . 5703 1 36 . 1 1 4 4 U C5 C 13 102.60 0.020 . 1 . . . . . . . . 5703 1 37 . 1 1 4 4 U C6 C 13 141.61 0.030 . 1 . . . . . . . . 5703 1 38 . 1 1 4 4 U H1' H 1 5.682 0.001 . 1 . . . . . . . . 5703 1 39 . 1 1 4 4 U H2' H 1 4.531 0.001 . 1 . . . . . . . . 5703 1 40 . 1 1 4 4 U H3' H 1 4.526 0.001 . 1 . . . . . . . . 5703 1 41 . 1 1 4 4 U H4' H 1 4.507 0.001 . 1 . . . . . . . . 5703 1 42 . 1 1 4 4 U H5' H 1 4.554 0.003 . 1 . . . . . . . . 5703 1 43 . 1 1 4 4 U H5'' H 1 4.141 0.003 . 1 . . . . . . . . 5703 1 44 . 1 1 4 4 U C1' C 13 92.97 0.020 . 1 . . . . . . . . 5703 1 45 . 1 1 5 5 C H41 H 1 8.44 0.010 . 1 . . . . . . . . 5703 1 46 . 1 1 5 5 C H42 H 1 7.13 0.010 . 1 . . . . . . . . 5703 1 47 . 1 1 5 5 C H5 H 1 5.658 0.005 . 1 . . . . . . . . 5703 1 48 . 1 1 5 5 C H6 H 1 7.746 0.003 . 1 . . . . . . . . 5703 1 49 . 1 1 5 5 C C5 C 13 97.20 0.020 . 1 . . . . . . . . 5703 1 50 . 1 1 5 5 C C6 C 13 140.92 0.020 . 1 . . . . . . . . 5703 1 51 . 1 1 5 5 C H1' H 1 5.467 0.001 . 1 . . . . . . . . 5703 1 52 . 1 1 5 5 C H2' H 1 4.411 0.010 . 1 . . . . . . . . 5703 1 53 . 1 1 5 5 C H3' H 1 4.47 0.001 . 1 . . . . . . . . 5703 1 54 . 1 1 5 5 C H4' H 1 4.46 0.001 . 1 . . . . . . . . 5703 1 55 . 1 1 5 5 C H5' H 1 4.55 0.015 . 1 . . . . . . . . 5703 1 56 . 1 1 5 5 C H5'' H 1 4.12 0.010 . 1 . . . . . . . . 5703 1 57 . 1 1 5 5 C C1' C 13 93.26 0.030 . 1 . . . . . . . . 5703 1 58 . 1 1 6 6 C H5 H 1 5.784 0.005 . 1 . . . . . . . . 5703 1 59 . 1 1 6 6 C H6 H 1 7.987 0.004 . 1 . . . . . . . . 5703 1 60 . 1 1 6 6 C C5 C 13 96.87 0.020 . 1 . . . . . . . . 5703 1 61 . 1 1 6 6 C C6 C 13 141.61 0.020 . 1 . . . . . . . . 5703 1 62 . 1 1 6 6 C H1' H 1 5.545 0.003 . 1 . . . . . . . . 5703 1 63 . 1 1 6 6 C H2' H 1 4.023 0.003 . 1 . . . . . . . . 5703 1 64 . 1 1 6 6 C H3' H 1 4.58 0.003 . 1 . . . . . . . . 5703 1 65 . 1 1 6 6 C H4' H 1 4.34 0.001 . 1 . . . . . . . . 5703 1 66 . 1 1 6 6 C H5' H 1 4.55 0.003 . 1 . . . . . . . . 5703 1 67 . 1 1 6 6 C C1' C 13 93.13 0.030 . 1 . . . . . . . . 5703 1 68 . 1 1 7 7 C H41 H 1 8.45 0.010 . 1 . . . . . . . . 5703 1 69 . 1 1 7 7 C H42 H 1 7.16 0.010 . 1 . . . . . . . . 5703 1 70 . 1 1 7 7 C H5 H 1 5.647 0.003 . 1 . . . . . . . . 5703 1 71 . 1 1 7 7 C H6 H 1 7.929 0.001 . 1 . . . . . . . . 5703 1 72 . 1 1 7 7 C C5 C 13 96.80 0.030 . 1 . . . . . . . . 5703 1 73 . 1 1 7 7 C C6 C 13 140.91 0.020 . 1 . . . . . . . . 5703 1 74 . 1 1 7 7 C H1' H 1 5.468 0.002 . 1 . . . . . . . . 5703 1 75 . 1 1 7 7 C H2' H 1 4.214 0.001 . 1 . . . . . . . . 5703 1 76 . 1 1 7 7 C H3' H 1 4.480 0.002 . 1 . . . . . . . . 5703 1 77 . 1 1 7 7 C H4' H 1 4.392 0.005 . 1 . . . . . . . . 5703 1 78 . 1 1 7 7 C H5' H 1 4.450 0.003 . 1 . . . . . . . . 5703 1 79 . 1 1 7 7 C C1' C 13 93.03 0.040 . 1 . . . . . . . . 5703 1 80 . 1 1 8 8 C H41 H 1 8.40 0.010 . 1 . . . . . . . . 5703 1 81 . 1 1 8 8 C H42 H 1 6.98 0.010 . 1 . . . . . . . . 5703 1 82 . 1 1 8 8 C H5 H 1 5.468 0.003 . 1 . . . . . . . . 5703 1 83 . 1 1 8 8 C H6 H 1 7.738 0.002 . 1 . . . . . . . . 5703 1 84 . 1 1 8 8 C C5 C 13 97.18 0.020 . 1 . . . . . . . . 5703 1 85 . 1 1 8 8 C C6 C 13 140.74 0.020 . 1 . . . . . . . . 5703 1 86 . 1 1 8 8 C H1' H 1 5.385 0.003 . 1 . . . . . . . . 5703 1 87 . 1 1 8 8 C H2' H 1 4.244 0.002 . 1 . . . . . . . . 5703 1 88 . 1 1 8 8 C H3' H 1 4.315 0.005 . 1 . . . . . . . . 5703 1 89 . 1 1 8 8 C H4' H 1 4.350 0.007 . 1 . . . . . . . . 5703 1 90 . 1 1 8 8 C H5' H 1 4.480 0.003 . 1 . . . . . . . . 5703 1 91 . 1 1 8 8 C H5'' H 1 4.0 0.010 . 1 . . . . . . . . 5703 1 92 . 1 1 8 8 C C1' C 13 93.3 0.020 . 1 . . . . . . . . 5703 1 93 . 1 1 9 9 U H5 H 1 5.213 0.003 . 1 . . . . . . . . 5703 1 94 . 1 1 9 9 U H6 H 1 7.596 0.004 . 1 . . . . . . . . 5703 1 95 . 1 1 9 9 U C5 C 13 103.30 0.020 . 1 . . . . . . . . 5703 1 96 . 1 1 9 9 U C6 C 13 140.183 0.020 . 1 . . . . . . . . 5703 1 97 . 1 1 9 9 U H1' H 1 5.605 0.003 . 1 . . . . . . . . 5703 1 98 . 1 1 9 9 U H2' H 1 4.45 0.004 . 1 . . . . . . . . 5703 1 99 . 1 1 9 9 U H3' H 1 4.350 0.004 . 1 . . . . . . . . 5703 1 100 . 1 1 9 9 U H4' H 1 4.45 0.005 . 1 . . . . . . . . 5703 1 101 . 1 1 9 9 U H5' H 1 4.490 0.005 . 1 . . . . . . . . 5703 1 102 . 1 1 9 9 U C1' C 13 92.78 0.020 . 1 . . . . . . . . 5703 1 103 . 1 1 10 10 G H1 H 1 10.88 0.010 . 1 . . . . . . . . 5703 1 104 . 1 1 10 10 G H21 H 1 8.16 0.004 . 1 . . . . . . . . 5703 1 105 . 1 1 10 10 G H22 H 1 7.13 0.005 . 1 . . . . . . . . 5703 1 106 . 1 1 10 10 G H8 H 1 7.735 0.007 . 1 . . . . . . . . 5703 1 107 . 1 1 10 10 G C8 C 13 136.33 0.020 . 1 . . . . . . . . 5703 1 108 . 1 1 10 10 G H1' H 1 5.603 0.003 . 1 . . . . . . . . 5703 1 109 . 1 1 10 10 G H2' H 1 4.471 0.002 . 1 . . . . . . . . 5703 1 110 . 1 1 10 10 G H3' H 1 4.528 0.003 . 1 . . . . . . . . 5703 1 111 . 1 1 10 10 G H4' H 1 4.379 0.005 . 1 . . . . . . . . 5703 1 112 . 1 1 10 10 G H5' H 1 4.331 0.007 . 1 . . . . . . . . 5703 1 113 . 1 1 10 10 G C1' C 13 91.53 0.020 . 1 . . . . . . . . 5703 1 114 . 1 1 11 11 C H5 H 1 5.585 0.001 . 1 . . . . . . . . 5703 1 115 . 1 1 11 11 C H6 H 1 7.52 0.003 . 1 . . . . . . . . 5703 1 116 . 1 1 11 11 C C5 C 13 97.46 0.005 . 1 . . . . . . . . 5703 1 117 . 1 1 11 11 C C6 C 13 141.81 0.007 . 1 . . . . . . . . 5703 1 118 . 1 1 11 11 C H1' H 1 5.322 0.005 . 1 . . . . . . . . 5703 1 119 . 1 1 11 11 C H2' H 1 3.936 0.003 . 1 . . . . . . . . 5703 1 120 . 1 1 11 11 C H3' H 1 4.25 0.004 . 1 . . . . . . . . 5703 1 121 . 1 1 11 11 C H4' H 1 3.87 0.006 . 1 . . . . . . . . 5703 1 122 . 1 1 11 11 C H5' H 1 4.05 0.005 . 1 . . . . . . . . 5703 1 123 . 1 1 11 11 C C1' C 13 91.423 0.020 . 1 . . . . . . . . 5703 1 124 . 1 1 12 12 A H2 H 1 7.99 0.004 . 1 . . . . . . . . 5703 1 125 . 1 1 12 12 A H61 H 1 7.91 0.010 . 1 . . . . . . . . 5703 1 126 . 1 1 12 12 A H62 H 1 6.63 0.010 . 1 . . . . . . . . 5703 1 127 . 1 1 12 12 A H8 H 1 8.161 0.011 . 1 . . . . . . . . 5703 1 128 . 1 1 12 12 A C2 C 13 154.37 0.040 . 1 . . . . . . . . 5703 1 129 . 1 1 12 12 A C8 C 13 141.20 0.020 . 1 . . . . . . . . 5703 1 130 . 1 1 12 12 A H1' H 1 5.922 0.006 . 1 . . . . . . . . 5703 1 131 . 1 1 12 12 A H2' H 1 4.637 0.004 . 1 . . . . . . . . 5703 1 132 . 1 1 12 12 A H3' H 1 4.701 0.004 . 1 . . . . . . . . 5703 1 133 . 1 1 12 12 A H4' H 1 4.40 0.003 . 1 . . . . . . . . 5703 1 134 . 1 1 12 12 A H5' H 1 4.070 0.006 . 1 . . . . . . . . 5703 1 135 . 1 1 12 12 A C1' C 13 88.85 0.020 . 1 . . . . . . . . 5703 1 136 . 1 1 13 13 U H5 H 1 5.84 0.005 . 1 . . . . . . . . 5703 1 137 . 1 1 13 13 U H6 H 1 7.788 0.003 . 1 . . . . . . . . 5703 1 138 . 1 1 13 13 U C5 C 13 104.52 0.020 . 1 . . . . . . . . 5703 1 139 . 1 1 13 13 U C6 C 13 143.062 0.020 . 1 . . . . . . . . 5703 1 140 . 1 1 13 13 U H1' H 1 5.904 0.004 . 1 . . . . . . . . 5703 1 141 . 1 1 13 13 U H2' H 1 4.43 0.002 . 1 . . . . . . . . 5703 1 142 . 1 1 13 13 U H3' H 1 4.70 0.005 . 1 . . . . . . . . 5703 1 143 . 1 1 13 13 U H4' H 1 4.45 0.003 . 1 . . . . . . . . 5703 1 144 . 1 1 13 13 U H5' H 1 4.221 0.006 . 1 . . . . . . . . 5703 1 145 . 1 1 13 13 U C1' C 13 90.10 0.020 . 1 . . . . . . . . 5703 1 146 . 1 1 14 14 A H2 H 1 8.076 0.005 . 1 . . . . . . . . 5703 1 147 . 1 1 14 14 A H61 H 1 8.44 0.004 . 1 . . . . . . . . 5703 1 148 . 1 1 14 14 A H62 H 1 6.84 0.003 . 1 . . . . . . . . 5703 1 149 . 1 1 14 14 A H8 H 1 7.99 0.002 . 1 . . . . . . . . 5703 1 150 . 1 1 14 14 A C2 C 13 154.50 0.020 . 1 . . . . . . . . 5703 1 151 . 1 1 14 14 A C8 C 13 139.50 0.020 . 1 . . . . . . . . 5703 1 152 . 1 1 14 14 A H1' H 1 5.884 0.003 . 1 . . . . . . . . 5703 1 153 . 1 1 14 14 A H2' H 1 4.884 0.005 . 1 . . . . . . . . 5703 1 154 . 1 1 14 14 A H3' H 1 4.590 0.004 . 1 . . . . . . . . 5703 1 155 . 1 1 14 14 A H4' H 1 4.620 0.004 . 1 . . . . . . . . 5703 1 156 . 1 1 14 14 A H5' H 1 4.360 0.005 . 1 . . . . . . . . 5703 1 157 . 1 1 14 14 A C1' C 13 90.47 0.004 . 1 . . . . . . . . 5703 1 158 . 1 1 15 15 A H2 H 1 7.59 0.002 . 1 . . . . . . . . 5703 1 159 . 1 1 15 15 A H61 H 1 7.76 0.004 . 1 . . . . . . . . 5703 1 160 . 1 1 15 15 A H62 H 1 6.63 0.007 . 1 . . . . . . . . 5703 1 161 . 1 1 15 15 A H8 H 1 7.97 0.005 . 1 . . . . . . . . 5703 1 162 . 1 1 15 15 A C2 C 13 152.56 0.020 . 1 . . . . . . . . 5703 1 163 . 1 1 15 15 A C8 C 13 140.65 0.020 . 1 . . . . . . . . 5703 1 164 . 1 1 15 15 A H1' H 1 5.323 0.003 . 1 . . . . . . . . 5703 1 165 . 1 1 15 15 A H2' H 1 4.646 0.004 . 1 . . . . . . . . 5703 1 166 . 1 1 15 15 A H3' H 1 4.475 0.003 . 1 . . . . . . . . 5703 1 167 . 1 1 15 15 A H4' H 1 4.471 0.002 . 1 . . . . . . . . 5703 1 168 . 1 1 15 15 A H5' H 1 4.371 0.004 . 1 . . . . . . . . 5703 1 169 . 1 1 15 15 A C1' C 13 91.65 0.020 . 1 . . . . . . . . 5703 1 170 . 1 1 16 16 G H1 H 1 12.75 0.010 . 1 . . . . . . . . 5703 1 171 . 1 1 16 16 G H21 H 1 8.2 0.010 . 1 . . . . . . . . 5703 1 172 . 1 1 16 16 G H22 H 1 5.94 0.009 . 1 . . . . . . . . 5703 1 173 . 1 1 16 16 G H8 H 1 7.10 0.005 . 1 . . . . . . . . 5703 1 174 . 1 1 16 16 G C8 C 13 135.21 0.030 . 1 . . . . . . . . 5703 1 175 . 1 1 16 16 G H1' H 1 5.597 0.004 . 1 . . . . . . . . 5703 1 176 . 1 1 16 16 G H2' H 1 4.582 0.006 . 1 . . . . . . . . 5703 1 177 . 1 1 16 16 G H3' H 1 4.506 0.003 . 1 . . . . . . . . 5703 1 178 . 1 1 16 16 G H4' H 1 4.400 0.013 . 1 . . . . . . . . 5703 1 179 . 1 1 16 16 G H5' H 1 4.367 0.008 . 1 . . . . . . . . 5703 1 180 . 1 1 16 16 G C1' C 13 92.00 0.040 . 1 . . . . . . . . 5703 1 181 . 1 1 17 17 G H1 H 1 12.67 0.010 . 1 . . . . . . . . 5703 1 182 . 1 1 17 17 G H21 H 1 8.44 0.010 . 1 . . . . . . . . 5703 1 183 . 1 1 17 17 G H22 H 1 6.7 0.010 . 1 . . . . . . . . 5703 1 184 . 1 1 17 17 G H8 H 1 7.151 0.009 . 1 . . . . . . . . 5703 1 185 . 1 1 17 17 G C8 C 13 135.65 0.030 . 1 . . . . . . . . 5703 1 186 . 1 1 17 17 G H1' H 1 5.717 0.003 . 1 . . . . . . . . 5703 1 187 . 1 1 17 17 G H2' H 1 4.480 0.005 . 1 . . . . . . . . 5703 1 188 . 1 1 17 17 G H3' H 1 4.512 0.003 . 1 . . . . . . . . 5703 1 189 . 1 1 17 17 G H4' H 1 4.110 0.004 . 1 . . . . . . . . 5703 1 190 . 1 1 17 17 G H5' H 1 4.480 0.006 . 1 . . . . . . . . 5703 1 191 . 1 1 17 17 G C1' C 13 92.04 0.020 . 1 . . . . . . . . 5703 1 192 . 1 1 18 18 A H2 H 1 7.796 0.007 . 1 . . . . . . . . 5703 1 193 . 1 1 18 18 A H8 H 1 7.934 0.005 . 1 . . . . . . . . 5703 1 194 . 1 1 18 18 A C2 C 13 153.25 0.030 . 1 . . . . . . . . 5703 1 195 . 1 1 18 18 A C8 C 13 139.4 0.020 . 1 . . . . . . . . 5703 1 196 . 1 1 18 18 A H1' H 1 6.050 0.005 . 1 . . . . . . . . 5703 1 197 . 1 1 18 18 A H2' H 1 4.519 0.003 . 1 . . . . . . . . 5703 1 198 . 1 1 18 18 A H3' H 1 4.839 0.001 . 1 . . . . . . . . 5703 1 199 . 1 1 18 18 A H4' H 1 4.470 0.003 . 1 . . . . . . . . 5703 1 200 . 1 1 18 18 A H5' H 1 4.402 0.004 . 1 . . . . . . . . 5703 1 201 . 1 1 18 18 A C1' C 13 90.96 0.030 . 1 . . . . . . . . 5703 1 202 . 1 1 19 19 SSU H5 H 1 5.639 0.003 . 1 . . . . . . . . 5703 1 203 . 1 1 19 19 SSU H6 H 1 7.781 0.002 . 1 . . . . . . . . 5703 1 204 . 1 1 19 19 SSU C5 C 13 102.9 0.030 . 1 . . . . . . . . 5703 1 205 . 1 1 19 19 SSU C6 C 13 140.80 0.020 . 1 . . . . . . . . 5703 1 206 . 1 1 19 19 SSU H1' H 1 5.639 0.003 . 1 . . . . . . . . 5703 1 207 . 1 1 19 19 SSU H2' H 1 4.302 0.006 . 1 . . . . . . . . 5703 1 208 . 1 1 19 19 SSU H3' H 1 4.39 0.005 . 1 . . . . . . . . 5703 1 209 . 1 1 19 19 SSU H4' H 1 4.35 0.008 . 1 . . . . . . . . 5703 1 210 . 1 1 19 19 SSU C1' C 13 91.81 0.030 . 1 . . . . . . . . 5703 1 211 . 1 1 19 19 SSU P P 31 59.15 0.020 . 1 . . . . . . . . 5703 1 212 . 1 1 20 20 G H1 H 1 12.53 0.010 . 1 . . . . . . . . 5703 1 213 . 1 1 20 20 G H21 H 1 7.913 0.012 . 1 . . . . . . . . 5703 1 214 . 1 1 20 20 G H22 H 1 5.927 0.008 . 1 . . . . . . . . 5703 1 215 . 1 1 20 20 G H8 H 1 7.555 0.007 . 1 . . . . . . . . 5703 1 216 . 1 1 20 20 G C8 C 13 136.55 0.030 . 1 . . . . . . . . 5703 1 217 . 1 1 20 20 G H1' H 1 5.719 0.006 . 1 . . . . . . . . 5703 1 218 . 1 1 20 20 G H2' H 1 4.77 0.003 . 1 . . . . . . . . 5703 1 219 . 1 1 20 20 G H3' H 1 4.609 0.005 . 1 . . . . . . . . 5703 1 220 . 1 1 20 20 G H4' H 1 4.451 0.010 . 1 . . . . . . . . 5703 1 221 . 1 1 20 20 G C1' C 13 90.17 0.020 . 1 . . . . . . . . 5703 1 222 . 1 1 21 21 A H2 H 1 7.147 0.005 . 1 . . . . . . . . 5703 1 223 . 1 1 21 21 A H61 H 1 8.06 0.001 . 1 . . . . . . . . 5703 1 224 . 1 1 21 21 A H62 H 1 6.58 0.003 . 1 . . . . . . . . 5703 1 225 . 1 1 21 21 A H8 H 1 7.858 0.002 . 1 . . . . . . . . 5703 1 226 . 1 1 21 21 A C2 C 13 153.17 0.030 . 1 . . . . . . . . 5703 1 227 . 1 1 21 21 A C8 C 13 139.4 0.025 . 1 . . . . . . . . 5703 1 228 . 1 1 21 21 A H1' H 1 5.943 0.002 . 1 . . . . . . . . 5703 1 229 . 1 1 21 21 A H2' H 1 4.640 0.003 . 1 . . . . . . . . 5703 1 230 . 1 1 21 21 A H3' H 1 4.596 0.005 . 1 . . . . . . . . 5703 1 231 . 1 1 21 21 A H4' H 1 5.29 0.003 . 1 . . . . . . . . 5703 1 232 . 1 1 21 21 A H5' H 1 4.480 0.007 . 1 . . . . . . . . 5703 1 233 . 1 1 21 21 A H5'' H 1 4.315 0.006 . 1 . . . . . . . . 5703 1 234 . 1 1 21 21 A C1' C 13 92.30 0.030 . 1 . . . . . . . . 5703 1 235 . 1 1 22 22 A H2 H 1 7.806 0.004 . 1 . . . . . . . . 5703 1 236 . 1 1 22 22 A H61 H 1 8.31 0.010 . 1 . . . . . . . . 5703 1 237 . 1 1 22 22 A H62 H 1 6.73 0.010 . 1 . . . . . . . . 5703 1 238 . 1 1 22 22 A H8 H 1 7.815 0.003 . 1 . . . . . . . . 5703 1 239 . 1 1 22 22 A C2 C 13 153.20 0.050 . 1 . . . . . . . . 5703 1 240 . 1 1 22 22 A C8 C 13 138.3 0.050 . 1 . . . . . . . . 5703 1 241 . 1 1 22 22 A H1' H 1 5.943 0.003 . 1 . . . . . . . . 5703 1 242 . 1 1 22 22 A H2' H 1 4.501 0.006 . 1 . . . . . . . . 5703 1 243 . 1 1 22 22 A H3' H 1 4.603 0.005 . 1 . . . . . . . . 5703 1 244 . 1 1 22 22 A H4' H 1 4.599 0.004 . 1 . . . . . . . . 5703 1 245 . 1 1 22 22 A H5' H 1 4.602 0.007 . 1 . . . . . . . . 5703 1 246 . 1 1 22 22 A H5'' H 1 4.135 0.004 . 1 . . . . . . . . 5703 1 247 . 1 1 22 22 A C1' C 13 92.20 0.020 . 1 . . . . . . . . 5703 1 248 . 1 1 23 23 C H41 H 1 8.39 0.010 . 1 . . . . . . . . 5703 1 249 . 1 1 23 23 C H42 H 1 7.05 0.012 . 1 . . . . . . . . 5703 1 250 . 1 1 23 23 C H5 H 1 5.165 0.004 . 1 . . . . . . . . 5703 1 251 . 1 1 23 23 C H6 H 1 7.436 0.006 . 1 . . . . . . . . 5703 1 252 . 1 1 23 23 C C5 C 13 96.30 0.030 . 1 . . . . . . . . 5703 1 253 . 1 1 23 23 C C6 C 13 139.93 0.040 . 1 . . . . . . . . 5703 1 254 . 1 1 23 23 C H1' H 1 5.385 0.004 . 1 . . . . . . . . 5703 1 255 . 1 1 23 23 C H2' H 1 4.118 0.003 . 1 . . . . . . . . 5703 1 256 . 1 1 23 23 C H3' H 1 4.357 0.003 . 1 . . . . . . . . 5703 1 257 . 1 1 23 23 C H4' H 1 4.480 0.004 . 1 . . . . . . . . 5703 1 258 . 1 1 23 23 C H5' H 1 4.045 0.009 . 1 . . . . . . . . 5703 1 259 . 1 1 23 23 C H5'' H 1 4.012 0.010 . 1 . . . . . . . . 5703 1 260 . 1 1 23 23 C C1' C 13 93.20 0.040 . 1 . . . . . . . . 5703 1 261 . 1 1 24 24 C H41 H 1 8.44 0.009 . 1 . . . . . . . . 5703 1 262 . 1 1 24 24 C H42 H 1 6.97 0.011 . 1 . . . . . . . . 5703 1 263 . 1 1 24 24 C H5 H 1 5.437 0.003 . 1 . . . . . . . . 5703 1 264 . 1 1 24 24 C H6 H 1 7.635 0.002 . 1 . . . . . . . . 5703 1 265 . 1 1 24 24 C C5 C 13 97.46 0.030 . 1 . . . . . . . . 5703 1 266 . 1 1 24 24 C C6 C 13 141.07 0.020 . 1 . . . . . . . . 5703 1 267 . 1 1 24 24 C H1' H 1 5.75 0.008 . 1 . . . . . . . . 5703 1 268 . 1 1 24 24 C H2' H 1 4.147 0.007 . 1 . . . . . . . . 5703 1 269 . 1 1 24 24 C H3' H 1 4.170 0.010 . 1 . . . . . . . . 5703 1 270 . 1 1 24 24 C H4' H 1 4.153 0.009 . 1 . . . . . . . . 5703 1 271 . 1 1 24 24 C C1' C 13 91.98 0.030 . 1 . . . . . . . . 5703 1 stop_ save_