data_25049 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25049 _Entry.Title ; A Structure based mechanism for tRNA and retroviral RNA remodeling during primer annealing ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-16 _Entry.Accession_date 2015-10-16 _Entry.Last_release_date 2015-10-16 _Entry.Original_release_date 2015-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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 Victoria D'Souza . . . 25049 2 Zehra Yildiz . . . 25049 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25049 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 25049 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 25049 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 25049 '15N chemical shifts' 27 25049 '1H chemical shifts' 397 25049 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 . . 2015-10-16 2014-06-26 update BMRB 'update entry citation' 25049 1 . . 2014-09-08 2014-06-26 original author 'original release' 25049 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25052 'RNA (68-MER) and Nucleocapsid protein p10' 25049 BMRB 25100 'pf tRNApro:MLV-Nucleocapsid (1:2) Complex' 25049 BMRB 25101 'tRNApro:MLV Nucleocapsid Protein (1:1) Complex' 25049 PDB 2MQT 'BMRB Entry Tracking System' 25049 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25049 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25209668 _Citation.Full_citation . _Citation.Title ; A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 515 _Citation.Journal_issue 7528 _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 591 _Citation.Page_last 595 _Citation.Year 2014 _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 Sarah Miller . B. . 25049 1 2 F. Yildiz . Zehra . 25049 1 3 Jennifer Lo . A. . 25049 1 4 Bo Wang . . . 25049 1 5 Victoria D'Souza . M. . 25049 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25049 _Assembly.ID 1 _Assembly.Name 'RNA (68-MER)' _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 'RNA (68-MER)' 1 $RNA_(68-MER) A . yes native no no . . . 25049 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(68-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(68-MER) _Entity.Entry_ID 25049 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(68-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGCGAGGGUCUCCUCUGAG UGAUUGACUACCCGUCAGCG GGGGUCUUUCAUUUGGGGGC UCGUGCCC ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21894.025 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 93 G . 25049 1 2 94 G . 25049 1 3 95 G . 25049 1 4 96 C . 25049 1 5 97 G . 25049 1 6 98 A . 25049 1 7 99 G . 25049 1 8 100 G . 25049 1 9 101 G . 25049 1 10 102 U . 25049 1 11 103 C . 25049 1 12 104 U . 25049 1 13 105 C . 25049 1 14 106 C . 25049 1 15 107 U . 25049 1 16 108 C . 25049 1 17 109 U . 25049 1 18 110 G . 25049 1 19 111 A . 25049 1 20 112 G . 25049 1 21 113 U . 25049 1 22 114 G . 25049 1 23 115 A . 25049 1 24 116 U . 25049 1 25 117 U . 25049 1 26 118 G . 25049 1 27 119 A . 25049 1 28 120 C . 25049 1 29 121 U . 25049 1 30 122 A . 25049 1 31 123 C . 25049 1 32 124 C . 25049 1 33 125 C . 25049 1 34 126 G . 25049 1 35 127 U . 25049 1 36 128 C . 25049 1 37 129 A . 25049 1 38 130 G . 25049 1 39 131 C . 25049 1 40 132 G . 25049 1 41 133 G . 25049 1 42 134 G . 25049 1 43 135 G . 25049 1 44 136 G . 25049 1 45 137 U . 25049 1 46 138 C . 25049 1 47 139 U . 25049 1 48 140 U . 25049 1 49 141 U . 25049 1 50 142 C . 25049 1 51 143 A . 25049 1 52 144 U . 25049 1 53 145 U . 25049 1 54 146 U . 25049 1 55 147 G . 25049 1 56 148 G . 25049 1 57 149 G . 25049 1 58 150 G . 25049 1 59 151 G . 25049 1 60 152 C . 25049 1 61 153 U . 25049 1 62 154 C . 25049 1 63 155 G . 25049 1 64 156 U . 25049 1 65 157 G . 25049 1 66 158 C . 25049 1 67 159 C . 25049 1 68 160 C . 25049 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 25049 1 . G 2 2 25049 1 . G 3 3 25049 1 . C 4 4 25049 1 . G 5 5 25049 1 . A 6 6 25049 1 . G 7 7 25049 1 . G 8 8 25049 1 . G 9 9 25049 1 . U 10 10 25049 1 . C 11 11 25049 1 . U 12 12 25049 1 . C 13 13 25049 1 . C 14 14 25049 1 . U 15 15 25049 1 . C 16 16 25049 1 . U 17 17 25049 1 . G 18 18 25049 1 . A 19 19 25049 1 . G 20 20 25049 1 . U 21 21 25049 1 . G 22 22 25049 1 . A 23 23 25049 1 . U 24 24 25049 1 . U 25 25 25049 1 . G 26 26 25049 1 . A 27 27 25049 1 . C 28 28 25049 1 . U 29 29 25049 1 . A 30 30 25049 1 . C 31 31 25049 1 . C 32 32 25049 1 . C 33 33 25049 1 . G 34 34 25049 1 . U 35 35 25049 1 . C 36 36 25049 1 . A 37 37 25049 1 . G 38 38 25049 1 . C 39 39 25049 1 . G 40 40 25049 1 . G 41 41 25049 1 . G 42 42 25049 1 . G 43 43 25049 1 . G 44 44 25049 1 . U 45 45 25049 1 . C 46 46 25049 1 . U 47 47 25049 1 . U 48 48 25049 1 . U 49 49 25049 1 . C 50 50 25049 1 . A 51 51 25049 1 . U 52 52 25049 1 . U 53 53 25049 1 . U 54 54 25049 1 . G 55 55 25049 1 . G 56 56 25049 1 . G 57 57 25049 1 . G 58 58 25049 1 . G 59 59 25049 1 . C 60 60 25049 1 . U 61 61 25049 1 . C 62 62 25049 1 . G 63 63 25049 1 . U 64 64 25049 1 . G 65 65 25049 1 . C 66 66 25049 1 . C 67 67 25049 1 . C 68 68 25049 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 25049 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(68-MER) . 11786 virus . 'Murine Leukemia Virus' 'Murine Leukemia Virus' . . Viruses . Gammaretrovirus . . . . . . . . . . . . . . 25049 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 25049 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(68-MER) . 'recombinant technology' 'in vitro transcription' . . . . . . . . . . . pNCA . . . 25049 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25049 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 U5-PBS '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(68-MER) . . 0.8 . . mM . . . . 25049 1 2 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 25049 1 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25049 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25049 1 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 25049 _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 25049 1 pH 7.2 . pH 25049 1 pressure 1 . atm 25049 1 temperature 311 . K 25049 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25049 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25049 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25049 1 'Guntert, Mumenthaler and Wuthrich' . . 25049 1 'Johnson, One Moon Scientific' . . 25049 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25049 1 processing 25049 1 'structure solution' 25049 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25049 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25049 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 700 . . . 25049 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 25049 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25049 1 2 '2D 1H-1H NOESYin H2O' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25049 1 3 '2D 1H-1H NOESYin D2O' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25049 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25049 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25049 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 25049 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25049 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25049 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25049 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 25049 _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-13C HSQC' . . . 25049 1 2 '2D 1H-1H NOESYin H2O' . . . 25049 1 3 '2D 1H-1H NOESYin D2O' . . . 25049 1 4 '3D 1H-13C NOESY' . . . 25049 1 5 '2D 1H-15N HSQC' . . . 25049 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.84074727273 0.0 . 1 . . . A 93 G H1' . 25049 1 2 . 1 1 1 1 G H2' H 1 4.92399272727 0.0 . 1 . . . A 93 G H2' . 25049 1 3 . 1 1 1 1 G H3' H 1 4.56481 0.0 . 1 . . . A 93 G H3' . 25049 1 4 . 1 1 1 1 G H4' H 1 4.565196 0.0 . 1 . . . A 93 G H4' . 25049 1 5 . 1 1 1 1 G H5' H 1 4.27971 0.0 . 2 . . . A 93 G H5' . 25049 1 6 . 1 1 1 1 G H5'' H 1 4.4264275 0.0 . 2 . . . A 93 G H5'' . 25049 1 7 . 1 1 1 1 G H8 H 1 8.14055454545 0.0 . 1 . . . A 93 G H8 . 25049 1 8 . 1 1 1 1 G C1' C 13 91.03584 0.0 . 1 . . . A 93 G C1' . 25049 1 9 . 1 1 1 1 G C2' C 13 74.78263 0.0 . 1 . . . A 93 G C2' . 25049 1 10 . 1 1 1 1 G C4' C 13 83.54225 0.0 . 1 . . . A 93 G C4' . 25049 1 11 . 1 1 1 1 G C5' C 13 67.28905 0.0 . 1 . . . A 93 G C5' . 25049 1 12 . 1 1 1 1 G C8 C 13 139.15388 0.0 . 1 . . . A 93 G C8 . 25049 1 13 . 1 1 2 2 G H1' H 1 5.933185 0.0 . 1 . . . A 94 G H1' . 25049 1 14 . 1 1 2 2 G H8 H 1 7.57025333333 0.0 . 1 . . . A 94 G H8 . 25049 1 15 . 1 1 2 2 G C8 C 13 136.96826 0.0 . 1 . . . A 94 G C8 . 25049 1 16 . 1 1 3 3 G H1' H 1 5.80164 0.0 . 1 . . . A 95 G H1' . 25049 1 17 . 1 1 3 3 G H8 H 1 7.27277428571 0.0 . 1 . . . A 95 G H8 . 25049 1 18 . 1 1 3 3 G C8 C 13 136.03156 0.0 . 1 . . . A 95 G C8 . 25049 1 19 . 1 1 4 4 C H1' H 1 5.54578 0.0 . 1 . . . A 96 C H1' . 25049 1 20 . 1 1 4 4 C H5 H 1 5.192855 0.0 . 1 . . . A 96 C H5 . 25049 1 21 . 1 1 4 4 C H6 H 1 7.42615 0.0 . 1 . . . A 96 C H6 . 25049 1 22 . 1 1 4 4 C C5 C 13 97.592715 0.0 . 1 . . . A 96 C C5 . 25049 1 23 . 1 1 4 4 C C6 C 13 140.402816667 0.0 . 1 . . . A 96 C C6 . 25049 1 24 . 1 1 5 5 G H1' H 1 5.718052 0.0 . 1 . . . A 97 G H1' . 25049 1 25 . 1 1 5 5 G H8 H 1 7.5683525 0.0 . 1 . . . A 97 G H8 . 25049 1 26 . 1 1 5 5 G C1' C 13 92.90923 0.0 . 1 . . . A 97 G C1' . 25049 1 27 . 1 1 5 5 G C8 C 13 137.59271 0.0 . 1 . . . A 97 G C8 . 25049 1 28 . 1 1 6 6 A H1' H 1 5.98832 0.0 . 1 . . . A 98 A H1' . 25049 1 29 . 1 1 6 6 A H2 H 1 7.985585 0.0 . 1 . . . A 98 A H2 . 25049 1 30 . 1 1 6 6 A H8 H 1 7.913465 0.0 . 1 . . . A 98 A H8 . 25049 1 31 . 1 1 6 6 A C1' C 13 89.21347 0.0 . 1 . . . A 98 A C1' . 25049 1 32 . 1 1 6 6 A C2 C 13 152.11711 0.0 . 1 . . . A 98 A C2 . 25049 1 33 . 1 1 6 6 A C8 C 13 137.32875 0.0 . 1 . . . A 98 A C8 . 25049 1 34 . 1 1 7 7 G H1' H 1 5.52807333333 0.0 . 1 . . . A 99 G H1' . 25049 1 35 . 1 1 7 7 G H8 H 1 7.3065 0.0 . 1 . . . A 99 G H8 . 25049 1 36 . 1 1 7 7 G C1' C 13 92.28477 0.0 . 1 . . . A 99 G C1' . 25049 1 37 . 1 1 8 8 G H8 H 1 7.77999 0.0 . 1 . . . A 100 G H8 . 25049 1 38 . 1 1 9 9 G H1' H 1 5.769915 0.0 . 1 . . . A 101 G H1' . 25049 1 39 . 1 1 9 9 G H8 H 1 7.19931 0.0 . 1 . . . A 101 G H8 . 25049 1 40 . 1 1 9 9 G C1' C 13 92.90923 0.0 . 1 . . . A 101 G C1' . 25049 1 41 . 1 1 9 9 G C8 C 13 136.254585714 0.0 . 1 . . . A 101 G C8 . 25049 1 42 . 1 1 10 10 U H5 H 1 5.48562 0.0 . 1 . . . A 102 U H5 . 25049 1 43 . 1 1 10 10 U H6 H 1 7.70198 0.0 . 1 . . . A 102 U H6 . 25049 1 44 . 1 1 10 10 U C5 C 13 101.56972 0.0 . 1 . . . A 102 U C5 . 25049 1 45 . 1 1 10 10 U C6 C 13 137.78871 0.0 . 1 . . . A 102 U C6 . 25049 1 46 . 1 1 11 11 C H6 H 1 7.86785666667 0.0 . 1 . . . A 103 C H6 . 25049 1 47 . 1 1 11 11 C C6 C 13 142.58846 0.0 . 1 . . . A 103 C C6 . 25049 1 48 . 1 1 12 12 U H5 H 1 5.66443 0.0 . 1 . . . A 104 U H5 . 25049 1 49 . 1 1 12 12 U H6 H 1 7.91112666667 0.0 . 1 . . . A 104 U H6 . 25049 1 50 . 1 1 12 12 U C6 C 13 138.898635 0.0 . 1 . . . A 104 U C6 . 25049 1 51 . 1 1 13 13 C H1' H 1 5.54629 0.0 . 1 . . . A 105 C H1' . 25049 1 52 . 1 1 13 13 C H5 H 1 5.6632575 0.0 . 1 . . . A 105 C H5 . 25049 1 53 . 1 1 13 13 C H6 H 1 7.98627 0.0 . 1 . . . A 105 C H6 . 25049 1 54 . 1 1 13 13 C C5 C 13 97.28049 0.0 . 1 . . . A 105 C C5 . 25049 1 55 . 1 1 13 13 C C6 C 13 142.58846 0.0 . 1 . . . A 105 C C6 . 25049 1 56 . 1 1 15 15 U H1' H 1 5.62615666667 0.0 . 1 . . . A 107 U H1' . 25049 1 57 . 1 1 15 15 U H5 H 1 5.762008 0.0 . 1 . . . A 107 U H5 . 25049 1 58 . 1 1 15 15 U H6 H 1 7.86787833333 0.0 . 1 . . . A 107 U H6 . 25049 1 59 . 1 1 15 15 U C1' C 13 80.62447 0.0 . 1 . . . A 107 U C1' . 25049 1 60 . 1 1 15 15 U C5 C 13 102.19418 0.0 . 1 . . . A 107 U C5 . 25049 1 61 . 1 1 15 15 U C6 C 13 139.99146 0.0 . 1 . . . A 107 U C6 . 25049 1 62 . 1 1 16 16 C H1' H 1 5.43489 0.0 . 1 . . . A 108 C H1' . 25049 1 63 . 1 1 16 16 C H2' H 1 3.91959 0.0 . 1 . . . A 108 C H2' . 25049 1 64 . 1 1 16 16 C H3' H 1 4.334615 0.0 . 1 . . . A 108 C H3' . 25049 1 65 . 1 1 16 16 C H4' H 1 4.14743 0.0 . 1 . . . A 108 C H4' . 25049 1 66 . 1 1 16 16 C H5 H 1 5.55108 0.0 . 1 . . . A 108 C H5 . 25049 1 67 . 1 1 16 16 C H6 H 1 7.658466 0.0 . 1 . . . A 108 C H6 . 25049 1 68 . 1 1 16 16 C C1' C 13 92.597 0.0 . 1 . . . A 108 C C1' . 25049 1 69 . 1 1 16 16 C C2' C 13 76.0315942857 0.0 . 1 . . . A 108 C C2' . 25049 1 70 . 1 1 16 16 C C3' C 13 73.5337 0.0 . 1 . . . A 108 C C3' . 25049 1 71 . 1 1 16 16 C C4' C 13 82.91779 0.0 . 1 . . . A 108 C C4' . 25049 1 72 . 1 1 16 16 C C5 C 13 97.28049 0.0 . 1 . . . A 108 C C5 . 25049 1 73 . 1 1 16 16 C C6 C 13 142.58846 0.0 . 1 . . . A 108 C C6 . 25049 1 74 . 1 1 17 17 U H1' H 1 5.56443368421 0.0 . 1 . . . A 109 U H1' . 25049 1 75 . 1 1 17 17 U H2' H 1 4.02364 0.0 . 1 . . . A 109 U H2' . 25049 1 76 . 1 1 17 17 U H3' H 1 4.43527769231 0.0 . 1 . . . A 109 U H3' . 25049 1 77 . 1 1 17 17 U H4' H 1 3.89735 0.0 . 1 . . . A 109 U H4' . 25049 1 78 . 1 1 17 17 U H5 H 1 5.46789 0.0 . 1 . . . A 109 U H5 . 25049 1 79 . 1 1 17 17 U H6 H 1 7.46752625 0.0 . 1 . . . A 109 U H6 . 25049 1 80 . 1 1 17 17 U C1' C 13 88.2164257143 0.0 . 1 . . . A 109 U C1' . 25049 1 81 . 1 1 17 17 U C2' C 13 75.6567822222 0.0 . 1 . . . A 109 U C2' . 25049 1 82 . 1 1 17 17 U C3' C 13 74.05903 0.0 . 1 . . . A 109 U C3' . 25049 1 83 . 1 1 17 17 U C5 C 13 102.506412 0.0 . 1 . . . A 109 U C5 . 25049 1 84 . 1 1 17 17 U C6 C 13 139.98286 0.0 . 1 . . . A 109 U C6 . 25049 1 85 . 1 1 18 18 G H1' H 1 5.63013 0.0 . 1 . . . A 110 G H1' . 25049 1 86 . 1 1 18 18 G H2' H 1 4.71709352941 0.0 . 1 . . . A 110 G H2' . 25049 1 87 . 1 1 18 18 G H3' H 1 4.41951 0.0 . 1 . . . A 110 G H3' . 25049 1 88 . 1 1 18 18 G H4' H 1 4.06784222222 0.0 . 1 . . . A 110 G H4' . 25049 1 89 . 1 1 18 18 G H8 H 1 7.784255 0.0 . 1 . . . A 110 G H8 . 25049 1 90 . 1 1 18 18 G C1' C 13 90.0991285714 0.0 . 1 . . . A 110 G C1' . 25049 1 91 . 1 1 18 18 G C2' C 13 75.875445 0.0 . 1 . . . A 110 G C2' . 25049 1 92 . 1 1 18 18 G C3' C 13 84.16672 0.0 . 1 . . . A 110 G C3' . 25049 1 93 . 1 1 18 18 G C4' C 13 87.60128 0.0 . 1 . . . A 110 G C4' . 25049 1 94 . 1 1 18 18 G C8 C 13 139.46613 0.0 . 1 . . . A 110 G C8 . 25049 1 95 . 1 1 19 19 A H1' H 1 5.95457666667 0.0 . 1 . . . A 111 A H1' . 25049 1 96 . 1 1 19 19 A H2 H 1 7.74352333333 0.0 . 1 . . . A 111 A H2 . 25049 1 97 . 1 1 19 19 A H8 H 1 8.24659 0.0 . 1 . . . A 111 A H8 . 25049 1 98 . 1 1 19 19 A C1' C 13 88.35735 0.0 . 1 . . . A 111 A C1' . 25049 1 99 . 1 1 19 19 A C2 C 13 151.4808 0.0 . 1 . . . A 111 A C2 . 25049 1 100 . 1 1 19 19 A C8 C 13 138.70088 0.0 . 1 . . . A 111 A C8 . 25049 1 101 . 1 1 20 20 G H1' H 1 5.62678 0.0 . 1 . . . A 112 G H1' . 25049 1 102 . 1 1 20 20 G H2' H 1 4.314033 0.0 . 1 . . . A 112 G H2' . 25049 1 103 . 1 1 20 20 G H3' H 1 4.50516777778 0.0 . 1 . . . A 112 G H3' . 25049 1 104 . 1 1 20 20 G H5' H 1 4.16626444444 0.0 . 2 . . . A 112 G H5' . 25049 1 105 . 1 1 20 20 G H5'' H 1 4.38856666667 0.0 . 2 . . . A 112 G H5'' . 25049 1 106 . 1 1 20 20 G H8 H 1 7.47084 0.0 . 1 . . . A 112 G H8 . 25049 1 107 . 1 1 20 20 G C1' C 13 92.597 0.0 . 1 . . . A 112 G C1' . 25049 1 108 . 1 1 20 20 G C2' C 13 73.84593 0.0 . 1 . . . A 112 G C2' . 25049 1 109 . 1 1 20 20 G C3' C 13 82.9177971429 0.0 . 1 . . . A 112 G C3' . 25049 1 110 . 1 1 20 20 G C5' C 13 66.97681 0.0 . 1 . . . A 112 G C5' . 25049 1 111 . 1 1 20 20 G C8 C 13 137.28049125 0.0 . 1 . . . A 112 G C8 . 25049 1 112 . 1 1 21 21 U H1' H 1 5.53850166667 0.0 . 1 . . . A 113 U H1' . 25049 1 113 . 1 1 21 21 U H5 H 1 5.25456777778 0.0 . 1 . . . A 113 U H5 . 25049 1 114 . 1 1 21 21 U H6 H 1 7.65017888889 0.0 . 1 . . . A 113 U H6 . 25049 1 115 . 1 1 21 21 U C1' C 13 90.9367 0.0 . 1 . . . A 113 U C1' . 25049 1 116 . 1 1 21 21 U C5 C 13 100.945258333 0.0 . 1 . . . A 113 U C5 . 25049 1 117 . 1 1 21 21 U C6 C 13 138.10094 0.0 . 1 . . . A 113 U C6 . 25049 1 118 . 1 1 22 22 G H1' H 1 5.834918 0.0 . 1 . . . A 114 G H1' . 25049 1 119 . 1 1 22 22 G H8 H 1 7.70095571429 0.0 . 1 . . . A 114 G H8 . 25049 1 120 . 1 1 22 22 G C1' C 13 92.28477 0.0 . 1 . . . A 114 G C1' . 25049 1 121 . 1 1 22 22 G C8 C 13 136.3438 0.0 . 1 . . . A 114 G C8 . 25049 1 122 . 1 1 23 23 A H1' H 1 5.86608 0.0 . 1 . . . A 115 A H1' . 25049 1 123 . 1 1 23 23 A H2 H 1 7.87557 0.0 . 1 . . . A 115 A H2 . 25049 1 124 . 1 1 23 23 A H8 H 1 7.57035 0.0 . 1 . . . A 115 A H8 . 25049 1 125 . 1 1 23 23 A C1' C 13 90.54239 0.0 . 1 . . . A 115 A C1' . 25049 1 126 . 1 1 23 23 A C2 C 13 151.03818 0.0 . 1 . . . A 115 A C2 . 25049 1 127 . 1 1 23 23 A C8 C 13 136.39948 0.0 . 1 . . . A 115 A C8 . 25049 1 128 . 1 1 24 24 U H1' H 1 5.022426 0.0 . 1 . . . A 116 U H1' . 25049 1 129 . 1 1 24 24 U H5 H 1 5.2178175 0.0 . 1 . . . A 116 U H5 . 25049 1 130 . 1 1 24 24 U H6 H 1 7.24942625 0.0 . 1 . . . A 116 U H6 . 25049 1 131 . 1 1 24 24 U C1' C 13 91.26601 0.0 . 1 . . . A 116 U C1' . 25049 1 132 . 1 1 24 24 U C5 C 13 101.257491429 0.0 . 1 . . . A 116 U C5 . 25049 1 133 . 1 1 24 24 U C6 C 13 137.476474 0.0 . 1 . . . A 116 U C6 . 25049 1 134 . 1 1 25 25 U H1' H 1 5.36995 0.0 . 1 . . . A 117 U H1' . 25049 1 135 . 1 1 25 25 U H5 H 1 5.56624875 0.0 . 1 . . . A 117 U H5 . 25049 1 136 . 1 1 25 25 U H6 H 1 7.77335888889 0.0 . 1 . . . A 117 U H6 . 25049 1 137 . 1 1 25 25 U C1' C 13 91.26601 0.0 . 1 . . . A 117 U C1' . 25049 1 138 . 1 1 25 25 U C5 C 13 101.25748 0.0 . 1 . . . A 117 U C5 . 25049 1 139 . 1 1 25 25 U C6 C 13 140.168496 0.0 . 1 . . . A 117 U C6 . 25049 1 140 . 1 1 26 26 G H1' H 1 5.74293 0.0 . 1 . . . A 118 G H1' . 25049 1 141 . 1 1 26 26 G H8 H 1 7.782265 0.0 . 1 . . . A 118 G H8 . 25049 1 142 . 1 1 26 26 G C1' C 13 90.7236 0.0 . 1 . . . A 118 G C1' . 25049 1 143 . 1 1 26 26 G C8 C 13 136.968268333 0.0 . 1 . . . A 118 G C8 . 25049 1 144 . 1 1 27 27 A H1' H 1 6.030555 0.0 . 1 . . . A 119 A H1' . 25049 1 145 . 1 1 27 27 A H2 H 1 7.95419 0.0 . 1 . . . A 119 A H2 . 25049 1 146 . 1 1 27 27 A H8 H 1 7.85738 0.0 . 1 . . . A 119 A H8 . 25049 1 147 . 1 1 27 27 A C2 C 13 152.12597 0.0 . 1 . . . A 119 A C2 . 25049 1 148 . 1 1 27 27 A C2' C 13 4.74587 0.0 . 1 . . . A 119 A C2' . 25049 1 149 . 1 1 27 27 A C8 C 13 134.027975 0.0 . 1 . . . A 119 A C8 . 25049 1 150 . 1 1 28 28 C H1' H 1 5.404055 0.0 . 1 . . . A 120 C H1' . 25049 1 151 . 1 1 28 28 C H5 H 1 5.13036 0.0 . 1 . . . A 120 C H5 . 25049 1 152 . 1 1 28 28 C H6 H 1 7.32826 0.0 . 1 . . . A 120 C H6 . 25049 1 153 . 1 1 28 28 C C1' C 13 94.15816 0.0 . 1 . . . A 120 C C1' . 25049 1 154 . 1 1 28 28 C C5 C 13 97.2805 0.0 . 1 . . . A 120 C C5 . 25049 1 155 . 1 1 28 28 C C6 C 13 140.71506 0.0 . 1 . . . A 120 C C6 . 25049 1 156 . 1 1 29 29 U H1' H 1 5.76404666667 0.0 . 1 . . . A 121 U H1' . 25049 1 157 . 1 1 29 29 U H5 H 1 5.564794 0.0 . 1 . . . A 121 U H5 . 25049 1 158 . 1 1 29 29 U H6 H 1 7.78405428571 0.0 . 1 . . . A 121 U H6 . 25049 1 159 . 1 1 29 29 U C1' C 13 96.10564 0.0 . 1 . . . A 121 U C1' . 25049 1 160 . 1 1 29 29 U C5 C 13 101.153403333 0.0 . 1 . . . A 121 U C5 . 25049 1 161 . 1 1 30 30 A H1' H 1 6.172795 0.0 . 1 . . . A 122 A H1' . 25049 1 162 . 1 1 30 30 A H2 H 1 8.22186 0.0 . 1 . . . A 122 A H2 . 25049 1 163 . 1 1 30 30 A H2' H 1 4.88621 0.0 . 1 . . . A 122 A H2' . 25049 1 164 . 1 1 30 30 A H3' H 1 4.82767 0.0 . 1 . . . A 122 A H3' . 25049 1 165 . 1 1 30 30 A H4' H 1 4.58932 0.0 . 1 . . . A 122 A H4' . 25049 1 166 . 1 1 30 30 A H5' H 1 4.3746 0.0 . 2 . . . A 122 A H5' . 25049 1 167 . 1 1 30 30 A H5'' H 1 4.27109 0.0 . 2 . . . A 122 A H5'' . 25049 1 168 . 1 1 30 30 A H8 H 1 8.40145 0.0 . 1 . . . A 122 A H8 . 25049 1 169 . 1 1 30 30 A C1' C 13 88.05576 0.0 . 1 . . . A 122 A C1' . 25049 1 170 . 1 1 30 30 A C2 C 13 152.86835 0.0 . 1 . . . A 122 A C2 . 25049 1 171 . 1 1 30 30 A C2' C 13 73.56992 0.0 . 1 . . . A 122 A C2' . 25049 1 172 . 1 1 30 30 A C3' C 13 73.02019 0.0 . 1 . . . A 122 A C3' . 25049 1 173 . 1 1 30 30 A C4' C 13 82.04434 0.0 . 1 . . . A 122 A C4' . 25049 1 174 . 1 1 30 30 A C5' C 13 64.60847 0.0 . 1 . . . A 122 A C5' . 25049 1 175 . 1 1 30 30 A C8 C 13 139.37634 0.0 . 1 . . . A 122 A C8 . 25049 1 176 . 1 1 31 31 C H1' H 1 5.3775 0.0 . 1 . . . A 123 C H1' . 25049 1 177 . 1 1 31 31 C H5 H 1 5.88157833333 0.0 . 1 . . . A 123 C H5 . 25049 1 178 . 1 1 31 31 C H6 H 1 7.96417 0.0 . 1 . . . A 123 C H6 . 25049 1 179 . 1 1 31 31 C C5 C 13 98.21719 0.0 . 1 . . . A 123 C C5 . 25049 1 180 . 1 1 31 31 C C6 C 13 142.58846 0.0 . 1 . . . A 123 C C6 . 25049 1 181 . 1 1 32 32 C H5 H 1 5.5426 0.0 . 1 . . . A 124 C H5 . 25049 1 182 . 1 1 32 32 C H6 H 1 7.874836 0.0 . 1 . . . A 124 C H6 . 25049 1 183 . 1 1 32 32 C C6 C 13 141.65175 0.0 . 1 . . . A 124 C C6 . 25049 1 184 . 1 1 33 33 C H1' H 1 5.50647 0.0 . 1 . . . A 125 C H1' . 25049 1 185 . 1 1 33 33 C H5 H 1 5.46444 0.0 . 1 . . . A 125 C H5 . 25049 1 186 . 1 1 33 33 C H6 H 1 7.75866 0.0 . 1 . . . A 125 C H6 . 25049 1 187 . 1 1 34 34 G H1' H 1 5.70929 0.0 . 1 . . . A 126 G H1' . 25049 1 188 . 1 1 34 34 G H8 H 1 7.4871975 0.0 . 1 . . . A 126 G H8 . 25049 1 189 . 1 1 34 34 G C8 C 13 136.3438 0.0 . 1 . . . A 126 G C8 . 25049 1 190 . 1 1 35 35 U H1' H 1 5.4006 0.0 . 1 . . . A 127 U H1' . 25049 1 191 . 1 1 35 35 U H5 H 1 5.411975 0.0 . 1 . . . A 127 U H5 . 25049 1 192 . 1 1 35 35 U H6 H 1 7.560596 0.0 . 1 . . . A 127 U H6 . 25049 1 193 . 1 1 35 35 U C1' C 13 91.26601 0.0 . 1 . . . A 127 U C1' . 25049 1 194 . 1 1 35 35 U C5 C 13 111.248915 0.0 . 1 . . . A 127 U C5 . 25049 1 195 . 1 1 35 35 U C6 C 13 138.41318 0.0 . 1 . . . A 127 U C6 . 25049 1 196 . 1 1 36 36 C H1' H 1 6.01922 0.0 . 1 . . . A 128 C H1' . 25049 1 197 . 1 1 36 36 C H5 H 1 6.01757666667 0.0 . 1 . . . A 128 C H5 . 25049 1 198 . 1 1 36 36 C H6 H 1 7.97277142857 0.0 . 1 . . . A 128 C H6 . 25049 1 199 . 1 1 36 36 C C5 C 13 99.46612 0.0 . 1 . . . A 128 C C5 . 25049 1 200 . 1 1 36 36 C C6 C 13 144.47894 0.0 . 1 . . . A 128 C C6 . 25049 1 201 . 1 1 37 37 A H1' H 1 5.88523 0.0 . 1 . . . A 129 A H1' . 25049 1 202 . 1 1 37 37 A H2 H 1 7.96448 0.0 . 1 . . . A 129 A H2 . 25049 1 203 . 1 1 37 37 A H8 H 1 8.14223 0.0 . 1 . . . A 129 A H8 . 25049 1 204 . 1 1 37 37 A C1' C 13 87.52675 0.0 . 1 . . . A 129 A C1' . 25049 1 205 . 1 1 37 37 A C2 C 13 152.65019 0.0 . 1 . . . A 129 A C2 . 25049 1 206 . 1 1 37 37 A C8 C 13 138.69763 0.0 . 1 . . . A 129 A C8 . 25049 1 207 . 1 1 38 38 G H1' H 1 5.93030428571 0.0 . 1 . . . A 130 G H1' . 25049 1 208 . 1 1 38 38 G H2' H 1 4.81990285714 0.0 . 1 . . . A 130 G H2' . 25049 1 209 . 1 1 38 38 G H3' H 1 5.29119285714 0.0 . 1 . . . A 130 G H3' . 25049 1 210 . 1 1 38 38 G H8 H 1 7.86955833333 0.0 . 1 . . . A 130 G H8 . 25049 1 211 . 1 1 38 38 G C1' C 13 93.5337 0.0 . 1 . . . A 130 G C1' . 25049 1 212 . 1 1 38 38 G C2' C 13 76.65603 0.0 . 1 . . . A 130 G C2' . 25049 1 213 . 1 1 38 38 G C3' C 13 76.03156 0.0 . 1 . . . A 130 G C3' . 25049 1 214 . 1 1 38 38 G C8 C 13 142.276205 0.0 . 1 . . . A 130 G C8 . 25049 1 215 . 1 1 39 39 C H5 H 1 5.99038 0.0 . 1 . . . A 131 C H5 . 25049 1 216 . 1 1 39 39 C H6 H 1 8.065525 0.0 . 1 . . . A 131 C H6 . 25049 1 217 . 1 1 39 39 C C5 C 13 99.15388 0.0 . 1 . . . A 131 C C5 . 25049 1 218 . 1 1 40 40 G H1' H 1 5.67691 0.0 . 1 . . . A 132 G H1' . 25049 1 219 . 1 1 40 40 G H8 H 1 7.61217666667 0.0 . 1 . . . A 132 G H8 . 25049 1 220 . 1 1 40 40 G C8 C 13 136.3438 0.0 . 1 . . . A 132 G C8 . 25049 1 221 . 1 1 41 41 G H1' H 1 5.7328 0.0 . 1 . . . A 133 G H1' . 25049 1 222 . 1 1 41 41 G H8 H 1 7.19787333333 0.0 . 1 . . . A 133 G H8 . 25049 1 223 . 1 1 41 41 G C8 C 13 135.71933 0.0 . 1 . . . A 133 G C8 . 25049 1 224 . 1 1 42 42 G H1' H 1 5.75087 0.0 . 1 . . . A 134 G H1' . 25049 1 225 . 1 1 42 42 G H8 H 1 7.02475166667 0.0 . 1 . . . A 134 G H8 . 25049 1 226 . 1 1 42 42 G C8 C 13 135.71933 0.0 . 1 . . . A 134 G C8 . 25049 1 227 . 1 1 43 43 G H1' H 1 5.70118 0.0 . 1 . . . A 135 G H1' . 25049 1 228 . 1 1 43 43 G H8 H 1 7.2913 0.0 . 1 . . . A 135 G H8 . 25049 1 229 . 1 1 43 43 G C8 C 13 136.65604 0.0 . 1 . . . A 135 G C8 . 25049 1 230 . 1 1 44 44 G H1' H 1 5.6097 0.0 . 1 . . . A 136 G H1' . 25049 1 231 . 1 1 44 44 G H2' H 1 4.42297666667 0.0 . 1 . . . A 136 G H2' . 25049 1 232 . 1 1 44 44 G H8 H 1 7.291105 0.0 . 1 . . . A 136 G H8 . 25049 1 233 . 1 1 44 44 G C2' C 13 84.16672 0.0 . 1 . . . A 136 G C2' . 25049 1 234 . 1 1 44 44 G C8 C 13 136.3438 0.0 . 1 . . . A 136 G C8 . 25049 1 235 . 1 1 45 45 U H5 H 1 5.058635 0.0 . 1 . . . A 137 U H5 . 25049 1 236 . 1 1 45 45 U H6 H 1 7.741245 0.0 . 1 . . . A 137 U H6 . 25049 1 237 . 1 1 45 45 U C5 C 13 99.69631 0.0 . 1 . . . A 137 U C5 . 25049 1 238 . 1 1 45 45 U C6 C 13 139.34987 0.0 . 1 . . . A 137 U C6 . 25049 1 239 . 1 1 46 46 C H1' H 1 5.59426666667 0.0 . 1 . . . A 138 C H1' . 25049 1 240 . 1 1 46 46 C C1' C 13 93.84593 0.0 . 1 . . . A 138 C C1' . 25049 1 241 . 1 1 47 47 U H1' H 1 5.53228142857 0.0 . 1 . . . A 139 U H1' . 25049 1 242 . 1 1 47 47 U H6 H 1 7.779898 0.0 . 1 . . . A 139 U H6 . 25049 1 243 . 1 1 47 47 U C1' C 13 91.57826 0.0 . 1 . . . A 139 U C1' . 25049 1 244 . 1 1 47 47 U C6 C 13 138.72542 0.0 . 1 . . . A 139 U C6 . 25049 1 245 . 1 1 48 48 U H1' H 1 5.35234444444 0.0 . 1 . . . A 140 U H1' . 25049 1 246 . 1 1 48 48 U H5 H 1 5.62432571429 0.0 . 1 . . . A 140 U H5 . 25049 1 247 . 1 1 48 48 U H6 H 1 7.864648 0.0 . 1 . . . A 140 U H6 . 25049 1 248 . 1 1 48 48 U C1' C 13 95.574848 0.0 . 1 . . . A 140 U C1' . 25049 1 249 . 1 1 48 48 U C5 C 13 100.633013333 0.0 . 1 . . . A 140 U C5 . 25049 1 250 . 1 1 48 48 U C6 C 13 140.5988 0.0 . 1 . . . A 140 U C6 . 25049 1 251 . 1 1 49 49 U H1' H 1 5.74614 0.0 . 1 . . . A 141 U H1' . 25049 1 252 . 1 1 49 49 U H5 H 1 5.798543 0.0 . 1 . . . A 141 U H5 . 25049 1 253 . 1 1 49 49 U H6 H 1 8.029811 0.0 . 1 . . . A 141 U H6 . 25049 1 254 . 1 1 49 49 U C1' C 13 90.01711 0.0 . 1 . . . A 141 U C1' . 25049 1 255 . 1 1 49 49 U C5 C 13 100.94525 0.0 . 1 . . . A 141 U C5 . 25049 1 256 . 1 1 49 49 U C6 C 13 140.5988 0.0 . 1 . . . A 141 U C6 . 25049 1 257 . 1 1 50 50 C H1' H 1 5.560582 0.0 . 1 . . . A 142 C H1' . 25049 1 258 . 1 1 50 50 C H5 H 1 5.713088 0.0 . 1 . . . A 142 C H5 . 25049 1 259 . 1 1 50 50 C H6 H 1 7.74510666667 0.0 . 1 . . . A 142 C H6 . 25049 1 260 . 1 1 50 50 C C1' C 13 94.15816 0.0 . 1 . . . A 142 C C1' . 25049 1 261 . 1 1 50 50 C C5 C 13 98.21719 0.0 . 1 . . . A 142 C C5 . 25049 1 262 . 1 1 50 50 C C6 C 13 141.9639925 0.0 . 1 . . . A 142 C C6 . 25049 1 263 . 1 1 51 51 A H1' H 1 5.93903 0.0 . 1 . . . A 143 A H1' . 25049 1 264 . 1 1 51 51 A H2 H 1 7.40083 0.0 . 1 . . . A 143 A H2 . 25049 1 265 . 1 1 51 51 A H8 H 1 8.02385 0.0 . 1 . . . A 143 A H8 . 25049 1 266 . 1 1 51 51 A C1' C 13 90.52962 0.0 . 1 . . . A 143 A C1' . 25049 1 267 . 1 1 51 51 A C2 C 13 150.72108 0.0 . 1 . . . A 143 A C2 . 25049 1 268 . 1 1 51 51 A C8 C 13 137.00296 0.0 . 1 . . . A 143 A C8 . 25049 1 269 . 1 1 52 52 U H1' H 1 5.410585 0.0 . 1 . . . A 144 U H1' . 25049 1 270 . 1 1 52 52 U H2' H 1 4.08326 0.0 . 1 . . . A 144 U H2' . 25049 1 271 . 1 1 52 52 U H5 H 1 5.40721125 0.0 . 1 . . . A 144 U H5 . 25049 1 272 . 1 1 52 52 U H6 H 1 7.55867444444 0.0 . 1 . . . A 144 U H6 . 25049 1 273 . 1 1 52 52 U C1' C 13 90.32934 0.0 . 1 . . . A 144 U C1' . 25049 1 274 . 1 1 52 52 U C5 C 13 110.312224 0.0 . 1 . . . A 144 U C5 . 25049 1 275 . 1 1 52 52 U C6 C 13 138.10094 0.0 . 1 . . . A 144 U C6 . 25049 1 276 . 1 1 53 53 U H1' H 1 5.86488888889 0.0 . 1 . . . A 145 U H1' . 25049 1 277 . 1 1 53 53 U H5 H 1 5.56659 0.0 . 1 . . . A 145 U H5 . 25049 1 278 . 1 1 53 53 U H6 H 1 7.79296666667 0.0 . 1 . . . A 145 U H6 . 25049 1 279 . 1 1 53 53 U C1' C 13 89.0633 0.0 . 1 . . . A 145 U C1' . 25049 1 280 . 1 1 53 53 U C5 C 13 101.5697 0.0 . 1 . . . A 145 U C5 . 25049 1 281 . 1 1 53 53 U C6 C 13 140.59879 0.0 . 1 . . . A 145 U C6 . 25049 1 282 . 1 1 54 54 U H1' H 1 5.62684285714 0.0 . 1 . . . A 146 U H1' . 25049 1 283 . 1 1 54 54 U H5 H 1 5.76193571429 0.0 . 1 . . . A 146 U H5 . 25049 1 284 . 1 1 54 54 U H6 H 1 7.865428 0.0 . 1 . . . A 146 U H6 . 25049 1 285 . 1 1 54 54 U C1' C 13 90.62447 0.0 . 1 . . . A 146 U C1' . 25049 1 286 . 1 1 54 54 U C5 C 13 101.56972 0.0 . 1 . . . A 146 U C5 . 25049 1 287 . 1 1 54 54 U C6 C 13 138.632733333 0.0 . 1 . . . A 146 U C6 . 25049 1 288 . 1 1 55 55 G H1' H 1 5.79365 0.0 . 1 . . . A 147 G H1' . 25049 1 289 . 1 1 55 55 G H8 H 1 7.80713333333 0.0 . 1 . . . A 147 G H8 . 25049 1 290 . 1 1 55 55 G C1' C 13 91.97253 0.0 . 1 . . . A 147 G C1' . 25049 1 291 . 1 1 55 55 G C8 C 13 136.96826 0.0 . 1 . . . A 147 G C8 . 25049 1 292 . 1 1 56 56 G H1' H 1 5.857215 0.0 . 1 . . . A 148 G H1' . 25049 1 293 . 1 1 56 56 G H8 H 1 7.31548555556 0.0 . 1 . . . A 148 G H8 . 25049 1 294 . 1 1 56 56 G C8 C 13 136.65604 0.0 . 1 . . . A 148 G C8 . 25049 1 295 . 1 1 57 57 G H1' H 1 5.810445 0.0 . 1 . . . A 149 G H1' . 25049 1 296 . 1 1 57 57 G H8 H 1 7.16226571429 0.0 . 1 . . . A 149 G H8 . 25049 1 297 . 1 1 57 57 G C8 C 13 136.65604 0.0 . 1 . . . A 149 G C8 . 25049 1 298 . 1 1 58 58 G H1' H 1 5.8167 0.0 . 1 . . . A 150 G H1' . 25049 1 299 . 1 1 58 58 G H8 H 1 7.2999475 0.0 . 1 . . . A 150 G H8 . 25049 1 300 . 1 1 58 58 G C8 C 13 136.3438 0.0 . 1 . . . A 150 G C8 . 25049 1 301 . 1 1 59 59 G H1' H 1 5.77131 0.0 . 1 . . . A 151 G H1' . 25049 1 302 . 1 1 59 59 G H8 H 1 7.197716 0.0 . 1 . . . A 151 G H8 . 25049 1 303 . 1 1 59 59 G C8 C 13 136.65604 0.0 . 1 . . . A 151 G C8 . 25049 1 304 . 1 1 60 60 C H1' H 1 5.552165 0.0 . 1 . . . A 152 C H1' . 25049 1 305 . 1 1 60 60 C H5 H 1 5.29592 0.0 . 1 . . . A 152 C H5 . 25049 1 306 . 1 1 60 60 C H6 H 1 7.58074 0.0 . 1 . . . A 152 C H6 . 25049 1 307 . 1 1 60 60 C C5 C 13 97.28049 0.0 . 1 . . . A 152 C C5 . 25049 1 308 . 1 1 60 60 C C6 C 13 140.71506 0.0 . 1 . . . A 152 C C6 . 25049 1 309 . 1 1 61 61 U H5 H 1 5.76191333333 0.0 . 1 . . . A 153 U H5 . 25049 1 310 . 1 1 61 61 U H6 H 1 7.86975666667 0.0 . 1 . . . A 153 U H6 . 25049 1 311 . 1 1 61 61 U C5 C 13 101.8819125 0.0 . 1 . . . A 153 U C5 . 25049 1 312 . 1 1 61 61 U C6 C 13 140.297993333 0.0 . 1 . . . A 153 U C6 . 25049 1 313 . 1 1 62 62 C H1' H 1 5.74982 0.0 . 1 . . . A 154 C H1' . 25049 1 314 . 1 1 62 62 C H6 H 1 7.76876 0.0 . 1 . . . A 154 C H6 . 25049 1 315 . 1 1 63 63 G H1' H 1 5.76267 0.0 . 1 . . . A 155 G H1' . 25049 1 316 . 1 1 63 63 G H3' H 1 4.790385 0.0 . 1 . . . A 155 G H3' . 25049 1 317 . 1 1 63 63 G H8 H 1 7.997162 0.0 . 1 . . . A 155 G H8 . 25049 1 318 . 1 1 63 63 G C1' C 13 89.16244 0.0 . 1 . . . A 155 G C1' . 25049 1 319 . 1 1 63 63 G C3' C 13 77.28049 0.0 . 1 . . . A 155 G C3' . 25049 1 320 . 1 1 63 63 G C8 C 13 139.77835 0.0 . 1 . . . A 155 G C8 . 25049 1 321 . 1 1 64 64 U H1' H 1 5.686725 0.0 . 1 . . . A 156 U H1' . 25049 1 322 . 1 1 64 64 U H5 H 1 5.29344 0.0 . 1 . . . A 156 U H5 . 25049 1 323 . 1 1 64 64 U H6 H 1 7.67817 0.0 . 1 . . . A 156 U H6 . 25049 1 324 . 1 1 64 64 U C1' C 13 89.37553 0.0 . 1 . . . A 156 U C1' . 25049 1 325 . 1 1 64 64 U C6 C 13 139.05475 0.0 . 1 . . . A 156 U C6 . 25049 1 326 . 1 1 65 65 G H1' H 1 5.67405 0.0 . 1 . . . A 157 G H1' . 25049 1 327 . 1 1 65 65 G H8 H 1 7.98550166667 0.0 . 1 . . . A 157 G H8 . 25049 1 328 . 1 1 65 65 G C8 C 13 137.59271 0.0 . 1 . . . A 157 G C8 . 25049 1 329 . 1 1 66 66 C H1' H 1 5.68251 0.0 . 1 . . . A 158 C H1' . 25049 1 330 . 1 1 66 66 C H5 H 1 5.25082 0.0 . 1 . . . A 158 C H5 . 25049 1 331 . 1 1 66 66 C H6 H 1 7.73513 0.0 . 1 . . . A 158 C H6 . 25049 1 332 . 1 1 66 66 C C5 C 13 96.65603 0.0 . 1 . . . A 158 C C5 . 25049 1 333 . 1 1 66 66 C C6 C 13 141.33952 0.0 . 1 . . . A 158 C C6 . 25049 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 25049 _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 1 '2D 1H-13C HSQC' . . . 25049 2 2 '2D 1H-1H NOESYin H2O' . . . 25049 2 3 '2D 1H-1H NOESYin D2O' . . . 25049 2 4 '3D 1H-13C NOESY' . . . 25049 2 5 '2D 1H-15N HSQC' . . . 25049 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 1 1 G H1' H 1 5.84074727273 0.0 . 1 . . . A 93 G H1' . 25049 2 2 . 1 1 1 1 G H2' H 1 4.92399272727 0.0 . 1 . . . A 93 G H2' . 25049 2 3 . 1 1 1 1 G H3' H 1 4.56481 0.0 . 1 . . . A 93 G H3' . 25049 2 4 . 1 1 1 1 G H4' H 1 4.565196 0.0 . 1 . . . A 93 G H4' . 25049 2 5 . 1 1 1 1 G H5' H 1 4.27971 0.0 . 2 . . . A 93 G H5' . 25049 2 6 . 1 1 1 1 G H5'' H 1 4.4264275 0.0 . 2 . . . A 93 G H5'' . 25049 2 7 . 1 1 1 1 G H8 H 1 8.14055454545 0.0 . 1 . . . A 93 G H8 . 25049 2 8 . 1 1 1 1 G C1' C 13 91.03584 0.0 . 1 . . . A 93 G C1' . 25049 2 9 . 1 1 1 1 G C2' C 13 74.78263 0.0 . 1 . . . A 93 G C2' . 25049 2 10 . 1 1 1 1 G C4' C 13 83.54225 0.0 . 1 . . . A 93 G C4' . 25049 2 11 . 1 1 1 1 G C5' C 13 67.28905 0.0 . 1 . . . A 93 G C5' . 25049 2 12 . 1 1 1 1 G C8 C 13 139.15388 0.0 . 1 . . . A 93 G C8 . 25049 2 13 . 1 1 2 2 G H1' H 1 5.933185 0.0 . 1 . . . A 94 G H1' . 25049 2 14 . 1 1 2 2 G H8 H 1 7.57025333333 0.0 . 1 . . . A 94 G H8 . 25049 2 15 . 1 1 2 2 G C8 C 13 136.96826 0.0 . 1 . . . A 94 G C8 . 25049 2 16 . 1 1 3 3 G H1' H 1 5.80164 0.0 . 1 . . . A 95 G H1' . 25049 2 17 . 1 1 3 3 G H8 H 1 7.27277428571 0.0 . 1 . . . A 95 G H8 . 25049 2 18 . 1 1 3 3 G C8 C 13 136.03156 0.0 . 1 . . . A 95 G C8 . 25049 2 19 . 1 1 4 4 C H1' H 1 5.54578 0.0 . 1 . . . A 96 C H1' . 25049 2 20 . 1 1 4 4 C H5 H 1 5.192855 0.0 . 1 . . . A 96 C H5 . 25049 2 21 . 1 1 4 4 C H6 H 1 7.42615 0.0 . 1 . . . A 96 C H6 . 25049 2 22 . 1 1 4 4 C C5 C 13 97.592715 0.0 . 1 . . . A 96 C C5 . 25049 2 23 . 1 1 4 4 C C6 C 13 140.402816667 0.0 . 1 . . . A 96 C C6 . 25049 2 24 . 1 1 5 5 G H1' H 1 5.718052 0.0 . 1 . . . A 97 G H1' . 25049 2 25 . 1 1 5 5 G H8 H 1 7.5683525 0.0 . 1 . . . A 97 G H8 . 25049 2 26 . 1 1 5 5 G C1' C 13 92.90923 0.0 . 1 . . . A 97 G C1' . 25049 2 27 . 1 1 5 5 G C8 C 13 137.59271 0.0 . 1 . . . A 97 G C8 . 25049 2 28 . 1 1 6 6 A H1' H 1 5.98832 0.0 . 1 . . . A 98 A H1' . 25049 2 29 . 1 1 6 6 A H2 H 1 7.985585 0.0 . 1 . . . A 98 A H2 . 25049 2 30 . 1 1 6 6 A H8 H 1 7.913465 0.0 . 1 . . . A 98 A H8 . 25049 2 31 . 1 1 6 6 A C1' C 13 89.21347 0.0 . 1 . . . A 98 A C1' . 25049 2 32 . 1 1 6 6 A C2 C 13 152.11711 0.0 . 1 . . . A 98 A C2 . 25049 2 33 . 1 1 6 6 A C8 C 13 137.32875 0.0 . 1 . . . A 98 A C8 . 25049 2 34 . 1 1 7 7 G H1' H 1 5.52807333333 0.0 . 1 . . . A 99 G H1' . 25049 2 35 . 1 1 7 7 G H8 H 1 7.3065 0.0 . 1 . . . A 99 G H8 . 25049 2 36 . 1 1 7 7 G C1' C 13 92.28477 0.0 . 1 . . . A 99 G C1' . 25049 2 37 . 1 1 8 8 G H8 H 1 7.77999 0.0 . 1 . . . A 100 G H8 . 25049 2 38 . 1 1 9 9 G H1' H 1 5.769915 0.0 . 1 . . . A 101 G H1' . 25049 2 39 . 1 1 9 9 G H8 H 1 7.19931 0.0 . 1 . . . A 101 G H8 . 25049 2 40 . 1 1 9 9 G C1' C 13 92.90923 0.0 . 1 . . . A 101 G C1' . 25049 2 41 . 1 1 9 9 G C8 C 13 136.254585714 0.0 . 1 . . . A 101 G C8 . 25049 2 42 . 1 1 10 10 U H5 H 1 5.48562 0.0 . 1 . . . A 102 U H5 . 25049 2 43 . 1 1 10 10 U H6 H 1 7.70198 0.0 . 1 . . . A 102 U H6 . 25049 2 44 . 1 1 10 10 U C5 C 13 101.56972 0.0 . 1 . . . A 102 U C5 . 25049 2 45 . 1 1 10 10 U C6 C 13 137.78871 0.0 . 1 . . . A 102 U C6 . 25049 2 46 . 1 1 11 11 C H6 H 1 7.86785666667 0.0 . 1 . . . A 103 C H6 . 25049 2 47 . 1 1 11 11 C C6 C 13 142.58846 0.0 . 1 . . . A 103 C C6 . 25049 2 48 . 1 1 12 12 U H5 H 1 5.66443 0.0 . 1 . . . A 104 U H5 . 25049 2 49 . 1 1 12 12 U H6 H 1 7.91112666667 0.0 . 1 . . . A 104 U H6 . 25049 2 50 . 1 1 12 12 U C6 C 13 138.898635 0.0 . 1 . . . A 104 U C6 . 25049 2 51 . 1 1 13 13 C H1' H 1 5.54629 0.0 . 1 . . . A 105 C H1' . 25049 2 52 . 1 1 13 13 C H5 H 1 5.6632575 0.0 . 1 . . . A 105 C H5 . 25049 2 53 . 1 1 13 13 C H6 H 1 7.98627 0.0 . 1 . . . A 105 C H6 . 25049 2 54 . 1 1 13 13 C C5 C 13 97.28049 0.0 . 1 . . . A 105 C C5 . 25049 2 55 . 1 1 13 13 C C6 C 13 142.58846 0.0 . 1 . . . A 105 C C6 . 25049 2 56 . 1 1 15 15 U H1' H 1 5.62615666667 0.0 . 1 . . . A 107 U H1' . 25049 2 57 . 1 1 15 15 U H5 H 1 5.762008 0.0 . 1 . . . A 107 U H5 . 25049 2 58 . 1 1 15 15 U H6 H 1 7.86787833333 0.0 . 1 . . . A 107 U H6 . 25049 2 59 . 1 1 15 15 U C1' C 13 80.62447 0.0 . 1 . . . A 107 U C1' . 25049 2 60 . 1 1 15 15 U C5 C 13 102.19418 0.0 . 1 . . . A 107 U C5 . 25049 2 61 . 1 1 15 15 U C6 C 13 139.99146 0.0 . 1 . . . A 107 U C6 . 25049 2 62 . 1 1 16 16 C H1' H 1 5.43489 0.0 . 1 . . . A 108 C H1' . 25049 2 63 . 1 1 16 16 C H2' H 1 3.91959 0.0 . 1 . . . A 108 C H2' . 25049 2 64 . 1 1 16 16 C H3' H 1 4.334615 0.0 . 1 . . . A 108 C H3' . 25049 2 65 . 1 1 16 16 C H4' H 1 4.14743 0.0 . 1 . . . A 108 C H4' . 25049 2 66 . 1 1 16 16 C H5 H 1 5.55108 0.0 . 1 . . . A 108 C H5 . 25049 2 67 . 1 1 16 16 C H6 H 1 7.658466 0.0 . 1 . . . A 108 C H6 . 25049 2 68 . 1 1 16 16 C C1' C 13 92.597 0.0 . 1 . . . A 108 C C1' . 25049 2 69 . 1 1 16 16 C C2' C 13 76.0315942857 0.0 . 1 . . . A 108 C C2' . 25049 2 70 . 1 1 16 16 C C3' C 13 73.5337 0.0 . 1 . . . A 108 C C3' . 25049 2 71 . 1 1 16 16 C C4' C 13 82.91779 0.0 . 1 . . . A 108 C C4' . 25049 2 72 . 1 1 16 16 C C5 C 13 97.28049 0.0 . 1 . . . A 108 C C5 . 25049 2 73 . 1 1 16 16 C C6 C 13 142.58846 0.0 . 1 . . . A 108 C C6 . 25049 2 74 . 1 1 17 17 U H1' H 1 5.56443368421 0.0 . 1 . . . A 109 U H1' . 25049 2 75 . 1 1 17 17 U H2' H 1 4.02364 0.0 . 1 . . . A 109 U H2' . 25049 2 76 . 1 1 17 17 U H3' H 1 4.43527769231 0.0 . 1 . . . A 109 U H3' . 25049 2 77 . 1 1 17 17 U H4' H 1 3.89735 0.0 . 1 . . . A 109 U H4' . 25049 2 78 . 1 1 17 17 U H5 H 1 5.46789 0.0 . 1 . . . A 109 U H5 . 25049 2 79 . 1 1 17 17 U H6 H 1 7.46752625 0.0 . 1 . . . A 109 U H6 . 25049 2 80 . 1 1 17 17 U C1' C 13 88.2164257143 0.0 . 1 . . . A 109 U C1' . 25049 2 81 . 1 1 17 17 U C2' C 13 75.6567822222 0.0 . 1 . . . A 109 U C2' . 25049 2 82 . 1 1 17 17 U C3' C 13 74.05903 0.0 . 1 . . . A 109 U C3' . 25049 2 83 . 1 1 17 17 U C5 C 13 102.506412 0.0 . 1 . . . A 109 U C5 . 25049 2 84 . 1 1 17 17 U C6 C 13 139.98286 0.0 . 1 . . . A 109 U C6 . 25049 2 85 . 1 1 18 18 G H1' H 1 5.63013 0.0 . 1 . . . A 110 G H1' . 25049 2 86 . 1 1 18 18 G H2' H 1 4.71709352941 0.0 . 1 . . . A 110 G H2' . 25049 2 87 . 1 1 18 18 G H3' H 1 4.41951 0.0 . 1 . . . A 110 G H3' . 25049 2 88 . 1 1 18 18 G H4' H 1 4.06784222222 0.0 . 1 . . . A 110 G H4' . 25049 2 89 . 1 1 18 18 G H8 H 1 7.784255 0.0 . 1 . . . A 110 G H8 . 25049 2 90 . 1 1 18 18 G C1' C 13 90.0991285714 0.0 . 1 . . . A 110 G C1' . 25049 2 91 . 1 1 18 18 G C2' C 13 75.875445 0.0 . 1 . . . A 110 G C2' . 25049 2 92 . 1 1 18 18 G C3' C 13 84.16672 0.0 . 1 . . . A 110 G C3' . 25049 2 93 . 1 1 18 18 G C4' C 13 87.60128 0.0 . 1 . . . A 110 G C4' . 25049 2 94 . 1 1 18 18 G C8 C 13 139.46613 0.0 . 1 . . . A 110 G C8 . 25049 2 95 . 1 1 19 19 A H1' H 1 5.95457666667 0.0 . 1 . . . A 111 A H1' . 25049 2 96 . 1 1 19 19 A H2 H 1 7.74352333333 0.0 . 1 . . . A 111 A H2 . 25049 2 97 . 1 1 19 19 A H8 H 1 8.24659 0.0 . 1 . . . A 111 A H8 . 25049 2 98 . 1 1 19 19 A C1' C 13 88.35735 0.0 . 1 . . . A 111 A C1' . 25049 2 99 . 1 1 19 19 A C2 C 13 151.4808 0.0 . 1 . . . A 111 A C2 . 25049 2 100 . 1 1 19 19 A C8 C 13 138.70088 0.0 . 1 . . . A 111 A C8 . 25049 2 101 . 1 1 20 20 G H1' H 1 5.62678 0.0 . 1 . . . A 112 G H1' . 25049 2 102 . 1 1 20 20 G H2' H 1 4.314033 0.0 . 1 . . . A 112 G H2' . 25049 2 103 . 1 1 20 20 G H3' H 1 4.50516777778 0.0 . 1 . . . A 112 G H3' . 25049 2 104 . 1 1 20 20 G H5' H 1 4.16626444444 0.0 . 2 . . . A 112 G H5' . 25049 2 105 . 1 1 20 20 G H5'' H 1 4.38856666667 0.0 . 2 . . . A 112 G H5'' . 25049 2 106 . 1 1 20 20 G H8 H 1 7.47084 0.0 . 1 . . . A 112 G H8 . 25049 2 107 . 1 1 20 20 G C1' C 13 92.597 0.0 . 1 . . . A 112 G C1' . 25049 2 108 . 1 1 20 20 G C2' C 13 73.84593 0.0 . 1 . . . A 112 G C2' . 25049 2 109 . 1 1 20 20 G C3' C 13 82.9177971429 0.0 . 1 . . . A 112 G C3' . 25049 2 110 . 1 1 20 20 G C5' C 13 66.97681 0.0 . 1 . . . A 112 G C5' . 25049 2 111 . 1 1 20 20 G C8 C 13 137.28049125 0.0 . 1 . . . A 112 G C8 . 25049 2 112 . 1 1 21 21 U H1' H 1 5.53850166667 0.0 . 1 . . . A 113 U H1' . 25049 2 113 . 1 1 21 21 U H5 H 1 5.25456777778 0.0 . 1 . . . A 113 U H5 . 25049 2 114 . 1 1 21 21 U H6 H 1 7.65017888889 0.0 . 1 . . . A 113 U H6 . 25049 2 115 . 1 1 21 21 U C1' C 13 90.9367 0.0 . 1 . . . A 113 U C1' . 25049 2 116 . 1 1 21 21 U C5 C 13 100.945258333 0.0 . 1 . . . A 113 U C5 . 25049 2 117 . 1 1 21 21 U C6 C 13 138.10094 0.0 . 1 . . . A 113 U C6 . 25049 2 118 . 1 1 22 22 G H1' H 1 5.834918 0.0 . 1 . . . A 114 G H1' . 25049 2 119 . 1 1 22 22 G H8 H 1 7.70095571429 0.0 . 1 . . . A 114 G H8 . 25049 2 120 . 1 1 22 22 G C1' C 13 92.28477 0.0 . 1 . . . A 114 G C1' . 25049 2 121 . 1 1 22 22 G C8 C 13 136.3438 0.0 . 1 . . . A 114 G C8 . 25049 2 122 . 1 1 23 23 A H1' H 1 5.86608 0.0 . 1 . . . A 115 A H1' . 25049 2 123 . 1 1 23 23 A H2 H 1 7.87557 0.0 . 1 . . . A 115 A H2 . 25049 2 124 . 1 1 23 23 A H8 H 1 7.57035 0.0 . 1 . . . A 115 A H8 . 25049 2 125 . 1 1 23 23 A C1' C 13 90.54239 0.0 . 1 . . . A 115 A C1' . 25049 2 126 . 1 1 23 23 A C2 C 13 151.03818 0.0 . 1 . . . A 115 A C2 . 25049 2 127 . 1 1 23 23 A C8 C 13 136.39948 0.0 . 1 . . . A 115 A C8 . 25049 2 128 . 1 1 24 24 U H1' H 1 5.022426 0.0 . 1 . . . A 116 U H1' . 25049 2 129 . 1 1 24 24 U H5 H 1 5.2178175 0.0 . 1 . . . A 116 U H5 . 25049 2 130 . 1 1 24 24 U H6 H 1 7.24942625 0.0 . 1 . . . A 116 U H6 . 25049 2 131 . 1 1 24 24 U C1' C 13 91.26601 0.0 . 1 . . . A 116 U C1' . 25049 2 132 . 1 1 24 24 U C5 C 13 101.257491429 0.0 . 1 . . . A 116 U C5 . 25049 2 133 . 1 1 24 24 U C6 C 13 137.476474 0.0 . 1 . . . A 116 U C6 . 25049 2 134 . 1 1 25 25 U H1' H 1 5.36995 0.0 . 1 . . . A 117 U H1' . 25049 2 135 . 1 1 25 25 U H5 H 1 5.56624875 0.0 . 1 . . . A 117 U H5 . 25049 2 136 . 1 1 25 25 U H6 H 1 7.77335888889 0.0 . 1 . . . A 117 U H6 . 25049 2 137 . 1 1 25 25 U C1' C 13 91.26601 0.0 . 1 . . . A 117 U C1' . 25049 2 138 . 1 1 25 25 U C5 C 13 101.25748 0.0 . 1 . . . A 117 U C5 . 25049 2 139 . 1 1 25 25 U C6 C 13 140.168496 0.0 . 1 . . . A 117 U C6 . 25049 2 140 . 1 1 26 26 G H1' H 1 5.74293 0.0 . 1 . . . A 118 G H1' . 25049 2 141 . 1 1 26 26 G H8 H 1 7.782265 0.0 . 1 . . . A 118 G H8 . 25049 2 142 . 1 1 26 26 G C1' C 13 90.7236 0.0 . 1 . . . A 118 G C1' . 25049 2 143 . 1 1 26 26 G C8 C 13 136.968268333 0.0 . 1 . . . A 118 G C8 . 25049 2 144 . 1 1 27 27 A H1' H 1 6.030555 0.0 . 1 . . . A 119 A H1' . 25049 2 145 . 1 1 27 27 A H2 H 1 7.95419 0.0 . 1 . . . A 119 A H2 . 25049 2 146 . 1 1 27 27 A H8 H 1 7.85738 0.0 . 1 . . . A 119 A H8 . 25049 2 147 . 1 1 27 27 A C2 C 13 152.12597 0.0 . 1 . . . A 119 A C2 . 25049 2 148 . 1 1 27 27 A C2' C 13 4.74587 0.0 . 1 . . . A 119 A C2' . 25049 2 149 . 1 1 27 27 A C8 C 13 134.027975 0.0 . 1 . . . A 119 A C8 . 25049 2 150 . 1 1 28 28 C H1' H 1 5.404055 0.0 . 1 . . . A 120 C H1' . 25049 2 151 . 1 1 28 28 C H5 H 1 5.13036 0.0 . 1 . . . A 120 C H5 . 25049 2 152 . 1 1 28 28 C H6 H 1 7.32826 0.0 . 1 . . . A 120 C H6 . 25049 2 153 . 1 1 28 28 C C1' C 13 94.15816 0.0 . 1 . . . A 120 C C1' . 25049 2 154 . 1 1 28 28 C C5 C 13 97.2805 0.0 . 1 . . . A 120 C C5 . 25049 2 155 . 1 1 28 28 C C6 C 13 140.71506 0.0 . 1 . . . A 120 C C6 . 25049 2 156 . 1 1 29 29 U H1' H 1 5.76404666667 0.0 . 1 . . . A 121 U H1' . 25049 2 157 . 1 1 29 29 U H5 H 1 5.564794 0.0 . 1 . . . A 121 U H5 . 25049 2 158 . 1 1 29 29 U H6 H 1 7.78405428571 0.0 . 1 . . . A 121 U H6 . 25049 2 159 . 1 1 29 29 U C1' C 13 96.10564 0.0 . 1 . . . A 121 U C1' . 25049 2 160 . 1 1 29 29 U C5 C 13 101.153403333 0.0 . 1 . . . A 121 U C5 . 25049 2 161 . 1 1 30 30 A H1' H 1 6.172795 0.0 . 1 . . . A 122 A H1' . 25049 2 162 . 1 1 30 30 A H2 H 1 8.22186 0.0 . 1 . . . A 122 A H2 . 25049 2 163 . 1 1 30 30 A H2' H 1 4.88621 0.0 . 1 . . . A 122 A H2' . 25049 2 164 . 1 1 30 30 A H3' H 1 4.82767 0.0 . 1 . . . A 122 A H3' . 25049 2 165 . 1 1 30 30 A H4' H 1 4.58932 0.0 . 1 . . . A 122 A H4' . 25049 2 166 . 1 1 30 30 A H5' H 1 4.3746 0.0 . 2 . . . A 122 A H5' . 25049 2 167 . 1 1 30 30 A H5'' H 1 4.27109 0.0 . 2 . . . A 122 A H5'' . 25049 2 168 . 1 1 30 30 A H8 H 1 8.40145 0.0 . 1 . . . A 122 A H8 . 25049 2 169 . 1 1 30 30 A C1' C 13 88.05576 0.0 . 1 . . . A 122 A C1' . 25049 2 170 . 1 1 30 30 A C2 C 13 152.86835 0.0 . 1 . . . A 122 A C2 . 25049 2 171 . 1 1 30 30 A C2' C 13 73.56992 0.0 . 1 . . . A 122 A C2' . 25049 2 172 . 1 1 30 30 A C3' C 13 73.02019 0.0 . 1 . . . A 122 A C3' . 25049 2 173 . 1 1 30 30 A C4' C 13 82.04434 0.0 . 1 . . . A 122 A C4' . 25049 2 174 . 1 1 30 30 A C5' C 13 64.60847 0.0 . 1 . . . A 122 A C5' . 25049 2 175 . 1 1 30 30 A C8 C 13 139.37634 0.0 . 1 . . . A 122 A C8 . 25049 2 176 . 1 1 31 31 C H1' H 1 5.3775 0.0 . 1 . . . A 123 C H1' . 25049 2 177 . 1 1 31 31 C H5 H 1 5.88157833333 0.0 . 1 . . . A 123 C H5 . 25049 2 178 . 1 1 31 31 C H6 H 1 7.96417 0.0 . 1 . . . A 123 C H6 . 25049 2 179 . 1 1 31 31 C C5 C 13 98.21719 0.0 . 1 . . . A 123 C C5 . 25049 2 180 . 1 1 31 31 C C6 C 13 142.58846 0.0 . 1 . . . A 123 C C6 . 25049 2 181 . 1 1 32 32 C H5 H 1 5.5426 0.0 . 1 . . . A 124 C H5 . 25049 2 182 . 1 1 32 32 C H6 H 1 7.874836 0.0 . 1 . . . A 124 C H6 . 25049 2 183 . 1 1 32 32 C C6 C 13 141.65175 0.0 . 1 . . . A 124 C C6 . 25049 2 184 . 1 1 33 33 C H1' H 1 5.50647 0.0 . 1 . . . A 125 C H1' . 25049 2 185 . 1 1 33 33 C H5 H 1 5.46444 0.0 . 1 . . . A 125 C H5 . 25049 2 186 . 1 1 33 33 C H6 H 1 7.75866 0.0 . 1 . . . A 125 C H6 . 25049 2 187 . 1 1 34 34 G H1' H 1 5.70929 0.0 . 1 . . . A 126 G H1' . 25049 2 188 . 1 1 34 34 G H8 H 1 7.4871975 0.0 . 1 . . . A 126 G H8 . 25049 2 189 . 1 1 34 34 G C8 C 13 136.3438 0.0 . 1 . . . A 126 G C8 . 25049 2 190 . 1 1 35 35 U H1' H 1 5.4006 0.0 . 1 . . . A 127 U H1' . 25049 2 191 . 1 1 35 35 U H5 H 1 5.411975 0.0 . 1 . . . A 127 U H5 . 25049 2 192 . 1 1 35 35 U H6 H 1 7.560596 0.0 . 1 . . . A 127 U H6 . 25049 2 193 . 1 1 35 35 U C1' C 13 91.26601 0.0 . 1 . . . A 127 U C1' . 25049 2 194 . 1 1 35 35 U C5 C 13 111.248915 0.0 . 1 . . . A 127 U C5 . 25049 2 195 . 1 1 35 35 U C6 C 13 138.41318 0.0 . 1 . . . A 127 U C6 . 25049 2 196 . 1 1 36 36 C H1' H 1 6.01922 0.0 . 1 . . . A 128 C H1' . 25049 2 197 . 1 1 36 36 C H5 H 1 6.01757666667 0.0 . 1 . . . A 128 C H5 . 25049 2 198 . 1 1 36 36 C H6 H 1 7.97277142857 0.0 . 1 . . . A 128 C H6 . 25049 2 199 . 1 1 36 36 C C5 C 13 99.46612 0.0 . 1 . . . A 128 C C5 . 25049 2 200 . 1 1 36 36 C C6 C 13 144.47894 0.0 . 1 . . . A 128 C C6 . 25049 2 201 . 1 1 37 37 A H1' H 1 5.88523 0.0 . 1 . . . A 129 A H1' . 25049 2 202 . 1 1 37 37 A H2 H 1 7.96448 0.0 . 1 . . . A 129 A H2 . 25049 2 203 . 1 1 37 37 A H8 H 1 8.14223 0.0 . 1 . . . A 129 A H8 . 25049 2 204 . 1 1 37 37 A C1' C 13 87.52675 0.0 . 1 . . . A 129 A C1' . 25049 2 205 . 1 1 37 37 A C2 C 13 152.65019 0.0 . 1 . . . A 129 A C2 . 25049 2 206 . 1 1 37 37 A C8 C 13 138.69763 0.0 . 1 . . . A 129 A C8 . 25049 2 207 . 1 1 38 38 G H1' H 1 5.93030428571 0.0 . 1 . . . A 130 G H1' . 25049 2 208 . 1 1 38 38 G H2' H 1 4.81990285714 0.0 . 1 . . . A 130 G H2' . 25049 2 209 . 1 1 38 38 G H3' H 1 5.29119285714 0.0 . 1 . . . A 130 G H3' . 25049 2 210 . 1 1 38 38 G H8 H 1 7.86955833333 0.0 . 1 . . . A 130 G H8 . 25049 2 211 . 1 1 38 38 G C1' C 13 93.5337 0.0 . 1 . . . A 130 G C1' . 25049 2 212 . 1 1 38 38 G C2' C 13 76.65603 0.0 . 1 . . . A 130 G C2' . 25049 2 213 . 1 1 38 38 G C3' C 13 76.03156 0.0 . 1 . . . A 130 G C3' . 25049 2 214 . 1 1 38 38 G C8 C 13 142.276205 0.0 . 1 . . . A 130 G C8 . 25049 2 215 . 1 1 39 39 C H5 H 1 5.99038 0.0 . 1 . . . A 131 C H5 . 25049 2 216 . 1 1 39 39 C H6 H 1 8.065525 0.0 . 1 . . . A 131 C H6 . 25049 2 217 . 1 1 39 39 C C5 C 13 99.15388 0.0 . 1 . . . A 131 C C5 . 25049 2 218 . 1 1 40 40 G H1' H 1 5.67691 0.0 . 1 . . . A 132 G H1' . 25049 2 219 . 1 1 40 40 G H8 H 1 7.61217666667 0.0 . 1 . . . A 132 G H8 . 25049 2 220 . 1 1 40 40 G C8 C 13 136.3438 0.0 . 1 . . . A 132 G C8 . 25049 2 221 . 1 1 41 41 G H1' H 1 5.7328 0.0 . 1 . . . A 133 G H1' . 25049 2 222 . 1 1 41 41 G H8 H 1 7.19787333333 0.0 . 1 . . . A 133 G H8 . 25049 2 223 . 1 1 41 41 G C8 C 13 135.71933 0.0 . 1 . . . A 133 G C8 . 25049 2 224 . 1 1 42 42 G H1' H 1 5.75087 0.0 . 1 . . . A 134 G H1' . 25049 2 225 . 1 1 42 42 G H8 H 1 7.02475166667 0.0 . 1 . . . A 134 G H8 . 25049 2 226 . 1 1 42 42 G C8 C 13 135.71933 0.0 . 1 . . . A 134 G C8 . 25049 2 227 . 1 1 43 43 G H1' H 1 5.70118 0.0 . 1 . . . A 135 G H1' . 25049 2 228 . 1 1 43 43 G H8 H 1 7.2913 0.0 . 1 . . . A 135 G H8 . 25049 2 229 . 1 1 43 43 G C8 C 13 136.65604 0.0 . 1 . . . A 135 G C8 . 25049 2 230 . 1 1 44 44 G H1' H 1 5.6097 0.0 . 1 . . . A 136 G H1' . 25049 2 231 . 1 1 44 44 G H2' H 1 4.42297666667 0.0 . 1 . . . A 136 G H2' . 25049 2 232 . 1 1 44 44 G H8 H 1 7.291105 0.0 . 1 . . . A 136 G H8 . 25049 2 233 . 1 1 44 44 G C2' C 13 84.16672 0.0 . 1 . . . A 136 G C2' . 25049 2 234 . 1 1 44 44 G C8 C 13 136.3438 0.0 . 1 . . . A 136 G C8 . 25049 2 235 . 1 1 45 45 U H5 H 1 5.058635 0.0 . 1 . . . A 137 U H5 . 25049 2 236 . 1 1 45 45 U H6 H 1 7.741245 0.0 . 1 . . . A 137 U H6 . 25049 2 237 . 1 1 45 45 U C5 C 13 99.69631 0.0 . 1 . . . A 137 U C5 . 25049 2 238 . 1 1 45 45 U C6 C 13 139.34987 0.0 . 1 . . . A 137 U C6 . 25049 2 239 . 1 1 46 46 C H1' H 1 5.59426666667 0.0 . 1 . . . A 138 C H1' . 25049 2 240 . 1 1 46 46 C C1' C 13 93.84593 0.0 . 1 . . . A 138 C C1' . 25049 2 241 . 1 1 47 47 U H1' H 1 5.53228142857 0.0 . 1 . . . A 139 U H1' . 25049 2 242 . 1 1 47 47 U H6 H 1 7.779898 0.0 . 1 . . . A 139 U H6 . 25049 2 243 . 1 1 47 47 U C1' C 13 91.57826 0.0 . 1 . . . A 139 U C1' . 25049 2 244 . 1 1 47 47 U C6 C 13 138.72542 0.0 . 1 . . . A 139 U C6 . 25049 2 245 . 1 1 48 48 U H1' H 1 5.35234444444 0.0 . 1 . . . A 140 U H1' . 25049 2 246 . 1 1 48 48 U H5 H 1 5.62432571429 0.0 . 1 . . . A 140 U H5 . 25049 2 247 . 1 1 48 48 U H6 H 1 7.864648 0.0 . 1 . . . A 140 U H6 . 25049 2 248 . 1 1 48 48 U C1' C 13 95.574848 0.0 . 1 . . . A 140 U C1' . 25049 2 249 . 1 1 48 48 U C5 C 13 100.633013333 0.0 . 1 . . . A 140 U C5 . 25049 2 250 . 1 1 48 48 U C6 C 13 140.5988 0.0 . 1 . . . A 140 U C6 . 25049 2 251 . 1 1 49 49 U H1' H 1 5.74614 0.0 . 1 . . . A 141 U H1' . 25049 2 252 . 1 1 49 49 U H5 H 1 5.798543 0.0 . 1 . . . A 141 U H5 . 25049 2 253 . 1 1 49 49 U H6 H 1 8.029811 0.0 . 1 . . . A 141 U H6 . 25049 2 254 . 1 1 49 49 U C1' C 13 90.01711 0.0 . 1 . . . A 141 U C1' . 25049 2 255 . 1 1 49 49 U C5 C 13 100.94525 0.0 . 1 . . . A 141 U C5 . 25049 2 256 . 1 1 49 49 U C6 C 13 140.5988 0.0 . 1 . . . A 141 U C6 . 25049 2 257 . 1 1 50 50 C H1' H 1 5.560582 0.0 . 1 . . . A 142 C H1' . 25049 2 258 . 1 1 50 50 C H5 H 1 5.713088 0.0 . 1 . . . A 142 C H5 . 25049 2 259 . 1 1 50 50 C H6 H 1 7.74510666667 0.0 . 1 . . . A 142 C H6 . 25049 2 260 . 1 1 50 50 C C1' C 13 94.15816 0.0 . 1 . . . A 142 C C1' . 25049 2 261 . 1 1 50 50 C C5 C 13 98.21719 0.0 . 1 . . . A 142 C C5 . 25049 2 262 . 1 1 50 50 C C6 C 13 141.9639925 0.0 . 1 . . . A 142 C C6 . 25049 2 263 . 1 1 51 51 A H1' H 1 5.93903 0.0 . 1 . . . A 143 A H1' . 25049 2 264 . 1 1 51 51 A H2 H 1 7.40083 0.0 . 1 . . . A 143 A H2 . 25049 2 265 . 1 1 51 51 A H8 H 1 8.02385 0.0 . 1 . . . A 143 A H8 . 25049 2 266 . 1 1 51 51 A C1' C 13 90.52962 0.0 . 1 . . . A 143 A C1' . 25049 2 267 . 1 1 51 51 A C2 C 13 150.72108 0.0 . 1 . . . A 143 A C2 . 25049 2 268 . 1 1 51 51 A C8 C 13 137.00296 0.0 . 1 . . . A 143 A C8 . 25049 2 269 . 1 1 52 52 U H1' H 1 5.410585 0.0 . 1 . . . A 144 U H1' . 25049 2 270 . 1 1 52 52 U H2' H 1 4.08326 0.0 . 1 . . . A 144 U H2' . 25049 2 271 . 1 1 52 52 U H5 H 1 5.40721125 0.0 . 1 . . . A 144 U H5 . 25049 2 272 . 1 1 52 52 U H6 H 1 7.55867444444 0.0 . 1 . . . A 144 U H6 . 25049 2 273 . 1 1 52 52 U C1' C 13 90.32934 0.0 . 1 . . . A 144 U C1' . 25049 2 274 . 1 1 52 52 U C5 C 13 110.312224 0.0 . 1 . . . A 144 U C5 . 25049 2 275 . 1 1 52 52 U C6 C 13 138.10094 0.0 . 1 . . . A 144 U C6 . 25049 2 276 . 1 1 53 53 U H1' H 1 5.86488888889 0.0 . 1 . . . A 145 U H1' . 25049 2 277 . 1 1 53 53 U H5 H 1 5.56659 0.0 . 1 . . . A 145 U H5 . 25049 2 278 . 1 1 53 53 U H6 H 1 7.79296666667 0.0 . 1 . . . A 145 U H6 . 25049 2 279 . 1 1 53 53 U C1' C 13 89.0633 0.0 . 1 . . . A 145 U C1' . 25049 2 280 . 1 1 53 53 U C5 C 13 101.5697 0.0 . 1 . . . A 145 U C5 . 25049 2 281 . 1 1 53 53 U C6 C 13 140.59879 0.0 . 1 . . . A 145 U C6 . 25049 2 282 . 1 1 54 54 U H1' H 1 5.62684285714 0.0 . 1 . . . A 146 U H1' . 25049 2 283 . 1 1 54 54 U H5 H 1 5.76193571429 0.0 . 1 . . . A 146 U H5 . 25049 2 284 . 1 1 54 54 U H6 H 1 7.865428 0.0 . 1 . . . A 146 U H6 . 25049 2 285 . 1 1 54 54 U C1' C 13 90.62447 0.0 . 1 . . . A 146 U C1' . 25049 2 286 . 1 1 54 54 U C5 C 13 101.56972 0.0 . 1 . . . A 146 U C5 . 25049 2 287 . 1 1 54 54 U C6 C 13 138.632733333 0.0 . 1 . . . A 146 U C6 . 25049 2 288 . 1 1 55 55 G H1' H 1 5.79365 0.0 . 1 . . . A 147 G H1' . 25049 2 289 . 1 1 55 55 G H8 H 1 7.80713333333 0.0 . 1 . . . A 147 G H8 . 25049 2 290 . 1 1 55 55 G C1' C 13 91.97253 0.0 . 1 . . . A 147 G C1' . 25049 2 291 . 1 1 55 55 G C8 C 13 136.96826 0.0 . 1 . . . A 147 G C8 . 25049 2 292 . 1 1 56 56 G H1' H 1 5.857215 0.0 . 1 . . . A 148 G H1' . 25049 2 293 . 1 1 56 56 G H8 H 1 7.31548555556 0.0 . 1 . . . A 148 G H8 . 25049 2 294 . 1 1 56 56 G C8 C 13 136.65604 0.0 . 1 . . . A 148 G C8 . 25049 2 295 . 1 1 57 57 G H1' H 1 5.810445 0.0 . 1 . . . A 149 G H1' . 25049 2 296 . 1 1 57 57 G H8 H 1 7.16226571429 0.0 . 1 . . . A 149 G H8 . 25049 2 297 . 1 1 57 57 G C8 C 13 136.65604 0.0 . 1 . . . A 149 G C8 . 25049 2 298 . 1 1 58 58 G H1' H 1 5.8167 0.0 . 1 . . . A 150 G H1' . 25049 2 299 . 1 1 58 58 G H8 H 1 7.2999475 0.0 . 1 . . . A 150 G H8 . 25049 2 300 . 1 1 58 58 G C8 C 13 136.3438 0.0 . 1 . . . A 150 G C8 . 25049 2 301 . 1 1 59 59 G H1' H 1 5.77131 0.0 . 1 . . . A 151 G H1' . 25049 2 302 . 1 1 59 59 G H8 H 1 7.197716 0.0 . 1 . . . A 151 G H8 . 25049 2 303 . 1 1 59 59 G C8 C 13 136.65604 0.0 . 1 . . . A 151 G C8 . 25049 2 304 . 1 1 60 60 C H1' H 1 5.552165 0.0 . 1 . . . A 152 C H1' . 25049 2 305 . 1 1 60 60 C H5 H 1 5.29592 0.0 . 1 . . . A 152 C H5 . 25049 2 306 . 1 1 60 60 C H6 H 1 7.58074 0.0 . 1 . . . A 152 C H6 . 25049 2 307 . 1 1 60 60 C C5 C 13 97.28049 0.0 . 1 . . . A 152 C C5 . 25049 2 308 . 1 1 60 60 C C6 C 13 140.71506 0.0 . 1 . . . A 152 C C6 . 25049 2 309 . 1 1 61 61 U H5 H 1 5.76191333333 0.0 . 1 . . . A 153 U H5 . 25049 2 310 . 1 1 61 61 U H6 H 1 7.86975666667 0.0 . 1 . . . A 153 U H6 . 25049 2 311 . 1 1 61 61 U C5 C 13 101.8819125 0.0 . 1 . . . A 153 U C5 . 25049 2 312 . 1 1 61 61 U C6 C 13 140.297993333 0.0 . 1 . . . A 153 U C6 . 25049 2 313 . 1 1 62 62 C H1' H 1 5.74982 0.0 . 1 . . . A 154 C H1' . 25049 2 314 . 1 1 62 62 C H6 H 1 7.76876 0.0 . 1 . . . A 154 C H6 . 25049 2 315 . 1 1 63 63 G H1' H 1 5.76267 0.0 . 1 . . . A 155 G H1' . 25049 2 316 . 1 1 63 63 G H3' H 1 4.790385 0.0 . 1 . . . A 155 G H3' . 25049 2 317 . 1 1 63 63 G H8 H 1 7.997162 0.0 . 1 . . . A 155 G H8 . 25049 2 318 . 1 1 63 63 G C1' C 13 89.16244 0.0 . 1 . . . A 155 G C1' . 25049 2 319 . 1 1 63 63 G C3' C 13 77.28049 0.0 . 1 . . . A 155 G C3' . 25049 2 320 . 1 1 63 63 G C8 C 13 139.77835 0.0 . 1 . . . A 155 G C8 . 25049 2 321 . 1 1 64 64 U H1' H 1 5.686725 0.0 . 1 . . . A 156 U H1' . 25049 2 322 . 1 1 64 64 U H5 H 1 5.29344 0.0 . 1 . . . A 156 U H5 . 25049 2 323 . 1 1 64 64 U H6 H 1 7.67817 0.0 . 1 . . . A 156 U H6 . 25049 2 324 . 1 1 64 64 U C1' C 13 89.37553 0.0 . 1 . . . A 156 U C1' . 25049 2 325 . 1 1 64 64 U C6 C 13 139.05475 0.0 . 1 . . . A 156 U C6 . 25049 2 326 . 1 1 65 65 G H1' H 1 5.67405 0.0 . 1 . . . A 157 G H1' . 25049 2 327 . 1 1 65 65 G H8 H 1 7.98550166667 0.0 . 1 . . . A 157 G H8 . 25049 2 328 . 1 1 65 65 G C8 C 13 137.59271 0.0 . 1 . . . A 157 G C8 . 25049 2 329 . 1 1 66 66 C H1' H 1 5.68251 0.0 . 1 . . . A 158 C H1' . 25049 2 330 . 1 1 66 66 C H5 H 1 5.25082 0.0 . 1 . . . A 158 C H5 . 25049 2 331 . 1 1 66 66 C H6 H 1 7.73513 0.0 . 1 . . . A 158 C H6 . 25049 2 332 . 1 1 66 66 C C5 C 13 96.65603 0.0 . 1 . . . A 158 C C5 . 25049 2 333 . 1 1 66 66 C C6 C 13 141.33952 0.0 . 1 . . . A 158 C C6 . 25049 2 stop_ save_ save_assigned_chem_shift_list_2_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup _Assigned_chem_shift_list.Entry_ID 25049 _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 1 '2D 1H-13C HSQC' . . . 25049 3 2 '2D 1H-1H NOESYin H2O' . . . 25049 3 3 '2D 1H-1H NOESYin D2O' . . . 25049 3 4 '3D 1H-13C NOESY' . . . 25049 3 5 '2D 1H-15N HSQC' . . . 25049 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 5 5 G H1 H 1 9.77116 0.0 . 1 . . . A 97 G H1 . 25049 3 2 . 1 1 5 5 G N1 N 15 141.32568 0.0 . 1 . . . A 97 G N1 . 25049 3 3 . 1 1 7 7 G H1 H 1 12.03951 0.0 . 1 . . . A 99 G H1 . 25049 3 4 . 1 1 7 7 G N1 N 15 148.62137 0.0 . 1 . . . A 99 G N1 . 25049 3 5 . 1 1 8 8 G H1 H 1 10.67689 0.0 . 1 . . . A 100 G H1 . 25049 3 6 . 1 1 8 8 G N1 N 15 142.24649 0.0 . 1 . . . A 100 G N1 . 25049 3 7 . 1 1 9 9 G H1 H 1 13.22475 0.0 . 1 . . . A 101 G H1 . 25049 3 8 . 1 1 9 9 G N1 N 15 148.30766 0.0 . 1 . . . A 101 G N1 . 25049 3 9 . 1 1 10 10 U H3 H 1 11.90424 0.0 . 1 . . . A 102 U H3 . 25049 3 10 . 1 1 10 10 U N3 N 15 157.5089 0.0 . 1 . . . A 102 U N3 . 25049 3 11 . 1 1 12 12 U H3 H 1 11.77363 0.0 . 1 . . . A 104 U H3 . 25049 3 12 . 1 1 12 12 U N3 N 15 155.09723 0.0 . 1 . . . A 104 U N3 . 25049 3 13 . 1 1 20 20 G H1 H 1 11.33233 0.0 . 1 . . . A 112 G H1 . 25049 3 14 . 1 1 20 20 G N1 N 15 143.83609 0.0 . 1 . . . A 112 G N1 . 25049 3 15 . 1 1 21 21 U H3 H 1 13.42254 0.0 . 1 . . . A 113 U H3 . 25049 3 16 . 1 1 21 21 U N3 N 15 164.47319 0.0 . 1 . . . A 113 U N3 . 25049 3 17 . 1 1 22 22 G H1 H 1 11.24935 0.0 . 1 . . . A 114 G H1 . 25049 3 18 . 1 1 22 22 G N1 N 15 145.52499 0.0 . 1 . . . A 114 G N1 . 25049 3 19 . 1 1 24 24 U H3 H 1 11.00006 0.0 . 1 . . . A 116 U H3 . 25049 3 20 . 1 1 24 24 U N3 N 15 151.85785 0.0 . 1 . . . A 116 U N3 . 25049 3 21 . 1 1 25 25 U H3 H 1 10.86554 0.0 . 1 . . . A 117 U H3 . 25049 3 22 . 1 1 25 25 U N3 N 15 154.00287 0.0 . 1 . . . A 117 U N3 . 25049 3 23 . 1 1 29 29 U H3 H 1 11.78755 0.0 . 1 . . . A 121 U H3 . 25049 3 24 . 1 1 29 29 U N3 N 15 155.0704 0.0 . 1 . . . A 121 U N3 . 25049 3 25 . 1 1 34 34 G H1 H 1 12.92771 0.0 . 1 . . . A 126 G H1 . 25049 3 26 . 1 1 34 34 G N1 N 15 148.71623 0.0 . 1 . . . A 126 G N1 . 25049 3 27 . 1 1 38 38 G H1 H 1 10.6312 0.0 . 1 . . . A 130 G H1 . 25049 3 28 . 1 1 38 38 G N1 N 15 142.24649 0.0 . 1 . . . A 130 G N1 . 25049 3 29 . 1 1 42 42 G H1 H 1 12.59315 0.0 . 1 . . . A 134 G H1 . 25049 3 30 . 1 1 42 42 G N1 N 15 147.83209 0.0 . 1 . . . A 134 G N1 . 25049 3 31 . 1 1 43 43 G H1 H 1 10.35437 0.0 . 1 . . . A 135 G H1 . 25049 3 32 . 1 1 43 43 G N1 N 15 143.0054 0.0 . 1 . . . A 135 G N1 . 25049 3 33 . 1 1 45 45 U H3 H 1 13.81514 0.0 . 1 . . . A 137 U H3 . 25049 3 34 . 1 1 45 45 U N3 N 15 163.80875 0.0 . 1 . . . A 137 U N3 . 25049 3 35 . 1 1 47 47 U H3 H 1 10.09018 0.0 . 1 . . . A 139 U H3 . 25049 3 36 . 1 1 47 47 U N3 N 15 149.43719 0.0 . 1 . . . A 139 U N3 . 25049 3 37 . 1 1 48 48 U H3 H 1 10.77992 0.0 . 1 . . . A 140 U H3 . 25049 3 38 . 1 1 48 48 U N3 N 15 155.24414 0.0 . 1 . . . A 140 U N3 . 25049 3 39 . 1 1 49 49 U H3 H 1 14.50302 0.0 . 1 . . . A 141 U H3 . 25049 3 40 . 1 1 49 49 U N3 N 15 167.30324 0.0 . 1 . . . A 141 U N3 . 25049 3 41 . 1 1 52 52 U H3 H 1 11.40617 0.0 . 1 . . . A 144 U H3 . 25049 3 42 . 1 1 52 52 U N3 N 15 155.09723 0.0 . 1 . . . A 144 U N3 . 25049 3 43 . 1 1 55 55 G H1 H 1 11.97824 0.0 . 1 . . . A 147 G H1 . 25049 3 44 . 1 1 55 55 G N1 N 15 146.32881 0.0 . 1 . . . A 147 G N1 . 25049 3 45 . 1 1 57 57 G H1 H 1 10.53982 0.0 . 1 . . . A 149 G H1 . 25049 3 46 . 1 1 57 57 G N1 N 15 142.53995 0.0 . 1 . . . A 149 G N1 . 25049 3 47 . 1 1 58 58 G H1 H 1 12.56628 0.0 . 1 . . . A 150 G H1 . 25049 3 48 . 1 1 58 58 G N1 N 15 147.83209 0.0 . 1 . . . A 150 G N1 . 25049 3 49 . 1 1 59 59 G H1 H 1 11.14184 0.0 . 1 . . . A 151 G H1 . 25049 3 50 . 1 1 59 59 G N1 N 15 144.44229 0.0 . 1 . . . A 151 G N1 . 25049 3 51 . 1 1 61 61 U H3 H 1 11.69369 0.0 . 1 . . . A 153 U H3 . 25049 3 52 . 1 1 61 61 U N3 N 15 155.09723 0.0 . 1 . . . A 153 U N3 . 25049 3 53 . 1 1 64 64 U H3 H 1 154.54024 0.0 . 1 . . . A 156 U H3 . 25049 3 54 . 1 1 64 64 U N3 N 15 11.26806 0.0 . 1 . . . A 156 U N3 . 25049 3 stop_ save_