data_15572 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15572 _Entry.Title ; NMR STRUCTURE OF RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-29 _Entry.Accession_date 2007-11-29 _Entry.Last_release_date 2008-05-29 _Entry.Original_release_date 2008-05-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lukasz Popenda . . . 15572 2 Ryszard Adamiak . W. . 15572 3 Zofia Gdaniec . . . 15572 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15572 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bulge . 15572 duplex . 15572 RNA . 15572 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15572 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 112 15572 '1H chemical shifts' 173 15572 '31P chemical shifts' 19 15572 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 . . 2008-05-29 2007-11-29 original author . 15572 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15571 'RNA DUPLEX' 15572 PDB 2JXS 'BMRB Entry Tracking System' 15572 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 15572 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18399645 _Citation.Full_citation . _Citation.Title 'Bulged adenosine influence on the RNA duplex conformation in solution' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 18 _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 5059 _Citation.Page_last 5067 _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 Lukasz Popenda . . . 15572 1 2 Ryszard Adamiak . W. . 15572 1 3 Zofia Gdaniec . . . 15572 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15572 _Assembly.ID 1 _Assembly.Name 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE strand 1' 1 $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') A . yes native no no . . . 15572 1 2 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE strand 2' 2 $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') B . yes native no no . . . 15572 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') _Entity.Entry_ID 15572 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCAGAAGAGCG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3608.283 _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 . G . 15572 1 2 . C . 15572 1 3 . A . 15572 1 4 . G . 15572 1 5 . A . 15572 1 6 . A . 15572 1 7 . G . 15572 1 8 . A . 15572 1 9 . G . 15572 1 10 . C . 15572 1 11 . G . 15572 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 15572 1 . C 2 2 15572 1 . A 3 3 15572 1 . G 4 4 15572 1 . A 5 5 15572 1 . A 6 6 15572 1 . G 7 7 15572 1 . A 8 8 15572 1 . G 9 9 15572 1 . C 10 10 15572 1 . G 11 11 15572 1 stop_ save_ save_RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') _Entity.Entry_ID 15572 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CGCUCUCUGC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3089.881 _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 . C . 15572 2 2 . G . 15572 2 3 . C . 15572 2 4 . U . 15572 2 5 . C . 15572 2 6 . U . 15572 2 7 . C . 15572 2 8 . U . 15572 2 9 . G . 15572 2 10 . C . 15572 2 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 . C 1 1 15572 2 . G 2 2 15572 2 . C 3 3 15572 2 . U 4 4 15572 2 . C 5 5 15572 2 . U 6 6 15572 2 . C 7 7 15572 2 . U 8 8 15572 2 . G 9 9 15572 2 . C 10 10 15572 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15572 _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 $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15572 1 2 2 $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15572 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 15572 _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 $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'synthesized using phosphoramidite chemistry' . . 15572 1 2 2 $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'synthesized using phosphoramidite chemistry' . . 15572 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15572 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3')' 'natural abundance' . . 1 $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') . . 0.5 . . mM . . . . 15572 1 2 'RNA (5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') . . 0.5 . . mM . . . . 15572 1 3 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15572 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15572 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15572 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15572 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15572 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3')' 'natural abundance' . . 1 $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') . . 0.5 . . mM . . . . 15572 2 2 'RNA (5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') . . 0.5 . . mM . . . . 15572 2 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15572 2 4 H2O . . . . . . . 90 . . % . . . . 15572 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15572 2 6 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15572 2 7 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15572 2 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 15572 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM NaCl, 10 mM sodium phosphate, 0.1 mM EDTA' 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' 60 . mM 15572 1 pH 6.8 . pH 15572 1 pressure 1 . atm 15572 1 temperature 298 . K 15572 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 15572 _Sample_condition_list.ID 2 _Sample_condition_list.Details '50 mM NaCl, 10 mM sodium phosphate, 0.1 mM EDTA' 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' 60 . mM 15572 2 pH 6.8 . pH 15572 2 pressure 1 . atm 15572 2 temperature 293 . K 15572 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 15572 _Sample_condition_list.ID 3 _Sample_condition_list.Details '50 mM NaCl, 10 mM sodium phosphate, 0.1 mM EDTA' 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' 60 . mM 15572 3 pH 6.8 . pH 15572 3 pressure 1 . atm 15572 3 temperature 283 . K 15572 3 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15572 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore' . . 15572 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15572 1 'structure solution' 15572 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15572 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15572 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15572 2 processing 15572 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15572 _Software.ID 3 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15572 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15572 3 'peak picking' 15572 3 stop_ save_ save_CURVES _Software.Sf_category software _Software.Sf_framecode CURVES _Software.Entry_ID 15572 _Software.ID 4 _Software.Name CURVES _Software.Version 5.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lavery and Sklenar' . . 15572 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15572 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15572 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15572 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15572 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 15572 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 1 6 '2D 1H-31P HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 1 8 '1D NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15572 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 15572 _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 carbons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 15572 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 15572 1 P 31 TMP phosphorus . . . . ppm 0.0 internal indirect 0.404808636 . . . . . . . . . 15572 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 15572 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 15572 1 5 '2D 1H-13C HSQC' . . . 15572 1 6 '2D 1H-31P HSQC' . . . 15572 1 7 '2D 1H-1H NOESY' . . . 15572 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 5.69 0.01 . 1 . . . . 1 G H1' . 15572 1 2 . 1 1 1 1 G H2' H 1 4.75 0.01 . 1 . . . . 1 G H2' . 15572 1 3 . 1 1 1 1 G H3' H 1 4.57 0.01 . 1 . . . . 1 G H3' . 15572 1 4 . 1 1 1 1 G H4' H 1 4.34 0.01 . 1 . . . . 1 G H4' . 15572 1 5 . 1 1 1 1 G H5' H 1 4.03 0.01 . 2 . . . . 1 G H5' . 15572 1 6 . 1 1 1 1 G H5'' H 1 3.90 0.01 . 2 . . . . 1 G H5'' . 15572 1 7 . 1 1 1 1 G H8 H 1 8.04 0.01 . 1 . . . . 1 G H8 . 15572 1 8 . 1 1 1 1 G C1' C 13 92.50 0.10 . 1 . . . . 1 G C1' . 15572 1 9 . 1 1 1 1 G C2' C 13 74.90 0.10 . 1 . . . . 1 G C2' . 15572 1 10 . 1 1 1 1 G C3' C 13 74.00 0.10 . 1 . . . . 1 G C3' . 15572 1 11 . 1 1 1 1 G C4' C 13 84.80 0.10 . 1 . . . . 1 G C4' . 15572 1 12 . 1 1 1 1 G C5' C 13 62.20 0.10 . 1 . . . . 1 G C5' . 15572 1 13 . 1 1 1 1 G C8 C 13 138.80 0.10 . 1 . . . . 1 G C8 . 15572 1 14 . 1 1 2 2 C H1' H 1 5.62 0.01 . 1 . . . . 2 C H1' . 15572 1 15 . 1 1 2 2 C H2' H 1 4.65 0.01 . 1 . . . . 2 C H2' . 15572 1 16 . 1 1 2 2 C H3' H 1 4.61 0.01 . 1 . . . . 2 C H3' . 15572 1 17 . 1 1 2 2 C H4' H 1 4.49 0.01 . 1 . . . . 2 C H4' . 15572 1 18 . 1 1 2 2 C H5 H 1 5.31 0.01 . 1 . . . . 2 C H5 . 15572 1 19 . 1 1 2 2 C H5'' H 1 4.20 0.01 . 2 . . . . 2 C H5'' . 15572 1 20 . 1 1 2 2 C H6 H 1 7.87 0.01 . 1 . . . . 2 C H6 . 15572 1 21 . 1 1 2 2 C H41 H 1 8.49 0.01 . 2 . . . . 2 C H41 . 15572 1 22 . 1 1 2 2 C H42 H 1 6.82 0.01 . 2 . . . . 2 C H42 . 15572 1 23 . 1 1 2 2 C C1' C 13 93.80 0.20 . 1 . . . . 2 C C1' . 15572 1 24 . 1 1 2 2 C C2' C 13 75.60 0.10 . 1 . . . . 2 C C2' . 15572 1 25 . 1 1 2 2 C C3' C 13 72.40 0.10 . 1 . . . . 2 C C3' . 15572 1 26 . 1 1 2 2 C C5 C 13 97.20 0.10 . 1 . . . . 2 C C5 . 15572 1 27 . 1 1 2 2 C C6 C 13 141.60 0.10 . 1 . . . . 2 C C6 . 15572 1 28 . 1 1 2 2 C P P 31 -4.32 0.01 . 1 . . . . 2 C P . 15572 1 29 . 1 1 3 3 A H1' H 1 5.94 0.01 . 1 . . . . 3 A H1' . 15572 1 30 . 1 1 3 3 A H2 H 1 6.93 0.01 . 1 . . . . 3 A H2 . 15572 1 31 . 1 1 3 3 A H2' H 1 4.61 0.01 . 1 . . . . 3 A H2' . 15572 1 32 . 1 1 3 3 A H3' H 1 4.71 0.01 . 1 . . . . 3 A H3' . 15572 1 33 . 1 1 3 3 A H4' H 1 4.52 0.01 . 1 . . . . 3 A H4' . 15572 1 34 . 1 1 3 3 A H5'' H 1 4.18 0.01 . 2 . . . . 3 A H5'' . 15572 1 35 . 1 1 3 3 A H8 H 1 7.98 0.01 . 1 . . . . 3 A H8 . 15572 1 36 . 1 1 3 3 A C1' C 13 92.90 0.10 . 1 . . . . 3 A C1' . 15572 1 37 . 1 1 3 3 A C2 C 13 152.30 0.10 . 1 . . . . 3 A C2 . 15572 1 38 . 1 1 3 3 A C2' C 13 75.60 0.10 . 1 . . . . 3 A C2' . 15572 1 39 . 1 1 3 3 A C3' C 13 73.00 0.10 . 1 . . . . 3 A C3' . 15572 1 40 . 1 1 3 3 A C4' C 13 82.00 0.20 . 1 . . . . 3 A C4' . 15572 1 41 . 1 1 3 3 A C8 C 13 139.40 0.10 . 1 . . . . 3 A C8 . 15572 1 42 . 1 1 3 3 A P P 31 -3.80 0.01 . 1 . . . . 3 A P . 15572 1 43 . 1 1 4 4 G H1 H 1 12.64 0.01 . 1 . . . . 4 G H1 . 15572 1 44 . 1 1 4 4 G H1' H 1 5.56 0.01 . 1 . . . . 4 G H1' . 15572 1 45 . 1 1 4 4 G H2' H 1 4.27 0.01 . 1 . . . . 4 G H2' . 15572 1 46 . 1 1 4 4 G H3' H 1 4.54 0.01 . 1 . . . . 4 G H3' . 15572 1 47 . 1 1 4 4 G H4' H 1 4.45 0.01 . 1 . . . . 4 G H4' . 15572 1 48 . 1 1 4 4 G H5' H 1 4.49 0.01 . 2 . . . . 4 G H5' . 15572 1 49 . 1 1 4 4 G H5'' H 1 4.08 0.01 . 2 . . . . 4 G H5'' . 15572 1 50 . 1 1 4 4 G H8 H 1 7.21 0.01 . 1 . . . . 4 G H8 . 15572 1 51 . 1 1 4 4 G C1' C 13 91.80 0.10 . 1 . . . . 4 G C1' . 15572 1 52 . 1 1 4 4 G C2' C 13 76.10 0.10 . 1 . . . . 4 G C2' . 15572 1 53 . 1 1 4 4 G C8 C 13 136.20 0.10 . 1 . . . . 4 G C8 . 15572 1 54 . 1 1 4 4 G P P 31 -3.90 0.01 . 1 . . . . 4 G P . 15572 1 55 . 1 1 5 5 A H1' H 1 5.93 0.01 . 1 . . . . 5 A H1' . 15572 1 56 . 1 1 5 5 A H2 H 1 7.42 0.01 . 1 . . . . 5 A H2 . 15572 1 57 . 1 1 5 5 A H2' H 1 4.42 0.01 . 1 . . . . 5 A H2' . 15572 1 58 . 1 1 5 5 A H3' H 1 4.71 0.01 . 1 . . . . 5 A H3' . 15572 1 59 . 1 1 5 5 A H4' H 1 4.47 0.01 . 1 . . . . 5 A H4' . 15572 1 60 . 1 1 5 5 A H5'' H 1 4.15 0.01 . 2 . . . . 5 A H5'' . 15572 1 61 . 1 1 5 5 A H8 H 1 7.88 0.01 . 1 . . . . 5 A H8 . 15572 1 62 . 1 1 5 5 A C1' C 13 91.40 0.10 . 1 . . . . 5 A C1' . 15572 1 63 . 1 1 5 5 A C2 C 13 154.20 0.10 . 1 . . . . 5 A C2 . 15572 1 64 . 1 1 5 5 A C2' C 13 76.30 0.10 . 1 . . . . 5 A C2' . 15572 1 65 . 1 1 5 5 A C3' C 13 74.60 0.10 . 1 . . . . 5 A C3' . 15572 1 66 . 1 1 5 5 A C4' C 13 83.50 0.10 . 1 . . . . 5 A C4' . 15572 1 67 . 1 1 5 5 A C8 C 13 140.50 0.10 . 1 . . . . 5 A C8 . 15572 1 68 . 1 1 5 5 A P P 31 -4.08 0.01 . 1 . . . . 5 A P . 15572 1 69 . 1 1 6 6 A H1' H 1 5.85 0.01 . 1 . . . . 6 A H1' . 15572 1 70 . 1 1 6 6 A H2 H 1 7.61 0.01 . 1 . . . . 6 A H2 . 15572 1 71 . 1 1 6 6 A H2' H 1 4.62 0.01 . 1 . . . . 6 A H2' . 15572 1 72 . 1 1 6 6 A H3' H 1 4.62 0.01 . 1 . . . . 6 A H3' . 15572 1 73 . 1 1 6 6 A H4' H 1 4.49 0.01 . 1 . . . . 6 A H4' . 15572 1 74 . 1 1 6 6 A H5' H 1 4.38 0.01 . 2 . . . . 6 A H5' . 15572 1 75 . 1 1 6 6 A H5'' H 1 4.16 0.01 . 2 . . . . 6 A H5'' . 15572 1 76 . 1 1 6 6 A H8 H 1 7.95 0.01 . 1 . . . . 6 A H8 . 15572 1 77 . 1 1 6 6 A C1' C 13 91.30 0.20 . 1 . . . . 6 A C1' . 15572 1 78 . 1 1 6 6 A C2 C 13 153.80 0.10 . 1 . . . . 6 A C2 . 15572 1 79 . 1 1 6 6 A C5' C 13 66.60 0.10 . 1 . . . . 6 A C5' . 15572 1 80 . 1 1 6 6 A C8 C 13 140.50 0.10 . 1 . . . . 6 A C8 . 15572 1 81 . 1 1 6 6 A P P 31 -4.16 0.01 . 1 . . . . 6 A P . 15572 1 82 . 1 1 7 7 G H1 H 1 12.37 0.01 . 1 . . . . 7 G H1 . 15572 1 83 . 1 1 7 7 G H1' H 1 5.62 0.01 . 1 . . . . 7 G H1' . 15572 1 84 . 1 1 7 7 G H2' H 1 4.61 0.01 . 1 . . . . 7 G H2' . 15572 1 85 . 1 1 7 7 G H3' H 1 4.46 0.01 . 1 . . . . 7 G H3' . 15572 1 86 . 1 1 7 7 G H4' H 1 4.48 0.01 . 1 . . . . 7 G H4' . 15572 1 87 . 1 1 7 7 G H5' H 1 4.37 0.01 . 2 . . . . 7 G H5' . 15572 1 88 . 1 1 7 7 G H5'' H 1 4.14 0.01 . 2 . . . . 7 G H5'' . 15572 1 89 . 1 1 7 7 G H8 H 1 7.31 0.01 . 1 . . . . 7 G H8 . 15572 1 90 . 1 1 7 7 G C1' C 13 92.30 0.10 . 1 . . . . 7 G C1' . 15572 1 91 . 1 1 7 7 G C2' C 13 75.30 0.10 . 1 . . . . 7 G C2' . 15572 1 92 . 1 1 7 7 G C5' C 13 66.80 0.10 . 1 . . . . 7 G C5' . 15572 1 93 . 1 1 7 7 G C8 C 13 136.70 0.10 . 1 . . . . 7 G C8 . 15572 1 94 . 1 1 7 7 G P P 31 -3.94 0.01 . 1 . . . . 7 G P . 15572 1 95 . 1 1 8 8 A H1' H 1 5.95 0.01 . 1 . . . . 8 A H1' . 15572 1 96 . 1 1 8 8 A H2 H 1 7.49 0.01 . 1 . . . . 8 A H2 . 15572 1 97 . 1 1 8 8 A H2' H 1 4.67 0.01 . 1 . . . . 8 A H2' . 15572 1 98 . 1 1 8 8 A H3' H 1 4.65 0.01 . 1 . . . . 8 A H3' . 15572 1 99 . 1 1 8 8 A H4' H 1 4.52 0.01 . 1 . . . . 8 A H4' . 15572 1 100 . 1 1 8 8 A H5'' H 1 4.16 0.01 . 2 . . . . 8 A H5'' . 15572 1 101 . 1 1 8 8 A H8 H 1 7.76 0.01 . 1 . . . . 8 A H8 . 15572 1 102 . 1 1 8 8 A C1' C 13 92.90 0.10 . 1 . . . . 8 A C1' . 15572 1 103 . 1 1 8 8 A C2 C 13 153.30 0.10 . 1 . . . . 8 A C2 . 15572 1 104 . 1 1 8 8 A C2' C 13 75.60 0.10 . 1 . . . . 8 A C2' . 15572 1 105 . 1 1 8 8 A C4' C 13 82.00 0.20 . 1 . . . . 8 A C4' . 15572 1 106 . 1 1 8 8 A C8 C 13 139.40 0.10 . 1 . . . . 8 A C8 . 15572 1 107 . 1 1 8 8 A P P 31 -4.10 0.01 . 1 . . . . 8 A P . 15572 1 108 . 1 1 9 9 G H1 H 1 13.47 0.01 . 1 . . . . 9 G H1 . 15572 1 109 . 1 1 9 9 G H1' H 1 5.64 0.01 . 1 . . . . 9 G H1' . 15572 1 110 . 1 1 9 9 G H2' H 1 4.44 0.01 . 1 . . . . 9 G H2' . 15572 1 111 . 1 1 9 9 G H3' H 1 4.43 0.01 . 1 . . . . 9 G H3' . 15572 1 112 . 1 1 9 9 G H4' H 1 4.43 0.01 . 1 . . . . 9 G H4' . 15572 1 113 . 1 1 9 9 G H5' H 1 4.49 0.01 . 2 . . . . 9 G H5' . 15572 1 114 . 1 1 9 9 G H5'' H 1 4.06 0.01 . 2 . . . . 9 G H5'' . 15572 1 115 . 1 1 9 9 G H8 H 1 7.25 0.01 . 1 . . . . 9 G H8 . 15572 1 116 . 1 1 9 9 G C1' C 13 92.60 0.10 . 1 . . . . 9 G C1' . 15572 1 117 . 1 1 9 9 G C2' C 13 75.30 0.10 . 1 . . . . 9 G C2' . 15572 1 118 . 1 1 9 9 G C3' C 13 72.70 0.10 . 1 . . . . 9 G C3' . 15572 1 119 . 1 1 9 9 G C4' C 13 81.90 0.20 . 1 . . . . 9 G C4' . 15572 1 120 . 1 1 9 9 G C8 C 13 135.50 0.10 . 1 . . . . 9 G C8 . 15572 1 121 . 1 1 9 9 G P P 31 -4.16 0.01 . 1 . . . . 9 G P . 15572 1 122 . 1 1 10 10 C H1' H 1 5.49 0.01 . 1 . . . . 10 C H1' . 15572 1 123 . 1 1 10 10 C H2' H 1 4.33 0.01 . 1 . . . . 10 C H2' . 15572 1 124 . 1 1 10 10 C H3' H 1 4.42 0.01 . 1 . . . . 10 C H3' . 15572 1 125 . 1 1 10 10 C H4' H 1 4.39 0.01 . 1 . . . . 10 C H4' . 15572 1 126 . 1 1 10 10 C H5 H 1 5.18 0.01 . 1 . . . . 10 C H5 . 15572 1 127 . 1 1 10 10 C H5' H 1 4.50 0.01 . 2 . . . . 10 C H5' . 15572 1 128 . 1 1 10 10 C H5'' H 1 4.04 0.01 . 2 . . . . 10 C H5'' . 15572 1 129 . 1 1 10 10 C H6 H 1 7.47 0.01 . 1 . . . . 10 C H6 . 15572 1 130 . 1 1 10 10 C H41 H 1 8.37 0.01 . 2 . . . . 10 C H41 . 15572 1 131 . 1 1 10 10 C H42 H 1 6.77 0.01 . 2 . . . . 10 C H42 . 15572 1 132 . 1 1 10 10 C C1' C 13 93.80 0.10 . 1 . . . . 10 C C1' . 15572 1 133 . 1 1 10 10 C C2' C 13 75.50 0.10 . 1 . . . . 10 C C2' . 15572 1 134 . 1 1 10 10 C C3' C 13 72.10 0.10 . 1 . . . . 10 C C3' . 15572 1 135 . 1 1 10 10 C C4' C 13 81.90 0.20 . 1 . . . . 10 C C4' . 15572 1 136 . 1 1 10 10 C C5 C 13 97.50 0.10 . 1 . . . . 10 C C5 . 15572 1 137 . 1 1 10 10 C C5' C 13 64.60 0.20 . 1 . . . . 10 C C5' . 15572 1 138 . 1 1 10 10 C C6 C 13 140.10 0.10 . 1 . . . . 10 C C6 . 15572 1 139 . 1 1 10 10 C P P 31 -4.41 0.01 . 1 . . . . 10 C P . 15572 1 140 . 1 1 11 11 G H1' H 1 5.86 0.01 . 1 . . . . 11 G H1' . 15572 1 141 . 1 1 11 11 G H2' H 1 4.09 0.01 . 1 . . . . 11 G H2' . 15572 1 142 . 1 1 11 11 G H3' H 1 4.28 0.01 . 1 . . . . 11 G H3' . 15572 1 143 . 1 1 11 11 G H4' H 1 4.22 0.01 . 1 . . . . 11 G H4' . 15572 1 144 . 1 1 11 11 G H5' H 1 4.44 0.01 . 2 . . . . 11 G H5' . 15572 1 145 . 1 1 11 11 G H5'' H 1 4.03 0.01 . 2 . . . . 11 G H5'' . 15572 1 146 . 1 1 11 11 G H8 H 1 7.60 0.01 . 1 . . . . 11 G H8 . 15572 1 147 . 1 1 11 11 G C1' C 13 91.30 0.20 . 1 . . . . 11 G C1' . 15572 1 148 . 1 1 11 11 G C2' C 13 77.80 0.10 . 1 . . . . 11 G C2' . 15572 1 149 . 1 1 11 11 G C3' C 13 70.40 0.10 . 1 . . . . 11 G C3' . 15572 1 150 . 1 1 11 11 G C4' C 13 83.90 0.10 . 1 . . . . 11 G C4' . 15572 1 151 . 1 1 11 11 G C5' C 13 65.60 0.20 . 1 . . . . 11 G C5' . 15572 1 152 . 1 1 11 11 G C8 C 13 137.30 0.10 . 1 . . . . 11 G C8 . 15572 1 153 . 1 1 11 11 G P P 31 -3.99 0.01 . 1 . . . . 11 G P . 15572 1 154 . 2 2 1 1 C H1' H 1 5.59 0.01 . 1 . . . . 1 C H1' . 15572 1 155 . 2 2 1 1 C H2' H 1 4.58 0.01 . 1 . . . . 1 C H2' . 15572 1 156 . 2 2 1 1 C H3' H 1 4.58 0.01 . 1 . . . . 1 C H3' . 15572 1 157 . 2 2 1 1 C H4' H 1 4.34 0.01 . 1 . . . . 1 C H4' . 15572 1 158 . 2 2 1 1 C H5 H 1 5.99 0.01 . 1 . . . . 1 C H5 . 15572 1 159 . 2 2 1 1 C H5' H 1 4.05 0.01 . 2 . . . . 1 C H5' . 15572 1 160 . 2 2 1 1 C H5'' H 1 3.93 0.01 . 2 . . . . 1 C H5'' . 15572 1 161 . 2 2 1 1 C H6 H 1 8.07 0.01 . 1 . . . . 1 C H6 . 15572 1 162 . 2 2 1 1 C H41 H 1 8.16 0.01 . 2 . . . . 1 C H41 . 15572 1 163 . 2 2 1 1 C H42 H 1 7.01 0.01 . 2 . . . . 1 C H42 . 15572 1 164 . 2 2 1 1 C C1' C 13 93.80 0.20 . 1 . . . . 1 C C1' . 15572 1 165 . 2 2 1 1 C C2' C 13 75.50 0.10 . 1 . . . . 1 C C2' . 15572 1 166 . 2 2 1 1 C C3' C 13 73.70 0.10 . 1 . . . . 1 C C3' . 15572 1 167 . 2 2 1 1 C C4' C 13 84.40 0.10 . 1 . . . . 1 C C4' . 15572 1 168 . 2 2 1 1 C C5 C 13 98.90 0.10 . 1 . . . . 1 C C5 . 15572 1 169 . 2 2 1 1 C C5' C 13 62.00 0.10 . 1 . . . . 1 C C5' . 15572 1 170 . 2 2 1 1 C C6 C 13 142.80 0.10 . 1 . . . . 1 C C6 . 15572 1 171 . 2 2 2 2 G H1 H 1 13.18 0.01 . 1 . . . . 2 G H1 . 15572 1 172 . 2 2 2 2 G H1' H 1 5.80 0.01 . 1 . . . . 2 G H1' . 15572 1 173 . 2 2 2 2 G H2' H 1 4.63 0.01 . 1 . . . . 2 G H2' . 15572 1 174 . 2 2 2 2 G H3' H 1 4.71 0.01 . 1 . . . . 2 G H3' . 15572 1 175 . 2 2 2 2 G H4' H 1 4.52 0.01 . 1 . . . . 2 G H4' . 15572 1 176 . 2 2 2 2 G H5'' H 1 4.19 0.01 . 2 . . . . 2 G H5'' . 15572 1 177 . 2 2 2 2 G H8 H 1 7.83 0.01 . 1 . . . . 2 G H8 . 15572 1 178 . 2 2 2 2 G C1' C 13 92.50 0.10 . 1 . . . . 2 G C1' . 15572 1 179 . 2 2 2 2 G C2' C 13 75.30 0.10 . 1 . . . . 2 G C2' . 15572 1 180 . 2 2 2 2 G C3' C 13 73.00 0.10 . 1 . . . . 2 G C3' . 15572 1 181 . 2 2 2 2 G C8 C 13 136.50 0.10 . 1 . . . . 2 G C8 . 15572 1 182 . 2 2 2 2 G P P 31 -3.91 0.01 . 1 . . . . 2 G P . 15572 1 183 . 2 2 3 3 C H1' H 1 5.56 0.01 . 1 . . . . 3 C H1' . 15572 1 184 . 2 2 3 3 C H2' H 1 4.42 0.01 . 1 . . . . 3 C H2' . 15572 1 185 . 2 2 3 3 C H3' H 1 4.48 0.01 . 1 . . . . 3 C H3' . 15572 1 186 . 2 2 3 3 C H4' H 1 4.48 0.01 . 1 . . . . 3 C H4' . 15572 1 187 . 2 2 3 3 C H5 H 1 5.31 0.01 . 1 . . . . 3 C H5 . 15572 1 188 . 2 2 3 3 C H5' H 1 4.59 0.01 . 2 . . . . 3 C H5' . 15572 1 189 . 2 2 3 3 C H5'' H 1 4.14 0.01 . 2 . . . . 3 C H5'' . 15572 1 190 . 2 2 3 3 C H6 H 1 7.77 0.01 . 1 . . . . 3 C H6 . 15572 1 191 . 2 2 3 3 C H41 H 1 8.63 0.01 . 2 . . . . 3 C H41 . 15572 1 192 . 2 2 3 3 C H42 H 1 6.89 0.01 . 2 . . . . 3 C H42 . 15572 1 193 . 2 2 3 3 C C1' C 13 94.00 0.20 . 1 . . . . 3 C C1' . 15572 1 194 . 2 2 3 3 C C2' C 13 75.40 0.10 . 1 . . . . 3 C C2' . 15572 1 195 . 2 2 3 3 C C3' C 13 72.30 0.10 . 1 . . . . 3 C C3' . 15572 1 196 . 2 2 3 3 C C4' C 13 82.00 0.20 . 1 . . . . 3 C C4' . 15572 1 197 . 2 2 3 3 C C5 C 13 97.20 0.10 . 1 . . . . 3 C C5 . 15572 1 198 . 2 2 3 3 C C6 C 13 141.30 0.10 . 1 . . . . 3 C C6 . 15572 1 199 . 2 2 3 3 C P P 31 -4.42 0.01 . 1 . . . . 3 C P . 15572 1 200 . 2 2 4 4 U H1' H 1 5.58 0.01 . 1 . . . . 4 U H1' . 15572 1 201 . 2 2 4 4 U H2' H 1 4.54 0.01 . 1 . . . . 4 U H2' . 15572 1 202 . 2 2 4 4 U H3 H 1 14.14 0.01 . 1 . . . . 4 U H3 . 15572 1 203 . 2 2 4 4 U H3' H 1 4.55 0.01 . 1 . . . . 4 U H3' . 15572 1 204 . 2 2 4 4 U H4' H 1 4.46 0.01 . 1 . . . . 4 U H4' . 15572 1 205 . 2 2 4 4 U H5 H 1 5.45 0.01 . 1 . . . . 4 U H5 . 15572 1 206 . 2 2 4 4 U H5'' H 1 4.13 0.01 . 2 . . . . 4 U H5'' . 15572 1 207 . 2 2 4 4 U H6 H 1 7.96 0.01 . 1 . . . . 4 U H6 . 15572 1 208 . 2 2 4 4 U C1' C 13 93.80 0.20 . 1 . . . . 4 U C1' . 15572 1 209 . 2 2 4 4 U C2' C 13 75.20 0.10 . 1 . . . . 4 U C2' . 15572 1 210 . 2 2 4 4 U C3' C 13 72.10 0.10 . 1 . . . . 4 U C3' . 15572 1 211 . 2 2 4 4 U C4' C 13 82.00 0.20 . 1 . . . . 4 U C4' . 15572 1 212 . 2 2 4 4 U C5 C 13 103.30 0.20 . 1 . . . . 4 U C5 . 15572 1 213 . 2 2 4 4 U C6 C 13 142.00 0.10 . 1 . . . . 4 U C6 . 15572 1 214 . 2 2 4 4 U P P 31 -4.44 0.01 . 1 . . . . 4 U P . 15572 1 215 . 2 2 5 5 C H1' H 1 5.66 0.01 . 1 . . . . 5 C H1' . 15572 1 216 . 2 2 5 5 C H2' H 1 4.32 0.01 . 1 . . . . 5 C H2' . 15572 1 217 . 2 2 5 5 C H3' H 1 4.52 0.01 . 1 . . . . 5 C H3' . 15572 1 218 . 2 2 5 5 C H4' H 1 4.46 0.01 . 1 . . . . 5 C H4' . 15572 1 219 . 2 2 5 5 C H5 H 1 5.74 0.01 . 1 . . . . 5 C H5 . 15572 1 220 . 2 2 5 5 C H5' H 1 4.58 0.01 . 2 . . . . 5 C H5' . 15572 1 221 . 2 2 5 5 C H5'' H 1 4.13 0.01 . 2 . . . . 5 C H5'' . 15572 1 222 . 2 2 5 5 C H6 H 1 7.92 0.01 . 1 . . . . 5 C H6 . 15572 1 223 . 2 2 5 5 C H41 H 1 8.38 0.01 . 2 . . . . 5 C H41 . 15572 1 224 . 2 2 5 5 C H42 H 1 7.08 0.01 . 2 . . . . 5 C H42 . 15572 1 225 . 2 2 5 5 C C1' C 13 94.10 0.10 . 1 . . . . 5 C C1' . 15572 1 226 . 2 2 5 5 C C2' C 13 75.70 0.10 . 1 . . . . 5 C C2' . 15572 1 227 . 2 2 5 5 C C3' C 13 72.40 0.10 . 1 . . . . 5 C C3' . 15572 1 228 . 2 2 5 5 C C4' C 13 82.00 0.20 . 1 . . . . 5 C C4' . 15572 1 229 . 2 2 5 5 C C5 C 13 97.70 0.10 . 1 . . . . 5 C C5 . 15572 1 230 . 2 2 5 5 C C6 C 13 141.90 0.20 . 1 . . . . 5 C C6 . 15572 1 231 . 2 2 5 5 C P P 31 -4.35 0.01 . 1 . . . . 5 C P . 15572 1 232 . 2 2 6 6 U H1' H 1 5.61 0.01 . 1 . . . . 6 U H1' . 15572 1 233 . 2 2 6 6 U H2' H 1 4.38 0.01 . 1 . . . . 6 U H2' . 15572 1 234 . 2 2 6 6 U H3 H 1 13.94 0.01 . 1 . . . . 6 U H3 . 15572 1 235 . 2 2 6 6 U H3' H 1 4.56 0.01 . 1 . . . . 6 U H3' . 15572 1 236 . 2 2 6 6 U H4' H 1 4.42 0.01 . 1 . . . . 6 U H4' . 15572 1 237 . 2 2 6 6 U H5 H 1 5.62 0.01 . 1 . . . . 6 U H5 . 15572 1 238 . 2 2 6 6 U H5'' H 1 4.11 0.01 . 2 . . . . 6 U H5'' . 15572 1 239 . 2 2 6 6 U H6 H 1 7.91 0.01 . 1 . . . . 6 U H6 . 15572 1 240 . 2 2 6 6 U C1' C 13 93.80 0.20 . 1 . . . . 6 U C1' . 15572 1 241 . 2 2 6 6 U C2' C 13 75.40 0.10 . 1 . . . . 6 U C2' . 15572 1 242 . 2 2 6 6 U C4' C 13 82.30 0.20 . 1 . . . . 6 U C4' . 15572 1 243 . 2 2 6 6 U C5 C 13 103.50 0.10 . 1 . . . . 6 U C5 . 15572 1 244 . 2 2 6 6 U C6 C 13 142.00 0.20 . 1 . . . . 6 U C6 . 15572 1 245 . 2 2 6 6 U P P 31 -4.49 0.01 . 1 . . . . 6 U P . 15572 1 246 . 2 2 7 7 C H1' H 1 5.35 0.01 . 1 . . . . 7 C H1' . 15572 1 247 . 2 2 7 7 C H2' H 1 4.31 0.01 . 1 . . . . 7 C H2' . 15572 1 248 . 2 2 7 7 C H3' H 1 4.50 0.01 . 1 . . . . 7 C H3' . 15572 1 249 . 2 2 7 7 C H4' H 1 4.41 0.01 . 1 . . . . 7 C H4' . 15572 1 250 . 2 2 7 7 C H5 H 1 5.79 0.01 . 1 . . . . 7 C H5 . 15572 1 251 . 2 2 7 7 C H5'' H 1 4.09 0.01 . 2 . . . . 7 C H5'' . 15572 1 252 . 2 2 7 7 C H6 H 1 7.93 0.01 . 1 . . . . 7 C H6 . 15572 1 253 . 2 2 7 7 C H41 H 1 8.43 0.01 . 2 . . . . 7 C H41 . 15572 1 254 . 2 2 7 7 C H42 H 1 7.17 0.01 . 2 . . . . 7 C H42 . 15572 1 255 . 2 2 7 7 C C1' C 13 93.90 0.10 . 1 . . . . 7 C C1' . 15572 1 256 . 2 2 7 7 C C2' C 13 75.10 0.10 . 1 . . . . 7 C C2' . 15572 1 257 . 2 2 7 7 C C5 C 13 97.60 0.10 . 1 . . . . 7 C C5 . 15572 1 258 . 2 2 7 7 C C6 C 13 142.10 0.20 . 1 . . . . 7 C C6 . 15572 1 259 . 2 2 7 7 C P P 31 -4.52 0.01 . 1 . . . . 7 C P . 15572 1 260 . 2 2 8 8 U H1' H 1 5.35 0.01 . 1 . . . . 8 U H1' . 15572 1 261 . 2 2 8 8 U H2' H 1 4.52 0.01 . 1 . . . . 8 U H2' . 15572 1 262 . 2 2 8 8 U H3 H 1 13.64 0.01 . 1 . . . . 8 U H3 . 15572 1 263 . 2 2 8 8 U H3' H 1 4.59 0.01 . 1 . . . . 8 U H3' . 15572 1 264 . 2 2 8 8 U H4' H 1 4.37 0.01 . 1 . . . . 8 U H4' . 15572 1 265 . 2 2 8 8 U H5 H 1 5.47 0.01 . 1 . . . . 8 U H5 . 15572 1 266 . 2 2 8 8 U H5'' H 1 4.08 0.01 . 2 . . . . 8 U H5'' . 15572 1 267 . 2 2 8 8 U H6 H 1 7.88 0.01 . 1 . . . . 8 U H6 . 15572 1 268 . 2 2 8 8 U C1' C 13 93.50 0.10 . 1 . . . . 8 U C1' . 15572 1 269 . 2 2 8 8 U C2' C 13 75.20 0.10 . 1 . . . . 8 U C2' . 15572 1 270 . 2 2 8 8 U C3' C 13 72.30 0.10 . 1 . . . . 8 U C3' . 15572 1 271 . 2 2 8 8 U C4' C 13 81.80 0.20 . 1 . . . . 8 U C4' . 15572 1 272 . 2 2 8 8 U C5 C 13 103.50 0.20 . 1 . . . . 8 U C5 . 15572 1 273 . 2 2 8 8 U C6 C 13 141.60 0.10 . 1 . . . . 8 U C6 . 15572 1 274 . 2 2 8 8 U P P 31 -4.41 0.01 . 1 . . . . 8 U P . 15572 1 275 . 2 2 9 9 G H1 H 1 12.61 0.01 . 1 . . . . 9 G H1 . 15572 1 276 . 2 2 9 9 G H1' H 1 5.77 0.01 . 1 . . . . 9 G H1' . 15572 1 277 . 2 2 9 9 G H2' H 1 4.35 0.01 . 1 . . . . 9 G H2' . 15572 1 278 . 2 2 9 9 G H3' H 1 4.61 0.01 . 1 . . . . 9 G H3' . 15572 1 279 . 2 2 9 9 G H4' H 1 4.42 0.01 . 1 . . . . 9 G H4' . 15572 1 280 . 2 2 9 9 G H5'' H 1 4.08 0.01 . 2 . . . . 9 G H5'' . 15572 1 281 . 2 2 9 9 G H8 H 1 7.72 0.01 . 1 . . . . 9 G H8 . 15572 1 282 . 2 2 9 9 G C1' C 13 92.70 0.10 . 1 . . . . 9 G C1' . 15572 1 283 . 2 2 9 9 G C2' C 13 75.40 0.10 . 1 . . . . 9 G C2' . 15572 1 284 . 2 2 9 9 G C4' C 13 81.90 0.20 . 1 . . . . 9 G C4' . 15572 1 285 . 2 2 9 9 G C8 C 13 136.30 0.10 . 1 . . . . 9 G C8 . 15572 1 286 . 2 2 9 9 G P P 31 -4.14 0.01 . 1 . . . . 9 G P . 15572 1 287 . 2 2 10 10 C H1' H 1 5.67 0.01 . 1 . . . . 10 C H1' . 15572 1 288 . 2 2 10 10 C H2' H 1 3.95 0.01 . 1 . . . . 10 C H2' . 15572 1 289 . 2 2 10 10 C H3' H 1 4.10 0.01 . 1 . . . . 10 C H3' . 15572 1 290 . 2 2 10 10 C H4' H 1 4.14 0.01 . 1 . . . . 10 C H4' . 15572 1 291 . 2 2 10 10 C H5 H 1 5.23 0.01 . 1 . . . . 10 C H5 . 15572 1 292 . 2 2 10 10 C H5' H 1 4.48 0.01 . 2 . . . . 10 C H5' . 15572 1 293 . 2 2 10 10 C H5'' H 1 4.00 0.01 . 2 . . . . 10 C H5'' . 15572 1 294 . 2 2 10 10 C H6 H 1 7.48 0.01 . 1 . . . . 10 C H6 . 15572 1 295 . 2 2 10 10 C H41 H 1 8.26 0.01 . 2 . . . . 10 C H41 . 15572 1 296 . 2 2 10 10 C H42 H 1 6.91 0.01 . 2 . . . . 10 C H42 . 15572 1 297 . 2 2 10 10 C C1' C 13 92.80 0.10 . 1 . . . . 10 C C1' . 15572 1 298 . 2 2 10 10 C C2' C 13 77.40 0.10 . 1 . . . . 10 C C2' . 15572 1 299 . 2 2 10 10 C C3' C 13 69.50 0.10 . 1 . . . . 10 C C3' . 15572 1 300 . 2 2 10 10 C C4' C 13 83.30 0.10 . 1 . . . . 10 C C4' . 15572 1 301 . 2 2 10 10 C C5 C 13 97.50 0.10 . 1 . . . . 10 C C5 . 15572 1 302 . 2 2 10 10 C C5' C 13 65.00 0.10 . 1 . . . . 10 C C5' . 15572 1 303 . 2 2 10 10 C C6 C 13 141.30 0.10 . 1 . . . . 10 C C6 . 15572 1 304 . 2 2 10 10 C P P 31 -4.32 0.01 . 1 . . . . 10 C P . 15572 1 stop_ save_