data_6509 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6509 _Entry.Title ; Solution Structure of the ScYLV P1-P2 Frameshifting Pseudoknot ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-17 _Entry.Accession_date 2005-02-23 _Entry.Last_release_date 2005-09-08 _Entry.Original_release_date 2005-09-08 _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 P. Cornish . V. . 6509 2 M. Hennig . . . 6509 3 D. Giedroc . P. . 6509 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6509 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 217 6509 '15N chemical shifts' 96 6509 '31P chemical shifts' 28 6509 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 . . 2005-09-08 2005-02-17 original author . 6509 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1YG3 'BMRB Entry Tracking System' 6509 PDB 1YG4 'BMRB Entry Tracking System' 6509 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6509 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16123125 _Citation.Full_citation . _Citation.Title ; A loop 2 cytidine-stem 1 minor groove interaction as a positive determinant for pseudoknot-stimulated -1 ribosomal frameshifting. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 102 _Citation.Journal_issue 36 _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 12694 _Citation.Page_last 12699 _Citation.Year 2005 _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 P. Cornish . V. . 6509 1 2 M. Hennig . . . 6509 1 3 D. Giedroc . P. . 6509 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protonated cytidine' 6509 1 'ribosomal frameshifting' 6509 1 'RNA pseudoknot' 6509 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ScYLV _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ScYLV _Assembly.Entry_ID 6509 _Assembly.ID 1 _Assembly.Name 'ScYLV RNA pseudoknot' _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 6509 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 'ScYLV RNA pseudoknot' 1 $ScYLV . . . native . . . . . 6509 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 1YG4 . . . . . . 6509 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ScYLV abbreviation 6509 1 'ScYLV RNA pseudoknot' system 6509 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ScYLV _Entity.Sf_category entity _Entity.Sf_framecode ScYLV _Entity.Entry_ID 6509 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ScYLV RNA pseudoknot' _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 ; AAAGUGGXGCCGACCACUUA AAAACACCGGA ; _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 31 _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 ScYLV abbreviation 6509 1 'ScYLV RNA pseudoknot' common 6509 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 . A . 6509 1 2 . A . 6509 1 3 . A . 6509 1 4 . G . 6509 1 5 . U . 6509 1 6 . G . 6509 1 7 . G . 6509 1 8 . CH . 6509 1 9 . G . 6509 1 10 . C . 6509 1 11 . C . 6509 1 12 . G . 6509 1 13 . A . 6509 1 14 . C . 6509 1 15 . C . 6509 1 16 . A . 6509 1 17 . C . 6509 1 18 . U . 6509 1 19 . U . 6509 1 20 . A . 6509 1 21 . A . 6509 1 22 . A . 6509 1 23 . A . 6509 1 24 . A . 6509 1 25 . C . 6509 1 26 . A . 6509 1 27 . C . 6509 1 28 . C . 6509 1 29 . G . 6509 1 30 . G . 6509 1 31 . A . 6509 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 . A 1 1 6509 1 . A 2 2 6509 1 . A 3 3 6509 1 . G 4 4 6509 1 . U 5 5 6509 1 . G 6 6 6509 1 . G 7 7 6509 1 . CH 8 8 6509 1 . G 9 9 6509 1 . C 10 10 6509 1 . C 11 11 6509 1 . G 12 12 6509 1 . A 13 13 6509 1 . C 14 14 6509 1 . C 15 15 6509 1 . A 16 16 6509 1 . C 17 17 6509 1 . U 18 18 6509 1 . U 19 19 6509 1 . A 20 20 6509 1 . A 21 21 6509 1 . A 22 22 6509 1 . A 23 23 6509 1 . A 24 24 6509 1 . C 25 25 6509 1 . A 26 26 6509 1 . C 27 27 6509 1 . C 28 28 6509 1 . G 29 29 6509 1 . G 30 30 6509 1 . A 31 31 6509 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 6509 _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 $ScYLV . 94290 virus . 'Polerovirus Sugarcane yellow leaf virus' 'Sugarcane Yellow Leaf Virus' . . Viruses . Polerovirus 'Sugarcane yellow leaf virus' . . . . . . . . . . . . . . . . . . ; The sequence was derived from the + sense mRNA virus Sugarcane Yellow Leaf Virus (ScYLV). ; . . 6509 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 6509 _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 $ScYLV . 'enzymatic semi-synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . ; The RNA was prepared from synthesized DNA templates by in vitro transcription using SP6 RNA polymerase. ; . . 6509 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CH _Chem_comp.Entry_ID 6509 _Chem_comp.ID CH _Chem_comp.Provenance . _Chem_comp.Name 'N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE' _Chem_comp.Type 'RNA linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code CH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code C _Chem_comp.Three_letter_code CH _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 C _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H15 N3 O8 P' _Chem_comp.Formula_weight 324.204 _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 yes _Chem_comp.Model_coordinates_db_code 1KOS _Chem_comp.Processing_site PDBE _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 Mon Jun 20 11:11:19 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=C(NC(=O)[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 6509 CH C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6509 CH InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1 InChI InChI 1.03 6509 CH NC1=CC=[N+]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 SMILES_CANONICAL CACTVS 3.341 6509 CH NC1=CC=[N+]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1 SMILES CACTVS 3.341 6509 CH O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O SMILES ACDLabs 10.04 6509 CH ULTJSGLMABORQB-XVFCMESISA-O InChIKey InChI 1.03 6509 CH 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 '[(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6509 CH '5'-cytidylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 6509 CH 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 OP3 . OP3 . . O . . N 0 . . . . no yes . . . . -7.677 . -3.826 . -4.414 . -4.977 0.089 -0.423 1 . 6509 CH P . P . . P . . N 0 . . . . no no . . . . -7.437 . -2.235 . -4.522 . -4.091 -0.990 0.070 2 . 6509 CH OP1 . OP1 . . O . . N 0 . . . . no no . . . . -8.014 . -1.611 . -3.313 . -3.632 -1.914 -1.165 3 . 6509 CH OP2 . OP2 . . O . . N 0 . . . . no no . . . . -6.008 . -2.013 . -4.810 . -4.886 -1.887 1.145 4 . 6509 CH O5' . O5' . . O . . N 0 . . . . no no . . . . -8.345 . -1.800 . -5.813 . -2.793 -0.341 0.768 5 . 6509 CH C5' . C5' . . C . . N 0 . . . . no no . . . . -8.537 . -2.595 . -7.009 . -2.200 0.532 -0.195 6 . 6509 CH C4' . C4' . . C . . R 0 . . . . no no . . . . -7.342 . -2.521 . -7.948 . -0.954 1.184 0.407 7 . 6509 CH O4' . O4' . . O . . N 0 . . . . no no . . . . -6.203 . -2.857 . -7.171 . 0.068 0.192 0.645 8 . 6509 CH C3' . C3' . . C . . S 0 . . . . no no . . . . -7.339 . -3.495 . -9.133 . -0.320 2.169 -0.600 9 . 6509 CH O3' . O3' . . O . . N 0 . . . . no no . . . . -6.465 . -3.009 . -10.168 . -0.722 3.510 -0.310 10 . 6509 CH C2' . C2' . . C . . R 0 . . . . no no . . . . -6.769 . -4.723 . -8.425 . 1.203 2.001 -0.383 11 . 6509 CH O2' . O2' . . O . . N 0 . . . . no no . . . . -6.281 . -5.760 . -9.271 . 1.787 3.234 0.045 12 . 6509 CH C1' . C1' . . C . . R 0 . . . . no no . . . . -5.641 . -4.069 . -7.620 . 1.306 0.932 0.727 13 . 6509 CH N1 . N1 . . N . . N 1 . . . . no no . . . . -5.100 . -4.838 . -6.463 . 2.446 0.047 0.478 14 . 6509 CH C2 . C2 . . C . . N 0 . . . . no no . . . . -3.751 . -4.636 . -6.154 . 2.506 -0.637 -0.663 15 . 6509 CH O2 . O2 . . O . . N 0 . . . . no no . . . . -3.019 . -3.875 . -6.788 . 1.610 -0.516 -1.481 16 . 6509 CH N3 . N3 . . N . . N 0 . . . . no no . . . . -3.267 . -5.348 . -5.075 . 3.540 -1.456 -0.932 17 . 6509 CH C4 . C4 . . C . . N 0 . . . . no no . . . . -4.038 . -6.208 . -4.333 . 4.547 -1.605 -0.021 18 . 6509 CH N4 . N4 . . N . . N 0 . . . . no no . . . . -3.470 . -6.838 . -3.305 . 5.603 -2.439 -0.279 19 . 6509 CH C5 . C5 . . C . . N 0 . . . . no no . . . . -5.411 . -6.400 . -4.669 . 4.484 -0.892 1.167 20 . 6509 CH C6 . C6 . . C . . N 0 . . . . no no . . . . -5.894 . -5.704 . -5.726 . 3.398 -0.057 1.390 21 . 6509 CH HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . -7.306 . -4.227 . -5.191 . . . . 22 . 6509 CH HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . -5.866 . -1.075 . -4.873 . -5.654 -2.255 0.688 23 . 6509 CH H5' . H5' . . H . . N 0 . . . . no no . . . . -9.436 . -2.272 . -7.536 . -2.915 1.305 -0.475 24 . 6509 CH H5'' . H5'' . . H . . N 0 . . . . no no . . . . -8.675 . -3.630 . -6.696 . -1.919 -0.040 -1.080 25 . 6509 CH H4' . H4' . . H . . N 0 . . . . no no . . . . -7.243 . -1.501 . -8.317 . -1.206 1.699 1.334 26 . 6509 CH H3' . H3' . . H . . N 0 . . . . no no . . . . -8.346 . -3.631 . -9.531 . -0.593 1.902 -1.620 27 . 6509 CH HO3' . HO3' . . H . . N 0 . . . . no yes . . . . -6.463 . -3.612 . -10.901 . -0.298 4.077 -0.968 28 . 6509 CH H2' . H2' . . H . . N 0 . . . . no no . . . . -7.553 . -5.116 . -7.780 . 1.682 1.649 -1.296 29 . 6509 CH HO2' . HO2' . . H . . N 0 . . . . no no . . . . -6.053 . -6.490 . -8.689 . 1.637 3.875 -0.663 30 . 6509 CH H1' . H1' . . H . . N 0 . . . . no no . . . . -4.844 . -3.677 . -8.250 . 1.400 1.406 1.704 31 . 6509 CH HN3 . HN3 . . H . . N 0 . . . . no no . . . . -2.294 . -5.211 . -4.840 . 3.566 -1.946 -1.769 32 . 6509 CH H41 . H41 . . H . . N 0 . . . . no no . . . . -2.495 . -6.682 . -3.095 . 6.316 -2.534 0.372 33 . 6509 CH H42 . H42 . . H . . N 0 . . . . no no . . . . -4.015 . -7.470 . -2.737 . 5.637 -2.936 -1.111 34 . 6509 CH H5 . H5 . . H . . N 0 . . . . no no . . . . -6.031 . -7.088 . -4.091 . 5.266 -0.985 1.906 35 . 6509 CH H6 . H6 . . H . . N 0 . . . . no no . . . . -6.951 . -5.842 . -5.981 . 3.329 0.506 2.309 36 . 6509 CH 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 OP3 P no N 1 . 6509 CH 2 . SING OP3 HOP3 no N 2 . 6509 CH 3 . DOUB P OP1 no N 3 . 6509 CH 4 . SING P OP2 no N 4 . 6509 CH 5 . SING P O5' no N 5 . 6509 CH 6 . SING OP2 HOP2 no N 6 . 6509 CH 7 . SING O5' C5' no N 7 . 6509 CH 8 . SING C5' C4' no N 8 . 6509 CH 9 . SING C5' H5' no N 9 . 6509 CH 10 . SING C5' H5'' no N 10 . 6509 CH 11 . SING C4' O4' no N 11 . 6509 CH 12 . SING C4' C3' no N 12 . 6509 CH 13 . SING C4' H4' no N 13 . 6509 CH 14 . SING O4' C1' no N 14 . 6509 CH 15 . SING C3' O3' no N 15 . 6509 CH 16 . SING C3' C2' no N 16 . 6509 CH 17 . SING C3' H3' no N 17 . 6509 CH 18 . SING O3' HO3' no N 18 . 6509 CH 19 . SING C2' O2' no N 19 . 6509 CH 20 . SING C2' C1' no N 20 . 6509 CH 21 . SING C2' H2' no N 21 . 6509 CH 22 . SING O2' HO2' no N 22 . 6509 CH 23 . SING C1' N1 no N 23 . 6509 CH 24 . SING C1' H1' no N 24 . 6509 CH 25 . SING N1 C2 no N 25 . 6509 CH 26 . DOUB N1 C6 no N 26 . 6509 CH 27 . DOUB C2 O2 no N 27 . 6509 CH 28 . SING C2 N3 no N 28 . 6509 CH 29 . SING N3 C4 no N 29 . 6509 CH 30 . SING N3 HN3 no N 30 . 6509 CH 31 . SING C4 N4 no N 31 . 6509 CH 32 . DOUB C4 C5 no N 32 . 6509 CH 33 . SING N4 H41 no N 33 . 6509 CH 34 . SING N4 H42 no N 34 . 6509 CH 35 . SING C5 C6 no N 35 . 6509 CH 36 . SING C5 H5 no N 36 . 6509 CH 37 . SING C6 H6 no N 37 . 6509 CH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6509 _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 'ScYLV RNA pseudoknot' . . . 1 $ScYLV . . 2 . . mM . . . . 6509 1 2 KCl . . . . . . . 100 . . mM . . . . 6509 1 3 MgCl2 . . . . . . . 5 . . mM . . . . 6509 1 4 H2O . . . . . . . 90 . . % . . . . 6509 1 5 D2O . . . . . . . 10 . . % . . . . 6509 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6509 _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 'ScYLV RNA pseudoknot' . . . 1 $ScYLV . . 2 . . mM . . . . 6509 2 2 KCl . . . . . . . 100 . . mM . . . . 6509 2 3 MgCl2 . . . . . . . 5 . . mM . . . . 6509 2 4 D2O . . . . . . . 100 . . % . . . . 6509 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6509 _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 'ScYLV RNA pseudoknot' . . . 1 $ScYLV . . 2 . . mM . . . . 6509 3 2 KCl . . . . . . . 100 . . mM . . . . 6509 3 3 MgCl2 . . . . . . . 5 . . mM . . . . 6509 3 4 'PF1 phage' . . . . . . . 12.5 . . mg/ml . . . . 6509 3 5 D2O . . . . . . . 100 . . % . . . . 6509 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6509 _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' 150 . mM 6509 1 pH 6.0 . pH 6509 1 pressure 1 . atm 6509 1 temperature 283 . K 6509 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6509 _Software.ID 1 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details 'F. Delaglio, S. Grzesiek, G.W. Vuister, G. Zhu, J. Pfeifer and A. Bax.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6509 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6509 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details 'T. D. Goddard and D. G. Kneller.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6509 2 stop_ save_ save_X-PLOR-NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR-NIH _Software.Entry_ID 6509 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.7 _Software.Details 'G.M. Clore , J.Kuszewski, C.D. Schwieters, and N.Tjandra.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution, refinement' 6509 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6509 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6509 _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 Bruker AVANCE . 900 . . . 6509 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 6509 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6509 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6509 1 3 CT-TROSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6509 1 4 CT-antiTROSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6509 1 5 'J-modulated HSQC' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6509 1 6 '2D TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6509 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6509 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6509 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6509 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CT-TROSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6509 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CT-antiTROSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6509 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'J-modulated HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6509 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.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 6509 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6509 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6509 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6509 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 6509 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6509 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 . 6509 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 2 2 A C1' C 13 89.93 0.191 . 1 . . . . . . . . 6509 1 2 . 1 1 2 2 A C2 C 13 154.558 0.0 . 1 . . . . . . . . 6509 1 3 . 1 1 2 2 A C2' C 13 76.404 0.071 . 1 . . . . . . . . 6509 1 4 . 1 1 2 2 A C3' C 13 77.403 0.205 . 1 . . . . . . . . 6509 1 5 . 1 1 2 2 A C4' C 13 85.128 0.085 . 1 . . . . . . . . 6509 1 6 . 1 1 2 2 A C5' C 13 68.198 0.047 . 1 . . . . . . . . 6509 1 7 . 1 1 2 2 A C8 C 13 139.934 0.266 . 1 . . . . . . . . 6509 1 8 . 1 1 2 2 A H1' H 1 5.598 0.010 . 1 . . . . . . . . 6509 1 9 . 1 1 2 2 A H2 H 1 7.954 0.004 . 1 . . . . . . . . 6509 1 10 . 1 1 2 2 A H2' H 1 4.678 0.016 . 1 . . . . . . . . 6509 1 11 . 1 1 2 2 A H3' H 1 4.804 0.021 . 1 . . . . . . . . 6509 1 12 . 1 1 2 2 A H4' H 1 4.496 0.011 . 1 . . . . . . . . 6509 1 13 . 1 1 2 2 A H5' H 1 4.246 0.023 . 1 . . . . . . . . 6509 1 14 . 1 1 2 2 A H5'' H 1 4.298 0.030 . 1 . . . . . . . . 6509 1 15 . 1 1 2 2 A H8 H 1 7.999 0.011 . 1 . . . . . . . . 6509 1 16 . 1 1 2 2 A N1 N 15 222.479 0.063 . 1 . . . . . . . . 6509 1 17 . 1 1 2 2 A N3 N 15 214.429 0.057 . 1 . . . . . . . . 6509 1 18 . 1 1 2 2 A N7 N 15 231.403 0.278 . 1 . . . . . . . . 6509 1 19 . 1 1 2 2 A N9 N 15 164.954 0.077 . 1 . . . . . . . . 6509 1 20 . 1 1 2 2 A P P 31 -4.608 0.006 . 1 . . . . . . . . 6509 1 21 . 1 1 3 3 A C1' C 13 91.551 0.253 . 1 . . . . . . . . 6509 1 22 . 1 1 3 3 A C2 C 13 154.815 0.0 . 1 . . . . . . . . 6509 1 23 . 1 1 3 3 A C2' C 13 76.248 0.052 . 1 . . . . . . . . 6509 1 24 . 1 1 3 3 A C3' C 13 76.172 0.064 . 1 . . . . . . . . 6509 1 25 . 1 1 3 3 A C4' C 13 84.547 0.187 . 1 . . . . . . . . 6509 1 26 . 1 1 3 3 A C5' C 13 67.559 0.213 . 1 . . . . . . . . 6509 1 27 . 1 1 3 3 A C8 C 13 141.779 0.343 . 1 . . . . . . . . 6509 1 28 . 1 1 3 3 A H1' H 1 6.037 0.021 . 1 . . . . . . . . 6509 1 29 . 1 1 3 3 A H2 H 1 7.986 0.017 . 1 . . . . . . . . 6509 1 30 . 1 1 3 3 A H2' H 1 4.839 0.004 . 1 . . . . . . . . 6509 1 31 . 1 1 3 3 A H3' H 1 4.804 0.004 . 1 . . . . . . . . 6509 1 32 . 1 1 3 3 A H4' H 1 4.654 0.003 . 1 . . . . . . . . 6509 1 33 . 1 1 3 3 A H5' H 1 4.263 0.015 . 1 . . . . . . . . 6509 1 34 . 1 1 3 3 A H5'' H 1 4.409 0.028 . 1 . . . . . . . . 6509 1 35 . 1 1 3 3 A H8 H 1 8.268 0.008 . 1 . . . . . . . . 6509 1 36 . 1 1 3 3 A N1 N 15 218.923 0.094 . 1 . . . . . . . . 6509 1 37 . 1 1 3 3 A N3 N 15 210.595 0.110 . 1 . . . . . . . . 6509 1 38 . 1 1 3 3 A N6 N 15 77.096 0.033 . 1 . . . . . . . . 6509 1 39 . 1 1 3 3 A N7 N 15 227.655 0.051 . 1 . . . . . . . . 6509 1 40 . 1 1 3 3 A N9 N 15 166.308 0.194 . 1 . . . . . . . . 6509 1 41 . 1 1 4 4 G C1' C 13 92.348 0.077 . 1 . . . . . . . . 6509 1 42 . 1 1 4 4 G C2 C 13 157.408 0.0 . 1 . . . . . . . . 6509 1 43 . 1 1 4 4 G C2' C 13 76.39 0.063 . 1 . . . . . . . . 6509 1 44 . 1 1 4 4 G C3' C 13 74.097 0.044 . 1 . . . . . . . . 6509 1 45 . 1 1 4 4 G C4' C 13 82.323 0.052 . 1 . . . . . . . . 6509 1 46 . 1 1 4 4 G C5' C 13 65.855 0.094 . 1 . . . . . . . . 6509 1 47 . 1 1 4 4 G C6 C 13 161.546 0.0 . 1 . . . . . . . . 6509 1 48 . 1 1 4 4 G C8 C 13 136.421 0.394 . 1 . . . . . . . . 6509 1 49 . 1 1 4 4 G H1 H 1 13.431 0.053 . 1 . . . . . . . . 6509 1 50 . 1 1 4 4 G H1' H 1 5.87 0.023 . 1 . . . . . . . . 6509 1 51 . 1 1 4 4 G H2' H 1 4.368 0.012 . 1 . . . . . . . . 6509 1 52 . 1 1 4 4 G H3' H 1 4.673 0.008 . 1 . . . . . . . . 6509 1 53 . 1 1 4 4 G H4' H 1 4.596 0.015 . 1 . . . . . . . . 6509 1 54 . 1 1 4 4 G H5' H 1 4.226 0.018 . 1 . . . . . . . . 6509 1 55 . 1 1 4 4 G H5'' H 1 4.441 0.029 . 1 . . . . . . . . 6509 1 56 . 1 1 4 4 G H8 H 1 7.573 0.025 . 1 . . . . . . . . 6509 1 57 . 1 1 4 4 G N1 N 15 145.373 0.011 . 1 . . . . . . . . 6509 1 58 . 1 1 4 4 G N2 N 15 77.696 0.018 . 1 . . . . . . . . 6509 1 59 . 1 1 4 4 G N7 N 15 231.084 0.106 . 1 . . . . . . . . 6509 1 60 . 1 1 4 4 G N9 N 15 166.771 0.069 . 1 . . . . . . . . 6509 1 61 . 1 1 4 4 G P P 31 -4.202 0.0 . 1 . . . . . . . . 6509 1 62 . 1 1 5 5 U C1' C 13 94.01 0.054 . 1 . . . . . . . . 6509 1 63 . 1 1 5 5 U C2' C 13 74.635 0.080 . 1 . . . . . . . . 6509 1 64 . 1 1 5 5 U C3' C 13 72.267 0.026 . 1 . . . . . . . . 6509 1 65 . 1 1 5 5 U C4' C 13 81.667 0.018 . 1 . . . . . . . . 6509 1 66 . 1 1 5 5 U C5 C 13 103.187 0.0 . 1 . . . . . . . . 6509 1 67 . 1 1 5 5 U C5' C 13 64.544 0.155 . 1 . . . . . . . . 6509 1 68 . 1 1 5 5 U C6 C 13 141.451 0.195 . 1 . . . . . . . . 6509 1 69 . 1 1 5 5 U H1' H 1 5.079 0.015 . 1 . . . . . . . . 6509 1 70 . 1 1 5 5 U H2' H 1 4.545 0.009 . 1 . . . . . . . . 6509 1 71 . 1 1 5 5 U H3 H 1 14.146 0.065 . 1 . . . . . . . . 6509 1 72 . 1 1 5 5 U H3' H 1 4.526 0.004 . 1 . . . . . . . . 6509 1 73 . 1 1 5 5 U H4' H 1 4.537 0.015 . 1 . . . . . . . . 6509 1 74 . 1 1 5 5 U H5 H 1 5.248 0.007 . 1 . . . . . . . . 6509 1 75 . 1 1 5 5 U H5' H 1 4.19 0.012 . 1 . . . . . . . . 6509 1 76 . 1 1 5 5 U H5'' H 1 4.715 0.047 . 1 . . . . . . . . 6509 1 77 . 1 1 5 5 U H6 H 1 7.926 0.020 . 1 . . . . . . . . 6509 1 78 . 1 1 5 5 U N1 N 15 142.716 0.141 . 1 . . . . . . . . 6509 1 79 . 1 1 5 5 U N3 N 15 160.357 0.004 . 1 . . . . . . . . 6509 1 80 . 1 1 5 5 U P P 31 -4.205 0.005 . 1 . . . . . . . . 6509 1 81 . 1 1 6 6 G C1' C 13 91.438 0.082 . 1 . . . . . . . . 6509 1 82 . 1 1 6 6 G C2 C 13 156.288 0.003 . 1 . . . . . . . . 6509 1 83 . 1 1 6 6 G C2' C 13 75.689 0.018 . 1 . . . . . . . . 6509 1 84 . 1 1 6 6 G C3' C 13 73.027 0.129 . 1 . . . . . . . . 6509 1 85 . 1 1 6 6 G C4' C 13 81.018 0.030 . 1 . . . . . . . . 6509 1 86 . 1 1 6 6 G C5' C 13 64.59 0.068 . 1 . . . . . . . . 6509 1 87 . 1 1 6 6 G C6 C 13 161.012 0.0 . 1 . . . . . . . . 6509 1 88 . 1 1 6 6 G C8 C 13 136.888 0.300 . 1 . . . . . . . . 6509 1 89 . 1 1 6 6 G H1 H 1 12.354 0.034 . 1 . . . . . . . . 6509 1 90 . 1 1 6 6 G H1' H 1 5.152 0.016 . 1 . . . . . . . . 6509 1 91 . 1 1 6 6 G H2' H 1 4.528 0.005 . 1 . . . . . . . . 6509 1 92 . 1 1 6 6 G H21 H 1 8.275 0.016 . 1 . . . . . . . . 6509 1 93 . 1 1 6 6 G H22 H 1 8.415 0.024 . 1 . . . . . . . . 6509 1 94 . 1 1 6 6 G H3' H 1 4.528 0.0 . 1 . . . . . . . . 6509 1 95 . 1 1 6 6 G H4' H 1 4.491 0.004 . 1 . . . . . . . . 6509 1 96 . 1 1 6 6 G H5' H 1 4.169 0.005 . 1 . . . . . . . . 6509 1 97 . 1 1 6 6 G H5'' H 1 4.562 0.002 . 1 . . . . . . . . 6509 1 98 . 1 1 6 6 G H8 H 1 7.866 0.082 . 1 . . . . . . . . 6509 1 99 . 1 1 6 6 G N1 N 15 143.91 0.055 . 1 . . . . . . . . 6509 1 100 . 1 1 6 6 G N2 N 15 74.442 0.107 . 1 . . . . . . . . 6509 1 101 . 1 1 6 6 G N7 N 15 230.644 0.245 . 1 . . . . . . . . 6509 1 102 . 1 1 6 6 G N9 N 15 167.416 0.054 . 1 . . . . . . . . 6509 1 103 . 1 1 6 6 G P P 31 -3.937 0.024 . 1 . . . . . . . . 6509 1 104 . 1 1 7 7 G C1' C 13 92.239 0.075 . 1 . . . . . . . . 6509 1 105 . 1 1 7 7 G C2 C 13 157.29 0.011 . 1 . . . . . . . . 6509 1 106 . 1 1 7 7 G C2' C 13 77.146 0.015 . 1 . . . . . . . . 6509 1 107 . 1 1 7 7 G C3' C 13 72.983 0.146 . 1 . . . . . . . . 6509 1 108 . 1 1 7 7 G C4' C 13 81.873 0.012 . 1 . . . . . . . . 6509 1 109 . 1 1 7 7 G C5' C 13 64.167 0.016 . 1 . . . . . . . . 6509 1 110 . 1 1 7 7 G C6 C 13 162.292 0.0 . 1 . . . . . . . . 6509 1 111 . 1 1 7 7 G C8 C 13 136.325 0.247 . 1 . . . . . . . . 6509 1 112 . 1 1 7 7 G H1 H 1 13.26 0.034 . 1 . . . . . . . . 6509 1 113 . 1 1 7 7 G H1' H 1 5.839 0.061 . 1 . . . . . . . . 6509 1 114 . 1 1 7 7 G H2' H 1 4.155 0.011 . 1 . . . . . . . . 6509 1 115 . 1 1 7 7 G H21 H 1 8.513 0.029 . 1 . . . . . . . . 6509 1 116 . 1 1 7 7 G H22 H 1 8.601 0.016 . 1 . . . . . . . . 6509 1 117 . 1 1 7 7 G H3' H 1 4.532 0.003 . 1 . . . . . . . . 6509 1 118 . 1 1 7 7 G H4' H 1 4.522 0.011 . 1 . . . . . . . . 6509 1 119 . 1 1 7 7 G H5' H 1 4.177 0.0 . 1 . . . . . . . . 6509 1 120 . 1 1 7 7 G H5'' H 1 4.577 0.002 . 1 . . . . . . . . 6509 1 121 . 1 1 7 7 G H8 H 1 7.103 0.228 . 1 . . . . . . . . 6509 1 122 . 1 1 7 7 G N1 N 15 145.403 0.003 . 1 . . . . . . . . 6509 1 123 . 1 1 7 7 G N2 N 15 75.378 0.086 . 1 . . . . . . . . 6509 1 124 . 1 1 7 7 G N7 N 15 233.352 0.109 . 1 . . . . . . . . 6509 1 125 . 1 1 7 7 G N9 N 15 166.386 0.060 . 1 . . . . . . . . 6509 1 126 . 1 1 7 7 G P P 31 -5.243 0.0 . 1 . . . . . . . . 6509 1 127 . 1 1 8 8 CH C1' C 13 95.142 0.070 . 1 . . . . . . . . 6509 1 128 . 1 1 8 8 CH C2 C 13 150.849 0.0 . 1 . . . . . . . . 6509 1 129 . 1 1 8 8 CH C2' C 13 76.081 0.069 . 1 . . . . . . . . 6509 1 130 . 1 1 8 8 CH C3' C 13 74.505 0.105 . 1 . . . . . . . . 6509 1 131 . 1 1 8 8 CH C4 C 13 160.425 0.002 . 1 . . . . . . . . 6509 1 132 . 1 1 8 8 CH C4' C 13 82.191 0.079 . 1 . . . . . . . . 6509 1 133 . 1 1 8 8 CH C5 C 13 98.668 0.221 . 1 . . . . . . . . 6509 1 134 . 1 1 8 8 CH C5' C 13 68.14 0.218 . 1 . . . . . . . . 6509 1 135 . 1 1 8 8 CH C6 C 13 143.499 0.203 . 1 . . . . . . . . 6509 1 136 . 1 1 8 8 CH H1' H 1 5.264 0.018 . 1 . . . . . . . . 6509 1 137 . 1 1 8 8 CH H2' H 1 4.288 0.006 . 1 . . . . . . . . 6509 1 138 . 1 1 8 8 CH HO3' H 1 12.216 0.058 . 1 . . . . . . . . 6509 1 139 . 1 1 8 8 CH H3' H 1 3.757 0.013 . 1 . . . . . . . . 6509 1 140 . 1 1 8 8 CH H4' H 1 4.388 0.021 . 1 . . . . . . . . 6509 1 141 . 1 1 8 8 CH H41 H 1 9.472 0.023 . 1 . . . . . . . . 6509 1 142 . 1 1 8 8 CH H42 H 1 11.655 0.028 . 1 . . . . . . . . 6509 1 143 . 1 1 8 8 CH H5 H 1 5.53 0.018 . 1 . . . . . . . . 6509 1 144 . 1 1 8 8 CH H5' H 1 4.047 0.013 . 1 . . . . . . . . 6509 1 145 . 1 1 8 8 CH H5'' H 1 4.234 0.010 . 1 . . . . . . . . 6509 1 146 . 1 1 8 8 CH H6 H 1 7.298 0.010 . 1 . . . . . . . . 6509 1 147 . 1 1 8 8 CH N1 N 15 148.119 0.037 . 1 . . . . . . . . 6509 1 148 . 1 1 8 8 CH N3 N 15 138.365 0.011 . 1 . . . . . . . . 6509 1 149 . 1 1 8 8 CH N4 N 15 111.011 0.006 . 1 . . . . . . . . 6509 1 150 . 1 1 8 8 CH P P 31 -4.608 0.025 . 1 . . . . . . . . 6509 1 151 . 1 1 9 9 G C1' C 13 94.323 0.092 . 1 . . . . . . . . 6509 1 152 . 1 1 9 9 G C2' C 13 74.938 0.071 . 1 . . . . . . . . 6509 1 153 . 1 1 9 9 G C3' C 13 73.355 0.030 . 1 . . . . . . . . 6509 1 154 . 1 1 9 9 G C4' C 13 81.871 0.003 . 1 . . . . . . . . 6509 1 155 . 1 1 9 9 G C8 C 13 141.406 0.039 . 1 . . . . . . . . 6509 1 156 . 1 1 9 9 G H1' H 1 5.792 0.007 . 1 . . . . . . . . 6509 1 157 . 1 1 9 9 G H2' H 1 5.325 0.012 . 1 . . . . . . . . 6509 1 158 . 1 1 9 9 G H3' H 1 4.685 0.004 . 1 . . . . . . . . 6509 1 159 . 1 1 9 9 G H4' H 1 4.482 0.007 . 1 . . . . . . . . 6509 1 160 . 1 1 9 9 G H8 H 1 8.12 0.005 . 1 . . . . . . . . 6509 1 161 . 1 1 9 9 G N7 N 15 229.546 0.0 . 1 . . . . . . . . 6509 1 162 . 1 1 9 9 G N9 N 15 165.534 0.037 . 1 . . . . . . . . 6509 1 163 . 1 1 10 10 C C1' C 13 94.867 0.071 . 1 . . . . . . . . 6509 1 164 . 1 1 10 10 C C2' C 13 75.53 0.103 . 1 . . . . . . . . 6509 1 165 . 1 1 10 10 C C3' C 13 72.256 0.054 . 1 . . . . . . . . 6509 1 166 . 1 1 10 10 C C4 C 13 155.23 0.001 . 1 . . . . . . . . 6509 1 167 . 1 1 10 10 C C4' C 13 83.083 0.080 . 1 . . . . . . . . 6509 1 168 . 1 1 10 10 C C5 C 13 96.837 0.194 . 1 . . . . . . . . 6509 1 169 . 1 1 10 10 C C5' C 13 65.221 0.093 . 1 . . . . . . . . 6509 1 170 . 1 1 10 10 C C6 C 13 143.41 0.0 . 1 . . . . . . . . 6509 1 171 . 1 1 10 10 C H1' H 1 5.518 0.007 . 1 . . . . . . . . 6509 1 172 . 1 1 10 10 C H2' H 1 4.321 0.009 . 1 . . . . . . . . 6509 1 173 . 1 1 10 10 C H3' H 1 4.694 0.008 . 1 . . . . . . . . 6509 1 174 . 1 1 10 10 C H4' H 1 4.493 0.006 . 1 . . . . . . . . 6509 1 175 . 1 1 10 10 C H41 H 1 6.229 0.015 . 1 . . . . . . . . 6509 1 176 . 1 1 10 10 C H42 H 1 8.292 0.038 . 1 . . . . . . . . 6509 1 177 . 1 1 10 10 C H5 H 1 5.076 0.024 . 1 . . . . . . . . 6509 1 178 . 1 1 10 10 C H5' H 1 4.15 0.006 . 1 . . . . . . . . 6509 1 179 . 1 1 10 10 C H5'' H 1 4.406 0.003 . 1 . . . . . . . . 6509 1 180 . 1 1 10 10 C H6 H 1 7.762 0.017 . 1 . . . . . . . . 6509 1 181 . 1 1 10 10 C N1 N 15 148.273 0.037 . 1 . . . . . . . . 6509 1 182 . 1 1 10 10 C N3 N 15 194.844 0.0 . 1 . . . . . . . . 6509 1 183 . 1 1 10 10 C P P 31 -3.798 0.0 . 1 . . . . . . . . 6509 1 184 . 1 1 11 11 C C1' C 13 93.979 0.024 . 1 . . . . . . . . 6509 1 185 . 1 1 11 11 C C2' C 13 75.42 0.053 . 1 . . . . . . . . 6509 1 186 . 1 1 11 11 C C3' C 13 71.997 0.040 . 1 . . . . . . . . 6509 1 187 . 1 1 11 11 C C4 C 13 155.547 0.004 . 1 . . . . . . . . 6509 1 188 . 1 1 11 11 C C4' C 13 82.022 0.056 . 1 . . . . . . . . 6509 1 189 . 1 1 11 11 C C5 C 13 97.329 0.195 . 1 . . . . . . . . 6509 1 190 . 1 1 11 11 C C5' C 13 64.514 0.060 . 1 . . . . . . . . 6509 1 191 . 1 1 11 11 C C6 C 13 142.263 0.273 . 1 . . . . . . . . 6509 1 192 . 1 1 11 11 C H1' H 1 5.413 0.020 . 1 . . . . . . . . 6509 1 193 . 1 1 11 11 C H2' H 1 4.354 0.019 . 1 . . . . . . . . 6509 1 194 . 1 1 11 11 C H3' H 1 4.477 0.025 . 1 . . . . . . . . 6509 1 195 . 1 1 11 11 C H4' H 1 4.445 0.009 . 1 . . . . . . . . 6509 1 196 . 1 1 11 11 C H41 H 1 7.621 0.052 . 1 . . . . . . . . 6509 1 197 . 1 1 11 11 C H42 H 1 8.132 0.029 . 1 . . . . . . . . 6509 1 198 . 1 1 11 11 C H5 H 1 5.281 0.017 . 1 . . . . . . . . 6509 1 199 . 1 1 11 11 C H5' H 1 4.101 0.011 . 1 . . . . . . . . 6509 1 200 . 1 1 11 11 C H5'' H 1 4.562 0.010 . 1 . . . . . . . . 6509 1 201 . 1 1 11 11 C H6 H 1 7.813 0.028 . 1 . . . . . . . . 6509 1 202 . 1 1 11 11 C N1 N 15 147.128 0.358 . 1 . . . . . . . . 6509 1 203 . 1 1 11 11 C N3 N 15 191.606 0.0 . 1 . . . . . . . . 6509 1 204 . 1 1 11 11 C N4 N 15 95.751 0.030 . 1 . . . . . . . . 6509 1 205 . 1 1 11 11 C P P 31 -4.011 0.001 . 1 . . . . . . . . 6509 1 206 . 1 1 12 12 G C1' C 13 92.065 0.080 . 1 . . . . . . . . 6509 1 207 . 1 1 12 12 G C2 C 13 157.62 0.0 . 1 . . . . . . . . 6509 1 208 . 1 1 12 12 G C2' C 13 77.458 0.080 . 1 . . . . . . . . 6509 1 209 . 1 1 12 12 G C3' C 13 73.622 0.413 . 1 . . . . . . . . 6509 1 210 . 1 1 12 12 G C4' C 13 82.772 0.067 . 1 . . . . . . . . 6509 1 211 . 1 1 12 12 G C5' C 13 65.013 0.135 . 1 . . . . . . . . 6509 1 212 . 1 1 12 12 G C6 C 13 161.788 0.0 . 1 . . . . . . . . 6509 1 213 . 1 1 12 12 G C8 C 13 136.075 0.287 . 1 . . . . . . . . 6509 1 214 . 1 1 12 12 G H1 H 1 13.643 0.038 . 1 . . . . . . . . 6509 1 215 . 1 1 12 12 G H1' H 1 5.934 0.022 . 1 . . . . . . . . 6509 1 216 . 1 1 12 12 G H2' H 1 4.155 0.026 . 1 . . . . . . . . 6509 1 217 . 1 1 12 12 G H3' H 1 4.839 0.011 . 1 . . . . . . . . 6509 1 218 . 1 1 12 12 G H4' H 1 4.541 0.019 . 1 . . . . . . . . 6509 1 219 . 1 1 12 12 G H5' H 1 4.199 0.0 . 1 . . . . . . . . 6509 1 220 . 1 1 12 12 G H5'' H 1 4.609 0.006 . 1 . . . . . . . . 6509 1 221 . 1 1 12 12 G H8 H 1 7.627 0.022 . 1 . . . . . . . . 6509 1 222 . 1 1 12 12 G N1 N 15 145.554 0.053 . 1 . . . . . . . . 6509 1 223 . 1 1 12 12 G N7 N 15 231.213 0.037 . 1 . . . . . . . . 6509 1 224 . 1 1 12 12 G N9 N 15 168.006 0.095 . 1 . . . . . . . . 6509 1 225 . 1 1 12 12 G P P 31 -3.797 0.010 . 1 . . . . . . . . 6509 1 226 . 1 1 13 13 A C1' C 13 90.581 0.239 . 1 . . . . . . . . 6509 1 227 . 1 1 13 13 A C2 C 13 154.13 0.343 . 1 . . . . . . . . 6509 1 228 . 1 1 13 13 A C2' C 13 76.338 0.136 . 1 . . . . . . . . 6509 1 229 . 1 1 13 13 A C3' C 13 77.738 0.168 . 1 . . . . . . . . 6509 1 230 . 1 1 13 13 A C4' C 13 86.328 0.154 . 1 . . . . . . . . 6509 1 231 . 1 1 13 13 A C5' C 13 68.106 0.150 . 1 . . . . . . . . 6509 1 232 . 1 1 13 13 A C8 C 13 144.047 0.469 . 1 . . . . . . . . 6509 1 233 . 1 1 13 13 A H1' H 1 6.295 0.038 . 1 . . . . . . . . 6509 1 234 . 1 1 13 13 A H2 H 1 8.303 0.015 . 1 . . . . . . . . 6509 1 235 . 1 1 13 13 A H2' H 1 5.108 0.046 . 1 . . . . . . . . 6509 1 236 . 1 1 13 13 A H3' H 1 4.847 0.025 . 1 . . . . . . . . 6509 1 237 . 1 1 13 13 A H4' H 1 4.561 0.043 . 1 . . . . . . . . 6509 1 238 . 1 1 13 13 A H5' H 1 4.282 0.003 . 1 . . . . . . . . 6509 1 239 . 1 1 13 13 A H5'' H 1 4.394 0.022 . 1 . . . . . . . . 6509 1 240 . 1 1 13 13 A H8 H 1 8.541 0.011 . 1 . . . . . . . . 6509 1 241 . 1 1 13 13 A N1 N 15 216.306 0.327 . 1 . . . . . . . . 6509 1 242 . 1 1 13 13 A N3 N 15 203.981 0.073 . 1 . . . . . . . . 6509 1 243 . 1 1 13 13 A N6 N 15 76.101 0.010 . 1 . . . . . . . . 6509 1 244 . 1 1 13 13 A N7 N 15 230.183 0.422 . 1 . . . . . . . . 6509 1 245 . 1 1 13 13 A N9 N 15 166.219 0.422 . 1 . . . . . . . . 6509 1 246 . 1 1 13 13 A P P 31 -3.475 0.018 . 1 . . . . . . . . 6509 1 247 . 1 1 14 14 C C1' C 13 95.547 0.061 . 1 . . . . . . . . 6509 1 248 . 1 1 14 14 C C2' C 13 74.119 0.035 . 1 . . . . . . . . 6509 1 249 . 1 1 14 14 C C3' C 13 72.777 0.129 . 1 . . . . . . . . 6509 1 250 . 1 1 14 14 C C4 C 13 155.707 0.0 . 1 . . . . . . . . 6509 1 251 . 1 1 14 14 C C4' C 13 82.199 0.064 . 1 . . . . . . . . 6509 1 252 . 1 1 14 14 C C5 C 13 97.32 0.161 . 1 . . . . . . . . 6509 1 253 . 1 1 14 14 C C5' C 13 65.591 0.011 . 1 . . . . . . . . 6509 1 254 . 1 1 14 14 C C6 C 13 142.209 0.179 . 1 . . . . . . . . 6509 1 255 . 1 1 14 14 C H1' H 1 5.371 0.012 . 1 . . . . . . . . 6509 1 256 . 1 1 14 14 C H2' H 1 4.705 0.009 . 1 . . . . . . . . 6509 1 257 . 1 1 14 14 C H3' H 1 4.564 0.005 . 1 . . . . . . . . 6509 1 258 . 1 1 14 14 C H4' H 1 4.435 0.003 . 1 . . . . . . . . 6509 1 259 . 1 1 14 14 C H41 H 1 7.268 0.037 . 1 . . . . . . . . 6509 1 260 . 1 1 14 14 C H42 H 1 8.575 0.027 . 1 . . . . . . . . 6509 1 261 . 1 1 14 14 C H5 H 1 5.46 0.024 . 1 . . . . . . . . 6509 1 262 . 1 1 14 14 C H5' H 1 4.285 0.009 . 1 . . . . . . . . 6509 1 263 . 1 1 14 14 C H5'' H 1 4.449 0.016 . 1 . . . . . . . . 6509 1 264 . 1 1 14 14 C H6 H 1 7.528 0.021 . 1 . . . . . . . . 6509 1 265 . 1 1 14 14 C HO2' H 1 8.574 0.0 . 1 . . . . . . . . 6509 1 266 . 1 1 14 14 C N1 N 15 149.209 0.013 . 1 . . . . . . . . 6509 1 267 . 1 1 14 14 C N4 N 15 93.911 0.195 . 1 . . . . . . . . 6509 1 268 . 1 1 14 14 C P P 31 -4.191 0.0 . 1 . . . . . . . . 6509 1 269 . 1 1 15 15 C C1' C 13 93.933 0.073 . 1 . . . . . . . . 6509 1 270 . 1 1 15 15 C C2' C 13 74.565 0.077 . 1 . . . . . . . . 6509 1 271 . 1 1 15 15 C C3' C 13 72.229 0.076 . 1 . . . . . . . . 6509 1 272 . 1 1 15 15 C C4 C 13 155.887 0.0 . 1 . . . . . . . . 6509 1 273 . 1 1 15 15 C C4' C 13 82.564 0.033 . 1 . . . . . . . . 6509 1 274 . 1 1 15 15 C C5 C 13 98.381 0.169 . 1 . . . . . . . . 6509 1 275 . 1 1 15 15 C C5' C 13 64.812 0.0 . 1 . . . . . . . . 6509 1 276 . 1 1 15 15 C C6 C 13 142.476 0.205 . 1 . . . . . . . . 6509 1 277 . 1 1 15 15 C H1' H 1 5.911 0.010 . 1 . . . . . . . . 6509 1 278 . 1 1 15 15 C H2' H 1 5.061 0.007 . 1 . . . . . . . . 6509 1 279 . 1 1 15 15 C H3' H 1 4.78 0.005 . 1 . . . . . . . . 6509 1 280 . 1 1 15 15 C H4' H 1 4.593 0.006 . 1 . . . . . . . . 6509 1 281 . 1 1 15 15 C H41 H 1 7.052 0.065 . 1 . . . . . . . . 6509 1 282 . 1 1 15 15 C H42 H 1 8.729 0.024 . 1 . . . . . . . . 6509 1 283 . 1 1 15 15 C H5 H 1 5.589 0.023 . 1 . . . . . . . . 6509 1 284 . 1 1 15 15 C H5' H 1 4.22 0.001 . 1 . . . . . . . . 6509 1 285 . 1 1 15 15 C H5'' H 1 5.036 0.002 . 1 . . . . . . . . 6509 1 286 . 1 1 15 15 C H6 H 1 8.173 0.017 . 1 . . . . . . . . 6509 1 287 . 1 1 15 15 C HO2' H 1 8.98 0.001 . 1 . . . . . . . . 6509 1 288 . 1 1 15 15 C N1 N 15 148.38 0.012 . 1 . . . . . . . . 6509 1 289 . 1 1 15 15 C N4 N 15 95.955 0.099 . 1 . . . . . . . . 6509 1 290 . 1 1 15 15 C P P 31 -4.191 0.001 . 1 . . . . . . . . 6509 1 291 . 1 1 16 16 A C1' C 13 94.589 0.097 . 1 . . . . . . . . 6509 1 292 . 1 1 16 16 A C2 C 13 153.552 0.396 . 1 . . . . . . . . 6509 1 293 . 1 1 16 16 A C2' C 13 75.93 0.024 . 1 . . . . . . . . 6509 1 294 . 1 1 16 16 A C3' C 13 72.485 0.084 . 1 . . . . . . . . 6509 1 295 . 1 1 16 16 A C4' C 13 82.936 0.061 . 1 . . . . . . . . 6509 1 296 . 1 1 16 16 A C5' C 13 64.274 0.146 . 1 . . . . . . . . 6509 1 297 . 1 1 16 16 A C8 C 13 139.446 0.301 . 1 . . . . . . . . 6509 1 298 . 1 1 16 16 A H1' H 1 5.976 0.007 . 1 . . . . . . . . 6509 1 299 . 1 1 16 16 A H2 H 1 7.171 0.015 . 1 . . . . . . . . 6509 1 300 . 1 1 16 16 A H2' H 1 4.598 0.004 . 1 . . . . . . . . 6509 1 301 . 1 1 16 16 A H3' H 1 4.905 0.006 . 1 . . . . . . . . 6509 1 302 . 1 1 16 16 A H4' H 1 4.342 0.005 . 1 . . . . . . . . 6509 1 303 . 1 1 16 16 A H5' H 1 4.115 0.003 . 1 . . . . . . . . 6509 1 304 . 1 1 16 16 A H5'' H 1 4.69 0.003 . 1 . . . . . . . . 6509 1 305 . 1 1 16 16 A H8 H 1 8.035 0.007 . 1 . . . . . . . . 6509 1 306 . 1 1 16 16 A N1 N 15 219.377 0.030 . 1 . . . . . . . . 6509 1 307 . 1 1 16 16 A N3 N 15 211.362 0.063 . 1 . . . . . . . . 6509 1 308 . 1 1 16 16 A N6 N 15 82.887 0.004 . 1 . . . . . . . . 6509 1 309 . 1 1 16 16 A N7 N 15 227.964 0.0 . 1 . . . . . . . . 6509 1 310 . 1 1 16 16 A N9 N 15 168.132 0.076 . 1 . . . . . . . . 6509 1 311 . 1 1 16 16 A P P 31 -3.735 0.006 . 1 . . . . . . . . 6509 1 312 . 1 1 17 17 C C1' C 13 94.274 0.054 . 1 . . . . . . . . 6509 1 313 . 1 1 17 17 C C2' C 13 75.903 0.057 . 1 . . . . . . . . 6509 1 314 . 1 1 17 17 C C3' C 13 74.116 0.040 . 1 . . . . . . . . 6509 1 315 . 1 1 17 17 C C4 C 13 155.046 0.003 . 1 . . . . . . . . 6509 1 316 . 1 1 17 17 C C4' C 13 82.492 0.099 . 1 . . . . . . . . 6509 1 317 . 1 1 17 17 C C5 C 13 97.632 0.209 . 1 . . . . . . . . 6509 1 318 . 1 1 17 17 C C5' C 13 64.879 0.135 . 1 . . . . . . . . 6509 1 319 . 1 1 17 17 C C6 C 13 142.232 0.257 . 1 . . . . . . . . 6509 1 320 . 1 1 17 17 C H1' H 1 5.491 0.006 . 1 . . . . . . . . 6509 1 321 . 1 1 17 17 C H2' H 1 4.538 0.003 . 1 . . . . . . . . 6509 1 322 . 1 1 17 17 C H3' H 1 4.405 0.003 . 1 . . . . . . . . 6509 1 323 . 1 1 17 17 C H4' H 1 4.551 0.006 . 1 . . . . . . . . 6509 1 324 . 1 1 17 17 C H41 H 1 7.254 0.102 . 1 . . . . . . . . 6509 1 325 . 1 1 17 17 C H42 H 1 8.128 0.037 . 1 . . . . . . . . 6509 1 326 . 1 1 17 17 C H5 H 1 5.436 0.008 . 1 . . . . . . . . 6509 1 327 . 1 1 17 17 C H5' H 1 4.2 0.008 . 1 . . . . . . . . 6509 1 328 . 1 1 17 17 C H5'' H 1 4.618 0.010 . 1 . . . . . . . . 6509 1 329 . 1 1 17 17 C H6 H 1 8.099 0.015 . 1 . . . . . . . . 6509 1 330 . 1 1 17 17 C N1 N 15 148.115 0.024 . 1 . . . . . . . . 6509 1 331 . 1 1 17 17 C N4 N 15 95.858 0.149 . 1 . . . . . . . . 6509 1 332 . 1 1 17 17 C P P 31 -4.162 0.007 . 1 . . . . . . . . 6509 1 333 . 1 1 18 18 U C1' C 13 92.539 0.0 . 1 . . . . . . . . 6509 1 334 . 1 1 18 18 U C2' C 13 76.845 0.032 . 1 . . . . . . . . 6509 1 335 . 1 1 18 18 U C3' C 13 80.528 0.053 . 1 . . . . . . . . 6509 1 336 . 1 1 18 18 U C4' C 13 86.928 0.084 . 1 . . . . . . . . 6509 1 337 . 1 1 18 18 U C5 C 13 104.216 0.0 . 1 . . . . . . . . 6509 1 338 . 1 1 18 18 U C5' C 13 68.129 0.072 . 1 . . . . . . . . 6509 1 339 . 1 1 18 18 U C6 C 13 143.761 0.219 . 1 . . . . . . . . 6509 1 340 . 1 1 18 18 U H1' H 1 5.787 0.0 . 1 . . . . . . . . 6509 1 341 . 1 1 18 18 U H2' H 1 4.318 0.005 . 1 . . . . . . . . 6509 1 342 . 1 1 18 18 U H3 H 1 14.202 0.091 . 1 . . . . . . . . 6509 1 343 . 1 1 18 18 U H3' H 1 4.676 0.005 . 1 . . . . . . . . 6509 1 344 . 1 1 18 18 U H4' H 1 4.352 0.005 . 1 . . . . . . . . 6509 1 345 . 1 1 18 18 U H5 H 1 5.305 0.005 . 1 . . . . . . . . 6509 1 346 . 1 1 18 18 U H5' H 1 4.018 0.003 . 1 . . . . . . . . 6509 1 347 . 1 1 18 18 U H5'' H 1 4.578 0.007 . 1 . . . . . . . . 6509 1 348 . 1 1 18 18 U H6 H 1 7.894 0.019 . 1 . . . . . . . . 6509 1 349 . 1 1 18 18 U N1 N 15 140.639 0.160 . 1 . . . . . . . . 6509 1 350 . 1 1 18 18 U N3 N 15 158.928 0.078 . 1 . . . . . . . . 6509 1 351 . 1 1 18 18 U P P 31 -4.974 0.030 . 1 . . . . . . . . 6509 1 352 . 1 1 19 19 U C1' C 13 88.389 0.078 . 1 . . . . . . . . 6509 1 353 . 1 1 19 19 U C2' C 13 77.067 0.044 . 1 . . . . . . . . 6509 1 354 . 1 1 19 19 U C3' C 13 78.91 0.054 . 1 . . . . . . . . 6509 1 355 . 1 1 19 19 U C4' C 13 83.904 0.143 . 1 . . . . . . . . 6509 1 356 . 1 1 19 19 U C5 C 13 107.561 0.0 . 1 . . . . . . . . 6509 1 357 . 1 1 19 19 U C5' C 13 68.511 0.047 . 1 . . . . . . . . 6509 1 358 . 1 1 19 19 U C6 C 13 142.514 0.180 . 1 . . . . . . . . 6509 1 359 . 1 1 19 19 U H1' H 1 5.237 0.013 . 1 . . . . . . . . 6509 1 360 . 1 1 19 19 U H2' H 1 3.95 0.014 . 1 . . . . . . . . 6509 1 361 . 1 1 19 19 U H3 H 1 10.906 0.102 . 1 . . . . . . . . 6509 1 362 . 1 1 19 19 U H3' H 1 4.429 0.004 . 1 . . . . . . . . 6509 1 363 . 1 1 19 19 U H4' H 1 3.901 0.035 . 1 . . . . . . . . 6509 1 364 . 1 1 19 19 U H5 H 1 6.327 0.011 . 1 . . . . . . . . 6509 1 365 . 1 1 19 19 U H5' H 1 3.352 0.006 . 1 . . . . . . . . 6509 1 366 . 1 1 19 19 U H5'' H 1 3.657 0.064 . 1 . . . . . . . . 6509 1 367 . 1 1 19 19 U H6 H 1 7.357 0.012 . 1 . . . . . . . . 6509 1 368 . 1 1 19 19 U N1 N 15 139.494 0.031 . 1 . . . . . . . . 6509 1 369 . 1 1 19 19 U N3 N 15 155.779 0.001 . 1 . . . . . . . . 6509 1 370 . 1 1 19 19 U P P 31 -5.018 0.009 . 1 . . . . . . . . 6509 1 371 . 1 1 20 20 A C1' C 13 89.177 0.114 . 1 . . . . . . . . 6509 1 372 . 1 1 20 20 A C2 C 13 155.944 0.223 . 1 . . . . . . . . 6509 1 373 . 1 1 20 20 A C2' C 13 74.613 0.069 . 1 . . . . . . . . 6509 1 374 . 1 1 20 20 A C3' C 13 77.404 0.093 . 1 . . . . . . . . 6509 1 375 . 1 1 20 20 A C4' C 13 84.401 0.042 . 1 . . . . . . . . 6509 1 376 . 1 1 20 20 A C5' C 13 70.35 0.053 . 1 . . . . . . . . 6509 1 377 . 1 1 20 20 A C8 C 13 141.321 0.362 . 1 . . . . . . . . 6509 1 378 . 1 1 20 20 A H1' H 1 5.176 0.014 . 1 . . . . . . . . 6509 1 379 . 1 1 20 20 A H2 H 1 8.109 0.015 . 1 . . . . . . . . 6509 1 380 . 1 1 20 20 A H2' H 1 4.562 0.011 . 1 . . . . . . . . 6509 1 381 . 1 1 20 20 A H3' H 1 4.739 0.006 . 1 . . . . . . . . 6509 1 382 . 1 1 20 20 A H4' H 1 4.27 0.005 . 1 . . . . . . . . 6509 1 383 . 1 1 20 20 A H5' H 1 3.762 0.005 . 1 . . . . . . . . 6509 1 384 . 1 1 20 20 A H5'' H 1 4.01 0.039 . 1 . . . . . . . . 6509 1 385 . 1 1 20 20 A H8 H 1 8.13 0.013 . 1 . . . . . . . . 6509 1 386 . 1 1 20 20 A N1 N 15 226.703 0.027 . 1 . . . . . . . . 6509 1 387 . 1 1 20 20 A N3 N 15 213.403 0.090 . 1 . . . . . . . . 6509 1 388 . 1 1 20 20 A N7 N 15 231.153 0.0 . 1 . . . . . . . . 6509 1 389 . 1 1 20 20 A N9 N 15 166.812 0.041 . 1 . . . . . . . . 6509 1 390 . 1 1 20 20 A P P 31 -4.279 0.010 . 1 . . . . . . . . 6509 1 391 . 1 1 21 21 A HO2' H 1 7.01 0.006 . 1 . . . . . . . . 6509 1 392 . 1 1 21 21 A C1' C 13 86.638 0.084 . 1 . . . . . . . . 6509 1 393 . 1 1 21 21 A C2 C 13 154.565 0.374 . 1 . . . . . . . . 6509 1 394 . 1 1 21 21 A C2' C 13 74.835 0.098 . 1 . . . . . . . . 6509 1 395 . 1 1 21 21 A C3' C 13 77.13 0.054 . 1 . . . . . . . . 6509 1 396 . 1 1 21 21 A C4' C 13 85.122 0.082 . 1 . . . . . . . . 6509 1 397 . 1 1 21 21 A C5' C 13 68.613 0.045 . 1 . . . . . . . . 6509 1 398 . 1 1 21 21 A C6 C 13 156.943 0.004 . 1 . . . . . . . . 6509 1 399 . 1 1 21 21 A C8 C 13 141.252 0.312 . 1 . . . . . . . . 6509 1 400 . 1 1 21 21 A H1' H 1 5.672 0.010 . 1 . . . . . . . . 6509 1 401 . 1 1 21 21 A H2 H 1 6.968 0.011 . 1 . . . . . . . . 6509 1 402 . 1 1 21 21 A H2' H 1 4.879 0.007 . 1 . . . . . . . . 6509 1 403 . 1 1 21 21 A H3' H 1 4.885 0.006 . 1 . . . . . . . . 6509 1 404 . 1 1 21 21 A H4' H 1 4.969 0.005 . 1 . . . . . . . . 6509 1 405 . 1 1 21 21 A H5' H 1 4.262 0.007 . 1 . . . . . . . . 6509 1 406 . 1 1 21 21 A H5'' H 1 4.329 0.010 . 1 . . . . . . . . 6509 1 407 . 1 1 21 21 A H61 H 1 6.333 0.018 . 1 . . . . . . . . 6509 1 408 . 1 1 21 21 A H62 H 1 7.502 0.022 . 1 . . . . . . . . 6509 1 409 . 1 1 21 21 A H8 H 1 8.057 0.010 . 1 . . . . . . . . 6509 1 410 . 1 1 21 21 A N1 N 15 218.648 0.047 . 1 . . . . . . . . 6509 1 411 . 1 1 21 21 A N3 N 15 212.363 0.060 . 1 . . . . . . . . 6509 1 412 . 1 1 21 21 A N6 N 15 80.198 0.027 . 1 . . . . . . . . 6509 1 413 . 1 1 21 21 A N7 N 15 226.171 0.0 . 1 . . . . . . . . 6509 1 414 . 1 1 21 21 A N9 N 15 160.253 0.062 . 1 . . . . . . . . 6509 1 415 . 1 1 21 21 A P P 31 -3.443 0.014 . 1 . . . . . . . . 6509 1 416 . 1 1 22 22 A C1' C 13 96.201 0.059 . 1 . . . . . . . . 6509 1 417 . 1 1 22 22 A C2 C 13 155.073 0.0 . 1 . . . . . . . . 6509 1 418 . 1 1 22 22 A C2' C 13 75.616 0.082 . 1 . . . . . . . . 6509 1 419 . 1 1 22 22 A C3' C 13 74.886 0.050 . 1 . . . . . . . . 6509 1 420 . 1 1 22 22 A C4' C 13 84.622 0.084 . 1 . . . . . . . . 6509 1 421 . 1 1 22 22 A C5' C 13 69.872 0.067 . 1 . . . . . . . . 6509 1 422 . 1 1 22 22 A C6 C 13 156.466 0.003 . 1 . . . . . . . . 6509 1 423 . 1 1 22 22 A C8 C 13 141.021 0.332 . 1 . . . . . . . . 6509 1 424 . 1 1 22 22 A H1' H 1 6.18 0.003 . 1 . . . . . . . . 6509 1 425 . 1 1 22 22 A H2 H 1 7.967 0.028 . 1 . . . . . . . . 6509 1 426 . 1 1 22 22 A H2' H 1 4.422 0.009 . 1 . . . . . . . . 6509 1 427 . 1 1 22 22 A H3' H 1 4.441 0.005 . 1 . . . . . . . . 6509 1 428 . 1 1 22 22 A H4' H 1 4.698 0.004 . 1 . . . . . . . . 6509 1 429 . 1 1 22 22 A H5' H 1 4.449 0.028 . 1 . . . . . . . . 6509 1 430 . 1 1 22 22 A H5'' H 1 4.532 0.025 . 1 . . . . . . . . 6509 1 431 . 1 1 22 22 A H61 H 1 6.531 0.083 . 1 . . . . . . . . 6509 1 432 . 1 1 22 22 A H62 H 1 8.413 0.481 . 1 . . . . . . . . 6509 1 433 . 1 1 22 22 A H8 H 1 8.166 0.015 . 1 . . . . . . . . 6509 1 434 . 1 1 22 22 A N1 N 15 219.373 1.057 . 1 . . . . . . . . 6509 1 435 . 1 1 22 22 A N3 N 15 213.142 0.114 . 1 . . . . . . . . 6509 1 436 . 1 1 22 22 A N6 N 15 80.872 0.156 . 1 . . . . . . . . 6509 1 437 . 1 1 22 22 A N7 N 15 224.236 0.036 . 1 . . . . . . . . 6509 1 438 . 1 1 22 22 A N9 N 15 167.262 0.106 . 1 . . . . . . . . 6509 1 439 . 1 1 22 22 A P P 31 -4.025 0.005 . 1 . . . . . . . . 6509 1 440 . 1 1 23 23 A C1' C 13 92.274 0.034 . 1 . . . . . . . . 6509 1 441 . 1 1 23 23 A C2 C 13 156.173 0.403 . 1 . . . . . . . . 6509 1 442 . 1 1 23 23 A C2' C 13 76.687 0.049 . 1 . . . . . . . . 6509 1 443 . 1 1 23 23 A C3' C 13 72.466 0.124 . 1 . . . . . . . . 6509 1 444 . 1 1 23 23 A C4' C 13 82.562 0.062 . 1 . . . . . . . . 6509 1 445 . 1 1 23 23 A C5' C 13 65.262 0.098 . 1 . . . . . . . . 6509 1 446 . 1 1 23 23 A C8 C 13 141.372 0.369 . 1 . . . . . . . . 6509 1 447 . 1 1 23 23 A H1' H 1 5.653 0.007 . 1 . . . . . . . . 6509 1 448 . 1 1 23 23 A H2 H 1 7.731 0.009 . 1 . . . . . . . . 6509 1 449 . 1 1 23 23 A H2' H 1 3.608 0.006 . 1 . . . . . . . . 6509 1 450 . 1 1 23 23 A H3' H 1 5.005 0.006 . 1 . . . . . . . . 6509 1 451 . 1 1 23 23 A H4' H 1 4.399 0.008 . 1 . . . . . . . . 6509 1 452 . 1 1 23 23 A H5' H 1 4.188 0.003 . 1 . . . . . . . . 6509 1 453 . 1 1 23 23 A H5'' H 1 4.546 0.002 . 1 . . . . . . . . 6509 1 454 . 1 1 23 23 A H8 H 1 8.346 0.024 . 1 . . . . . . . . 6509 1 455 . 1 1 23 23 A N1 N 15 223.379 0.062 . 1 . . . . . . . . 6509 1 456 . 1 1 23 23 A N3 N 15 212.858 0.076 . 1 . . . . . . . . 6509 1 457 . 1 1 23 23 A N6 N 15 77.846 0.006 . 1 . . . . . . . . 6509 1 458 . 1 1 23 23 A N7 N 15 228.114 0.028 . 1 . . . . . . . . 6509 1 459 . 1 1 23 23 A N9 N 15 169.176 0.036 . 1 . . . . . . . . 6509 1 460 . 1 1 23 23 A P P 31 -4.431 0.013 . 1 . . . . . . . . 6509 1 461 . 1 1 24 24 A C1' C 13 85.857 0.058 . 1 . . . . . . . . 6509 1 462 . 1 1 24 24 A C2 C 13 154.777 0.380 . 1 . . . . . . . . 6509 1 463 . 1 1 24 24 A C2' C 13 73.299 0.051 . 1 . . . . . . . . 6509 1 464 . 1 1 24 24 A C3' C 13 77.552 0.031 . 1 . . . . . . . . 6509 1 465 . 1 1 24 24 A C4' C 13 87.413 0.057 . 1 . . . . . . . . 6509 1 466 . 1 1 24 24 A C5' C 13 67.921 0.013 . 1 . . . . . . . . 6509 1 467 . 1 1 24 24 A C8 C 13 141.465 0.235 . 1 . . . . . . . . 6509 1 468 . 1 1 24 24 A H1' H 1 5.785 0.009 . 1 . . . . . . . . 6509 1 469 . 1 1 24 24 A H2 H 1 7.916 0.101 . 1 . . . . . . . . 6509 1 470 . 1 1 24 24 A H2' H 1 4.684 0.005 . 1 . . . . . . . . 6509 1 471 . 1 1 24 24 A H3' H 1 4.862 0.004 . 1 . . . . . . . . 6509 1 472 . 1 1 24 24 A H4' H 1 4.45 0.005 . 1 . . . . . . . . 6509 1 473 . 1 1 24 24 A H5' H 1 4.099 0.007 . 1 . . . . . . . . 6509 1 474 . 1 1 24 24 A H5'' H 1 4.157 0.001 . 1 . . . . . . . . 6509 1 475 . 1 1 24 24 A H8 H 1 7.835 0.013 . 1 . . . . . . . . 6509 1 476 . 1 1 24 24 A N1 N 15 218.946 0.047 . 1 . . . . . . . . 6509 1 477 . 1 1 24 24 A N3 N 15 211.792 0.082 . 1 . . . . . . . . 6509 1 478 . 1 1 24 24 A N6 N 15 77.429 0.009 . 1 . . . . . . . . 6509 1 479 . 1 1 24 24 A N7 N 15 230.465 0.0 . 1 . . . . . . . . 6509 1 480 . 1 1 24 24 A N9 N 15 162.106 0.054 . 1 . . . . . . . . 6509 1 481 . 1 1 24 24 A P P 31 -3.862 0.029 . 1 . . . . . . . . 6509 1 482 . 1 1 25 25 C C1' C 13 94.066 0.063 . 1 . . . . . . . . 6509 1 483 . 1 1 25 25 C C2' C 13 76.401 0.051 . 1 . . . . . . . . 6509 1 484 . 1 1 25 25 C C3' C 13 74.872 0.034 . 1 . . . . . . . . 6509 1 485 . 1 1 25 25 C C4' C 13 83.419 0.062 . 1 . . . . . . . . 6509 1 486 . 1 1 25 25 C C5 C 13 99.101 0.285 . 1 . . . . . . . . 6509 1 487 . 1 1 25 25 C C5' C 13 66.798 0.083 . 1 . . . . . . . . 6509 1 488 . 1 1 25 25 C C6 C 13 144.803 0.218 . 1 . . . . . . . . 6509 1 489 . 1 1 25 25 C H1' H 1 5.916 0.006 . 1 . . . . . . . . 6509 1 490 . 1 1 25 25 C H2' H 1 4.483 0.011 . 1 . . . . . . . . 6509 1 491 . 1 1 25 25 C H3' H 1 4.587 0.010 . 1 . . . . . . . . 6509 1 492 . 1 1 25 25 C H4' H 1 4.52 0.007 . 1 . . . . . . . . 6509 1 493 . 1 1 25 25 C H5 H 1 6.169 0.013 . 1 . . . . . . . . 6509 1 494 . 1 1 25 25 C H5' H 1 4.323 0.007 . 1 . . . . . . . . 6509 1 495 . 1 1 25 25 C H5'' H 1 4.477 0.009 . 1 . . . . . . . . 6509 1 496 . 1 1 25 25 C H6 H 1 7.969 0.018 . 1 . . . . . . . . 6509 1 497 . 1 1 25 25 C N1 N 15 149.924 0.045 . 1 . . . . . . . . 6509 1 498 . 1 1 25 25 C P P 31 -3.817 0.008 . 1 . . . . . . . . 6509 1 499 . 1 1 26 26 A C1' C 13 94.042 0.067 . 1 . . . . . . . . 6509 1 500 . 1 1 26 26 A C2 C 13 155.276 0.321 . 1 . . . . . . . . 6509 1 501 . 1 1 26 26 A C2' C 13 75.803 0.079 . 1 . . . . . . . . 6509 1 502 . 1 1 26 26 A C3' C 13 75.781 0.073 . 1 . . . . . . . . 6509 1 503 . 1 1 26 26 A C4' C 13 83.012 0.106 . 1 . . . . . . . . 6509 1 504 . 1 1 26 26 A C5' C 13 67.358 0.031 . 1 . . . . . . . . 6509 1 505 . 1 1 26 26 A C6 C 13 157.952 0.004 . 1 . . . . . . . . 6509 1 506 . 1 1 26 26 A C8 C 13 141.043 0.308 . 1 . . . . . . . . 6509 1 507 . 1 1 26 26 A H1' H 1 5.767 0.005 . 1 . . . . . . . . 6509 1 508 . 1 1 26 26 A H2 H 1 7.595 0.007 . 1 . . . . . . . . 6509 1 509 . 1 1 26 26 A H2' H 1 4.454 0.006 . 1 . . . . . . . . 6509 1 510 . 1 1 26 26 A H3' H 1 4.368 0.003 . 1 . . . . . . . . 6509 1 511 . 1 1 26 26 A H4' H 1 4.585 0.011 . 1 . . . . . . . . 6509 1 512 . 1 1 26 26 A H5' H 1 4.316 0.007 . 1 . . . . . . . . 6509 1 513 . 1 1 26 26 A H5'' H 1 4.439 0.006 . 1 . . . . . . . . 6509 1 514 . 1 1 26 26 A H61 H 1 6.787 0.016 . 1 . . . . . . . . 6509 1 515 . 1 1 26 26 A H62 H 1 8.503 0.032 . 1 . . . . . . . . 6509 1 516 . 1 1 26 26 A H8 H 1 7.791 0.010 . 1 . . . . . . . . 6509 1 517 . 1 1 26 26 A N1 N 15 223.701 0.061 . 1 . . . . . . . . 6509 1 518 . 1 1 26 26 A N3 N 15 213.618 0.053 . 1 . . . . . . . . 6509 1 519 . 1 1 26 26 A N6 N 15 79.857 0.180 . 1 . . . . . . . . 6509 1 520 . 1 1 26 26 A N7 N 15 223.377 0.083 . 1 . . . . . . . . 6509 1 521 . 1 1 26 26 A N9 N 15 166.361 0.038 . 1 . . . . . . . . 6509 1 522 . 1 1 26 26 A P P 31 -4.581 0.018 . 1 . . . . . . . . 6509 1 523 . 1 1 27 27 C C1' C 13 94.383 0.039 . 1 . . . . . . . . 6509 1 524 . 1 1 27 27 C C2' C 13 76.692 0.047 . 1 . . . . . . . . 6509 1 525 . 1 1 27 27 C C3' C 13 72.487 0.068 . 1 . . . . . . . . 6509 1 526 . 1 1 27 27 C C4 C 13 154.18 0.004 . 1 . . . . . . . . 6509 1 527 . 1 1 27 27 C C4' C 13 81.754 0.116 . 1 . . . . . . . . 6509 1 528 . 1 1 27 27 C C5 C 13 99.334 0.315 . 1 . . . . . . . . 6509 1 529 . 1 1 27 27 C C5' C 13 64.539 0.040 . 1 . . . . . . . . 6509 1 530 . 1 1 27 27 C C6 C 13 142.498 0.185 . 1 . . . . . . . . 6509 1 531 . 1 1 27 27 C H1' H 1 5.977 0.005 . 1 . . . . . . . . 6509 1 532 . 1 1 27 27 C H2' H 1 4.293 0.002 . 1 . . . . . . . . 6509 1 533 . 1 1 27 27 C H3' H 1 4.515 0.009 . 1 . . . . . . . . 6509 1 534 . 1 1 27 27 C H4' H 1 4.485 0.008 . 1 . . . . . . . . 6509 1 535 . 1 1 27 27 C H41 H 1 5.976 0.026 . 1 . . . . . . . . 6509 1 536 . 1 1 27 27 C H42 H 1 7.312 0.025 . 1 . . . . . . . . 6509 1 537 . 1 1 27 27 C H5 H 1 5.486 0.015 . 1 . . . . . . . . 6509 1 538 . 1 1 27 27 C H5' H 1 4.148 0.020 . 1 . . . . . . . . 6509 1 539 . 1 1 27 27 C H5'' H 1 4.681 0.007 . 1 . . . . . . . . 6509 1 540 . 1 1 27 27 C H6 H 1 7.851 0.014 . 1 . . . . . . . . 6509 1 541 . 1 1 27 27 C N1 N 15 152.724 0.008 . 1 . . . . . . . . 6509 1 542 . 1 1 27 27 C N4 N 15 93.624 0.168 . 1 . . . . . . . . 6509 1 543 . 1 1 27 27 C P P 31 -4.916 0.0 . 1 . . . . . . . . 6509 1 544 . 1 1 28 28 C C1' C 13 94.06 0.049 . 1 . . . . . . . . 6509 1 545 . 1 1 28 28 C C2' C 13 75.725 0.062 . 1 . . . . . . . . 6509 1 546 . 1 1 28 28 C C3' C 13 72.304 0.025 . 1 . . . . . . . . 6509 1 547 . 1 1 28 28 C C4 C 13 155.371 0.0 . 1 . . . . . . . . 6509 1 548 . 1 1 28 28 C C4' C 13 82.293 0.223 . 1 . . . . . . . . 6509 1 549 . 1 1 28 28 C C5 C 13 99.25 0.183 . 1 . . . . . . . . 6509 1 550 . 1 1 28 28 C C5' C 13 64.517 0.016 . 1 . . . . . . . . 6509 1 551 . 1 1 28 28 C C6 C 13 140.452 0.297 . 1 . . . . . . . . 6509 1 552 . 1 1 28 28 C H1' H 1 5.799 0.010 . 1 . . . . . . . . 6509 1 553 . 1 1 28 28 C H2' H 1 4.494 0.003 . 1 . . . . . . . . 6509 1 554 . 1 1 28 28 C H3' H 1 4.688 0.004 . 1 . . . . . . . . 6509 1 555 . 1 1 28 28 C H4' H 1 4.483 0.009 . 1 . . . . . . . . 6509 1 556 . 1 1 28 28 C H41 H 1 7.281 0.038 . 1 . . . . . . . . 6509 1 557 . 1 1 28 28 C H42 H 1 8.107 0.032 . 1 . . . . . . . . 6509 1 558 . 1 1 28 28 C H5 H 1 5.708 0.016 . 1 . . . . . . . . 6509 1 559 . 1 1 28 28 C H5' H 1 4.152 0.009 . 1 . . . . . . . . 6509 1 560 . 1 1 28 28 C H5'' H 1 4.487 0.0 . 1 . . . . . . . . 6509 1 561 . 1 1 28 28 C H6 H 1 7.846 0.008 . 1 . . . . . . . . 6509 1 562 . 1 1 28 28 C N1 N 15 147.809 0.029 . 1 . . . . . . . . 6509 1 563 . 1 1 28 28 C N4 N 15 97.253 0.126 . 1 . . . . . . . . 6509 1 564 . 1 1 28 28 C P P 31 -3.877 0.0 . 1 . . . . . . . . 6509 1 565 . 1 1 29 29 G C1' C 13 92.704 0.045 . 1 . . . . . . . . 6509 1 566 . 1 1 29 29 G C2 C 13 155.72 0.0 . 1 . . . . . . . . 6509 1 567 . 1 1 29 29 G C2' C 13 75.883 0.052 . 1 . . . . . . . . 6509 1 568 . 1 1 29 29 G C3' C 13 73.245 0.151 . 1 . . . . . . . . 6509 1 569 . 1 1 29 29 G C4' C 13 82.187 0.043 . 1 . . . . . . . . 6509 1 570 . 1 1 29 29 G C5' C 13 67.432 0.0 . 1 . . . . . . . . 6509 1 571 . 1 1 29 29 G C6 C 13 161.373 0.0 . 1 . . . . . . . . 6509 1 572 . 1 1 29 29 G C8 C 13 136.332 0.323 . 1 . . . . . . . . 6509 1 573 . 1 1 29 29 G H1 H 1 12.827 0.054 . 1 . . . . . . . . 6509 1 574 . 1 1 29 29 G H1' H 1 5.792 0.019 . 1 . . . . . . . . 6509 1 575 . 1 1 29 29 G H2' H 1 4.745 0.008 . 1 . . . . . . . . 6509 1 576 . 1 1 29 29 G H3' H 1 4.701 0.0 . 1 . . . . . . . . 6509 1 577 . 1 1 29 29 G H4' H 1 4.516 0.004 . 1 . . . . . . . . 6509 1 578 . 1 1 29 29 G H5' H 1 4.162 0.003 . 1 . . . . . . . . 6509 1 579 . 1 1 29 29 G H5'' H 1 4.58 0.005 . 1 . . . . . . . . 6509 1 580 . 1 1 29 29 G H8 H 1 7.73 0.010 . 1 . . . . . . . . 6509 1 581 . 1 1 29 29 G N1 N 15 143.821 0.003 . 1 . . . . . . . . 6509 1 582 . 1 1 29 29 G N7 N 15 231.471 0.208 . 1 . . . . . . . . 6509 1 583 . 1 1 29 29 G N9 N 15 166.674 0.072 . 1 . . . . . . . . 6509 1 584 . 1 1 29 29 G P P 31 -3.848 0.015 . 1 . . . . . . . . 6509 1 585 . 1 1 30 30 G C1' C 13 93.322 0.105 . 1 . . . . . . . . 6509 1 586 . 1 1 30 30 G C2' C 13 76.129 0.146 . 1 . . . . . . . . 6509 1 587 . 1 1 30 30 G C3' C 13 73.541 0.042 . 1 . . . . . . . . 6509 1 588 . 1 1 30 30 G C4' C 13 82.729 0.087 . 1 . . . . . . . . 6509 1 589 . 1 1 30 30 G C5' C 13 65.888 0.0 . 1 . . . . . . . . 6509 1 590 . 1 1 30 30 G C8 C 13 136.481 0.0 . 1 . . . . . . . . 6509 1 591 . 1 1 30 30 G H1 H 1 12.718 0.100 . 1 . . . . . . . . 6509 1 592 . 1 1 30 30 G H1' H 1 5.691 0.028 . 1 . . . . . . . . 6509 1 593 . 1 1 30 30 G H2' H 1 4.265 0.026 . 1 . . . . . . . . 6509 1 594 . 1 1 30 30 G H3' H 1 4.545 0.030 . 1 . . . . . . . . 6509 1 595 . 1 1 30 30 G H4' H 1 4.443 0.005 . 1 . . . . . . . . 6509 1 596 . 1 1 30 30 G H5' H 1 4.119 0.0 . 1 . . . . . . . . 6509 1 597 . 1 1 30 30 G H5'' H 1 4.549 0.0 . 1 . . . . . . . . 6509 1 598 . 1 1 30 30 G H8 H 1 7.264 0.060 . 1 . . . . . . . . 6509 1 599 . 1 1 30 30 G N1 N 15 145.556 0.019 . 1 . . . . . . . . 6509 1 600 . 1 1 30 30 G N7 N 15 230.41 0.0 . 1 . . . . . . . . 6509 1 601 . 1 1 30 30 G N9 N 15 166.315 0.060 . 1 . . . . . . . . 6509 1 602 . 1 1 30 30 G P P 31 -3.71 0.013 . 1 . . . . . . . . 6509 1 603 . 1 1 31 31 A H8 H 1 8.213 0.003 . 1 . . . . . . . . 6509 1 604 . 1 1 31 31 A P P 31 -4.261 0.0 . 1 . . . . . . . . 6509 1 stop_ save_