data_4226 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Lead-Dependent Ribozyme ; _BMRB_accession_number 4226 _BMRB_flat_file_name bmr4226.str _Entry_type original _Submission_date 1998-08-19 _Accession_date 1998-08-19 _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 Hoogstraten C. G. . 2 Legault P. . . 3 Pardi A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 278 "13C chemical shifts" 206 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-12-23 original author . stop_ _Original_release_date 1999-12-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Order, Dynamics, and Metal-Binding in the Lead-Dependent Ribozyme' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99033050 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Legault P. . . 2 Hoogstraten C. G. . 3 Metlitzky E. . . 4 Pardi A. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 284 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 325 _Page_last 335 _Year 1998 _Details ; Solution structure of the leadzyme reported in accompanying paper in same issue, Hoogstraten et al. ; loop_ _Keyword 'Catalytic RNA' 'internal loops' leadzyme 'NMR spectroscopy' 'RNA structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_leadzyme _Saveframe_category molecular_system _Mol_system_name 'lead-dependent ribozyme' _Abbreviation_common leadzyme _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'lead-dependent ribozyme' $leadzyme stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'Molecule was derived using in vitro selection and is not found in nature.' save_ ######################## # Monomeric polymers # ######################## save_leadzyme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'lead-dependent ribozyme' _Abbreviation_common leadzyme _Molecular_mass . _Mol_thiol_state . _Details ; Adenine 25 is protonated at the N1 site under the experimental conditions. Scissile phosphodiester bond is located between Cyt 6 and Gua 7 ; ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; GCGACCGAGCCAGCGAAAGU UGGGAGUCGC ; loop_ _Residue_seq_code _Residue_label 1 G 2 C 3 G 4 A 5 C 6 C 7 G 8 A 9 G 10 C 11 C 12 A 13 G 14 C 15 G 16 A 17 A 18 A 19 G 20 U 21 U 22 G 23 G 24 G 25 A 26 G 27 U 28 C 29 G 30 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 $leadzyme . . . . . . 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 $leadzyme 'cell free synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Sample annealed by 2 min @ 65 C, 5 min on ice prior to each use. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $leadzyme 1.2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM . 'sodium chloride' 100 mM . EDTA 0.2 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version '2.3.0, 95.0' loop_ _Task 'Data Processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ save_NMR_spectrometer3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_CPMG-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name CPMG-NOESY _Sample_label $sample_1 save_ save_BD-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name BD-NOESY _Sample_label $sample_1 save_ save_CBD-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBD-NOESY _Sample_label $sample_1 save_ save_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label $sample_1 save_ save_CBD-NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBD-NOESY-HSQC _Sample_label $sample_1 save_ save_HMQC-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-NOESY-HSQC _Sample_label $sample_1 save_ save_HCCH-E.COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-E.COSY _Sample_label $sample_1 save_ save_directed_HCC-TOCSY-CCH-E.COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'directed HCC-TOCSY-CCH-E.COSY' _Sample_label $sample_1 save_ save_spin-echo_difference_CT-HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'spin-echo difference CT-HCCH-COSY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CPMG-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name BD-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBD-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBD-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-E.COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'directed HCC-TOCSY-CCH-E.COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'spin-echo difference CT-HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH* 5.5 0.2 n/a pressure 1 . atm temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label TSP C 13 'methyl carbons' ppm 0.00 external direct cylindrical external_to_the_sample parallel_to_Bo $entry_citation $entry_citation H2O H 1 proton ppm 4.80 internal direct cylindrical internal parallel_to_Bo $entry_citation $entry_citation NH3 N 15 nitrogen ppm 0.00 external direct cylindrical external_to_the_sample parallel_to_Bo $entry_citation $entry_citation 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_chem_shift_sets _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'lead-dependent ribozyme' _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 G H8 H 8.20 . 1 2 . 1 G H1' H 5.78 . 1 3 . 1 G H2' H 4.86 . 1 4 . 1 G H3' H 4.75 . 1 5 . 1 G H4' H 4.56 . 1 6 . 1 G H5' H 4.28 . 2 7 . 1 G H5'' H 4.46 . 2 8 . 1 G H1 H 13.23 . 1 9 . 1 G N1 N 146.9 . 1 10 . 1 G N7 N 230.7 . 1 11 . 1 G N9 N 166.9 . 1 12 . 1 G C1' C 91.9 . 1 13 . 1 G C2' C 74.9 . 1 14 . 1 G C3' C 74.7 . 1 15 . 1 G C4' C 83.9 . 1 16 . 1 G C5' C 67.0 . 1 17 . 1 G C8 C 139.4 . 1 18 . 2 C H6 H 7.85 . 1 19 . 2 C H5 H 5.40 . 1 20 . 2 C H1' H 5.70 . 1 21 . 2 C H2' H 4.69 . 1 22 . 2 C H3' H 4.59 . 1 23 . 2 C H4' H 4.52 . 1 24 . 2 C H5' H 4.30 . 2 25 . 2 C H5'' H 4.55 . 2 26 . 2 C H41 H 6.89 . 2 27 . 2 C H42 H 8.59 . 2 28 . 2 C N4 N 96.6 . 1 29 . 2 C N1 N 149.5 . 1 30 . 2 C C1' C 94.1 . 1 31 . 2 C C2' C 75.6 . 1 32 . 2 C C3' C 72.8 . 1 33 . 2 C C4' C 82.5 . 1 34 . 2 C C5' C 65.8 . 1 35 . 2 C C5 C 97.9 . 1 36 . 2 C C4 C 168.6 . 1 37 . 2 C C6 C 141.8 . 1 38 . 3 G H8 H 7.63 . 1 39 . 3 G H1' H 5.75 . 1 40 . 3 G H2' H 4.62 . 1 41 . 3 G H3' H 4.64 . 1 42 . 3 G H4' H 4.53 . 1 43 . 3 G H5' H 4.19 . 2 44 . 3 G H5'' H 4.53 . 2 45 . 3 G H1 H 12.26 . 1 46 . 3 G H21 H 6.6 . 1 47 . 3 G H22 H 6.6 . 1 48 . 3 G N1 N 144.8 . 1 49 . 3 G N2 N 72.8 . 1 50 . 3 G N7 N 233.4 . 1 51 . 3 G N9 N 167.7 . 1 52 . 3 G C1' C 93.2 . 1 53 . 3 G C2' C 75.7 . 1 54 . 3 G C3' C 73.3 . 1 55 . 3 G C4' C 82.5 . 1 56 . 3 G C5' C 66.4 . 1 57 . 3 G C8 C 136.4 . 1 58 . 4 A H8 H 7.90 . 1 59 . 4 A H2 H 7.76 . 1 60 . 4 A H1' H 5.96 . 1 61 . 4 A H2' H 4.59 . 1 62 . 4 A H3' H 4.62 . 1 63 . 4 A H4' H 4.52 . 1 64 . 4 A H5' H 4.63 . 2 65 . 4 A H5'' H 4.14 . 2 66 . 4 A H61 H 6.72 . 2 67 . 4 A H62 H 8.11 . 2 68 . 4 A N6 N 83.9 . 1 69 . 4 A N1 N 210.5 . 1 70 . 4 A N3 N 221.7 . 1 71 . 4 A N7 N 228.2 . 1 72 . 4 A N9 N 169.5 . 1 73 . 4 A C1' C 93.1 . 1 74 . 4 A C2' C 75.9 . 1 75 . 4 A C3' C 72.8 . 1 76 . 4 A C4' C 82.3 . 1 77 . 4 A C5' C 65.2 . 1 78 . 4 A C2 C 154.3 . 1 79 . 4 A C8 C 139.5 . 1 80 . 5 C H6 H 7.29 . 1 81 . 5 C H5 H 5.15 . 1 82 . 5 C H1' H 5.33 . 1 83 . 5 C H2' H 4.42 . 1 84 . 5 C H3' H 4.18 . 1 85 . 5 C H4' H 4.39 . 1 86 . 5 C H5' H 4.48 . 2 87 . 5 C H5'' H 4.03 . 2 88 . 5 C H41 H 7.16 . 2 89 . 5 C H42 H 8.23 . 2 90 . 5 C N4 N 97.2 . 1 91 . 5 C N1 N 149.8 . 1 92 . 5 C C1' C 94.1 . 1 93 . 5 C C2' C 75.7 . 1 94 . 5 C C3' C 72.5 . 1 95 . 5 C C4' C 82.2 . 1 96 . 5 C C5' C 65.1 . 1 97 . 5 C C5 C 97.5 . 1 98 . 5 C C4 C 168.0 . 1 99 . 5 C C6 C 140.5 . 1 100 . 6 C H6 H 7.78 . 1 101 . 6 C H5 H 5.63 . 1 102 . 6 C H1' H 5.65 . 1 103 . 6 C H2' H 4.19 . 1 104 . 6 C H3' H 4.44 . 1 105 . 6 C H4' H 4.32 . 1 106 . 6 C H5' H 4.46 . 2 107 . 6 C H5'' H 4.08 . 2 108 . 6 C H41 H 7.53 . 1 109 . 6 C H42 H 7.53 . 1 110 . 6 C N4 N 96.8 . 1 111 . 6 C N1 N 150.6 . 1 112 . 6 C C1' C 94.3 . 1 113 . 6 C C2' C 76.1 . 1 114 . 6 C C3' C 73.1 . 1 115 . 6 C C4' C 82.7 . 1 116 . 6 C C5' C 65.2 . 1 117 . 6 C C5 C 98.8 . 1 118 . 6 C C4 C 167.2 . 1 119 . 6 C C6 C 141.4 . 1 120 . 7 G H8 H 7.71 . 1 121 . 7 G H1' H 5.50 . 1 122 . 7 G H2' H 4.50 . 1 123 . 7 G H3' H 4.66 . 1 124 . 7 G H4' H 4.42 . 1 125 . 7 G H5' H 4.10 . 2 126 . 7 G H5'' H 4.36 . 2 127 . 7 G N7 N 235.5 . 1 128 . 7 G N9 N 165.6 . 1 129 . 7 G C1' C 90.2 . 1 130 . 7 G C2' C 75.6 . 1 131 . 7 G C3' C 77.6 . 1 132 . 7 G C4' C 85.8 . 1 133 . 7 G C5' C 67.5 . 1 134 . 7 G C8 C 139.8 . 1 135 . 8 A H8 H 8.27 . 1 136 . 8 A H2 H 7.99 . 1 137 . 8 A H1' H 5.93 . 1 138 . 8 A H2' H 4.66 . 1 139 . 8 A H3' H 4.78 . 1 140 . 8 A H4' H 4.49 . 1 141 . 8 A H5' H 4.16 . 2 142 . 8 A H5'' H 4.24 . 2 143 . 8 A H61 H 6.83 . 1 144 . 8 A H62 H 6.83 . 1 145 . 8 A N6 N 78.9 . 1 146 . 8 A N1 N 215.7 . 1 147 . 8 A N3 N 220.5 . 1 148 . 8 A N7 N 230.9 . 1 149 . 8 A N9 N 167.4 . 1 150 . 8 A C1' C 90.6 . 1 151 . 8 A C2' C 76.9 . 1 152 . 8 A C3' C 77.1 . 1 153 . 8 A C4' C 85.3 . 1 154 . 8 A C5' C 67.7 . 1 155 . 8 A C2 C 154.9 . 1 156 . 8 A C8 C 142.0 . 1 157 . 9 G H8 H 7.92 . 1 158 . 9 G H1' H 5.80 . 1 159 . 9 G H2' H 4.79 . 1 160 . 9 G H3' H 4.76 . 1 161 . 9 G H4' H 4.61 . 1 162 . 9 G H5' H 4.22 . 2 163 . 9 G H5'' H 4.36 . 2 164 . 9 G N7 N 234.2 . 1 165 . 9 G N9 N 166.0 . 1 166 . 9 G C1' C 90.6 . 1 167 . 9 G C2' C 75.6 . 1 168 . 9 G C3' C 76.7 . 1 169 . 9 G C4' C 85.0 . 1 170 . 9 G C5' C 67.7 . 1 171 . 9 G C8 C 139.9 . 1 172 . 10 C H6 H 7.91 . 1 173 . 10 C H5 H 5.70 . 1 174 . 10 C H1' H 5.48 . 1 175 . 10 C H2' H 4.43 . 1 176 . 10 C H3' H 4.53 . 1 177 . 10 C H4' H 4.50 . 1 178 . 10 C H5' H 4.22 . 2 179 . 10 C H5'' H 4.48 . 2 180 . 10 C H41 H 6.96 . 2 181 . 10 C H42 H 8.34 . 2 182 . 10 C N4 N 95.6 . 1 183 . 10 C N1 N 152.1 . 1 184 . 10 C C1' C 94.6 . 1 185 . 10 C C2' C 75.6 . 1 186 . 10 C C3' C 73.1 . 1 187 . 10 C C4' C 82.7 . 1 188 . 10 C C5' C 66.1 . 1 189 . 10 C C5 C 98.3 . 1 190 . 10 C C4 C 168.7 . 1 191 . 10 C C6 C 142.5 . 1 192 . 11 C H6 H 7.88 . 1 193 . 11 C H5 H 5.59 . 1 194 . 11 C H1' H 5.50 . 1 195 . 11 C H2' H 4.53 . 1 196 . 11 C H3' H 4.46 . 1 197 . 11 C H4' H 4.46 . 1 198 . 11 C H5' H 4.17 . 5 199 . 11 C H5'' H 4.59 . 5 200 . 11 C H41 H 6.99 . 2 201 . 11 C H42 H 8.35 . 2 202 . 11 C N4 N 96.4 . 1 203 . 11 C N1 N 149.5 . 1 204 . 11 C C1' C 94.2 . 1 205 . 11 C C2' C 75.6 . 1 206 . 11 C C3' C 71.9 . 1 207 . 11 C C4' C 82.2 . 1 208 . 11 C C5' C 64.9 . 5 209 . 11 C C5 C 98.2 . 1 210 . 11 C C4 C 168.8 . 1 211 . 11 C C6 C 141.5 . 1 212 . 12 A H8 H 8.09 . 1 213 . 12 A H2 H 6.89 . 1 214 . 12 A H1' H 6.00 . 1 215 . 12 A H2' H 4.64 . 1 216 . 12 A H3' H 4.76 . 1 217 . 12 A H4' H 4.54 . 1 218 . 12 A H5' H 4.20 . 2 219 . 12 A H5'' H 4.59 . 2 220 . 12 A H61 H 6.40 . 2 221 . 12 A H62 H 7.82 . 2 222 . 12 A N6 N 82.2 . 1 223 . 12 A N1 N 212.1 . 1 224 . 12 A N3 N 218.7 . 1 225 . 12 A N7 N 229.2 . 1 226 . 12 A N9 N 169.2 . 1 227 . 12 A C1' C 92.6 . 1 228 . 12 A C2' C 76.3 . 1 229 . 12 A C3' C 73.3 . 1 230 . 12 A C4' C 82.2 . 1 231 . 12 A C5' C 65.6 . 1 232 . 12 A C2 C 152.5 . 1 233 . 12 A C8 C 139.8 . 1 234 . 13 G H8 H 7.00 . 1 235 . 13 G H1' H 5.65 . 1 236 . 13 G H2' H 4.48 . 1 237 . 13 G H3' H 4.25 . 1 238 . 13 G H4' H 4.47 . 1 239 . 13 G H5' H 4.05 . 2 240 . 13 G H5'' H 4.40 . 2 241 . 13 G H1 H 11.59 . 1 242 . 13 G H21 H 6.37 . 1 243 . 13 G H22 H 6.37 . 1 244 . 13 G N1 N 143.2 . 1 245 . 13 G N2 N 71.5 . 1 246 . 13 G N7 N 232.8 . 1 247 . 13 G N9 N 168.0 . 1 248 . 13 G C1' C 93.5 . 1 249 . 13 G C2' C 75.7 . 1 250 . 13 G C3' C 73.3 . 1 251 . 13 G C4' C 82.6 . 1 252 . 13 G C5' C 66.7 . 1 253 . 13 G C8 C 136.4 . 1 254 . 14 C H6 H 7.40 . 1 255 . 14 C H5 H 5.12 . 1 256 . 14 C H1' H 5.51 . 1 257 . 14 C H2' H 4.42 . 1 258 . 14 C H3' H 4.49 . 1 259 . 14 C H4' H 4.37 . 1 260 . 14 C H5' H 4.09 . 5 261 . 14 C H5'' H 4.47 . 5 262 . 14 C H41 H 6.79 . 2 263 . 14 C H42 H 8.22 . 2 264 . 14 C N4 N 99.0 . 1 265 . 14 C N1 N 149.1 . 1 266 . 14 C C1' C 94.0 . 1 267 . 14 C C2' C 76.1 . 1 268 . 14 C C3' C 72.3 . 1 269 . 14 C C4' C 82.2 . 1 270 . 14 C C5' C 64.5 . 5 271 . 14 C C5 C 98.0 . 1 272 . 14 C C4 C 168.0 . 1 273 . 14 C C6 C 139.6 . 1 274 . 15 G H8 H 7.50 . 1 275 . 15 G H1' H 5.77 . 1 276 . 15 G H2' H 4.49 . 1 277 . 15 G H3' H 4.71 . 1 278 . 15 G H4' H 4.41 . 1 279 . 15 G H5' H 4.18 . 2 280 . 15 G H5'' H 4.46 . 2 281 . 15 G H1 H 10.64 . 1 282 . 15 G N1 N 144.3 . 1 283 . 15 G N7 N 234.7 . 1 284 . 15 G N9 N 168.9 . 1 285 . 15 G C1' C 93.5 . 1 286 . 15 G C2' C 76.3 . 1 287 . 15 G C3' C 72.9 . 1 288 . 15 G C4' C 82.6 . 1 289 . 15 G C5' C 66.8 . 1 290 . 15 G C8 C 136.4 . 1 291 . 16 A H8 H 8.42 . 1 292 . 16 A H2 H 7.82 . 1 293 . 16 A H1' H 5.72 . 1 294 . 16 A H2' H 4.79 . 1 295 . 16 A H3' H 4.49 . 1 296 . 16 A H4' H 4.27 . 1 297 . 16 A H5' H 3.98 . 2 298 . 16 A H5'' H 4.27 . 2 299 . 16 A H61 H 6.55 . 1 300 . 16 A H62 H 6.55 . 1 301 . 16 A N6 N 78.0 . 1 302 . 16 A N1 N 214.9 . 1 303 . 16 A N3 N 222.5 . 1 304 . 16 A N7 N 228.1 . 1 305 . 16 A N9 N 167.9 . 1 306 . 16 A C1' C 92.2 . 1 307 . 16 A C2' C 76.0 . 1 308 . 16 A C3' C 74.2 . 1 309 . 16 A C4' C 84.1 . 1 310 . 16 A C5' C 65.3 . 1 311 . 16 A C2 C 154.4 . 1 312 . 16 A C8 C 142.6 . 1 313 . 17 A H8 H 7.96 . 1 314 . 17 A H2 H 7.78 . 1 315 . 17 A H1' H 5.45 . 1 316 . 17 A H2' H 4.33 . 1 317 . 17 A H3' H 4.57 . 1 318 . 17 A H4' H 4.25 . 1 319 . 17 A H5' H 3.88 . 2 320 . 17 A H5'' H 3.90 . 2 321 . 17 A H61 H 6.5 . 1 322 . 17 A H62 H 6.5 . 1 323 . 17 A N6 N 79.5 . 1 324 . 17 A N1 N 214.0 . 1 325 . 17 A N3 N 223.7 . 1 326 . 17 A N7 N 226.7 . 1 327 . 17 A N9 N 168.7 . 1 328 . 17 A C1' C 92.7 . 1 329 . 17 A C2' C 76.8 . 1 330 . 17 A C3' C 74.9 . 1 331 . 17 A C4' C 83.9 . 1 332 . 17 A C5' C 65.7 . 1 333 . 17 A C2 C 154.5 . 1 334 . 17 A C8 C 140.6 . 1 335 . 18 A H8 H 8.20 . 1 336 . 18 A H2 H 8.10 . 1 337 . 18 A H1' H 6.06 . 1 338 . 18 A H2' H 4.52 . 1 339 . 18 A H3' H 5.16 . 1 340 . 18 A H4' H 4.48 . 1 341 . 18 A H5' H 4.35 . 2 342 . 18 A H5'' H 4.52 . 2 343 . 18 A H61 H 6.9 . 1 344 . 18 A H62 H 6.9 . 1 345 . 18 A N6 N 80.2 . 1 346 . 18 A N3 N 224.6 . 1 347 . 18 A N7 N 229.8 . 1 348 . 18 A N9 N 171.5 . 1 349 . 18 A C1' C 92.4 . 1 350 . 18 A C2' C 77.1 . 1 351 . 18 A C3' C 74.0 . 1 352 . 18 A C4' C 83.1 . 1 353 . 18 A C5' C 66.4 . 1 354 . 18 A C2 C 155.6 . 1 355 . 18 A C8 C 141.3 . 1 356 . 19 G H8 H 7.88 . 1 357 . 19 G H1' H 3.72 . 1 358 . 19 G H2' H 4.46 . 1 359 . 19 G H3' H 3.97 . 1 360 . 19 G H4' H 4.20 . 1 361 . 19 G H5' H 4.23 . 2 362 . 19 G H5'' H 4.34 . 2 363 . 19 G H1 H 13.09 . 1 364 . 19 G H21 H 6.38 . 2 365 . 19 G H22 H 8.69 . 2 366 . 19 G N1 N 146.3 . 1 367 . 19 G N2 N 74.2 . 1 368 . 19 G N7 N 232.5 . 1 369 . 19 G N9 N 168.3 . 1 370 . 19 G C1' C 93.4 . 1 371 . 19 G C2' C 74.6 . 1 372 . 19 G C3' C 74.6 . 1 373 . 19 G C4' C 83.4 . 1 374 . 19 G C5' C 69.9 . 1 375 . 19 G C8 C 137.6 . 1 376 . 20 U H6 H 7.66 . 1 377 . 20 U H5 H 5.35 . 1 378 . 20 U H1' H 5.52 . 1 379 . 20 U H2' H 4.15 . 1 380 . 20 U H3' H 4.50 . 1 381 . 20 U H4' H 4.40 . 1 382 . 20 U H5' H 4.02 . 2 383 . 20 U H5'' H 4.36 . 2 384 . 20 U H3 H 11.95 . 1 385 . 20 U N3 N 157.2 . 1 386 . 20 U N1 N 144.6 . 1 387 . 20 U C1' C 94.3 . 1 388 . 20 U C2' C 75.9 . 1 389 . 20 U C3' C 72.3 . 1 390 . 20 U C4' C 82.6 . 1 391 . 20 U C5' C 64.4 . 1 392 . 20 U C5 C 104.0 . 1 393 . 20 U C6 C 141.0 . 1 394 . 21 U H6 H 8.05 . 1 395 . 21 U H5 H 5.57 . 1 396 . 21 U H1' H 5.64 . 1 397 . 21 U H2' H 4.65 . 1 398 . 21 U H3' H 4.65 . 1 399 . 21 U H4' H 4.45 . 1 400 . 21 U H5' H 4.10 . 2 401 . 21 U H5'' H 4.56 . 2 402 . 21 U H3 H 13.73 . 1 403 . 21 U N3 N 160.9 . 1 404 . 21 U N1 N 145.2 . 1 405 . 21 U C1' C 93.2 . 1 406 . 21 U C2' C 75.6 . 1 407 . 21 U C3' C 72.8 . 1 408 . 21 U C4' C 82.1 . 1 409 . 21 U C5' C 64.8 . 1 410 . 21 U C5 C 104.0 . 1 411 . 21 U C6 C 142.9 . 1 412 . 22 G H8 H 7.63 . 1 413 . 22 G H1' H 5.75 . 1 414 . 22 G H2' H 4.58 . 1 415 . 22 G H3' H 4.54 . 1 416 . 22 G H4' H 4.53 . 1 417 . 22 G H5' H 4.19 . 2 418 . 22 G H5'' H 4.53 . 2 419 . 22 G H1 H 12.09 . 1 420 . 22 G H21 H 5.80 . 2 421 . 22 G H22 H 7.88 . 2 422 . 22 G N1 N 144.9 . 1 423 . 22 G N2 N 73.3 . 1 424 . 22 G N7 N 233.1 . 1 425 . 22 G N9 N 168.1 . 1 426 . 22 G C1' C 92.9 . 1 427 . 22 G C2' C 75.7 . 1 428 . 22 G C3' C 73.4 . 1 429 . 22 G C4' C 82.5 . 1 430 . 22 G C5' C 66.4 . 1 431 . 22 G C8 C 136.4 . 1 432 . 23 G H8 H 7.16 . 1 433 . 23 G H1' H 5.66 . 1 434 . 23 G H2' H 4.47 . 1 435 . 23 G H3' H 4.52 . 1 436 . 23 G H4' H 4.41 . 1 437 . 23 G H5' H 4.06 . 2 438 . 23 G H5'' H 4.51 . 2 439 . 23 G H1 H 12.97 . 1 440 . 23 G N1 N 146.5 . 1 441 . 23 G N7 N 232.6 . 1 442 . 23 G N9 N 167.7 . 1 443 . 23 G C1' C 93.2 . 1 444 . 23 G C2' C 75.7 . 1 445 . 23 G C3' C 73.1 . 1 446 . 23 G C4' C 82.7 . 1 447 . 23 G C5' C 65.4 . 1 448 . 23 G C8 C 136.3 . 1 449 . 24 G H8 H 7.58 . 1 450 . 24 G H1' H 5.71 . 1 451 . 24 G H2' H 4.68 . 1 452 . 24 G H3' H 4.73 . 1 453 . 24 G H4' H 4.53 . 1 454 . 24 G H5' H 4.15 . 2 455 . 24 G H5'' H 4.39 . 2 456 . 24 G N7 N 234.0 . 1 457 . 24 G N9 N 166.3 . 1 458 . 24 G C1' C 91.1 . 1 459 . 24 G C2' C 75.6 . 1 460 . 24 G C3' C 75.8 . 1 461 . 24 G C4' C 84.4 . 1 462 . 24 G C5' C 66.6 . 1 463 . 24 G C8 C 138.5 . 1 464 . 25 A H8 H 8.31 . 1 465 . 25 A H2 H 7.95 . 1 466 . 25 A H1' H 6.03 . 1 467 . 25 A H2' H 4.82 . 1 468 . 25 A H3' H 4.63 . 1 469 . 25 A H4' H 4.59 . 1 470 . 25 A H5' H 4.29 . 2 471 . 25 A H5'' H 4.50 . 2 472 . 25 A N3 N 218.4 . 1 473 . 25 A N7 N 232.6 . 1 474 . 25 A N9 N 173.6 . 1 475 . 25 A C1' C 92.9 . 1 476 . 25 A C2' C 75.8 . 1 477 . 25 A C3' C 74.1 . 1 478 . 25 A C4' C 83.4 . 1 479 . 25 A C5' C 67.2 . 1 480 . 25 A C2 C 148.5 . 1 481 . 25 A C8 C 143.0 . 1 482 . 26 G H8 H 7.28 . 1 483 . 26 G H1' H 5.50 . 1 484 . 26 G H2' H 4.46 . 1 485 . 26 G H3' H 4.46 . 1 486 . 26 G H4' H 4.48 . 1 487 . 26 G H5' H 4.14 . 2 488 . 26 G H5'' H 4.47 . 2 489 . 26 G H1 H 13.47 . 1 490 . 26 G H21 H 6.70 . 2 491 . 26 G H22 H 8.76 . 2 492 . 26 G N1 N 147.2 . 1 493 . 26 G N2 N 75.6 . 1 494 . 26 G N7 N 233.3 . 1 495 . 26 G N9 N 168.0 . 1 496 . 26 G C1' C 93.2 . 1 497 . 26 G C2' C 75.4 . 1 498 . 26 G C3' C 73.0 . 1 499 . 26 G C4' C 82.9 . 1 500 . 26 G C5' C 65.9 . 1 501 . 26 G C8 C 136.4 . 1 502 . 27 U H6 H 7.78 . 1 503 . 27 U H5 H 5.07 . 1 504 . 27 U H1' H 5.59 . 1 505 . 27 U H2' H 4.52 . 1 506 . 27 U H3' H 4.53 . 5 507 . 27 U H4' H 4.47 . 1 508 . 27 U H5' H 4.11 . 5 509 . 27 U H5'' H 4.56 . 5 510 . 27 U H3 H 14.45 . 1 511 . 27 U N3 N 161.4 . 1 512 . 27 U N1 N 145.5 . 1 513 . 27 U C1' C 94.1 . 1 514 . 27 U C2' C 75.6 . 1 515 . 27 U C3' C 72.4 . 1 516 . 27 U C4' C 82.3 . 1 517 . 27 U C5' C 64.7 . 5 518 . 27 U C5 C 102.7 . 1 519 . 27 U C6 C 142.0 . 1 520 . 28 C H6 H 7.85 . 1 521 . 28 C H5 H 5.67 . 1 522 . 28 C H1' H 5.59 . 1 523 . 28 C H2' H 4.54 . 1 524 . 28 C H3' H 4.53 . 5 525 . 28 C H4' H 4.47 . 1 526 . 28 C H5' H 4.12 . 5 527 . 28 C H5'' H 4.54 . 5 528 . 28 C H41 H 6.92 . 2 529 . 28 C H42 H 8.45 . 2 530 . 28 C N4 N 96.9 . 1 531 . 28 C N1 N 149.2 . 1 532 . 28 C C1' C 94.0 . 1 533 . 28 C C2' C 75.6 . 1 534 . 28 C C3' C 72.9 . 1 535 . 28 C C4' C 82.3 . 1 536 . 28 C C5' C 65.4 . 5 537 . 28 C C5 C 98.4 . 1 538 . 28 C C4 C 168.6 . 1 539 . 28 C C6 C 141.3 . 1 540 . 29 G H8 H 7.63 . 1 541 . 29 G H1' H 5.71 . 1 542 . 29 G H2' H 4.40 . 1 543 . 29 G H3' H 4.58 . 1 544 . 29 G H4' H 4.46 . 1 545 . 29 G H5' H 4.11 . 2 546 . 29 G H5'' H 4.55 . 2 547 . 29 G H1 H 13.02 . 1 548 . 29 G N1 N 145.8 . 1 549 . 29 G N7 N 233.6 . 1 550 . 29 G N9 N 167.7 . 1 551 . 29 G C1' C 93.3 . 1 552 . 29 G C2' C 75.6 . 1 553 . 29 G C3' C 72.8 . 1 554 . 29 G C4' C 82.5 . 1 555 . 29 G C5' C 65.6 . 1 556 . 29 G C8 C 136.4 . 1 557 . 30 C H6 H 7.53 . 1 558 . 30 C H5 H 5.28 . 1 559 . 30 C H1' H 5.75 . 1 560 . 30 C H2' H 3.99 . 1 561 . 30 C H3' H 4.17 . 1 562 . 30 C H4' H 4.18 . 1 563 . 30 C H5' H 4.04 . 2 564 . 30 C H5'' H 4.51 . 2 565 . 30 C H41 H 7.05 . 2 566 . 30 C H42 H 8.35 . 2 567 . 30 C N4 N 96.5 . 1 568 . 30 C N1 N 151.0 . 1 569 . 30 C C1' C 93.1 . 1 570 . 30 C C2' C 77.7 . 1 571 . 30 C C3' C 69.9 . 1 572 . 30 C C4' C 83.9 . 1 573 . 30 C C5' C 65.4 . 1 574 . 30 C C5 C 97.8 . 1 575 . 30 C C4 C 168.6 . 1 576 . 30 C C6 C 141.6 . 1 stop_ save_