data_17504 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17504 _Entry.Title ; RNA Duplex-Quadruplex Junction Complex with FMRP RGG peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-03 _Entry.Accession_date 2011-03-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 'Anh Tuan' Phan . . . 17504 2 'Vitaly V' Kuryavyi . . . 17504 3 'Jennifer C' Darnell . . . 17504 4 Alexander Serganov . . . 17504 5 Ananya Majumdar . . . 17504 6 Serge Ilin . . . 17504 7 'Robert B' Darnell . . . 17504 8 'Dinshaw J' Patel . . . 17504 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17504 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FMRP RGG peptide' . 17504 'RNA duplex-quadruplex junction' . 17504 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17504 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 410 17504 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 2 . . 2011-07-08 2011-03-03 update BMRB 'update entry citation' 17504 1 . . 2011-06-07 2011-03-03 original author 'orginial release' 17504 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LA5 'BMRB Entry Tracking System' 17504 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17504 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21642970 _Citation.Full_citation . _Citation.Title 'Structure-function studies of FMRP RGG peptide recognition of an RNA duplex-quadruplex junction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 18 _Citation.Journal_issue 7 _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 796 _Citation.Page_last 804 _Citation.Year 2011 _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 'Anh Tuan' Phan . . . 17504 1 2 Vitaly Kuryavyi . . . 17504 1 3 Jennifer Darnell . C. . 17504 1 4 Alexander Serganov . . . 17504 1 5 Ananya Majumdar . . . 17504 1 6 Serge Ilin . . . 17504 1 7 Tanya Raslin . . . 17504 1 8 Anna Polonskaia . . . 17504 1 9 Cynthia Chen . . . 17504 1 10 David Clain . . . 17504 1 11 Robert Darnell . B. . 17504 1 12 Dinshaw Patel . J. . 17504 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17504 _Assembly.ID 1 _Assembly.Name 'RNA Duplex-Quadruplex Junction Complex with FMRP RGG peptide' _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 (36-MER)' 1 $RNA_(36-MER) A . yes native no no . . . 17504 1 2 entity_2 2 $entity_2 B . yes native no no . . . 17504 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(36-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(36-MER) _Entity.Entry_ID 17504 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(36-MER) _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 ; GCUGCGGUGUGGAAGGAGUG GCUGGGUUGCGCAGCG ; _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11805.102 _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 . 17504 1 2 . C . 17504 1 3 . U . 17504 1 4 . G . 17504 1 5 . C . 17504 1 6 . G . 17504 1 7 . G . 17504 1 8 . U . 17504 1 9 . G . 17504 1 10 . U . 17504 1 11 . G . 17504 1 12 . G . 17504 1 13 . A . 17504 1 14 . A . 17504 1 15 . G . 17504 1 16 . G . 17504 1 17 . A . 17504 1 18 . G . 17504 1 19 . U . 17504 1 20 . G . 17504 1 21 . G . 17504 1 22 . C . 17504 1 23 . U . 17504 1 24 . G . 17504 1 25 . G . 17504 1 26 . G . 17504 1 27 . U . 17504 1 28 . U . 17504 1 29 . G . 17504 1 30 . C . 17504 1 31 . G . 17504 1 32 . C . 17504 1 33 . A . 17504 1 34 . G . 17504 1 35 . C . 17504 1 36 . G . 17504 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 17504 1 . C 2 2 17504 1 . U 3 3 17504 1 . G 4 4 17504 1 . C 5 5 17504 1 . G 6 6 17504 1 . G 7 7 17504 1 . U 8 8 17504 1 . G 9 9 17504 1 . U 10 10 17504 1 . G 11 11 17504 1 . G 12 12 17504 1 . A 13 13 17504 1 . A 14 14 17504 1 . G 15 15 17504 1 . G 16 16 17504 1 . A 17 17 17504 1 . G 18 18 17504 1 . U 19 19 17504 1 . G 20 20 17504 1 . G 21 21 17504 1 . C 22 22 17504 1 . U 23 23 17504 1 . G 24 24 17504 1 . G 25 25 17504 1 . G 26 26 17504 1 . U 27 27 17504 1 . U 28 28 17504 1 . G 29 29 17504 1 . C 30 30 17504 1 . G 31 31 17504 1 . C 32 32 17504 1 . A 33 33 17504 1 . G 34 34 17504 1 . C 35 35 17504 1 . G 36 36 17504 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17504 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GPRRGDGRRRGGGGRGQ _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1757.934 _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 . GLY . 17504 2 2 . PRO . 17504 2 3 . ARG . 17504 2 4 . ARG . 17504 2 5 . GLY . 17504 2 6 . ASP . 17504 2 7 . GLY . 17504 2 8 . ARG . 17504 2 9 . ARG . 17504 2 10 . ARG . 17504 2 11 . GLY . 17504 2 12 . GLY . 17504 2 13 . GLY . 17504 2 14 . GLY . 17504 2 15 . ARG . 17504 2 16 . GLY . 17504 2 17 . GLN . 17504 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 . GLY 1 1 17504 2 . PRO 2 2 17504 2 . ARG 3 3 17504 2 . ARG 4 4 17504 2 . GLY 5 5 17504 2 . ASP 6 6 17504 2 . GLY 7 7 17504 2 . ARG 8 8 17504 2 . ARG 9 9 17504 2 . ARG 10 10 17504 2 . GLY 11 11 17504 2 . GLY 12 12 17504 2 . GLY 13 13 17504 2 . GLY 14 14 17504 2 . ARG 15 15 17504 2 . GLY 16 16 17504 2 . GLN 17 17 17504 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 17504 _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_(36-MER) . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17504 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17504 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 17504 _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_(36-MER) . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17504 1 2 2 $entity_2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17504 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17504 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' 'natural abundance' . . 1 $RNA_(36-MER) . . 1 . . mM . . . . 17504 1 2 Peptide 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 17504 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17504 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(36-MER) . . 0.5 . . mM . . . . 17504 2 2 Peptide 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 17504 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17504 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' 'natural abundance' . . 1 $RNA_(36-MER) . . 0.5 . . mM . . . . 17504 3 2 Peptide '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 17504 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17504 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(36-MER) . . 0.2-0.5 . . mM . . . . 17504 4 2 Peptide '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.2-0.5 . . mM . . . . 17504 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17504 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' '[U-13C; U-15N]-Gua' . . 1 $RNA_(36-MER) . . 0.5 . . mM . . . . 17504 5 2 Peptide 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 17504 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 17504 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' '[U-13C; U-15N]-Ade' . . 1 $RNA_(36-MER) . . 0.2 . . mM . . . . 17504 6 2 Peptide 'natural abundance' . . 2 $entity_2 . . 0.2 . . mM . . . . 17504 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 17504 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' '[U-13C; U-15N]-Cyt' . . 1 $RNA_(36-MER) . . 0.2 . . mM . . . . 17504 7 2 Peptide 'natural abundance' . . 2 $entity_2 . . 0.2 . . mM . . . . 17504 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 17504 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' '[U-13C; U-15N]-Ura' . . 1 $RNA_(36-MER) . . 0.2 . . mM . . . . 17504 8 2 Peptide 'natural abundance' . . 2 $entity_2 . . 0.2 . . mM . . . . 17504 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 17504 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O and 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 (36-MER)' 'rG-to-dG and rU-to-dU 2% 15N-labelled' . . 1 $RNA_(36-MER) . . 0.2 . . mM . . . . 17504 9 2 Peptide 'natural abundance' . . 2 $entity_2 . . 0.2 . . mM . . . . 17504 9 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 17504 _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' 0.050 . M 17504 1 pH 6.8 . pH 17504 1 pressure 1 . atm 17504 1 temperature 298 . K 17504 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17504 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17504 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17504 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17504 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17504 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17504 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17504 _Software.ID 3 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17504 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17504 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17504 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17504 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17504 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17504 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17504 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17504 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17504 _Software.ID 6 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'K. Wuthrich' . . 17504 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17504 6 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 17504 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 17504 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17504 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17504 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17504 _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 Unity . 600 . . . 17504 1 2 spectrometer_2 Bruker Avance . 600 . . . 17504 1 3 spectrometer_3 Bruker Avance . 700 . . . 17504 1 4 spectrometer_4 Bruker Avance . 800 . . . 17504 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 17504 _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 JR no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17504 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17504 1 3 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17504 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17504 1 7 '2D 13C-1H CTHSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 8 HNH-COSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 9 HNN-COSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17504 1 10 HCCH-COSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17504 1 11 HCCH-TOCSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 12 '13C-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 13 '15N-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 14 '15N-1H HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17504 1 15 '13C-1H HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 16 HNCA no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 17 HNCO no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 18 HNCOCA no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 19 HNCACB no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 20 HBHACONH no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 21 HCCH-TOCSY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 22 HCCH-COSY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 23 '13C-edited NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17504 1 24 '15N-edited NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17504 1 25 HNN-COSY no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 26 '13C-edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 27 '15N-edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 28 CTHSQC no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 29 HCCH-COSY no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 30 HCCH-TOCSY no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 31 '13C-edited NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 32 CTHSQC no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 33 HCCH-COSY no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 34 HCCH-TOCSY no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 35 '13C-edited NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 36 CTHSQC no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 37 HCCH-COSY no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 38 HCCH-TOCSY no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 39 '13C-edited NOESY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 40 CTHSQC no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 41 HCCH-COSY no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 42 HCCH-TOCSY no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 43 '13C-edited NOESY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 44 '1D 15N-filtered' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 1 45 '2D NOESY' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17504 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 17504 _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 H 1 water protons . . . . ppm 4.75 internal direct 1.0 . . . . . . . . . 17504 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 17504 _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 JR . . . 17504 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 . 2 2 1 1 GLY HA2 H 1 3.849 . . . . . . B 1 GLY HA2 . 17504 1 2 . 2 2 2 2 PRO HA H 1 4.532 . . 1 . . . B 2 PRO HA . 17504 1 3 . 2 2 2 2 PRO HB2 H 1 2.122 . . . . . . B 2 PRO HB2 . 17504 1 4 . 2 2 2 2 PRO HB3 H 1 2.018 . . . . . . B 2 PRO HB3 . 17504 1 5 . 2 2 2 2 PRO HG2 H 1 1.903 . . . . . . B 2 PRO HG2 . 17504 1 6 . 2 2 2 2 PRO HD2 H 1 3.562 . . . . . . B 2 PRO HD2 . 17504 1 7 . 2 2 2 2 PRO HD3 H 1 3.408 . . . . . . B 2 PRO HD3 . 17504 1 8 . 2 2 3 3 ARG H H 1 9.218 . . 1 . . . B 3 ARG H . 17504 1 9 . 2 2 3 3 ARG HA H 1 4.040 . . 1 . . . B 3 ARG HA . 17504 1 10 . 2 2 3 3 ARG HB2 H 1 1.692 . . . . . . B 3 ARG HB2 . 17504 1 11 . 2 2 3 3 ARG HB3 H 1 1.219 . . . . . . B 3 ARG HB3 . 17504 1 12 . 2 2 3 3 ARG HG2 H 1 1.510 . . . . . . B 3 ARG HG2 . 17504 1 13 . 2 2 3 3 ARG HG3 H 1 1.413 . . . . . . B 3 ARG HG3 . 17504 1 14 . 2 2 3 3 ARG HD2 H 1 2.600 . . . . . . B 3 ARG HD2 . 17504 1 15 . 2 2 3 3 ARG HE H 1 6.931 . . 1 . . . B 3 ARG HE . 17504 1 16 . 2 2 4 4 ARG H H 1 7.907 . . 1 . . . B 4 ARG H . 17504 1 17 . 2 2 4 4 ARG HA H 1 4.415 . . 1 . . . B 4 ARG HA . 17504 1 18 . 2 2 4 4 ARG HB2 H 1 1.871 . . . . . . B 4 ARG HB2 . 17504 1 19 . 2 2 4 4 ARG HB3 H 1 1.600 . . . . . . B 4 ARG HB3 . 17504 1 20 . 2 2 4 4 ARG HG2 H 1 1.402 . . . . . . B 4 ARG HG2 . 17504 1 21 . 2 2 4 4 ARG HG3 H 1 1.321 . . . . . . B 4 ARG HG3 . 17504 1 22 . 2 2 4 4 ARG HD2 H 1 3.070 . . . . . . B 4 ARG HD2 . 17504 1 23 . 2 2 4 4 ARG HD3 H 1 3.030 . . . . . . B 4 ARG HD3 . 17504 1 24 . 2 2 4 4 ARG HE H 1 7.520 . . 1 . . . B 4 ARG HE . 17504 1 25 . 2 2 5 5 GLY H H 1 8.537 . . 1 . . . B 5 GLY H . 17504 1 26 . 2 2 5 5 GLY HA2 H 1 3.888 . . . . . . B 5 GLY HA2 . 17504 1 27 . 2 2 6 6 ASP H H 1 8.020 . . 1 . . . B 6 ASP H . 17504 1 28 . 2 2 6 6 ASP HA H 1 4.662 . . 1 . . . B 6 ASP HA . 17504 1 29 . 2 2 6 6 ASP HB2 H 1 2.858 . . . . . . B 6 ASP HB2 . 17504 1 30 . 2 2 6 6 ASP HB3 H 1 2.561 . . . . . . B 6 ASP HB3 . 17504 1 31 . 2 2 7 7 GLY H H 1 7.984 . . 1 . . . B 7 GLY H . 17504 1 32 . 2 2 7 7 GLY HA2 H 1 4.190 . . . . . . B 7 GLY HA2 . 17504 1 33 . 2 2 7 7 GLY HA3 H 1 3.529 . . . . . . B 7 GLY HA3 . 17504 1 34 . 2 2 8 8 ARG H H 1 8.669 . . 1 . . . B 8 ARG H . 17504 1 35 . 2 2 8 8 ARG HA H 1 3.937 . . 1 . . . B 8 ARG HA . 17504 1 36 . 2 2 8 8 ARG HB2 H 1 1.641 . . . . . . B 8 ARG HB2 . 17504 1 37 . 2 2 8 8 ARG HB3 H 1 1.413 . . . . . . B 8 ARG HB3 . 17504 1 38 . 2 2 8 8 ARG HG2 H 1 1.895 . . . . . . B 8 ARG HG2 . 17504 1 39 . 2 2 8 8 ARG HG3 H 1 1.608 . . . . . . B 8 ARG HG3 . 17504 1 40 . 2 2 8 8 ARG HD2 H 1 3.011 . . . . . . B 8 ARG HD2 . 17504 1 41 . 2 2 8 8 ARG HD3 H 1 2.752 . . . . . . B 8 ARG HD3 . 17504 1 42 . 2 2 8 8 ARG HE H 1 6.524 . . 1 . . . B 8 ARG HE . 17504 1 43 . 2 2 9 9 ARG H H 1 8.983 . . 1 . . . B 9 ARG H . 17504 1 44 . 2 2 9 9 ARG HA H 1 4.033 . . 1 . . . B 9 ARG HA . 17504 1 45 . 2 2 9 9 ARG HB2 H 1 1.668 . . . . . . B 9 ARG HB2 . 17504 1 46 . 2 2 9 9 ARG HB3 H 1 1.656 . . . . . . B 9 ARG HB3 . 17504 1 47 . 2 2 9 9 ARG HG2 H 1 1.590 . . . . . . B 9 ARG HG2 . 17504 1 48 . 2 2 9 9 ARG HG3 H 1 1.563 . . . . . . B 9 ARG HG3 . 17504 1 49 . 2 2 9 9 ARG HD2 H 1 3.205 . . . . . . B 9 ARG HD2 . 17504 1 50 . 2 2 9 9 ARG HD3 H 1 3.175 . . . . . . B 9 ARG HD3 . 17504 1 51 . 2 2 9 9 ARG HE H 1 7.164 . . 1 . . . B 9 ARG HE . 17504 1 52 . 2 2 10 10 ARG H H 1 7.181 . . 1 . . . B 10 ARG H . 17504 1 53 . 2 2 10 10 ARG HA H 1 4.543 . . 1 . . . B 10 ARG HA . 17504 1 54 . 2 2 10 10 ARG HB2 H 1 1.727 . . . . . . B 10 ARG HB2 . 17504 1 55 . 2 2 10 10 ARG HB3 H 1 1.230 . . . . . . B 10 ARG HB3 . 17504 1 56 . 2 2 10 10 ARG HG2 H 1 1.052 . . . . . . B 10 ARG HG2 . 17504 1 57 . 2 2 10 10 ARG HG3 H 1 0.656 . . . . . . B 10 ARG HG3 . 17504 1 58 . 2 2 10 10 ARG HD2 H 1 3.022 . . . . . . B 10 ARG HD2 . 17504 1 59 . 2 2 10 10 ARG HD3 H 1 2.929 . . . . . . B 10 ARG HD3 . 17504 1 60 . 2 2 10 10 ARG HE H 1 7.809 . . 1 . . . B 10 ARG HE . 17504 1 61 . 2 2 10 10 ARG HH21 H 1 7.994 . . . . . . B 10 ARG HH21 . 17504 1 62 . 2 2 10 10 ARG HH22 H 1 6.820 . . . . . . B 10 ARG HH22 . 17504 1 63 . 2 2 10 10 ARG HH11 H 1 5.642 . . . . . . B 10 ARG HH11 . 17504 1 64 . 2 2 11 11 GLY H H 1 8.171 . . 1 . . . B 11 GLY H . 17504 1 65 . 2 2 11 11 GLY HA2 H 1 4.022 . . . . . . B 11 GLY HA2 . 17504 1 66 . 2 2 11 11 GLY HA3 H 1 3.026 . . . . . . B 11 GLY HA3 . 17504 1 67 . 2 2 12 12 GLY H H 1 8.467 . . 1 . . . B 12 GLY H . 17504 1 68 . 2 2 12 12 GLY HA2 H 1 3.431 . . . . . . B 12 GLY HA2 . 17504 1 69 . 2 2 12 12 GLY HA3 H 1 3.209 . . . . . . B 12 GLY HA3 . 17504 1 70 . 2 2 13 13 GLY H H 1 8.644 . . 1 . . . B 13 GLY H . 17504 1 71 . 2 2 13 13 GLY HA2 H 1 3.857 . . . . . . B 13 GLY HA2 . 17504 1 72 . 2 2 13 13 GLY HA3 H 1 3.709 . . . . . . B 13 GLY HA3 . 17504 1 73 . 2 2 14 14 GLY H H 1 7.936 . . 1 . . . B 14 GLY H . 17504 1 74 . 2 2 14 14 GLY HA2 H 1 4.016 . . . . . . B 14 GLY HA2 . 17504 1 75 . 2 2 14 14 GLY HA3 H 1 3.133 . . . . . . B 14 GLY HA3 . 17504 1 76 . 2 2 15 15 ARG H H 1 7.185 . . 1 . . . B 15 ARG H . 17504 1 77 . 2 2 15 15 ARG HA H 1 3.791 . . 1 . . . B 15 ARG HA . 17504 1 78 . 2 2 15 15 ARG HB2 H 1 0.937 . . . . . . B 15 ARG HB2 . 17504 1 79 . 2 2 15 15 ARG HB3 H 1 0.688 . . . . . . B 15 ARG HB3 . 17504 1 80 . 2 2 15 15 ARG HG2 H 1 0.944 . . . . . . B 15 ARG HG2 . 17504 1 81 . 2 2 15 15 ARG HG3 H 1 0.479 . . . . . . B 15 ARG HG3 . 17504 1 82 . 2 2 15 15 ARG HD2 H 1 2.630 . . . . . . B 15 ARG HD2 . 17504 1 83 . 2 2 15 15 ARG HD3 H 1 1.991 . . . . . . B 15 ARG HD3 . 17504 1 84 . 2 2 15 15 ARG HE H 1 7.200 . . 1 . . . B 15 ARG HE . 17504 1 85 . 2 2 15 15 ARG HH21 H 1 8.109 . . . . . . B 15 ARG HH21 . 17504 1 86 . 2 2 16 16 GLY H H 1 8.952 . . 1 . . . B 16 GLY H . 17504 1 87 . 2 2 16 16 GLY HA2 H 1 4.155 . . . . . . B 16 GLY HA2 . 17504 1 88 . 2 2 16 16 GLY HA3 H 1 3.572 . . . . . . B 16 GLY HA3 . 17504 1 89 . 2 2 17 17 GLN H H 1 8.060 . . 1 . . . B 17 GLN H . 17504 1 90 . 2 2 17 17 GLN HA H 1 4.462 . . 1 . . . B 17 GLN HA . 17504 1 91 . 2 2 17 17 GLN HB2 H 1 2.167 . . . . . . B 17 GLN HB2 . 17504 1 92 . 2 2 17 17 GLN HB3 H 1 1.366 . . . . . . B 17 GLN HB3 . 17504 1 93 . 2 2 17 17 GLN HG2 H 1 2.016 . . . . . . B 17 GLN HG2 . 17504 1 94 . 2 2 17 17 GLN HG3 H 1 1.877 . . . . . . B 17 GLN HG3 . 17504 1 95 . 2 2 17 17 GLN HE21 H 1 6.950 . . . . . . B 17 GLN HE21 . 17504 1 96 . 2 2 17 17 GLN HE22 H 1 6.794 . . . . . . B 17 GLN HE22 . 17504 1 97 . 1 1 1 1 G H1 H 1 13.246 . . 1 . . . A 1 G H1 . 17504 1 98 . 1 1 1 1 G H1' H 1 5.8 . . 1 . . . A 1 G H1' . 17504 1 99 . 1 1 1 1 G H2' H 1 4.665 . . 1 . . . A 1 G H2' . 17504 1 100 . 1 1 1 1 G H3' H 1 4.507 . . 1 . . . A 1 G H3' . 17504 1 101 . 1 1 1 1 G H4' H 1 4.345 . . 1 . . . A 1 G H4' . 17504 1 102 . 1 1 1 1 G H5' H 1 3.996 . . . . . . A 1 G H5' . 17504 1 103 . 1 1 1 1 G H5'' H 1 3.69 . . . . . . A 1 G H5'' . 17504 1 104 . 1 1 1 1 G H8 H 1 8.173 . . 1 . . . A 1 G H8 . 17504 1 105 . 1 1 2 2 C H1' H 1 5.624 . . 1 . . . A 2 C H1' . 17504 1 106 . 1 1 2 2 C H2' H 1 4.362 . . 1 . . . A 2 C H2' . 17504 1 107 . 1 1 2 2 C H3' H 1 4.254 . . 1 . . . A 2 C H3' . 17504 1 108 . 1 1 2 2 C H4' H 1 4.334 . . 1 . . . A 2 C H4' . 17504 1 109 . 1 1 2 2 C H5 H 1 5.562 . . 1 . . . A 2 C H5 . 17504 1 110 . 1 1 2 2 C H5' H 1 4.55 . . . . . . A 2 C H5' . 17504 1 111 . 1 1 2 2 C H5'' H 1 3.969 . . . . . . A 2 C H5'' . 17504 1 112 . 1 1 2 2 C H6 H 1 7.729 . . 1 . . . A 2 C H6 . 17504 1 113 . 1 1 2 2 C H41 H 1 6.803 . . . . . . A 2 C H41 . 17504 1 114 . 1 1 2 2 C H42 H 1 8.313 . . . . . . A 2 C H42 . 17504 1 115 . 1 1 3 3 U H1' H 1 5.444 . . 1 . . . A 3 U H1' . 17504 1 116 . 1 1 3 3 U H2' H 1 4.247 . . 1 . . . A 3 U H2' . 17504 1 117 . 1 1 3 3 U H3 H 1 13.868 . . 1 . . . A 3 U H3 . 17504 1 118 . 1 1 3 3 U H3' H 1 4.298 . . 1 . . . A 3 U H3' . 17504 1 119 . 1 1 3 3 U H4' H 1 4.371 . . 1 . . . A 3 U H4' . 17504 1 120 . 1 1 3 3 U H5 H 1 4.507 . . 1 . . . A 3 U H5 . 17504 1 121 . 1 1 3 3 U H5' H 1 4.339 . . . . . . A 3 U H5' . 17504 1 122 . 1 1 3 3 U H5'' H 1 3.94 . . . . . . A 3 U H5'' . 17504 1 123 . 1 1 3 3 U H6 H 1 7.2 . . 1 . . . A 3 U H6 . 17504 1 124 . 1 1 4 4 G H1 H 1 12.082 . . 1 . . . A 4 G H1 . 17504 1 125 . 1 1 4 4 G H1' H 1 5.647 . . 1 . . . A 4 G H1' . 17504 1 126 . 1 1 4 4 G H2' H 1 3.99 . . 1 . . . A 4 G H2' . 17504 1 127 . 1 1 4 4 G H3' H 1 4.375 . . 1 . . . A 4 G H3' . 17504 1 128 . 1 1 4 4 G H4' H 1 4.306 . . 1 . . . A 4 G H4' . 17504 1 129 . 1 1 4 4 G H5' H 1 4.441 . . . . . . A 4 G H5' . 17504 1 130 . 1 1 4 4 G H5'' H 1 3.94 . . . . . . A 4 G H5'' . 17504 1 131 . 1 1 4 4 G H8 H 1 7.617 . . 1 . . . A 4 G H8 . 17504 1 132 . 1 1 5 5 C H1' H 1 5.491 . . 1 . . . A 5 C H1' . 17504 1 133 . 1 1 5 5 C H2' H 1 3.613 . . 1 . . . A 5 C H2' . 17504 1 134 . 1 1 5 5 C H3' H 1 4.52 . . 1 . . . A 5 C H3' . 17504 1 135 . 1 1 5 5 C H4' H 1 4.308 . . 1 . . . A 5 C H4' . 17504 1 136 . 1 1 5 5 C H5 H 1 4.195 . . 1 . . . A 5 C H5 . 17504 1 137 . 1 1 5 5 C H5' H 1 4.378 . . . . . . A 5 C H5' . 17504 1 138 . 1 1 5 5 C H5'' H 1 4.065 . . . . . . A 5 C H5'' . 17504 1 139 . 1 1 5 5 C H6 H 1 7.187 . . 1 . . . A 5 C H6 . 17504 1 140 . 1 1 5 5 C H41 H 1 7.225 . . . . . . A 5 C H41 . 17504 1 141 . 1 1 5 5 C H42 H 1 8.87 . . . . . . A 5 C H42 . 17504 1 142 . 1 1 6 6 G H1 H 1 11.38 . . 1 . . . A 6 G H1 . 17504 1 143 . 1 1 6 6 G H1' H 1 5.973 . . 1 . . . A 6 G H1' . 17504 1 144 . 1 1 6 6 G H2' H 1 5.2 . . 1 . . . A 6 G H2' . 17504 1 145 . 1 1 6 6 G H3' H 1 4.885 . . 1 . . . A 6 G H3' . 17504 1 146 . 1 1 6 6 G H4' H 1 4.256 . . 1 . . . A 6 G H4' . 17504 1 147 . 1 1 6 6 G H5' H 1 4.444 . . . . . . A 6 G H5' . 17504 1 148 . 1 1 6 6 G H5'' H 1 4.225 . . . . . . A 6 G H5'' . 17504 1 149 . 1 1 6 6 G H8 H 1 7.503 . . 1 . . . A 6 G H8 . 17504 1 150 . 1 1 6 6 G H21 H 1 9.391 . . . . . . A 6 G H21 . 17504 1 151 . 1 1 6 6 G H22 H 1 6.994 . . . . . . A 6 G H22 . 17504 1 152 . 1 1 7 7 G H1 H 1 12.43 . . 1 . . . A 7 G H1 . 17504 1 153 . 1 1 7 7 G H1' H 1 5.58 . . 1 . . . A 7 G H1' . 17504 1 154 . 1 1 7 7 G H2' H 1 6.299 . . 1 . . . A 7 G H2' . 17504 1 155 . 1 1 7 7 G H3' H 1 4.014 . . 1 . . . A 7 G H3' . 17504 1 156 . 1 1 7 7 G H4' H 1 4.516 . . 1 . . . A 7 G H4' . 17504 1 157 . 1 1 7 7 G H5' H 1 4.517 . . . . . . A 7 G H5' . 17504 1 158 . 1 1 7 7 G H5'' H 1 3.545 . . . . . . A 7 G H5'' . 17504 1 159 . 1 1 7 7 G H8 H 1 7.182 . . 1 . . . A 7 G H8 . 17504 1 160 . 1 1 7 7 G H21 H 1 7.998 . . . . . . A 7 G H21 . 17504 1 161 . 1 1 7 7 G H22 H 1 5.476 . . . . . . A 7 G H22 . 17504 1 162 . 1 1 8 8 U H1' H 1 5.244 . . 1 . . . A 8 U H1' . 17504 1 163 . 1 1 8 8 U H2' H 1 3.586 . . 1 . . . A 8 U H2' . 17504 1 164 . 1 1 8 8 U H3 H 1 12.293 . . 1 . . . A 8 U H3 . 17504 1 165 . 1 1 8 8 U H3' H 1 4.363 . . 1 . . . A 8 U H3' . 17504 1 166 . 1 1 8 8 U H4' H 1 4.364 . . 1 . . . A 8 U H4' . 17504 1 167 . 1 1 8 8 U H5 H 1 4.195 . . 1 . . . A 8 U H5 . 17504 1 168 . 1 1 8 8 U H5' H 1 4.364 . . . . . . A 8 U H5' . 17504 1 169 . 1 1 8 8 U H5'' H 1 4.155 . . . . . . A 8 U H5'' . 17504 1 170 . 1 1 8 8 U H6 H 1 7.365 . . 1 . . . A 8 U H6 . 17504 1 171 . 1 1 9 9 G H1 H 1 11.61 . . 1 . . . A 9 G H1 . 17504 1 172 . 1 1 9 9 G H1' H 1 5.958 . . 1 . . . A 9 G H1' . 17504 1 173 . 1 1 9 9 G H2' H 1 4.512 . . 1 . . . A 9 G H2' . 17504 1 174 . 1 1 9 9 G H3' H 1 4.921 . . 1 . . . A 9 G H3' . 17504 1 175 . 1 1 9 9 G H4' H 1 4.58 . . 1 . . . A 9 G H4' . 17504 1 176 . 1 1 9 9 G H5' H 1 4.586 . . . . . . A 9 G H5' . 17504 1 177 . 1 1 9 9 G H5'' H 1 3.977 . . . . . . A 9 G H5'' . 17504 1 178 . 1 1 9 9 G H8 H 1 7.435 . . 1 . . . A 9 G H8 . 17504 1 179 . 1 1 9 9 G H21 H 1 9.23 . . . . . . A 9 G H21 . 17504 1 180 . 1 1 9 9 G H22 H 1 6.225 . . . . . . A 9 G H22 . 17504 1 181 . 1 1 10 10 U H1' H 1 6.146 . . 1 . . . A 10 U H1' . 17504 1 182 . 1 1 10 10 U H2' H 1 4.546 . . 1 . . . A 10 U H2' . 17504 1 183 . 1 1 10 10 U H3' H 1 4.791 . . 1 . . . A 10 U H3' . 17504 1 184 . 1 1 10 10 U H4' H 1 4.47 . . 1 . . . A 10 U H4' . 17504 1 185 . 1 1 10 10 U H5 H 1 6.006 . . 1 . . . A 10 U H5 . 17504 1 186 . 1 1 10 10 U H5' H 1 4.704 . . . . . . A 10 U H5' . 17504 1 187 . 1 1 10 10 U H5'' H 1 4.06 . . . . . . A 10 U H5'' . 17504 1 188 . 1 1 10 10 U H6 H 1 7.936 . . 1 . . . A 10 U H6 . 17504 1 189 . 1 1 11 11 G H1 H 1 11.382 . . 1 . . . A 11 G H1 . 17504 1 190 . 1 1 11 11 G H1' H 1 5.64 . . 1 . . . A 11 G H1' . 17504 1 191 . 1 1 11 11 G H2' H 1 4.795 . . 1 . . . A 11 G H2' . 17504 1 192 . 1 1 11 11 G H3' H 1 4.632 . . 1 . . . A 11 G H3' . 17504 1 193 . 1 1 11 11 G H4' H 1 4.37 . . 1 . . . A 11 G H4' . 17504 1 194 . 1 1 11 11 G H5' H 1 4.513 . . . . . . A 11 G H5' . 17504 1 195 . 1 1 11 11 G H5'' H 1 4.011 . . . . . . A 11 G H5'' . 17504 1 196 . 1 1 11 11 G H8 H 1 7.822 . . 1 . . . A 11 G H8 . 17504 1 197 . 1 1 12 12 G H1 H 1 11.281 . . 1 . . . A 12 G H1 . 17504 1 198 . 1 1 12 12 G H1' H 1 6.232 . . 1 . . . A 12 G H1' . 17504 1 199 . 1 1 12 12 G H2' H 1 4.318 . . 1 . . . A 12 G H2' . 17504 1 200 . 1 1 12 12 G H3' H 1 4.841 . . 1 . . . A 12 G H3' . 17504 1 201 . 1 1 12 12 G H4' H 1 4.572 . . 1 . . . A 12 G H4' . 17504 1 202 . 1 1 12 12 G H5' H 1 4.5 . . . . . . A 12 G H5' . 17504 1 203 . 1 1 12 12 G H5'' H 1 4.119 . . . . . . A 12 G H5'' . 17504 1 204 . 1 1 12 12 G H8 H 1 7.211 . . 1 . . . A 12 G H8 . 17504 1 205 . 1 1 13 13 A H1' H 1 6.191 . . 1 . . . A 13 A H1' . 17504 1 206 . 1 1 13 13 A H2 H 1 8.218 . . 1 . . . A 13 A H2 . 17504 1 207 . 1 1 13 13 A H2' H 1 4.862 . . 1 . . . A 13 A H2' . 17504 1 208 . 1 1 13 13 A H3' H 1 4.876 . . 1 . . . A 13 A H3' . 17504 1 209 . 1 1 13 13 A H4' H 1 4.626 . . 1 . . . A 13 A H4' . 17504 1 210 . 1 1 13 13 A H5' H 1 4.292 . . . . . . A 13 A H5' . 17504 1 211 . 1 1 13 13 A H5'' H 1 4.242 . . . . . . A 13 A H5'' . 17504 1 212 . 1 1 13 13 A H8 H 1 8.481 . . 1 . . . A 13 A H8 . 17504 1 213 . 1 1 14 14 A H1' H 1 5.76 . . 1 . . . A 14 A H1' . 17504 1 214 . 1 1 14 14 A H2 H 1 7.257 . . 1 . . . A 14 A H2 . 17504 1 215 . 1 1 14 14 A H2' H 1 4.624 . . 1 . . . A 14 A H2' . 17504 1 216 . 1 1 14 14 A H3' H 1 4.619 . . 1 . . . A 14 A H3' . 17504 1 217 . 1 1 14 14 A H4' H 1 4.417 . . 1 . . . A 14 A H4' . 17504 1 218 . 1 1 14 14 A H5' H 1 4.47 . . . . . . A 14 A H5' . 17504 1 219 . 1 1 14 14 A H5'' H 1 4.21 . . . . . . A 14 A H5'' . 17504 1 220 . 1 1 14 14 A H8 H 1 8.114 . . 1 . . . A 14 A H8 . 17504 1 221 . 1 1 15 15 G H1 H 1 11.984 . . 1 . . . A 15 G H1 . 17504 1 222 . 1 1 15 15 G H1' H 1 5.414 . . 1 . . . A 15 G H1' . 17504 1 223 . 1 1 15 15 G H2' H 1 4.128 . . 1 . . . A 15 G H2' . 17504 1 224 . 1 1 15 15 G H3' H 1 4.385 . . 1 . . . A 15 G H3' . 17504 1 225 . 1 1 15 15 G H4' H 1 4.367 . . 1 . . . A 15 G H4' . 17504 1 226 . 1 1 15 15 G H5' H 1 4.365 . . . . . . A 15 G H5' . 17504 1 227 . 1 1 15 15 G H5'' H 1 4.048 . . . . . . A 15 G H5'' . 17504 1 228 . 1 1 15 15 G H8 H 1 7.584 . . 1 . . . A 15 G H8 . 17504 1 229 . 1 1 16 16 G H1 H 1 11.093 . . 1 . . . A 16 G H1 . 17504 1 230 . 1 1 16 16 G H1' H 1 5.855 . . 1 . . . A 16 G H1' . 17504 1 231 . 1 1 16 16 G H2' H 1 4.34 . . 1 . . . A 16 G H2' . 17504 1 232 . 1 1 16 16 G H3' H 1 5.013 . . 1 . . . A 16 G H3' . 17504 1 233 . 1 1 16 16 G H4' H 1 4.533 . . 1 . . . A 16 G H4' . 17504 1 234 . 1 1 16 16 G H5' H 1 4.389 . . . . . . A 16 G H5' . 17504 1 235 . 1 1 16 16 G H5'' H 1 4.05 . . . . . . A 16 G H5'' . 17504 1 236 . 1 1 16 16 G H8 H 1 7.22 . . 1 . . . A 16 G H8 . 17504 1 237 . 1 1 16 16 G H21 H 1 9.167 . . . . . . A 16 G H21 . 17504 1 238 . 1 1 16 16 G H22 H 1 6.484 . . . . . . A 16 G H22 . 17504 1 239 . 1 1 17 17 A H1' H 1 5.876 . . 1 . . . A 17 A H1' . 17504 1 240 . 1 1 17 17 A H2 H 1 7.607 . . 1 . . . A 17 A H2 . 17504 1 241 . 1 1 17 17 A H2' H 1 5.182 . . 1 . . . A 17 A H2' . 17504 1 242 . 1 1 17 17 A H3' H 1 4.818 . . 1 . . . A 17 A H3' . 17504 1 243 . 1 1 17 17 A H4' H 1 5.09 . . 1 . . . A 17 A H4' . 17504 1 244 . 1 1 17 17 A H5' H 1 4.764 . . . . . . A 17 A H5' . 17504 1 245 . 1 1 17 17 A H5'' H 1 4.106 . . . . . . A 17 A H5'' . 17504 1 246 . 1 1 17 17 A H8 H 1 8.523 . . 1 . . . A 17 A H8 . 17504 1 247 . 1 1 18 18 G H1 H 1 10.587 . . 1 . . . A 18 G H1 . 17504 1 248 . 1 1 18 18 G H1' H 1 5.73 . . 1 . . . A 18 G H1' . 17504 1 249 . 1 1 18 18 G H2' H 1 4.62 . . 1 . . . A 18 G H2' . 17504 1 250 . 1 1 18 18 G H3' H 1 4.413 . . 1 . . . A 18 G H3' . 17504 1 251 . 1 1 18 18 G H4' H 1 4.609 . . 1 . . . A 18 G H4' . 17504 1 252 . 1 1 18 18 G H5' H 1 4.471 . . . . . . A 18 G H5' . 17504 1 253 . 1 1 18 18 G H5'' H 1 4.044 . . . . . . A 18 G H5'' . 17504 1 254 . 1 1 18 18 G H8 H 1 7.265 . . 1 . . . A 18 G H8 . 17504 1 255 . 1 1 18 18 G H21 H 1 7.888 . . . . . . A 18 G H21 . 17504 1 256 . 1 1 18 18 G H22 H 1 4.872 . . . . . . A 18 G H22 . 17504 1 257 . 1 1 19 19 U H1' H 1 6.161 . . 1 . . . A 19 U H1' . 17504 1 258 . 1 1 19 19 U H2' H 1 4.526 . . 1 . . . A 19 U H2' . 17504 1 259 . 1 1 19 19 U H3' H 1 4.878 . . 1 . . . A 19 U H3' . 17504 1 260 . 1 1 19 19 U H4' H 1 4.509 . . 1 . . . A 19 U H4' . 17504 1 261 . 1 1 19 19 U H5 H 1 5.998 . . 1 . . . A 19 U H5 . 17504 1 262 . 1 1 19 19 U H5' H 1 4.566 . . . . . . A 19 U H5' . 17504 1 263 . 1 1 19 19 U H5'' H 1 4.299 . . . . . . A 19 U H5'' . 17504 1 264 . 1 1 19 19 U H6 H 1 7.988 . . 1 . . . A 19 U H6 . 17504 1 265 . 1 1 20 20 G H1 H 1 11.538 . . 1 . . . A 20 G H1 . 17504 1 266 . 1 1 20 20 G H1' H 1 5.681 . . 1 . . . A 20 G H1' . 17504 1 267 . 1 1 20 20 G H2' H 1 4.778 . . 1 . . . A 20 G H2' . 17504 1 268 . 1 1 20 20 G H3' H 1 4.707 . . 1 . . . A 20 G H3' . 17504 1 269 . 1 1 20 20 G H4' H 1 4.4 . . 1 . . . A 20 G H4' . 17504 1 270 . 1 1 20 20 G H5' H 1 4.211 . . . . . . A 20 G H5' . 17504 1 271 . 1 1 20 20 G H5'' H 1 4.087 . . . . . . A 20 G H5'' . 17504 1 272 . 1 1 20 20 G H8 H 1 7.926 . . 1 . . . A 20 G H8 . 17504 1 273 . 1 1 21 21 G H1 H 1 11.496 . . 1 . . . A 21 G H1 . 17504 1 274 . 1 1 21 21 G H1' H 1 6.048 . . 1 . . . A 21 G H1' . 17504 1 275 . 1 1 21 21 G H2' H 1 4.79 . . 1 . . . A 21 G H2' . 17504 1 276 . 1 1 21 21 G H3' H 1 4.86 . . 1 . . . A 21 G H3' . 17504 1 277 . 1 1 21 21 G H4' H 1 4.563 . . 1 . . . A 21 G H4' . 17504 1 278 . 1 1 21 21 G H5' H 1 4.321 . . . . . . A 21 G H5' . 17504 1 279 . 1 1 21 21 G H5'' H 1 4.201 . . . . . . A 21 G H5'' . 17504 1 280 . 1 1 21 21 G H8 H 1 7.789 . . 1 . . . A 21 G H8 . 17504 1 281 . 1 1 22 22 C H1' H 1 6.058 . . 1 . . . A 22 C H1' . 17504 1 282 . 1 1 22 22 C H2' H 1 4.37 . . 1 . . . A 22 C H2' . 17504 1 283 . 1 1 22 22 C H3' H 1 4.721 . . 1 . . . A 22 C H3' . 17504 1 284 . 1 1 22 22 C H4' H 1 4.569 . . 1 . . . A 22 C H4' . 17504 1 285 . 1 1 22 22 C H5 H 1 6.128 . . 1 . . . A 22 C H5 . 17504 1 286 . 1 1 22 22 C H5' H 1 4.437 . . . . . . A 22 C H5' . 17504 1 287 . 1 1 22 22 C H5'' H 1 4.264 . . . . . . A 22 C H5'' . 17504 1 288 . 1 1 22 22 C H6 H 1 7.962 . . 1 . . . A 22 C H6 . 17504 1 289 . 1 1 23 23 U H1' H 1 5.731 . . 1 . . . A 23 U H1' . 17504 1 290 . 1 1 23 23 U H2' H 1 4.34 . . 1 . . . A 23 U H2' . 17504 1 291 . 1 1 23 23 U H3' H 1 4.582 . . 1 . . . A 23 U H3' . 17504 1 292 . 1 1 23 23 U H4' H 1 4.434 . . 1 . . . A 23 U H4' . 17504 1 293 . 1 1 23 23 U H5 H 1 5.697 . . 1 . . . A 23 U H5 . 17504 1 294 . 1 1 23 23 U H5' H 1 4.216 . . . . . . A 23 U H5' . 17504 1 295 . 1 1 23 23 U H5'' H 1 4.216 . . . . . . A 23 U H5'' . 17504 1 296 . 1 1 23 23 U H6 H 1 7.734 . . 1 . . . A 23 U H6 . 17504 1 297 . 1 1 24 24 G H1 H 1 11.922 . . 1 . . . A 24 G H1 . 17504 1 298 . 1 1 24 24 G H1' H 1 5.626 . . 1 . . . A 24 G H1' . 17504 1 299 . 1 1 24 24 G H2' H 1 4.504 . . 1 . . . A 24 G H2' . 17504 1 300 . 1 1 24 24 G H3' H 1 4.375 . . 1 . . . A 24 G H3' . 17504 1 301 . 1 1 24 24 G H4' H 1 4.382 . . 1 . . . A 24 G H4' . 17504 1 302 . 1 1 24 24 G H5' H 1 4.274 . . . . . . A 24 G H5' . 17504 1 303 . 1 1 24 24 G H5'' H 1 4.138 . . . . . . A 24 G H5'' . 17504 1 304 . 1 1 24 24 G H8 H 1 7.928 . . 1 . . . A 24 G H8 . 17504 1 305 . 1 1 25 25 G H1 H 1 11.446 . . 1 . . . A 25 G H1 . 17504 1 306 . 1 1 25 25 G H1' H 1 6.15 . . 1 . . . A 25 G H1' . 17504 1 307 . 1 1 25 25 G H2' H 1 4.054 . . 1 . . . A 25 G H2' . 17504 1 308 . 1 1 25 25 G H3' H 1 4.363 . . 1 . . . A 25 G H3' . 17504 1 309 . 1 1 25 25 G H4' H 1 4.401 . . 1 . . . A 25 G H4' . 17504 1 310 . 1 1 25 25 G H5' H 1 4.466 . . . . . . A 25 G H5' . 17504 1 311 . 1 1 25 25 G H5'' H 1 4.412 . . . . . . A 25 G H5'' . 17504 1 312 . 1 1 25 25 G H8 H 1 6.963 . . 1 . . . A 25 G H8 . 17504 1 313 . 1 1 25 25 G H21 H 1 8.443 . . . . . . A 25 G H21 . 17504 1 314 . 1 1 25 25 G H22 H 1 7.128 . . . . . . A 25 G H22 . 17504 1 315 . 1 1 26 26 G H1 H 1 11.762 . . 1 . . . A 26 G H1 . 17504 1 316 . 1 1 26 26 G H1' H 1 5.717 . . 1 . . . A 26 G H1' . 17504 1 317 . 1 1 26 26 G H2' H 1 4.303 . . 1 . . . A 26 G H2' . 17504 1 318 . 1 1 26 26 G H3' H 1 4.935 . . 1 . . . A 26 G H3' . 17504 1 319 . 1 1 26 26 G H4' H 1 4.671 . . 1 . . . A 26 G H4' . 17504 1 320 . 1 1 26 26 G H5' H 1 4.241 . . . . . . A 26 G H5' . 17504 1 321 . 1 1 26 26 G H5'' H 1 4.206 . . . . . . A 26 G H5'' . 17504 1 322 . 1 1 26 26 G H8 H 1 7.959 . . 1 . . . A 26 G H8 . 17504 1 323 . 1 1 26 26 G H21 H 1 9.122 . . . . . . A 26 G H21 . 17504 1 324 . 1 1 26 26 G H22 H 1 5.921 . . . . . . A 26 G H22 . 17504 1 325 . 1 1 27 27 U H1' H 1 5.824 . . 1 . . . A 27 U H1' . 17504 1 326 . 1 1 27 27 U H2' H 1 4.414 . . 1 . . . A 27 U H2' . 17504 1 327 . 1 1 27 27 U H3' H 1 4.773 . . 1 . . . A 27 U H3' . 17504 1 328 . 1 1 27 27 U H4' H 1 4.582 . . 1 . . . A 27 U H4' . 17504 1 329 . 1 1 27 27 U H5 H 1 5.866 . . 1 . . . A 27 U H5 . 17504 1 330 . 1 1 27 27 U H5' H 1 4.468 . . . . . . A 27 U H5' . 17504 1 331 . 1 1 27 27 U H5'' H 1 4.437 . . . . . . A 27 U H5'' . 17504 1 332 . 1 1 27 27 U H6 H 1 7.831 . . 1 . . . A 27 U H6 . 17504 1 333 . 1 1 28 28 U H1' H 1 5.633 . . 1 . . . A 28 U H1' . 17504 1 334 . 1 1 28 28 U H2' H 1 4.017 . . 1 . . . A 28 U H2' . 17504 1 335 . 1 1 28 28 U H3 H 1 10.964 . . 1 . . . A 28 U H3 . 17504 1 336 . 1 1 28 28 U H3' H 1 4.641 . . 1 . . . A 28 U H3' . 17504 1 337 . 1 1 28 28 U H4' H 1 3.996 . . 1 . . . A 28 U H4' . 17504 1 338 . 1 1 28 28 U H5 H 1 5.866 . . 1 . . . A 28 U H5 . 17504 1 339 . 1 1 28 28 U H5' H 1 4.554 . . . . . . A 28 U H5' . 17504 1 340 . 1 1 28 28 U H5'' H 1 4.373 . . . . . . A 28 U H5'' . 17504 1 341 . 1 1 28 28 U H6 H 1 7.805 . . 1 . . . A 28 U H6 . 17504 1 342 . 1 1 29 29 G H1 H 1 10.519 . . 1 . . . A 29 G H1 . 17504 1 343 . 1 1 29 29 G H1' H 1 5.81 . . 1 . . . A 29 G H1' . 17504 1 344 . 1 1 29 29 G H2' H 1 5.186 . . 1 . . . A 29 G H2' . 17504 1 345 . 1 1 29 29 G H3' H 1 4.365 . . 1 . . . A 29 G H3' . 17504 1 346 . 1 1 29 29 G H4' H 1 4.323 . . 1 . . . A 29 G H4' . 17504 1 347 . 1 1 29 29 G H5' H 1 4.139 . . . . . . A 29 G H5' . 17504 1 348 . 1 1 29 29 G H5'' H 1 3.856 . . . . . . A 29 G H5'' . 17504 1 349 . 1 1 29 29 G H8 H 1 7.38 . . 1 . . . A 29 G H8 . 17504 1 350 . 1 1 29 29 G H21 H 1 6.41 . . . . . . A 29 G H21 . 17504 1 351 . 1 1 30 30 C H1' H 1 5.305 . . 1 . . . A 30 C H1' . 17504 1 352 . 1 1 30 30 C H2' H 1 4.455 . . 1 . . . A 30 C H2' . 17504 1 353 . 1 1 30 30 C H3' H 1 4.384 . . 1 . . . A 30 C H3' . 17504 1 354 . 1 1 30 30 C H4' H 1 4.42 . . 1 . . . A 30 C H4' . 17504 1 355 . 1 1 30 30 C H5 H 1 4.38 . . 1 . . . A 30 C H5 . 17504 1 356 . 1 1 30 30 C H5' H 1 4.329 . . . . . . A 30 C H5' . 17504 1 357 . 1 1 30 30 C H5'' H 1 4.088 . . . . . . A 30 C H5'' . 17504 1 358 . 1 1 30 30 C H6 H 1 6.928 . . 1 . . . A 30 C H6 . 17504 1 359 . 1 1 30 30 C H41 H 1 8.076 . . . . . . A 30 C H41 . 17504 1 360 . 1 1 30 30 C H42 H 1 8.594 . . . . . . A 30 C H42 . 17504 1 361 . 1 1 31 31 G H1 H 1 12.671 . . 1 . . . A 31 G H1 . 17504 1 362 . 1 1 31 31 G H1' H 1 5.632 . . 1 . . . A 31 G H1' . 17504 1 363 . 1 1 31 31 G H2' H 1 4.492 . . 1 . . . A 31 G H2' . 17504 1 364 . 1 1 31 31 G H3' H 1 4.619 . . 1 . . . A 31 G H3' . 17504 1 365 . 1 1 31 31 G H4' H 1 4.375 . . 1 . . . A 31 G H4' . 17504 1 366 . 1 1 31 31 G H5' H 1 4.588 . . . . . . A 31 G H5' . 17504 1 367 . 1 1 31 31 G H5'' H 1 3.979 . . . . . . A 31 G H5'' . 17504 1 368 . 1 1 31 31 G H8 H 1 7.712 . . 1 . . . A 31 G H8 . 17504 1 369 . 1 1 32 32 C H1' H 1 5.374 . . 1 . . . A 32 C H1' . 17504 1 370 . 1 1 32 32 C H2' H 1 4.536 . . 1 . . . A 32 C H2' . 17504 1 371 . 1 1 32 32 C H3' H 1 4.466 . . 1 . . . A 32 C H3' . 17504 1 372 . 1 1 32 32 C H4' H 1 4.36 . . 1 . . . A 32 C H4' . 17504 1 373 . 1 1 32 32 C H5 H 1 5.145 . . 1 . . . A 32 C H5 . 17504 1 374 . 1 1 32 32 C H5' H 1 4.573 . . . . . . A 32 C H5' . 17504 1 375 . 1 1 32 32 C H5'' H 1 4.007 . . . . . . A 32 C H5'' . 17504 1 376 . 1 1 32 32 C H6 H 1 7.65 . . 1 . . . A 32 C H6 . 17504 1 377 . 1 1 32 32 C H41 H 1 6.962 . . . . . . A 32 C H41 . 17504 1 378 . 1 1 32 32 C H42 H 1 8.367 . . . . . . A 32 C H42 . 17504 1 379 . 1 1 33 33 A H1' H 1 6.385 . . 1 . . . A 33 A H1' . 17504 1 380 . 1 1 33 33 A H2' H 1 5.781 . . 1 . . . A 33 A H2' . 17504 1 381 . 1 1 33 33 A H3' H 1 4.392 . . 1 . . . A 33 A H3' . 17504 1 382 . 1 1 33 33 A H4' H 1 4.551 . . 1 . . . A 33 A H4' . 17504 1 383 . 1 1 33 33 A H5' H 1 4.398 . . . . . . A 33 A H5' . 17504 1 384 . 1 1 33 33 A H5'' H 1 4.439 . . . . . . A 33 A H5'' . 17504 1 385 . 1 1 33 33 A H8 H 1 7.726 . . 1 . . . A 33 A H8 . 17504 1 386 . 1 1 34 34 G H1 H 1 13.19 . . 1 . . . A 34 G H1 . 17504 1 387 . 1 1 34 34 G H1' H 1 5.602 . . 1 . . . A 34 G H1' . 17504 1 388 . 1 1 34 34 G H2' H 1 4.241 . . 1 . . . A 34 G H2' . 17504 1 389 . 1 1 34 34 G H3' H 1 4.395 . . 1 . . . A 34 G H3' . 17504 1 390 . 1 1 34 34 G H4' H 1 4.328 . . 1 . . . A 34 G H4' . 17504 1 391 . 1 1 34 34 G H5' H 1 4.464 . . . . . . A 34 G H5' . 17504 1 392 . 1 1 34 34 G H5'' H 1 3.997 . . . . . . A 34 G H5'' . 17504 1 393 . 1 1 34 34 G H8 H 1 7.164 . . 1 . . . A 34 G H8 . 17504 1 394 . 1 1 35 35 C H1' H 1 5.562 . . 1 . . . A 35 C H1' . 17504 1 395 . 1 1 35 35 C H2' H 1 4.025 . . 1 . . . A 35 C H2' . 17504 1 396 . 1 1 35 35 C H3' H 1 4.304 . . 1 . . . A 35 C H3' . 17504 1 397 . 1 1 35 35 C H4' H 1 4.236 . . 1 . . . A 35 C H4' . 17504 1 398 . 1 1 35 35 C H5 H 1 4.852 . . 1 . . . A 35 C H5 . 17504 1 399 . 1 1 35 35 C H5' H 1 4.41 . . . . . . A 35 C H5' . 17504 1 400 . 1 1 35 35 C H5'' H 1 3.932 . . . . . . A 35 C H5'' . 17504 1 401 . 1 1 35 35 C H6 H 1 7.462 . . 1 . . . A 35 C H6 . 17504 1 402 . 1 1 35 35 C H41 H 1 6.399 . . . . . . A 35 C H41 . 17504 1 403 . 1 1 35 35 C H42 H 1 8.501 . . . . . . A 35 C H42 . 17504 1 404 . 1 1 36 36 G H1' H 1 5.907 . . 1 . . . A 36 G H1' . 17504 1 405 . 1 1 36 36 G H2' H 1 5.099 . . 1 . . . A 36 G H2' . 17504 1 406 . 1 1 36 36 G H3' H 1 5.016 . . 1 . . . A 36 G H3' . 17504 1 407 . 1 1 36 36 G H4' H 1 4.296 . . 1 . . . A 36 G H4' . 17504 1 408 . 1 1 36 36 G H5' H 1 4.209 . . . . . . A 36 G H5' . 17504 1 409 . 1 1 36 36 G H5'' H 1 4.088 . . . . . . A 36 G H5'' . 17504 1 410 . 1 1 36 36 G H8 H 1 7.59 . . 1 . . . A 36 G H8 . 17504 1 stop_ save_