data_25604 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a double base-pair inversion mutant of murine tumour necrosis factor alpha CDE-23 RNA ; _BMRB_accession_number 25604 _BMRB_flat_file_name bmr25604.str _Entry_type original _Submission_date 2015-05-11 _Accession_date 2015-05-11 _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 Codutti Luca . . 2 Leppek Katrin . . 3 Zalesak Jan . . 4 Windeisen Volker . . 5 Masiewicz Pawel . . 6 Stoecklin Georg . . 7 Carlomagno Teresa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 180 "13C chemical shifts" 151 "31P chemical shifts" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-24 update BMRB 'update entry citation' 2015-08-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25603 'murine tumour necrosis factor alpha CDE RNA' stop_ _Original_release_date 2015-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Distinct, Sequence-Induced Conformation Is Required for Recognition of the Constitutive Decay Element RNA by Roquin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26165594 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Codutti Luca . . 2 Leppek Katrin . . 3 Zalesak Jan . . 4 Windeisen Volker . . 5 Masiewicz Pawel . . 6 Stoecklin Georg . . 7 Carlomagno Teresa . . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1437 _Page_last 1447 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'double base-pair inversion mutant of murine tumour necrosis factor alpha CDE-23 RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3')" $RNA_(5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-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(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3') _Molecular_mass 7343.398 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; GCAUGUUUAGUGUCUAAACG GUU ; loop_ _Residue_seq_code _Residue_label 1 G 2 C 3 A 4 U 5 G 6 U 7 U 8 U 9 A 10 G 11 U 12 G 13 U 14 C 15 U 16 A 17 A 18 A 19 C 20 G 21 G 22 U 23 U 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(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3') . . . . . . 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(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-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 _Isotopic_labeling $RNA_(5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3') 0.35 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 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(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3') 0.35 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 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(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3') 0.35 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'Pf1 phage' 30 mg/mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2.3 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_immino-1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'immino-1H-1H NOESY' _Sample_label $sample_2 save_ save_3D-HCCH-COSY-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-COSY-TOCSY _Sample_label $sample_1 save_ save_3D_HsCNb/HbCNb_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HsCNb/HbCNb' _Sample_label $sample_1 save_ save_2D_HNN-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNN-COSY' _Sample_label $sample_2 save_ save_3D_13C-edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label $sample_1 save_ save_2D_COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _Sample_label $sample_1 save_ save_1H-31P_HET-COR(P,H-COSY-H,C-HMQC)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-31P HET-COR(P,H-COSY-H,C-HMQC)' _Sample_label $sample_1 save_ save_T1-13C-EDIT_relaxation_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1-13C-EDIT relaxation' _Sample_label $sample_1 save_ save_T1rho-13C-EDIT_relaxation_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1rho-13C-EDIT relaxation' _Sample_label $sample_1 save_ save_13C-base_edited_IPAP_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-base edited IPAP' _Sample_label $sample_3 save_ save_13C-sugar_edited_IPAP_13 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-sugar edited IPAP' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 5 mM pH 6.5 0.1 pH pressure 1 . atm temperature 300 0.05 K 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 C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.404808636 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' 'immino-1H-1H NOESY' 3D-HCCH-COSY-TOCSY '2D HNN-COSY' '2D COSY' '1H-31P HET-COR(P,H-COSY-H,C-HMQC)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-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 5.858 0.005 1 2 1 1 G H2' H 4.878 0.005 1 3 1 1 G H3' H 4.715 0.004 1 4 1 1 G H4' H 4.576 0.004 1 5 1 1 G H5' H 4.270 0.003 2 6 1 1 G H5'' H 4.447 0.002 2 7 1 1 G H8 H 8.180 0.002 1 8 1 1 G C1' C 91.476 0.025 1 9 1 1 G C2' C 75.372 0.041 1 10 1 1 G C3' C 75.347 0.001 1 11 1 1 G C4' C 84.240 0.038 1 12 1 1 G C5' C 67.080 0.053 1 13 1 1 G C8 C 139.716 0.031 1 14 2 2 C H1' H 5.800 0.002 1 15 2 2 C H2' H 4.421 0.007 1 16 2 2 C H3' H 4.654 0.005 1 17 2 2 C H4' H 4.478 0.007 1 18 2 2 C H5 H 5.669 0.001 1 19 2 2 C H5' H 4.212 0.003 2 20 2 2 C H5'' H 4.446 0.000 2 21 2 2 C H6 H 7.764 0.003 1 22 2 2 C C1' C 92.998 0.017 1 23 2 2 C C2' C 75.872 0.020 1 24 2 2 C C3' C 74.460 0.052 1 25 2 2 C C4' C 83.446 0.043 1 26 2 2 C C5 C 98.171 0.012 1 27 2 2 C C5' C 66.063 0.066 1 28 2 2 C C6 C 142.159 0.019 1 29 2 2 C P P -3.833 0.000 1 30 3 3 A H1' H 6.031 0.004 1 31 3 3 A H2 H 7.821 0.006 1 32 3 3 A H2' H 4.695 0.003 1 33 3 3 A H3' H 4.565 0.003 1 34 3 3 A H4' H 4.556 0.008 1 35 3 3 A H5' H 4.427 0.001 2 36 3 3 A H5'' H 4.213 0.003 2 37 3 3 A H8 H 8.251 0.005 1 38 3 3 A C1' C 91.280 0.032 1 39 3 3 A C2 C 154.866 0.000 1 40 3 3 A C2' C 76.054 0.011 1 41 3 3 A C3' C 75.392 0.065 1 42 3 3 A C4' C 84.176 0.036 1 43 3 3 A C5' C 66.703 0.039 1 44 3 3 A C8 C 140.885 0.019 1 45 3 3 A P P -3.858 0.000 1 46 4 4 U H1' H 5.798 0.007 1 47 4 4 U H2' H 4.379 0.005 1 48 4 4 U H3' H 4.660 0.004 1 49 4 4 U H4' H 4.527 0.002 1 50 4 4 U H5 H 5.604 0.002 1 51 4 4 U H5' H 4.209 0.004 2 52 4 4 U H5'' H 4.418 0.000 2 53 4 4 U H6 H 7.750 0.005 1 54 4 4 U C1' C 91.369 0.025 1 55 4 4 U C2' C 75.831 0.022 1 56 4 4 U C3' C 75.761 0.004 1 57 4 4 U C4' C 84.282 0.019 1 58 4 4 U C5 C 104.763 0.008 1 59 4 4 U C5' C 66.776 0.000 1 60 4 4 U C6 C 142.621 0.012 1 61 4 4 U P P -3.924 0.000 1 62 5 5 G H1 H 12.831 0.005 1 63 5 5 G H1' H 5.781 0.004 1 64 5 5 G H2' H 4.587 0.001 1 65 5 5 G H3' H 4.773 0.001 1 66 5 5 G H4' H 4.594 0.002 1 67 5 5 G H5' H 4.408 0.016 2 68 5 5 G H5'' H 4.262 0.003 2 69 5 5 G H8 H 8.014 0.002 1 70 5 5 G C1' C 92.147 0.075 1 71 5 5 G C2' C 74.763 0.057 1 72 5 5 G C3' C 76.441 0.001 1 73 5 5 G C4' C 83.488 0.071 1 74 5 5 G C5' C 67.459 0.009 1 75 5 5 G C8 C 138.198 0.021 1 76 5 5 G P P -3.569 0.000 1 77 6 6 U H1' H 5.665 0.004 1 78 6 6 U H2' H 4.625 0.002 1 79 6 6 U H3 H 14.077 0.010 1 80 6 6 U H3' H 4.547 0.016 1 81 6 6 U H4' H 4.518 0.002 1 82 6 6 U H5 H 5.180 0.002 1 83 6 6 U H5'' H 4.249 0.012 1 84 6 6 U H6 H 7.890 0.006 1 85 6 6 U C1' C 94.146 0.022 1 86 6 6 U C2' C 75.289 0.075 1 87 6 6 U C3' C 72.532 0.057 1 88 6 6 U C4' C 82.473 0.015 1 89 6 6 U C5 C 102.655 0.013 1 90 6 6 U C5' C 65.264 0.000 1 91 6 6 U C6 C 142.580 0.023 1 92 6 6 U P P -3.665 0.000 1 93 7 7 U H1' H 5.670 0.004 1 94 7 7 U H2' H 4.483 0.007 1 95 7 7 U H3 H 13.667 0.003 1 96 7 7 U H3' H 4.542 0.004 1 97 7 7 U H4' H 4.526 0.009 1 98 7 7 U H5 H 5.650 0.007 1 99 7 7 U H5'' H 4.176 0.004 1 100 7 7 U H6 H 8.023 0.007 1 101 7 7 U C1' C 93.977 0.018 1 102 7 7 U C2' C 75.293 0.050 1 103 7 7 U C3' C 72.583 0.018 1 104 7 7 U C4' C 82.327 0.033 1 105 7 7 U C5 C 103.600 0.039 1 106 7 7 U C5' C 64.884 0.048 1 107 7 7 U C6 C 142.296 0.014 1 108 7 7 U P P -3.899 0.000 1 109 8 8 U H1' H 5.587 0.002 1 110 8 8 U H2' H 4.448 0.010 1 111 8 8 U H3 H 13.681 0.000 1 112 8 8 U H3' H 4.654 0.006 1 113 8 8 U H4' H 4.485 0.006 1 114 8 8 U H5 H 5.639 0.007 1 115 8 8 U H5' H 4.210 0.000 2 116 8 8 U H5'' H 4.183 0.006 2 117 8 8 U H6 H 7.930 0.005 1 118 8 8 U C1' C 93.533 0.038 1 119 8 8 U C2' C 75.303 0.018 1 120 8 8 U C3' C 72.433 0.018 1 121 8 8 U C4' C 82.114 0.013 1 122 8 8 U C5 C 103.887 0.003 1 123 8 8 U C6 C 143.229 0.013 1 124 8 8 U P P -4.155 0.000 1 125 9 9 A H1' H 5.911 0.002 1 126 9 9 A H2 H 6.897 0.001 1 127 9 9 A H2' H 4.421 0.002 1 128 9 9 A H3' H 4.736 0.011 1 129 9 9 A H4' H 4.475 0.004 1 130 9 9 A H5' H 4.579 0.000 2 131 9 9 A H5'' H 4.187 0.003 2 132 9 9 A H8 H 8.063 0.002 1 133 9 9 A C1' C 92.849 0.054 1 134 9 9 A C2 C 152.888 0.008 1 135 9 9 A C2' C 75.714 0.047 1 136 9 9 A C3' C 72.661 0.018 1 137 9 9 A C4' C 82.065 0.035 1 138 9 9 A C8 C 139.669 0.002 1 139 9 9 A P P -3.879 0.000 1 140 10 10 G H1 H 12.908 0.003 1 141 10 10 G H1' H 5.545 0.008 1 142 10 10 G H2' H 4.257 0.002 1 143 10 10 G H3' H 4.514 0.006 1 144 10 10 G H4' H 4.394 0.006 1 145 10 10 G H5' H 4.394 0.008 2 146 10 10 G H5'' H 4.074 0.010 2 147 10 10 G H8 H 7.260 0.003 1 148 10 10 G C1' C 91.203 0.028 1 149 10 10 G C2' C 76.490 0.045 1 150 10 10 G C3' C 74.837 0.045 1 151 10 10 G C5' C 65.973 0.042 1 152 10 10 G C8 C 136.499 0.034 1 153 10 10 G P P -3.762 0.000 1 154 11 11 U H1' H 5.584 0.003 1 155 11 11 U H2' H 4.274 0.010 1 156 11 11 U H3' H 4.375 0.007 1 157 11 11 U H4' H 4.277 0.012 1 158 11 11 U H5 H 5.603 0.002 1 159 11 11 U H5' H 3.918 0.006 2 160 11 11 U H5'' H 4.044 0.005 2 161 11 11 U H6 H 7.600 0.003 1 162 11 11 U C1' C 91.400 0.024 1 163 11 11 U C2' C 75.629 0.060 1 164 11 11 U C3' C 76.077 0.057 1 165 11 11 U C4' C 84.720 0.055 1 166 11 11 U C5 C 104.757 0.011 1 167 11 11 U C5' C 67.268 0.025 1 168 11 11 U C6 C 142.745 0.043 1 169 11 11 U P P -3.896 0.000 1 170 12 12 G H1' H 5.567 0.002 1 171 12 12 G H2' H 4.579 0.002 1 172 12 12 G H3' H 4.693 0.004 1 173 12 12 G H4' H 4.342 0.003 1 174 12 12 G H5' H 4.089 0.006 2 175 12 12 G H5'' H 4.063 0.011 2 176 12 12 G H8 H 7.728 0.003 1 177 12 12 G C1' C 89.785 0.010 1 178 12 12 G C2' C 76.214 0.045 1 179 12 12 G C3' C 77.687 0.058 1 180 12 12 G C4' C 85.754 0.022 1 181 12 12 G C5' C 67.886 0.070 1 182 12 12 G C8 C 140.001 0.018 1 183 12 12 G P P -3.629 0.025 1 184 13 13 U H1' H 5.954 0.002 1 185 13 13 U H2' H 4.361 0.004 1 186 13 13 U H3' H 4.736 0.006 1 187 13 13 U H4' H 4.519 0.003 1 188 13 13 U H5 H 5.838 0.005 1 189 13 13 U H5' H 4.071 0.016 2 190 13 13 U H5'' H 4.099 0.016 2 191 13 13 U H6 H 7.766 0.002 1 192 13 13 U C1' C 89.999 0.010 1 193 13 13 U C2' C 75.818 0.022 1 194 13 13 U C3' C 77.832 0.043 1 195 13 13 U C4' C 85.263 0.048 1 196 13 13 U C5 C 105.707 0.014 1 197 13 13 U C5' C 68.351 0.074 1 198 13 13 U C6 C 143.812 0.009 1 199 13 13 U P P -3.200 0.000 1 200 14 14 C H1' H 5.776 0.002 1 201 14 14 C H2' H 4.646 0.012 1 202 14 14 C H3' H 4.628 0.012 1 203 14 14 C H4' H 4.521 0.007 1 204 14 14 C H5 H 6.110 0.002 1 205 14 14 C H5'' H 4.214 0.008 1 206 14 14 C H6 H 7.928 0.005 1 207 14 14 C C1' C 91.070 0.047 1 208 14 14 C C2' C 74.032 0.042 1 209 14 14 C C3' C 76.425 0.034 1 210 14 14 C C4' C 84.140 0.033 1 211 14 14 C C5 C 99.371 0.009 1 212 14 14 C C5' C 68.902 0.019 1 213 14 14 C C6 C 143.356 0.072 1 214 14 14 C P P -3.595 0.000 1 215 15 15 U H1' H 5.627 0.004 1 216 15 15 U H2' H 4.678 0.004 1 217 15 15 U H3 H 13.330 0.004 1 218 15 15 U H3' H 4.562 0.008 1 219 15 15 U H4' H 4.570 0.000 1 220 15 15 U H5 H 5.646 0.002 1 221 15 15 U H5' H 4.443 0.006 2 222 15 15 U H5'' H 4.453 0.001 2 223 15 15 U H6 H 8.024 0.012 1 224 15 15 U C1' C 93.967 0.013 1 225 15 15 U C2' C 75.026 0.022 1 226 15 15 U C3' C 73.693 0.018 1 227 15 15 U C4' C 83.098 0.011 1 228 15 15 U C5 C 103.549 0.062 1 229 15 15 U C5' C 67.540 0.025 1 230 15 15 U C6 C 142.444 0.014 1 231 15 15 U P P -3.137 0.000 1 232 16 16 A H1' H 5.983 0.002 1 233 16 16 A H2 H 6.404 0.002 1 234 16 16 A H2' H 4.567 0.004 1 235 16 16 A H3' H 4.821 0.003 1 236 16 16 A H4' H 4.587 0.026 1 237 16 16 A H5' H 4.621 0.000 2 238 16 16 A H5'' H 4.285 0.011 2 239 16 16 A H8 H 8.191 0.005 1 240 16 16 A C1' C 92.693 0.012 1 241 16 16 A C2 C 152.055 0.011 1 242 16 16 A C2' C 75.711 0.030 1 243 16 16 A C3' C 72.950 0.027 1 244 16 16 A C4' C 82.153 0.039 1 245 16 16 A C5' C 64.809 0.000 1 246 16 16 A C8 C 139.942 0.031 1 247 16 16 A P P -3.653 0.000 1 248 17 17 A H1' H 5.756 0.006 1 249 17 17 A H2 H 7.070 0.002 1 250 17 17 A H2' H 4.442 0.006 1 251 17 17 A H3' H 4.673 0.004 1 252 17 17 A H4' H 4.513 0.003 1 253 17 17 A H5'' H 4.180 0.004 1 254 17 17 A H8 H 7.763 0.006 1 255 17 17 A C1' C 92.517 0.023 1 256 17 17 A C2 C 152.798 0.015 1 257 17 17 A C2' C 75.643 0.028 1 258 17 17 A C3' C 72.780 0.044 1 259 17 17 A C4' C 82.022 0.027 1 260 17 17 A C5' C 72.766 0.000 1 261 17 17 A C8 C 139.053 0.070 1 262 17 17 A P P -3.823 0.000 1 263 18 18 A H1' H 5.862 0.003 1 264 18 18 A H2 H 7.724 0.009 1 265 18 18 A H2' H 4.469 0.007 1 266 18 18 A H3' H 4.567 0.006 1 267 18 18 A H4' H 4.476 0.000 1 268 18 18 A H5' H 4.574 0.000 2 269 18 18 A H5'' H 4.133 0.004 2 270 18 18 A H8 H 7.753 0.002 1 271 18 18 A C1' C 92.548 0.022 1 272 18 18 A C2 C 153.918 0.012 1 273 18 18 A C2' C 75.595 0.023 1 274 18 18 A C3' C 72.481 0.022 1 275 18 18 A C4' C 81.837 0.016 1 276 18 18 A C5' C 67.139 0.000 1 277 18 18 A C8 C 138.867 0.015 1 278 18 18 A P P -4.058 0.000 1 279 19 19 C H1' H 5.315 0.003 1 280 19 19 C H2' H 4.393 0.013 1 281 19 19 C H3' H 4.320 0.005 1 282 19 19 C H4' H 4.377 0.017 1 283 19 19 C H5 H 5.161 0.003 1 284 19 19 C H5' H 4.463 0.003 2 285 19 19 C H5'' H 4.050 0.004 2 286 19 19 C H6 H 7.228 0.005 1 287 19 19 C C1' C 93.499 0.015 1 288 19 19 C C2' C 75.555 0.026 1 289 19 19 C C3' C 72.355 0.022 1 290 19 19 C C4' C 81.813 0.018 1 291 19 19 C C5 C 97.697 0.003 1 292 19 19 C C5' C 64.884 0.041 1 293 19 19 C C6 C 139.647 0.040 1 294 19 19 C P P -4.023 0.000 1 295 20 20 G H1' H 5.741 0.003 1 296 20 20 G H2' H 4.348 0.005 1 297 20 20 G H3' H 4.595 0.004 1 298 20 20 G H4' H 4.391 0.003 1 299 20 20 G H5' H 4.402 0.003 2 300 20 20 G H5'' H 4.085 0.003 2 301 20 20 G H8 H 7.543 0.004 1 302 20 20 G C1' C 92.685 0.027 1 303 20 20 G C2' C 75.785 0.010 1 304 20 20 G C3' C 73.441 0.062 1 305 20 20 G C4' C 82.818 0.042 1 306 20 20 G C8 C 136.961 0.007 1 307 20 20 G P P -3.735 0.000 1 308 21 21 G H1' H 5.685 0.006 1 309 21 21 G H2' H 4.643 0.006 1 310 21 21 G H3' H 4.573 0.005 1 311 21 21 G H4' H 4.440 0.002 1 312 21 21 G H5' H 4.088 0.009 2 313 21 21 G H5'' H 4.424 0.009 2 314 21 21 G H8 H 7.562 0.007 1 315 21 21 G C1' C 91.369 0.018 1 316 21 21 G C2' C 75.119 0.005 1 317 21 21 G C3' C 74.978 0.002 1 318 21 21 G C4' C 84.128 0.011 1 319 21 21 G C5' C 65.728 0.033 1 320 21 21 G C8 C 138.167 0.018 1 321 21 21 G P P -3.924 0.000 1 322 22 22 U H1' H 5.749 0.004 1 323 22 22 U H2' H 4.231 0.007 1 324 22 22 U H3' H 4.565 0.004 1 325 22 22 U H4' H 4.396 0.005 1 326 22 22 U H5 H 5.578 0.002 1 327 22 22 U H5' H 4.235 0.006 2 328 22 22 U H5'' H 4.073 0.006 2 329 22 22 U H6 H 7.666 0.005 1 330 22 22 U C1' C 91.307 0.028 1 331 22 22 U C2' C 75.817 0.024 1 332 22 22 U C3' C 75.589 0.033 1 333 22 22 U C4' C 84.306 0.010 1 334 22 22 U C5 C 104.907 0.016 1 335 22 22 U C5' C 66.497 0.070 1 336 22 22 U C6 C 142.380 0.010 1 337 22 22 U P P -3.800 0.000 1 338 23 23 U H1' H 5.954 0.002 1 339 23 23 U H2' H 5.058 0.004 1 340 23 23 U H3' H 5.019 0.021 1 341 23 23 U H4' H 4.447 0.002 1 342 23 23 U H5 H 5.750 0.001 1 343 23 23 U H5' H 4.133 0.004 2 344 23 23 U H5'' H 4.299 0.008 2 345 23 23 U H6 H 7.669 0.002 1 346 23 23 U C1' C 94.559 0.025 1 347 23 23 U C2' C 83.743 0.019 1 348 23 23 U C3' C 79.508 0.039 1 349 23 23 U C4' C 86.633 0.020 1 350 23 23 U C5 C 104.877 0.005 1 351 23 23 U C5' C 67.357 0.038 1 352 23 23 U C6 C 145.422 0.015 1 353 23 23 U P P -2.938 0.000 1 stop_ save_