data_4120 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of a Classical Pseudoknot: Interplay of Single- and Double-Stranded RNA ; _BMRB_accession_number 4120 _BMRB_flat_file_name bmr4120.str _Entry_type original _Submission_date 1998-03-05 _Accession_date 1998-03-05 _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 Kolk M. H. . 2 'Van der Graaf' M. . . 3 Wijmenga S. S. . 4 Pleij C. W.A. . 5 Heus H. A. . 6 Hilbers C. W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 339 "13C chemical shifts" 297 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-06-19 original author . stop_ _Original_release_date 2001-06-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of a Classical Pseudoknot: Interplay of Single- and Double-Stranded RNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9545221 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kolk M. H. . 2 'Van der Graaf' M. . . 3 Wijmenga S. S. . 4 Pleij C. W.A. . 5 Heus H. A. . 6 Hilbers C. W. . stop_ _Journal_abbreviation Science _Journal_volume 280 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 434 _Page_last 438 _Year 1998 _Details . loop_ _Keyword pseudoknot RNA TYMV stop_ save_ ################################## # Molecular system description # ################################## save_system_TYMV_pseudoknot _Saveframe_category molecular_system _Mol_system_name 'TYMV pseudoknot' _Abbreviation_common TYMV _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TYMV pseudoknot' $TYMV_pseudoknot stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TYMV_pseudoknot _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'TYMV pseudoknot' _Abbreviation_common TYMV _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GGGAGCUCAACUCUCCCCCC CUUUUCCGAGGGUCAUCGGA ACCA ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 G 6 C 7 U 8 C 9 A 10 A 11 C 12 U 13 C 14 U 15 C 16 C 17 C 18 C 19 C 20 C 21 C 22 U 23 U 24 U 25 U 26 C 27 C 28 G 29 A 30 G 31 G 32 G 33 U 34 C 35 A 36 U 37 C 38 G 39 G 40 A 41 A 42 C 43 C 44 A 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 $TYMV_pseudoknot TYMV 12154 . . Tymovirus 'Turnip yellow mosaic virus' 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 _Details $TYMV_pseudoknot 'enzymatic synthesis' . . . . . 'T7 RNA polymerase from a DNA plasmid template' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TYMV_pseudoknot . mM 1 2.5 . $TYMV_pseudoknot . mM 1 2.5 '[13C/15N adenine]' $TYMV_pseudoknot . mM 1 2.5 '[13C/15N uridine]' MgCl2 10 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AM _Field_strength 400 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITY+ _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_(13C-edited/X-filtered)NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name (13C-edited/X-filtered)NOESY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_(31P_spin_echo_difference)CTHSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '(31P spin echo difference)CTHSQC' _Sample_label . save_ save_PCH_4 _Saveframe_category NMR_applied_experiment _Experiment_name PCH _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CT-TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name CT-TOCSY-HSQC _Sample_label . save_ save_HNCCCH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCCCH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name (13C-edited/X-filtered)NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '(31P spin echo difference)CTHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name PCH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CT-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCCCH _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' 10 . mM pH 6.7 . n/a temperature 303 . 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 TSP C 13 'methyl protons' ppm 0 . indirect . . . TSP H 1 'methyl protons' ppm 0 . indirect . . . 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_set_1 _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 'TYMV pseudoknot' _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 C8 C 142.1 . . 2 . 1 G H8 H 8.03 . . 3 . 1 G C1' C 92.7 . . 4 . 1 G H1' H 5.65 . . 5 . 1 G C2' C 74.9 . . 6 . 1 G H2' H 4.50 . . 7 . 1 G C3' C 72.0 . . 8 . 1 G H3' H 4.12 . . 9 . 1 G C4' C 82.5 . . 10 . 1 G H4' H 4.23 . . 11 . 1 G C5' C 65.4 . . 12 . 1 G H5' H 4.07 . . 13 . 1 G H5'' H 3.99 . . 14 . 2 G C1' C 91.9 . . 15 . 2 G C2' C 75.7 . . 16 . 2 G H1' H 5.88 . . 17 . 2 G C3' C 72.4 . . 18 . 2 G H2' H 4.60 . . 19 . 2 G C4' C 82.3 . . 20 . 2 G H3' H 4.50 . . 21 . 2 G C5' C 66.1 . . 22 . 2 G H4' H 4.31 . . 23 . 2 G H5' H 4.20 . . 24 . 2 G H5'' H 4.15 . . 25 . 2 G C8 C 141.4 . . 26 . 2 G H8 H 7.49 . . 27 . 3 G C8 C 141.2 . . 28 . 3 G C1' C 92.2 . . 29 . 3 G H8 H 7.24 . . 30 . 3 G C2' C 76.1 . . 31 . 3 G C3' C 72.3 . . 32 . 3 G H1' H 5.77 . . 33 . 3 G C4' C 84.7 . . 34 . 3 G H2' H 4.50 . . 35 . 3 G C5' C 66.0 . . 36 . 3 G H3' H 4.09 . . 37 . 3 G H4' H 4.19 . . 38 . 3 G H5' H 4.10 . . 39 . 3 G H5'' H 4.08 . . 40 . 4 A C8 C 139.1 . . 41 . 4 A C2 C 153.7 . . 42 . 4 A C1' C 92.2 . . 43 . 4 A C2' C 75.0 . . 44 . 4 A H8 H 7.68 . . 45 . 4 A C3' C 72.0 . . 46 . 4 A H2 H 7.52 . . 47 . 4 A C4' C 81.2 . . 48 . 4 A H1' H 5.96 . . 49 . 4 A C5' C 65.8 . . 50 . 4 A H2' H 4.57 . . 51 . 4 A H3' H 4.53 . . 52 . 4 A H4' H 4.54 . . 53 . 4 A H5' H 4.28 . . 54 . 4 A H5'' H 4.11 . . 55 . 5 G C8 C 136.1 . . 56 . 5 G C1' C 92.2 . . 57 . 5 G C2' C 74.8 . . 58 . 5 G C3' C 71.8 . . 59 . 5 G H8 H 7.00 . . 60 . 5 G C4' C 85.7 . . 61 . 5 G C5' C 65.4 . . 62 . 5 G H1' H 5.63 . . 63 . 5 G H2' H 4.43 . . 64 . 5 G H3' H 4.40 . . 65 . 5 G H4' H 4.18 . . 66 . 5 G H5' H 4.18 . . 67 . 5 G H5'' H 4.07 . . 68 . 6 C C6 C 141.7 . . 69 . 6 C C5 C 96.5 . . 70 . 6 C C1' C 93.1 . . 71 . 6 C C2' C 76.0 . . 72 . 6 C C3' C 71.8 . . 73 . 6 C C4' C 82.2 . . 74 . 6 C H6 H 7.48 . . 75 . 6 C C5' C 64.0 . . 76 . 6 C H5 H 5.11 . . 77 . 6 C H1' H 5.64 . . 78 . 6 C H2' H 4.17 . . 79 . 6 C H3' H 4.42 . . 80 . 6 C H4' H 4.32 . . 81 . 6 C H5' H 4.32 . . 82 . 6 C H5'' H 4.17 . . 83 . 7 U C6 C 143.7 . . 84 . 7 U C5 C 104.5 . . 85 . 7 U C1' C 92.4 . . 86 . 7 U C2' C 74.8 . . 87 . 7 U C3' C 73.5 . . 88 . 7 U C4' C 83.1 . . 89 . 7 U C5' C 65.5 . . 90 . 7 U H6 H 7.89 . . 91 . 7 U H5 H 5.82 . . 92 . 7 U H1' H 5.88 . . 93 . 7 U H2' H 4.35 . . 94 . 7 U H3' H 4.65 . . 95 . 7 U H4' H 4.38 . . 96 . 7 U H5' H 4.14 . . 97 . 7 U H5'' H 4.13 . . 98 . 8 C C6 C 143.1 . . 99 . 8 C C5 C 97.7 . . 100 . 8 C C1' C 93.4 . . 101 . 8 C C2' C 75.1 . . 102 . 8 C C3' C 72.5 . . 103 . 8 C C4' C 82.3 . . 104 . 8 C C5' C 64.2 . . 105 . 8 C H6 H 7.74 . . 106 . 8 C H5 H 5.76 . . 107 . 8 C H1' H 5.50 . . 108 . 8 C H2' H 4.43 . . 109 . 8 C H3' H 4.30 . . 110 . 8 C H4' H 4.29 . . 111 . 8 C H5' H 4.08 . . 112 . 8 C H5'' H 3.98 . . 113 . 9 A C8 C 141.1 . . 114 . 9 A C2 C 154.9 . . 115 . 9 A C1' C 91.4 . . 116 . 9 A C2' C 75.4 . . 117 . 9 A C3' C 73.3 . . 118 . 9 A C4' C 82.4 . . 119 . 9 A C5' C 66.0 . . 120 . 9 A H8 H 8.05 . . 121 . 9 A H2 H 7.86 . . 122 . 9 A H1' H 6.02 . . 123 . 9 A H2' H 4.67 . . 124 . 9 A H3' H 4.87 . . 125 . 9 A H4' H 4.39 . . 126 . 9 A H5' H 4.30 . . 127 . 9 A H5'' H 4.26 . . 128 . 10 A C8 C 140.0 . . 129 . 10 A C2 C 154.9 . . 130 . 10 A C1' C 91.5 . . 131 . 10 A C2' C 75.0 . . 132 . 10 A C3' C 73.6 . . 133 . 10 A C4' C 82.9 . . 134 . 10 A C5' C 66.2 . . 135 . 10 A H8 H 7.66 . . 136 . 10 A H2 H 8.04 . . 137 . 10 A H1' H 5.36 . . 138 . 10 A H2' H 4.35 . . 139 . 10 A H3' H 4.52 . . 140 . 10 A H4' H 4.49 . . 141 . 10 A H5' H 4.35 . . 142 . 10 A H5'' H 4.33 . . 143 . 11 C C6 C 140.8 . . 144 . 11 C C5 C 97.0 . . 145 . 11 C C1' C 93.0 . . 146 . 11 C C2' C 75.5 . . 147 . 11 C C3' C 72.3 . . 148 . 11 C C4' C 81.9 . . 149 . 11 C C5' C 62.2 . . 150 . 11 C H6 H 7.29 . . 151 . 11 C H5 H 5.43 . . 152 . 11 C H1' H 5.36 . . 153 . 11 C H2' H 4.14 . . 154 . 11 C H3' H 4.33 . . 155 . 11 C H4' H 4.35 . . 156 . 11 C H5' H 4.11 . . 157 . 11 C H5'' H 4.06 . . 158 . 12 U C6 C 142.8 . . 159 . 12 U C5 C 105.0 . . 160 . 12 U C1' C 92.1 . . 161 . 12 U C2' C 74.7 . . 162 . 12 U C3' C 75.0 . . 163 . 12 U C4' C 84.1 . . 164 . 12 U C5' C 66.6 . . 165 . 12 U H6 H 7.78 . . 166 . 12 U H5 H 5.70 . . 167 . 12 U H1' H 5.74 . . 168 . 12 U H2' H 4.38 . . 169 . 12 U H3' H 4.65 . . 170 . 12 U H4' H 4.52 . . 171 . 12 U H5' H 4.17 . . 172 . 12 U H5'' H 4.10 . . 173 . 13 C H2' H 4.37 . . 174 . 13 C H3' H 4.65 . . 175 . 13 C H4' H 4.45 . . 176 . 13 C H5' H 4.18 . . 177 . 13 C H5'' H 4.12 . . 178 . 13 C C6 C 142.1 . . 179 . 13 C C5 C 97.7 . . 180 . 13 C C1' C 94.1 . . 181 . 13 C C2' C 74.9 . . 182 . 13 C C3' C 71.7 . . 183 . 13 C C4' C 81.9 . . 184 . 13 C C5' C 65.2 . . 185 . 13 C H6 H 8.01 . . 186 . 13 C H5 H 5.82 . . 187 . 13 C H1' H 5.56 . . 188 . 14 U H6 H 8.13 . . 189 . 14 U H5 H 5.50 . . 190 . 14 U H1' H 5.59 . . 191 . 14 U H2' H 4.46 . . 192 . 14 U H3' H 4.65 . . 193 . 14 U H4' H 4.48 . . 194 . 14 U H5' H 4.59 . . 195 . 14 U H5'' H 4.18 . . 196 . 14 U C6 C 143.1 . . 197 . 14 U C5 C 103.1 . . 198 . 14 U C1' C 93.3 . . 199 . 14 U C2' C 74.8 . . 200 . 14 U C3' C 71.6 . . 201 . 14 U C4' C 81.6 . . 202 . 14 U C5' C 63.9 . . 203 . 15 C C5 C 96.7 . . 204 . 15 C C1' C 93.1 . . 205 . 15 C C2' C 75.1 . . 206 . 15 C C3' C 71.8 . . 207 . 15 C C4' C 81.3 . . 208 . 15 C C5' C 65.4 . . 209 . 15 C H6 H 8.01 . . 210 . 15 C H5 H 5.65 . . 211 . 15 C H1' H 5.64 . . 212 . 15 C H2' H 4.29 . . 213 . 15 C H3' H 4.55 . . 214 . 15 C H4' H 4.44 . . 215 . 15 C H5' H 4.18 . . 216 . 15 C H5'' H 4.11 . . 217 . 15 C C6 C 142.1 . . 218 . 16 C C6 C 141.8 . . 219 . 16 C C5 C 97.2 . . 220 . 16 C C1' C 93.4 . . 221 . 16 C C2' C 74.9 . . 222 . 16 C C3' C 72.2 . . 223 . 16 C C4' C 81.3 . . 224 . 16 C C5' C 64.0 . . 225 . 16 C H6 H 7.88 . . 226 . 16 C H5 H 5.45 . . 227 . 16 C H1' H 5.47 . . 228 . 16 C H2' H 4.44 . . 229 . 16 C H3' H 4.47 . . 230 . 16 C H4' H 4.43 . . 231 . 16 C H5' H 4.12 . . 232 . 16 C H5'' H 4.09 . . 233 . 17 C C6 C 141.3 . . 234 . 17 C C5 C 97.2 . . 235 . 17 C C1' C 93.4 . . 236 . 17 C C2' C 75.5 . . 237 . 17 C C3' C 71.7 . . 238 . 17 C C4' C 81.3 . . 239 . 17 C C5' C 63.8 . . 240 . 17 C H6 H 7.80 . . 241 . 17 C H5 H 5.45 . . 242 . 17 C H1' H 5.85 . . 243 . 17 C H2' H 4.55 . . 244 . 17 C H3' H 4.45 . . 245 . 17 C H4' H 4.42 . . 246 . 17 C H5' H 4.20 . . 247 . 17 C H5'' H 4.08 . . 248 . 18 C C6 C 144.9 . . 249 . 18 C C5 C 98.5 . . 250 . 18 C C1' C 94.1 . . 251 . 18 C C2' C 75.7 . . 252 . 18 C C3' C 70.8 . . 253 . 18 C C4' C 84.0 . . 254 . 18 C C5' C 66.9 . . 255 . 18 C H6 H 7.59 . . 256 . 18 C H5 H 5.84 . . 257 . 18 C H1' H 5.59 . . 258 . 18 C H2' H 4.93 . . 259 . 18 C H3' H 4.38 . . 260 . 18 C H4' H 4.39 . . 261 . 18 C H5' H 4.16 . . 262 . 18 C H5'' H 4.06 . . 263 . 19 C C6 C 142.1 . . 264 . 19 C C5 C 98.5 . . 265 . 19 C C1' C 92.3 . . 266 . 19 C C2' C 75.9 . . 267 . 19 C C3' C 72.0 . . 268 . 19 C C4' C 86.3 . . 269 . 19 C C5' C 66.9 . . 270 . 19 C H6 H 8.02 . . 271 . 19 C H5 H 5.92 . . 272 . 19 C H1' H 5.92 . . 273 . 19 C H2' H 4.37 . . 274 . 19 C H3' H 4.50 . . 275 . 19 C H4' H 4.37 . . 276 . 19 C H5' H 4.17 . . 277 . 19 C H5'' H 4.13 . . 278 . 20 C C6 C 141.4 . . 279 . 20 C C5 C 97.1 . . 280 . 20 C C1' C 94.3 . . 281 . 20 C C2' C 74.3 . . 282 . 20 C C3' C 71.5 . . 283 . 20 C C4' C 83.6 . . 284 . 20 C C5' C 64.2 . . 285 . 20 C H6 H 7.43 . . 286 . 20 C H5 H 5.23 . . 287 . 20 C H1' H 5.52 . . 288 . 20 C H2' H 4.11 . . 289 . 20 C H3' H 4.43 . . 290 . 20 C H4' H 4.37 . . 291 . 20 C H5' H 4.19 . . 292 . 20 C H5'' H 4.10 . . 293 . 21 C C6 C 141.8 . . 294 . 21 C C5 C 96.7 . . 295 . 21 C C1' C 91.7 . . 296 . 21 C C2' C 75.4 . . 297 . 21 C C3' C 72.2 . . 298 . 21 C C4' C 82.7 . . 299 . 21 C C5' C 65.4 . . 300 . 21 C H6 H 7.86 . . 301 . 21 C H5 H 5.61 . . 302 . 21 C H1' H 5.81 . . 303 . 21 C H2' H 3.99 . . 304 . 21 C H3' H 4.22 . . 305 . 21 C H4' H 4.34 . . 306 . 21 C H5' H 4.12 . . 307 . 21 C H5'' H 4.09 . . 308 . 22 U C6 C 145.7 . . 309 . 22 U C5 C 104.7 . . 310 . 22 U C1' C 94.3 . . 311 . 22 U C2' C 83.0 . . 312 . 22 U C3' C 79.1 . . 313 . 22 U C4' C 86.0 . . 314 . 22 U C5' C 67.0 . . 315 . 22 U H6 H 7.58 . . 316 . 22 U H5 H 5.54 . . 317 . 22 U H1' H 5.92 . . 318 . 22 U H2' H 5.05 . . 319 . 22 U H3' H 4.95 . . 320 . 22 U H4' H 4.44 . . 321 . 22 U H5' H 4.23 . . 322 . 22 U H5'' H 4.14 . . 323 . 23 U C6 C 144.1 . . 324 . 23 U C5 C 105.2 . . 325 . 23 U C1' C 93.3 . . 326 . 23 U C2' C 74.8 . . 327 . 23 U C3' C 72.4 . . 328 . 23 U C4' C 82.0 . . 329 . 23 U C5' C 63.3 . . 330 . 23 U H6 H 7.95 . . 331 . 23 U H5 H 5.79 . . 332 . 23 U H1' H 5.74 . . 333 . 23 U H2' H 4.46 . . 334 . 23 U H3' H 4.52 . . 335 . 23 U H4' H 4.46 . . 336 . 23 U H5' H 4.37 . . 337 . 23 U H5'' H 4.16 . . 338 . 24 U C6 C 143.8 . . 339 . 24 U C5 C 104.5 . . 340 . 24 U C1' C 90.2 . . 341 . 24 U C2' C 75.8 . . 342 . 24 U C3' C 72.3 . . 343 . 24 U C4' C 85.1 . . 344 . 24 U C5' C 67.0 . . 345 . 24 U H6 H 8.04 . . 346 . 24 U H5 H 5.95 . . 347 . 24 U H1' H 6.03 . . 348 . 24 U H2' H 4.44 . . 349 . 24 U H3' H 4.55 . . 350 . 24 U H4' H 4.58 . . 351 . 24 U H5' H 4.31 . . 352 . 24 U H5'' H 4.25 . . 353 . 25 U C6 C 143.6 . . 354 . 25 U C5 C 105.0 . . 355 . 25 U C1' C 92.7 . . 356 . 25 U C2' C 74.8 . . 357 . 25 U C3' C 73.3 . . 358 . 25 U C4' C 83.0 . . 359 . 25 U C5' C 65.3 . . 360 . 25 U H6 H 7.76 . . 361 . 25 U H5 H 5.79 . . 362 . 25 U H1' H 5.69 . . 363 . 25 U H2' H 4.55 . . 364 . 25 U H3' H 4.71 . . 365 . 25 U H4' H 4.49 . . 366 . 25 U H5' H 4.33 . . 367 . 25 U H5'' H 4.16 . . 368 . 26 C C6 C 142.4 . . 369 . 26 C C5 C 96.6 . . 370 . 26 C C1' C 93.4 . . 371 . 26 C C2' C 74.8 . . 372 . 26 C C3' C 72.8 . . 373 . 26 C C4' C 81.3 . . 374 . 26 C C5' C 65.2 . . 375 . 26 C H6 H 7.96 . . 376 . 26 C H5 H 5.57 . . 377 . 26 C H1' H 5.56 . . 378 . 26 C H2' H 4.46 . . 379 . 26 C H3' H 4.30 . . 380 . 26 C H4' H 4.41 . . 381 . 26 C H5' H 4.12 . . 382 . 26 C H5'' H 4.12 . . 383 . 27 C C6 C 142.3 . . 384 . 27 C C5 C 98.5 . . 385 . 27 C C1' C 95.8 . . 386 . 27 C C2' C 78.9 . . 387 . 27 C C3' C 72.0 . . 388 . 27 C C4' C 83.9 . . 389 . 27 C C5' C 66.9 . . 390 . 27 C H6 H 7.77 . . 391 . 27 C H5 H 5.91 . . 392 . 27 C H1' H 5.93 . . 393 . 27 C H2' H 4.43 . . 394 . 27 C H3' H 4.21 . . 395 . 27 C H4' H 4.36 . . 396 . 27 C H5' H 4.10 . . 397 . 27 C H5'' H 4.10 . . 398 . 28 G C8 C 143.0 . . 399 . 28 G C2' C 74.9 . . 400 . 28 G C3' C 72.0 . . 401 . 28 G C4' C 81.2 . . 402 . 28 G C5' C 65.3 . . 403 . 28 G H8 H 7.70 . . 404 . 28 G H1' H 5.64 . . 405 . 28 G H2' H 4.50 . . 406 . 28 G H3' H 4.50 . . 407 . 28 G H4' H 4.43 . . 408 . 28 G H5' H 4.12 . . 409 . 28 G H5'' H 4.12 . . 410 . 29 A C8 C 141.1 . . 411 . 29 A C2 C 153.9 . . 412 . 29 A C1' C 90.5 . . 413 . 29 A C2' C 74.5 . . 414 . 29 A C3' C 72.0 . . 415 . 29 A C4' C 83.4 . . 416 . 29 A C5' C 66.0 . . 417 . 29 A H8 H 8.23 . . 418 . 29 A H2 H 7.64 . . 419 . 29 A H1' H 5.97 . . 420 . 29 A H2' H 4.66 . . 421 . 29 A H3' H 4.46 . . 422 . 29 A H4' H 4.45 . . 423 . 29 A H5' H 4.44 . . 424 . 29 A H5'' H 4.44 . . 425 . 30 G C8 C 136.2 . . 426 . 30 G C1' C 92.2 . . 427 . 30 G C2' C 75.4 . . 428 . 30 G C3' C 75.8 . . 429 . 30 G C4' C 83.0 . . 430 . 30 G C5' C 64.8 . . 431 . 30 G H8 H 6.92 . . 432 . 30 G H1' H 5.40 . . 433 . 30 G H2' H 4.33 . . 434 . 30 G H3' H 3.99 . . 435 . 30 G H4' H 4.42 . . 436 . 30 G H5' H 4.38 . . 437 . 30 G H5'' H 4.32 . . 438 . 31 G C8 C 135.7 . . 439 . 31 G C1' C 91.9 . . 440 . 31 G C2' C 75.1 . . 441 . 31 G C3' C 72.3 . . 442 . 31 G C4' C 85.8 . . 443 . 31 G C5' C 64.4 . . 444 . 31 G H8 H 6.83 . . 445 . 31 G H1' H 5.85 . . 446 . 31 G H2' H 4.41 . . 447 . 31 G H3' H 4.55 . . 448 . 31 G H4' H 4.34 . . 449 . 31 G H5' H 4.03 . . 450 . 31 G H5'' H 3.90 . . 451 . 32 G C8 C 139.4 . . 452 . 32 G C1' C 85.7 . . 453 . 32 G C2' C 76.7 . . 454 . 32 G C3' C 71.5 . . 455 . 32 G C4' C 84.0 . . 456 . 32 G C5' C 65.0 . . 457 . 32 G H8 H 7.64 . . 458 . 32 G H1' H 5.71 . . 459 . 32 G H2' H 4.04 . . 460 . 32 G H3' H 4.18 . . 461 . 32 G H4' H 4.34 . . 462 . 32 G H5' H 4.11 . . 463 . 32 G H5'' H 4.11 . . 464 . 33 U C6 C 143.1 . . 465 . 33 U C5 C 103.4 . . 466 . 33 U C1' C 90.6 . . 467 . 33 U C2' C 75.3 . . 468 . 33 U C3' C 75.6 . . 469 . 33 U C4' C 84.0 . . 470 . 33 U C5' C 66.5 . . 471 . 33 U H6 H 7.76 . . 472 . 33 U H5 H 5.47 . . 473 . 33 U H1' H 5.79 . . 474 . 33 U H2' H 4.29 . . 475 . 33 U H3' H 4.60 . . 476 . 33 U H4' H 4.39 . . 477 . 33 U H5' H 4.38 . . 478 . 33 U H5'' H 4.23 . . 479 . 34 C C6 C 142.1 . . 480 . 34 C C5 C 99.5 . . 481 . 34 C C1' C 90.0 . . 482 . 34 C C2' C 75.9 . . 483 . 34 C C3' C 72.1 . . 484 . 34 C C4' C 84.6 . . 485 . 34 C C5' C 67.6 . . 486 . 34 C H6 H 7.94 . . 487 . 34 C H5 H 6.14 . . 488 . 34 C H1' H 6.20 . . 489 . 34 C H2' H 4.42 . . 490 . 34 C H3' H 4.28 . . 491 . 34 C H4' H 4.65 . . 492 . 34 C H5' H 4.22 . . 493 . 34 C H5'' H 4.17 . . 494 . 35 A C8 C 142.1 . . 495 . 35 A C2 C 157.6 . . 496 . 35 A C1' C 90.2 . . 497 . 35 A C2' C 79.7 . . 498 . 35 A C3' C 75.1 . . 499 . 35 A C4' C 83.4 . . 500 . 35 A C5' C 65.9 . . 501 . 35 A H8 H 8.54 . . 502 . 35 A H2 H 8.38 . . 503 . 35 A H1' H 5.99 . . 504 . 35 A H2' H 5.08 . . 505 . 35 A H3' H 4.86 . . 506 . 35 A H4' H 4.47 . . 507 . 35 A H5' H 3.97 . . 508 . 35 A H5'' H 3.87 . . 509 . 36 U C6 C 145.5 . . 510 . 36 U C5 C 107.1 . . 511 . 36 U C1' C 88.7 . . 512 . 36 U C2' C 77.4 . . 513 . 36 U C3' C 74.9 . . 514 . 36 U C4' C 83.4 . . 515 . 36 U C5' C 67.8 . . 516 . 36 U H6 H 7.35 . . 517 . 36 U H5 H 6.29 . . 518 . 36 U H1' H 5.83 . . 519 . 36 U H2' H 4.67 . . 520 . 36 U H3' H 4.49 . . 521 . 36 U H4' H 4.47 . . 522 . 36 U H5' H 3.95 . . 523 . 36 U H5'' H 3.95 . . 524 . 37 C C6 C 143.6 . . 525 . 37 C C5 C 97.7 . . 526 . 37 C C1' C 93.2 . . 527 . 37 C C2' C 75.5 . . 528 . 37 C C3' C 72.0 . . 529 . 37 C C4' C 86.8 . . 530 . 37 C C5' C 64.1 . . 531 . 37 C H6 H 7.69 . . 532 . 37 C H5 H 5.63 . . 533 . 37 C H1' H 5.64 . . 534 . 37 C H2' H 4.81 . . 535 . 37 C H4' H 4.35 . . 536 . 38 G C8 C 142.4 . . 537 . 38 G C1' C 91.9 . . 538 . 38 G C2' C 75.2 . . 539 . 38 G C3' C 71.8 . . 540 . 38 G C4' C 84.2 . . 541 . 38 G C5' C 66.0 . . 542 . 38 G H8 H 7.63 . . 543 . 38 G H1' H 5.88 . . 544 . 38 G H2' H 4.81 . . 545 . 38 G H3' H 4.59 . . 546 . 38 G H4' H 4.25 . . 547 . 38 G H5' H 4.16 . . 548 . 38 G H5'' H 4.09 . . 549 . 39 G C8 C 136.1 . . 550 . 39 G C1' C 92.3 . . 551 . 39 G C2' C 74.9 . . 552 . 39 G C3' C 71.9 . . 553 . 39 G C4' C 81.3 . . 554 . 39 G C5' C 64.3 . . 555 . 39 G H8 H 7.30 . . 556 . 39 G H1' H 5.65 . . 557 . 39 G H2' H 4.48 . . 558 . 39 G H3' H 4.27 . . 559 . 39 G H4' H 4.40 . . 560 . 39 G H5' H 4.13 . . 561 . 39 G H5'' H 4.06 . . 562 . 40 A C8 C 139.2 . . 563 . 40 A C2 C 153.5 . . 564 . 40 A C1' C 92.0 . . 565 . 40 A C2' C 75.0 . . 566 . 40 A C3' C 72.1 . . 567 . 40 A C4' C 81.4 . . 568 . 40 A C5' C 64.5 . . 569 . 40 A H8 H 7.65 . . 570 . 40 A H2 H 7.27 . . 571 . 40 A H1' H 5.84 . . 572 . 40 A H2' H 4.48 . . 573 . 40 A H3' H 4.58 . . 574 . 40 A H4' H 4.47 . . 575 . 40 A H5' H 4.09 . . 576 . 40 A H5'' H 4.07 . . 577 . 41 A C8 C 139.0 . . 578 . 41 A C2 C 154.4 . . 579 . 41 A C1' C 91.7 . . 580 . 41 A C2' C 75.5 . . 581 . 41 A C3' C 72.4 . . 582 . 41 A C4' C 81.8 . . 583 . 41 A C5' C 64.4 . . 584 . 41 A H8 H 7.57 . . 585 . 41 A H2 H 7.74 . . 586 . 41 A H1' H 5.83 . . 587 . 41 A H2' H 4.27 . . 588 . 41 A H3' H 4.42 . . 589 . 41 A H4' H 4.41 . . 590 . 41 A H5' H 4.08 . . 591 . 41 A H5'' H 4.03 . . 592 . 42 C C6 C 141.4 . . 593 . 42 C C5 C 97.3 . . 594 . 42 C C1' C 92.9 . . 595 . 42 C C2' C 75.5 . . 596 . 42 C C3' C 72.7 . . 597 . 42 C C4' C 82.5 . . 598 . 42 C C5' C 64.5 . . 599 . 42 C H6 H 7.32 . . 600 . 42 C H5 H 5.25 . . 601 . 42 C H1' H 5.42 . . 602 . 42 C H2' H 4.08 . . 603 . 42 C H3' H 4.24 . . 604 . 42 C H4' H 4.23 . . 605 . 42 C H5' H 4.08 . . 606 . 42 C H5'' H 4.01 . . 607 . 43 C C6 C 142.1 . . 608 . 43 C C5 C 97.7 . . 609 . 43 C C1' C 91.7 . . 610 . 43 C C2' C 75.7 . . 611 . 43 C C3' C 71.6 . . 612 . 43 C C4' C 82.4 . . 613 . 43 C C5' C 65.4 . . 614 . 43 C H6 H 7.55 . . 615 . 43 C H5 H 5.59 . . 616 . 43 C H1' H 5.60 . . 617 . 43 C H2' H 4.47 . . 618 . 43 C H3' H 4.40 . . 619 . 43 C H4' H 4.14 . . 620 . 43 C H5' H 4.03 . . 621 . 43 C H5'' H 3.95 . . 622 . 44 A C8 C 142.0 . . 623 . 44 A C2 C 155.7 . . 624 . 44 A C1' C 89.5 . . 625 . 44 A C2' C 76.7 . . 626 . 44 A C3' C 72.0 . . 627 . 44 A C4' C 85.3 . . 628 . 44 A C5' C 66.8 . . 629 . 44 A H8 H 8.31 . . 630 . 44 A H2 H 8.07 . . 631 . 44 A H1' H 5.99 . . 632 . 44 A H2' H 4.51 . . 633 . 44 A H3' H 4.41 . . 634 . 44 A H4' H 4.27 . . 635 . 44 A H5' H 4.16 . . 636 . 44 A H5'' H 4.05 . . stop_ save_