data_19662 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the I-V kissing-loop interaction of the Neurospora VS ribozyme ; _BMRB_accession_number 19662 _BMRB_flat_file_name bmr19662.str _Entry_type original _Submission_date 2013-12-05 _Accession_date 2013-12-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouchard Patricia . . 2 Legault Pascale . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 231 "13C chemical shifts" 186 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-01-31 update BMRB 'update entry citation' 2014-01-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights into substrate recognition by the neurospora varkud satellite ribozyme: importance of u-turns at the kissing-loop junction.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24325625 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouchard Patricia . . 2 Legault Pascale . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 53 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 258 _Page_last 269 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'I-V kissing-loop interaction of the Neurospora VS ribozyme' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') _Molecular_mass 7049.290 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; GAGCAGCAUCGUCGGCUGCU CA ; loop_ _Residue_seq_code _Residue_label 1 G 2 A 3 G 4 C 5 A 6 G 7 C 8 A 9 U 10 C 11 G 12 U 13 C 14 G 15 G 16 C 17 U 18 G 19 C 20 U 21 C 22 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') _Molecular_mass 6721.066 _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; GCGGCAGUUGACUACUGUCG C ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 101 G 2 102 C 3 103 G 4 104 G 5 105 C 6 106 A 7 107 G 8 108 U 9 109 U 10 110 G 11 111 A 12 112 C 13 113 U 14 114 A 15 115 C 16 116 U 17 117 G 18 118 U 19 119 C 20 120 G 21 121 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 'Neurospora crassa' 5141 Eukaryota Fungi Neurospora crassa $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 'Neurospora crassa' 5141 Eukaryota Fungi Neurospora crassa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 'enzymatic semisynthesis' . . . . . $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 'enzymatic semisynthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . mM 1.3 2.2 'natural abundance' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . mM 1.3 2.2 [U-15N] TRIS 10 mM . . [U-2H] 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.05 mM . . 'natural abundance' 'magnesium chloride' 5 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.5 mM 'natural abundance' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.5 mM '[U-13C; U-15N]' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.4 mM [U-15N] $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.4 mM 'natural abundance' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.7 mM '[U-13C; U-15N]' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.7 mM 'natural abundance' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.4 mM '[U-13C; U-15N]-Gua' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.4 mM 'natural abundance' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details 'The labeling is actually [U-13C;U-15N]-Gua+Cyt, but is not in the choice' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.4 mM '[U-13C; U-15N]-Gua' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.4 mM 'natural abundance' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.4 mM [U-15N] $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.4 mM 'natural abundance' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.3 mM 'natural abundance' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.3 mM [U-15N] TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.7 mM '[U-13C; U-15N]' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.7 mM 'natural abundance' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') 1.5 mM 'natural abundance' $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') 1.5 mM '[U-13C; U-15N]' TRIS 10 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_11 _Saveframe_category sample _Sample_type 'filamentous virus' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . mM 0.2 0.3 [U-15N] $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . mM 0.2 0.3 [U-15N] TRIS 10 mM . . [U-2H] 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.05 mM . . 'natural abundance' 'magnesium chloride' 5 mM . . 'natural abundance' 'Pf1 phage' 14.6-20.5 mg/mL . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_PyMOL _Saveframe_category software _Name PyMOL _Version . loop_ _Vendor _Address _Electronic_address Schrodinger . . stop_ loop_ _Task 'Structure analysis' 'Structure display' stop_ _Details . save_ save_CCPNMR_suite _Saveframe_category software _Name CCPNMR_suite _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CURVES_+ _Saveframe_category software _Name CURVES_+ _Version . loop_ _Vendor _Address _Electronic_address '(CURVES) Lavery, R., Moakher, M., Maddocks, J.H., Petkeviciute, D. and Zakrzewska, K.' . . stop_ loop_ _Task 'Structure analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_NH2_only_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NH2_only_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_3 save_ save_2D_1H-15N_NHH_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N NHH COSY' _Sample_label $sample_1 save_ save_2D_1H-15N_NHH_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N NHH COSY' _Sample_label $sample_3 save_ save_2D_1H-15N_HMQC_J=21Hz_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC J=21Hz' _Sample_label $sample_7 save_ save_2D_1H-15N_HMQC_J=21Hz_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC J=21Hz' _Sample_label $sample_8 save_ save_2D_1H-15N_CPMG_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CPMG NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_CPMG_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CPMG NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_flip-back_watergate_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H flip-back watergate NOESY' _Sample_label $sample_3 save_ save_3D_15N-edited_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_CT-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_CT-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_CT-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_CT-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label $sample_6 save_ save_3D_15N/13C-edited_NOESY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-edited NOESY-HSQC' _Sample_label $sample_9 save_ save_3D_15N/13C-edited_NOESY-HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-edited NOESY-HSQC' _Sample_label $sample_10 save_ save_3D_13C-edited_HMQC-NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited HMQC-NOESY' _Sample_label $sample_2 save_ save_3D_13C-edited_HMQC-NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited HMQC-NOESY' _Sample_label $sample_4 save_ save_3D_13C-edited_HMQC-NOESY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited HMQC-NOESY' _Sample_label $sample_5 save_ save_3D_13C-edited_HMQC-NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited HMQC-NOESY' _Sample_label $sample_6 save_ save_3D_HCCH-COSY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ save_3D_HCCH-COSY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_6 save_ save_1D_15N-decoupled_1H_watergate_27 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-decoupled 1H watergate' _Sample_label $sample_1 save_ save_1D_15N-decoupled_1H_watergate_28 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-decoupled 1H watergate' _Sample_label $sample_3 save_ save_1D_15N-filtered_1H_watergate_29 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-filtered 1H watergate' _Sample_label $sample_1 save_ save_1D_15N-filtered_1H_watergate_30 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-filtered 1H watergate' _Sample_label $sample_3 save_ save_1D_15N-edited_1H_watergate_31 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-edited 1H watergate' _Sample_label $sample_1 save_ save_1D_15N-edited_1H_watergate_32 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-edited 1H watergate' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_11 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 55 . mM stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 288 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 55 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N HSQC NH2 only' '2D 1H-15N NHH COSY' '2D 1H-15N HMQC J=21Hz' '2D 1H-13C CT-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_7 $sample_8 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 G H1 H 11.923 0.01 1 2 1 1 G H1' H 5.873 0.02 1 3 1 1 G H2' H 4.832 0.02 1 4 1 1 G H3' H 4.643 0.02 1 5 1 1 G H4' H 4.454 0.02 1 6 1 1 G H5' H 3.968 0.02 2 7 1 1 G H5'' H 4.134 0.02 2 8 1 1 G H8 H 8.135 0.02 1 9 1 1 G C1' C 93.042 0.2 1 10 1 1 G C2' C 75.236 0.2 1 11 1 1 G C3' C 73.845 0.2 1 12 1 1 G C4' C 84.509 0.2 1 13 1 1 G C5' C 62.409 0.2 1 14 1 1 G C8 C 138.744 0.2 1 15 1 1 G N1 N 146.668 0.01 1 16 1 1 G N7 N 231.521 0.2 1 17 1 1 G N9 N 169.854 0.2 1 18 2 2 A H1' H 5.988 0.02 1 19 2 2 A H2 H 7.401 0.02 1 20 2 2 A H2' H 4.674 0.02 1 21 2 2 A H3' H 4.768 0.02 1 22 2 2 A H8 H 7.989 0.02 1 23 2 2 A C1' C 92.830 0.2 1 24 2 2 A C2 C 153.317 0.2 1 25 2 2 A C2' C 75.491 0.2 1 26 2 2 A C3' C 72.552 0.2 1 27 2 2 A C8 C 139.755 0.2 1 28 2 2 A N1 N 220.820 0.2 1 29 2 2 A N3 N 212.380 0.2 1 30 2 2 A N7 N 228.170 0.2 1 31 2 2 A N9 N 170.790 0.2 1 32 3 3 G H1 H 13.311 0.01 1 33 3 3 G H1' H 5.659 0.02 1 34 3 3 G H2' H 4.366 0.02 1 35 3 3 G H3' H 4.478 0.02 1 36 3 3 G H8 H 7.304 0.02 1 37 3 3 G C1' C 92.507 0.2 1 38 3 3 G C2' C 75.221 0.2 1 39 3 3 G C3' C 72.492 0.2 1 40 3 3 G C8 C 135.659 0.2 1 41 3 3 G N1 N 147.990 0.1 1 42 3 3 G N7 N 233.358 0.2 1 43 3 3 G N9 N 169.651 0.2 1 44 4 4 C H1' H 5.469 0.02 1 45 4 4 C H2' H 4.495 0.02 1 46 4 4 C H5 H 5.175 0.02 1 47 4 4 C H6 H 7.620 0.02 1 48 4 4 C H41 H 6.651 0.01 1 49 4 4 C H42 H 8.321 0.01 1 50 4 4 C C1' C 93.329 0.2 1 51 4 4 C C2' C 75.411 0.2 1 52 4 4 C C5 C 97.393 0.2 1 53 4 4 C C6 C 140.395 0.2 1 54 4 4 C N3 N 196.862 0.5 1 55 4 4 C N4 N 98.428 0.06 1 56 5 5 A H1' H 5.916 0.02 1 57 5 5 A H2 H 6.988 0.02 1 58 5 5 A H2' H 4.708 0.02 1 59 5 5 A H3' H 4.678 0.02 1 60 5 5 A H8 H 7.971 0.02 1 61 5 5 A C1' C 92.924 0.2 1 62 5 5 A C2 C 152.376 0.2 1 63 5 5 A C2' C 75.562 0.2 1 64 5 5 A C3' C 72.781 0.2 1 65 5 5 A C8 C 139.213 0.2 1 66 5 5 A N1 N 220.150 0.2 1 67 5 5 A N3 N 213.866 0.2 1 68 5 5 A N7 N 230.305 0.2 1 69 5 5 A N9 N 170.792 0.2 1 70 6 6 G H1 H 13.394 0.01 1 71 6 6 G H1' H 5.529 0.02 1 72 6 6 G H2' H 4.356 0.02 1 73 6 6 G H3' H 4.372 0.02 1 74 6 6 G H8 H 7.115 0.02 1 75 6 6 G C1' C 92.656 0.2 1 76 6 6 G C2' C 75.290 0.2 1 77 6 6 G C3' C 72.599 0.2 1 78 6 6 G C8 C 135.482 0.2 1 79 6 6 G N1 N 148.023 0.1 1 80 6 6 G N7 N 233.352 0.2 1 81 6 6 G N9 N 169.079 0.2 1 82 7 7 C H1' H 5.389 0.02 1 83 7 7 C H2' H 4.316 0.02 1 84 7 7 C H3' H 4.419 0.02 1 85 7 7 C H5 H 4.780 0.02 1 86 7 7 C H6 H 7.163 0.02 1 87 7 7 C H41 H 7.795 0.01 1 88 7 7 C H42 H 6.448 0.01 1 89 7 7 C C1' C 94.423 0.2 1 90 7 7 C C2' C 75.412 0.2 1 91 7 7 C C3' C 71.966 0.2 1 92 7 7 C C5 C 96.810 0.2 1 93 7 7 C C6 C 139.949 0.2 1 94 7 7 C N4 N 98.472 0.06 1 95 8 8 A H1' H 6.039 0.02 1 96 8 8 A H2 H 8.227 0.02 1 97 8 8 A H2' H 3.954 0.02 1 98 8 8 A H3' H 4.876 0.02 1 99 8 8 A H8 H 8.402 0.02 1 100 8 8 A C1' C 91.955 0.2 1 101 8 8 A C2 C 155.997 0.2 1 102 8 8 A C2' C 76.963 0.2 1 103 8 8 A C3' C 72.180 0.2 1 104 8 8 A C8 C 139.934 0.2 1 105 9 9 U H1' H 5.729 0.02 1 106 9 9 U H2' H 4.656 0.02 1 107 9 9 U H5 H 5.109 0.02 1 108 9 9 U H6 H 7.249 0.02 1 109 9 9 U C1' C 93.675 0.2 1 110 9 9 U C2' C 74.646 0.2 1 111 9 9 U C5 C 102.073 0.2 1 112 9 9 U C6 C 142.497 0.2 1 113 10 10 C H1' H 5.497 0.02 1 114 10 10 C H2' H 4.820 0.02 1 115 10 10 C H5 H 5.984 0.02 1 116 10 10 C H6 H 7.937 0.02 1 117 10 10 C H42 H 7.244 0.01 1 118 10 10 C C1' C 94.432 0.2 1 119 10 10 C C2' C 75.651 0.2 1 120 10 10 C C5 C 98.681 0.2 1 121 10 10 C C6 C 142.114 0.2 1 122 10 10 C N4 N 95.777 0.06 1 123 11 11 G H1 H 12.941 0.01 1 124 11 11 G H1' H 5.913 0.02 1 125 11 11 G H2' H 4.580 0.02 1 126 11 11 G H3' H 4.896 0.02 1 127 11 11 G H8 H 7.433 0.02 1 128 11 11 G C1' C 92.697 0.2 1 129 11 11 G C2' C 75.210 0.2 1 130 11 11 G C3' C 72.217 0.2 1 131 11 11 G C8 C 136.681 0.2 1 132 11 11 G N1 N 148.777 0.1 1 133 11 11 G N7 N 228.298 0.2 1 134 11 11 G N9 N 169.222 0.2 1 135 12 12 U H1' H 5.527 0.07 1 136 12 12 U H3 H 14.173 0.01 1 137 12 12 U H5 H 5.487 0.02 1 138 12 12 U H6 H 7.978 0.02 1 139 12 12 U C5 C 103.645 0.2 1 140 12 12 U C6 C 142.293 0.2 1 141 12 12 U N3 N 163.313 0.01 1 142 13 13 C H1' H 5.634 0.02 1 143 13 13 C H2' H 4.708 0.02 1 144 13 13 C H5 H 5.422 0.02 1 145 13 13 C H6 H 7.861 0.02 1 146 13 13 C H41 H 6.400 0.01 1 147 13 13 C H42 H 8.134 0.01 1 148 13 13 C C1' C 93.281 0.2 1 149 13 13 C C2' C 75.477 0.2 1 150 13 13 C C5 C 97.917 0.2 1 151 13 13 C C6 C 141.645 0.2 1 152 13 13 C N4 N 98.758 0.06 1 153 14 14 G H1' H 5.528 0.02 1 154 14 14 G H2' H 4.500 0.02 1 155 14 14 G H8 H 7.570 0.02 1 156 14 14 G C1' C 92.481 0.2 1 157 14 14 G C2' C 75.264 0.2 1 158 14 14 G C8 C 136.020 0.2 1 159 15 15 G H1' H 5.233 0.02 1 160 15 15 G H2' H 4.395 0.02 1 161 15 15 G H8 H 7.155 0.02 1 162 15 15 G C1' C 93.564 0.2 1 163 15 15 G C2' C 74.624 0.2 1 164 15 15 G C8 C 135.766 0.2 1 165 16 16 C H1' H 5.524 0.02 1 166 16 16 C H2' H 4.258 0.02 1 167 16 16 C H5 H 5.231 0.02 1 168 16 16 C H6 H 7.831 0.02 1 169 16 16 C H41 H 6.808 0.01 1 170 16 16 C H42 H 8.449 0.01 1 171 16 16 C C1' C 94.082 0.2 1 172 16 16 C C2' C 75.345 0.2 1 173 16 16 C C5 C 96.619 0.2 1 174 16 16 C C6 C 141.478 0.2 1 175 16 16 C N3 N 196.771 0.5 1 176 16 16 C N4 N 98.877 0.06 1 177 17 17 U H1' H 5.506 0.02 1 178 17 17 U H2' H 4.565 0.02 1 179 17 17 U H3 H 13.553 0.01 1 180 17 17 U H5 H 5.412 0.02 1 181 17 17 U H6 H 7.919 0.02 1 182 17 17 U C1' C 93.497 0.2 1 183 17 17 U C2' C 75.080 0.2 1 184 17 17 U C5 C 103.441 0.2 1 185 17 17 U N3 N 161.974 0.1 1 186 18 18 G H1 H 12.429 0.01 1 187 18 18 G H1' H 5.790 0.02 1 188 18 18 G H2' H 4.451 0.02 1 189 18 18 G H3' H 4.639 0.02 1 190 18 18 G H8 H 7.744 0.02 1 191 18 18 G C1' C 92.662 0.2 1 192 18 18 G C2' C 75.353 0.2 1 193 18 18 G C3' C 72.681 0.2 1 194 18 18 G C8 C 136.277 0.2 1 195 18 18 G N1 N 147.298 0.1 1 196 18 18 G N7 N 233.431 0.2 1 197 18 18 G N9 N 169.841 0.2 1 198 19 19 C H1' H 5.448 0.02 1 199 19 19 C H2' H 4.312 0.02 1 200 19 19 C H5 H 5.187 0.02 1 201 19 19 C H6 H 7.783 0.02 1 202 19 19 C H41 H 6.655 0.01 1 203 19 19 C H42 H 8.484 0.01 1 204 19 19 C C1' C 93.820 0.2 1 205 19 19 C C2' C 75.490 0.2 1 206 19 19 C C5 C 96.791 0.2 1 207 19 19 C C6 C 141.230 0.2 1 208 19 19 C N3 N 196.922 0.5 1 209 19 19 C N4 N 99.382 0.06 1 210 20 20 U H1' H 5.502 0.02 1 211 20 20 U H2' H 4.480 0.02 1 212 20 20 U H3 H 14.144 0.02 1 213 20 20 U H5 H 5.378 0.02 1 214 20 20 U H6 H 7.917 0.02 1 215 20 20 U C1' C 93.387 0.2 1 216 20 20 U C2' C 75.227 0.2 1 217 20 20 U C5 C 103.051 0.2 1 218 20 20 U C6 C 141.628 0.2 1 219 20 20 U N3 N 162.429 0.1 1 220 21 21 C H1' H 5.524 0.02 1 221 21 21 C H2' H 4.364 0.02 1 222 21 21 C H3' H 4.468 0.02 1 223 21 21 C H5 H 5.576 0.02 1 224 21 21 C H6 H 7.744 0.02 1 225 21 21 C H41 H 6.847 0.01 1 226 21 21 C H42 H 8.098 0.01 1 227 21 21 C C1' C 93.834 0.2 1 228 21 21 C C2' C 75.504 0.2 1 229 21 21 C C3' C 72.419 0.2 1 230 21 21 C C5 C 97.673 0.2 1 231 21 21 C C6 C 140.988 0.2 1 232 21 21 C N3 N 196.304 0.5 1 233 21 21 C N4 N 97.595 0.06 1 234 22 22 A H1' H 5.906 0.02 1 235 22 22 A H2 H 7.295 0.02 1 236 22 22 A H2' H 4.029 0.02 1 237 22 22 A H3' H 4.282 0.02 1 238 22 22 A H4' H 4.226 0.02 1 239 22 22 A H8 H 8.022 0.02 1 240 22 22 A C1' C 91.806 0.2 1 241 22 22 A C2 C 154.329 0.2 1 242 22 22 A C2' C 77.839 0.2 1 243 22 22 A C3' C 70.178 0.2 1 244 22 22 A C4' C 83.908 0.2 1 245 22 22 A C8 C 140.086 0.2 1 246 22 22 A N1 N 225.354 0.2 1 247 22 22 A N3 N 215.577 0.2 1 248 22 22 A N7 N 230.811 0.2 1 249 22 22 A N9 N 171.166 0.2 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N HSQC NH2 only' '2D 1H-15N NHH COSY' '2D 1H-15N HMQC J=21Hz' '2D 1H-13C CT-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_7 $sample_8 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 101 1 G H1' H 5.605 0.01 1 2 101 1 G H2' H 4.476 0.01 1 3 101 1 G H4' H 4.182 0.01 1 4 101 1 G H8 H 7.897 0.01 1 5 101 1 G C1' C 93.188 0.2 1 6 101 1 G C2' C 73.525 0.2 1 7 101 1 G C4' C 84.385 0.2 1 8 101 1 G C8 C 138.611 0.2 1 9 102 2 C H1' H 5.617 0.01 1 10 102 2 C H2' H 4.629 0.01 1 11 102 2 C H5 H 5.185 0.01 1 12 102 2 C H6 H 7.882 0.01 1 13 102 2 C H41 H 6.531 0.01 1 14 102 2 C H42 H 8.494 0.01 1 15 102 2 C C1' C 93.722 0.2 1 16 102 2 C C2' C 75.070 0.2 1 17 102 2 C C5 C 97.131 0.2 1 18 102 2 C C6 C 141.283 0.2 1 19 102 2 C N3 N 197.033 0.5 1 20 102 2 C N4 N 97.922 0.06 1 21 103 3 G H1 H 12.486 0.01 1 22 103 3 G H1' H 5.806 0.01 1 23 103 3 G H2' H 4.559 0.01 1 24 103 3 G H3' H 4.624 0.01 1 25 103 3 G H8 H 7.598 0.01 1 26 103 3 G C1' C 92.376 0.2 1 27 103 3 G C2' C 75.794 0.2 1 28 103 3 G C3' C 73.048 0.2 1 29 103 3 G C8 C 136.138 0.2 1 30 103 3 G N1 N 147.294 0.1 1 31 104 4 G H1 H 11.246 0.01 1 32 104 4 G H1' H 5.766 0.01 1 33 104 4 G H2' H 4.603 0.01 1 34 104 4 G H3' H 4.365 0.01 1 35 104 4 G H8 H 7.210 0.01 1 36 104 4 G C1' C 93.274 0.2 1 37 104 4 G C2' C 75.413 0.2 1 38 104 4 G C3' C 72.849 0.2 1 39 104 4 G C8 C 136.609 0.2 1 40 104 4 G N1 N 145.001 0.1 1 41 105 5 C H1' H 5.462 0.01 1 42 105 5 C H2' H 4.465 0.01 1 43 105 5 C H5 H 5.328 0.01 1 44 105 5 C H6 H 7.652 0.01 1 45 105 5 C H41 H 6.736 0.01 1 46 105 5 C H42 H 8.213 0.01 1 47 105 5 C C1' C 93.599 0.2 1 48 105 5 C C2' C 75.280 0.2 1 49 105 5 C C5 C 97.590 0.2 1 50 105 5 C C6 C 140.185 0.2 1 51 105 5 C N3 N 196.498 0.5 1 52 105 5 C N4 N 98.924 0.06 1 53 106 6 A H1' H 5.947 0.01 1 54 106 6 A H2 H 7.057 0.01 1 55 106 6 A H2' H 4.750 0.01 1 56 106 6 A H8 H 7.977 0.01 1 57 106 6 A C1' C 92.742 0.2 1 58 106 6 A C2 C 152.607 0.2 1 59 106 6 A C2' C 75.557 0.2 1 60 106 6 A C8 C 139.296 0.2 1 61 106 6 A N1 N 219.701 0.2 1 62 106 6 A N3 N 214.366 0.2 1 63 107 7 G H1 H 13.822 0.01 1 64 107 7 G H1' H 5.562 0.01 1 65 107 7 G H2' H 4.395 0.01 1 66 107 7 G H8 H 7.164 0.01 1 67 107 7 G C1' C 92.534 0.2 1 68 107 7 G C2' C 75.186 0.2 1 69 107 7 G C8 C 135.606 0.2 1 70 107 7 G N1 N 148.332 0.1 1 71 108 8 U H1' H 5.572 0.01 1 72 108 8 U H2' H 4.114 0.01 1 73 108 8 U H3' H 4.363 0.01 1 74 108 8 U H4' H 4.351 0.01 1 75 108 8 U H5 H 4.819 0.01 1 76 108 8 U H6 H 7.600 0.01 1 77 108 8 U C1' C 93.795 0.2 1 78 108 8 U C2' C 76.554 0.2 1 79 108 8 U C3' C 72.351 0.2 1 80 108 8 U C4' C 82.786 0.2 1 81 108 8 U C5 C 101.811 0.4 1 82 108 8 U C6 C 141.420 0.2 1 83 109 9 U H1' H 5.509 0.01 1 84 109 9 U H2' H 4.687 0.01 1 85 109 9 U H5 H 5.950 0.01 1 86 109 9 U H6 H 8.015 0.01 1 87 109 9 U C1' C 93.924 0.2 1 88 109 9 U C2' C 74.839 0.2 1 89 109 9 U C5 C 103.725 0.2 1 90 109 9 U C6 C 143.231 0.2 1 91 110 10 G H1 H 12.229 0.01 1 92 110 10 G H1' H 5.763 0.01 1 93 110 10 G H2' H 4.991 0.01 1 94 110 10 G H3' H 4.754 0.01 1 95 110 10 G H4' H 4.497 0.01 1 96 110 10 G H8 H 8.059 0.01 1 97 110 10 G C1' C 94.255 0.2 1 98 110 10 G C2' C 75.058 0.2 1 99 110 10 G C3' C 72.078 0.2 1 100 110 10 G C4' C 83.565 0.2 1 101 110 10 G C8 C 139.882 0.2 1 102 110 10 G N1 N 146.500 0.1 1 103 111 11 A H1' H 6.030 0.01 1 104 111 11 A H2 H 7.730 0.01 1 105 111 11 A H2' H 4.613 0.01 1 106 111 11 A H3' H 4.935 0.01 1 107 111 11 A H4' H 4.462 0.01 1 108 111 11 A H8 H 7.578 0.01 1 109 111 11 A C1' C 93.239 0.2 1 110 111 11 A C2 C 153.437 0.2 1 111 111 11 A C2' C 75.801 0.2 1 112 111 11 A C3' C 71.907 0.2 1 113 111 11 A C4' C 82.407 0.2 1 114 111 11 A C8 C 140.669 0.2 1 115 111 11 A N1 N 223.773 0.2 1 116 111 11 A N3 N 212.377 0.2 1 117 111 11 A N7 N 221.528 0.2 1 118 112 12 C H1' H 5.254 0.01 1 119 112 12 C H2' H 4.456 0.01 1 120 112 12 C H3' H 4.599 0.01 1 121 112 12 C H4' H 4.403 0.01 1 122 112 12 C H5 H 4.901 0.01 1 123 112 12 C H6 H 6.951 0.01 1 124 112 12 C H41 H 6.354 0.01 1 125 112 12 C H42 H 8.206 0.01 1 126 112 12 C C1' C 94.758 0.2 1 127 112 12 C C2' C 75.550 0.2 1 128 112 12 C C3' C 74.265 0.2 1 129 112 12 C C4' C 82.016 0.2 1 130 112 12 C C5 C 98.355 0.2 1 131 112 12 C C6 C 140.278 0.2 1 132 112 12 C N4 N 97.264 0.06 1 133 113 13 U H1' H 6.265 0.01 1 134 113 13 U H2' H 4.771 0.01 1 135 113 13 U H3' H 5.180 0.01 1 136 113 13 U H4' H 4.612 0.01 1 137 113 13 U H5 H 6.021 0.01 1 138 113 13 U H5' H 4.235 0.01 2 139 113 13 U H5'' H 4.344 0.01 2 140 113 13 U H6 H 8.067 0.01 1 141 113 13 U C1' C 89.171 0.2 1 142 113 13 U C2' C 75.192 0.2 1 143 113 13 U C3' C 78.566 0.2 1 144 113 13 U C4' C 87.048 0.2 1 145 113 13 U C5 C 105.576 0.2 1 146 113 13 U C5' C 67.834 0.2 1 147 113 13 U C6 C 144.815 0.2 1 148 114 14 A H1' H 5.409 0.01 1 149 114 14 A H2 H 7.621 0.01 1 150 114 14 A H2' H 4.929 0.01 1 151 114 14 A H4' H 4.601 0.01 1 152 114 14 A H8 H 8.368 0.01 1 153 114 14 A C1' C 95.324 0.2 1 154 114 14 A C2 C 153.508 0.2 1 155 114 14 A C2' C 73.265 0.2 1 156 114 14 A C4' C 84.396 0.2 1 157 114 14 A C8 C 142.060 0.2 1 158 114 14 A N1 N 225.734 0.2 1 159 114 14 A N3 N 217.878 0.2 1 160 114 14 A N7 N 233.530 0.2 1 161 115 15 C H1' H 5.284 0.01 1 162 115 15 C H2' H 4.109 0.01 1 163 115 15 C H3' H 4.440 0.01 1 164 115 15 C H4' H 3.805 0.01 1 165 115 15 C H5 H 5.188 0.01 1 166 115 15 C H6 H 7.782 0.01 1 167 115 15 C H41 H 6.941 0.01 1 168 115 15 C H42 H 8.129 0.01 1 169 115 15 C C1' C 94.277 0.2 1 170 115 15 C C2' C 75.219 0.2 1 171 115 15 C C3' C 72.026 0.2 1 172 115 15 C C4' C 81.604 0.2 1 173 115 15 C C5 C 96.813 0.2 1 174 115 15 C C6 C 141.691 0.2 1 175 115 15 C N3 N 197.247 0.5 1 176 115 15 C N4 N 98.021 0.06 1 177 116 16 U H1' H 5.523 0.01 1 178 116 16 U H2' H 4.631 0.01 1 179 116 16 U H3 H 13.356 0.01 1 180 116 16 U H5 H 5.374 0.01 1 181 116 16 U H6 H 7.865 0.01 1 182 116 16 U C1' C 93.240 0.2 1 183 116 16 U C2' C 74.973 0.2 1 184 116 16 U C5 C 103.213 0.2 1 185 116 16 U C6 C 141.615 0.2 1 186 116 16 U N3 N 161.490 0.1 1 187 117 17 G H1 H 12.522 0.01 1 188 117 17 G H1' H 5.809 0.01 1 189 117 17 G H2' H 4.632 0.01 1 190 117 17 G H8 H 7.608 0.01 1 191 117 17 G C1' C 92.894 0.2 1 192 117 17 G C2' C 75.268 0.2 1 193 117 17 G C8 C 136.205 0.2 1 194 117 17 G N1 N 147.211 0.1 1 195 118 18 U H1' H 5.422 0.01 1 196 118 18 U H2' H 4.082 0.01 1 197 118 18 U H3 H 11.954 0.01 1 198 118 18 U H5 H 5.468 0.01 1 199 118 18 U H6 H 7.809 0.01 1 200 118 18 U C1' C 93.624 0.2 1 201 118 18 U C2' C 75.635 0.2 1 202 118 18 U C5 C 103.802 0.2 1 203 118 18 U C6 C 140.847 0.2 1 204 118 18 U N3 N 158.869 0.1 1 205 119 19 C H1' H 5.594 0.01 1 206 119 19 C H5 H 5.611 0.01 1 207 119 19 C H6 H 7.959 0.01 1 208 119 19 C H41 H 6.576 0.01 1 209 119 19 C H42 H 8.390 0.01 1 210 119 19 C C1' C 93.389 0.2 1 211 119 19 C C5 C 97.789 0.2 1 212 119 19 C C6 C 142.013 0.2 1 213 119 19 C N3 N 196.232 0.5 1 214 119 19 C N4 N 98.315 0.06 1 215 120 20 G H1 H 13.007 0.01 1 216 120 20 G H1' H 5.688 0.01 1 217 120 20 G H2' H 4.470 0.01 1 218 120 20 G H8 H 7.574 0.01 1 219 120 20 G C1' C 93.173 0.2 1 220 120 20 G C2' C 75.383 0.2 1 221 120 20 G C8 C 136.032 0.2 1 222 120 20 G N1 N 147.614 0.1 1 223 121 21 C H1' H 5.663 0.01 1 224 121 21 C H2' H 4.028 0.01 1 225 121 21 C H3' H 4.107 0.01 1 226 121 21 C H5 H 5.261 0.01 1 227 121 21 C H6 H 7.525 0.01 1 228 121 21 C H41 H 6.722 0.01 1 229 121 21 C H42 H 8.160 0.01 1 230 121 21 C C1' C 93.036 0.2 1 231 121 21 C C2' C 77.384 0.2 1 232 121 21 C C3' C 69.341 0.2 1 233 121 21 C C5 C 97.400 0.2 1 234 121 21 C C6 C 141.057 0.2 1 235 121 21 C N4 N 97.539 0.06 1 stop_ save_