data_15869 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15869 _Entry.Title ; NMR Assignments of HIV-2 TAR RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-09 _Entry.Accession_date 2008-07-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details "nearly complete assignment for all 1H, 13C, 31P, and 15N resonances in the 30-nucleotide stem-loop HIV-2 TAR RNA located at the 5' end of all viral mRNAs" _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 Teresa Carlomagno . . . 15869 2 Irene Amata . . . 15869 3 James Williamson . R. . 15869 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15869 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 15869 '15N chemical shifts' 47 15869 '1H chemical shifts' 272 15869 '31P chemical shifts' 29 15869 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 3 . . 2009-08-18 2008-07-09 update BMRB 'added PubMed ID' 15869 2 . . 2008-12-03 2008-07-09 update BMRB 'complete entry citation' 15869 1 . . 2008-10-15 2008-07-09 original author 'original release' 15869 stop_ save_ ############### # Citations # ############### save_entry_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_1 _Citation.Entry_ID 15869 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636896 _Citation.Full_citation . _Citation.Title 'NMR Assignments of HIV-2 TAR RNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 167 _Citation.Page_last 169 _Citation.Year 2008 _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 Teresa Carlomagno . . . 15869 1 2 Irene Amata . . . 15869 1 3 James Williamson . R. . 15869 1 4 Mirko Hennig . . . 15869 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HIV-2 15869 1 'RNA resonance assignments' 15869 1 'RNA synthesis' 15869 1 TAR 15869 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15869 _Assembly.ID 1 _Assembly.Name 'single polyribonucleotide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $HIV-2_TAR A . yes native no no . . . 15869 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 yes PDB 1aju . . 'solution NMR' . 'HIV-2 TAR argininamide complex, 20 structures' . 15869 1 yes PDB 1akx . . 'solution NMR' . 'HIV-2 TAR argininamide complex, average structure' . 15869 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-2_TAR _Entity.Sf_category entity _Entity.Sf_framecode HIV-2_TAR _Entity.Entry_ID 15869 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIV-2_TAR _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 ; GGCCAGAUUGAGCCUGGGAG CUCUCUGGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'nucleotides 16-46 are numbered consecutively; bulged residue 24 is omitted to allow for comparison with HIV-1 TAR' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; HIV-2 TAR: two nucleotide bulge (U23U25) HIV-1 TAR: three nucleotide bulge (e.g. U23U24U25) ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 16 G . 15869 1 2 17 G . 15869 1 3 18 C . 15869 1 4 19 C . 15869 1 5 20 A . 15869 1 6 21 G . 15869 1 7 22 A . 15869 1 8 23 U . 15869 1 9 25 U . 15869 1 10 26 G . 15869 1 11 27 A . 15869 1 12 28 G . 15869 1 13 29 C . 15869 1 14 30 C . 15869 1 15 31 U . 15869 1 16 32 G . 15869 1 17 33 G . 15869 1 18 34 G . 15869 1 19 35 A . 15869 1 20 36 G . 15869 1 21 37 C . 15869 1 22 38 U . 15869 1 23 39 C . 15869 1 24 40 U . 15869 1 25 41 C . 15869 1 26 42 U . 15869 1 27 43 G . 15869 1 28 44 G . 15869 1 29 45 C . 15869 1 30 46 C . 15869 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 15869 1 . G 2 2 15869 1 . C 3 3 15869 1 . C 4 4 15869 1 . A 5 5 15869 1 . G 6 6 15869 1 . A 7 7 15869 1 . U 8 8 15869 1 . U 9 9 15869 1 . G 10 10 15869 1 . A 11 11 15869 1 . G 12 12 15869 1 . C 13 13 15869 1 . C 14 14 15869 1 . U 15 15 15869 1 . G 16 16 15869 1 . G 17 17 15869 1 . G 18 18 15869 1 . A 19 19 15869 1 . G 20 20 15869 1 . C 21 21 15869 1 . U 22 22 15869 1 . C 23 23 15869 1 . U 24 24 15869 1 . C 25 25 15869 1 . U 26 26 15869 1 . G 27 27 15869 1 . G 28 28 15869 1 . C 29 29 15869 1 . C 30 30 15869 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 15869 _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 $HIV-2_TAR . 11709 virus . HIV HIV . . Viruses . Lentivirus 'Human immunodeficiency virus 2' HIV-2 . . . . . . . . . . . . . . . . . . . . 15869 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 15869 _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 $HIV-2_TAR . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'DNA template-directed in vitro transcription using T7 RNA polymerase' . . 15869 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15869 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM Na-phosphate (pH 6.4) 50 mM NaCl 0.1 mM EDTA ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-2 TAR' '[U-99% 13C; U-99% 15N]' . . 1 $HIV-2_TAR . . 1 . . mM . . . . 15869 1 2 Na-phosphate 'natural abundance' . . . . . . 10 . . mM . . . . 15869 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15869 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15869 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15869 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15869 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15869 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM Na-phosphate (pH 6.4) 50 mM NaCl 0.1 mM EDTA ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-2 TAR' '[U-99% 13C; U-99% 15N]' . . 1 $HIV-2_TAR . . 1 . . mM . . . . 15869 2 2 Na-phosphate 'natural abundance' . . . . . . 10 . . mM . . . . 15869 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15869 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15869 2 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15869 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15869 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM Na-phosphate (pH 6.4) 50 mM NaCl 0.1 mM EDTA ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-2 TAR' 'natural abundance' . . 1 $HIV-2_TAR . . 2 . . mM . . . . 15869 3 2 Na-phosphate 'natural abundance' . . . . . . 10 . . mM . . . . 15869 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15869 3 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15869 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15869 3 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15869 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15869 _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 . M 15869 1 pH 6.4 . pH 15869 1 pressure 1 . atm 15869 1 temperature 298 . K 15869 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15869 _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 . M 15869 2 pH 6.4 . pH 15869 2 pressure 1 . atm 15869 2 temperature 278 . K 15869 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15869 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15869 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15869 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15869 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15869 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15869 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15869 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15869 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15869 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15869 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15869 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15869 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15869 1 2 spectrometer_2 Bruker DRX . 800 . . . 15869 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 15869 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15869 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15869 1 3 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15869 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15869 1 5 '2D DQF-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15869 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15869 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15869 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15869 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15869 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 15869 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15869 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D DQF-COSY' . . . 15869 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 5.83 0.01 . 1 . . . . 16 G H1' . 15869 1 2 . 1 1 1 1 G H2' H 1 4.96 0.01 . 1 . . . . 16 G H2' . 15869 1 3 . 1 1 1 1 G H3' H 1 4.77 0.01 . 1 . . . . 16 G H3' . 15869 1 4 . 1 1 1 1 G H4' H 1 4.58 0.01 . 1 . . . . 16 G H4' . 15869 1 5 . 1 1 1 1 G H5' H 1 4.42 0.01 . 2 . . . . 16 G H5' . 15869 1 6 . 1 1 1 1 G H5'' H 1 4.3 0.01 . 2 . . . . 16 G H5'' . 15869 1 7 . 1 1 1 1 G H8 H 1 8.16 0.01 . 1 . . . . 16 G H8 . 15869 1 8 . 1 1 1 1 G C1' C 13 88.3 0.15 . 1 . . . . 16 G C1' . 15869 1 9 . 1 1 1 1 G C2' C 13 72.2 0.15 . 1 . . . . 16 G C2' . 15869 1 10 . 1 1 1 1 G C3' C 13 72.4 0.15 . 1 . . . . 16 G C3' . 15869 1 11 . 1 1 1 1 G C4 C 13 150.6 0.1 . 1 . . . . 16 G C4 . 15869 1 12 . 1 1 1 1 G C4' C 13 81 0.15 . 1 . . . . 16 G C4' . 15869 1 13 . 1 1 1 1 G C5 C 13 116.1 0.1 . 1 . . . . 16 G C5 . 15869 1 14 . 1 1 1 1 G C5' C 13 64.7 0.15 . 1 . . . . 16 G C5' . 15869 1 15 . 1 1 1 1 G C6 C 13 159.8 0.1 . 1 . . . . 16 G C6 . 15869 1 16 . 1 1 1 1 G C8 C 13 136.5 0.1 . 1 . . . . 16 G C8 . 15869 1 17 . 1 1 1 1 G N9 N 15 166.74 0.1 . 1 . . . . 16 G N9 . 15869 1 18 . 1 1 2 2 G H1 H 1 13.42 0.01 . 1 . . . . 17 G H1 . 15869 1 19 . 1 1 2 2 G H1' H 1 5.95 0.01 . 1 . . . . 17 G H1' . 15869 1 20 . 1 1 2 2 G H2' H 1 4.59 0.01 . 1 . . . . 17 G H2' . 15869 1 21 . 1 1 2 2 G H3' H 1 4.58 0.01 . 1 . . . . 17 G H3' . 15869 1 22 . 1 1 2 2 G H4' H 1 4.58 0.01 . 1 . . . . 17 G H4' . 15869 1 23 . 1 1 2 2 G H5' H 1 4.49 0.01 . 2 . . . . 17 G H5' . 15869 1 24 . 1 1 2 2 G H5'' H 1 4.2 0.01 . 2 . . . . 17 G H5'' . 15869 1 25 . 1 1 2 2 G H8 H 1 7.71 0.01 . 1 . . . . 17 G H8 . 15869 1 26 . 1 1 2 2 G HO2' H 1 6.93 0.01 . 1 . . . . 17 G HO2' . 15869 1 27 . 1 1 2 2 G C1' C 13 90.3 0.15 . 1 . . . . 17 G C1' . 15869 1 28 . 1 1 2 2 G C2' C 13 72.7 0.15 . 1 . . . . 17 G C2' . 15869 1 29 . 1 1 2 2 G C3' C 13 70.4 0.15 . 1 . . . . 17 G C3' . 15869 1 30 . 1 1 2 2 G C4 C 13 149.5 0.1 . 1 . . . . 17 G C4 . 15869 1 31 . 1 1 2 2 G C4' C 13 79.9 0.15 . 1 . . . . 17 G C4' . 15869 1 32 . 1 1 2 2 G C5 C 13 116.3 0.1 . 1 . . . . 17 G C5 . 15869 1 33 . 1 1 2 2 G C5' C 13 63.7 0.15 . 1 . . . . 17 G C5' . 15869 1 34 . 1 1 2 2 G C6 C 13 159 0.1 . 1 . . . . 17 G C6 . 15869 1 35 . 1 1 2 2 G C8 C 13 134.3 0.1 . 1 . . . . 17 G C8 . 15869 1 36 . 1 1 2 2 G N1 N 15 148.65 0.1 . 1 . . . . 17 G N1 . 15869 1 37 . 1 1 2 2 G N9 N 15 167.77 0.1 . 1 . . . . 17 G N9 . 15869 1 38 . 1 1 2 2 G P P 31 -3.51 0.05 . 1 . . . . 17 G P . 15869 1 39 . 1 1 3 3 C H1' H 1 5.57 0.01 . 1 . . . . 18 C H1' . 15869 1 40 . 1 1 3 3 C H2' H 1 4.46 0.01 . 1 . . . . 18 C H2' . 15869 1 41 . 1 1 3 3 C H3' H 1 4.46 0.01 . 1 . . . . 18 C H3' . 15869 1 42 . 1 1 3 3 C H4' H 1 4.46 0.01 . 1 . . . . 18 C H4' . 15869 1 43 . 1 1 3 3 C H5 H 1 5.27 0.01 . 1 . . . . 18 C H5 . 15869 1 44 . 1 1 3 3 C H5' H 1 4.57 0.01 . 2 . . . . 18 C H5' . 15869 1 45 . 1 1 3 3 C H5'' H 1 4.12 0.01 . 2 . . . . 18 C H5'' . 15869 1 46 . 1 1 3 3 C H6 H 1 7.72 0.01 . 1 . . . . 18 C H6 . 15869 1 47 . 1 1 3 3 C H41 H 1 8.6 0.01 . 2 . . . . 18 C H41 . 15869 1 48 . 1 1 3 3 C H42 H 1 6.84 0.01 . 2 . . . . 18 C H42 . 15869 1 49 . 1 1 3 3 C HO2' H 1 6.8 0.01 . 1 . . . . 18 C HO2' . 15869 1 50 . 1 1 3 3 C C1' C 13 91.3 0.15 . 1 . . . . 18 C C1' . 15869 1 51 . 1 1 3 3 C C2 C 13 156.1 0.1 . 1 . . . . 18 C C2 . 15869 1 52 . 1 1 3 3 C C2' C 13 72.9 0.15 . 1 . . . . 18 C C2' . 15869 1 53 . 1 1 3 3 C C3' C 13 69.4 0.15 . 1 . . . . 18 C C3' . 15869 1 54 . 1 1 3 3 C C4 C 13 165.7 0.1 . 1 . . . . 18 C C4 . 15869 1 55 . 1 1 3 3 C C4' C 13 79.1 0.15 . 1 . . . . 18 C C4' . 15869 1 56 . 1 1 3 3 C C5 C 13 94.4 0.1 . 1 . . . . 18 C C5 . 15869 1 57 . 1 1 3 3 C C5' C 13 62.1 0.15 . 1 . . . . 18 C C5' . 15869 1 58 . 1 1 3 3 C C6 C 13 138.2 0.1 . 1 . . . . 18 C C6 . 15869 1 59 . 1 1 3 3 C N1 N 15 151.76 0.1 . 1 . . . . 18 C N1 . 15869 1 60 . 1 1 3 3 C N4 N 15 99.13 0.1 . 1 . . . . 18 C N4 . 15869 1 61 . 1 1 3 3 C P P 31 -4.23 0.05 . 1 . . . . 18 C P . 15869 1 62 . 1 1 4 4 C H1' H 1 5.49 0.01 . 1 . . . . 19 C H1' . 15869 1 63 . 1 1 4 4 C H2' H 1 4.58 0.01 . 1 . . . . 19 C H2' . 15869 1 64 . 1 1 4 4 C H3' H 1 4.54 0.01 . 1 . . . . 19 C H3' . 15869 1 65 . 1 1 4 4 C H4' H 1 4.45 0.01 . 1 . . . . 19 C H4' . 15869 1 66 . 1 1 4 4 C H5 H 1 5.55 0.01 . 1 . . . . 19 C H5 . 15869 1 67 . 1 1 4 4 C H5' H 1 4.56 0.01 . 2 . . . . 19 C H5' . 15869 1 68 . 1 1 4 4 C H5'' H 1 4.12 0.01 . 2 . . . . 19 C H5'' . 15869 1 69 . 1 1 4 4 C H6 H 1 7.73 0.01 . 1 . . . . 19 C H6 . 15869 1 70 . 1 1 4 4 C H41 H 1 8.34 0.01 . 2 . . . . 19 C H41 . 15869 1 71 . 1 1 4 4 C H42 H 1 6.82 0.01 . 2 . . . . 19 C H42 . 15869 1 72 . 1 1 4 4 C HO2' H 1 6.63 0.01 . 1 . . . . 19 C HO2' . 15869 1 73 . 1 1 4 4 C C1' C 13 91.5 0.15 . 1 . . . . 19 C C1' . 15869 1 74 . 1 1 4 4 C C2 C 13 156 0.1 . 1 . . . . 19 C C2 . 15869 1 75 . 1 1 4 4 C C2' C 13 72.6 0.15 . 1 . . . . 19 C C2' . 15869 1 76 . 1 1 4 4 C C3' C 13 69.8 0.15 . 1 . . . . 19 C C3' . 15869 1 77 . 1 1 4 4 C C4 C 13 166.1 0.1 . 1 . . . . 19 C C4 . 15869 1 78 . 1 1 4 4 C C4' C 13 79.1 0.15 . 1 . . . . 19 C C4' . 15869 1 79 . 1 1 4 4 C C5' C 13 62.2 0.15 . 1 . . . . 19 C C5' . 15869 1 80 . 1 1 4 4 C C6 C 13 138.2 0.1 . 1 . . . . 19 C C6 . 15869 1 81 . 1 1 4 4 C N1 N 15 151.29 0.1 . 1 . . . . 19 C N1 . 15869 1 82 . 1 1 4 4 C N4 N 15 97.55 0.1 . 1 . . . . 19 C N4 . 15869 1 83 . 1 1 4 4 C P P 31 -3.88 0.05 . 1 . . . . 19 C P . 15869 1 84 . 1 1 5 5 A H1' H 1 5.91 0.01 . 1 . . . . 20 A H1' . 15869 1 85 . 1 1 5 5 A H2 H 1 6.99 0.01 . 1 . . . . 20 A H2 . 15869 1 86 . 1 1 5 5 A H2' H 1 4.7 0.01 . 1 . . . . 20 A H2' . 15869 1 87 . 1 1 5 5 A H3' H 1 4.69 0.01 . 1 . . . . 20 A H3' . 15869 1 88 . 1 1 5 5 A H4' H 1 4.51 0.01 . 1 . . . . 20 A H4' . 15869 1 89 . 1 1 5 5 A H5' H 1 4.58 0.01 . 2 . . . . 20 A H5' . 15869 1 90 . 1 1 5 5 A H5'' H 1 4.16 0.01 . 2 . . . . 20 A H5'' . 15869 1 91 . 1 1 5 5 A H8 H 1 8.01 0.01 . 1 . . . . 20 A H8 . 15869 1 92 . 1 1 5 5 A HO2' H 1 6.96 0.01 . 1 . . . . 20 A HO2' . 15869 1 93 . 1 1 5 5 A C1' C 13 90.4 0.15 . 1 . . . . 20 A C1' . 15869 1 94 . 1 1 5 5 A C2 C 13 149.83 0.1 . 1 . . . . 20 A C2 . 15869 1 95 . 1 1 5 5 A C2' C 13 73 0.15 . 1 . . . . 20 A C2' . 15869 1 96 . 1 1 5 5 A C3' C 13 70.2 0.15 . 1 . . . . 20 A C3' . 15869 1 97 . 1 1 5 5 A C4 C 13 146.2 0.1 . 1 . . . . 20 A C4 . 15869 1 98 . 1 1 5 5 A C4' C 13 79.3 0.15 . 1 . . . . 20 A C4' . 15869 1 99 . 1 1 5 5 A C5 C 13 118.4 0.1 . 1 . . . . 20 A C5 . 15869 1 100 . 1 1 5 5 A C5' C 13 62.6 0.15 . 1 . . . . 20 A C5' . 15869 1 101 . 1 1 5 5 A C6 C 13 155.1 0.1 . 1 . . . . 20 A C6 . 15869 1 102 . 1 1 5 5 A C8 C 13 136.8 0.1 . 1 . . . . 20 A C8 . 15869 1 103 . 1 1 5 5 A N9 N 15 168.73 0.1 . 1 . . . . 20 A N9 . 15869 1 104 . 1 1 5 5 A P P 31 -3.75 0.05 . 1 . . . . 20 A P . 15869 1 105 . 1 1 6 6 G H1 H 1 12.69 0.01 . 1 . . . . 21 G H1 . 15869 1 106 . 1 1 6 6 G H1' H 1 5.49 0.01 . 1 . . . . 21 G H1' . 15869 1 107 . 1 1 6 6 G H2' H 1 4.4 0.01 . 1 . . . . 21 G H2' . 15869 1 108 . 1 1 6 6 G H3' H 1 4.45 0.01 . 1 . . . . 21 G H3' . 15869 1 109 . 1 1 6 6 G H4' H 1 4.45 0.01 . 1 . . . . 21 G H4' . 15869 1 110 . 1 1 6 6 G H5' H 1 4.46 0.01 . 2 . . . . 21 G H5' . 15869 1 111 . 1 1 6 6 G H5'' H 1 4.07 0.01 . 2 . . . . 21 G H5'' . 15869 1 112 . 1 1 6 6 G H8 H 1 7.09 0.01 . 1 . . . . 21 G H8 . 15869 1 113 . 1 1 6 6 G HO2' H 1 6.99 0.01 . 1 . . . . 21 G HO2' . 15869 1 114 . 1 1 6 6 G C1' C 13 90 0.15 . 1 . . . . 21 G C1' . 15869 1 115 . 1 1 6 6 G C2' C 13 72.8 0.15 . 1 . . . . 21 G C2' . 15869 1 116 . 1 1 6 6 G C3' C 13 70.5 0.15 . 1 . . . . 21 G C3' . 15869 1 117 . 1 1 6 6 G C4 C 13 148.9 0.1 . 1 . . . . 21 G C4 . 15869 1 118 . 1 1 6 6 G C4' C 13 79.7 0.15 . 1 . . . . 21 G C4' . 15869 1 119 . 1 1 6 6 G C5 C 13 115.9 0.1 . 1 . . . . 21 G C5 . 15869 1 120 . 1 1 6 6 G C5' C 13 63.3 0.15 . 1 . . . . 21 G C5' . 15869 1 121 . 1 1 6 6 G C6 C 13 158.6 0.1 . 1 . . . . 21 G C6 . 15869 1 122 . 1 1 6 6 G C8 C 13 133.3 0.1 . 1 . . . . 21 G C8 . 15869 1 123 . 1 1 6 6 G N1 N 15 147.15 0.1 . 1 . . . . 21 G N1 . 15869 1 124 . 1 1 6 6 G N9 N 15 167.06 0.1 . 1 . . . . 21 G N9 . 15869 1 125 . 1 1 6 6 G P P 31 -3.8 0.05 . 1 . . . . 21 G P . 15869 1 126 . 1 1 7 7 A H1' H 1 5.98 0.01 . 1 . . . . 22 A H1' . 15869 1 127 . 1 1 7 7 A H2 H 1 7.44 0.01 . 1 . . . . 22 A H2 . 15869 1 128 . 1 1 7 7 A H2' H 1 4.46 0.01 . 1 . . . . 22 A H2' . 15869 1 129 . 1 1 7 7 A H3' H 1 4.69 0.01 . 1 . . . . 22 A H3' . 15869 1 130 . 1 1 7 7 A H4' H 1 4.48 0.01 . 1 . . . . 22 A H4' . 15869 1 131 . 1 1 7 7 A H5' H 1 4.47 0.01 . 2 . . . . 22 A H5' . 15869 1 132 . 1 1 7 7 A H5'' H 1 4.13 0.01 . 2 . . . . 22 A H5'' . 15869 1 133 . 1 1 7 7 A H8 H 1 7.78 0.01 . 1 . . . . 22 A H8 . 15869 1 134 . 1 1 7 7 A C1' C 13 89 0.15 . 1 . . . . 22 A C1' . 15869 1 135 . 1 1 7 7 A C2 C 13 151.54 0.1 . 1 . . . . 22 A C2 . 15869 1 136 . 1 1 7 7 A C2' C 13 74.2 0.15 . 1 . . . . 22 A C2' . 15869 1 137 . 1 1 7 7 A C3' C 13 72 0.15 . 1 . . . . 22 A C3' . 15869 1 138 . 1 1 7 7 A C4 C 13 147.3 0.1 . 1 . . . . 22 A C4 . 15869 1 139 . 1 1 7 7 A C4' C 13 81.1 0.15 . 1 . . . . 22 A C4' . 15869 1 140 . 1 1 7 7 A C5 C 13 118.3 0.1 . 1 . . . . 22 A C5 . 15869 1 141 . 1 1 7 7 A C5' C 13 63.2 0.15 . 1 . . . . 22 A C5' . 15869 1 142 . 1 1 7 7 A C6 C 13 155.4 0.1 . 1 . . . . 22 A C6 . 15869 1 143 . 1 1 7 7 A C8 C 13 138 0.1 . 1 . . . . 22 A C8 . 15869 1 144 . 1 1 7 7 A N9 N 15 168.1 0.1 . 1 . . . . 22 A N9 . 15869 1 145 . 1 1 7 7 A P P 31 -4.03 0.05 . 1 . . . . 22 A P . 15869 1 146 . 1 1 8 8 U H1' H 1 5.89 0.01 . 1 . . . . 23 U H1' . 15869 1 147 . 1 1 8 8 U H2' H 1 4.38 0.01 . 1 . . . . 23 U H2' . 15869 1 148 . 1 1 8 8 U H3' H 1 4.7 0.01 . 1 . . . . 23 U H3' . 15869 1 149 . 1 1 8 8 U H4' H 1 4.45 0.01 . 1 . . . . 23 U H4' . 15869 1 150 . 1 1 8 8 U H5 H 1 5.67 0.01 . 1 . . . . 23 U H5 . 15869 1 151 . 1 1 8 8 U H5' H 1 4.27 0.01 . 2 . . . . 23 U H5' . 15869 1 152 . 1 1 8 8 U H5'' H 1 4.19 0.01 . 2 . . . . 23 U H5'' . 15869 1 153 . 1 1 8 8 U H6 H 1 7.71 0.01 . 1 . . . . 23 U H6 . 15869 1 154 . 1 1 8 8 U HO2' H 1 6.8 0.01 . 1 . . . . 23 U HO2' . 15869 1 155 . 1 1 8 8 U C1' C 13 87.5 0.15 . 1 . . . . 23 U C1' . 15869 1 156 . 1 1 8 8 U C2 C 13 151.4 0.1 . 1 . . . . 23 U C2 . 15869 1 157 . 1 1 8 8 U C2' C 13 72.5 0.15 . 1 . . . . 23 U C2' . 15869 1 158 . 1 1 8 8 U C3' C 13 74.2 0.15 . 1 . . . . 23 U C3' . 15869 1 159 . 1 1 8 8 U C4 C 13 165.7 0.1 . 1 . . . . 23 U C4 . 15869 1 160 . 1 1 8 8 U C4' C 13 82.5 0.15 . 1 . . . . 23 U C4' . 15869 1 161 . 1 1 8 8 U C5 C 13 102.6 0.1 . 1 . . . . 23 U C5 . 15869 1 162 . 1 1 8 8 U C5' C 13 64.9 0.15 . 1 . . . . 23 U C5' . 15869 1 163 . 1 1 8 8 U C6 C 13 140.9 0.1 . 1 . . . . 23 U C6 . 15869 1 164 . 1 1 8 8 U N1 N 15 145.03 0.1 . 1 . . . . 23 U N1 . 15869 1 165 . 1 1 8 8 U P P 31 -3.65 0.05 . 1 . . . . 23 U P . 15869 1 166 . 1 1 9 9 U H1' H 1 5.95 0.01 . 1 . . . . 25 U H1' . 15869 1 167 . 1 1 9 9 U H2' H 1 4.51 0.01 . 1 . . . . 25 U H2' . 15869 1 168 . 1 1 9 9 U H3' H 1 4.68 0.01 . 1 . . . . 25 U H3' . 15869 1 169 . 1 1 9 9 U H4' H 1 4.51 0.01 . 1 . . . . 25 U H4' . 15869 1 170 . 1 1 9 9 U H5 H 1 5.86 0.01 . 1 . . . . 25 U H5 . 15869 1 171 . 1 1 9 9 U H5' H 1 4.28 0.01 . 2 . . . . 25 U H5' . 15869 1 172 . 1 1 9 9 U H5'' H 1 4.2 0.01 . 2 . . . . 25 U H5'' . 15869 1 173 . 1 1 9 9 U H6 H 1 7.9 0.01 . 1 . . . . 25 U H6 . 15869 1 174 . 1 1 9 9 U HO2' H 1 6.93 0.01 . 1 . . . . 25 U HO2' . 15869 1 175 . 1 1 9 9 U C1' C 13 88.8 0.15 . 1 . . . . 25 U C1' . 15869 1 176 . 1 1 9 9 U C2 C 13 151.4 0.1 . 1 . . . . 25 U C2 . 15869 1 177 . 1 1 9 9 U C2' C 13 72.8 0.15 . 1 . . . . 25 U C2' . 15869 1 178 . 1 1 9 9 U C3' C 13 73.1 0.15 . 1 . . . . 25 U C3' . 15869 1 179 . 1 1 9 9 U C4 C 13 166.1 0.1 . 1 . . . . 25 U C4 . 15869 1 180 . 1 1 9 9 U C4' C 13 82 0.15 . 1 . . . . 25 U C4' . 15869 1 181 . 1 1 9 9 U C5 C 13 102.4 0.1 . 1 . . . . 25 U C5 . 15869 1 182 . 1 1 9 9 U C5' C 13 64.5 0.15 . 1 . . . . 25 U C5' . 15869 1 183 . 1 1 9 9 U C6 C 13 141.3 0.1 . 1 . . . . 25 U C6 . 15869 1 184 . 1 1 9 9 U N1 N 15 146.35 0.1 . 1 . . . . 25 U N1 . 15869 1 185 . 1 1 9 9 U P P 31 -3.69 0.05 . 1 . . . . 25 U P . 15869 1 186 . 1 1 10 10 G H1 H 1 12.4 0.01 . 1 . . . . 26 G H1 . 15869 1 187 . 1 1 10 10 G H1' H 1 5.78 0.01 . 1 . . . . 26 G H1' . 15869 1 188 . 1 1 10 10 G H2' H 1 4.83 0.01 . 1 . . . . 26 G H2' . 15869 1 189 . 1 1 10 10 G H3' H 1 4.67 0.01 . 1 . . . . 26 G H3' . 15869 1 190 . 1 1 10 10 G H4' H 1 4.59 0.01 . 1 . . . . 26 G H4' . 15869 1 191 . 1 1 10 10 G H5' H 1 4.41 0.01 . 2 . . . . 26 G H5' . 15869 1 192 . 1 1 10 10 G H5'' H 1 4.22 0.01 . 2 . . . . 26 G H5'' . 15869 1 193 . 1 1 10 10 G H8 H 1 7.71 0.01 . 1 . . . . 26 G H8 . 15869 1 194 . 1 1 10 10 G HO2' H 1 6.78 0.01 . 1 . . . . 26 G HO2' . 15869 1 195 . 1 1 10 10 G C1' C 13 90.2 0.15 . 1 . . . . 26 G C1' . 15869 1 196 . 1 1 10 10 G C2' C 13 72.6 0.15 . 1 . . . . 26 G C2' . 15869 1 197 . 1 1 10 10 G C3' C 13 72 0.15 . 1 . . . . 26 G C3' . 15869 1 198 . 1 1 10 10 G C4 C 13 149.6 0.1 . 1 . . . . 26 G C4 . 15869 1 199 . 1 1 10 10 G C4' C 13 80.6 0.15 . 1 . . . . 26 G C4' . 15869 1 200 . 1 1 10 10 G C5 C 13 116.1 0.1 . 1 . . . . 26 G C5 . 15869 1 201 . 1 1 10 10 G C5' C 13 65.3 0.15 . 1 . . . . 26 G C5' . 15869 1 202 . 1 1 10 10 G C6 C 13 158.9 0.1 . 1 . . . . 26 G C6 . 15869 1 203 . 1 1 10 10 G C8 C 13 135 0.1 . 1 . . . . 26 G C8 . 15869 1 204 . 1 1 10 10 G N1 N 15 147.35 0.1 . 1 . . . . 26 G N1 . 15869 1 205 . 1 1 10 10 G N9 N 15 166.8 0.1 . 1 . . . . 26 G N9 . 15869 1 206 . 1 1 10 10 G P P 31 -3.4 0.05 . 1 . . . . 26 G P . 15869 1 207 . 1 1 11 11 A H1' H 1 6.04 0.01 . 1 . . . . 27 A H1' . 15869 1 208 . 1 1 11 11 A H2 H 1 7.52 0.01 . 1 . . . . 27 A H2 . 15869 1 209 . 1 1 11 11 A H2' H 1 4.83 0.01 . 1 . . . . 27 A H2' . 15869 1 210 . 1 1 11 11 A H3' H 1 4.71 0.01 . 1 . . . . 27 A H3' . 15869 1 211 . 1 1 11 11 A H4' H 1 4.59 0.01 . 1 . . . . 27 A H4' . 15869 1 212 . 1 1 11 11 A H5' H 1 4.55 0.01 . 2 . . . . 27 A H5' . 15869 1 213 . 1 1 11 11 A H5'' H 1 4.25 0.01 . 2 . . . . 27 A H5'' . 15869 1 214 . 1 1 11 11 A H8 H 1 7.86 0.01 . 1 . . . . 27 A H8 . 15869 1 215 . 1 1 11 11 A HO2' H 1 6.76 0.01 . 1 . . . . 27 A HO2' . 15869 1 216 . 1 1 11 11 A C1' C 13 90.2 0.15 . 1 . . . . 27 A C1' . 15869 1 217 . 1 1 11 11 A C2 C 13 150.76 0.1 . 1 . . . . 27 A C2 . 15869 1 218 . 1 1 11 11 A C2' C 13 73 0.15 . 1 . . . . 27 A C2' . 15869 1 219 . 1 1 11 11 A C3' C 13 70.8 0.15 . 1 . . . . 27 A C3' . 15869 1 220 . 1 1 11 11 A C4 C 13 146.5 0.1 . 1 . . . . 27 A C4 . 15869 1 221 . 1 1 11 11 A C4' C 13 79.8 0.15 . 1 . . . . 27 A C4' . 15869 1 222 . 1 1 11 11 A C5 C 13 118.6 0.1 . 1 . . . . 27 A C5 . 15869 1 223 . 1 1 11 11 A C5' C 13 63.3 0.15 . 1 . . . . 27 A C5' . 15869 1 224 . 1 1 11 11 A C6 C 13 155.5 0.1 . 1 . . . . 27 A C6 . 15869 1 225 . 1 1 11 11 A C8 C 13 137.2 0.1 . 1 . . . . 27 A C8 . 15869 1 226 . 1 1 11 11 A N9 N 15 168.15 0.1 . 1 . . . . 27 A N9 . 15869 1 227 . 1 1 11 11 A P P 31 -3.71 0.05 . 1 . . . . 27 A P . 15869 1 228 . 1 1 12 12 G H1 H 1 13.51 0.01 . 1 . . . . 28 G H1 . 15869 1 229 . 1 1 12 12 G H1' H 1 5.71 0.01 . 1 . . . . 28 G H1' . 15869 1 230 . 1 1 12 12 G H2' H 1 4.52 0.01 . 1 . . . . 28 G H2' . 15869 1 231 . 1 1 12 12 G H3' H 1 4.43 0.01 . 1 . . . . 28 G H3' . 15869 1 232 . 1 1 12 12 G H4' H 1 4.52 0.01 . 1 . . . . 28 G H4' . 15869 1 233 . 1 1 12 12 G H5' H 1 4.48 0.01 . 2 . . . . 28 G H5' . 15869 1 234 . 1 1 12 12 G H5'' H 1 4.12 0.01 . 2 . . . . 28 G H5'' . 15869 1 235 . 1 1 12 12 G H8 H 1 7.29 0.01 . 1 . . . . 28 G H8 . 15869 1 236 . 1 1 12 12 G HO2' H 1 7.07 0.01 . 1 . . . . 28 G HO2' . 15869 1 237 . 1 1 12 12 G C1' C 13 90.3 0.15 . 1 . . . . 28 G C1' . 15869 1 238 . 1 1 12 12 G C2' C 13 72.6 0.15 . 1 . . . . 28 G C2' . 15869 1 239 . 1 1 12 12 G C3' C 13 70.3 0.15 . 1 . . . . 28 G C3' . 15869 1 240 . 1 1 12 12 G C4 C 13 149.1 0.1 . 1 . . . . 28 G C4 . 15869 1 241 . 1 1 12 12 G C4' C 13 79.4 0.15 . 1 . . . . 28 G C4' . 15869 1 242 . 1 1 12 12 G C5 C 13 116.2 0.1 . 1 . . . . 28 G C5 . 15869 1 243 . 1 1 12 12 G C5' C 13 63.4 0.15 . 1 . . . . 28 G C5' . 15869 1 244 . 1 1 12 12 G C6 C 13 158.8 0.1 . 1 . . . . 28 G C6 . 15869 1 245 . 1 1 12 12 G C8 C 13 133.2 0.1 . 1 . . . . 28 G C8 . 15869 1 246 . 1 1 12 12 G N1 N 15 148.39 0.1 . 1 . . . . 28 G N1 . 15869 1 247 . 1 1 12 12 G N9 N 15 167.41 0.1 . 1 . . . . 28 G N9 . 15869 1 248 . 1 1 12 12 G P P 31 -3.81 0.05 . 1 . . . . 28 G P . 15869 1 249 . 1 1 13 13 C H1' H 1 5.52 0.01 . 1 . . . . 29 C H1' . 15869 1 250 . 1 1 13 13 C H2' H 1 4.25 0.01 . 1 . . . . 29 C H2' . 15869 1 251 . 1 1 13 13 C H3' H 1 4.44 0.01 . 1 . . . . 29 C H3' . 15869 1 252 . 1 1 13 13 C H4' H 1 4.39 0.01 . 1 . . . . 29 C H4' . 15869 1 253 . 1 1 13 13 C H5 H 1 5.14 0.01 . 1 . . . . 29 C H5 . 15869 1 254 . 1 1 13 13 C H5' H 1 4.56 0.01 . 2 . . . . 29 C H5' . 15869 1 255 . 1 1 13 13 C H5'' H 1 4.08 0.01 . 2 . . . . 29 C H5'' . 15869 1 256 . 1 1 13 13 C H6 H 1 7.56 0.01 . 1 . . . . 29 C H6 . 15869 1 257 . 1 1 13 13 C H41 H 1 8.58 0.01 . 2 . . . . 29 C H41 . 15869 1 258 . 1 1 13 13 C H42 H 1 6.82 0.01 . 2 . . . . 29 C H42 . 15869 1 259 . 1 1 13 13 C HO2' H 1 6.84 0.01 . 1 . . . . 29 C HO2' . 15869 1 260 . 1 1 13 13 C C1' C 13 91.8 0.15 . 1 . . . . 29 C C1' . 15869 1 261 . 1 1 13 13 C C2 C 13 154.3 0.1 . 1 . . . . 29 C C2 . 15869 1 262 . 1 1 13 13 C C2' C 13 72.8 0.15 . 1 . . . . 29 C C2' . 15869 1 263 . 1 1 13 13 C C3' C 13 69.4 0.15 . 1 . . . . 29 C C3' . 15869 1 264 . 1 1 13 13 C C4 C 13 165.7 0.1 . 1 . . . . 29 C C4 . 15869 1 265 . 1 1 13 13 C C4' C 13 79.4 0.15 . 1 . . . . 29 C C4' . 15869 1 266 . 1 1 13 13 C C5 C 13 94.5 0.1 . 1 . . . . 29 C C5 . 15869 1 267 . 1 1 13 13 C C5' C 13 61.6 0.15 . 1 . . . . 29 C C5' . 15869 1 268 . 1 1 13 13 C C6 C 13 138.2 0.1 . 1 . . . . 29 C C6 . 15869 1 269 . 1 1 13 13 C N1 N 15 151.84 0.1 . 1 . . . . 29 C N1 . 15869 1 270 . 1 1 13 13 C N4 N 15 98.71 0.1 . 1 . . . . 29 C N4 . 15869 1 271 . 1 1 13 13 C P P 31 -4.36 0.05 . 1 . . . . 29 C P . 15869 1 272 . 1 1 14 14 C H1' H 1 5.9 0.01 . 1 . . . . 30 C H1' . 15869 1 273 . 1 1 14 14 C H2' H 1 4.38 0.01 . 1 . . . . 30 C H2' . 15869 1 274 . 1 1 14 14 C H3' H 1 4.6 0.01 . 1 . . . . 30 C H3' . 15869 1 275 . 1 1 14 14 C H4' H 1 4.39 0.01 . 1 . . . . 30 C H4' . 15869 1 276 . 1 1 14 14 C H5 H 1 5.53 0.01 . 1 . . . . 30 C H5 . 15869 1 277 . 1 1 14 14 C H5' H 1 4.46 0.01 . 2 . . . . 30 C H5' . 15869 1 278 . 1 1 14 14 C H5'' H 1 4.06 0.01 . 2 . . . . 30 C H5'' . 15869 1 279 . 1 1 14 14 C H6 H 1 7.67 0.01 . 1 . . . . 30 C H6 . 15869 1 280 . 1 1 14 14 C H41 H 1 8.34 0.01 . 2 . . . . 30 C H41 . 15869 1 281 . 1 1 14 14 C H42 H 1 6.92 0.01 . 2 . . . . 30 C H42 . 15869 1 282 . 1 1 14 14 C C1' C 13 89 0.15 . 1 . . . . 30 C C1' . 15869 1 283 . 1 1 14 14 C C2 C 13 156.3 0.1 . 1 . . . . 30 C C2 . 15869 1 284 . 1 1 14 14 C C2' C 13 73.2 0.15 . 1 . . . . 30 C C2' . 15869 1 285 . 1 1 14 14 C C3' C 13 73.3 0.15 . 1 . . . . 30 C C3' . 15869 1 286 . 1 1 14 14 C C4' C 13 81.2 0.15 . 1 . . . . 30 C C4' . 15869 1 287 . 1 1 14 14 C C5' C 13 63.3 0.15 . 1 . . . . 30 C C5' . 15869 1 288 . 1 1 14 14 C C6 C 13 138.3 0.1 . 1 . . . . 30 C C6 . 15869 1 289 . 1 1 14 14 C N1 N 15 150.33 0.1 . 1 . . . . 30 C N1 . 15869 1 290 . 1 1 14 14 C N4 N 15 97.99 0.1 . 1 . . . . 30 C N4 . 15869 1 291 . 1 1 14 14 C P P 31 -4.21 0.05 . 1 . . . . 30 C P . 15869 1 292 . 1 1 15 15 U H1' H 1 5.75 0.01 . 1 . . . . 31 U H1' . 15869 1 293 . 1 1 15 15 U H2' H 1 4.31 0.01 . 1 . . . . 31 U H2' . 15869 1 294 . 1 1 15 15 U H3' H 1 4.53 0.01 . 1 . . . . 31 U H3' . 15869 1 295 . 1 1 15 15 U H4' H 1 4.27 0.01 . 1 . . . . 31 U H4' . 15869 1 296 . 1 1 15 15 U H5 H 1 5.81 0.01 . 1 . . . . 31 U H5 . 15869 1 297 . 1 1 15 15 U H5' H 1 3.98 0.01 . 2 . . . . 31 U H5' . 15869 1 298 . 1 1 15 15 U H6 H 1 7.77 0.01 . 2 . . . . 31 U H6 . 15869 1 299 . 1 1 15 15 U HO2' H 1 6.84 0.01 . 1 . . . . 31 U HO2' . 15869 1 300 . 1 1 15 15 U C1' C 13 88.2 0.15 . 1 . . . . 31 U C1' . 15869 1 301 . 1 1 15 15 U C2 C 13 151.4 0.1 . 1 . . . . 31 U C2 . 15869 1 302 . 1 1 15 15 U C2' C 13 72.9 0.15 . 1 . . . . 31 U C2' . 15869 1 303 . 1 1 15 15 U C3' C 13 73.7 0.15 . 1 . . . . 31 U C3' . 15869 1 304 . 1 1 15 15 U C4 C 13 165.8 0.1 . 1 . . . . 31 U C4 . 15869 1 305 . 1 1 15 15 U C4' C 13 82.1 0.15 . 1 . . . . 31 U C4' . 15869 1 306 . 1 1 15 15 U C5 C 13 102.5 0.1 . 1 . . . . 31 U C5 . 15869 1 307 . 1 1 15 15 U C5' C 13 64.7 0.15 . 1 . . . . 31 U C5' . 15869 1 308 . 1 1 15 15 U C6 C 13 140.9 0.1 . 1 . . . . 31 U C6 . 15869 1 309 . 1 1 15 15 U N1 N 15 145.66 0.1 . 1 . . . . 31 U N1 . 15869 1 310 . 1 1 15 15 U P P 31 -3.78 0.05 . 1 . . . . 31 U P . 15869 1 311 . 1 1 16 16 G H1' H 1 5.5 0.01 . 1 . . . . 32 G H1' . 15869 1 312 . 1 1 16 16 G H2' H 1 4.65 0.01 . 1 . . . . 32 G H2' . 15869 1 313 . 1 1 16 16 G H3' H 1 4.65 0.01 . 1 . . . . 32 G H3' . 15869 1 314 . 1 1 16 16 G H4' H 1 4.14 0.01 . 1 . . . . 32 G H4' . 15869 1 315 . 1 1 16 16 G H5' H 1 4.02 0.01 . 2 . . . . 32 G H5' . 15869 1 316 . 1 1 16 16 G H8 H 1 7.81 0.01 . 2 . . . . 32 G H8 . 15869 1 317 . 1 1 16 16 G C1' C 13 86.8 0.15 . 1 . . . . 32 G C1' . 15869 1 318 . 1 1 16 16 G C2' C 13 72.6 0.15 . 1 . . . . 32 G C2' . 15869 1 319 . 1 1 16 16 G C3' C 13 75 0.15 . 1 . . . . 32 G C3' . 15869 1 320 . 1 1 16 16 G C4 C 13 151.6 0.1 . 1 . . . . 32 G C4 . 15869 1 321 . 1 1 16 16 G C4' C 13 82.5 0.15 . 1 . . . . 32 G C4' . 15869 1 322 . 1 1 16 16 G C5 C 13 116.4 0.1 . 1 . . . . 32 G C5 . 15869 1 323 . 1 1 16 16 G C5' C 13 65.1 0.15 . 1 . . . . 32 G C5' . 15869 1 324 . 1 1 16 16 G C6 C 13 158.9 0.1 . 1 . . . . 32 G C6 . 15869 1 325 . 1 1 16 16 G C8 C 13 137.4 0.1 . 1 . . . . 32 G C8 . 15869 1 326 . 1 1 16 16 G N9 N 15 165.93 0.1 . 1 . . . . 32 G N9 . 15869 1 327 . 1 1 16 16 G P P 31 -3.5 0.05 . 1 . . . . 32 G P . 15869 1 328 . 1 1 17 17 G H1' H 1 5.52 0.01 . 1 . . . . 33 G H1' . 15869 1 329 . 1 1 17 17 G H2' H 1 4.53 0.01 . 1 . . . . 33 G H2' . 15869 1 330 . 1 1 17 17 G H3' H 1 4.68 0.01 . 1 . . . . 33 G H3' . 15869 1 331 . 1 1 17 17 G H4' H 1 4 0.01 . 1 . . . . 33 G H4' . 15869 1 332 . 1 1 17 17 G H5' H 1 3.94 0.01 . 2 . . . . 33 G H5' . 15869 1 333 . 1 1 17 17 G H5'' H 1 3.89 0.01 . 2 . . . . 33 G H5'' . 15869 1 334 . 1 1 17 17 G H8 H 1 7.66 0.01 . 1 . . . . 33 G H8 . 15869 1 335 . 1 1 17 17 G C1' C 13 87.3 0.15 . 1 . . . . 33 G C1' . 15869 1 336 . 1 1 17 17 G C2' C 13 73.1 0.15 . 1 . . . . 33 G C2' . 15869 1 337 . 1 1 17 17 G C3' C 13 74.5 0.15 . 1 . . . . 33 G C3' . 15869 1 338 . 1 1 17 17 G C4 C 13 151.2 0.1 . 1 . . . . 33 G C4 . 15869 1 339 . 1 1 17 17 G C4' C 13 82 0.15 . 1 . . . . 33 G C4' . 15869 1 340 . 1 1 17 17 G C5 C 13 116 0.1 . 1 . . . . 33 G C5 . 15869 1 341 . 1 1 17 17 G C5' C 13 65.1 0.15 . 1 . . . . 33 G C5' . 15869 1 342 . 1 1 17 17 G C6 C 13 158.1 0.1 . 1 . . . . 33 G C6 . 15869 1 343 . 1 1 17 17 G C8 C 13 136.9 0.1 . 1 . . . . 33 G C8 . 15869 1 344 . 1 1 17 17 G N9 N 15 167.47 0.1 . 1 . . . . 33 G N9 . 15869 1 345 . 1 1 17 17 G P P 31 -3.56 0.05 . 1 . . . . 33 G P . 15869 1 346 . 1 1 18 18 G H1' H 1 5.95 0.01 . 1 . . . . 34 G H1' . 15869 1 347 . 1 1 18 18 G H2' H 1 4.96 0.01 . 1 . . . . 34 G H2' . 15869 1 348 . 1 1 18 18 G H3' H 1 5.01 0.01 . 1 . . . . 34 G H3' . 15869 1 349 . 1 1 18 18 G H4' H 1 4.51 0.01 . 1 . . . . 34 G H4' . 15869 1 350 . 1 1 18 18 G H5' H 1 4.23 0.01 . 2 . . . . 34 G H5' . 15869 1 351 . 1 1 18 18 G H5'' H 1 4.12 0.01 . 2 . . . . 34 G H5'' . 15869 1 352 . 1 1 18 18 G H8 H 1 7.92 0.01 . 1 . . . . 34 G H8 . 15869 1 353 . 1 1 18 18 G C1' C 13 86.6 0.15 . 1 . . . . 34 G C1' . 15869 1 354 . 1 1 18 18 G C2' C 13 73 0.15 . 1 . . . . 34 G C2' . 15869 1 355 . 1 1 18 18 G C3' C 13 73.7 0.15 . 1 . . . . 34 G C3' . 15869 1 356 . 1 1 18 18 G C4 C 13 151 0.1 . 1 . . . . 34 G C4 . 15869 1 357 . 1 1 18 18 G C4' C 13 81.9 0.15 . 1 . . . . 34 G C4' . 15869 1 358 . 1 1 18 18 G C5 C 13 115.1 0.1 . 1 . . . . 34 G C5 . 15869 1 359 . 1 1 18 18 G C5' C 13 64.9 0.15 . 1 . . . . 34 G C5' . 15869 1 360 . 1 1 18 18 G C6 C 13 158.9 0.1 . 1 . . . . 34 G C6 . 15869 1 361 . 1 1 18 18 G C8 C 13 136 0.1 . 1 . . . . 34 G C8 . 15869 1 362 . 1 1 18 18 G N9 N 15 167.7 0.1 . 1 . . . . 34 G N9 . 15869 1 363 . 1 1 18 18 G P P 31 -3.68 0.05 . 1 . . . . 34 G P . 15869 1 364 . 1 1 19 19 A H1' H 1 6.09 0.01 . 1 . . . . 35 A H1' . 15869 1 365 . 1 1 19 19 A H2 H 1 8.25 0.01 . 1 . . . . 35 A H2 . 15869 1 366 . 1 1 19 19 A H2' H 1 4.94 0.01 . 1 . . . . 35 A H2' . 15869 1 367 . 1 1 19 19 A H3' H 1 4.89 0.01 . 1 . . . . 35 A H3' . 15869 1 368 . 1 1 19 19 A H4' H 1 4.64 0.01 . 1 . . . . 35 A H4' . 15869 1 369 . 1 1 19 19 A H5' H 1 4.37 0.01 . 2 . . . . 35 A H5' . 15869 1 370 . 1 1 19 19 A H8 H 1 8.44 0.01 . 1 . . . . 35 A H8 . 15869 1 371 . 1 1 19 19 A C1' C 13 88.1 0.15 . 1 . . . . 35 A C1' . 15869 1 372 . 1 1 19 19 A C2 C 13 152.27 0.1 . 1 . . . . 35 A C2 . 15869 1 373 . 1 1 19 19 A C2' C 13 73.1 0.15 . 1 . . . . 35 A C2' . 15869 1 374 . 1 1 19 19 A C3' C 13 73.2 0.15 . 1 . . . . 35 A C3' . 15869 1 375 . 1 1 19 19 A C4 C 13 148.6 0.1 . 1 . . . . 35 A C4 . 15869 1 376 . 1 1 19 19 A C4' C 13 82.5 0.15 . 1 . . . . 35 A C4' . 15869 1 377 . 1 1 19 19 A C5 C 13 118.9 0.1 . 1 . . . . 35 A C5 . 15869 1 378 . 1 1 19 19 A C5' C 13 65.5 0.15 . 1 . . . . 35 A C5' . 15869 1 379 . 1 1 19 19 A C6 C 13 155.1 0.1 . 1 . . . . 35 A C6 . 15869 1 380 . 1 1 19 19 A C8 C 13 139.8 0.1 . 1 . . . . 35 A C8 . 15869 1 381 . 1 1 19 19 A N9 N 15 166.9 0.1 . 1 . . . . 35 A N9 . 15869 1 382 . 1 1 19 19 A P P 31 -3.34 0.05 . 1 . . . . 35 A P . 15869 1 383 . 1 1 20 20 G H1 H 1 13.21 0.01 . 1 . . . . 36 G H1 . 15869 1 384 . 1 1 20 20 G H1' H 1 5.51 0.01 . 1 . . . . 36 G H1' . 15869 1 385 . 1 1 20 20 G H2' H 1 4.56 0.01 . 1 . . . . 36 G H2' . 15869 1 386 . 1 1 20 20 G H3' H 1 4.49 0.01 . 1 . . . . 36 G H3' . 15869 1 387 . 1 1 20 20 G H4' H 1 4.53 0.01 . 1 . . . . 36 G H4' . 15869 1 388 . 1 1 20 20 G H5' H 1 4.49 0.01 . 2 . . . . 36 G H5' . 15869 1 389 . 1 1 20 20 G H5'' H 1 4.2 0.01 . 2 . . . . 36 G H5'' . 15869 1 390 . 1 1 20 20 G H8 H 1 7.42 0.01 . 1 . . . . 36 G H8 . 15869 1 391 . 1 1 20 20 G HO2' H 1 6.89 0.01 . 1 . . . . 36 G HO2' . 15869 1 392 . 1 1 20 20 G C1' C 13 90.8 0.15 . 1 . . . . 36 G C1' . 15869 1 393 . 1 1 20 20 G C2' C 13 72.2 0.15 . 1 . . . . 36 G C2' . 15869 1 394 . 1 1 20 20 G C3' C 13 70.7 0.15 . 1 . . . . 36 G C3' . 15869 1 395 . 1 1 20 20 G C4 C 13 149.1 0.1 . 1 . . . . 36 G C4 . 15869 1 396 . 1 1 20 20 G C4' C 13 80.3 0.15 . 1 . . . . 36 G C4' . 15869 1 397 . 1 1 20 20 G C5 C 13 116.6 0.1 . 1 . . . . 36 G C5 . 15869 1 398 . 1 1 20 20 G C5' C 13 63.6 0.15 . 1 . . . . 36 G C5' . 15869 1 399 . 1 1 20 20 G C6 C 13 159.2 0.1 . 1 . . . . 36 G C6 . 15869 1 400 . 1 1 20 20 G C8 C 13 134.4 0.1 . 1 . . . . 36 G C8 . 15869 1 401 . 1 1 20 20 G N1 N 15 148.43 0.1 . 1 . . . . 36 G N1 . 15869 1 402 . 1 1 20 20 G N9 N 15 167.48 0.1 . 1 . . . . 36 G N9 . 15869 1 403 . 1 1 20 20 G P P 31 -3.33 0.05 . 1 . . . . 36 G P . 15869 1 404 . 1 1 21 21 C H1' H 1 5.58 0.01 . 1 . . . . 37 C H1' . 15869 1 405 . 1 1 21 21 C H2' H 1 4.41 0.01 . 1 . . . . 37 C H2' . 15869 1 406 . 1 1 21 21 C H3' H 1 4.51 0.01 . 1 . . . . 37 C H3' . 15869 1 407 . 1 1 21 21 C H4' H 1 4.47 0.01 . 1 . . . . 37 C H4' . 15869 1 408 . 1 1 21 21 C H5 H 1 5.25 0.01 . 1 . . . . 37 C H5 . 15869 1 409 . 1 1 21 21 C H5' H 1 4.59 0.01 . 2 . . . . 37 C H5' . 15869 1 410 . 1 1 21 21 C H5'' H 1 4.12 0.01 . 2 . . . . 37 C H5'' . 15869 1 411 . 1 1 21 21 C H6 H 1 7.81 0.01 . 1 . . . . 37 C H6 . 15869 1 412 . 1 1 21 21 C H41 H 1 8.64 0.01 . 2 . . . . 37 C H41 . 15869 1 413 . 1 1 21 21 C H42 H 1 6.81 0.01 . 2 . . . . 37 C H42 . 15869 1 414 . 1 1 21 21 C HO2' H 1 6.84 0.01 . 1 . . . . 37 C HO2' . 15869 1 415 . 1 1 21 21 C C1' C 13 91.4 0.15 . 1 . . . . 37 C C1' . 15869 1 416 . 1 1 21 21 C C2 C 13 156.2 0.1 . 1 . . . . 37 C C2 . 15869 1 417 . 1 1 21 21 C C2' C 13 72.8 0.15 . 1 . . . . 37 C C2' . 15869 1 418 . 1 1 21 21 C C3' C 13 69.3 0.15 . 1 . . . . 37 C C3' . 15869 1 419 . 1 1 21 21 C C4 C 13 165.7 0.1 . 1 . . . . 37 C C4 . 15869 1 420 . 1 1 21 21 C C4' C 13 79.2 0.15 . 1 . . . . 37 C C4' . 15869 1 421 . 1 1 21 21 C C5 C 13 94.1 0.1 . 1 . . . . 37 C C5 . 15869 1 422 . 1 1 21 21 C C5' C 13 61.6 0.15 . 1 . . . . 37 C C5' . 15869 1 423 . 1 1 21 21 C C6 C 13 138.8 0.1 . 1 . . . . 37 C C6 . 15869 1 424 . 1 1 21 21 C N1 N 15 152.16 0.1 . 1 . . . . 37 C N1 . 15869 1 425 . 1 1 21 21 C N4 N 15 99.04 0.1 . 1 . . . . 37 C N4 . 15869 1 426 . 1 1 21 21 C P P 31 -4.58 0.05 . 1 . . . . 37 C P . 15869 1 427 . 1 1 22 22 U H1' H 1 5.62 0.01 . 1 . . . . 38 U H1' . 15869 1 428 . 1 1 22 22 U H2' H 1 4.67 0.01 . 1 . . . . 38 U H2' . 15869 1 429 . 1 1 22 22 U H3 H 1 14.04 0.01 . 1 . . . . 38 U H3 . 15869 1 430 . 1 1 22 22 U H3' H 1 4.52 0.01 . 1 . . . . 38 U H3' . 15869 1 431 . 1 1 22 22 U H4' H 1 4.46 0.01 . 1 . . . . 38 U H4' . 15869 1 432 . 1 1 22 22 U H5 H 1 5.43 0.01 . 1 . . . . 38 U H5 . 15869 1 433 . 1 1 22 22 U H5' H 1 4.57 0.01 . 2 . . . . 38 U H5' . 15869 1 434 . 1 1 22 22 U H5'' H 1 4.12 0.01 . 2 . . . . 38 U H5'' . 15869 1 435 . 1 1 22 22 U H6 H 1 7.9 0.01 . 1 . . . . 38 U H6 . 15869 1 436 . 1 1 22 22 U HO2' H 1 6.81 0.01 . 1 . . . . 38 U HO2' . 15869 1 437 . 1 1 22 22 U C1' C 13 91 0.15 . 1 . . . . 38 U C1' . 15869 1 438 . 1 1 22 22 U C2 C 13 150.3 0.1 . 1 . . . . 38 U C2 . 15869 1 439 . 1 1 22 22 U C2' C 13 72.8 0.15 . 1 . . . . 38 U C2' . 15869 1 440 . 1 1 22 22 U C3' C 13 69.7 0.15 . 1 . . . . 38 U C3' . 15869 1 441 . 1 1 22 22 U C4 C 13 166.6 0.1 . 1 . . . . 38 U C4 . 15869 1 442 . 1 1 22 22 U C4' C 13 79.3 0.15 . 1 . . . . 38 U C4' . 15869 1 443 . 1 1 22 22 U C5 C 13 100.6 0.1 . 1 . . . . 38 U C5 . 15869 1 444 . 1 1 22 22 U C5' C 13 61.8 0.15 . 1 . . . . 38 U C5' . 15869 1 445 . 1 1 22 22 U C6 C 13 139.3 0.1 . 1 . . . . 38 U C6 . 15869 1 446 . 1 1 22 22 U N1 N 15 147.88 0.1 . 1 . . . . 38 U N1 . 15869 1 447 . 1 1 22 22 U N3 N 15 162.313 0.1 . 1 . . . . 38 U N3 . 15869 1 448 . 1 1 22 22 U P P 31 -4.06 0.05 . 1 . . . . 38 U P . 15869 1 449 . 1 1 23 23 C H1' H 1 5.49 0.01 . 1 . . . . 39 C H1' . 15869 1 450 . 1 1 23 23 C H2' H 1 4.46 0.01 . 1 . . . . 39 C H2' . 15869 1 451 . 1 1 23 23 C H3' H 1 4.27 0.01 . 1 . . . . 39 C H3' . 15869 1 452 . 1 1 23 23 C H4' H 1 4.5 0.01 . 1 . . . . 39 C H4' . 15869 1 453 . 1 1 23 23 C H5 H 1 5.65 0.01 . 1 . . . . 39 C H5 . 15869 1 454 . 1 1 23 23 C H5' H 1 4.13 0.01 . 2 . . . . 39 C H5' . 15869 1 455 . 1 1 23 23 C H6 H 1 7.71 0.01 . 1 . . . . 39 C H6 . 15869 1 456 . 1 1 23 23 C H41 H 1 8.39 0.01 . 2 . . . . 39 C H41 . 15869 1 457 . 1 1 23 23 C H42 H 1 6.99 0.01 . 2 . . . . 39 C H42 . 15869 1 458 . 1 1 23 23 C HO2' H 1 6.91 0.01 . 1 . . . . 39 C HO2' . 15869 1 459 . 1 1 23 23 C C1' C 13 91.9 0.15 . 1 . . . . 39 C C1' . 15869 1 460 . 1 1 23 23 C C2 C 13 156.1 0.1 . 1 . . . . 39 C C2 . 15869 1 461 . 1 1 23 23 C C2' C 13 72.8 0.15 . 1 . . . . 39 C C2' . 15869 1 462 . 1 1 23 23 C C3' C 13 70.2 0.15 . 1 . . . . 39 C C3' . 15869 1 463 . 1 1 23 23 C C4 C 13 165.8 0.1 . 1 . . . . 39 C C4 . 15869 1 464 . 1 1 23 23 C C4' C 13 79.6 0.15 . 1 . . . . 39 C C4' . 15869 1 465 . 1 1 23 23 C C5 C 13 95.3 0.1 . 1 . . . . 39 C C5 . 15869 1 466 . 1 1 23 23 C C5' C 13 63.3 0.15 . 1 . . . . 39 C C5' . 15869 1 467 . 1 1 23 23 C C6 C 13 138.5 0.1 . 1 . . . . 39 C C6 . 15869 1 468 . 1 1 23 23 C N1 N 15 151.78 0.1 . 1 . . . . 39 C N1 . 15869 1 469 . 1 1 23 23 C N4 N 15 97.48 0.1 . 1 . . . . 39 C N4 . 15869 1 470 . 1 1 23 23 C P P 31 -3.84 0.05 . 1 . . . . 39 C P . 15869 1 471 . 1 1 24 24 U H1' H 1 5.53 0.01 . 1 . . . . 40 U H1' . 15869 1 472 . 1 1 24 24 U H2' H 1 4.36 0.01 . 1 . . . . 40 U H2' . 15869 1 473 . 1 1 24 24 U H3' H 1 4.53 0.01 . 1 . . . . 40 U H3' . 15869 1 474 . 1 1 24 24 U H4' H 1 4.4 0.01 . 1 . . . . 40 U H4' . 15869 1 475 . 1 1 24 24 U H5 H 1 5.56 0.01 . 1 . . . . 40 U H5 . 15869 1 476 . 1 1 24 24 U H5' H 1 4.54 0.01 . 2 . . . . 40 U H5' . 15869 1 477 . 1 1 24 24 U H5'' H 1 4.11 0.01 . 2 . . . . 40 U H5'' . 15869 1 478 . 1 1 24 24 U H6 H 1 7.92 0.01 . 1 . . . . 40 U H6 . 15869 1 479 . 1 1 24 24 U HO2' H 1 6.94 0.01 . 1 . . . . 40 U HO2' . 15869 1 480 . 1 1 24 24 U C1' C 13 91.2 0.15 . 1 . . . . 40 U C1' . 15869 1 481 . 1 1 24 24 U C2 C 13 150 0.1 . 1 . . . . 40 U C2 . 15869 1 482 . 1 1 24 24 U C2' C 13 72.5 0.15 . 1 . . . . 40 U C2' . 15869 1 483 . 1 1 24 24 U C3' C 13 69.5 0.15 . 1 . . . . 40 U C3' . 15869 1 484 . 1 1 24 24 U C4 C 13 166 0.1 . 1 . . . . 40 U C4 . 15869 1 485 . 1 1 24 24 U C4' C 13 79.7 0.15 . 1 . . . . 40 U C4' . 15869 1 486 . 1 1 24 24 U C5 C 13 101.0 0.1 . 1 . . . . 40 U C5 . 15869 1 487 . 1 1 24 24 U C5' C 13 61.6 0.15 . 1 . . . . 40 U C5' . 15869 1 488 . 1 1 24 24 U C6 C 13 139.1 0.1 . 1 . . . . 40 U C6 . 15869 1 489 . 1 1 24 24 U N1 N 15 147.94 0.1 . 1 . . . . 40 U N1 . 15869 1 490 . 1 1 24 24 U P P 31 -4.43 0.05 . 1 . . . . 40 U P . 15869 1 491 . 1 1 25 25 C H1' H 1 5.5 0.01 . 1 . . . . 41 C H1' . 15869 1 492 . 1 1 25 25 C H2' H 1 4.28 0.01 . 1 . . . . 41 C H2' . 15869 1 493 . 1 1 25 25 C H3' H 1 4.5 0.01 . 1 . . . . 41 C H3' . 15869 1 494 . 1 1 25 25 C H4' H 1 4.41 0.01 . 1 . . . . 41 C H4' . 15869 1 495 . 1 1 25 25 C H5 H 1 5.77 0.01 . 1 . . . . 41 C H5 . 15869 1 496 . 1 1 25 25 C H5' H 1 4.52 0.01 . 2 . . . . 41 C H5' . 15869 1 497 . 1 1 25 25 C H5'' H 1 4.1 0.01 . 2 . . . . 41 C H5'' . 15869 1 498 . 1 1 25 25 C H6 H 1 7.95 0.01 . 1 . . . . 41 C H6 . 15869 1 499 . 1 1 25 25 C H41 H 1 8.3 0.01 . 2 . . . . 41 C H41 . 15869 1 500 . 1 1 25 25 C H42 H 1 7.01 0.01 . 2 . . . . 41 C H42 . 15869 1 501 . 1 1 25 25 C HO2' H 1 6.75 0.01 . 1 . . . . 41 C HO2' . 15869 1 502 . 1 1 25 25 C C1' C 13 91.3 0.15 . 1 . . . . 41 C C1' . 15869 1 503 . 1 1 25 25 C C2 C 13 156.1 0.1 . 1 . . . . 41 C C2 . 15869 1 504 . 1 1 25 25 C C2' C 13 72.7 0.15 . 1 . . . . 41 C C2' . 15869 1 505 . 1 1 25 25 C C3' C 13 69.5 0.15 . 1 . . . . 41 C C3' . 15869 1 506 . 1 1 25 25 C C4 C 13 165.8 0.1 . 1 . . . . 41 C C4 . 15869 1 507 . 1 1 25 25 C C4' C 13 79.3 0.15 . 1 . . . . 41 C C4' . 15869 1 508 . 1 1 25 25 C C5 C 13 95.0 0.1 . 1 . . . . 41 C C5 . 15869 1 509 . 1 1 25 25 C C5' C 13 61.8 0.15 . 1 . . . . 41 C C5' . 15869 1 510 . 1 1 25 25 C C6 C 13 139.2 0.1 . 1 . . . . 41 C C6 . 15869 1 511 . 1 1 25 25 C N1 N 15 152.24 0.1 . 1 . . . . 41 C N1 . 15869 1 512 . 1 1 25 25 C N4 N 15 98.08 0.1 . 1 . . . . 41 C N4 . 15869 1 513 . 1 1 25 25 C P P 31 -4.23 0.05 . 1 . . . . 41 C P . 15869 1 514 . 1 1 26 26 U H1' H 1 5.5 0.01 . 1 . . . . 42 U H1' . 15869 1 515 . 1 1 26 26 U H2' H 1 4.6 0.01 . 1 . . . . 42 U H2' . 15869 1 516 . 1 1 26 26 U H3 H 1 13.38 0.01 . 1 . . . . 42 U H3 . 15869 1 517 . 1 1 26 26 U H3' H 1 4.63 0.01 . 1 . . . . 42 U H3' . 15869 1 518 . 1 1 26 26 U H4' H 1 4.43 0.01 . 1 . . . . 42 U H4' . 15869 1 519 . 1 1 26 26 U H5 H 1 5.41 0.01 . 1 . . . . 42 U H5 . 15869 1 520 . 1 1 26 26 U H5' H 1 4.57 0.01 . 2 . . . . 42 U H5' . 15869 1 521 . 1 1 26 26 U H5'' H 1 4.11 0.01 . 2 . . . . 42 U H5'' . 15869 1 522 . 1 1 26 26 U H6 H 1 7.88 0.01 . 1 . . . . 42 U H6 . 15869 1 523 . 1 1 26 26 U HO2' H 1 6.82 0.01 . 1 . . . . 42 U HO2' . 15869 1 524 . 1 1 26 26 U C1' C 13 90.9 0.15 . 1 . . . . 42 U C1' . 15869 1 525 . 1 1 26 26 U C2 C 13 149.9 0.1 . 1 . . . . 42 U C2 . 15869 1 526 . 1 1 26 26 U C2' C 13 72.6 0.15 . 1 . . . . 42 U C2' . 15869 1 527 . 1 1 26 26 U C3' C 13 69.6 0.15 . 1 . . . . 42 U C3' . 15869 1 528 . 1 1 26 26 U C4 C 13 166.7 0.1 . 1 . . . . 42 U C4 . 15869 1 529 . 1 1 26 26 U C4' C 13 79.3 0.15 . 1 . . . . 42 U C4' . 15869 1 530 . 1 1 26 26 U C5 C 13 100.9 0.1 . 1 . . . . 42 U C5 . 15869 1 531 . 1 1 26 26 U C5' C 13 61.8 0.15 . 1 . . . . 42 U C5' . 15869 1 532 . 1 1 26 26 U C6 C 13 139.1 0.1 . 1 . . . . 42 U C6 . 15869 1 533 . 1 1 26 26 U N1 N 15 147.27 0.1 . 1 . . . . 42 U N1 . 15869 1 534 . 1 1 26 26 U N3 N 15 162.05 0.1 . 1 . . . . 42 U N3 . 15869 1 535 . 1 1 26 26 U P P 31 -4.23 0.05 . 1 . . . . 42 U P . 15869 1 536 . 1 1 27 27 G H1 H 1 12.01 0.01 . 1 . . . . 43 G H1 . 15869 1 537 . 1 1 27 27 G H1' H 1 5.79 0.01 . 1 . . . . 43 G H1' . 15869 1 538 . 1 1 27 27 G H2' H 1 4.61 0.01 . 1 . . . . 43 G H2' . 15869 1 539 . 1 1 27 27 G H3' H 1 4.63 0.01 . 1 . . . . 43 G H3' . 15869 1 540 . 1 1 27 27 G H4' H 1 4.52 0.01 . 1 . . . . 43 G H4' . 15869 1 541 . 1 1 27 27 G H5' H 1 4.51 0.01 . 2 . . . . 43 G H5' . 15869 1 542 . 1 1 27 27 G H5'' H 1 4.16 0.01 . 2 . . . . 43 G H5'' . 15869 1 543 . 1 1 27 27 G H8 H 1 7.71 0.01 . 1 . . . . 43 G H8 . 15869 1 544 . 1 1 27 27 G HO2' H 1 6.79 0.01 . 1 . . . . 43 G HO2' . 15869 1 545 . 1 1 27 27 G C1' C 13 89.8 0.15 . 1 . . . . 43 G C1' . 15869 1 546 . 1 1 27 27 G C2' C 13 72.9 0.15 . 1 . . . . 43 G C2' . 15869 1 547 . 1 1 27 27 G C3' C 13 70.4 0.15 . 1 . . . . 43 G C3' . 15869 1 548 . 1 1 27 27 G C4 C 13 148.9 0.1 . 1 . . . . 43 G C4 . 15869 1 549 . 1 1 27 27 G C4' C 13 79.3 0.15 . 1 . . . . 43 G C4' . 15869 1 550 . 1 1 27 27 G C5 C 13 116.1 0.1 . 1 . . . . 43 G C5 . 15869 1 551 . 1 1 27 27 G C5' C 13 63 0.15 . 1 . . . . 43 G C5' . 15869 1 552 . 1 1 27 27 G C6 C 13 158.6 0.1 . 1 . . . . 43 G C6 . 15869 1 553 . 1 1 27 27 G C8 C 13 133.7 0.1 . 1 . . . . 43 G C8 . 15869 1 554 . 1 1 27 27 G N1 N 15 146.66 0.1 . 1 . . . . 43 G N1 . 15869 1 555 . 1 1 27 27 G N9 N 15 167.78 0.1 . 1 . . . . 43 G N9 . 15869 1 556 . 1 1 27 27 G P P 31 -3.69 0.05 . 1 . . . . 43 G P . 15869 1 557 . 1 1 28 28 G H1 H 1 13.26 0.01 . 1 . . . . 44 G H1 . 15869 1 558 . 1 1 28 28 G H1' H 1 5.7 0.01 . 1 . . . . 44 G H1' . 15869 1 559 . 1 1 28 28 G H2' H 1 4.49 0.01 . 1 . . . . 44 G H2' . 15869 1 560 . 1 1 28 28 G H3' H 1 4.49 0.01 . 1 . . . . 44 G H3' . 15869 1 561 . 1 1 28 28 G H4' H 1 4.48 0.01 . 1 . . . . 44 G H4' . 15869 1 562 . 1 1 28 28 G H5' H 1 4.52 0.01 . 2 . . . . 44 G H5' . 15869 1 563 . 1 1 28 28 G H5'' H 1 4.09 0.01 . 2 . . . . 44 G H5'' . 15869 1 564 . 1 1 28 28 G H8 H 1 7.33 0.01 . 1 . . . . 44 G H8 . 15869 1 565 . 1 1 28 28 G HO2' H 1 6.89 0.01 . 1 . . . . 44 G HO2' . 15869 1 566 . 1 1 28 28 G C1' C 13 90.3 0.15 . 1 . . . . 44 G C1' . 15869 1 567 . 1 1 28 28 G C2' C 13 72.5 0.15 . 1 . . . . 44 G C2' . 15869 1 568 . 1 1 28 28 G C3' C 13 70 0.15 . 1 . . . . 44 G C3' . 15869 1 569 . 1 1 28 28 G C4 C 13 149 0.1 . 1 . . . . 44 G C4 . 15869 1 570 . 1 1 28 28 G C4' C 13 79.4 0.15 . 1 . . . . 44 G C4' . 15869 1 571 . 1 1 28 28 G C5 C 13 116.4 0.1 . 1 . . . . 44 G C5 . 15869 1 572 . 1 1 28 28 G C5' C 13 62.6 0.15 . 1 . . . . 44 G C5' . 15869 1 573 . 1 1 28 28 G C6 C 13 158.8 0.1 . 1 . . . . 44 G C6 . 15869 1 574 . 1 1 28 28 G C8 C 13 133.4 0.1 . 1 . . . . 44 G C8 . 15869 1 575 . 1 1 28 28 G N1 N 15 148.79 0.1 . 1 . . . . 44 G N1 . 15869 1 576 . 1 1 28 28 G N9 N 15 167.41 0.1 . 1 . . . . 44 G N9 . 15869 1 577 . 1 1 28 28 G P P 31 -3.89 0.05 . 1 . . . . 44 G P . 15869 1 578 . 1 1 29 29 C H1' H 1 5.53 0.01 . 1 . . . . 45 C H1' . 15869 1 579 . 1 1 29 29 C H2' H 1 4.3 0.01 . 1 . . . . 45 C H2' . 15869 1 580 . 1 1 29 29 C H3' H 1 4.45 0.01 . 1 . . . . 45 C H3' . 15869 1 581 . 1 1 29 29 C H4' H 1 4.41 0.01 . 1 . . . . 45 C H4' . 15869 1 582 . 1 1 29 29 C H5 H 1 5.18 0.01 . 1 . . . . 45 C H5 . 15869 1 583 . 1 1 29 29 C H5' H 1 4.54 0.01 . 2 . . . . 45 C H5' . 15869 1 584 . 1 1 29 29 C H5'' H 1 4.05 0.01 . 2 . . . . 45 C H5'' . 15869 1 585 . 1 1 29 29 C H6 H 1 7.65 0.01 . 1 . . . . 45 C H6 . 15869 1 586 . 1 1 29 29 C H41 H 1 8.6 0.01 . 2 . . . . 45 C H41 . 15869 1 587 . 1 1 29 29 C H42 H 1 6.88 0.01 . 2 . . . . 45 C H42 . 15869 1 588 . 1 1 29 29 C HO2' H 1 6.84 0.01 . 1 . . . . 45 C HO2' . 15869 1 589 . 1 1 29 29 C C1' C 13 91.5 0.15 . 1 . . . . 45 C C1' . 15869 1 590 . 1 1 29 29 C C2 C 13 156.3 0.1 . 1 . . . . 45 C C2 . 15869 1 591 . 1 1 29 29 C C2' C 13 72.9 0.15 . 1 . . . . 45 C C2' . 15869 1 592 . 1 1 29 29 C C3' C 13 69.3 0.15 . 1 . . . . 45 C C3' . 15869 1 593 . 1 1 29 29 C C4 C 13 165.7 0.1 . 1 . . . . 45 C C4 . 15869 1 594 . 1 1 29 29 C C4' C 13 79.3 0.15 . 1 . . . . 45 C C4' . 15869 1 595 . 1 1 29 29 C C5 C 13 94.3 0.1 . 1 . . . . 45 C C5 . 15869 1 596 . 1 1 29 29 C C5' C 13 61.6 0.15 . 1 . . . . 45 C C5' . 15869 1 597 . 1 1 29 29 C C6 C 13 139.3 0.1 . 1 . . . . 45 C C6 . 15869 1 598 . 1 1 29 29 C N1 N 15 151.84 0.1 . 1 . . . . 45 C N1 . 15869 1 599 . 1 1 29 29 C N4 N 15 99.24 0.1 . 1 . . . . 45 C N4 . 15869 1 600 . 1 1 29 29 C P P 31 -4.39 0.05 . 1 . . . . 45 C P . 15869 1 601 . 1 1 30 30 C H1' H 1 5.8 0.01 . 1 . . . . 46 C H1' . 15869 1 602 . 1 1 30 30 C H2' H 1 4.03 0.01 . 1 . . . . 46 C H2' . 15869 1 603 . 1 1 30 30 C H3' H 1 4.19 0.01 . 1 . . . . 46 C H3' . 15869 1 604 . 1 1 30 30 C H4' H 1 4.18 0.01 . 1 . . . . 46 C H4' . 15869 1 605 . 1 1 30 30 C H5 H 1 5.53 0.01 . 1 . . . . 46 C H5 . 15869 1 606 . 1 1 30 30 C H5' H 1 4.49 0.01 . 2 . . . . 46 C H5' . 15869 1 607 . 1 1 30 30 C H5'' H 1 4.04 0.01 . 2 . . . . 46 C H5'' . 15869 1 608 . 1 1 30 30 C H6 H 1 7.7 0.01 . 1 . . . . 46 C H6 . 15869 1 609 . 1 1 30 30 C C1' C 13 90.4 0.15 . 1 . . . . 46 C C1' . 15869 1 610 . 1 1 30 30 C C2 C 13 157.3 0.1 . 1 . . . . 46 C C2 . 15869 1 611 . 1 1 30 30 C C2' C 13 74.9 0.15 . 1 . . . . 46 C C2' . 15869 1 612 . 1 1 30 30 C C3' C 13 67.1 0.15 . 1 . . . . 46 C C3' . 15869 1 613 . 1 1 30 30 C C4 C 13 166.2 0.1 . 1 . . . . 46 C C4 . 15869 1 614 . 1 1 30 30 C C4' C 13 80.8 0.15 . 1 . . . . 46 C C4' . 15869 1 615 . 1 1 30 30 C C5' C 13 62.4 0.15 . 1 . . . . 46 C C5' . 15869 1 616 . 1 1 30 30 C C6 C 13 139.0 0.1 . 1 . . . . 46 C C6 . 15869 1 617 . 1 1 30 30 C N1 N 15 153.09 0.1 . 1 . . . . 46 C N1 . 15869 1 618 . 1 1 30 30 C P P 31 -4.05 0.05 . 1 . . . . 46 C P . 15869 1 stop_ save_