data_17316 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Specifier domain and GA motif region of B. subtilis tyrS T box leader RNA ; _BMRB_accession_number 17316 _BMRB_flat_file_name bmr17316.str _Entry_type new _Submission_date 2010-11-23 _Accession_date 2010-11-23 _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 Wang Jiachen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 408 "13C chemical shifts" 347 "15N chemical shifts" 18 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-12 update BMRB 'update entry citation' 2011-02-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the K-Turn and Specifier Loop Domains from the Bacillus subtilis tyrS T-Box Leader RNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21333656 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Jiachen . . 2 Nikonowicz Edward P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 408 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 99 _Page_last 117 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'T box riboswitch Specifier domain and GA motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hairpin 1' $Specifier_Domain_and_GA_motif_region_of_B._subtilis_tyrS_T_box_leader_RNA 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_Specifier_Domain_and_GA_motif_region_of_B._subtilis_tyrS_T_box_leader_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Specifier_Domain_and_GA_motif_region_of_B._subtilis_tyrS_T_box_leader_RNA _Molecular_mass 244.204 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; GGGAGUAAAGAUUGAGACAA GUAGGACUUCGGUCCGAAUA CACUCAUGAACUCCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 G 6 U 7 A 8 A 9 A 10 G 11 A 12 U 13 U 14 G 15 A 16 G 17 A 18 C 19 A 20 A 21 G 22 U 23 A 24 G 25 G 26 A 27 C 28 U 29 U 30 C 31 G 32 G 33 U 34 C 35 C 36 G 37 A 38 A 39 U 40 A 41 C 42 A 43 C 44 U 45 C 46 A 47 U 48 G 49 A 50 A 51 C 52 U 53 C 54 C 55 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 $Specifier_Domain_and_GA_motif_region_of_B._subtilis_tyrS_T_box_leader_RNA firmicutes 1423 Bacteria . Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Specifier_Domain_and_GA_motif_region_of_B._subtilis_tyrS_T_box_leader_RNA 'enzymatic semisynthesis' . . . . n/a n/a 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 $Specifier_Domain_and_GA_motif_region_of_B._subtilis_tyrS_T_box_leader_RNA 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Specifier_Domain_and_GA_motif_region_of_B._subtilis_tyrS_T_box_leader_RNA 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCN_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCN' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_ct-spin-echo_difference_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C ct-spin-echo difference' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 6.8 . pH pressure 1 . atm 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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-13C HSQC' '3D HCCH-TOCSY' '2D 1H-15N HSQC' '3D HCN' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hairpin 1' _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 5.79 0.03 1 2 1 1 G H8 H 8.11 0.03 1 3 1 1 G C8 C 138.97 0.03 1 4 2 2 G H1 H 12.63 0.03 1 5 2 2 G H1' H 5.89 0.03 1 6 2 2 G H2' H 4.65 0.03 1 7 2 2 G H3' H 4.54 0.03 1 8 2 2 G H4' H 4.51 0.03 1 9 2 2 G H5' H 4.48 0.03 . 10 2 2 G H5'' H 4.19 0.03 . 11 2 2 G H8 H 7.46 0.03 1 12 2 2 G C1' C 92.67 0.03 1 13 2 2 G C2' C 75.42 0.03 1 14 2 2 G C3' C 72.83 0.03 1 15 2 2 G C4' C 82.09 0.03 1 16 2 2 G C5' C 65.68 0.03 1 17 2 2 G C8 C 136.51 0.03 1 18 2 2 G N1 N 147.30 0.06 1 19 3 3 G H1 H 12.20 0.03 1 20 3 3 G H1' H 5.74 0.03 1 21 3 3 G H2' H 4.65 0.03 1 22 3 3 G H3' H 4.54 0.03 1 23 3 3 G H4' H 4.51 0.03 1 24 3 3 G H5' H 4.20 0.03 . 25 3 3 G H5'' H 4.13 0.03 . 26 3 3 G H8 H 7.13 0.03 1 27 3 3 G C1' C 92.67 0.03 1 28 3 3 G C2' C 75.42 0.03 1 29 3 3 G C3' C 72.82 0.03 1 30 3 3 G C4' C 82.09 0.03 1 31 3 3 G C5' C 65.68 0.03 1 32 3 3 G C8 C 135.97 0.03 1 33 3 3 G N1 N 147.06 0.06 1 34 4 4 A H1' H 5.91 0.03 1 35 4 4 A H2 H 7.45 0.03 1 36 4 4 A H2' H 4.65 0.03 1 37 4 4 A H3' H 4.53 0.03 1 38 4 4 A H4' H 4.46 0.03 1 39 4 4 A H5' H 4.49 0.03 . 40 4 4 A H5'' H 4.08 0.03 . 41 4 4 A H8 H 7.61 0.03 1 42 4 4 A C1' C 92.84 0.03 1 43 4 4 A C2 C 153.04 0.03 1 44 4 4 A C2' C 75.48 0.03 1 45 4 4 A C3' C 72.77 0.03 1 46 4 4 A C4' C 72.77 0.03 1 47 4 4 A C5' C 81.80 0.03 1 48 4 4 A C8 C 139.10 0.03 1 49 5 5 G H1 H 13.28 0.03 1 50 5 5 G H1' H 5.53 0.03 1 51 5 5 G H2' H 4.32 0.03 1 52 5 5 G H3' H 4.39 0.03 1 53 5 5 G H4' H 4.36 0.03 1 54 5 5 G H5' H 4.37 0.03 . 55 5 5 G H5'' H 3.97 0.03 . 56 5 5 G H8 H 7.02 0.03 1 57 5 5 G C1' C 92.67 0.03 1 58 5 5 G C2' C 75.20 0.03 1 59 5 5 G C3' C 73.00 0.03 1 60 5 5 G C4' C 81.90 0.03 1 61 5 5 G C5' C 65.82 0.03 1 62 5 5 G C6 C 162.32 0.03 1 63 5 5 G C8 C 135.73 0.03 1 64 5 5 G N1 N 147.77 0.06 1 65 6 6 U H1' H 5.49 0.03 1 66 6 6 U H2' H 4.40 0.03 1 67 6 6 U H3 H 12.47 0.03 1 68 6 6 U H3' H 4.36 0.03 1 69 6 6 U H4' H 4.33 0.03 1 70 6 6 U H5 H 4.98 0.03 1 71 6 6 U H5' H 4.41 0.03 . 72 6 6 U H5'' H 4.01 0.03 . 73 6 6 U H6 H 7.42 0.03 1 74 6 6 U C1' C 92.98 0.03 1 75 6 6 U C2' C 75.45 0.03 1 76 6 6 U C3' C 72.72 0.03 1 77 6 6 U C4' C 82.23 0.03 1 78 6 6 U C5 C 103.06 0.03 1 79 6 6 U C5' C 64.75 0.03 1 80 6 6 U C6 C 140.81 0.03 1 81 6 6 U N3 N 157.35 0.06 1 82 7 7 A H1' H 5.64 0.03 1 83 7 7 A H2 H 6.92 0.03 1 84 7 7 A H2' H 4.24 0.03 1 85 7 7 A H3' H 4.44 0.03 1 86 7 7 A H4' H 4.42 0.03 1 87 7 7 A H5' H 4.32 0.03 . 88 7 7 A H5'' H 4.05 0.03 . 89 7 7 A H8 H 7.89 0.03 1 90 7 7 A C1' C 92.47 0.03 1 91 7 7 A C2 C 153.61 0.03 1 92 7 7 A C2' C 75.48 0.03 1 93 7 7 A C3' C 74.12 0.03 1 94 7 7 A C4' C 82.84 0.03 1 95 7 7 A C5' C 66.06 0.03 1 96 7 7 A C8 C 139.81 0.03 1 97 8 8 A H1' H 5.24 0.03 1 98 8 8 A H2 H 7.40 0.03 1 99 8 8 A H2' H 4.16 0.03 1 100 8 8 A H3' H 4.45 0.03 1 101 8 8 A H4' H 4.07 0.03 1 102 8 8 A H5' H 4.17 0.03 . 103 8 8 A H5'' H 3.97 0.03 . 104 8 8 A H8 H 7.63 0.03 1 105 8 8 A C1' C 90.80 0.03 1 106 8 8 A C2 C 154.36 0.03 1 107 8 8 A C2' C 75.25 0.03 1 108 8 8 A C3' C 75.14 0.03 1 109 8 8 A C4' C 83.72 0.03 1 110 8 8 A C5' C 66.15 0.03 1 111 8 8 A C8 C 140.54 0.03 1 112 9 9 A H1' H 5.64 0.03 1 113 9 9 A H2 H 7.65 0.03 1 114 9 9 A H2' H 4.35 0.03 1 115 9 9 A H3' H 4.45 0.03 1 116 9 9 A H4' H 4.37 0.03 1 117 9 9 A H5' H 4.07 0.03 . 118 9 9 A H5'' H 3.95 0.03 . 119 9 9 A H8 H 7.88 0.03 1 120 9 9 A C1' C 89.78 0.03 1 121 9 9 A C2 C 154.73 0.03 1 122 9 9 A C2' C 75.40 0.03 1 123 9 9 A C3' C 72.50 0.03 1 124 9 9 A C4' C 84.47 0.03 1 125 9 9 A C5' C 67.13 0.03 1 126 9 9 A C8 C 141.10 0.03 1 127 10 10 G H1' H 5.70 0.03 1 128 10 10 G H2' H 4.88 0.03 1 129 10 10 G H3' H 4.89 0.03 1 130 10 10 G H4' H 4.64 0.03 1 131 10 10 G H5' H 4.20 0.03 . 132 10 10 G H5'' H 4.13 0.03 . 133 10 10 G H8 H 7.96 0.03 1 134 10 10 G C1' C 87.90 0.03 1 135 10 10 G C2' C 77.59 0.03 1 136 10 10 G C3' C 75.19 0.03 1 137 10 10 G C4' C 86.00 0.03 1 138 10 10 G C5' C 67.97 0.03 1 139 10 10 G C8 C 139.13 0.03 1 140 11 11 A H1' H 5.54 0.03 1 141 11 11 A H2 H 8.05 0.03 1 142 11 11 A H2' H 4.71 0.03 1 143 11 11 A H3' H 4.38 0.03 1 144 11 11 A H4' H 4.51 0.03 1 145 11 11 A H5' H 4.44 0.03 . 146 11 11 A H5'' H 4.21 0.03 . 147 11 11 A H8 H 8.06 0.03 1 148 11 11 A C1' C 92.45 0.03 1 149 11 11 A C2 C 155.02 0.03 1 150 11 11 A C2' C 75.48 0.03 1 151 11 11 A C3' C 73.19 0.03 1 152 11 11 A C4' C 82.75 0.03 1 153 11 11 A C5' C 66.29 0.03 1 154 11 11 A C8 C 140.34 0.03 1 155 12 12 U H1' H 4.61 0.03 1 156 12 12 U H2' H 4.22 0.03 1 157 12 12 U H3 H 10.85 0.03 1 158 12 12 U H3' H 4.23 0.03 1 159 12 12 U H4' H 4.59 0.03 1 160 12 12 U H5 H 5.50 0.03 1 161 12 12 U H5' H 4.30 0.03 . 162 12 12 U H5'' H 4.05 0.03 . 163 12 12 U H6 H 7.36 0.03 1 164 12 12 U C1' C 93.80 0.03 1 165 12 12 U C2' C 74.71 0.03 1 166 12 12 U C3' C 72.35 0.03 1 167 12 12 U C4' C 83.23 0.03 1 168 12 12 U C5 C 103.74 0.03 1 169 12 12 U C5' C 64.89 0.03 1 170 12 12 U C6 C 141.41 0.03 1 171 12 12 U N3 N 156.90 0.06 1 172 13 13 U H1' H 5.63 0.03 1 173 13 13 U H2' H 4.54 0.03 1 174 13 13 U H3 H 14.09 0.03 1 175 13 13 U H3' H 4.62 0.03 1 176 13 13 U H4' H 4.37 0.03 1 177 13 13 U H5 H 5.63 0.03 1 178 13 13 U H5' H 4.44 0.03 . 179 13 13 U H5'' H 4.07 0.03 . 180 13 13 U H6 H 7.93 0.03 1 181 13 13 U C1' C 92.31 0.03 1 182 13 13 U C2' C 75.57 0.03 1 183 13 13 U C3' C 73.47 0.03 1 184 13 13 U C4' C 82.47 0.03 1 185 13 13 U C5 C 153.74 0.03 1 186 13 13 U C5' C 64.61 0.03 1 187 13 13 U C6 C 169.95 0.03 1 188 13 13 U N3 N 162.74 0.06 1 189 14 14 G H1 H 11.30 0.03 1 190 14 14 G H1' H 5.74 0.03 1 191 14 14 G H2' H 4.58 0.03 1 192 14 14 G H3' H 4.55 0.03 1 193 14 14 G H4' H 4.51 0.03 1 194 14 14 G H5' H 4.44 0.03 . 195 14 14 G H5'' H 4.21 0.03 . 196 14 14 G H8 H 7.72 0.03 1 197 14 14 G C1' C 92.61 0.03 1 198 14 14 G C2' C 75.25 0.03 1 199 14 14 G C3' C 73.38 0.03 1 200 14 14 G C4' C 82.23 0.03 1 201 14 14 G C5' C 66.76 0.03 1 202 14 14 G C8 C 137.00 0.03 1 203 14 14 G N1 N 145.20 0.06 1 204 15 15 A H1' H 5.83 0.03 1 205 15 15 A H2 H 7.31 0.03 1 206 15 15 A H2' H 4.53 0.03 1 207 15 15 A H3' H 4.60 0.03 1 208 15 15 A H4' H 4.44 0.03 1 209 15 15 A H8 H 7.67 0.03 1 210 15 15 A C1' C 92.71 0.03 1 211 15 15 A C2 C 153.05 0.03 1 212 15 15 A C2' C 76.01 0.03 1 213 15 15 A C3' C 76.15 0.03 1 214 15 15 A C4' C 76.15 0.03 1 215 15 15 A C8 C 139.17 0.03 1 216 16 16 G H1 H 12.69 0.03 1 217 16 16 G H1' H 5.37 0.03 1 218 16 16 G H2' H 4.37 0.03 1 219 16 16 G H4' H 4.16 0.03 1 220 16 16 G H8 H 6.88 0.03 1 221 16 16 G C1' C 93.05 0.03 1 222 16 16 G C2' C 74.68 0.03 1 223 16 16 G C3' C 71.97 0.03 1 224 16 16 G C4' C 81.15 0.03 1 225 16 16 G C8 C 141.26 0.03 1 226 16 16 G N1 N 147.38 0.06 1 227 17 17 A H1' H 5.76 0.03 1 228 17 17 A H2 H 8.06 0.03 1 229 17 17 A H2' H 4.44 0.03 1 230 17 17 A H3' H 4.28 0.03 1 231 17 17 A H8 H 7.71 0.03 1 232 17 17 A C1' C 91.96 0.03 1 233 17 17 A C2 C 154.66 0.03 1 234 17 17 A C2' C 76.76 0.03 1 235 17 17 A C3' C 75.92 0.03 1 236 17 17 A C8 C 139.85 0.03 1 237 18 18 C H1' H 5.33 0.03 1 238 18 18 C H2' H 4.29 0.03 1 239 18 18 C H3' H 4.16 0.03 1 240 18 18 C H5 H 5.03 0.03 1 241 18 18 C H6 H 7.18 0.03 1 242 18 18 C C1' C 91.96 0.03 1 243 18 18 C C2' C 76.76 0.03 1 244 18 18 C C3' C 75.92 0.03 1 245 18 18 C C5 C 96.40 0.03 1 246 18 18 C C6 C 141.75 0.03 1 247 19 19 A H1' H 5.75 0.03 1 248 19 19 A H2 H 7.50 0.03 1 249 19 19 A H3' H 4.58 0.03 1 250 19 19 A H4' H 4.47 0.03 1 251 19 19 A H8 H 7.92 0.03 1 252 19 19 A C1' C 89.26 0.03 1 253 19 19 A C2 C 154.88 0.03 1 254 19 19 A C3' C 76.11 0.03 1 255 19 19 A C4' C 85.06 0.03 1 256 19 19 A C8 C 141.90 0.03 1 257 20 20 A H1' H 5.68 0.03 1 258 20 20 A H2 H 7.76 0.03 1 259 20 20 A H2' H 4.19 0.03 1 260 20 20 A H3' H 4.64 0.03 1 261 20 20 A H4' H 4.58 0.03 1 262 20 20 A H5' H 4.18 0.03 . 263 20 20 A H5'' H 4.15 0.03 . 264 20 20 A H8 H 7.91 0.03 1 265 20 20 A C1' C 88.48 0.03 1 266 20 20 A C2 C 155.25 0.03 1 267 20 20 A C2' C 74.95 0.03 1 268 20 20 A C4' C 85.08 0.03 1 269 20 20 A C5' C 66.57 0.03 1 270 20 20 A C8 C 140.33 0.03 1 271 21 21 G H1' H 5.85 0.03 1 272 21 21 G H2' H 4.80 0.03 1 273 21 21 G H3' H 4.78 0.03 1 274 21 21 G H4' H 4.52 0.03 1 275 21 21 G H5' H 4.27 0.03 . 276 21 21 G H5'' H 4.06 0.03 . 277 21 21 G H8 H 8.00 0.03 1 278 21 21 G C1' C 84.94 0.03 1 279 21 21 G C2' C 78.43 0.03 1 280 21 21 G C3' C 73.35 0.03 1 281 21 21 G C4' C 83.71 0.03 1 282 21 21 G C5' C 68.00 0.03 1 283 21 21 G C8 C 138.60 0.03 1 284 22 22 U H1' H 5.40 0.03 1 285 22 22 U H2' H 4.60 0.03 1 286 22 22 U H3' H 4.74 0.03 1 287 22 22 U H4' H 4.45 0.03 1 288 22 22 U H5 H 5.81 0.03 1 289 22 22 U H5' H 4.51 0.03 . 290 22 22 U H5'' H 4.08 0.03 . 291 22 22 U H6 H 7.92 0.03 1 292 22 22 U C1' C 94.01 0.03 1 293 22 22 U C2' C 74.68 0.03 1 294 22 22 U C3' C 74.35 0.03 1 295 22 22 U C4' C 82.90 0.03 1 296 22 22 U C5 C 102.84 0.03 1 297 22 22 U C5' C 63.13 0.03 1 298 22 22 U C6 C 142.99 0.03 1 299 23 23 A H1' H 5.83 0.03 1 300 23 23 A H2 H 7.00 0.03 1 301 23 23 A H2' H 4.72 0.03 1 302 23 23 A H3' H 4.55 0.03 1 303 23 23 A H4' H 4.48 0.03 1 304 23 23 A H5' H 4.17 0.03 . 305 23 23 A H5'' H 4.03 0.03 . 306 23 23 A H8 H 7.56 0.03 1 307 23 23 A C1' C 91.54 0.03 1 308 23 23 A C2 C 153.74 0.03 1 309 23 23 A C2' C 74.73 0.03 1 310 23 23 A C3' C 74.52 0.03 1 311 23 23 A C4' C 81.41 0.03 1 312 23 23 A C5' C 65.42 0.03 1 313 23 23 A C8 C 139.34 0.03 1 314 24 24 G H1 H 12.56 0.03 1 315 24 24 G H1' H 4.19 0.03 1 316 24 24 G H3' H 4.46 0.03 1 317 24 24 G H4' H 4.23 0.03 1 318 24 24 G H8 H 7.37 0.03 1 319 24 24 G C1' C 91.25 0.03 1 320 24 24 G C3' C 71.82 0.03 1 321 24 24 G C4' C 80.94 0.03 1 322 24 24 G C8 C 136.15 0.03 1 323 24 24 G N1 N 147.88 0.06 1 324 25 25 G H1 H 12.18 0.03 1 325 25 25 G H1' H 5.61 0.03 1 326 25 25 G H2' H 4.48 0.03 1 327 25 25 G H3' H 4.33 0.03 1 328 25 25 G H4' H 4.40 0.03 1 329 25 25 G H5' H 4.39 0.03 . 330 25 25 G H5'' H 3.96 0.03 . 331 25 25 G H8 H 6.97 0.03 1 332 25 25 G C1' C 92.16 0.03 1 333 25 25 G C2' C 74.60 0.03 1 334 25 25 G C3' C 71.70 0.03 1 335 25 25 G C4' C 81.10 0.03 1 336 25 25 G C5' C 64.02 0.03 1 337 25 25 G C8 C 136.20 0.03 1 338 25 25 G N1 N 147.28 0.06 1 339 26 26 A H1' H 5.96 0.03 1 340 26 26 A H2 H 7.91 0.03 1 341 26 26 A H2' H 4.56 0.03 1 342 26 26 A H4' H 4.43 0.03 1 343 26 26 A H5' H 4.53 0.03 . 344 26 26 A H5'' H 4.07 0.03 . 345 26 26 A H8 H 7.75 0.03 1 346 26 26 A C1' C 91.96 0.03 1 347 26 26 A C2 C 155.42 0.03 1 348 26 26 A C2' C 74.76 0.03 1 349 26 26 A C4' C 81.40 0.03 1 350 26 26 A C5' C 63.96 0.03 1 351 26 26 A C8 C 139.63 0.03 1 352 27 27 C H1' H 5.30 0.03 1 353 27 27 C H2' H 4.34 0.03 1 354 27 27 C H3' H 4.09 0.03 1 355 27 27 C H4' H 4.38 0.03 1 356 27 27 C H5 H 5.12 0.03 1 357 27 27 C H5' H 4.38 0.03 . 358 27 27 C H5'' H 3.97 0.03 . 359 27 27 C H6 H 7.14 0.03 1 360 27 27 C C1' C 92.97 0.03 1 361 27 27 C C2' C 74.68 0.03 1 362 27 27 C C3' C 71.36 0.03 1 363 27 27 C C4' C 81.06 0.03 1 364 27 27 C C5 C 96.57 0.03 1 365 27 27 C C5' C 64.18 0.03 1 366 27 27 C C6 C 140.48 0.03 1 367 28 28 U H1' H 5.63 0.03 1 368 28 28 U H2' H 3.76 0.03 1 369 28 28 U H3 H 11.72 0.03 1 370 28 28 U H3' H 4.49 0.03 1 371 28 28 U H4' H 4.33 0.03 1 372 28 28 U H5 H 5.58 0.03 1 373 28 28 U H5' H 4.46 0.03 . 374 28 28 U H5'' H 4.04 0.03 . 375 28 28 U H6 H 7.70 0.03 1 376 28 28 U C1' C 93.60 0.03 1 377 28 28 U C2' C 76.06 0.03 1 378 28 28 U C3' C 72.24 0.03 1 379 28 28 U C4' C 81.58 0.03 1 380 28 28 U C5 C 104.09 0.03 1 381 28 28 U C5' C 63.06 0.03 1 382 28 28 U C6 C 141.03 0.03 1 383 28 28 U N3 N 156.68 0.06 1 384 29 29 U H1' H 6.07 0.03 1 385 29 29 U H2' H 4.63 0.03 1 386 29 29 U H3' H 4.00 0.03 1 387 29 29 U H4' H 4.46 0.03 1 388 29 29 U H5 H 5.83 0.03 1 389 29 29 U H5' H 4.21 0.03 . 390 29 29 U H5'' H 4.02 0.03 . 391 29 29 U H6 H 8.00 0.03 1 392 29 29 U C1' C 88.38 0.03 1 393 29 29 U C2' C 73.72 0.03 1 394 29 29 U C3' C 76.96 0.03 1 395 29 29 U C4' C 86.13 0.03 1 396 29 29 U C5 C 104.63 0.03 1 397 29 29 U C5' C 66.91 0.03 1 398 29 29 U C6 C 144.94 0.03 1 399 30 30 C H1' H 5.94 0.03 1 400 30 30 C H2' H 4.07 0.03 1 401 30 30 C H3' H 4.46 0.03 1 402 30 30 C H4' H 3.78 0.03 1 403 30 30 C H5 H 6.08 0.03 1 404 30 30 C H5' H 3.58 0.03 . 405 30 30 C H5'' H 2.70 0.03 . 406 30 30 C H6 H 7.67 0.03 1 407 30 30 C C1' C 88.25 0.03 1 408 30 30 C C2' C 76.78 0.03 1 409 30 30 C C3' C 79.40 0.03 1 410 30 30 C C4' C 83.68 0.03 1 411 30 30 C C5 C 97.64 0.03 1 412 30 30 C C5' C 66.47 0.03 1 413 30 30 C C6 C 143.10 0.03 1 414 31 31 G H1 H 9.84 0.03 1 415 31 31 G H1' H 5.94 0.03 1 416 31 31 G H2' H 4.82 0.03 1 417 31 31 G H3' H 5.61 0.03 1 418 31 31 G H4' H 4.39 0.03 1 419 31 31 G H5' H 4.40 0.03 . 420 31 31 G H5'' H 4.18 0.03 . 421 31 31 G H8 H 7.82 0.03 1 422 31 31 G C1' C 93.67 0.03 1 423 31 31 G C2' C 76.43 0.03 1 424 31 31 G C3' C 75.03 0.03 1 425 31 31 G C4' C 82.37 0.03 1 426 31 31 G C5' C 68.13 0.03 1 427 31 31 G C8 C 143.17 0.03 1 428 31 31 G N1 N 143.00 0.06 1 429 32 32 G H1 H 13.45 0.03 1 430 32 32 G H1' H 4.40 0.03 1 431 32 32 G H3' H 4.21 0.03 1 432 32 32 G H8 H 8.30 0.03 1 433 32 32 G C1' C 92.35 0.03 1 434 32 32 G C3' C 75.17 0.03 1 435 32 32 G C8 C 139.26 0.03 1 436 32 32 G N1 N 147.99 0.06 1 437 33 33 U H1' H 5.52 0.03 1 438 33 33 U H2' H 4.49 0.03 1 439 33 33 U H3 H 14.37 0.03 1 440 33 33 U H3' H 4.44 0.03 1 441 33 33 U H4' H 4.50 0.03 1 442 33 33 U H5 H 5.08 0.03 1 443 33 33 U H5' H 4.35 0.03 . 444 33 33 U H5'' H 4.19 0.03 . 445 33 33 U H6 H 7.76 0.03 1 446 33 33 U C1' C 92.99 0.03 1 447 33 33 U C2' C 74.50 0.03 1 448 33 33 U C3' C 71.05 0.03 1 449 33 33 U C4' C 82.08 0.03 1 450 33 33 U C5 C 101.40 0.03 1 451 33 33 U C5' C 66.56 0.03 1 452 33 33 U C6 C 142.34 0.03 1 453 33 33 U N3 N 162.74 0.06 1 454 34 34 C H1' H 5.51 0.03 1 455 34 34 C H2' H 4.35 0.03 1 456 34 34 C H3' H 4.34 0.03 1 457 34 34 C H4' H 4.35 0.03 1 458 34 34 C H5 H 5.59 0.03 1 459 34 34 C H5' H 4.45 0.03 . 460 34 34 C H5'' H 4.03 0.03 . 461 34 34 C H6 H 7.72 0.03 1 462 34 34 C C1' C 93.06 0.03 1 463 34 34 C C2' C 74.76 0.03 1 464 34 34 C C3' C 71.74 0.03 1 465 34 34 C C4' C 81.14 0.03 1 466 34 34 C C5 C 96.86 0.03 1 467 34 34 C C5' C 63.98 0.03 1 468 34 34 C C6 C 141.64 0.03 1 469 35 35 C H1' H 5.27 0.03 1 470 35 35 C H2' H 4.53 0.03 1 471 35 35 C H3' H 4.15 0.03 1 472 35 35 C H4' H 4.35 0.03 1 473 35 35 C H5 H 5.14 0.03 1 474 35 35 C H5' H 4.38 0.03 . 475 35 35 C H5'' H 4.04 0.03 . 476 35 35 C H6 H 7.27 0.03 1 477 35 35 C C1' C 93.64 0.03 1 478 35 35 C C2' C 74.42 0.03 1 479 35 35 C C3' C 71.97 0.03 1 480 35 35 C C4' C 81.23 0.03 1 481 35 35 C C5 C 96.70 0.03 1 482 35 35 C C5' C 64.98 0.03 1 483 35 35 C C6 C 140.79 0.03 1 484 36 36 G H1' H 5.51 0.03 1 485 36 36 G H2' H 4.22 0.03 1 486 36 36 G H3' H 4.78 0.03 1 487 36 36 G H4' H 4.37 0.03 1 488 36 36 G H5' H 4.38 0.03 . 489 36 36 G H5'' H 4.12 0.03 . 490 36 36 G H8 H 7.72 0.03 1 491 36 36 G C1' C 89.65 0.03 1 492 36 36 G C2' C 75.21 0.03 1 493 36 36 G C3' C 72.76 0.03 1 494 36 36 G C4' C 81.32 0.03 1 495 36 36 G C5' C 63.72 0.03 1 496 36 36 G C8 C 136.88 0.03 1 497 37 37 A H1' H 5.75 0.03 1 498 37 37 A H2 H 7.73 0.03 1 499 37 37 A H2' H 4.82 0.03 1 500 37 37 A H3' H 4.25 0.03 1 501 37 37 A H4' H 4.64 0.03 1 502 37 37 A H5' H 4.61 0.03 . 503 37 37 A H5'' H 4.00 0.03 . 504 37 37 A H8 H 7.43 0.03 1 505 37 37 A C1' C 92.88 0.03 1 506 37 37 A C2 C 154.57 0.03 1 507 37 37 A C2' C 74.09 0.03 1 508 37 37 A C3' C 74.66 0.03 1 509 37 37 A C4' C 82.60 0.03 1 510 37 37 A C5' C 69.18 0.03 1 511 37 37 A C8 C 139.95 0.03 1 512 38 38 A H1' H 5.67 0.03 1 513 38 38 A H2 H 7.78 0.03 1 514 38 38 A H2' H 4.32 0.03 1 515 38 38 A H3' H 4.58 0.03 1 516 38 38 A H4' H 4.40 0.03 1 517 38 38 A H5' H 4.37 0.03 . 518 38 38 A H5'' H 4.12 0.03 . 519 38 38 A H8 H 7.80 0.03 1 520 38 38 A C1' C 90.71 0.03 1 521 38 38 A C2 C 155.42 0.03 1 522 38 38 A C2' C 75.57 0.03 1 523 38 38 A C3' C 72.66 0.03 1 524 38 38 A C4' C 82.06 0.03 1 525 38 38 A C5' C 64.33 0.03 1 526 38 38 A C8 C 139.32 0.03 1 527 39 39 U H1' H 5.27 0.03 1 528 39 39 U H2' H 4.15 0.03 1 529 39 39 U H3' H 4.42 0.03 1 530 39 39 U H4' H 4.26 0.03 1 531 39 39 U H5 H 5.26 0.03 1 532 39 39 U H5' H 4.20 0.03 . 533 39 39 U H5'' H 4.03 0.03 . 534 39 39 U H6 H 7.38 0.03 1 535 39 39 U C1' C 91.04 0.03 1 536 39 39 U C2' C 74.68 0.03 1 537 39 39 U C3' C 74.60 0.03 1 538 39 39 U C4' C 83.93 0.03 1 539 39 39 U C5 C 103.74 0.03 1 540 39 39 U C5' C 65.59 0.03 1 541 39 39 U C6 C 142.32 0.03 1 542 40 40 A H1' H 5.76 0.03 1 543 40 40 A H2 H 7.73 0.03 1 544 40 40 A H2' H 4.54 0.03 1 545 40 40 A H3' H 4.46 0.03 1 546 40 40 A H4' H 4.42 0.03 1 547 40 40 A H5' H 4.25 0.03 . 548 40 40 A H5'' H 4.10 0.03 . 549 40 40 A H8 H 8.06 0.03 1 550 40 40 A C1' C 89.99 0.03 1 551 40 40 A C2 C 154.81 0.03 1 552 40 40 A C2' C 74.58 0.03 1 553 40 40 A C3' C 72.59 0.03 1 554 40 40 A C4' C 83.25 0.03 1 555 40 40 A C5' C 66.52 0.03 1 556 40 40 A C8 C 141.33 0.03 1 557 41 41 C H1' H 5.60 0.03 1 558 41 41 C H2' H 3.86 0.03 1 559 41 41 C H3' H 4.08 0.03 1 560 41 41 C H4' H 4.37 0.03 1 561 41 41 C H5 H 5.49 0.03 1 562 41 41 C H6 H 7.55 0.03 1 563 41 41 C C1' C 92.66 0.03 1 564 41 41 C C2' C 76.99 0.03 1 565 41 41 C C3' C 70.33 0.03 1 566 41 41 C C4' C 83.75 0.03 1 567 41 41 C C5 C 97.11 0.03 1 568 41 41 C C6 C 142.49 0.03 1 569 42 42 A H1' H 5.90 0.03 1 570 42 42 A H2 H 8.01 0.03 1 571 42 42 A H2' H 4.65 0.03 1 572 42 42 A H3' H 4.58 0.03 1 573 42 42 A H4' H 4.53 0.03 1 574 42 42 A H8 H 8.19 0.03 1 575 42 42 A C1' C 92.66 0.03 1 576 42 42 A C2 C 97.11 0.03 1 577 42 42 A C2' C 76.99 0.03 1 578 42 42 A C3' C 70.33 0.03 1 579 42 42 A C4' C 83.75 0.03 1 580 42 42 A C8 C 142.49 0.03 1 581 43 43 C H1' H 5.26 0.03 1 582 43 43 C H2' H 4.53 0.03 1 583 43 43 C H3' H 4.13 0.03 1 584 43 43 C H4' H 4.34 0.03 1 585 43 43 C H5 H 5.57 0.03 1 586 43 43 C H6 H 7.58 0.03 1 587 43 43 C C1' C 94.30 0.03 1 588 43 43 C C2' C 74.94 0.03 1 589 43 43 C C3' C 72.84 0.03 1 590 43 43 C C4' C 72.66 0.03 1 591 43 43 C C5 C 97.91 0.03 1 592 43 43 C C6 C 138.12 0.03 1 593 44 44 U H1' H 5.51 0.03 1 594 44 44 U H2' H 4.28 0.03 1 595 44 44 U H3 H 13.95 0.03 1 596 44 44 U H4' H 4.39 0.03 1 597 44 44 U H5 H 5.33 0.03 1 598 44 44 U H6 H 7.89 0.03 1 599 44 44 U C1' C 93.64 0.03 1 600 44 44 U C2' C 76.11 0.03 1 601 44 44 U C4' C 81.65 0.03 1 602 44 44 U C5 C 154.13 0.03 1 603 44 44 U C6 C 140.18 0.03 1 604 44 44 U N3 N 162.52 0.06 1 605 45 45 C H1' H 5.48 0.03 1 606 45 45 C H2' H 4.62 0.03 1 607 45 45 C H3' H 4.49 0.03 1 608 45 45 C H4' H 4.41 0.03 1 609 45 45 C H5 H 5.56 0.03 1 610 45 45 C H5' H 4.50 0.03 . 611 45 45 C H5'' H 4.07 0.03 . 612 45 45 C H6 H 7.74 0.03 1 613 45 45 C C1' C 93.58 0.03 1 614 45 45 C C2' C 75.32 0.03 1 615 45 45 C C3' C 72.35 0.03 1 616 45 45 C C4' C 81.63 0.03 1 617 45 45 C C5 C 97.84 0.03 1 618 45 45 C C5' C 64.56 0.03 1 619 45 45 C C6 C 141.12 0.03 1 620 46 46 A H1' H 5.76 0.03 1 621 46 46 A H2 H 7.25 0.03 1 622 46 46 A H2' H 4.44 0.03 1 623 46 46 A H3' H 4.22 0.03 1 624 46 46 A H4' H 4.45 0.03 1 625 46 46 A H5' H 4.43 0.03 . 626 46 46 A H5'' H 4.06 0.03 . 627 46 46 A H8 H 7.72 0.03 1 628 46 46 A C1' C 93.31 0.03 1 629 46 46 A C2 C 152.60 0.03 1 630 46 46 A C2' C 75.38 0.03 1 631 46 46 A C3' C 72.77 0.03 1 632 46 46 A C4' C 82.14 0.03 1 633 46 46 A C5' C 65.78 0.03 1 634 46 46 A C8 C 138.99 0.03 1 635 47 47 U H1' H 5.02 0.03 1 636 47 47 U H2' H 3.71 0.03 1 637 47 47 U H3 H 10.92 0.03 1 638 47 47 U H3' H 4.12 0.03 1 639 47 47 U H4' H 4.18 0.03 1 640 47 47 U H5 H 4.95 0.03 1 641 47 47 U H5' H 4.33 0.03 . 642 47 47 U H5'' H 3.97 0.03 . 643 47 47 U H6 H 6.88 0.03 1 644 47 47 U C1' C 94.06 0.03 1 645 47 47 U C2' C 75.45 0.03 1 646 47 47 U C3' C 71.74 0.03 1 647 47 47 U C4' C 82.84 0.03 1 648 47 47 U C5 C 104.10 0.03 1 649 47 47 U C5' C 63.96 0.03 1 650 47 47 U C6 C 138.61 0.03 1 651 47 47 U N3 N 156.46 0.06 1 652 48 48 G H1 H 10.09 0.03 1 653 48 48 G H1' H 5.66 0.03 1 654 48 48 G H2' H 4.82 0.03 1 655 48 48 G H3' H 4.90 0.03 1 656 48 48 G H4' H 4.67 0.03 1 657 48 48 G H5' H 4.23 0.03 . 658 48 48 G H5'' H 4.03 0.03 . 659 48 48 G H8 H 7.98 0.03 1 660 48 48 G C1' C 87.95 0.03 1 661 48 48 G C2' C 75.21 0.03 1 662 48 48 G C3' C 75.52 0.03 1 663 48 48 G C4' C 86.66 0.03 1 664 48 48 G C5' C 67.18 0.03 1 665 48 48 G C8 C 138.72 0.03 1 666 48 48 G N1 N 145.75 0.03 1 667 49 49 A H1' H 5.84 0.03 1 668 49 49 A H2 H 7.98 0.03 1 669 49 49 A H2' H 4.60 0.03 1 670 49 49 A H3' H 4.80 0.03 1 671 49 49 A H4' H 4.50 0.03 1 672 49 49 A H5' H 4.18 0.03 . 673 49 49 A H5'' H 4.08 0.03 . 674 49 49 A H8 H 7.89 0.03 1 675 49 49 A C1' C 89.86 0.03 1 676 49 49 A C2 C 155.00 0.03 1 677 49 49 A C2' C 75.40 0.03 1 678 49 49 A C3' C 77.56 0.03 1 679 49 49 A C4' C 85.40 0.03 1 680 49 49 A C5' C 67.97 0.03 1 681 49 49 A C8 C 140.74 0.03 1 682 50 50 A H1' H 5.87 0.03 1 683 50 50 A H2 H 7.57 0.03 1 684 50 50 A H2' H 3.99 0.03 1 685 50 50 A H3' H 4.25 0.03 1 686 50 50 A H4' H 4.60 0.03 1 687 50 50 A H5' H 4.50 0.03 . 688 50 50 A H5'' H 4.28 0.03 . 689 50 50 A H8 H 8.32 0.03 1 690 50 50 A C1' C 91.71 0.03 1 691 50 50 A C2 C 153.42 0.03 1 692 50 50 A C2' C 77.62 0.03 1 693 50 50 A C3' C 69.97 0.03 1 694 50 50 A C4' C 83.21 0.03 1 695 50 50 A C5' C 66.99 0.03 1 696 50 50 A C8 C 141.10 0.03 1 697 51 51 C H1' H 5.42 0.03 1 698 51 51 C H2' H 4.23 0.03 1 699 51 51 C H3' H 4.31 0.03 1 700 51 51 C H4' H 4.41 0.03 1 701 51 51 C H5 H 5.18 0.03 1 702 51 51 C H5' H 4.44 0.03 . 703 51 51 C H5'' H 4.13 0.03 . 704 51 51 C H6 H 7.53 0.03 1 705 51 51 C C1' C 93.98 0.03 1 706 51 51 C C2' C 75.39 0.03 1 707 51 51 C C3' C 72.54 0.03 1 708 51 51 C C4' C 82.00 0.03 1 709 51 51 C C5 C 97.07 0.03 1 710 51 51 C C5' C 65.54 0.03 1 711 51 51 C C6 C 141.19 0.03 1 712 52 52 U H1' H 5.50 0.03 1 713 52 52 U H2' H 4.48 0.03 1 714 52 52 U H3 H 14.01 0.03 1 715 52 52 U H3' H 4.50 0.03 1 716 52 52 U H4' H 4.40 0.03 1 717 52 52 U H5 H 5.30 0.03 1 718 52 52 U H5' H 4.52 0.03 . 719 52 52 U H5'' H 4.05 0.03 . 720 52 52 U H6 H 7.91 0.03 1 721 52 52 U C1' C 93.59 0.03 1 722 52 52 U C2' C 75.01 0.03 1 723 52 52 U C3' C 72.35 0.03 1 724 52 52 U C4' C 81.81 0.03 1 725 52 52 U C5 C 103.03 0.03 1 726 52 52 U C5' C 64.33 0.03 1 727 52 52 U C6 C 142.19 0.03 1 728 52 52 U N3 N 162.46 0.06 1 729 53 53 C H1' H 5.42 0.03 1 730 53 53 C H2' H 4.28 0.03 1 731 53 53 C H3' H 4.45 0.03 1 732 53 53 C H4' H 4.39 0.03 1 733 53 53 C H5 H 5.61 0.03 1 734 53 53 C H5' H 4.49 0.03 . 735 53 53 C H5'' H 4.05 0.03 . 736 53 53 C H6 H 7.88 0.03 1 737 53 53 C C1' C 93.91 0.03 1 738 53 53 C C2' C 75.25 0.03 1 739 53 53 C C3' C 72.21 0.03 1 740 53 53 C C4' C 82.09 0.03 1 741 53 53 C C5 C 97.22 0.03 1 742 53 53 C C5' C 64.70 0.03 1 743 53 53 C C6 C 141.76 0.03 1 744 54 54 C H1' H 5.41 0.03 1 745 54 54 C H2' H 4.19 0.03 1 746 54 54 C H3' H 4.44 0.03 1 747 54 54 C H4' H 4.32 0.03 1 748 54 54 C H5 H 5.41 0.03 1 749 54 54 C H5' H 4.52 0.03 . 750 54 54 C H5'' H 4.01 0.03 . 751 54 54 C H6 H 7.77 0.03 1 752 54 54 C C1' C 94.19 0.03 1 753 54 54 C C2' C 75.29 0.03 1 754 54 54 C C3' C 71.84 0.03 1 755 54 54 C C4' C 81.72 0.03 1 756 54 54 C C5 C 97.28 0.03 1 757 54 54 C C5' C 64.19 0.03 1 758 54 54 C C6 C 141.44 0.03 1 759 55 55 C H1' H 5.70 0.03 1 760 55 55 C H2' H 3.94 0.03 1 761 55 55 C H3' H 4.13 0.03 1 762 55 55 C H4' H 4.12 0.03 1 763 55 55 C H5 H 5.43 0.03 1 764 55 55 C H5' H 4.43 0.03 . 765 55 55 C H5'' H 3.98 0.03 . 766 55 55 C H6 H 7.63 0.03 1 767 55 55 C C1' C 92.69 0.03 1 768 55 55 C C2' C 77.34 0.03 1 769 55 55 C C3' C 69.51 0.03 1 770 55 55 C C4' C 83.49 0.03 1 771 55 55 C C5 C 97.88 0.03 1 772 55 55 C C5' C 65.08 0.03 1 773 55 55 C C6 C 141.75 0.03 1 stop_ save_