data_15538 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of a high affinity anti-NFkB RNA aptamer ; _BMRB_accession_number 15538 _BMRB_flat_file_name bmr15538.str _Entry_type original _Submission_date 2007-10-25 _Accession_date 2007-10-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of a high affinity 29nt. anti-NFkB RNA aptamer' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reiter Nicholas J. . 2 Maher 'L. James' . III 3 Butcher Samuel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 256 "13C chemical shifts" 193 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-27 update BMRB 'Correct entry citation' 2008-07-28 update BMRB 'complete entry citation' 2007-12-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'DNA mimicry by a high affinity anti-NF-kB RNA apatamer' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18160411 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reiter Nicholas J. . 2 Maher 'L. James' . III 3 Butcher Samuel E. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 36 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1227 _Page_last 1236 _Year 2008 _Details . loop_ _Keyword NMR 'RNA aptamer' 'RNA bending' Structure 'transcription factor NF-kappa B' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA apatamer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RNA $RNA stop_ _System_molecular_weight 9309.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass 132.116 _Mol_thiol_state 'not present' loop_ _Biological_function 'specifically binds the (p50)2 domain of NF-kappa B' stop_ _Details 'A 29 polyribonucleic acid' ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; GAUACUUGAAACUGUAAGGU UGGCGUAUC ; loop_ _Residue_seq_code _Residue_label 1 G 2 A 3 U 4 A 5 C 6 U 7 U 8 G 9 A 10 A 11 A 12 C 13 U 14 G 15 U 16 A 17 A 18 G 19 G 20 U 21 U 22 G 23 G 24 C 25 G 26 U 27 A 28 U 29 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1OOA 'Crystal structure of NF-kappa B with bound RNA' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $RNA . . . . . . 'RNA aptamer was in vitro selected. RNA transcribed in vitro using a His-Tag T7 RNA polymerase.' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $RNA 'recombinant technology' . . . . 'T7 RNA polymerase' 'T7 RNA polymerase' 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 1 mM '[U-99% 13C; U-99% 15N]' KCl 50 mM 'natural abundance' H20 90 % 'natural abundance' D2O 10 % . stop_ save_ save_Sample_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1 mM 'natural abundance' D2O 100 % . 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 'structure solution' 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 stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Sample_D2O save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Sample_D2O save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 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' 0.05 0.005 M pH 7.0 . pH pressure 1 . atm temperature 298 . 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 carbon' ppm 90 internal indirect . . . 1.0 DSS H 1 'methyl protons' ppm 4.7 internal indirect . . . 1.0 DSS N 15 nitrogen ppm 140 internal indirect . . . 1.0 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-1H NOESY' stop_ loop_ _Sample_label $Sample_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RNA _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 12.624 0.005 . 2 1 1 G H1' H 5.764 0.001 . 3 1 1 G H2' H 4.940 0.006 . 4 1 1 G H3' H 4.791 0.002 . 5 1 1 G H4' H 4.531 0.008 . 6 1 1 G H5' H 4.235 0.004 . 7 1 1 G H5'' H 4.145 0.008 . 8 1 1 G H8 H 8.121 0.006 . 9 1 1 G C1' C 89.727 0.05 . 10 1 1 G C2' C 74.538 0.05 . 11 1 1 G C3' C 75.815 0.05 . 12 1 1 G C4' C 83.418 0.05 . 13 1 1 G C5' C 66.249 0.240 . 14 1 1 G C8 C 139.181 0.05 . 15 1 1 G N1 N 147.035 0.05 . 16 2 2 A H1' H 6.116 0.005 . 17 2 2 A H2 H 7.875 0.006 . 18 2 2 A H2' H 4.568 0.009 . 19 2 2 A H3' H 4.685 0.004 . 20 2 2 A H4' H 4.602 0.004 . 21 2 2 A H5' H 4.541 0.002 . 22 2 2 A H5'' H 4.372 0.004 . 23 2 2 A H8 H 8.155 0.006 . 24 2 2 A H61 H 8.065 0.164 . 25 2 2 A H62 H 6.658 0.05 . 26 2 2 A C1' C 92.826 0.05 . 27 2 2 A C2 C 153.874 0.05 . 28 2 2 A C2' C 75.759 0.05 . 29 2 2 A C3' C 73.441 0.05 . 30 2 2 A C4' C 83.729 0.05 . 31 2 2 A C5 C 66.277 0.014 . 32 2 2 A C8 C 140.613 0.05 . 33 2 2 A N1 N 222.363 0.05 . 34 2 2 A N6 N 82.552 0.05 . 35 3 3 U H1' H 5.505 0.008 . 36 3 3 U H2' H 4.407 0.002 . 37 3 3 U H3 H 13.425 0.001 . 38 3 3 U H3' H 4.452 0.05 . 39 3 3 U H4' H 4.149 0.002 . 40 3 3 U H5 H 5.132 0.001 . 41 3 3 U H5' H 4.125 0.05 . 42 3 3 U H5'' H 4.126 0.05 . 43 3 3 U H6 H 7.648 0.005 . 44 3 3 U C1' C 94.176 0.05 . 45 3 3 U C2' C 75.204 0.05 . 46 3 3 U C3' C 75.256 0.05 . 47 3 3 U C4' C 83.731 0.05 . 48 3 3 U C5 C 100.733 0.05 . 49 3 3 U C5' C 69.963 0.05 . 50 3 3 U C6 C 143.100 0.05 . 51 3 3 U N3 N 161.692 0.05 . 52 4 4 A H1' H 6.007 0.002 . 53 4 4 A H2 H 7.186 0.005 . 54 4 4 A H2' H 4.524 0.005 . 55 4 4 A H3' H 4.608 0.001 . 56 4 4 A H4' H 4.496 0.001 . 57 4 4 A H5' H 4.541 0.013 . 58 4 4 A H5'' H 4.162 0.001 . 59 4 4 A H8 H 8.096 0.003 . 60 4 4 A H61 H 8.091 0.002 . 61 4 4 A H62 H 6.897 0.033 . 62 4 4 A C1' C 92.383 0.05 . 63 4 4 A C2 C 153.368 0.05 . 64 4 4 A C2' C 75.448 0.05 . 65 4 4 A C3' C 72.706 0.05 . 66 4 4 A C4' C 81.920 0.05 . 67 4 4 A C5' C 65.415 0.084 . 68 4 4 A C8 C 139.598 0.05 . 69 4 4 A N1 N 222.788 0.05 . 70 4 4 A N6 N 82.238 0.079 . 71 5 5 C H1' H 5.306 0.011 . 72 5 5 C H2' H 4.289 0.007 . 73 5 5 C H3' H 4.092 0.003 . 74 5 5 C H4' H 4.346 0.001 . 75 5 5 C H5 H 5.097 0.05 . 76 5 5 C H5' H 4.398 0.005 . 77 5 5 C H5'' H 4.024 0.022 . 78 5 5 C H6 H 7.196 0.008 . 79 5 5 C H41 H 8.442 0.05 . 80 5 5 C H42 H 6.433 0.05 . 81 5 5 C C1' C 93.424 0.05 . 82 5 5 C C2' C 75.731 0.05 . 83 5 5 C C3' C 72.791 0.05 . 84 5 5 C C4' C 82.090 0.05 . 85 5 5 C C5 C 95.079 0.05 . 86 5 5 C C5' C 65.260 0.156 . 87 5 5 C C6 C 140.478 0.05 . 88 5 5 C N3 N 186.921 0.05 . 89 5 5 C N4 N 96.098 0.05 . 90 6 6 U H1' H 5.504 0.018 . 91 6 6 U H2' H 4.037 0.009 . 92 6 6 U H3' H 4.273 0.001 . 93 6 6 U H4' H 4.071 0.001 . 94 6 6 U H5 H 5.421 0.011 . 95 6 6 U H6 H 7.617 0.002 . 96 6 6 U C1' C 92.672 0.05 . 97 6 6 U C2' C 75.572 0.05 . 98 6 6 U C3' C 73.587 0.05 . 99 6 6 U C4' C 81.922 0.05 . 100 6 6 U C5 C 102.040 0.05 . 101 6 6 U C6 C 142.289 0.05 . 102 7 7 U H1' H 5.549 0.013 . 103 7 7 U H2' H 4.160 0.069 . 104 7 7 U H3' H 4.503 0.008 . 105 7 7 U H4' H 4.164 0.002 . 106 7 7 U H5 H 5.592 0.004 . 107 7 7 U H5' H 4.088 0.004 . 108 7 7 U H5'' H 3.960 0.005 . 109 7 7 U H6 H 7.656 0.007 . 110 7 7 U C1' C 90.967 0.05 . 111 7 7 U C2' C 75.420 0.05 . 112 7 7 U C3' C 76.465 0.05 . 113 7 7 U C4' C 84.012 0.05 . 114 7 7 U C5 C 102.448 0.05 . 115 7 7 U C5' C 66.616 0.014 . 116 7 7 U C6 C 141.666 0.05 . 117 8 8 G H1' H 5.578 0.007 . 118 8 8 G H2' H 4.693 0.002 . 119 8 8 G H3' H 4.802 0.003 . 120 8 8 G H4' H 4.394 0.002 . 121 8 8 G H5' H 4.176 0.007 . 122 8 8 G H5'' H 4.098 0.003 . 123 8 8 G H8 H 7.768 0.008 . 124 8 8 G C1' C 89.663 0.05 . 125 8 8 G C2' C 75.476 0.05 . 126 8 8 G C3' C 76.324 0.05 . 127 8 8 G C4' C 84.520 0.05 . 128 8 8 G C5' C 67.535 0.028 . 129 8 8 G C8 C 137.954 0.05 . 130 9 9 A H1' H 5.940 0.008 . 131 9 9 A H2 H 7.975 0.004 . 132 9 9 A H2' H 4.874 0.007 . 133 9 9 A H3' H 4.709 0.008 . 134 9 9 A H4' H 4.617 0.003 . 135 9 9 A H5' H 4.372 0.004 . 136 9 9 A H5'' H 4.270 0.006 . 137 9 9 A H8 H 8.117 0.014 . 138 9 9 A H61 H 7.828 0.05 . 139 9 9 A H62 H 6.640 0.008 . 140 9 9 A C1' C 91.147 0.05 . 141 9 9 A C2 C 154.811 0.05 . 142 9 9 A C2' C 75.589 0.05 . 143 9 9 A C3' C 75.363 0.05 . 144 9 9 A C4' C 84.040 0.05 . 145 9 9 A C5' C 67.502 0.05 . 146 9 9 A C8 C 141.318 0.05 . 147 9 9 A N6 N 81.948 0.05 . 148 10 10 A H1' H 5.513 0.026 . 149 10 10 A H2 H 7.203 0.003 . 150 10 10 A H2' H 4.682 0.006 . 151 10 10 A H3' H 4.622 0.042 . 152 10 10 A H4' H 4.450 0.005 . 153 10 10 A H5' H 4.378 0.056 . 154 10 10 A H5'' H 4.046 0.05 . 155 10 10 A H8 H 8.202 0.008 . 156 10 10 A H61 H 7.991 0.05 . 157 10 10 A H62 H 6.483 0.05 . 158 10 10 A C1' C 91.256 0.05 . 159 10 10 A C2 C 152.992 0.05 . 160 10 10 A C2' C 75.390 0.05 . 161 10 10 A C3' C 72.801 0.05 . 162 10 10 A C4' C 83.846 0.05 . 163 10 10 A C5' C 66.685 0.05 . 164 10 10 A C8 C 140.508 0.05 . 165 10 10 A N1 N 222.646 0.05 . 166 11 11 A H1' H 5.872 0.006 . 167 11 11 A H2 H 7.778 0.003 . 168 11 11 A H2' H 4.517 0.004 . 169 11 11 A H3' H 4.460 0.001 . 170 11 11 A H4' H 4.528 0.05 . 171 11 11 A H5' H 4.459 0.008 . 172 11 11 A H8 H 7.713 0.008 . 173 11 11 A H61 H 8.107 0.044 . 174 11 11 A H62 H 6.779 0.05 . 175 11 11 A C1' C 92.604 0.05 . 176 11 11 A C2 C 153.772 0.05 . 177 11 11 A C2' C 75.137 0.05 . 178 11 11 A C3' C 73.243 0.05 . 179 11 11 A C4' C 82.231 0.05 . 180 11 11 A C5' C 66.147 0.05 . 181 11 11 A C8 C 139.331 0.05 . 182 11 11 A N1 N 222.717 0.05 . 183 11 11 A N6 N 82.003 0.05 . 184 12 12 C H1' H 5.366 0.002 . 185 12 12 C H2' H 4.373 0.006 . 186 12 12 C H3' H 4.207 0.001 . 187 12 12 C H4' H 4.382 0.006 . 188 12 12 C H5 H 5.044 0.008 . 189 12 12 C H5' H 4.473 0.005 . 190 12 12 C H5'' H 4.042 0.012 . 191 12 12 C H6 H 7.289 0.003 . 192 12 12 C H41 H 8.600 0.05 . 193 12 12 C H42 H 6.337 0.05 . 194 12 12 C C1' C 93.625 0.05 . 195 12 12 C C2' C 75.278 0.05 . 196 12 12 C C3' C 72.283 0.05 . 197 12 12 C C4' C 81.835 0.05 . 198 12 12 C C5 C 94.956 0.05 . 199 12 12 C C5' C 64.581 0.014 . 200 12 12 C C6 C 140.440 0.05 . 201 12 12 C N3 N 186.992 0.05 . 202 12 12 C N4 N 96.115 0.05 . 203 13 13 U H1' H 5.513 0.005 . 204 13 13 U H2' H 4.113 0.010 . 205 13 13 U H3 H 11.537 0.05 . 206 13 13 U H3' H 4.324 0.001 . 207 13 13 U H4' H 4.418 0.003 . 208 13 13 U H5 H 5.496 0.004 . 209 13 13 U H5' H 4.043 0.003 . 210 13 13 U H6 H 7.580 0.004 . 211 13 13 U C1' C 93.123 0.05 . 212 13 13 U C2' C 75.390 0.05 . 213 13 13 U C3' C 72.590 0.05 . 214 13 13 U C4' C 82.024 0.05 . 215 13 13 U C5 C 102.938 0.05 . 216 13 13 U C5' C 64.192 0.05 . 217 13 13 U C6 C 140.384 0.05 . 218 13 13 U N3 N 157.014 0.05 . 219 14 14 G H1 H 10.494 0.05 . 220 14 14 G H1' H 5.510 0.006 . 221 14 14 G H2' H 4.747 0.002 . 222 14 14 G H3' H 4.323 0.006 . 223 14 14 G H4' H 4.542 0.001 . 224 14 14 G H5' H 4.080 0.05 . 225 14 14 G H5'' H 4.059 0.008 . 226 14 14 G H8 H 7.975 0.003 . 227 14 14 G H22 H 6.131 0.010 . 228 14 14 G C1' C 88.384 0.05 . 229 14 14 G C2' C 77.545 0.05 . 230 14 14 G C3' C 73.798 0.05 . 231 14 14 G C4' C 84.686 0.05 . 232 14 14 G C5' C 66.570 0.05 . 233 14 14 G C8 C 138.204 0.05 . 234 14 14 G N1 N 146.366 0.05 . 235 14 14 G N2 N 76.850 0.05 . 236 15 15 U H1' H 5.703 0.006 . 237 15 15 U H2' H 4.320 0.038 . 238 15 15 U H3' H 4.327 0.043 . 239 15 15 U H4' H 4.033 0.002 . 240 15 15 U H5 H 5.754 0.001 . 241 15 15 U H5' H 3.941 0.012 . 242 15 15 U H5'' H 3.922 0.003 . 243 15 15 U H6 H 7.750 0.016 . 244 15 15 U C1' C 89.112 0.05 . 245 15 15 U C2' C 75.420 0.05 . 246 15 15 U C3' C 77.144 0.05 . 247 15 15 U C4' C 84.294 0.05 . 248 15 15 U C5 C 103.367 0.05 . 249 15 15 U C5' C 67.859 0.015 . 250 15 15 U C6 C 143.728 0.05 . 251 16 16 A H1' H 5.633 0.011 . 252 16 16 A H2 H 7.912 0.002 . 253 16 16 A H2' H 4.437 0.022 . 254 16 16 A H3' H 4.655 0.002 . 255 16 16 A H4' H 4.247 0.006 . 256 16 16 A H5' H 3.823 0.003 . 257 16 16 A H5'' H 3.610 0.005 . 258 16 16 A H8 H 7.949 0.005 . 259 16 16 A C1' C 90.315 0.05 . 260 16 16 A C2 C 154.859 0.05 . 261 16 16 A C2' C 75.677 0.05 . 262 16 16 A C3' C 77.907 0.05 . 263 16 16 A C4' C 84.294 0.05 . 264 16 16 A C5' C 67.478 0.028 . 265 16 16 A C8 C 141.374 0.05 . 266 17 17 A H1' H 6.138 0.003 . 267 17 17 A H2 H 8.046 0.003 . 268 17 17 A H2' H 4.850 0.006 . 269 17 17 A H3' H 5.424 0.026 . 270 17 17 A H4' H 4.604 0.002 . 271 17 17 A H5' H 4.563 0.007 . 272 17 17 A H5'' H 4.336 0.003 . 273 17 17 A H8 H 8.277 0.002 . 274 17 17 A C1' C 91.258 0.05 . 275 17 17 A C2 C 154.792 0.05 . 276 17 17 A C2' C 76.663 0.05 . 277 17 17 A C3' C 76.268 0.05 . 278 17 17 A C4' C 83.983 0.05 . 279 17 17 A C5' C 68.185 0.028 . 280 17 17 A C8 C 142.906 0.05 . 281 18 18 G H1 H 10.686 0.056 . 282 18 18 G H1' H 4.599 0.007 . 283 18 18 G H2' H 4.575 0.020 . 284 18 18 G H3' H 4.475 0.05 . 285 18 18 G H4' H 4.380 0.05 . 286 18 18 G H5' H 4.338 0.05 . 287 18 18 G H8 H 7.752 0.046 . 288 18 18 G H21 H 6.060 0.05 . 289 18 18 G H22 H 6.080 0.05 . 290 18 18 G C1' C 91.884 0.05 . 291 18 18 G C2' C 75.256 0.05 . 292 18 18 G C3' C 72.571 0.05 . 293 18 18 G C4' C 84.325 0.05 . 294 18 18 G C5' C 69.024 0.05 . 295 18 18 G C8 C 139.584 0.05 . 296 18 18 G N1 N 144.094 0.05 . 297 19 19 G H1 H 13.206 0.057 . 298 19 19 G H1' H 5.659 0.011 . 299 19 19 G H2' H 4.471 0.007 . 300 19 19 G H3' H 4.237 0.004 . 301 19 19 G H4' H 4.414 0.014 . 302 19 19 G H5' H 4.409 0.004 . 303 19 19 G H5'' H 4.053 0.001 . 304 19 19 G H8 H 7.189 0.012 . 305 19 19 G H21 H 7.040 0.05 . 306 19 19 G H22 H 6.539 0.034 . 307 19 19 G C1' C 92.321 0.05 . 308 19 19 G C2' C 75.109 0.05 . 309 19 19 G C3' C 75.731 0.05 . 310 19 19 G C4' C 82.203 0.05 . 311 19 19 G C5' C 65.415 0.057 . 312 19 19 G C8 C 136.405 0.05 . 313 19 19 G N1 N 149.084 0.05 . 314 19 19 G N2 N 77.460 0.132 . 315 20 20 U H1' H 5.582 0.008 . 316 20 20 U H2' H 4.454 0.006 . 317 20 20 U H3 H 14.086 0.004 . 318 20 20 U H3' H 4.455 0.05 . 319 20 20 U H4' H 4.415 0.002 . 320 20 20 U H5 H 5.063 0.001 . 321 20 20 U H5' H 4.537 0.003 . 322 20 20 U H5'' H 4.073 0.001 . 323 20 20 U H6 H 7.676 0.004 . 324 20 20 U C1' C 93.575 0.05 . 325 20 20 U C2' C 75.448 0.05 . 326 20 20 U C3' C 72.056 0.05 . 327 20 20 U C4' C 82.035 0.05 . 328 20 20 U C5 C 100.468 0.05 . 329 20 20 U C5' C 64.242 0.043 . 330 20 20 U C6 C 141.265 0.05 . 331 20 20 U N3 N 161.606 0.05 . 332 21 21 U H1' H 5.654 0.008 . 333 21 21 U H2' H 4.331 0.003 . 334 21 21 U H3 H 14.045 0.005 . 335 21 21 U H3' H 4.393 0.013 . 336 21 21 U H4' H 4.418 0.001 . 337 21 21 U H5 H 5.435 0.05 . 338 21 21 U H5' H 4.458 0.05 . 339 21 21 U H5'' H 4.109 0.05 . 340 21 21 U H6 H 7.693 0.003 . 341 21 21 U C1' C 93.249 0.05 . 342 21 21 U C2' C 75.957 0.05 . 343 21 21 U C3' C 72.565 0.05 . 344 21 21 U C4' C 82.203 0.170 . 345 21 21 U C5 C 101.734 0.05 . 346 21 21 U C5' C 65.160 0.056 . 347 21 21 U C6 C 141.757 0.05 . 348 21 21 U N3 N 162.004 0.05 . 349 22 22 G H1 H 10.372 0.003 . 350 22 22 G H1' H 5.477 0.005 . 351 22 22 G H2' H 4.539 0.011 . 352 22 22 G H3' H 4.624 0.002 . 353 22 22 G H4' H 4.479 0.004 . 354 22 22 G H5' H 4.301 0.003 . 355 22 22 G H5'' H 4.109 0.002 . 356 22 22 G H8 H 7.802 0.010 . 357 22 22 G H21 H 6.996 0.05 . 358 22 22 G H22 H 6.881 0.011 . 359 22 22 G C1' C 89.789 0.05 . 360 22 22 G C2' C 75.305 0.05 . 361 22 22 G C3' C 75.751 0.05 . 362 22 22 G C4' C 84.040 0.05 . 363 22 22 G C5' C 66.442 0.081 . 364 22 22 G C8 C 137.841 0.05 . 365 22 22 G N1 N 146.099 0.05 . 366 22 22 G N2 N 77.697 0.05 . 367 23 23 G H1' H 5.295 0.009 . 368 23 23 G H2' H 4.509 0.004 . 369 23 23 G H3' H 4.632 0.002 . 370 23 23 G H4' H 4.051 0.05 . 371 23 23 G H5' H 4.046 0.009 . 372 23 23 G H5'' H 4.027 0.005 . 373 23 23 G H8 H 7.633 0.004 . 374 23 23 G H22 H 6.765 0.05 . 375 23 23 G C1' C 89.864 0.05 . 376 23 23 G C2' C 75.335 0.05 . 377 23 23 G C3' C 75.335 0.05 . 378 23 23 G C4' C 83.814 0.05 . 379 23 23 G C5' C 66.531 0.014 . 380 23 23 G C8 C 138.730 0.05 . 381 24 24 C H1' H 5.718 0.018 . 382 24 24 C H2' H 4.461 0.013 . 383 24 24 C H3' H 4.392 0.05 . 384 24 24 C H4' H 4.460 0.004 . 385 24 24 C H5 H 5.267 0.05 . 386 24 24 C H5' H 4.386 0.001 . 387 24 24 C H5'' H 4.209 0.05 . 388 24 24 C H6 H 7.618 0.005 . 389 24 24 C C1' C 92.973 0.05 . 390 24 24 C C2' C 76.070 0.05 . 391 24 24 C C3' C 74.487 0.05 . 392 24 24 C C4' C 82.881 0.05 . 393 24 24 C C5 C 95.385 0.05 . 394 24 24 C C5' C 66.870 0.014 . 395 24 24 C C6 C 141.537 0.05 . 396 25 25 G H1 H 13.003 0.051 . 397 25 25 G H1' H 5.549 0.012 . 398 25 25 G H2' H 4.651 0.013 . 399 25 25 G H3' H 4.444 0.006 . 400 25 25 G H4' H 4.511 0.002 . 401 25 25 G H5' H 4.316 0.004 . 402 25 25 G H5'' H 4.191 0.05 . 403 25 25 G H8 H 7.781 0.014 . 404 25 25 G H21 H 7.721 0.05 . 405 25 25 G H22 H 6.511 0.012 . 406 25 25 G C1' C 92.847 0.05 . 407 25 25 G C2' C 75.024 0.05 . 408 25 25 G C3' C 74.261 0.05 . 409 25 25 G C4' C 82.881 0.05 . 410 25 25 G C5' C 67.153 0.014 . 411 25 25 G C8 C 139.380 0.05 . 412 25 25 G N1 N 149.574 0.05 . 413 25 25 G N2 N 70.806 0.05 . 414 26 26 U H1' H 5.607 0.010 . 415 26 26 U H2' H 4.662 0.019 . 416 26 26 U H3 H 13.499 0.064 . 417 26 26 U H3' H 4.636 0.006 . 418 26 26 U H4' H 4.485 0.002 . 419 26 26 U H5 H 5.238 0.001 . 420 26 26 U H5' H 4.564 0.001 . 421 26 26 U H5'' H 4.162 0.001 . 422 26 26 U H6 H 7.840 0.008 . 423 26 26 U C1' C 93.499 0.05 . 424 26 26 U C2' C 75.165 0.05 . 425 26 26 U C3' C 72.593 0.05 . 426 26 26 U C4' C 82.288 0.05 . 427 26 26 U C5 C 100.529 0.05 . 428 26 26 U C5' C 64.624 0.056 . 429 26 26 U C6 C 142.037 0.05 . 430 26 26 U N3 N 161.826 0.05 . 431 27 27 A H1' H 6.051 0.003 . 432 27 27 A H2 H 7.131 0.003 . 433 27 27 A H2' H 4.502 0.008 . 434 27 27 A H3' H 4.683 0.012 . 435 27 27 A H4' H 4.563 0.005 . 436 27 27 A H5' H 4.575 0.008 . 437 27 27 A H5'' H 4.205 0.002 . 438 27 27 A H8 H 8.220 0.003 . 439 27 27 A H61 H 7.944 0.05 . 440 27 27 A H62 H 6.293 0.05 . 441 27 27 A C1' C 92.844 0.05 . 442 27 27 A C2 C 153.180 0.05 . 443 27 27 A C2' C 75.759 0.05 . 444 27 27 A C3' C 72.876 0.05 . 445 27 27 A C4' C 82.175 0.05 . 446 27 27 A C5' C 65.400 0.015 . 447 27 27 A C8 C 139.905 0.05 . 448 27 27 A N1 N 222.859 0.05 . 449 27 27 A N6 N 82.943 0.05 . 450 28 28 U H1' H 5.505 0.011 . 451 28 28 U H2' H 4.154 0.006 . 452 28 28 U H3 H 14.102 0.064 . 453 28 28 U H3' H 4.068 0.05 . 454 28 28 U H4' H 4.244 0.004 . 455 28 28 U H5 H 5.071 0.001 . 456 28 28 U H5' H 4.280 0.05 . 457 28 28 U H6 H 7.674 0.007 . 458 28 28 U C1' C 93.073 0.05 . 459 28 28 U C2' C 75.728 0.05 . 460 28 28 U C3' C 72.596 0.05 . 461 28 28 U C4' C 81.950 0.05 . 462 28 28 U C5 C 100.468 0.05 . 463 28 28 U C5' C 65.348 0.05 . 464 28 28 U C6 C 141.500 0.05 . 465 28 28 U N3 N 162.093 0.05 . 466 29 29 C H1' H 5.876 0.004 . 467 29 29 C H2' H 3.999 0.007 . 468 29 29 C H3' H 4.208 0.001 . 469 29 29 C H4' H 4.169 0.002 . 470 29 29 C H5 H 5.634 0.011 . 471 29 29 C H5' H 4.447 0.05 . 472 29 29 C H5'' H 4.027 0.001 . 473 29 29 C H6 H 7.715 0.004 . 474 29 29 C C1' C 92.217 0.05 . 475 29 29 C C2' C 77.313 0.05 . 476 29 29 C C3' C 70.191 0.05 . 477 29 29 C C4' C 83.503 0.05 . 478 29 29 C C5 C 95.793 0.05 . 479 29 29 C C6 C 142.300 0.05 . 480 29 29 C N3 N 187.134 0.05 . stop_ save_