data_26934 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of first stem-loop of Escherichia coli DsrA RNA ; _BMRB_accession_number 26934 _BMRB_flat_file_name bmr26934.str _Entry_type original _Submission_date 2016-11-04 _Accession_date 2016-11-04 _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 Wu Pengzhi . . 2 Wu Jihui . . 3 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 203 "13C chemical shifts" 140 "15N chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-26 original BMRB . stop_ _Original_release_date 2016-11-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The important conformational plasticity of DsrA sRNA for adapting multiple target regulation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28934467 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Pengzhi . . 2 Liu Xiaodan . . 3 Yang Lingna . . 4 Sun Yitong . . 5 Gong Qingguo . . 6 Wu Jihui . . 7 Shi Yunyu . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 45 _Journal_issue 16 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9625 _Page_last 9639 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'first stem-loop of DsrA RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (23-MER)' $RNA_(23-MER) 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_(23-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(23-MER) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; GGACAUCAGAUUUCCUGGUG UCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 C 5 A 6 U 7 C 8 A 9 G 10 A 11 U 12 U 13 U 14 C 15 C 16 U 17 G 18 G 19 U 20 G 21 U 22 C 23 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_(23-MER) 'E. coli' 562 Bacteria . Escherichia coli 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_(23-MER) 'enzymatic semisynthesis' . Escherichia coli . puC19 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_(23-MER) 0.7 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 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_(23-MER) 0.7 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 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_(23-MER) 0.7 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 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_(23-MER) 0.7 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 700 _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_1 save_ save_2D_1H-15N_HNN-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HNN-COSY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 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_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_2D_HCN_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCN' _Sample_label $sample_4 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 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' 60 . mM pH 6.5 . pH pressure 1 . atm temperature 283 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 60 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HNN-COSY' '2D 1H-15N HSQC NH2 only' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (23-MER)' _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 5.812 0.004 1 2 1 1 G H2' H 4.938 0.003 1 3 1 1 G H3' H 4.741 0.003 1 4 1 1 G H4' H 4.547 0.003 1 5 1 1 G H5' H 4.403 0.017 2 6 1 1 G H5'' H 4.261 0.008 2 7 1 1 G H8 H 8.134 0.000 1 8 1 1 G C1' C 91.292 0.025 1 9 1 1 G C2' C 74.926 0.042 1 10 1 1 G C3' C 74.704 0.052 1 11 1 1 G C4' C 83.487 0.122 1 12 1 1 G C5' C 67.001 0.088 1 13 1 1 G C8 C 139.069 0.000 1 14 2 2 G H1 H 12.589 0.000 1 15 2 2 G H1' H 5.886 0.004 1 16 2 2 G H2' H 4.637 0.012 1 17 2 2 G H3' H 4.621 0.003 1 18 2 2 G H4' H 4.580 0.003 1 19 2 2 G H5' H 4.458 0.095 2 20 2 2 G H5'' H 4.295 0.005 2 21 2 2 G H8 H 7.578 0.000 1 22 2 2 G C1' C 92.891 0.047 1 23 2 2 G C2' C 73.364 0.000 1 24 2 2 G C3' C 72.877 0.000 1 25 2 2 G C4' C 82.634 0.133 1 26 2 2 G C5' C 66.283 0.006 1 27 2 2 G C8 C 137.001 0.000 1 28 2 2 G N1 N 146.907 0.000 1 29 3 3 A H1' H 5.999 0.003 1 30 3 3 A H2 H 7.742 0.008 1 31 3 3 A H2' H 4.554 0.004 1 32 3 3 A H3' H 4.660 0.004 1 33 3 3 A H4' H 4.528 0.015 1 34 3 3 A H5' H 4.411 0.241 2 35 3 3 A H5'' H 4.156 0.030 2 36 3 3 A H8 H 7.891 0.000 1 37 3 3 A C1' C 92.903 0.097 1 38 3 3 A C2 C 153.945 0.000 1 39 3 3 A C2' C 75.604 0.167 1 40 3 3 A C3' C 72.504 0.180 1 41 3 3 A C4' C 81.938 0.269 1 42 3 3 A C5' C 64.693 0.014 1 43 3 3 A C8 C 141.438 0.000 1 44 3 3 A N1 N 222.298 0.000 1 45 4 4 C H1' H 5.357 0.003 1 46 4 4 C H2' H 4.478 0.000 1 47 4 4 C H3' H 4.422 0.000 1 48 4 4 C H4' H 4.420 0.003 1 49 4 4 C H5 H 5.250 0.000 1 50 4 4 C H5' H 4.509 0.000 2 51 4 4 C H5'' H 4.075 0.000 2 52 4 4 C H6 H 7.436 0.000 1 53 4 4 C H41 H 8.315 0.000 1 54 4 4 C H42 H 7.031 0.000 1 55 4 4 C C1' C 93.495 0.189 1 56 4 4 C C2' C 75.520 0.000 1 57 4 4 C C4' C 81.790 0.261 1 58 4 4 C C5 C 97.406 0.000 1 59 4 4 C C5' C 64.718 0.019 1 60 4 4 C C6 C 140.199 0.000 1 61 4 4 C N3 N 196.689 0.000 1 62 4 4 C N4 N 97.508 0.002 1 63 5 5 A H1' H 5.937 0.003 1 64 5 5 A H2 H 7.387 0.008 1 65 5 5 A H2' H 4.686 0.003 1 66 5 5 A H3' H 4.506 0.004 1 67 5 5 A H4' H 4.501 0.000 1 68 5 5 A H5' H 4.620 0.066 2 69 5 5 A H5'' H 4.127 0.003 2 70 5 5 A H8 H 7.924 0.000 1 71 5 5 A H61 H 7.856 0.000 1 72 5 5 A H62 H 6.460 0.000 1 73 5 5 A C1' C 93.205 0.171 1 74 5 5 A C2 C 153.225 0.000 1 75 5 5 A C2' C 75.421 0.160 1 76 5 5 A C3' C 72.602 0.182 1 77 5 5 A C4' C 81.978 0.277 1 78 5 5 A C5' C 65.090 0.013 1 79 5 5 A C8 C 139.299 0.000 1 80 5 5 A N1 N 221.168 0.000 1 81 5 5 A N6 N 84.598 0.002 1 82 6 6 U H1' H 5.279 0.003 1 83 6 6 U H2' H 4.015 0.003 1 84 6 6 U H3 H 11.809 0.000 1 85 6 6 U H3' H 4.475 0.004 1 86 6 6 U H4' H 4.393 0.010 1 87 6 6 U H5 H 5.383 0.000 1 88 6 6 U H5' H 4.375 0.141 2 89 6 6 U H5'' H 4.048 0.023 2 90 6 6 U H6 H 7.607 0.000 1 91 6 6 U C1' C 93.389 0.146 1 92 6 6 U C2' C 75.618 0.103 1 93 6 6 U C3' C 72.034 0.122 1 94 6 6 U C4' C 82.087 0.284 1 95 6 6 U C5 C 103.883 0.000 1 96 6 6 U C5' C 63.994 0.002 1 97 6 6 U N3 N 158.320 0.000 1 98 7 7 C H1' H 5.535 0.002 1 99 7 7 C H2' H 4.447 0.003 1 100 7 7 C H3' H 4.585 0.004 1 101 7 7 C H4' H 4.354 0.003 1 102 7 7 C H5 H 5.634 0.000 1 103 7 7 C H5'' H 4.085 0.001 2 104 7 7 C H6 H 7.897 0.000 1 105 7 7 C H41 H 8.372 0.000 1 106 7 7 C H42 H 6.807 0.000 1 107 7 7 C C1' C 93.497 0.095 1 108 7 7 C C3' C 72.377 0.123 1 109 7 7 C C4' C 81.644 0.109 1 110 7 7 C C5' C 64.540 0.041 1 111 7 7 C C6 C 142.439 0.000 1 112 7 7 C N3 N 195.843 0.000 1 113 7 7 C N4 N 98.132 0.004 1 114 8 8 A H1' H 5.839 0.006 1 115 8 8 A H2 H 7.029 0.006 1 116 8 8 A H2' H 4.509 0.123 1 117 8 8 A H3' H 4.642 0.018 1 118 8 8 A H4' H 4.482 0.005 1 119 8 8 A H5' H 4.405 0.181 2 120 8 8 A H5'' H 4.164 0.003 2 121 8 8 A H8 H 7.954 0.000 1 122 8 8 A C1' C 92.793 0.125 1 123 8 8 A C2 C 152.522 0.000 1 124 8 8 A C3' C 75.676 0.126 1 125 8 8 A C4' C 81.904 0.274 1 126 8 8 A C5' C 65.583 0.044 1 127 8 8 A C8 C 139.391 0.000 1 128 8 8 A N1 N 219.407 0.000 1 129 9 9 G H1 H 12.741 0.000 1 130 9 9 G H1' H 5.509 0.003 1 131 9 9 G H2' H 4.431 0.021 1 132 9 9 G H3' H 4.421 0.007 1 133 9 9 G H4' H 4.411 0.002 1 134 9 9 G H5' H 4.431 0.001 2 135 9 9 G H5'' H 4.048 0.004 2 136 9 9 G H8 H 7.086 0.000 1 137 9 9 G C1' C 92.522 0.104 1 138 9 9 G C2' C 73.009 0.123 1 139 9 9 G C3' C 72.488 0.111 1 140 9 9 G C4' C 82.341 0.000 1 141 9 9 G C5' C 65.762 0.046 1 142 9 9 G C8 C 135.765 0.000 1 143 9 9 G N1 N 146.937 0.000 1 144 10 10 A H1' H 5.831 0.007 1 145 10 10 A H2 H 7.872 0.006 1 146 10 10 A H2' H 4.431 0.005 1 147 10 10 A H3' H 4.656 0.024 1 148 10 10 A H4' H 4.423 0.023 1 149 10 10 A H5' H 4.288 0.127 2 150 10 10 A H5'' H 4.044 0.006 2 151 10 10 A H8 H 7.623 0.000 1 152 10 10 A H61 H 6.956 0.000 1 153 10 10 A C1' C 92.339 0.124 1 154 10 10 A C2 C 154.414 0.000 1 155 10 10 A C2' C 73.942 0.118 1 156 10 10 A C3' C 72.985 0.132 1 157 10 10 A C4' C 83.176 0.116 1 158 10 10 A C5' C 65.681 0.015 1 159 10 10 A C8 C 139.532 0.000 1 160 10 10 A N6 N 82.816 0.000 1 161 11 11 U H1' H 5.521 0.003 1 162 11 11 U H2' H 4.165 0.003 1 163 11 11 U H3' H 4.376 0.006 1 164 11 11 U H4' H 4.285 0.003 1 165 11 11 U H5 H 5.447 0.000 1 166 11 11 U H5' H 4.061 0.103 2 167 11 11 U H5'' H 3.977 0.004 2 168 11 11 U H6 H 7.508 0.000 1 169 11 11 U C1' C 91.168 0.092 1 170 11 11 U C2' C 75.608 0.049 1 171 11 11 U C3' C 75.780 0.127 1 172 11 11 U C4' C 84.381 0.135 1 173 11 11 U C5 C 104.400 0.000 1 174 11 11 U C5' C 66.340 0.101 1 175 11 11 U C6 C 142.280 0.000 1 176 12 12 U H1' H 5.828 0.003 1 177 12 12 U H2' H 4.260 0.030 1 178 12 12 U H3' H 4.556 0.003 1 179 12 12 U H4' H 4.362 0.032 1 180 12 12 U H5 H 5.672 0.000 1 181 12 12 U H5' H 4.045 0.003 2 182 12 12 U H5'' H 3.994 0.003 2 183 12 12 U H6 H 7.652 0.000 1 184 12 12 U C1' C 90.092 0.150 1 185 12 12 U C2' C 75.730 0.157 1 186 12 12 U C3' C 77.587 0.161 1 187 12 12 U C4' C 85.295 0.134 1 188 12 12 U C5 C 105.208 0.000 1 189 12 12 U C5' C 67.736 0.100 1 190 12 12 U C6 C 143.542 0.000 1 191 13 13 U H1' H 5.884 0.003 1 192 13 13 U H2' H 4.449 0.003 1 193 13 13 U H3' H 4.610 0.003 1 194 13 13 U H4' H 4.416 0.003 1 195 13 13 U H5 H 5.858 0.000 1 196 13 13 U H5' H 4.185 0.008 2 197 13 13 U H5'' H 4.094 0.003 2 198 13 13 U H6 H 7.749 0.000 1 199 13 13 U C1' C 91.274 0.134 1 200 13 13 U C2' C 75.247 0.086 1 201 13 13 U C3' C 76.303 0.136 1 202 13 13 U C4' C 84.767 0.140 1 203 13 13 U C5 C 105.242 0.000 1 204 13 13 U C5' C 67.778 0.085 1 205 13 13 U C6 C 143.815 0.000 1 206 14 14 C H1' H 6.056 0.003 1 207 14 14 C H2' H 4.497 0.002 1 208 14 14 C H3' H 4.705 0.004 1 209 14 14 C H4' H 4.547 0.003 1 210 14 14 C H5 H 6.106 0.000 1 211 14 14 C H5' H 4.304 0.003 2 212 14 14 C H5'' H 4.213 0.002 2 213 14 14 C H6 H 7.923 0.000 1 214 14 14 C H41 H 7.555 0.000 1 215 14 14 C H42 H 7.555 0.000 1 216 14 14 C C1' C 91.519 0.135 1 217 14 14 C C2' C 75.928 0.103 1 218 14 14 C C3' C 76.915 0.154 1 219 14 14 C C4' C 84.627 0.128 1 220 14 14 C C5 C 99.031 0.000 1 221 14 14 C C5' C 67.635 0.105 1 222 14 14 C C6 C 143.872 0.000 1 223 14 14 C N4 N 96.308 0.000 1 224 15 15 C H1' H 5.572 0.006 1 225 15 15 C H2' H 4.493 0.031 1 226 15 15 C H3' H 4.432 0.000 1 227 15 15 C H4' H 4.547 0.003 1 228 15 15 C H5 H 6.059 0.000 1 229 15 15 C H5' H 4.376 0.071 2 230 15 15 C H5'' H 4.250 0.005 2 231 15 15 C H6 H 7.948 0.000 1 232 15 15 C H41 H 8.376 0.000 1 233 15 15 C H42 H 7.100 0.000 1 234 15 15 C C1' C 94.810 0.084 1 235 15 15 C C2' C 75.091 0.007 1 236 15 15 C C3' C 73.584 0.027 1 237 15 15 C C4' C 82.840 0.194 1 238 15 15 C C5 C 98.543 0.000 1 239 15 15 C C5' C 67.262 0.009 1 240 15 15 C C6 C 142.484 0.000 1 241 15 15 C N3 N 198.033 0.000 1 242 15 15 C N4 N 96.404 0.003 1 243 16 16 U H1' H 5.556 0.004 1 244 16 16 U H2' H 4.655 0.003 1 245 16 16 U H3 H 13.352 0.000 1 246 16 16 U H3' H 4.656 0.000 1 247 16 16 U H4' H 4.457 0.000 1 248 16 16 U H5 H 5.524 0.000 1 249 16 16 U H5' H 4.605 0.003 2 250 16 16 U H5'' H 4.166 0.002 2 251 16 16 U H6 H 7.954 0.000 1 252 16 16 U C1' C 93.613 0.124 1 253 16 16 U C2' C 75.329 0.045 1 254 16 16 U C4' C 82.089 0.266 1 255 16 16 U C5 C 103.721 0.000 1 256 16 16 U C5' C 64.643 0.038 1 257 16 16 U C6 C 141.916 0.000 1 258 16 16 U N3 N 161.955 0.000 1 259 17 17 G H1 H 11.940 0.000 1 260 17 17 G H1' H 5.843 0.004 1 261 17 17 G H2' H 4.546 0.003 1 262 17 17 G H3' H 4.620 0.004 1 263 17 17 G H4' H 4.444 0.000 1 264 17 17 G H5' H 4.340 0.170 2 265 17 17 G H8 H 7.742 0.000 1 266 17 17 G H21 H 7.439 0.000 1 267 17 17 G C1' C 92.175 0.049 1 268 17 17 G C2' C 76.026 0.103 1 269 17 17 G C3' C 73.128 0.020 1 270 17 17 G C8 C 136.386 0.000 1 271 17 17 G N1 N 146.873 0.000 1 272 17 17 G N2 N 73.494 0.000 1 273 18 18 G H1 H 11.448 0.000 1 274 18 18 G H1' H 5.676 0.003 1 275 18 18 G H2' H 4.568 0.121 1 276 18 18 G H3' H 4.248 0.004 1 277 18 18 G H4' H 4.480 0.003 1 278 18 18 G H5' H 4.403 0.063 2 279 18 18 G H5'' H 4.059 0.004 2 280 18 18 G H8 H 7.124 0.000 1 281 18 18 G H21 H 6.393 0.000 1 282 18 18 G C1' C 93.407 0.144 1 283 18 18 G C2' C 75.118 0.156 1 284 18 18 G C3' C 73.145 0.145 1 285 18 18 G C4' C 82.151 0.221 1 286 18 18 G C5' C 66.264 0.010 1 287 18 18 G C8 C 136.761 0.000 1 288 18 18 G N1 N 144.549 0.000 1 289 18 18 G N2 N 73.808 0.000 1 290 19 19 U H1' H 5.494 0.004 1 291 19 19 U H2' H 4.558 0.003 1 292 19 19 U H3 H 13.679 0.000 1 293 19 19 U H3' H 4.422 0.001 1 294 19 19 U H4' H 4.561 0.000 1 295 19 19 U H5 H 5.216 0.000 1 296 19 19 U H5' H 4.469 0.075 2 297 19 19 U H5'' H 4.085 0.001 2 298 19 19 U H6 H 7.618 0.000 1 299 19 19 U C1' C 93.656 0.144 1 300 19 19 U C2' C 71.924 0.137 1 301 19 19 U C5 C 103.523 0.000 1 302 19 19 U C5' C 64.042 0.019 1 303 19 19 U N3 N 162.537 0.000 1 304 20 20 G H1 H 12.499 0.000 1 305 20 20 G H1' H 5.779 0.003 1 306 20 20 G H2' H 4.496 0.003 1 307 20 20 G H3' H 4.583 0.001 1 308 20 20 G H4' H 4.502 0.005 1 309 20 20 G H5' H 4.504 0.000 2 310 20 20 G H5'' H 4.127 0.005 2 311 20 20 G H8 H 7.702 0.000 1 312 20 20 G H21 H 8.114 0.000 1 313 20 20 G H22 H 6.183 0.000 1 314 20 20 G C1' C 92.923 0.095 1 315 20 20 G C2' C 75.273 0.159 1 316 20 20 G C4' C 82.035 0.197 1 317 20 20 G C5' C 65.331 0.086 1 318 20 20 G C8 C 136.271 0.000 1 319 20 20 G N1 N 147.140 0.000 1 320 20 20 G N2 N 75.342 0.002 1 321 21 21 U H1' H 5.537 0.002 1 322 21 21 U H2' H 4.481 0.007 1 323 21 21 U H3 H 14.317 0.001 1 324 21 21 U H4' H 4.291 0.000 1 325 21 21 U H5 H 5.094 0.000 1 326 21 21 U H5' H 4.478 0.000 2 327 21 21 U H5'' H 4.080 0.001 2 328 21 21 U H6 H 7.823 0.000 1 329 21 21 U C1' C 93.692 0.137 1 330 21 21 U C2' C 75.310 0.026 1 331 21 21 U C5 C 102.537 0.000 1 332 21 21 U C5' C 64.482 0.045 1 333 21 21 U C6 C 141.916 0.000 1 334 21 21 U N3 N 162.757 0.000 1 335 22 22 C H1' H 5.587 0.004 1 336 22 22 C H2' H 4.233 0.001 1 337 22 22 C H3' H 4.471 0.001 1 338 22 22 C H4' H 4.413 0.006 1 339 22 22 C H5 H 5.634 0.000 1 340 22 22 C H5' H 4.526 0.000 2 341 22 22 C H5'' H 4.072 0.004 2 342 22 22 C H6 H 7.894 0.000 1 343 22 22 C H41 H 8.467 0.000 1 344 22 22 C H42 H 7.025 0.000 1 345 22 22 C C1' C 94.159 0.176 1 346 22 22 C C2' C 75.698 0.086 1 347 22 22 C C4' C 81.554 0.000 1 348 22 22 C C5 C 97.531 0.000 1 349 22 22 C C5' C 64.533 0.026 1 350 22 22 C C6 C 141.939 0.000 1 351 22 22 C N3 N 197.917 0.000 1 352 22 22 C N4 N 99.078 0.003 1 353 23 23 C H1' H 5.719 0.003 1 354 23 23 C H2' H 4.064 0.193 1 355 23 23 C H3' H 4.195 0.094 1 356 23 23 C H4' H 4.151 0.005 1 357 23 23 C H5 H 5.520 0.000 1 358 23 23 C H5' H 4.333 0.225 2 359 23 23 C H5'' H 4.012 0.013 2 360 23 23 C H6 H 7.661 0.000 1 361 23 23 C H41 H 7.646 0.639 1 362 23 23 C H42 H 7.646 0.639 1 363 23 23 C C1' C 92.794 0.162 1 364 23 23 C C2' C 77.513 0.032 1 365 23 23 C C3' C 69.687 0.144 1 366 23 23 C C4' C 83.394 0.176 1 367 23 23 C C5 C 97.942 0.000 1 368 23 23 C C5' C 65.073 0.047 1 369 23 23 C C6 C 141.780 0.000 1 370 23 23 C N4 N 98.570 0.004 1 stop_ save_