data_17961 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17961 _Entry.Title ; S. cerevisiae U2/U6 snRNA complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-26 _Entry.Accession_date 2011-09-26 _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 _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 Jordan Burke . E. . 17961 2 Dipali Sashital . G. . 17961 3 Xiaobing Zuo . . . 17961 4 Yun-Xing Wang . . . 17961 5 Samuel Butcher . E. . 17961 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 17961 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 54 17961 '1H chemical shifts' 140 17961 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 . . 2012-04-04 2011-09-26 update BMRB 'update entry citation' 17961 1 . . 2012-02-12 2011-09-26 original author 'original release' 17961 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKR 'BMRB Entry Tracking System' 17961 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17961 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22328579 _Citation.Full_citation . _Citation.Title 'Structure of the yeast U2/U6 snRNA complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume 18 _Citation.Journal_issue 4 _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 673 _Citation.Page_last 683 _Citation.Year 2012 _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 Jordan Burke . E. . 17961 1 2 Dipali Sashital . G. . 17961 1 3 Xiaobing Zuo . . . 17961 1 4 Yun-Xing Wang . . . 17961 1 5 Samuel Butcher . E. . 17961 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17961 _Assembly.ID 1 _Assembly.Name U2U6111 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 U2U6111 1 $U2U6111 A . yes native no no . . . 17961 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U2U6111 _Entity.Sf_category entity _Entity.Sf_framecode U2U6111 _Entity.Entry_ID 17961 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name U2U6111 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCAAUACAGAGAUGAUCAG CAGUUCCCCUGCAUAAGGAU GAACCGUUUUACAAAGAGAU UUCUUCGGGAAUCUCUUUGC CUUUUGGCUUAGAUCAAGUG UAGUAUCUGUC ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Stabilizing GC pairs at positions 1:111 and 63:68; UUCG tetraloop linker at positions 65-67' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'pre-mRNA splicing' 17961 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 17961 1 2 . G . 17961 1 3 . C . 17961 1 4 . A . 17961 1 5 . A . 17961 1 6 . U . 17961 1 7 . A . 17961 1 8 . C . 17961 1 9 . A . 17961 1 10 . G . 17961 1 11 . A . 17961 1 12 . G . 17961 1 13 . A . 17961 1 14 . U . 17961 1 15 . G . 17961 1 16 . A . 17961 1 17 . U . 17961 1 18 . C . 17961 1 19 . A . 17961 1 20 . G . 17961 1 21 . C . 17961 1 22 . A . 17961 1 23 . G . 17961 1 24 . U . 17961 1 25 . U . 17961 1 26 . C . 17961 1 27 . C . 17961 1 28 . C . 17961 1 29 . C . 17961 1 30 . U . 17961 1 31 . G . 17961 1 32 . C . 17961 1 33 . A . 17961 1 34 . U . 17961 1 35 . A . 17961 1 36 . A . 17961 1 37 . G . 17961 1 38 . G . 17961 1 39 . A . 17961 1 40 . U . 17961 1 41 . G . 17961 1 42 . A . 17961 1 43 . A . 17961 1 44 . C . 17961 1 45 . C . 17961 1 46 . G . 17961 1 47 . U . 17961 1 48 . U . 17961 1 49 . U . 17961 1 50 . U . 17961 1 51 . A . 17961 1 52 . C . 17961 1 53 . A . 17961 1 54 . A . 17961 1 55 . A . 17961 1 56 . G . 17961 1 57 . A . 17961 1 58 . G . 17961 1 59 . A . 17961 1 60 . U . 17961 1 61 . U . 17961 1 62 . U . 17961 1 63 . C . 17961 1 64 . U . 17961 1 65 . U . 17961 1 66 . C . 17961 1 67 . G . 17961 1 68 . G . 17961 1 69 . G . 17961 1 70 . A . 17961 1 71 . A . 17961 1 72 . U . 17961 1 73 . C . 17961 1 74 . U . 17961 1 75 . C . 17961 1 76 . U . 17961 1 77 . U . 17961 1 78 . U . 17961 1 79 . G . 17961 1 80 . C . 17961 1 81 . C . 17961 1 82 . U . 17961 1 83 . U . 17961 1 84 . U . 17961 1 85 . U . 17961 1 86 . G . 17961 1 87 . G . 17961 1 88 . C . 17961 1 89 . U . 17961 1 90 . U . 17961 1 91 . A . 17961 1 92 . G . 17961 1 93 . A . 17961 1 94 . U . 17961 1 95 . C . 17961 1 96 . A . 17961 1 97 . A . 17961 1 98 . G . 17961 1 99 . U . 17961 1 100 . G . 17961 1 101 . U . 17961 1 102 . A . 17961 1 103 . G . 17961 1 104 . U . 17961 1 105 . A . 17961 1 106 . U . 17961 1 107 . C . 17961 1 108 . U . 17961 1 109 . G . 17961 1 110 . U . 17961 1 111 . C . 17961 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 17961 1 . G 2 2 17961 1 . C 3 3 17961 1 . A 4 4 17961 1 . A 5 5 17961 1 . U 6 6 17961 1 . A 7 7 17961 1 . C 8 8 17961 1 . A 9 9 17961 1 . G 10 10 17961 1 . A 11 11 17961 1 . G 12 12 17961 1 . A 13 13 17961 1 . U 14 14 17961 1 . G 15 15 17961 1 . A 16 16 17961 1 . U 17 17 17961 1 . C 18 18 17961 1 . A 19 19 17961 1 . G 20 20 17961 1 . C 21 21 17961 1 . A 22 22 17961 1 . G 23 23 17961 1 . U 24 24 17961 1 . U 25 25 17961 1 . C 26 26 17961 1 . C 27 27 17961 1 . C 28 28 17961 1 . C 29 29 17961 1 . U 30 30 17961 1 . G 31 31 17961 1 . C 32 32 17961 1 . A 33 33 17961 1 . U 34 34 17961 1 . A 35 35 17961 1 . A 36 36 17961 1 . G 37 37 17961 1 . G 38 38 17961 1 . A 39 39 17961 1 . U 40 40 17961 1 . G 41 41 17961 1 . A 42 42 17961 1 . A 43 43 17961 1 . C 44 44 17961 1 . C 45 45 17961 1 . G 46 46 17961 1 . U 47 47 17961 1 . U 48 48 17961 1 . U 49 49 17961 1 . U 50 50 17961 1 . A 51 51 17961 1 . C 52 52 17961 1 . A 53 53 17961 1 . A 54 54 17961 1 . A 55 55 17961 1 . G 56 56 17961 1 . A 57 57 17961 1 . G 58 58 17961 1 . A 59 59 17961 1 . U 60 60 17961 1 . U 61 61 17961 1 . U 62 62 17961 1 . C 63 63 17961 1 . U 64 64 17961 1 . U 65 65 17961 1 . C 66 66 17961 1 . G 67 67 17961 1 . G 68 68 17961 1 . G 69 69 17961 1 . A 70 70 17961 1 . A 71 71 17961 1 . U 72 72 17961 1 . C 73 73 17961 1 . U 74 74 17961 1 . C 75 75 17961 1 . U 76 76 17961 1 . U 77 77 17961 1 . U 78 78 17961 1 . G 79 79 17961 1 . C 80 80 17961 1 . C 81 81 17961 1 . U 82 82 17961 1 . U 83 83 17961 1 . U 84 84 17961 1 . U 85 85 17961 1 . G 86 86 17961 1 . G 87 87 17961 1 . C 88 88 17961 1 . U 89 89 17961 1 . U 90 90 17961 1 . A 91 91 17961 1 . G 92 92 17961 1 . A 93 93 17961 1 . U 94 94 17961 1 . C 95 95 17961 1 . A 96 96 17961 1 . A 97 97 17961 1 . G 98 98 17961 1 . U 99 99 17961 1 . G 100 100 17961 1 . U 101 101 17961 1 . A 102 102 17961 1 . G 103 103 17961 1 . U 104 104 17961 1 . A 105 105 17961 1 . U 106 106 17961 1 . C 107 107 17961 1 . U 108 108 17961 1 . G 109 109 17961 1 . U 110 110 17961 1 . C 111 111 17961 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17961 _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 $U2U6111 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17961 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 17961 _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 $U2U6111 . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pUC19 . . . . . . 17961 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17961 _Sample.ID 1 _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 U2U6111 'natural abundance' . . 1 $U2U6111 . . 0.6-0.8 . . mM . . . . 17961 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17961 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17961 _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 U2U6111 '[U-13C; U-15N]-Gua; [U-13C; U-15N]-Ura' . . 1 $U2U6111 . . 0.6-0.8 . . mM . . . . 17961 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17961 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17961 _Sample.ID 3 _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 U2U6111 '[U-13C; U-15N]-Gua; [U-13C; U-15N]-Ura' . . 1 $U2U6111 . . 0.3-0.5 . . mM . . . . 17961 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17961 3 3 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 17961 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17961 _Sample.ID 4 _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 U2U6111 'natural abundance' . . 1 $U2U6111 . . 0.6-0.8 . . mM . . . . 17961 4 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17961 4 3 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 17961 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17961 _Sample.ID 5 _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 U2U6111 '[U-13C; U-15N]-Gua; [U-13C; U-15N]-Ura' . . 1 $U2U6111 . . 0.3-0.5 . . mM . . . . 17961 5 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17961 5 3 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 17961 5 4 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/ml . . . . 17961 5 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 17961 _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' 20 . mM 17961 1 pH 7.0 . pH 17961 1 pressure 1 . atm 17961 1 temperature 283 . K 17961 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17961 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17961 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17961 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17961 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17961 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17961 2 stop_ save_ save_MC-SYM _Software.Sf_category software _Software.Sf_framecode MC-SYM _Software.Entry_ID 17961 _Software.ID 3 _Software.Name MC-SYM _Software.Version 4.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Parisien, Major' . . 17961 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17961 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17961 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17961 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17961 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Rotvieh _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Rotvieh _NMR_spectrometer.Entry_ID 17961 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_Telemark _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Telemark _NMR_spectrometer.Entry_ID 17961 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 17961 _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 Rotvieh Bruker Avance . 700 . . . 17961 1 2 Telemark Bruker Avance . 750 . . . 17961 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 17961 _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 . . . 2 $Telemark . . . . . . . . . . . . . . . . 17961 1 2 '2D 1H-15N HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Rotvieh . . . . . . . . . . . . . . . . 17961 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $Telemark . . . . . . . . . . . . . . . . 17961 1 4 '2D 1H-15N HMQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Rotvieh . . . . . . . . . . . . . . . . 17961 1 5 '2D 1H-15N TROSY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Rotvieh . . . . . . . . . . . . . . . . 17961 1 6 '2D 1H-15N TROSY-HMQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $Rotvieh . . . . . . . . . . . . . . . . 17961 1 7 '2D 1H-15N HMQC' no . . . . . . . . . . 5 $sample_5 anisotropic . . 1 $sample_conditions_1 . . . 1 $Rotvieh . . . . . . . . . . . . . . . . 17961 1 8 '2D 1H-15N TROSY-HMQC' no . . . . . . . . . . 5 $sample_5 anisotropic . . 1 $sample_conditions_1 . . . 1 $Rotvieh . . . . . . . . . . . . . . . . 17961 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 17961 _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 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17961 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17961 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 17961 _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' . . . 17961 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 G H1 H 1 11.559 . . 1 . . . . 2 G H1 . 17961 1 2 . 1 1 4 4 A H2 H 1 7.039 . . 1 . . . . 4 A H2 . 17961 1 3 . 1 1 5 5 A H2 H 1 6.853 . . 1 . . . . 5 A H2 . 17961 1 4 . 1 1 6 6 U H3 H 1 13.106 . . 1 . . . . 6 U H3 . 17961 1 5 . 1 1 7 7 A H2 H 1 7.102 . . 1 . . . . 7 A H2 . 17961 1 6 . 1 1 15 15 G H1 H 1 11.608 . . 1 . . . . 15 G H1 . 17961 1 7 . 1 1 16 16 A H2 H 1 7.699 . . 1 . . . . 16 A H2 . 17961 1 8 . 1 1 17 17 U H3 H 1 14.096 . . 1 . . . . 17 U H3 . 17961 1 9 . 1 1 23 23 G H1 H 1 13.286 . . 1 . . . . 23 G H1 . 17961 1 10 . 1 1 24 24 U H3 H 1 14.313 . . 1 . . . . 24 U H3 . 17961 1 11 . 1 1 25 25 U H3 H 1 13.672 . . 1 . . . . 25 U H3 . 17961 1 12 . 1 1 30 30 U H3 H 1 13.546 . . 1 . . . . 30 U H3 . 17961 1 13 . 1 1 37 37 G H1 H 1 12.71 . . 1 . . . . 37 G H1 . 17961 1 14 . 1 1 41 41 G H1 H 1 12.426 . . 1 . . . . 41 G H1 . 17961 1 15 . 1 1 42 42 A H2 H 1 7.137 . . 1 . . . . 42 A H2 . 17961 1 16 . 1 1 43 43 A H2 H 1 7.753 . . 1 . . . . 43 A H2 . 17961 1 17 . 1 1 55 55 A H2 H 1 7.296 . . 1 . . . . 55 A H2 . 17961 1 18 . 1 1 56 56 G H1 H 1 12.447 . . 1 . . . . 56 G H1 . 17961 1 19 . 1 1 57 57 A H2 H 1 7.407 . . 1 . . . . 57 A H2 . 17961 1 20 . 1 1 58 58 G H1 H 1 12.567 . . 1 . . . . 58 G H1 . 17961 1 21 . 1 1 59 59 A H2 H 1 7.766 . . 1 . . . . 59 A H2 . 17961 1 22 . 1 1 60 60 U H3 H 1 14.065 . . 1 . . . . 60 U H3 . 17961 1 23 . 1 1 61 61 U H3 H 1 13.633 . . 1 . . . . 61 U H3 . 17961 1 24 . 1 1 62 62 U H3 H 1 11.755 . . 1 . . . . 62 U H3 . 17961 1 25 . 1 1 67 67 G H1 H 1 9.828 . . 1 . . . . 67 G H1 . 17961 1 26 . 1 1 68 68 G H1 H 1 12.758 . . 1 . . . . 68 G H1 . 17961 1 27 . 1 1 69 69 G H1 H 1 10.405 . . 1 . . . . 69 G H1 . 17961 1 28 . 1 1 70 70 A H2 H 1 7.279 . . 1 . . . . 70 A H2 . 17961 1 29 . 1 1 71 71 A H2 H 1 7.772 . . 1 . . . . 71 A H2 . 17961 1 30 . 1 1 72 72 U H3 H 1 14.147 . . 1 . . . . 72 U H3 . 17961 1 31 . 1 1 74 74 U H3 H 1 13.961 . . 1 . . . . 74 U H3 . 17961 1 32 . 1 1 76 76 U H3 H 1 13.881 . . 1 . . . . 76 U H3 . 17961 1 33 . 1 1 92 92 G H1 H 1 11.935 . . 1 . . . . 92 G H1 . 17961 1 34 . 1 1 93 93 A H2 H 1 7.609 . . 1 . . . . 93 A H2 . 17961 1 35 . 1 1 99 99 U H3 H 1 14.107 . . 1 . . . . 99 U H3 . 17961 1 36 . 1 1 103 103 G H1 H 1 12.595 . . 1 . . . . 103 G H1 . 17961 1 37 . 1 1 104 104 U H3 H 1 13.389 . . 1 . . . . 104 U H3 . 17961 1 38 . 1 1 105 105 A H2 H 1 6.511 . . 1 . . . . 105 A H2 . 17961 1 39 . 1 1 106 106 U H3 H 1 13.192 . . 1 . . . . 106 U H3 . 17961 1 40 . 1 1 108 108 U H3 H 1 13.385 . . 1 . . . . 108 U H3 . 17961 1 41 . 1 1 109 109 G H1 H 1 12.482 . . 1 . . . . 109 G H1 . 17961 1 42 . 1 1 110 110 U H3 H 1 12.028 . . 1 . . . . 110 U H3 . 17961 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 17961 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N TROSY-HMQC' . . . 17961 2 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all 1H' . . . 17961 2 'TROSY offset' 'all 15N' . . . 17961 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 G H1 H 1 11.54 . . 1 . . . . 2 G H1 . 17961 2 2 . 1 1 2 2 G N1 N 15 146.188 . . 1 . . . . 2 G N1 . 17961 2 3 . 1 1 6 6 U H3 H 1 13.044 . . 1 . . . . 6 U H3 . 17961 2 4 . 1 1 6 6 U N3 N 15 163.001 . . 1 . . . . 6 U N3 . 17961 2 5 . 1 1 15 15 G H1 H 1 11.692 . . 1 . . . . 15 G H1 . 17961 2 6 . 1 1 15 15 G N1 N 15 146.368 . . 1 . . . . 15 G N1 . 17961 2 7 . 1 1 20 20 G H1 H 1 13.292 . . 1 . . . . 20 G H1 . 17961 2 8 . 1 1 20 20 G N1 N 15 149.357 . . 1 . . . . 20 G N1 . 17961 2 9 . 1 1 23 23 G H1 H 1 13.332 . . 1 . . . . 23 G H1 . 17961 2 10 . 1 1 23 23 G N1 N 15 149.138 . . 1 . . . . 23 G N1 . 17961 2 11 . 1 1 24 24 U H3 H 1 14.259 . . 1 . . . . 24 U H3 . 17961 2 12 . 1 1 24 24 U N3 N 15 163.102 . . 1 . . . . 24 U N3 . 17961 2 13 . 1 1 25 25 U H3 H 1 13.686 . . 1 . . . . 25 U H3 . 17961 2 14 . 1 1 25 25 U N3 N 15 163.325 . . 1 . . . . 25 U N3 . 17961 2 15 . 1 1 30 30 U H3 H 1 13.537 . . 1 . . . . 30 U H3 . 17961 2 16 . 1 1 30 30 U N3 N 15 162.722 . . 1 . . . . 30 U N3 . 17961 2 17 . 1 1 31 31 G H1 H 1 10.741 . . 1 . . . . 31 G H1 . 17961 2 18 . 1 1 31 31 G N1 N 15 146.76 . . 1 . . . . 31 G N1 . 17961 2 19 . 1 1 37 37 G H1 H 1 12.652 . . 1 . . . . 37 G H1 . 17961 2 20 . 1 1 37 37 G N1 N 15 147.68 . . 1 . . . . 37 G N1 . 17961 2 21 . 1 1 41 41 G H1 H 1 12.409 . . 1 . . . . 41 G H1 . 17961 2 22 . 1 1 41 41 G N1 N 15 147.54 . . 1 . . . . 41 G N1 . 17961 2 23 . 1 1 56 56 G N1 N 15 147.852 . . 1 . . . . 56 G N1 . 17961 2 24 . 1 1 58 58 G H1 H 1 12.517 . . 1 . . . . 58 G H1 . 17961 2 25 . 1 1 58 58 G N1 N 15 147.404 . . 1 . . . . 58 G N1 . 17961 2 26 . 1 1 60 60 U H3 H 1 14.103 . . 1 . . . . 60 U H3 . 17961 2 27 . 1 1 60 60 U N3 N 15 162.944 . . 1 . . . . 60 U N3 . 17961 2 28 . 1 1 61 61 U H3 H 1 13.623 . . 1 . . . . 61 U H3 . 17961 2 29 . 1 1 61 61 U N3 N 15 163.926 . . 1 . . . . 61 U N3 . 17961 2 30 . 1 1 62 62 U H3 H 1 11.754 . . 1 . . . . 62 U H3 . 17961 2 31 . 1 1 62 62 U N3 N 15 160.428 . . 1 . . . . 62 U N3 . 17961 2 32 . 1 1 64 64 U H3 H 1 12.234 . . 1 . . . . 64 U H3 . 17961 2 33 . 1 1 64 64 U N3 N 15 159.389 . . 1 . . . . 64 U N3 . 17961 2 34 . 1 1 67 67 G H1 H 1 9.802 . . 1 . . . . 67 G H1 . 17961 2 35 . 1 1 67 67 G N1 N 15 143.867 . . 1 . . . . 67 G N1 . 17961 2 36 . 1 1 68 68 G H1 H 1 12.793 . . 1 . . . . 68 G H1 . 17961 2 37 . 1 1 68 68 G N1 N 15 148.531 . . 1 . . . . 68 G N1 . 17961 2 38 . 1 1 69 69 G H1 H 1 10.417 . . 1 . . . . 69 G H1 . 17961 2 39 . 1 1 69 69 G N1 N 15 143.449 . . 1 . . . . 69 G N1 . 17961 2 40 . 1 1 72 72 U H3 H 1 14.107 . . 1 . . . . 72 U H3 . 17961 2 41 . 1 1 72 72 U N3 N 15 163.011 . . 1 . . . . 72 U N3 . 17961 2 42 . 1 1 74 74 U H3 H 1 13.923 . . 1 . . . . 74 U H3 . 17961 2 43 . 1 1 74 74 U N3 N 15 162.969 . . 1 . . . . 74 U N3 . 17961 2 44 . 1 1 76 76 U H3 H 1 13.863 . . 1 . . . . 76 U H3 . 17961 2 45 . 1 1 76 76 U N3 N 15 162.849 . . 1 . . . . 76 U N3 . 17961 2 46 . 1 1 87 87 G H1 H 1 13.425 . . 1 . . . . 87 G H1 . 17961 2 47 . 1 1 87 87 G N1 N 15 148.915 . . 1 . . . . 87 G N1 . 17961 2 48 . 1 1 103 103 G H1 H 1 12.555 . . 1 . . . . 103 G H1 . 17961 2 49 . 1 1 103 103 G N1 N 15 148.511 . . 1 . . . . 103 G N1 . 17961 2 50 . 1 1 104 104 U H3 H 1 13.366 . . 1 . . . . 104 U H3 . 17961 2 51 . 1 1 104 104 U N3 N 15 162.403 . . 1 . . . . 104 U N3 . 17961 2 52 . 1 1 106 106 U H3 H 1 13.175 . . 1 . . . . 106 U H3 . 17961 2 53 . 1 1 106 106 U N3 N 15 163.29 . . 1 . . . . 106 U N3 . 17961 2 54 . 1 1 108 108 U H3 H 1 13.345 . . 1 . . . . 108 U H3 . 17961 2 55 . 1 1 108 108 U N3 N 15 161.428 . . 1 . . . . 108 U N3 . 17961 2 56 . 1 1 110 110 U H3 H 1 11.931 . . 1 . . . . 110 U H3 . 17961 2 57 . 1 1 110 110 U N3 N 15 159.108 . . 1 . . . . 110 U N3 . 17961 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 17961 _Assigned_chem_shift_list.ID 3 _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 3 '2D 1H-1H NOESY' . . . 17961 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 G H1 H 1 11.594 0.042 . 1 . . . . 2 G H1 . 17961 3 2 . 1 1 4 4 A H2 H 1 7.1 0.061 . 1 . . . . 4 A H2 . 17961 3 3 . 1 1 5 5 A H2 H 1 6.924 0.071 . 1 . . . . 5 A H2 . 17961 3 4 . 1 1 6 6 U H3 H 1 13.433 0.232 . 1 . . . . 6 U H3 . 17961 3 5 . 1 1 7 7 A H2 H 1 7.389 0.286 . 1 . . . . 7 A H2 . 17961 3 6 . 1 1 15 15 G H1 H 1 11.711 0.103 . 1 . . . . 15 G H1 . 17961 3 7 . 1 1 16 16 A H2 H 1 7.699 0 . 1 . . . . 16 A H2 . 17961 3 8 . 1 1 17 17 U H3 H 1 14.105 0.018 . 1 . . . . 17 U H3 . 17961 3 9 . 1 1 23 23 G H1 H 1 13.356 0.049 . 1 . . . . 23 G H1 . 17961 3 10 . 1 1 24 24 U H3 H 1 14.375 0.063 . 1 . . . . 24 U H3 . 17961 3 11 . 1 1 25 25 U H3 H 1 13.75 0.078 . 1 . . . . 25 U H3 . 17961 3 12 . 1 1 30 30 U H3 H 1 13.783 0.167 . 1 . . . . 30 U H3 . 17961 3 13 . 1 1 36 36 A H2 H 1 7.717 0 . 1 . . . . 36 A H2 . 17961 3 14 . 1 1 37 37 G H1 H 1 12.794 0.061 . 1 . . . . 37 G H1 . 17961 3 15 . 1 1 38 38 G H1 H 1 12.562 0 . 1 . . . . 38 G H1 . 17961 3 16 . 1 1 41 41 G H1 H 1 12.49 0.064 . 1 . . . . 41 G H1 . 17961 3 17 . 1 1 42 42 A H2 H 1 7.189 0.052 . 1 . . . . 42 A H2 . 17961 3 18 . 1 1 43 43 A H2 H 1 7.793 0.039 . 1 . . . . 43 A H2 . 17961 3 19 . 1 1 55 55 A H2 H 1 7.296 0 . 1 . . . . 55 A H2 . 17961 3 20 . 1 1 56 56 G H1 H 1 12.521 0.074 . 1 . . . . 56 G H1 . 17961 3 21 . 1 1 57 57 A H2 H 1 7.456 0.049 . 1 . . . . 57 A H2 . 17961 3 22 . 1 1 58 58 G H1 H 1 12.629 0.063 . 1 . . . . 58 G H1 . 17961 3 23 . 1 1 59 59 A H2 H 1 7.819 0.052 . 1 . . . . 59 A H2 . 17961 3 24 . 1 1 60 60 U H3 H 1 14.115 0.051 . 1 . . . . 60 U H3 . 17961 3 25 . 1 1 61 61 U H3 H 1 13.706 0.073 . 1 . . . . 61 U H3 . 17961 3 26 . 1 1 62 62 U H3 H 1 11.82 0.065 . 1 . . . . 62 U H3 . 17961 3 27 . 1 1 67 67 G H1 H 1 9.874 0.046 . 1 . . . . 67 G H1 . 17961 3 28 . 1 1 68 68 G H1 H 1 12.831 0.073 . 1 . . . . 68 G H1 . 17961 3 29 . 1 1 69 69 G H1 H 1 10.455 0.05 . 1 . . . . 69 G H1 . 17961 3 30 . 1 1 70 70 A H2 H 1 7.322 0.043 . 1 . . . . 70 A H2 . 17961 3 31 . 1 1 71 71 A H2 H 1 7.818 0.046 . 1 . . . . 71 A H2 . 17961 3 32 . 1 1 72 72 U H3 H 1 14.192 0.046 . 1 . . . . 72 U H3 . 17961 3 33 . 1 1 74 74 U H3 H 1 14.029 0.068 . 1 . . . . 74 U H3 . 17961 3 34 . 1 1 76 76 U H3 H 1 13.925 0.065 . 1 . . . . 76 U H3 . 17961 3 35 . 1 1 87 87 G H1 H 1 12.425 0 . 1 . . . . 87 G H1 . 17961 3 36 . 1 1 92 92 G H1 H 1 11.935 0 . 1 . . . . 92 G H1 . 17961 3 37 . 1 1 93 93 A H2 H 1 7.678 0.07 . 1 . . . . 93 A H2 . 17961 3 38 . 1 1 94 94 U H3 H 1 14.121 0.021 . 1 . . . . 94 U H3 . 17961 3 39 . 1 1 103 103 G H1 H 1 12.666 0.07 . 1 . . . . 103 G H1 . 17961 3 40 . 1 1 104 104 U H3 H 1 13.477 0.097 . 1 . . . . 104 U H3 . 17961 3 41 . 1 1 105 105 A H2 H 1 6.834 0.323 . 1 . . . . 105 A H2 . 17961 3 42 . 1 1 106 106 U H3 H 1 13.243 0.044 . 1 . . . . 106 U H3 . 17961 3 43 . 1 1 108 108 U H3 H 1 13.443 0.061 . 1 . . . . 108 U H3 . 17961 3 44 . 1 1 109 109 G H1 H 1 12.537 0.06 . 1 . . . . 109 G H1 . 17961 3 45 . 1 1 110 110 U H3 H 1 12.046 0.02 . 1 . . . . 110 U H3 . 17961 3 stop_ save_ save_assigned_chem_shift_list_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_4 _Assigned_chem_shift_list.Entry_ID 17961 _Assigned_chem_shift_list.ID 4 _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 6 '2D 1H-15N TROSY-HMQC' . . . 17961 4 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all 1H' . . . 17961 4 'TROSY offset' 'all 15N' . . . 17961 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 G H1 H 1 11.564 . . 1 . . . . 2 G H1 . 17961 4 2 . 1 1 2 2 G N1 N 15 145.956 . . 1 . . . . 2 G N1 . 17961 4 3 . 1 1 6 6 U H3 H 1 13.19 . . 1 . . . . 6 U H3 . 17961 4 4 . 1 1 6 6 U N3 N 15 161.622 . . 1 . . . . 6 U N3 . 17961 4 5 . 1 1 15 15 G H1 H 1 11.681 . . 1 . . . . 15 G H1 . 17961 4 6 . 1 1 15 15 G N1 N 15 146.629 . . 1 . . . . 15 G N1 . 17961 4 7 . 1 1 23 23 G H1 H 1 13.426 . . 1 . . . . 23 G H1 . 17961 4 8 . 1 1 23 23 G N1 N 15 148.956 . . 1 . . . . 23 G N1 . 17961 4 9 . 1 1 24 24 U H3 H 1 14.373 . . 1 . . . . 24 U H3 . 17961 4 10 . 1 1 24 24 U N3 N 15 163.121 . . 1 . . . . 24 U N3 . 17961 4 11 . 1 1 25 25 U H3 H 1 13.73 . . 1 . . . . 25 U H3 . 17961 4 12 . 1 1 25 25 U N3 N 15 163.069 . . 1 . . . . 25 U N3 . 17961 4 13 . 1 1 30 30 U H3 H 1 13.884 . . 1 . . . . 30 U H3 . 17961 4 14 . 1 1 30 30 U N3 N 15 162.771 . . 1 . . . . 30 U N3 . 17961 4 15 . 1 1 37 37 G H1 H 1 12.791 . . 1 . . . . 37 G H1 . 17961 4 16 . 1 1 37 37 G N1 N 15 147.557 . . 1 . . . . 37 G N1 . 17961 4 17 . 1 1 41 41 G H1 H 1 12.457 . . 1 . . . . 41 G H1 . 17961 4 18 . 1 1 41 41 G N1 N 15 147.775 . . 1 . . . . 41 G N1 . 17961 4 19 . 1 1 56 56 G H1 H 1 12.514 . . 1 . . . . 56 G H1 . 17961 4 20 . 1 1 56 56 G N1 N 15 147.258 . . 1 . . . . 56 G N1 . 17961 4 21 . 1 1 58 58 G H1 H 1 12.598 . . 1 . . . . 58 G H1 . 17961 4 22 . 1 1 58 58 G N1 N 15 147.29 . . 1 . . . . 58 G N1 . 17961 4 23 . 1 1 60 60 U H3 H 1 14.105 . . 1 . . . . 60 U H3 . 17961 4 24 . 1 1 60 60 U N3 N 15 163.026 . . 1 . . . . 60 U N3 . 17961 4 25 . 1 1 61 61 U H3 H 1 13.684 . . 1 . . . . 61 U H3 . 17961 4 26 . 1 1 61 61 U N3 N 15 162.671 . . 1 . . . . 61 U N3 . 17961 4 27 . 1 1 62 62 U H3 H 1 11.784 . . 1 . . . . 62 U H3 . 17961 4 28 . 1 1 62 62 U N3 N 15 160.541 . . 1 . . . . 62 U N3 . 17961 4 29 . 1 1 64 64 U H3 H 1 12.144 . . 1 . . . . 64 U H3 . 17961 4 30 . 1 1 64 64 U N3 N 15 159.29 . . 1 . . . . 64 U N3 . 17961 4 31 . 1 1 67 67 G H1 H 1 9.821 . . 1 . . . . 67 G H1 . 17961 4 32 . 1 1 67 67 G N1 N 15 143.939 . . 1 . . . . 67 G N1 . 17961 4 33 . 1 1 68 68 G H1 H 1 12.854 . . 1 . . . . 68 G H1 . 17961 4 34 . 1 1 68 68 G N1 N 15 148.552 . . 1 . . . . 68 G N1 . 17961 4 35 . 1 1 69 69 G H1 H 1 10.419 . . 1 . . . . 69 G H1 . 17961 4 36 . 1 1 69 69 G N1 N 15 143.456 . . 1 . . . . 69 G N1 . 17961 4 37 . 1 1 72 72 U H3 H 1 14.153 . . 1 . . . . 72 U H3 . 17961 4 38 . 1 1 72 72 U N3 N 15 163.109 . . 1 . . . . 72 U N3 . 17961 4 39 . 1 1 74 74 U H3 H 1 14.055 . . 1 . . . . 74 U H3 . 17961 4 40 . 1 1 74 74 U N3 N 15 162.97 . . 1 . . . . 74 U N3 . 17961 4 41 . 1 1 76 76 U H3 H 1 14.015 . . 1 . . . . 76 U H3 . 17961 4 42 . 1 1 76 76 U N3 N 15 163.055 . . 1 . . . . 76 U N3 . 17961 4 43 . 1 1 103 103 G H1 H 1 12.698 . . 1 . . . . 103 G H1 . 17961 4 44 . 1 1 103 103 G N1 N 15 148.518 . . 1 . . . . 103 G N1 . 17961 4 45 . 1 1 106 106 U H3 H 1 13.205 . . 1 . . . . 106 U H3 . 17961 4 46 . 1 1 106 106 U N3 N 15 163.389 . . 1 . . . . 106 U N3 . 17961 4 47 . 1 1 108 108 U H3 H 1 13.383 . . 1 . . . . 108 U H3 . 17961 4 48 . 1 1 108 108 U N3 N 15 162.439 . . 1 . . . . 108 U N3 . 17961 4 49 . 1 1 110 110 U H3 H 1 11.896 . . 1 . . . . 110 U H3 . 17961 4 50 . 1 1 110 110 U N3 N 15 159.111 . . 1 . . . . 110 U N3 . 17961 4 stop_ save_