data_25603 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of murine tumour necrosis factor alpha CDE RNA ; _BMRB_accession_number 25603 _BMRB_flat_file_name bmr25603.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" 185 "13C chemical shifts" 148 "15N chemical shifts" 33 "31P chemical shifts" 21 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 25604 'double base-pair inversion mutant of murine tumour necrosis factor alpha CDE-23 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 'murine tumour necrosis factor alpha CDE RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*UP*U)-3')" $RNA_(5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*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*UP*CP*UP*GP*UP*GP*AP*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*UP*CP*UP*GP*UP*GP*AP*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 ; GCAUGUUUUCUGUGAAAACG GUU ; loop_ _Residue_seq_code _Residue_label 1 G 2 C 3 A 4 U 5 G 6 U 7 U 8 U 9 U 10 C 11 U 12 G 13 U 14 G 15 A 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*UP*CP*UP*GP*UP*GP*AP*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*UP*CP*UP*GP*UP*GP*AP*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 'main sample for chemical shift analysis' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*UP*U)-3') 0.30 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' D2O 55 M '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'water sample for immino analysis' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*UP*U)-3') 0.30 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 'RDC sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*UP*U)-3') 0.30 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_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_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_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_ ######################### # 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 'cyoprobe platform' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'cyoprobe platform' 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_1 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 'standard conditions' 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' 'immino-1H-1H NOESY' 3D-HCCH-COSY-TOCSY '3D HsCNb/HbCNb' '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*UP*CP*UP*GP*UP*GP*AP*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 5.699 0.010 1 2 1 1 G H2' H 4.713 0.006 1 3 1 1 G H3' H 4.577 0.010 1 4 1 1 G H4' H 4.419 0.012 1 5 1 1 G H5' H 4.109 0.007 2 6 1 1 G H5'' H 4.268 0.010 2 7 1 1 G H8 H 8.016 0.009 1 8 1 1 G C1' C 91.096 0.033 1 9 1 1 G C2' C 75.392 0.074 1 10 1 1 G C3' C 75.471 0.003 1 11 1 1 G C4' C 84.332 0.024 1 12 1 1 G C5' C 66.871 0.007 1 13 1 1 G C8 C 139.709 0.023 1 14 1 1 G N9 N 168.530 0.050 1 15 1 1 G P P -3.748 0.000 1 16 2 2 C H1' H 5.660 0.014 1 17 2 2 C H2' H 4.247 0.006 1 18 2 2 C H3' H 4.495 0.007 1 19 2 2 C H4' H 4.313 0.008 1 20 2 2 C H5 H 5.521 0.020 1 21 2 2 C H5' H 4.054 0.002 2 22 2 2 C H5'' H 4.089 0.000 2 23 2 2 C H6 H 7.555 0.046 1 24 2 2 C C1' C 92.819 0.081 1 25 2 2 C C2' C 75.825 0.035 1 26 2 2 C C3' C 74.686 0.029 1 27 2 2 C C4' C 83.526 0.026 1 28 2 2 C C5 C 98.087 0.032 1 29 2 2 C C6 C 142.287 0.031 1 30 2 2 C N1 N 151.245 0.011 1 31 3 3 A H1' H 5.866 0.005 1 32 3 3 A H2 H 7.678 0.014 1 33 3 3 A H2' H 4.540 0.015 1 34 3 3 A H3' H 4.549 0.012 1 35 3 3 A H4' H 4.394 0.006 1 36 3 3 A H5' H 4.059 0.004 2 37 3 3 A H5'' H 4.246 0.003 2 38 3 3 A H8 H 8.102 0.007 1 39 3 3 A C1' C 91.058 0.087 1 40 3 3 A C2 C 154.896 0.010 1 41 3 3 A C2' C 76.006 0.072 1 42 3 3 A C3' C 75.877 0.075 1 43 3 3 A C4' C 84.264 0.022 1 44 3 3 A C8 C 140.918 0.020 1 45 3 3 A N9 N 168.946 0.024 1 46 3 3 A P P -3.622 0.000 1 47 4 4 U H1' H 5.681 0.010 1 48 4 4 U H2' H 4.242 0.008 1 49 4 4 U H3' H 4.506 0.007 1 50 4 4 U H4' H 4.392 0.014 1 51 4 4 U H5 H 5.451 0.011 1 52 4 4 U H5'' H 3.920 0.000 1 53 4 4 U H6 H 7.596 0.005 1 54 4 4 U C1' C 91.184 0.014 1 55 4 4 U C2' C 75.785 0.008 1 56 4 4 U C4' C 83.581 0.000 1 57 4 4 U C5 C 104.670 0.036 1 58 4 4 U C6 C 142.645 0.013 1 59 4 4 U N1 N 144.430 0.026 1 60 4 4 U P P -3.880 0.000 1 61 5 5 G H1 H 12.752 0.029 1 62 5 5 G H1' H 5.616 0.007 1 63 5 5 G H2' H 4.595 0.048 1 64 5 5 G H3' H 4.427 0.006 1 65 5 5 G H4' H 4.229 0.003 1 66 5 5 G H5' H 4.238 0.001 2 67 5 5 G H5'' H 4.090 0.023 2 68 5 5 G H8 H 7.857 0.003 1 69 5 5 G C1' C 92.202 0.047 1 70 5 5 G C2' C 74.707 0.096 1 71 5 5 G C3' C 83.338 0.019 1 72 5 5 G C4' C 83.426 0.011 1 73 5 5 G C5' C 67.290 0.043 1 74 5 5 G C8 C 138.146 0.006 1 75 5 5 G N1 N 147.461 0.001 1 76 5 5 G N9 N 168.195 0.000 1 77 5 5 G P P -3.538 0.000 1 78 6 6 U H1' H 5.519 0.004 1 79 6 6 U H2' H 4.451 0.021 1 80 6 6 U H3 H 14.009 0.021 1 81 6 6 U H3' H 4.387 0.014 1 82 6 6 U H4' H 4.277 0.000 1 83 6 6 U H5 H 5.021 0.002 1 84 6 6 U H5' H 4.424 0.000 2 85 6 6 U H5'' H 4.076 0.005 2 86 6 6 U H6 H 7.737 0.007 1 87 6 6 U C1' C 93.976 0.021 1 88 6 6 U C2' C 75.092 0.054 1 89 6 6 U C3' C 72.553 0.070 1 90 6 6 U C4' C 82.465 0.003 1 91 6 6 U C5 C 102.564 0.003 1 92 6 6 U C5' C 65.092 0.010 1 93 6 6 U C6 C 142.532 0.077 1 94 6 6 U N1 N 146.651 0.000 1 95 6 6 U N3 N 162.293 0.069 1 96 7 7 U H1' H 5.535 0.010 1 97 7 7 U H2' H 4.380 0.006 1 98 7 7 U H3 H 13.559 0.001 1 99 7 7 U H3' H 4.444 0.005 1 100 7 7 U H4' H 4.252 0.000 1 101 7 7 U H5 H 5.469 0.004 1 102 7 7 U H5' H 4.426 0.000 2 103 7 7 U H5'' H 4.014 0.002 2 104 7 7 U H6 H 7.875 0.008 1 105 7 7 U C1' C 93.821 0.034 1 106 7 7 U C2' C 75.250 0.049 1 107 7 7 U C3' C 72.624 0.060 1 108 7 7 U C5 C 103.368 0.016 1 109 7 7 U C5' C 64.850 0.016 1 110 7 7 U C6 C 142.502 0.041 1 111 7 7 U N1 N 146.409 0.000 1 112 7 7 U N3 N 162.602 0.000 1 113 7 7 U P P -4.252 0.000 1 114 8 8 U H1' H 5.459 0.003 1 115 8 8 U H2' H 4.211 0.007 1 116 8 8 U H3 H 13.494 0.008 1 117 8 8 U H3' H 4.343 0.000 1 118 8 8 U H4' H 4.033 0.000 1 119 8 8 U H5 H 5.472 0.015 1 120 8 8 U H5'' H 4.016 0.000 1 121 8 8 U H6 H 7.878 0.012 1 122 8 8 U C1' C 93.959 0.037 1 123 8 8 U C2' C 75.204 0.024 1 124 8 8 U C3' C 72.424 0.015 1 125 8 8 U C4' C 82.229 0.029 1 126 8 8 U C5 C 103.438 0.000 1 127 8 8 U C6 C 142.626 0.000 1 128 8 8 U N3 N 162.608 0.011 1 129 8 8 U P P -4.119 0.000 1 130 9 9 U H1' H 5.476 0.004 1 131 9 9 U H2' H 4.042 0.005 1 132 9 9 U H3 H 13.356 0.011 1 133 9 9 U H3' H 4.375 0.020 1 134 9 9 U H4' H 4.248 0.005 1 135 9 9 U H5 H 5.434 0.003 1 136 9 9 U H5'' H 3.965 0.000 1 137 9 9 U H6 H 7.837 0.005 1 138 9 9 U C1' C 93.827 0.032 1 139 9 9 U C2' C 75.361 0.050 1 140 9 9 U C3' C 72.256 0.028 1 141 9 9 U C4' C 82.196 0.032 1 142 9 9 U C5 C 103.074 0.023 1 143 9 9 U C6 C 142.746 0.058 1 144 9 9 U N1 N 146.899 0.058 1 145 9 9 U N3 N 162.156 0.003 1 146 9 9 U P P -4.083 0.000 1 147 10 10 C H1' H 5.617 0.006 1 148 10 10 C H2' H 4.164 0.012 1 149 10 10 C H3' H 4.424 0.004 1 150 10 10 C H4' H 4.253 0.012 1 151 10 10 C H5 H 5.436 0.002 1 152 10 10 C H5' H 4.069 0.000 2 153 10 10 C H5'' H 3.921 0.008 2 154 10 10 C H6 H 7.566 0.049 1 155 10 10 C H41 H 7.931 0.000 1 156 10 10 C H42 H 6.762 0.000 1 157 10 10 C C1' C 91.891 0.031 1 158 10 10 C C2' C 75.833 0.056 1 159 10 10 C C3' C 75.746 0.008 1 160 10 10 C C4' C 83.416 0.041 1 161 10 10 C C5 C 98.086 0.006 1 162 10 10 C C5' C 66.629 0.004 1 163 10 10 C C6 C 142.166 0.013 1 164 10 10 C N1 N 150.197 0.001 1 165 10 10 C N3 N 195.532 0.000 1 166 10 10 C P P -3.920 0.000 1 167 11 11 U H1' H 5.580 0.007 1 168 11 11 U H2' H 4.194 0.010 1 169 11 11 U H3' H 4.320 0.009 1 170 11 11 U H4' H 4.184 0.005 1 171 11 11 U H5 H 5.626 0.003 1 172 11 11 U H5' H 3.982 0.014 2 173 11 11 U H5'' H 3.875 0.012 2 174 11 11 U H6 H 7.675 0.006 1 175 11 11 U C1' C 91.208 0.012 1 176 11 11 U C2' C 75.590 0.036 1 177 11 11 U C3' C 76.563 0.035 1 178 11 11 U C4' C 85.078 0.026 1 179 11 11 U C5 C 104.843 0.012 1 180 11 11 U C5' C 67.176 0.045 1 181 11 11 U C6 C 143.146 0.036 1 182 11 11 U N1 N 144.018 0.000 1 183 11 11 U P P -3.883 0.000 1 184 12 12 G H1' H 5.289 0.006 1 185 12 12 G H2' H 4.309 0.005 1 186 12 12 G H3' H 4.440 0.006 1 187 12 12 G H4' H 3.929 0.007 1 188 12 12 G H5' H 3.839 0.010 2 189 12 12 G H5'' H 3.950 0.005 2 190 12 12 G H8 H 7.671 0.007 1 191 12 12 G C1' C 89.437 0.032 1 192 12 12 G C2' C 76.624 0.026 1 193 12 12 G C3' C 77.596 0.056 1 194 12 12 G C4' C 85.956 0.023 1 195 12 12 G C5' C 67.887 0.007 1 196 12 12 G C8 C 140.127 0.048 1 197 12 12 G N9 N 168.003 0.022 1 198 12 12 G P P -3.841 0.000 1 199 13 13 U H1' H 5.722 0.008 1 200 13 13 U H2' H 4.141 0.016 1 201 13 13 U H3' H 4.562 0.010 1 202 13 13 U H4' H 4.166 0.013 1 203 13 13 U H5 H 5.659 0.003 1 204 13 13 U H5' H 3.639 0.007 2 205 13 13 U H5'' H 3.762 0.009 2 206 13 13 U H6 H 7.557 0.005 1 207 13 13 U C1' C 89.501 0.042 1 208 13 13 U C2' C 75.712 0.030 1 209 13 13 U C3' C 77.543 0.043 1 210 13 13 U C4' C 85.178 0.026 1 211 13 13 U C5 C 105.534 0.004 1 212 13 13 U C5' C 68.030 0.026 1 213 13 13 U C6 C 143.840 0.047 1 214 13 13 U N1 N 143.576 0.010 1 215 13 13 U P P -3.071 0.000 1 216 14 14 G H1 H 11.988 0.044 1 217 14 14 G H1' H 5.624 0.008 1 218 14 14 G H2' H 4.756 0.008 1 219 14 14 G H3' H 4.550 0.006 1 220 14 14 G H4' H 4.418 0.007 1 221 14 14 G H5' H 4.091 0.005 2 222 14 14 G H5'' H 4.089 0.003 2 223 14 14 G H8 H 7.940 0.003 1 224 14 14 G C1' C 88.547 0.021 1 225 14 14 G C2' C 74.619 0.046 1 226 14 14 G C3' C 76.128 0.064 1 227 14 14 G C4' C 84.263 0.040 1 228 14 14 G C5' C 69.064 0.006 1 229 14 14 G C8 C 138.131 0.006 1 230 14 14 G N1 N 146.915 0.035 1 231 14 14 G N9 N 166.724 0.000 1 232 14 14 G P P -3.462 0.000 1 233 15 15 A H1' H 5.897 0.004 1 234 15 15 A H2 H 7.117 0.003 1 235 15 15 A H2' H 4.570 0.007 1 236 15 15 A H3' H 4.490 0.012 1 237 15 15 A H4' H 4.494 0.008 1 238 15 15 A H5'' H 4.335 0.007 1 239 15 15 A H8 H 7.907 0.006 1 240 15 15 A C1' C 92.903 0.024 1 241 15 15 A C2 C 153.033 0.035 1 242 15 15 A C2' C 75.409 0.056 1 243 15 15 A C3' C 73.904 0.056 1 244 15 15 A C4' C 83.119 0.059 1 245 15 15 A C5' C 67.899 0.018 1 246 15 15 A C8 C 140.527 0.061 1 247 15 15 A N1 N 220.526 0.000 1 248 15 15 A N9 N 169.918 0.001 1 249 15 15 A P P -2.905 0.000 1 250 16 16 A H1' H 5.737 0.018 1 251 16 16 A H2 H 6.999 0.004 1 252 16 16 A H2' H 4.374 0.006 1 253 16 16 A H3' H 4.536 0.005 1 254 16 16 A H4' H 4.355 0.041 1 255 16 16 A H5' H 4.250 0.002 2 256 16 16 A H5'' H 4.047 0.009 2 257 16 16 A H8 H 7.592 0.004 1 258 16 16 A C1' C 92.502 0.018 1 259 16 16 A C2 C 152.796 0.031 1 260 16 16 A C2' C 75.627 0.027 1 261 16 16 A C3' C 75.625 0.003 1 262 16 16 A C4' C 81.910 0.000 1 263 16 16 A C5' C 66.537 0.016 1 264 16 16 A C8 C 139.163 0.043 1 265 16 16 A N1 N 220.341 0.000 1 266 16 16 A P P -3.747 0.000 1 267 17 17 A H1' H 5.621 0.006 1 268 17 17 A H2 H 7.002 0.005 1 269 17 17 A H2' H 4.328 0.010 1 270 17 17 A H3' H 4.473 0.018 1 271 17 17 A H4' H 4.345 0.010 1 272 17 17 A H5' H 4.417 0.009 2 273 17 17 A H5'' H 3.988 0.012 2 274 17 17 A H8 H 7.485 0.005 1 275 17 17 A H61 H 6.581 0.000 1 276 17 17 A C1' C 92.501 0.082 1 277 17 17 A C2 C 152.796 0.031 1 278 17 17 A C2' C 75.563 0.057 1 279 17 17 A C3' C 72.791 0.017 1 280 17 17 A C4' C 81.932 0.034 1 281 17 17 A C5' C 65.137 0.070 1 282 17 17 A C8 C 139.032 0.041 1 283 17 17 A N1 N 220.357 0.000 1 284 17 17 A N9 N 170.131 0.008 1 285 17 17 A P P -3.547 0.000 1 286 18 18 A H1' H 5.732 0.004 1 287 18 18 A H2 H 7.621 0.002 1 288 18 18 A H2' H 4.332 0.010 1 289 18 18 A H3' H 4.390 0.008 1 290 18 18 A H4' H 4.354 0.000 1 291 18 18 A H5' H 4.427 0.001 2 292 18 18 A H5'' H 3.974 0.012 2 293 18 18 A H8 H 7.583 0.009 1 294 18 18 A C1' C 92.501 0.020 1 295 18 18 A C2 C 153.930 0.035 1 296 18 18 A C2' C 75.532 0.046 1 297 18 18 A C3' C 72.528 0.065 1 298 18 18 A C4' C 81.896 0.011 1 299 18 18 A C5' C 65.049 0.029 1 300 18 18 A C8 C 138.870 0.032 1 301 18 18 A N1 N 221.549 0.000 1 302 18 18 A N9 N 170.604 0.054 1 303 18 18 A P P -3.819 0.000 1 304 19 19 C H1' H 5.177 0.005 1 305 19 19 C H2' H 4.237 0.005 1 306 19 19 C H3' H 4.160 0.014 1 307 19 19 C H4' H 4.203 0.017 1 308 19 19 C H5 H 4.999 0.006 1 309 19 19 C H5' H 4.307 0.006 2 310 19 19 C H5'' H 3.891 0.008 2 311 19 19 C H6 H 7.071 0.009 1 312 19 19 C H41 H 7.907 0.000 1 313 19 19 C H42 H 6.587 0.000 1 314 19 19 C C1' C 93.441 0.014 1 315 19 19 C C2' C 75.478 0.025 1 316 19 19 C C3' C 72.355 0.042 1 317 19 19 C C4' C 81.753 0.041 1 318 19 19 C C5 C 97.578 0.015 1 319 19 19 C C5' C 64.794 0.006 1 320 19 19 C C6 C 139.676 0.030 1 321 19 19 C N1 N 149.863 0.012 1 322 19 19 C N3 N 195.710 0.000 1 323 19 19 C P P -4.078 0.000 1 324 20 20 G H1' H 5.577 0.010 1 325 20 20 G H2' H 4.191 0.012 1 326 20 20 G H3' H 4.437 0.016 1 327 20 20 G H4' H 4.235 0.012 1 328 20 20 G H5' H 3.926 0.008 2 329 20 20 G H5'' H 4.249 0.000 2 330 20 20 G H8 H 7.383 0.008 1 331 20 20 G C1' C 92.568 0.049 1 332 20 20 G C2' C 75.644 0.048 1 333 20 20 G C3' C 73.475 0.023 1 334 20 20 G C4' C 82.796 0.027 1 335 20 20 G C5' C 65.513 0.017 1 336 20 20 G C8 C 136.919 0.014 1 337 20 20 G N9 N 169.466 0.026 1 338 20 20 G P P -3.740 0.000 1 339 21 21 G H1' H 5.531 0.022 1 340 21 21 G H2' H 4.473 0.007 1 341 21 21 G H3' H 4.437 0.012 1 342 21 21 G H4' H 4.275 0.004 1 343 21 21 G H5' H 4.257 0.014 2 344 21 21 G H5'' H 3.939 0.010 2 345 21 21 G H8 H 7.420 0.010 1 346 21 21 G C1' C 91.216 0.077 1 347 21 21 G C2' C 75.082 0.034 1 348 21 21 G C3' C 75.121 0.000 1 349 21 21 G C4' C 84.201 0.028 1 350 21 21 G C5' C 66.010 0.008 1 351 21 21 G C8 C 138.239 0.044 1 352 21 21 G N9 N 167.809 0.007 1 353 21 21 G P P -3.954 0.000 1 354 22 22 U H1' H 5.630 0.012 1 355 22 22 U H2' H 4.083 0.010 1 356 22 22 U H3' H 4.412 0.005 1 357 22 22 U H4' H 4.242 0.008 1 358 22 22 U H5 H 5.424 0.009 1 359 22 22 U H5' H 3.923 0.008 2 360 22 22 U H5'' H 4.059 0.005 2 361 22 22 U H6 H 7.510 0.003 1 362 22 22 U C1' C 91.020 0.031 1 363 22 22 U C2' C 75.767 0.056 1 364 22 22 U C3' C 75.716 0.050 1 365 22 22 U C4' C 84.345 0.027 1 366 22 22 U C5 C 104.837 0.035 1 367 22 22 U C5' C 66.887 0.000 1 368 22 22 U C6 C 142.401 0.040 1 369 22 22 U N1 N 144.128 0.015 1 370 22 22 U P P -3.861 0.000 1 371 23 23 U H1' H 5.794 0.004 1 372 23 23 U H2' H 4.920 0.006 1 373 23 23 U H3' H 4.851 0.005 1 374 23 23 U H4' H 4.294 0.009 1 375 23 23 U H5 H 5.596 0.006 1 376 23 23 U H5' H 3.982 0.005 2 377 23 23 U H5'' H 4.126 0.007 2 378 23 23 U H6 H 7.516 0.002 1 379 23 23 U C1' C 94.550 0.095 1 380 23 23 U C2' C 83.547 0.017 1 381 23 23 U C3' C 79.500 0.026 1 382 23 23 U C4' C 86.591 0.015 1 383 23 23 U C5 C 104.782 0.014 1 384 23 23 U C5' C 67.343 0.016 1 385 23 23 U C6 C 145.441 0.019 1 386 23 23 U N1 N 145.696 0.030 1 387 23 23 U P P -4.079 0.000 1 stop_ save_