data_6633 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the RNA signal essential for translational frameshifting in HIV-1 ; _BMRB_accession_number 6633 _BMRB_flat_file_name bmr6633.str _Entry_type original _Submission_date 2005-05-13 _Accession_date 2005-05-13 _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 Gaudin C. . . 2 Mazauric M. H. . 3 Traikia M. . . 4 Guittet E. . . 5 Yoshizawa S. . . 6 Fourmy D. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 351 "13C chemical shifts" 273 "15N chemical shifts" 18 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-18 original author . stop_ _Original_release_date 2005-08-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the RNA Signal Essential for Translational Frameshifting in HIV-1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15907937 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gaudin C. . . 2 Mazauric M. H. . 3 Traikia M. . . 4 Guittet E. . . 5 Yoshizawa S. . . 6 Fourmy D. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 349 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1024 _Page_last 1035 _Year 2005 _Details . loop_ _Keyword 'RNA bulged helix' stop_ save_ ################################## # Molecular system description # ################################## save_system_HIV-1_FS_RNA _Saveframe_category molecular_system _Mol_system_name 'HIV-1 frameshift RNA signal' _Abbreviation_common 'HIV-1 FS RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 frameshift RNA signal' $HIV_FS_RNA 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_HIV_FS_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'HIV frameshift RNA signal' _Abbreviation_common 'HIV FS RNA' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; GGCGAUCUGGCCUUCCUACA AGGGAAGGCCAGGGAAUUGC C ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 G 5 A 6 U 7 C 8 U 9 G 10 G 11 C 12 C 13 U 14 U 15 C 16 C 17 U 18 A 19 C 20 A 21 A 22 G 23 G 24 G 25 A 26 A 27 G 28 G 29 C 30 C 31 A 32 G 33 G 34 G 35 A 36 A 37 U 38 U 39 G 40 C 41 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 _Details $HIV_FS_RNA Lentivirus 11646 Viruses . Lentivirus . 'The family is retroviridae.' 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 $HIV_FS_RNA 'chemical synthesis' . . . . . 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 $HIV_FS_RNA 1 mM . 'Na phosphate buffer' 10 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV_FS_RNA 1 mM . 'Na phosphate buffer' 10 mM . D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV_FS_RNA 1 mM '[U-13C; U-15N]' 'Na phosphate buffer' 10 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.1 loop_ _Task processing stop_ _Details . save_ save_GIFA _Saveframe_category software _Name GIFA _Version 4.4 loop_ _Task 'data analysis' stop_ _Details 'Delsuc, M.A.' save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version . loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Task 'data analysis' stop_ _Details . save_ save_DISCOVER _Saveframe_category software _Name DISCOVER _Version . loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_HP_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HP COSY' _Sample_label . save_ save_3D-HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _Sample_label . save_ save_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label . save_ save_3D_HCP_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCP' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HP COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCP' _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 0.1 mM pH 6.4 0.1 pH pressure 1 . atm temperature 283 0.1 K stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 0.1 mM pH 6.4 0.1 pH pressure 1 . atm temperature 303 0.1 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 TSP C 13 'methyl protons' ppm 0.00 external indirect cylindrical internal parallel 0.251449 TSP H 1 'methyl protons' ppm 0.00 internal direct cylindrical internal parallel 1.0 TSP N 15 'methyl protons' ppm 0.00 external indirect cylindrical internal parallel 0.101329 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HIV-1 frameshift RNA signal' _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 8.15 0.05 . 2 . 1 G H1' H 5.84 0.05 . 3 . 1 G H2' H 4.94 0.05 . 4 . 1 G H3' H 4.73 0.05 . 5 . 1 G H4' H 4.56 0.05 . 6 . 1 G H5' H 4.32 0.05 . 7 . 1 G H5'' H 4.4 0.05 . 8 . 1 G H1 H 12.93 0.05 . 9 . 1 G C8 C 137.1 0.5 . 10 . 1 G C1' C 88.9 0.5 . 11 . 1 G C2' C 72.6 0.5 . 12 . 1 G C3' C 72.7 0.5 . 13 . 1 G C4' C 81.4 0.5 . 14 . 1 G C5' C 65.2 0.5 . 15 . 1 G N1 N 145.6 0.5 . 16 . 2 G H8 H 7.64 0.05 . 17 . 2 G H1' H 5.93 0.05 . 18 . 2 G H2' H 4.54 0.05 . 19 . 2 G H3' H 4.54 0.05 . 20 . 2 G H4' H 4.52 0.05 . 21 . 2 G H5' H 4.28 0.05 . 22 . 2 G H5'' H 4.51 0.05 . 23 . 2 G H1 H 13.41 0.05 . 24 . 2 G C8 C 135 0.5 . 25 . 2 G C1' C 90.7 0.5 . 26 . 2 G C2' C 73.1 0.5 . 27 . 2 G C3' C 70.7 0.5 . 28 . 2 G C4' C 80.3 0.5 . 29 . 2 G C5' C 63.9 0.5 . 30 . 2 G N1 N 146 0.5 . 31 . 3 C H6 H 7.57 0.05 . 32 . 3 C H5 H 5.25 0.05 . 33 . 3 C H1' H 5.64 0.05 . 34 . 3 C H2' H 4.62 0.05 . 35 . 3 C H3' H 4.46 0.05 . 36 . 3 C H4' H 4.42 0.05 . 37 . 3 C H5' H 4.11 0.05 . 38 . 3 C H5'' H 4.55 0.05 . 39 . 3 C H41 H 7.11 0.05 . 40 . 3 C H42 H 8.43 0.05 . 41 . 3 C C6 C 138.7 0.5 . 42 . 3 C C5 C 95.1 0.5 . 43 . 3 C C1' C 91.3 0.5 . 44 . 3 C C2' C 73.7 0.5 . 45 . 3 C C3' C 70.3 0.5 . 46 . 3 C C4' C 79.7 0.5 . 47 . 3 C C5' C 62.5 0.5 . 48 . 4 G H8 H 7.58 0.05 . 49 . 4 G H1' H 5.73 0.05 . 50 . 4 G H2' H 4.44 0.05 . 51 . 4 G H3' H 4.78 0.05 . 52 . 4 G H4' H 4.55 0.05 . 53 . 4 G H5' H 4.17 0.05 . 54 . 4 G H5'' H 4.39 0.05 . 55 . 4 G H1 H 10.43 0.05 . 56 . 4 G C8 C 135.6 0.5 . 57 . 4 G C1' C 91 0.5 . 58 . 4 G C2' C 71.8 0.5 . 59 . 4 G C3' C 72.8 0.5 . 60 . 4 G C4' C 80.6 0.5 . 61 . 4 G C5' C 65.4 0.5 . 62 . 4 G N1 N 140.4 0.5 . 63 . 5 A H8 H 7.84 0.05 . 64 . 5 A H2 H 8.01 0.05 . 65 . 5 A H1' H 5.93 0.05 . 66 . 5 A H2' H 4.48 0.05 . 67 . 5 A H3' H 4.69 0.05 . 68 . 5 A H4' H 4.52 0.05 . 69 . 5 A H5' H 4.18 0.05 . 70 . 5 A H5'' H 4.57 0.05 . 71 . 5 A C8 C 137.9 0.5 . 72 . 5 A C2 C 152.5 0.5 . 73 . 5 A C1' C 90.8 0.5 . 74 . 5 A C2' C 73.4 0.5 . 75 . 5 A C3' C 70.4 0.5 . 76 . 5 A C4' C 82.5 0.5 . 77 . 5 A C5' C 62.4 0.5 . 78 . 6 U H6 H 7.58 0.05 . 79 . 6 U H5 H 5.27 0.05 . 80 . 6 U H1' H 5.73 0.05 . 81 . 6 U H2' H 4.44 0.05 . 82 . 6 U H3' H 4.63 0.05 . 83 . 6 U H4' H 4.54 0.05 . 84 . 6 U H5' H 4.14 0.05 . 85 . 6 U H5'' H 4.48 0.05 . 86 . 6 U C6 C 140 0.5 . 87 . 6 U C5 C 101.9 0.5 . 88 . 6 U C1' C 90.5 0.5 . 89 . 6 U C2' C 73.6 0.5 . 90 . 6 U C3' C 72.3 0.5 . 91 . 6 U C4' C 81.3 0.5 . 92 . 6 U C5' C 63.6 0.5 . 93 . 7 C H6 H 7.97 0.05 . 94 . 7 C H5 H 5.96 0.05 . 95 . 7 C H1' H 5.51 0.05 . 96 . 7 C H2' H 4.45 0.05 . 97 . 7 C H3' H 4.44 0.05 . 98 . 7 C H4' H 4.47 0.05 . 99 . 7 C H5' H 4.17 0.05 . 100 . 7 C H5'' H 4.39 0.05 . 101 . 7 C H41 H 6.89 0.05 . 102 . 7 C H42 H 8.46 0.05 . 103 . 7 C C6 C 140.3 0.5 . 104 . 7 C C5 C 95.9 0.5 . 105 . 7 C C1' C 92.3 0.5 . 106 . 7 C C2' C 71.1 0.5 . 107 . 7 C C3' C 71.1 0.5 . 108 . 7 C C4' C 80.4 0.5 . 109 . 7 C C5' C 64.1 0.5 . 110 . 8 U H6 H 7.94 0.05 . 111 . 8 U H5 H 5.49 0.05 . 112 . 8 U H1' H 5.53 0.05 . 113 . 8 U H2' H 4.62 0.05 . 114 . 8 U H3' H 4.65 0.05 . 115 . 8 U H4' H 4.44 0.05 . 116 . 8 U H5' H 4.18 0.05 . 117 . 8 U H5'' H 4.56 0.05 . 118 . 8 U H3 H 13.38 0.05 . 119 . 8 U C6 C 140 0.5 . 120 . 8 U C5 C 101.7 0.5 . 121 . 8 U C1' C 91.4 0.5 . 122 . 8 U C2' C 73 0.5 . 123 . 8 U C3' C 70.1 0.5 . 124 . 8 U C4' C 80.1 0.5 . 125 . 8 U C5' C 62.6 0.5 . 126 . 8 U N3 N 159.8 0.5 . 127 . 9 G H8 H 7.72 0.05 . 128 . 9 G H1' H 5.81 0.05 . 129 . 9 G H2' H 4.59 0.05 . 130 . 9 G H3' H 4.64 0.05 . 131 . 9 G H4' H 4.52 0.05 . 132 . 9 G H5' H 4.20 0.05 . 133 . 9 G H5'' H 4.51 0.05 . 134 . 9 G H1 H 12.05 0.05 . 135 . 9 G C8 C 134.5 0.5 . 136 . 9 G C1' C 90 0.5 . 137 . 9 G C2' C 73.3 0.5 . 138 . 9 G C3' C 70.7 0.5 . 139 . 9 G C4' C 80.4 0.5 . 140 . 9 G C5' C 63.4 0.5 . 141 . 9 G N1 N 144.3 0.5 . 142 . 10 G H8 H 7.32 0.05 . 143 . 10 G H1' H 5.71 0.05 . 144 . 10 G H2' H 4.48 0.05 . 145 . 10 G H3' H 4.38 0.05 . 146 . 10 G H4' H 4.47 0.05 . 147 . 10 G H5' H 4.12 0.05 . 148 . 10 G H5'' H 4.55 0.05 . 149 . 10 G H1 H 13.29 0.05 . 150 . 10 G C8 C 134.1 0.5 . 151 . 10 G C1' C 91 0.5 . 152 . 10 G C2' C 73 0.5 . 153 . 10 G C3' C 70.3 0.5 . 154 . 10 G C4' C 79.9 0.5 . 155 . 10 G C5' C 63 0.5 . 156 . 10 G N1 N 146.5 0.5 . 157 . 11 C H6 H 7.61 0.05 . 158 . 11 C H5 H 5.2 0.05 . 159 . 11 C H1' H 5.59 0.05 . 160 . 11 C H2' H 4.49 0.05 . 161 . 11 C H3' H 4.48 0.05 . 162 . 11 C H4' H 4.46 0.05 . 163 . 11 C H5' H 4.11 0.05 . 164 . 11 C H5'' H 4.53 0.05 . 165 . 11 C H41 H 7.00 0.05 . 166 . 11 C H42 H 8.73 0.05 . 167 . 11 C C6 C 139 0.5 . 168 . 11 C C5 C 95 0.5 . 169 . 11 C C1' C 92 0.5 . 170 . 11 C C2' C 73 0.5 . 171 . 11 C C3' C 70.1 0.5 . 172 . 11 C C4' C 79.9 0.5 . 173 . 11 C C5' C 62.2 0.5 . 174 . 12 C H6 H 7.75 0.05 . 175 . 12 C H5 H 5.73 0.05 . 176 . 12 C H1' H 5.58 0.05 . 177 . 12 C H2' H 4.5 0.05 . 178 . 12 C H3' H 4.47 0.05 . 179 . 12 C H4' H 4.48 0.05 . 180 . 12 C H5' H 4.14 0.05 . 181 . 12 C H5'' H 4.58 0.05 . 182 . 12 C H41 H 7.00 0.05 . 183 . 12 C H42 H 8.58 0.05 . 184 . 12 C C6 C 139.4 0.5 . 185 . 12 C C5 C 96.7 0.5 . 186 . 12 C C1' C 91.9 0.5 . 187 . 12 C C2' C 73.1 0.5 . 188 . 12 C C3' C 70.2 0.5 . 189 . 12 C C4' C 79.9 0.5 . 190 . 12 C C5' C 62.2 0.5 . 191 . 13 U H6 H 7.92 0.05 . 192 . 13 U H5 H 5.45 0.05 . 193 . 13 U H1' H 5.58 0.05 . 194 . 13 U H2' H 4.51 0.05 . 195 . 13 U H3' H 4.62 0.05 . 196 . 13 U H4' H 4.48 0.05 . 197 . 13 U H5' H 4.10 0.05 . 198 . 13 U H5'' H 4.54 0.05 . 199 . 13 U H3 H 13.94 0.05 . 200 . 13 U C6 C 140.7 0.5 . 201 . 13 U C5 C 101.1 0.5 . 202 . 13 U C1' C 91.9 0.5 . 203 . 13 U C2' C 73.3 0.5 . 204 . 13 U C3' C 69.9 0.5 . 205 . 13 U C4' C 81.3 0.5 . 206 . 13 U C5' C 62 0.5 . 207 . 13 U N3 N 160 0.5 . 208 . 14 U H6 H 8.08 0.05 . 209 . 14 U H5 H 5.62 0.05 . 210 . 14 U H1' H 5.68 0.05 . 211 . 14 U H2' H 4.48 0.05 . 212 . 14 U H3' H 4.59 0.05 . 213 . 14 U H4' H 4.5 0.05 . 214 . 14 U H5' H 4.16 0.05 . 215 . 14 U H5'' H 4.60 0.05 . 216 . 14 U H3 H 13.78 0.05 . 217 . 14 U C6 C 140.8 0.5 . 218 . 14 U C5 C 100.7 0.5 . 219 . 14 U C1' C 91.4 0.5 . 220 . 14 U C2' C 73.1 0.5 . 221 . 14 U C3' C 70.2 0.5 . 222 . 14 U C4' C 79.9 0.5 . 223 . 14 U C5' C 62.1 0.5 . 224 . 14 U N3 N 160.7 0.5 . 225 . 15 C H6 H 7.86 0.05 . 226 . 15 C H5 H 5.63 0.05 . 227 . 15 C H1' H 5.53 0.05 . 228 . 15 C H2' H 4.31 0.05 . 229 . 15 C H3' H 4.47 0.05 . 230 . 15 C H4' H 4.47 0.05 . 231 . 15 C H5' H 4.57 0.05 . 232 . 15 C H5'' H 4.14 0.05 . 233 . 15 C H41 H 7.00 0.05 . 234 . 15 C H42 H 8.29 0.05 . 235 . 15 C C6 C 139.8 0.5 . 236 . 15 C C5 C 96 0.5 . 237 . 15 C C1' C 91.8 0.5 . 238 . 15 C C2' C 73.2 0.5 . 239 . 15 C C3' C 70.2 0.5 . 240 . 15 C C4' C 79.7 0.5 . 241 . 15 C C5' C 62.4 0.5 . 242 . 16 C H6 H 7.65 0.05 . 243 . 16 C H5 H 5.39 0.05 . 244 . 16 C H1' H 5.42 0.05 . 245 . 16 C H2' H 4.42 0.05 . 246 . 16 C H3' H 4.38 0.05 . 247 . 16 C H4' H 4.37 0.05 . 248 . 16 C H5' H 4.52 0.05 . 249 . 16 C H5'' H 4.05 0.05 . 250 . 16 C H41 H 6.78 0.05 . 251 . 16 C H42 H 8.26 0.05 . 252 . 16 C C6 C 139.3 0.5 . 253 . 16 C C5 C 95.1 0.5 . 254 . 16 C C1' C 91.8 0.5 . 255 . 16 C C2' C 73.2 0.5 . 256 . 16 C C3' C 69.9 0.5 . 257 . 16 C C4' C 79.8 0.5 . 258 . 16 C C5' C 62 0.5 . 259 . 17 U H6 H 7.69 0.05 . 260 . 17 U H5 H 5.53 0.05 . 261 . 17 U H1' H 5.62 0.05 . 262 . 17 U H2' H 4.36 0.05 . 263 . 17 U H3' H 4.48 0.05 . 264 . 17 U H4' H 4.47 0.05 . 265 . 17 U H5' H 4.11 0.05 . 266 . 17 U H5'' H 4.58 0.05 . 267 . 17 U H3 H 11.6 0.05 . 268 . 17 U C6 C 140.7 0.5 . 269 . 17 U C5 C 102.5 0.5 . 270 . 17 U C1' C 90.3 0.5 . 271 . 17 U C2' C 70.1 0.5 . 272 . 17 U C3' C 73.2 0.5 . 273 . 17 U C4' C 79.9 0.5 . 274 . 17 U C5' C 63.5 0.5 . 275 . 17 U N3 N 154.9 0.5 . 276 . 18 A H8 H 8.25 0.05 . 277 . 18 A H2 H 7.8 0.05 . 278 . 18 A H1' H 5.81 0.05 . 279 . 18 A H2' H 4.58 0.05 . 280 . 18 A H3' H 4.65 0.05 . 281 . 18 A H4' H 4.51 0.05 . 282 . 18 A H5' H 4.51 0.05 . 283 . 18 A H5'' H 4.11 0.05 . 284 . 18 A C8 C 138.9 0.5 . 285 . 18 A C2 C 153.2 0.5 . 286 . 18 A C1' C 90.6 0.5 . 287 . 18 A C2' C 70.3 0.5 . 288 . 18 A C3' C 70.5 0.5 . 289 . 18 A C4' C 79.9 0.5 . 290 . 18 A C5' C 62.8 0.5 . 291 . 19 C H6 H 7.57 0.05 . 292 . 19 C H5 H 5.7 0.05 . 293 . 19 C H1' H 5.72 0.05 . 294 . 19 C H2' H 4.12 0.05 . 295 . 19 C H3' H 4.45 0.05 . 296 . 19 C H4' H 3.99 0.05 . 297 . 19 C H5' H 3.94 0.05 . 298 . 19 C H5'' H 4.01 0.05 . 299 . 19 C C6 C 141.1 0.5 . 300 . 19 C C5 C 95.4 0.5 . 301 . 19 C C1' C 88.1 0.5 . 302 . 19 C C2' C 74 0.5 . 303 . 19 C C3' C 75 0.5 . 304 . 19 C C4' C 82.1 0.5 . 305 . 19 C C5' C 64.9 0.5 . 306 . 20 A H8 H 8.1 0.05 . 307 . 20 A H2 H 7.96 0.05 . 308 . 20 A H1' H 5.75 0.05 . 309 . 20 A H2' H 4.59 0.05 . 310 . 20 A H3' H 4.74 0.05 . 311 . 20 A H4' H 4.36 0.05 . 312 . 20 A H5' H 4.00 0.05 . 313 . 20 A H5'' H 3.97 0.05 . 314 . 20 A C8 C 139.7 0.5 . 315 . 20 A C2 C 153.1 0.5 . 316 . 20 A C1' C 87.7 0.5 . 317 . 20 A C2' C 74.1 0.5 . 318 . 20 A C3' C 74.9 0.5 . 319 . 20 A C4' C 82.6 0.5 . 320 . 20 A C5' C 65.6 0.5 . 321 . 21 A H8 H 8.32 0.05 . 322 . 21 A H2 H 8.03 0.05 . 323 . 21 A H1' H 6.07 0.05 . 324 . 21 A H2' H 4.88 0.05 . 325 . 21 A H3' H 4.95 0.05 . 326 . 21 A H4' H 4.64 0.05 . 327 . 21 A H5' H 4.29 0.05 . 328 . 21 A H5'' H 4.36 0.05 . 329 . 21 A C8 C 140 0.5 . 330 . 21 A C2 C 153.1 0.5 . 331 . 21 A C1' C 87.9 0.5 . 332 . 21 A C2' C 74.2 0.5 . 333 . 21 A C3' C 69.9 0.5 . 334 . 21 A C4' C 82.4 0.5 . 335 . 21 A C5' C 65.1 0.5 . 336 . 22 G H8 H 7.86 0.05 . 337 . 22 G H1' H 5.59 0.05 . 338 . 22 G H2' H 4.76 0.05 . 339 . 22 G H3' H 4.49 0.05 . 340 . 22 G H4' H 4.59 0.05 . 341 . 22 G H5' H 3.96 0.05 . 342 . 22 G H5'' H 4.05 0.05 . 343 . 22 G H1 H 11.61 0.05 . 344 . 22 G C8 C 136.7 0.5 . 345 . 22 G C1' C 91.9 0.5 . 346 . 22 G C2' C 73.2 0.5 . 347 . 22 G C3' C 70 0.5 . 348 . 22 G C4' C 81.3 0.5 . 349 . 22 G C5' C 62.1 0.5 . 350 . 22 G N1 N 141.2 0.5 . 351 . 23 G H8 H 7.32 0.05 . 352 . 23 G H1' H 5.62 0.05 . 353 . 23 G H2' H 4.55 0.05 . 354 . 23 G H3' H 4.47 0.05 . 355 . 23 G H4' H 4.51 0.05 . 356 . 23 G H5' H 4.09 0.05 . 357 . 23 G H5'' H 4.45 0.05 . 358 . 23 G H1 H 12.5 0.05 . 359 . 23 G C8 C 134.6 0.5 . 360 . 23 G C1' C 90.7 0.5 . 361 . 23 G C2' C 71.2 0.5 . 362 . 23 G C3' C 73.4 0.5 . 363 . 23 G C4' C 80.9 0.5 . 364 . 23 G C5' C 62.6 0.5 . 365 . 23 G N1 N 144.6 0.5 . 366 . 24 G H8 H 7.17 0.05 . 367 . 24 G H1' H 5.82 0.05 . 368 . 24 G H2' H 4.62 0.05 . 369 . 24 G H3' H 4.53 0.05 . 370 . 24 G H4' H 4.5 0.05 . 371 . 24 G H5' H 4.40 0.05 . 372 . 24 G H5'' H 4.16 0.05 . 373 . 24 G H1 H 12.22 0.05 . 374 . 24 G C8 C 134.3 0.5 . 375 . 24 G C1' C 88.9 0.5 . 376 . 24 G C2' C 73.4 0.5 . 377 . 24 G C3' C 73.2 0.5 . 378 . 24 G C4' C 82 0.5 . 379 . 24 G C5' C 63.9 0.5 . 380 . 24 G N1 N 144.9 0.5 . 381 . 25 A H8 H 7.63 0.05 . 382 . 25 A H2 H 7.14 0.05 . 383 . 25 A H1' H 5.95 0.05 . 384 . 25 A H2' H 4.65 0.05 . 385 . 25 A H3' H 4.63 0.05 . 386 . 25 A H4' H 4.53 0.05 . 387 . 25 A H5' H 4.59 0.05 . 388 . 25 A H5'' H 4.15 0.05 . 389 . 25 A C8 C 137 0.5 . 390 . 25 A C2 C 150.9 0.5 . 391 . 25 A C1' C 90.6 0.5 . 392 . 25 A C2' C 73.2 0.5 . 393 . 25 A C3' C 70.8 0.5 . 394 . 25 A C4' C 80.2 0.5 . 395 . 25 A C5' C 63.7 0.5 . 396 . 26 A H8 H 7.64 0.05 . 397 . 26 A H2 H 7.49 0.05 . 398 . 26 A H1' H 5.94 0.05 . 399 . 26 A H2' H 4.66 0.05 . 400 . 26 A H3' H 4.66 0.05 . 401 . 26 A H4' H 4.5 0.05 . 402 . 26 A H5' H 4.59 0.05 . 403 . 26 A H5'' H 4.15 0.05 . 404 . 26 A C8 C 137.3 0.5 . 405 . 26 A C2 C 151.1 0.5 . 406 . 26 A C1' C 90.3 0.5 . 407 . 26 A C2' C 73.4 0.5 . 408 . 26 A C3' C 70.5 0.5 . 409 . 26 A C4' C 79.8 0.5 . 410 . 26 A C5' C 62.6 0.5 . 411 . 27 G H8 H 7.05 0.05 . 412 . 27 G H1' H 5.6 0.05 . 413 . 27 G H2' H 4.55 0.05 . 414 . 27 G H3' H 4.47 0.05 . 415 . 27 G H4' H 4.4 0.05 . 416 . 27 G H5' H 4.12 0.05 . 417 . 27 G H5'' H 4.58 0.05 . 418 . 27 G H1 H 12.92 0.05 . 419 . 27 G C8 C 133.7 0.5 . 420 . 27 G C1' C 90 0.5 . 421 . 27 G C2' C 73.3 0.5 . 422 . 27 G C3' C 69.9 0.5 . 423 . 27 G C4' C 79.9 0.5 . 424 . 27 G C5' C 62 0.5 . 425 . 27 G N1 N 145.1 0.5 . 426 . 28 G H8 H 7.23 0.05 . 427 . 28 G H1' H 5.79 0.05 . 428 . 28 G H2' H 4.57 0.05 . 429 . 28 G H3' H 4.52 0.05 . 430 . 28 G H4' H 4.49 0.05 . 431 . 28 G H5' H 4.51 0.05 . 432 . 28 G H5'' H 4.10 0.05 . 433 . 28 G H1 H 13.35 0.05 . 434 . 28 G C8 C 134 0.5 . 435 . 28 G C1' C 90.7 0.5 . 436 . 28 G C2' C 73 0.5 . 437 . 28 G C3' C 70.5 0.5 . 438 . 28 G C4' C 79.9 0.5 . 439 . 28 G C5' C 62.8 0.5 . 440 . 28 G N1 N 146.3 0.5 . 441 . 29 C H6 H 7.61 0.05 . 442 . 29 C H5 H 5.2 0.05 . 443 . 29 C H1' H 5.54 0.05 . 444 . 29 C H2' H 4.46 0.05 . 445 . 29 C H3' H 4.45 0.05 . 446 . 29 C H4' H 4.45 0.05 . 447 . 29 C H5' H 4.05 0.05 . 448 . 29 C H5'' H 4.5 0.05 . 449 . 29 C H41 H 6.94 0.05 . 450 . 29 C H42 H 8.80 0.05 . 451 . 29 C C6 C 139.1 0.5 . 452 . 29 C C5 C 95 0.5 . 453 . 29 C C1' C 91.9 0.5 . 454 . 29 C C2' C 73.1 0.5 . 455 . 29 C C3' C 69.6 0.5 . 456 . 29 C C4' C 79.9 0.5 . 457 . 29 C C5' C 61.9 0.5 . 458 . 30 C H6 H 7.77 0.05 . 459 . 30 C H5 H 5.58 0.05 . 460 . 30 C H1' H 5.45 0.05 . 461 . 30 C H2' H 4.49 0.05 . 462 . 30 C H3' H 4.5 0.05 . 463 . 30 C H4' H 4.4 0.05 . 464 . 30 C H5' H 4.15 0.05 . 465 . 30 C H5'' H 4.57 0.05 . 466 . 30 C H41 H 6.96 0.05 . 467 . 30 C H42 H 8.42 0.05 . 468 . 30 C C6 C 139.4 0.5 . 469 . 30 C C5 C 95.9 0.5 . 470 . 30 C C1' C 91.9 0.5 . 471 . 30 C C2' C 73 0.5 . 472 . 30 C C3' C 70 0.5 . 473 . 30 C C4' C 79.7 0.5 . 474 . 30 C C5' C 62.5 0.5 . 475 . 31 A H8 H 8.04 0.05 . 476 . 31 A H2 H 7.03 0.05 . 477 . 31 A H1' H 5.91 0.05 . 478 . 31 A H2' H 4.71 0.05 . 479 . 31 A H3' H 4.69 0.05 . 480 . 31 A H4' H 4.5 0.05 . 481 . 31 A H5' H 4.16 0.05 . 482 . 31 A H5'' H 4.57 0.05 . 483 . 31 A C8 C 137.6 0.5 . 484 . 31 A C2 C 150.6 0.5 . 485 . 31 A C1' C 90.7 0.5 . 486 . 31 A C2' C 73.4 0.5 . 487 . 31 A C3' C 70.3 0.5 . 488 . 31 A C4' C 81.9 0.5 . 489 . 31 A C5' C 62.8 0.5 . 490 . 32 G H8 H 6.98 0.05 . 491 . 32 G H1' H 5.48 0.05 . 492 . 32 G H2' H 4.43 0.05 . 493 . 32 G H3' H 4.31 0.05 . 494 . 32 G H4' H 4.41 0.05 . 495 . 32 G H5' H 4.04 0.05 . 496 . 32 G H5'' H 4.41 0.05 . 497 . 32 G H1 H 12.86 0.05 . 498 . 32 G C8 C 133.8 0.5 . 499 . 32 G C1' C 90.4 0.5 . 500 . 32 G C2' C 73 0.5 . 501 . 32 G C3' C 70.7 0.5 . 502 . 32 G C4' C 79.9 0.5 . 503 . 32 G C5' C 63.5 0.5 . 504 . 32 G N1 N 145 0.5 . 505 . 33 G H8 H 7.25 0.05 . 506 . 33 G H1' H 5.49 0.05 . 507 . 33 G H2' H 4.17 0.05 . 508 . 33 G H3' H 4.49 0.05 . 509 . 33 G H4' H 4.26 0.05 . 510 . 33 G H5' H 4.00 0.05 . 511 . 33 G H5'' H 4.31 0.05 . 512 . 33 G H1 H 10.47 0.05 . 513 . 33 G C8 C 134.9 0.5 . 514 . 33 G C1' C 90.1 0.5 . 515 . 33 G C2' C 73.4 0.5 . 516 . 33 G C3' C 71.5 0.5 . 517 . 33 G C4' C 80.8 0.5 . 518 . 33 G C5' C 63.1 0.5 . 519 . 33 G N1 N 144 0.5 . 520 . 34 G H8 H 7.67 0.05 . 521 . 34 G H1' H 5.43 0.05 . 522 . 34 G H2' H 4.65 0.05 . 523 . 34 G H3' H 4.7 0.05 . 524 . 34 G H4' H 4.35 0.05 . 525 . 34 G H5' H 4.05 0.05 . 526 . 34 G H5'' H 4.14 0.05 . 527 . 34 G C8 C 137.6 0.5 . 528 . 34 G C1' C 87.4 0.5 . 529 . 34 G C2' C 72.3 0.5 . 530 . 34 G C3' C 75 0.5 . 531 . 34 G C4' C 82.5 0.5 . 532 . 34 G C5' C 64.7 0.5 . 533 . 35 A H8 H 8.16 0.05 . 534 . 35 A H2 H 7.92 0.05 . 535 . 35 A H1' H 5.84 0.05 . 536 . 35 A H2' H 4.74 0.05 . 537 . 35 A H3' H 4.72 0.05 . 538 . 35 A H4' H 4.52 0.05 . 539 . 35 A H5' H 4.23 0.05 . 540 . 35 A C8 C 139.7 0.5 . 541 . 35 A C2 C 152.9 0.5 . 542 . 35 A C1' C 88.3 0.5 . 543 . 35 A C2' C 73.1 0.5 . 544 . 35 A C3' C 73.3 0.5 . 545 . 35 A C4' C 80.5 0.5 . 546 . 35 A C5' C 65.1 0.5 . 547 . 36 A H8 H 8.29 0.05 . 548 . 36 A H2 H 8.06 0.05 . 549 . 36 A H1' H 5.82 0.05 . 550 . 36 A H2' H 4.73 0.05 . 551 . 36 A H3' H 4.73 0.05 . 552 . 36 A H4' H 4.6 0.05 . 553 . 36 A H5' H 4.28 0.05 . 554 . 36 A H5'' H 4.40 0.05 . 555 . 36 A C8 C 139.1 0.5 . 556 . 36 A C2 C 152.7 0.5 . 557 . 36 A C1' C 88.1 0.5 . 558 . 36 A C2' C 73.6 0.5 . 559 . 36 A C3' C 73.9 0.5 . 560 . 36 A C4' C 79.7 0.5 . 561 . 36 A C5' C 64.6 0.5 . 562 . 37 U H6 H 7.64 0.05 . 563 . 37 U H5 H 5.28 0.05 . 564 . 37 U H1' H 5.67 0.05 . 565 . 37 U H2' H 4.57 0.05 . 566 . 37 U H3' H 4.35 0.05 . 567 . 37 U H4' H 4.53 0.05 . 568 . 37 U H5' H 4.26 0.05 . 569 . 37 U H5'' H 4.39 0.05 . 570 . 37 U C6 C 140.8 0.5 . 571 . 37 U C5 C 102 0.5 . 572 . 37 U C1' C 91 0.5 . 573 . 37 U C2' C 73.1 0.5 . 574 . 37 U C3' C 71.6 0.5 . 575 . 37 U C4' C 81.1 0.5 . 576 . 37 U C5' C 64.3 0.5 . 577 . 38 U H6 H 7.91 0.05 . 578 . 38 U H5 H 5.76 0.05 . 579 . 38 U H1' H 5.79 0.05 . 580 . 38 U H2' H 4.34 0.05 . 581 . 38 U H3' H 4.65 0.05 . 582 . 38 U H4' H 4.48 0.05 . 583 . 38 U H5' H 4.15 0.05 . 584 . 38 U H5'' H 4.5 0.05 . 585 . 38 U H3 H 11.61 0.05 . 586 . 38 U C6 C 141.1 0.5 . 587 . 38 U C5 C 103.3 0.5 . 588 . 38 U C1' C 89.7 0.5 . 589 . 38 U C2' C 73.6 0.5 . 590 . 38 U C3' C 72.1 0.5 . 591 . 38 U C4' C 81.5 0.5 . 592 . 38 U C5' C 63.5 0.5 . 593 . 38 U N3 N 156.2 0.5 . 594 . 39 G H8 H 7.99 0.05 . 595 . 39 G H1' H 5.73 0.05 . 596 . 39 G H2' H 4.6 0.05 . 597 . 39 G H3' H 4.65 0.05 . 598 . 39 G H4' H 4.52 0.05 . 599 . 39 G H5' H 4.20 0.05 . 600 . 39 G H5'' H 4.53 0.05 . 601 . 39 G H1 H 12.96 0.05 . 602 . 39 G C8 C 135.7 0.5 . 603 . 39 G C1' C 90.6 0.5 . 604 . 39 G C2' C 73.3 0.5 . 605 . 39 G C3' C 70.8 0.5 . 606 . 39 G C4' C 80.1 0.5 . 607 . 39 G C5' C 63.6 0.5 . 608 . 39 G N1 N 145.1 0.5 . 609 . 40 C H6 H 7.73 0.05 . 610 . 40 C H5 H 5.29 0.05 . 611 . 40 C H1' H 5.57 0.05 . 612 . 40 C H2' H 4.31 0.05 . 613 . 40 C H3' H 4.46 0.05 . 614 . 40 C H4' H 4.45 0.05 . 615 . 40 C H5' H 4.08 0.05 . 616 . 40 C H5'' H 4.55 0.05 . 617 . 40 C H41 H 6.95 0.05 . 618 . 40 C H42 H 8.59 0.05 . 619 . 40 C C6 C 140.3 0.5 . 620 . 40 C C5 C 94.7 0.5 . 621 . 40 C C1' C 92.1 0.5 . 622 . 40 C C2' C 73.2 0.5 . 623 . 40 C C3' C 69.6 0.5 . 624 . 40 C C4' C 79.9 0.5 . 625 . 40 C C5' C 62.1 0.5 . 626 . 41 C H6 H 7.71 0.05 . 627 . 41 C H5 H 5.55 0.05 . 628 . 41 C H1' H 5.79 0.05 . 629 . 41 C H2' H 4.04 0.05 . 630 . 41 C H3' H 4.19 0.05 . 631 . 41 C H4' H 4.18 0.05 . 632 . 41 C H5' H 4.02 0.05 . 633 . 41 C H5'' H 4.47 0.05 . 634 . 41 C H41 H 6.88 0.05 . 635 . 41 C H42 H 8.46 0.05 . 636 . 41 C C6 C 139.8 0.5 . 637 . 41 C C5 C 95.9 0.5 . 638 . 41 C C1' C 90.7 0.5 . 639 . 41 C C2' C 75.2 0.5 . 640 . 41 C C3' C 67.4 0.5 . 641 . 41 C C4' C 79.6 0.5 . 642 . 41 C C5' C 62.9 0.5 . stop_ save_