data_5919 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5919 _Entry.Title ; The solution structure of the loop E region of the 5S rRNA from spinach chloroplasts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-25 _Entry.Accession_date 2003-08-26 _Entry.Last_release_date 2003-10-16 _Entry.Original_release_date 2003-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pramodh Vallurupalli . . . 5919 2 Peter Moore . B. . 5919 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5919 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 110 5919 '15N chemical shifts' 20 5919 '1H chemical shifts' 253 5919 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-10-16 2003-08-25 original author . 5919 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1MNX 'BMRB Entry Tracking System' 5919 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5919 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12527295 _Citation.Full_citation . _Citation.Title ; The solution structure of the loop E region of the 5S rRNA from spinach chloroplasts ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 325 _Citation.Journal_issue . _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 843 _Citation.Page_last 856 _Citation.Year 2003 _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 Pramodh Vallurupalli . . . 5919 1 2 Peter Moore . B. . 5919 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '5 S rRNA' 5919 1 L25 5919 1 'loop E' 5919 1 NMR 5919 1 'Spinacia oleracia' 5919 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Loop_E_of_5S_rRNA_from_spinach_chloroplasts _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Loop_E_of_5S_rRNA_from_spinach_chloroplasts _Assembly.Entry_ID 5919 _Assembly.ID 1 _Assembly.Name 'Loop E of 5S rRNA from spinach chloroplasts' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5919 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Loop E of 5S rRNA from spinach chloroplasts' 1 $SPIN2 . . . native . . . . . 5919 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1MNX . . . . . . 5919 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Loop E of 5S rRNA from spinach chloroplasts' abbreviation 5919 1 'Loop E of 5S rRNA from spinach chloroplasts' system 5919 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SPIN2 _Entity.Sf_category entity _Entity.Sf_framecode SPIN2 _Entity.Entry_ID 5919 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Loop E of 5S rRNA from spinach chloroplasts' _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 ; GGGUGACGAUACUGUAGGCG AGAGCCUGCGGAAAAAUAGC CC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14468 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The sequence consists of the Helix IV/V arm of spinanch chlorolast 5S rRNA. The ends on either side have been modified to make a construct suitable for NMR. Numbered sequentially in the following way to keep numbering consistent with the E. Coli sequence 68-88a,88b-108. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Loop E of 5S rRNA from spinach chloroplasts' common 5919 1 SPIN2 abbreviation 5919 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 68 G . 5919 1 2 69 G . 5919 1 3 70 G . 5919 1 4 71 U . 5919 1 5 72 G . 5919 1 6 73 A . 5919 1 7 74 C . 5919 1 8 75 G . 5919 1 9 76 A . 5919 1 10 77 U . 5919 1 11 78 A . 5919 1 12 79 C . 5919 1 13 80 U . 5919 1 14 81 G . 5919 1 15 82 U . 5919 1 16 83 A . 5919 1 17 84 G . 5919 1 18 85 G . 5919 1 19 86 C . 5919 1 20 87 G . 5919 1 21 88a A . 5919 1 22 88b G . 5919 1 23 89 A . 5919 1 24 90 G . 5919 1 25 91 C . 5919 1 26 92 C . 5919 1 27 93 U . 5919 1 28 94 G . 5919 1 29 95 C . 5919 1 30 96 G . 5919 1 31 97 G . 5919 1 32 98 A . 5919 1 33 99 A . 5919 1 34 100 A . 5919 1 35 101 A . 5919 1 36 102 A . 5919 1 37 103 U . 5919 1 38 104 A . 5919 1 39 105 G . 5919 1 40 106 C . 5919 1 41 107 C . 5919 1 42 108 C . 5919 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 5919 1 . G 2 2 5919 1 . G 3 3 5919 1 . U 4 4 5919 1 . G 5 5 5919 1 . A 6 6 5919 1 . C 7 7 5919 1 . G 8 8 5919 1 . A 9 9 5919 1 . U 10 10 5919 1 . A 11 11 5919 1 . C 12 12 5919 1 . U 13 13 5919 1 . G 14 14 5919 1 . U 15 15 5919 1 . A 16 16 5919 1 . G 17 17 5919 1 . G 18 18 5919 1 . C 19 19 5919 1 . G 20 20 5919 1 . A 21 21 5919 1 . G 22 22 5919 1 . A 23 23 5919 1 . G 24 24 5919 1 . C 25 25 5919 1 . C 26 26 5919 1 . U 27 27 5919 1 . G 28 28 5919 1 . C 29 29 5919 1 . G 30 30 5919 1 . G 31 31 5919 1 . A 32 32 5919 1 . A 33 33 5919 1 . A 34 34 5919 1 . A 35 35 5919 1 . A 36 36 5919 1 . U 37 37 5919 1 . A 38 38 5919 1 . G 39 39 5919 1 . C 40 40 5919 1 . C 41 41 5919 1 . C 42 42 5919 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 5919 _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 $SPIN2 . 3562 . . 'Spinacia oleracea' Spinach . . Eukaryota Viridiplantae Spinacia oleracea . . . . . . . . . Chloroplast . . . . . . . . . . . 5919 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 5919 _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 $SPIN2 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . ; The RNA was invitro transcribed from a linearized template plasmid using T7 RNA polymerase. ; . . 5919 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5919 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Loop E of 5S rRNA from spinach chloroplasts' . . . 1 $SPIN2 . . 1.5 . . mM . . . . 5919 1 2 NaCl . . . . . . . 50 . . mM . . . . 5919 1 3 Cacodylate . . . . . . . 2.5 . . mM . . . . 5919 1 4 EDTA . . . . . . . 0.1 . . mM . . . . 5919 1 5 D2O . . . . . . . 10 . . % . . . . 5919 1 6 H2O . . . . . . . 90 . . % . . . . 5919 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5919 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Loop E of 5S rRNA from spinach chloroplasts' . . . 1 $SPIN2 . . 1.5 . . mM . . . . 5919 2 2 NaCl . . . . . . . 50 . . mM . . . . 5919 2 3 Cacodylate . . . . . . . 2.5 . . mM . . . . 5919 2 4 EDTA . . . . . . . 0.1 . . mM . . . . 5919 2 5 D2O . . . . . . . 100 . . % . . . . 5919 2 stop_ save_ save_Sample_3 _Sample.Sf_category sample _Sample.Sf_framecode Sample_3 _Sample.Entry_ID 5919 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Loop E of 5S rRNA from spinach chloroplasts' '[U->90% 13C; U->90% 15N]' . . 1 $SPIN2 . . 1.5 . . mM . . . . 5919 3 2 NaCl . . . . . . . 50 . . mM . . . . 5919 3 3 Cacodylate . . . . . . . 2.5 . . mM . . . . 5919 3 4 EDTA . . . . . . . 0.1 . . mM . . . . 5919 3 5 D2O . . . . . . . 10 . . % . . . . 5919 3 6 H2O . . . . . . . 90 . . % . . . . 5919 3 stop_ save_ save_Sample_4 _Sample.Sf_category sample _Sample.Sf_framecode Sample_4 _Sample.Entry_ID 5919 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Loop E of 5S rRNA from spinach chloroplasts' '[U->90% 13C; U->90% 15N]' . . 1 $SPIN2 . . 1.5 . . mM . . . . 5919 4 2 NaCl . . . . . . . 50 . . mM . . . . 5919 4 3 Cacodylate . . . . . . . 2.5 . . mM . . . . 5919 4 4 EDTA . . . . . . . 0.1 . . mM . . . . 5919 4 5 D2O . . . . . . . 100 . . % . . . . 5919 4 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 5919 _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 pH 6.5 . n/a 5919 1 temperature 298 . K 5919 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5919 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5919 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5919 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5919 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5919 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5919 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 500 . . . 5919 1 2 NMR_spectrometer_2 Varian UnityPlus . 500 . . . 5919 1 3 NMR_spectrometer_3 Varian INOVA . 500 . . . 5919 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 5919 _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 1H-15NHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 2 1H-13CHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 3 1H-13CNOESY-HMQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 4 'HCcH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 5 'Relay HCcH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 6 'Double Relay HCcH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 7 'IPAP HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 8 'IPAP HCcH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 9 'IPAP Relay HCcH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 10 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 11 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5919 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15NHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H-13CHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-13CNOESY-HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'HCcH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'Relay HCcH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'Double Relay HCcH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'IPAP HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'IPAP HCcH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'IPAP Relay HCcH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5919 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5919 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 external cylindrical parallel . . . . . . 5919 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . . 1.0 . . . . . . . . . 5919 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 external cylindrical parallel . . . . . . 5919 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts _Assigned_chem_shift_list.Entry_ID 5919 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Shifts for non exchangeble protons/carbons are at 25C while they are at 5C for exchangeble protons/nitrogens. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Sample_1 . 5919 1 . . 2 $Sample_2 . 5919 1 . . 3 $Sample_3 . 5919 1 . . 4 $Sample_4 . 5919 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H8 H 1 8.11 0.02 . . . . . . . . . . 5919 1 2 . 1 1 1 1 G H1' H 1 5.79 0.02 . . . . . . . . . . 5919 1 3 . 1 1 1 1 G H2' H 1 4.88 0.02 . . . . . . . . . . 5919 1 4 . 1 1 1 1 G H3' H 1 4.70 0.02 . . . . . . . . . . 5919 1 5 . 1 1 1 1 G H4' H 1 4.52 0.02 . . . . . . . . . . 5919 1 6 . 1 1 1 1 G H5' H 1 4.24 0.02 . . . . . . . . . . 5919 1 7 . 1 1 1 1 G H5'' H 1 4.42 0.02 . . . . . . . . . . 5919 1 8 . 1 1 1 1 G H1 H 1 12.6 0.02 . . . . . . . . . . 5919 1 9 . 1 1 1 1 G C1' C 13 91.4 0.1 . . . . . . . . . . 5919 1 10 . 1 1 1 1 G C8 C 13 139.4 0.1 . . . . . . . . . . 5919 1 11 . 1 1 1 1 G N1 N 15 148.4 0.1 . . . . . . . . . . 5919 1 12 . 1 1 2 2 G H8 H 1 7.54 0.02 . . . . . . . . . . 5919 1 13 . 1 1 2 2 G H1' H 1 5.90 0.02 . . . . . . . . . . 5919 1 14 . 1 1 2 2 G H2' H 1 4.63 0.02 . . . . . . . . . . 5919 1 15 . 1 1 2 2 G H3' H 1 4.54 0.02 . . . . . . . . . . 5919 1 16 . 1 1 2 2 G H4' H 1 4.50 0.02 . . . . . . . . . . 5919 1 17 . 1 1 2 2 G H1 H 1 12.78 0.02 . . . . . . . . . . 5919 1 18 . 1 1 2 2 G C1' C 13 92.4 0.1 . . . . . . . . . . 5919 1 19 . 1 1 2 2 G C8 C 13 137.0 0.1 . . . . . . . . . . 5919 1 20 . 1 1 2 2 G N1 N 15 148.3 0.1 . . . . . . . . . . 5919 1 21 . 1 1 3 3 G H8 H 1 7.13 0.02 . . . . . . . . . . 5919 1 22 . 1 1 3 3 G H1' H 1 5.75 0.02 . . . . . . . . . . 5919 1 23 . 1 1 3 3 G H2' H 1 4.57 0.02 . . . . . . . . . . 5919 1 24 . 1 1 3 3 G H3' H 1 4.31 0.02 . . . . . . . . . . 5919 1 25 . 1 1 3 3 G H4' H 1 4.43 0.02 . . . . . . . . . . 5919 1 26 . 1 1 3 3 G H1 H 1 13.26 0.02 . . . . . . . . . . 5919 1 27 . 1 1 3 3 G C1' C 13 92.5 0.1 . . . . . . . . . . 5919 1 28 . 1 1 3 3 G C8 C 13 135.9 0.1 . . . . . . . . . . 5919 1 29 . 1 1 3 3 G N1 N 15 149.4 0.1 . . . . . . . . . . 5919 1 30 . 1 1 4 4 U H6 H 1 7.33 0.02 . . . . . . . . . . 5919 1 31 . 1 1 4 4 U H5 H 1 5.25 0.02 . . . . . . . . . . 5919 1 32 . 1 1 4 4 U H1' H 1 5.36 0.02 . . . . . . . . . . 5919 1 33 . 1 1 4 4 U H2' H 1 4.58 0.02 . . . . . . . . . . 5919 1 34 . 1 1 4 4 U H3' H 1 4.32 0.02 . . . . . . . . . . 5919 1 35 . 1 1 4 4 U H4' H 1 4.35 0.02 . . . . . . . . . . 5919 1 36 . 1 1 4 4 U H5' H 1 4.03 0.02 . . . . . . . . . . 5919 1 37 . 1 1 4 4 U H5'' H 1 4.43 0.02 . . . . . . . . . . 5919 1 38 . 1 1 4 4 U H3 H 1 11.33 0.02 . . . . . . . . . . 5919 1 39 . 1 1 4 4 U C1' C 13 93.7 0.1 . . . . . . . . . . 5919 1 40 . 1 1 4 4 U C6 C 13 139.4 0.1 . . . . . . . . . . 5919 1 41 . 1 1 4 4 U N3 N 15 158.3 0.1 . . . . . . . . . . 5919 1 42 . 1 1 4 4 U C5 C 13 104.7 0.1 . . . . . . . . . . 5919 1 43 . 1 1 5 5 G H8 H 1 7.95 0.02 . . . . . . . . . . 5919 1 44 . 1 1 5 5 G H1' H 1 5.53 0.02 . . . . . . . . . . 5919 1 45 . 1 1 5 5 G H2' H 1 4.37 0.02 . . . . . . . . . . 5919 1 46 . 1 1 5 5 G H3' H 1 4.87 0.02 . . . . . . . . . . 5919 1 47 . 1 1 5 5 G H4' H 1 4.45 0.02 . . . . . . . . . . 5919 1 48 . 1 1 5 5 G H1 H 1 10.56 0.02 . . . . . . . . . . 5919 1 49 . 1 1 5 5 G C1' C 13 89.9 0.1 . . . . . . . . . . 5919 1 50 . 1 1 5 5 G C8 C 13 137.7 0.1 . . . . . . . . . . 5919 1 51 . 1 1 5 5 G N1 N 15 147.8 0.1 . . . . . . . . . . 5919 1 52 . 1 1 6 6 A H8 H 1 7.86 0.02 . . . . . . . . . . 5919 1 53 . 1 1 6 6 A H2 H 1 7.95 0.02 . . . . . . . . . . 5919 1 54 . 1 1 6 6 A H1' H 1 5.92 0.02 . . . . . . . . . . 5919 1 55 . 1 1 6 6 A H2' H 1 4.84 0.02 . . . . . . . . . . 5919 1 56 . 1 1 6 6 A H3' H 1 4.10 0.02 . . . . . . . . . . 5919 1 57 . 1 1 6 6 A C1' C 13 93.4 0.1 . . . . . . . . . . 5919 1 58 . 1 1 6 6 A C8 C 13 139.8 0.1 . . . . . . . . . . 5919 1 59 . 1 1 6 6 A C2 C 13 154.1 0.1 . . . . . . . . . . 5919 1 60 . 1 1 7 7 C H6 H 1 7.01 0.02 . . . . . . . . . . 5919 1 61 . 1 1 7 7 C H5 H 1 4.89 0.02 . . . . . . . . . . 5919 1 62 . 1 1 7 7 C H1' H 1 5.16 0.02 . . . . . . . . . . 5919 1 63 . 1 1 7 7 C H2' H 1 4.43 0.02 . . . . . . . . . . 5919 1 64 . 1 1 7 7 C H3' H 1 4.24 0.02 . . . . . . . . . . 5919 1 65 . 1 1 7 7 C H4' H 1 4.28 0.02 . . . . . . . . . . 5919 1 66 . 1 1 7 7 C C1' C 13 93.1 0.1 . . . . . . . . . . 5919 1 67 . 1 1 7 7 C C6 C 13 139.7 0.1 . . . . . . . . . . 5919 1 68 . 1 1 7 7 C C5 C 13 96.9 0.1 . . . . . . . . . . 5919 1 69 . 1 1 8 8 G H8 H 1 7.54 0.02 . . . . . . . . . . 5919 1 70 . 1 1 8 8 G H1' H 1 5.45 0.02 . . . . . . . . . . 5919 1 71 . 1 1 8 8 G H2' H 1 4.65 0.02 . . . . . . . . . . 5919 1 72 . 1 1 8 8 G H3' H 1 4.53 0.02 . . . . . . . . . . 5919 1 73 . 1 1 8 8 G H4' H 1 4.43 0.02 . . . . . . . . . . 5919 1 74 . 1 1 8 8 G C1' C 13 92.1 0.1 . . . . . . . . . . 5919 1 75 . 1 1 8 8 G C8 C 13 137.7 0.1 . . . . . . . . . . 5919 1 76 . 1 1 9 9 A H8 H 1 7.66 0.02 . . . . . . . . . . 5919 1 77 . 1 1 9 9 A H2 H 1 7.90 0.02 . . . . . . . . . . 5919 1 78 . 1 1 9 9 A H1' H 1 5.72 0.02 . . . . . . . . . . 5919 1 79 . 1 1 9 9 A H2' H 1 4.53 0.02 . . . . . . . . . . 5919 1 80 . 1 1 9 9 A H3' H 1 4.50 0.02 . . . . . . . . . . 5919 1 81 . 1 1 9 9 A H4' H 1 4.42 0.02 . . . . . . . . . . 5919 1 82 . 1 1 9 9 A C1' C 13 92.4 0.1 . . . . . . . . . . 5919 1 83 . 1 1 9 9 A C8 C 13 139.1 0.1 . . . . . . . . . . 5919 1 84 . 1 1 9 9 A C2 C 13 155.2 0.1 . . . . . . . . . . 5919 1 85 . 1 1 10 10 U H6 H 1 7.12 0.02 . . . . . . . . . . 5919 1 86 . 1 1 10 10 U H5 H 1 4.92 0.02 . . . . . . . . . . 5919 1 87 . 1 1 10 10 U H1' H 1 5.11 0.02 . . . . . . . . . . 5919 1 88 . 1 1 10 10 U H2' H 1 4.26 0.02 . . . . . . . . . . 5919 1 89 . 1 1 10 10 U H3' H 1 4.44 0.02 . . . . . . . . . . 5919 1 90 . 1 1 10 10 U H4' H 1 4.35 0.02 . . . . . . . . . . 5919 1 91 . 1 1 10 10 U H3 H 1 12.00 0.02 . . . . . . . . . . 5919 1 92 . 1 1 10 10 U C1' C 13 92.9 0.1 . . . . . . . . . . 5919 1 93 . 1 1 10 10 U C6 C 13 134.8 0.1 . . . . . . . . . . 5919 1 94 . 1 1 10 10 U N3 N 15 160.6 0.1 . . . . . . . . . . 5919 1 95 . 1 1 10 10 U C5 C 13 104.1 0.1 . . . . . . . . . . 5919 1 96 . 1 1 11 11 A H8 H 1 7.66 0.02 . . . . . . . . . . 5919 1 97 . 1 1 11 11 A H2 H 1 7.24 0.02 . . . . . . . . . . 5919 1 98 . 1 1 11 11 A H1' H 1 5.67 0.02 . . . . . . . . . . 5919 1 99 . 1 1 11 11 A H2' H 1 4.61 0.02 . . . . . . . . . . 5919 1 100 . 1 1 11 11 A H3' H 1 4.40 0.02 . . . . . . . . . . 5919 1 101 . 1 1 11 11 A C1' C 13 92.5 0.1 . . . . . . . . . . 5919 1 102 . 1 1 11 11 A C8 C 13 139.7 0.1 . . . . . . . . . . 5919 1 103 . 1 1 11 11 A C2 C 13 153.6 0.1 . . . . . . . . . . 5919 1 104 . 1 1 12 12 C H6 H 1 7.44 0.02 . . . . . . . . . . 5919 1 105 . 1 1 12 12 C H5 H 1 5.61 0.02 . . . . . . . . . . 5919 1 106 . 1 1 12 12 C H3' H 1 4.07 0.02 . . . . . . . . . . 5919 1 107 . 1 1 12 12 C H4' H 1 4.14 0.02 . . . . . . . . . . 5919 1 108 . 1 1 12 12 C C6 C 13 140.5 0.1 . . . . . . . . . . 5919 1 109 . 1 1 12 12 C C5 C 13 99.26 0.1 . . . . . . . . . . 5919 1 110 . 1 1 13 13 U H6 H 1 7.59 0.02 . . . . . . . . . . 5919 1 111 . 1 1 13 13 U H5 H 1 5.61 0.02 . . . . . . . . . . 5919 1 112 . 1 1 13 13 U H1' H 1 5.50 0.02 . . . . . . . . . . 5919 1 113 . 1 1 13 13 U H2' H 1 4.20 0.02 . . . . . . . . . . 5919 1 114 . 1 1 13 13 U H3' H 1 4.44 0.02 . . . . . . . . . . 5919 1 115 . 1 1 13 13 U H4' H 1 4.31 0.02 . . . . . . . . . . 5919 1 116 . 1 1 13 13 U H3 H 1 11.50 0.02 . . . . . . . . . . 5919 1 117 . 1 1 13 13 U C1' C 13 93.5 0.1 . . . . . . . . . . 5919 1 118 . 1 1 13 13 U C6 C 13 141.3 0.1 . . . . . . . . . . 5919 1 119 . 1 1 13 13 U N3 N 15 159.0 0.1 . . . . . . . . . . 5919 1 120 . 1 1 13 13 U C5 C 13 105.3 0.1 . . . . . . . . . . 5919 1 121 . 1 1 14 14 G H8 H 1 7.78 0.02 . . . . . . . . . . 5919 1 122 . 1 1 14 14 G H1' H 1 5.66 0.02 . . . . . . . . . . 5919 1 123 . 1 1 14 14 G H2' H 1 4.62 0.02 . . . . . . . . . . 5919 1 124 . 1 1 14 14 G H3' H 1 4.40 0.02 . . . . . . . . . . 5919 1 125 . 1 1 14 14 G H1 H 1 12.77 0.02 . . . . . . . . . . 5919 1 126 . 1 1 14 14 G C1' C 13 92.4 0.1 . . . . . . . . . . 5919 1 127 . 1 1 14 14 G C8 C 13 137.3 0.1 . . . . . . . . . . 5919 1 128 . 1 1 14 14 G N1 N 15 148.2 0.1 . . . . . . . . . . 5919 1 129 . 1 1 15 15 U H6 H 1 7.60 0.02 . . . . . . . . . . 5919 1 130 . 1 1 15 15 U H5 H 1 5.42 0.02 . . . . . . . . . . 5919 1 131 . 1 1 15 15 U H1' H 1 5.38 0.02 . . . . . . . . . . 5919 1 132 . 1 1 15 15 U H2' H 1 4.24 0.02 . . . . . . . . . . 5919 1 133 . 1 1 15 15 U H3' H 1 4.54 0.02 . . . . . . . . . . 5919 1 134 . 1 1 15 15 U H4' H 1 4.39 0.02 . . . . . . . . . . 5919 1 135 . 1 1 15 15 U H3 H 1 11.58 0.02 . . . . . . . . . . 5919 1 136 . 1 1 15 15 U C1' C 13 93.3 0.1 . . . . . . . . . . 5919 1 137 . 1 1 15 15 U C6 C 13 140.8 0.1 . . . . . . . . . . 5919 1 138 . 1 1 15 15 U N3 N 15 159.3 0.1 . . . . . . . . . . 5919 1 139 . 1 1 15 15 U C5 C 13 104.6 0.1 . . . . . . . . . . 5919 1 140 . 1 1 16 16 A H8 H 1 8.29 0.02 . . . . . . . . . . 5919 1 141 . 1 1 16 16 A H2 H 1 6.93 0.02 . . . . . . . . . . 5919 1 142 . 1 1 16 16 A H1' H 1 5.94 0.02 . . . . . . . . . . 5919 1 143 . 1 1 16 16 A H2' H 1 4.72 0.02 . . . . . . . . . . 5919 1 144 . 1 1 16 16 A H3' H 1 4.71 0.02 . . . . . . . . . . 5919 1 145 . 1 1 16 16 A H4' H 1 4.43 0.02 . . . . . . . . . . 5919 1 146 . 1 1 16 16 A C1' C 13 91.9 0.1 . . . . . . . . . . 5919 1 147 . 1 1 16 16 A C8 C 13 140.8 0.1 . . . . . . . . . . 5919 1 148 . 1 1 16 16 A C2 C 13 153.0 0.1 . . . . . . . . . . 5919 1 149 . 1 1 17 17 G H8 H 1 7.02 0.02 . . . . . . . . . . 5919 1 150 . 1 1 17 17 G H1' H 1 5.47 0.02 . . . . . . . . . . 5919 1 151 . 1 1 17 17 G H2' H 1 4.43 0.02 . . . . . . . . . . 5919 1 152 . 1 1 17 17 G H3' H 1 4.35 0.02 . . . . . . . . . . 5919 1 153 . 1 1 17 17 G H4' H 1 4.44 0.02 . . . . . . . . . . 5919 1 154 . 1 1 17 17 G H1 H 1 12.72 0.02 . . . . . . . . . . 5919 1 155 . 1 1 17 17 G C1' C 13 92.3 0.1 . . . . . . . . . . 5919 1 156 . 1 1 17 17 G C8 C 13 136.0 0.1 . . . . . . . . . . 5919 1 157 . 1 1 17 17 G N1 N 15 148.6 0.1 . . . . . . . . . . 5919 1 158 . 1 1 18 18 G H8 H 1 7.26 0.02 . . . . . . . . . . 5919 1 159 . 1 1 18 18 G H1' H 1 5.73 0.02 . . . . . . . . . . 5919 1 160 . 1 1 18 18 G H2' H 1 4.38 0.02 . . . . . . . . . . 5919 1 161 . 1 1 18 18 G H3' H 1 4.50 0.02 . . . . . . . . . . 5919 1 162 . 1 1 18 18 G H4' H 1 4.40 0.02 . . . . . . . . . . 5919 1 163 . 1 1 18 18 G H1 H 1 13.21 0.02 . . . . . . . . . . 5919 1 164 . 1 1 18 18 G C1' C 13 92.4 0.1 . . . . . . . . . . 5919 1 165 . 1 1 18 18 G C8 C 13 136.3 0.1 . . . . . . . . . . 5919 1 166 . 1 1 18 18 G N1 N 15 149.3 0.1 . . . . . . . . . . 5919 1 167 . 1 1 19 19 C H6 H 1 7.37 0.02 . . . . . . . . . . 5919 1 168 . 1 1 19 19 C H5 H 1 5.08 0.02 . . . . . . . . . . 5919 1 169 . 1 1 19 19 C H1' H 1 5.55 0.02 . . . . . . . . . . 5919 1 170 . 1 1 19 19 C H2' H 1 4.50 0.02 . . . . . . . . . . 5919 1 171 . 1 1 19 19 C H3' H 1 4.41 0.02 . . . . . . . . . . 5919 1 172 . 1 1 19 19 C H4' H 1 4.36 0.02 . . . . . . . . . . 5919 1 173 . 1 1 19 19 C C1' C 13 93.2 0.1 . . . . . . . . . . 5919 1 174 . 1 1 19 19 C C6 C 13 139.9 0.1 . . . . . . . . . . 5919 1 175 . 1 1 19 19 C C5 C 13 98.1 0.1 . . . . . . . . . . 5919 1 176 . 1 1 20 20 G H8 H 1 7.40 0.02 . . . . . . . . . . 5919 1 177 . 1 1 20 20 G H1' H 1 5.74 0.02 . . . . . . . . . . 5919 1 178 . 1 1 20 20 G H2' H 1 4.31 0.02 . . . . . . . . . . 5919 1 179 . 1 1 20 20 G H3' H 1 4.59 0.02 . . . . . . . . . . 5919 1 180 . 1 1 20 20 G H4' H 1 4.34 0.02 . . . . . . . . . . 5919 1 181 . 1 1 20 20 G H1 H 1 10.41 0.02 . . . . . . . . . . 5919 1 182 . 1 1 20 20 G C1' C 13 93.3 0.1 . . . . . . . . . . 5919 1 183 . 1 1 20 20 G C8 C 13 136.6 0.1 . . . . . . . . . . 5919 1 184 . 1 1 20 20 G N1 N 15 146.5 0.1 . . . . . . . . . . 5919 1 185 . 1 1 21 21 A H8 H 1 8.21 0.02 . . . . . . . . . . 5919 1 186 . 1 1 21 21 A H2 H 1 7.87 0.02 . . . . . . . . . . 5919 1 187 . 1 1 21 21 A H1' H 1 5.67 0.02 . . . . . . . . . . 5919 1 188 . 1 1 21 21 A H2' H 1 4.66 0.02 . . . . . . . . . . 5919 1 189 . 1 1 21 21 A H3' H 1 4.38 0.02 . . . . . . . . . . 5919 1 190 . 1 1 21 21 A H4' H 1 4.16 0.02 . . . . . . . . . . 5919 1 191 . 1 1 21 21 A C1' C 13 92.0 0.1 . . . . . . . . . . 5919 1 192 . 1 1 21 21 A C8 C 13 142.2 0.1 . . . . . . . . . . 5919 1 193 . 1 1 21 21 A C2 C 13 156.0 0.1 . . . . . . . . . . 5919 1 194 . 1 1 22 22 G H8 H 1 7.55 0.02 . . . . . . . . . . 5919 1 195 . 1 1 22 22 G H1' H 1 5.10 0.02 . . . . . . . . . . 5919 1 196 . 1 1 22 22 G H2' H 1 4.15 0.02 . . . . . . . . . . 5919 1 197 . 1 1 22 22 G H3' H 1 4.51 0.02 . . . . . . . . . . 5919 1 198 . 1 1 22 22 G H4' H 1 4.20 0.02 . . . . . . . . . . 5919 1 199 . 1 1 22 22 G H1 H 1 10.52 0.02 . . . . . . . . . . 5919 1 200 . 1 1 22 22 G C1' C 13 91.7 0.1 . . . . . . . . . . 5919 1 201 . 1 1 22 22 G C8 C 13 137.8 0.1 . . . . . . . . . . 5919 1 202 . 1 1 22 22 G N1 N 15 147.7 0.1 . . . . . . . . . . 5919 1 203 . 1 1 22 22 G C2 C 13 154.8 0.1 . . . . . . . . . . 5919 1 204 . 1 1 23 23 A H8 H 1 8.13 0.02 . . . . . . . . . . 5919 1 205 . 1 1 23 23 A H2 H 1 8.19 0.02 . . . . . . . . . . 5919 1 206 . 1 1 23 23 A H1' H 1 6.05 0.02 . . . . . . . . . . 5919 1 207 . 1 1 23 23 A H2' H 1 4.57 0.02 . . . . . . . . . . 5919 1 208 . 1 1 23 23 A H3' H 1 4.95 0.02 . . . . . . . . . . 5919 1 209 . 1 1 23 23 A H4' H 1 4.40 0.02 . . . . . . . . . . 5919 1 210 . 1 1 23 23 A C1' C 13 91.4 0.1 . . . . . . . . . . 5919 1 211 . 1 1 23 23 A C8 C 13 140.8 0.1 . . . . . . . . . . 5919 1 212 . 1 1 24 24 G H8 H 1 7.92 0.02 . . . . . . . . . . 5919 1 213 . 1 1 24 24 G H1' H 1 3.85 0.02 . . . . . . . . . . 5919 1 214 . 1 1 24 24 G H2' H 1 4.27 0.02 . . . . . . . . . . 5919 1 215 . 1 1 24 24 G H3' H 1 4.11 0.02 . . . . . . . . . . 5919 1 216 . 1 1 24 24 G H4' H 1 4.19 0.02 . . . . . . . . . . 5919 1 217 . 1 1 24 24 G H1 H 1 12.96 0.02 . . . . . . . . . . 5919 1 218 . 1 1 24 24 G C1' C 13 92.6 0.1 . . . . . . . . . . 5919 1 219 . 1 1 24 24 G C8 C 13 137.7 0.1 . . . . . . . . . . 5919 1 220 . 1 1 24 24 G N1 N 15 149.0 0.1 . . . . . . . . . . 5919 1 221 . 1 1 25 25 C H6 H 1 7.63 0.02 . . . . . . . . . . 5919 1 222 . 1 1 25 25 C H5 H 1 5.17 0.02 . . . . . . . . . . 5919 1 223 . 1 1 25 25 C H1' H 1 5.51 0.02 . . . . . . . . . . 5919 1 224 . 1 1 25 25 C H2' H 1 4.42 0.02 . . . . . . . . . . 5919 1 225 . 1 1 25 25 C H3' H 1 4.39 0.02 . . . . . . . . . . 5919 1 226 . 1 1 25 25 C C1' C 13 93.4 0.1 . . . . . . . . . . 5919 1 227 . 1 1 25 25 C C6 C 13 141.6 0.1 . . . . . . . . . . 5919 1 228 . 1 1 25 25 C C5 C 13 97.2 0.1 . . . . . . . . . . 5919 1 229 . 1 1 26 26 C H6 H 1 7.73 0.02 . . . . . . . . . . 5919 1 230 . 1 1 26 26 C H5 H 1 5.48 0.02 . . . . . . . . . . 5919 1 231 . 1 1 26 26 C H1' H 1 5.48 0.02 . . . . . . . . . . 5919 1 232 . 1 1 26 26 C H2' H 1 4.37 0.02 . . . . . . . . . . 5919 1 233 . 1 1 26 26 C H3' H 1 4.45 0.02 . . . . . . . . . . 5919 1 234 . 1 1 26 26 C C1' C 13 93.7 0.1 . . . . . . . . . . 5919 1 235 . 1 1 26 26 C C6 C 13 141.7 0.1 . . . . . . . . . . 5919 1 236 . 1 1 26 26 C C5 C 13 98.1 0.1 . . . . . . . . . . 5919 1 237 . 1 1 27 27 U H6 H 1 7.81 0.02 . . . . . . . . . . 5919 1 238 . 1 1 27 27 U H5 H 1 5.41 0.02 . . . . . . . . . . 5919 1 239 . 1 1 27 27 U H1' H 1 5.55 0.02 . . . . . . . . . . 5919 1 240 . 1 1 27 27 U H2' H 1 4.52 0.02 . . . . . . . . . . 5919 1 241 . 1 1 27 27 U H3' H 1 4.54 0.02 . . . . . . . . . . 5919 1 242 . 1 1 27 27 U H4' H 1 4.41 0.02 . . . . . . . . . . 5919 1 243 . 1 1 27 27 U H3 H 1 13.50 0.02 . . . . . . . . . . 5919 1 244 . 1 1 27 27 U C1' C 13 92.8 0.1 . . . . . . . . . . 5919 1 245 . 1 1 27 27 U C6 C 13 142.2 0.1 . . . . . . . . . . 5919 1 246 . 1 1 27 27 U N3 N 15 163.3 0.1 . . . . . . . . . . 5919 1 247 . 1 1 27 27 U C5 C 13 104.0 0.1 . . . . . . . . . . 5919 1 248 . 1 1 28 28 G H8 H 1 7.69 0.02 . . . . . . . . . . 5919 1 249 . 1 1 28 28 G H1' H 1 5.74 0.02 . . . . . . . . . . 5919 1 250 . 1 1 28 28 G H2' H 1 4.51 0.02 . . . . . . . . . . 5919 1 251 . 1 1 28 28 G H3' H 1 4.36 0.02 . . . . . . . . . . 5919 1 252 . 1 1 28 28 G H4' H 1 4.45 0.02 . . . . . . . . . . 5919 1 253 . 1 1 28 28 G H1 H 1 10.77 0.02 . . . . . . . . . . 5919 1 254 . 1 1 28 28 G C1' C 13 92.7 0.1 . . . . . . . . . . 5919 1 255 . 1 1 28 28 G C8 C 13 137.4 0.1 . . . . . . . . . . 5919 1 256 . 1 1 28 28 G N1 N 15 144.7 0.1 . . . . . . . . . . 5919 1 257 . 1 1 29 29 C H6 H 1 7.50 0.02 . . . . . . . . . . 5919 1 258 . 1 1 29 29 C H5 H 1 5.24 0.02 . . . . . . . . . . 5919 1 259 . 1 1 29 29 C H1' H 1 5.47 0.02 . . . . . . . . . . 5919 1 260 . 1 1 29 29 C H2' H 1 4.42 0.02 . . . . . . . . . . 5919 1 261 . 1 1 29 29 C H3' H 1 4.43 0.02 . . . . . . . . . . 5919 1 262 . 1 1 29 29 C H4' H 1 4.31 0.02 . . . . . . . . . . 5919 1 263 . 1 1 29 29 C C1' C 13 92.7 0.1 . . . . . . . . . . 5919 1 264 . 1 1 29 29 C C6 C 13 140.6 0.1 . . . . . . . . . . 5919 1 265 . 1 1 29 29 C C5 C 13 97.8 0.1 . . . . . . . . . . 5919 1 266 . 1 1 30 30 G H8 H 1 7.34 0.02 . . . . . . . . . . 5919 1 267 . 1 1 30 30 G H1' H 1 5.67 0.02 . . . . . . . . . . 5919 1 268 . 1 1 30 30 G H2' H 1 4.71 0.02 . . . . . . . . . . 5919 1 269 . 1 1 30 30 G H3' H 1 4.19 0.02 . . . . . . . . . . 5919 1 270 . 1 1 30 30 G H4' H 1 4.45 0.02 . . . . . . . . . . 5919 1 271 . 1 1 30 30 G H1 H 1 10.17 0.02 . . . . . . . . . . 5919 1 272 . 1 1 30 30 G C1' C 13 93.4 0.1 . . . . . . . . . . 5919 1 273 . 1 1 30 30 G C8 C 13 137.6 0.1 . . . . . . . . . . 5919 1 274 . 1 1 30 30 G N1 N 15 143.2 0.1 . . . . . . . . . . 5919 1 275 . 1 1 31 31 G H8 H 1 6.95 0.02 . . . . . . . . . . 5919 1 276 . 1 1 31 31 G H1' H 1 5.63 0.02 . . . . . . . . . . 5919 1 277 . 1 1 31 31 G H2' H 1 4.69 0.02 . . . . . . . . . . 5919 1 278 . 1 1 31 31 G H3' H 1 4.44 0.02 . . . . . . . . . . 5919 1 279 . 1 1 31 31 G H4' H 1 4.41 0.02 . . . . . . . . . . 5919 1 280 . 1 1 31 31 G H1 H 1 12.83 0.02 . . . . . . . . . . 5919 1 281 . 1 1 31 31 G C1' C 13 92.7 0.1 . . . . . . . . . . 5919 1 282 . 1 1 31 31 G C8 C 13 136.1 0.1 . . . . . . . . . . 5919 1 283 . 1 1 31 31 G N1 N 15 148.6 0.1 . . . . . . . . . . 5919 1 284 . 1 1 32 32 A H8 H 1 7.81 0.02 . . . . . . . . . . 5919 1 285 . 1 1 32 32 A H2 H 1 8.0 0.02 . . . . . . . . . . 5919 1 286 . 1 1 32 32 A H1' H 1 5.77 0.02 . . . . . . . . . . 5919 1 287 . 1 1 32 32 A H2' H 1 4.38 0.02 . . . . . . . . . . 5919 1 288 . 1 1 32 32 A H3' H 1 4.69 0.02 . . . . . . . . . . 5919 1 289 . 1 1 32 32 A H4' H 1 4.45 0.02 . . . . . . . . . . 5919 1 290 . 1 1 32 32 A C1' C 13 93.6 0.1 . . . . . . . . . . 5919 1 291 . 1 1 32 32 A C8 C 13 139.7 0.1 . . . . . . . . . . 5919 1 292 . 1 1 32 32 A C2 C 13 155.5 0.1 . . . . . . . . . . 5919 1 293 . 1 1 33 33 A H8 H 1 7.76 0.02 . . . . . . . . . . 5919 1 294 . 1 1 33 33 A H2 H 1 7.69 0.02 . . . . . . . . . . 5919 1 295 . 1 1 33 33 A H1' H 1 5.80 0.02 . . . . . . . . . . 5919 1 296 . 1 1 33 33 A H2' H 1 4.88 0.02 . . . . . . . . . . 5919 1 297 . 1 1 33 33 A H3' H 1 4.32 0.02 . . . . . . . . . . 5919 1 298 . 1 1 33 33 A H4' H 1 4.64 0.02 . . . . . . . . . . 5919 1 299 . 1 1 33 33 A C1' C 13 93.5 0.1 . . . . . . . . . . 5919 1 300 . 1 1 33 33 A C8 C 13 140.4 0.1 . . . . . . . . . . 5919 1 301 . 1 1 33 33 A C2 C 13 154.2 0.1 . . . . . . . . . . 5919 1 302 . 1 1 34 34 A H8 H 1 7.63 0.02 . . . . . . . . . . 5919 1 303 . 1 1 34 34 A H2 H 1 7.97 0.02 . . . . . . . . . . 5919 1 304 . 1 1 34 34 A H1' H 1 5.45 0.02 . . . . . . . . . . 5919 1 305 . 1 1 34 34 A H2' H 1 4.65 0.02 . . . . . . . . . . 5919 1 306 . 1 1 34 34 A H3' H 1 4.53 0.02 . . . . . . . . . . 5919 1 307 . 1 1 34 34 A H4' H 1 4.41 0.02 . . . . . . . . . . 5919 1 308 . 1 1 34 34 A C1' C 13 91.8 0.1 . . . . . . . . . . 5919 1 309 . 1 1 34 34 A C8 C 13 138.8 0.1 . . . . . . . . . . 5919 1 310 . 1 1 34 34 A C2 C 13 154.8 0.1 . . . . . . . . . . 5919 1 311 . 1 1 35 35 A H8 H 1 7.42 0.02 . . . . . . . . . . 5919 1 312 . 1 1 35 35 A H2 H 1 7.89 0.02 . . . . . . . . . . 5919 1 313 . 1 1 35 35 A H1' H 1 5.16 0.02 . . . . . . . . . . 5919 1 314 . 1 1 35 35 A H2' H 1 4.55 0.02 . . . . . . . . . . 5919 1 315 . 1 1 35 35 A H3' H 1 4.32 0.02 . . . . . . . . . . 5919 1 316 . 1 1 35 35 A H4' H 1 4.37 0.02 . . . . . . . . . . 5919 1 317 . 1 1 35 35 A C1' C 13 92.0 0.1 . . . . . . . . . . 5919 1 318 . 1 1 35 35 A C8 C 13 139.1 0.1 . . . . . . . . . . 5919 1 319 . 1 1 35 35 A C2 C 13 154.3 0.1 . . . . . . . . . . 5919 1 320 . 1 1 36 36 A H8 H 1 7.35 0.02 . . . . . . . . . . 5919 1 321 . 1 1 36 36 A H2 H 1 7.61 0.02 . . . . . . . . . . 5919 1 322 . 1 1 36 36 A H1' H 1 5.25 0.02 . . . . . . . . . . 5919 1 323 . 1 1 36 36 A H2' H 1 4.40 0.02 . . . . . . . . . . 5919 1 324 . 1 1 36 36 A H3' H 1 4.27 0.02 . . . . . . . . . . 5919 1 325 . 1 1 36 36 A H4' H 1 4.34 0.02 . . . . . . . . . . 5919 1 326 . 1 1 36 36 A C1' C 13 92.4 0.1 . . . . . . . . . . 5919 1 327 . 1 1 36 36 A C8 C 13 139.7 0.1 . . . . . . . . . . 5919 1 328 . 1 1 36 36 A C2 C 13 154.4 0.1 . . . . . . . . . . 5919 1 329 . 1 1 37 37 U H6 H 1 7.25 0.02 . . . . . . . . . . 5919 1 330 . 1 1 37 37 U H5 H 1 4.82 0.02 . . . . . . . . . . 5919 1 331 . 1 1 37 37 U H1' H 1 5.31 0.02 . . . . . . . . . . 5919 1 332 . 1 1 37 37 U H2' H 1 4.22 0.02 . . . . . . . . . . 5919 1 333 . 1 1 37 37 U H3' H 1 4.42 0.02 . . . . . . . . . . 5919 1 334 . 1 1 37 37 U H4' H 1 4.37 0.02 . . . . . . . . . . 5919 1 335 . 1 1 37 37 U H3 H 1 12.11 0.02 . . . . . . . . . . 5919 1 336 . 1 1 37 37 U C1' C 13 92.1 0.1 . . . . . . . . . . 5919 1 337 . 1 1 37 37 U C6 C 13 140.4 0.1 . . . . . . . . . . 5919 1 338 . 1 1 37 37 U N3 N 15 160.6 0.1 . . . . . . . . . . 5919 1 339 . 1 1 37 37 U C5 C 13 104.1 0.1 . . . . . . . . . . 5919 1 340 . 1 1 38 38 A H8 H 1 7.86 0.02 . . . . . . . . . . 5919 1 341 . 1 1 38 38 A H2 H 1 7.16 0.02 . . . . . . . . . . 5919 1 342 . 1 1 38 38 A H1' H 1 5.83 0.02 . . . . . . . . . . 5919 1 343 . 1 1 38 38 A H2' H 1 4.83 0.02 . . . . . . . . . . 5919 1 344 . 1 1 38 38 A H3' H 1 4.43 0.02 . . . . . . . . . . 5919 1 345 . 1 1 38 38 A H4' H 1 4.48 0.02 . . . . . . . . . . 5919 1 346 . 1 1 38 38 A C1' C 13 92.6 0.1 . . . . . . . . . . 5919 1 347 . 1 1 38 38 A C8 C 13 139.7 0.1 . . . . . . . . . . 5919 1 348 . 1 1 38 38 A C2 C 13 153.6 0.1 . . . . . . . . . . 5919 1 349 . 1 1 39 39 G H8 H 1 7.25 0.02 . . . . . . . . . . 5919 1 350 . 1 1 39 39 G H1' H 1 4.32 0.02 . . . . . . . . . . 5919 1 351 . 1 1 39 39 G H2' H 1 4.23 0.02 . . . . . . . . . . 5919 1 352 . 1 1 39 39 G H3' H 1 4.23 0.02 . . . . . . . . . . 5919 1 353 . 1 1 39 39 G H4' H 1 4.28 0.02 . . . . . . . . . . 5919 1 354 . 1 1 39 39 G H1 H 1 11.50 0.02 . . . . . . . . . . 5919 1 355 . 1 1 39 39 G C1' C 13 92.1 0.1 . . . . . . . . . . 5919 1 356 . 1 1 39 39 G C8 C 13 135.9 0.1 . . . . . . . . . . 5919 1 357 . 1 1 39 39 G N1 N 15 145.7 0.1 . . . . . . . . . . 5919 1 358 . 1 1 40 40 C H6 H 1 7.61 0.02 . . . . . . . . . . 5919 1 359 . 1 1 40 40 C H5 H 1 5.28 0.02 . . . . . . . . . . 5919 1 360 . 1 1 40 40 C H1' H 1 5.41 0.02 . . . . . . . . . . 5919 1 361 . 1 1 40 40 C H2' H 1 4.19 0.02 . . . . . . . . . . 5919 1 362 . 1 1 40 40 C H3' H 1 4.43 0.02 . . . . . . . . . . 5919 1 363 . 1 1 40 40 C H4' H 1 4.32 0.02 . . . . . . . . . . 5919 1 364 . 1 1 40 40 C C1' C 13 93.5 0.1 . . . . . . . . . . 5919 1 365 . 1 1 40 40 C C6 C 13 140.9 0.1 . . . . . . . . . . 5919 1 366 . 1 1 40 40 C C5 C 13 97.5 0.1 . . . . . . . . . . 5919 1 367 . 1 1 41 41 C H6 H 1 7.78 0.02 . . . . . . . . . . 5919 1 368 . 1 1 41 41 C H5 H 1 5.39 0.02 . . . . . . . . . . 5919 1 369 . 1 1 41 41 C H1' H 1 5.47 0.02 . . . . . . . . . . 5919 1 370 . 1 1 41 41 C H2' H 1 4.24 0.02 . . . . . . . . . . 5919 1 371 . 1 1 41 41 C H3' H 1 4.45 0.02 . . . . . . . . . . 5919 1 372 . 1 1 41 41 C H4' H 1 4.33 0.02 . . . . . . . . . . 5919 1 373 . 1 1 41 41 C C1' C 13 93.9 0.1 . . . . . . . . . . 5919 1 374 . 1 1 41 41 C C6 C 13 141.8 0.1 . . . . . . . . . . 5919 1 375 . 1 1 41 41 C C5 C 13 97.7 0.1 . . . . . . . . . . 5919 1 376 . 1 1 42 42 C H6 H 1 7.65 0.02 . . . . . . . . . . 5919 1 377 . 1 1 42 42 C H5 H 1 5.47 0.02 . . . . . . . . . . 5919 1 378 . 1 1 42 42 C H1' H 1 5.73 0.02 . . . . . . . . . . 5919 1 379 . 1 1 42 42 C H2' H 1 3.98 0.02 . . . . . . . . . . 5919 1 380 . 1 1 42 42 C H3' H 1 4.15 0.02 . . . . . . . . . . 5919 1 381 . 1 1 42 42 C C1' C 13 92.4 0.1 . . . . . . . . . . 5919 1 382 . 1 1 42 42 C C6 C 13 142.1 0.1 . . . . . . . . . . 5919 1 383 . 1 1 42 42 C C5 C 13 98.4 0.1 . . . . . . . . . . 5919 1 stop_ save_