data_15745 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of stem-loop alpha; of the hepatitis B virus post-transcriptional regulatory element ; _BMRB_accession_number 15745 _BMRB_flat_file_name bmr15745.str _Entry_type original _Submission_date 2008-04-28 _Accession_date 2008-04-28 _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 Ohlenschlager Oliver . . 2 Gorlach Matthias . . 3 Schwalbe Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 195 "13C chemical shifts" 145 "15N chemical shifts" 50 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-25 original author . stop_ _Original_release_date 2008-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18263618 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schwalbe Martin . . 2 Ohlenschlager Oliver . . 3 Marchanka Aliaksandr . . 4 Ramachandran Ramadurai . . 5 Hafner Sabine . . 6 Heise Tilman . . 7 Gorlach Matthias . . stop_ _Journal_abbreviation 'Nucleic Acids Research' _Journal_volume 36 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1681 _Page_last 1689 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HBV stem-loop alpha;' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')' $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_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass 7105.313 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; GGCUCGCAGCAGGUCUGGAG UC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 U 5 C 6 G 7 C 8 A 9 G 10 C 11 A 12 G 13 G 14 U 15 C 16 U 17 G 18 G 19 A 20 G 21 U 22 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB D00329 HSLAap . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $RNA 'hepatitis B virus' 10407 Virus . Orthohepadnavirus 'Hepatitis B virus' 'HBV strain D00329' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $RNA 'recombinant technology' . Escherichia coli K12 DH5945; pUC19 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' D2O 10 % . H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' D2O 99 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task collection refinement 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 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.2 . pH pressure 1 . atm temperature 283 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio dioxane C 13 'methylene carbons' ppm 67.83 external direct . . . 1.0 water H 1 protons ppm 4.73 external direct . . . 1.0 '[15N] ammonium chloride' N 15 nitrogen ppm 24.93 external direct . . . 1.0 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 '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')' _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 12.960 0.02 1 2 1 1 G H1' H 5.830 0.02 1 3 1 1 G H2' H 4.830 0.02 1 4 1 1 G H3' H 4.720 0.02 1 5 1 1 G H4' H 4.570 0.02 1 6 1 1 G H5' H 4.450 0.02 2 7 1 1 G H5'' H 4.290 0.02 2 8 1 1 G H8 H 8.190 0.02 1 9 1 1 G C1' C 90.140 0.30 1 10 1 1 G C2' C 73.700 0.30 1 11 1 1 G C3' C 72.910 0.30 1 12 1 1 G C4' C 81.720 0.30 1 13 1 1 G C5' C 65.560 0.30 1 14 1 1 G C8 C 137.570 0.30 1 15 1 1 G N1 N 149.790 0.30 1 16 1 1 G N9 N 170.360 0.30 1 17 2 2 G H1 H 11.720 0.02 1 18 2 2 G H1' H 5.930 0.02 1 19 2 2 G H2' H 4.750 0.02 1 20 2 2 G H3' H 4.460 0.02 1 21 2 2 G H4' H 4.550 0.02 1 22 2 2 G H5' H 4.510 0.02 2 23 2 2 G H5'' H 4.270 0.02 2 24 2 2 G H8 H 7.590 0.02 1 25 2 2 G H21 H 6.280 0.02 2 26 2 2 G H22 H 6.280 0.02 2 27 2 2 G C1' C 91.640 0.30 1 28 2 2 G C2' C 73.630 0.30 1 29 2 2 G C3' C 71.280 0.30 1 30 2 2 G C4' C 80.880 0.30 1 31 2 2 G C5' C 64.430 0.30 1 32 2 2 G C8 C 135.700 0.30 1 33 2 2 G N1 N 147.220 0.30 1 34 2 2 G N2 N 74.540 0.30 1 35 2 2 G N9 N 171.740 0.30 1 36 3 3 C H1' H 5.540 0.02 1 37 3 3 C H2' H 4.320 0.02 1 38 3 3 C H3' H 4.500 0.02 1 39 3 3 C H4' H 4.440 0.02 1 40 3 3 C H5 H 5.470 0.02 1 41 3 3 C H5' H 4.550 0.02 2 42 3 3 C H5'' H 4.110 0.02 2 43 3 3 C H6 H 7.760 0.02 1 44 3 3 C H41 H 8.370 0.02 2 45 3 3 C H42 H 7.020 0.02 2 46 3 3 C C1' C 92.360 0.30 1 47 3 3 C C2' C 73.950 0.30 1 48 3 3 C C3' C 70.320 0.30 1 49 3 3 C C4' C 80.340 0.30 1 50 3 3 C C5 C 95.800 0.30 1 51 3 3 C C5' C 62.460 0.30 1 52 3 3 C C6 C 139.080 0.30 1 53 3 3 C N1 N 153.080 0.30 1 54 3 3 C N3 N 198.720 0.30 1 55 3 3 C N4 N 100.910 0.30 1 56 4 4 U H1' H 5.540 0.02 1 57 4 4 U H2' H 4.390 0.02 1 58 4 4 U H3 H 14.250 0.02 1 59 4 4 U H3' H 4.510 0.02 1 60 4 4 U H4' H 4.410 0.02 1 61 4 4 U H5 H 5.420 0.02 1 62 4 4 U H5' H 4.550 0.02 2 63 4 4 U H5'' H 4.090 0.02 2 64 4 4 U H6 H 7.880 0.02 1 65 4 4 U C1' C 92.680 0.30 1 66 4 4 U C2' C 73.560 0.30 1 67 4 4 U C3' C 70.520 0.30 1 68 4 4 U C4' C 80.600 0.30 1 69 4 4 U C5 C 101.830 0.30 1 70 4 4 U C5' C 62.780 0.30 1 71 4 4 U C6 C 140.490 0.30 1 72 4 4 U N1 N 147.810 0.30 1 73 4 4 U N3 N 164.330 0.30 1 74 5 5 C H1' H 5.790 0.02 1 75 5 5 C H2' H 4.210 0.02 1 76 5 5 C H3' H 4.640 0.02 1 77 5 5 C H4' H 4.390 0.02 1 78 5 5 C H5 H 5.680 0.02 1 79 5 5 C H5' H 4.540 0.02 2 80 5 5 C H5'' H 4.160 0.02 2 81 5 5 C H6 H 7.770 0.02 1 82 5 5 C H41 H 8.470 0.02 2 83 5 5 C H42 H 6.930 0.02 2 84 5 5 C C1' C 91.060 0.30 1 85 5 5 C C2' C 75.070 0.30 1 86 5 5 C C3' C 72.430 0.30 1 87 5 5 C C4' C 81.350 0.30 1 88 5 5 C C5 C 96.550 0.30 1 89 5 5 C C5' C 63.710 0.30 1 90 5 5 C C6 C 140.500 0.30 1 91 5 5 C N1 N 152.290 0.30 1 92 5 5 C N3 N 198.380 0.30 1 93 5 5 C N4 N 99.910 0.30 1 94 6 6 G H1' H 5.830 0.02 1 95 6 6 G H2' H 4.640 0.02 1 96 6 6 G H3' H 4.850 0.02 1 97 6 6 G H4' H 4.480 0.02 1 98 6 6 G H5' H 4.280 0.02 2 99 6 6 G H5'' H 4.140 0.02 2 100 6 6 G H8 H 7.940 0.02 1 101 6 6 G C1' C 88.400 0.30 1 102 6 6 G C2' C 73.770 0.30 1 103 6 6 G C3' C 74.330 0.30 1 104 6 6 G C4' C 83.120 0.30 1 105 6 6 G C5' C 65.210 0.30 1 106 6 6 G C8 C 138.100 0.30 1 107 6 6 G N9 N 169.170 0.30 1 108 7 7 C H1' H 5.560 0.02 1 109 7 7 C H2' H 4.670 0.02 1 110 7 7 C H3' H 4.550 0.02 1 111 7 7 C H4' H 4.510 0.02 1 112 7 7 C H5 H 5.530 0.02 1 113 7 7 C H5' H 4.350 0.02 2 114 7 7 C H5'' H 4.180 0.02 2 115 7 7 C H6 H 7.660 0.02 1 116 7 7 C H41 H 8.040 0.02 2 117 7 7 C H42 H 6.770 0.02 2 118 7 7 C C1' C 91.950 0.30 1 119 7 7 C C2' C 73.790 0.30 1 120 7 7 C C3' C 73.310 0.30 1 121 7 7 C C4' C 81.760 0.30 1 122 7 7 C C5 C 96.840 0.30 1 123 7 7 C C5' C 66.050 0.30 1 124 7 7 C C6 C 140.870 0.30 1 125 7 7 C N1 N 150.680 0.30 1 126 7 7 C N4 N 97.120 0.30 1 127 8 8 A H1' H 5.890 0.02 1 128 8 8 A H2 H 7.080 0.02 1 129 8 8 A H2' H 4.660 0.02 1 130 8 8 A H3' H 4.680 0.02 1 131 8 8 A H4' H 4.530 0.02 1 132 8 8 A H5' H 4.490 0.02 2 133 8 8 A H5'' H 4.250 0.02 2 134 8 8 A H8 H 8.090 0.02 1 135 8 8 A H61 H 7.270 0.02 2 136 8 8 A H62 H 6.920 0.02 2 137 8 8 A C1' C 91.440 0.30 1 138 8 8 A C2 C 150.920 0.30 1 139 8 8 A C2' C 73.760 0.30 1 140 8 8 A C3' C 71.590 0.30 1 141 8 8 A C4' C 80.960 0.30 1 142 8 8 A C5' C 64.550 0.30 1 143 8 8 A C8 C 138.650 0.30 1 144 8 8 A N1 N 221.440 0.30 1 145 8 8 A N6 N 83.050 0.30 1 146 8 8 A N9 N 171.130 0.30 1 147 9 9 G H1 H 13.220 0.02 1 148 9 9 G H1' H 5.630 0.02 1 149 9 9 G H2' H 4.160 0.02 1 150 9 9 G H3' H 4.520 0.02 1 151 9 9 G H4' H 4.380 0.02 1 152 9 9 G H5' H 4.550 0.02 2 153 9 9 G H5'' H 4.090 0.02 2 154 9 9 G H8 H 7.350 0.02 1 155 9 9 G C1' C 91.170 0.30 1 156 9 9 G C2' C 73.840 0.30 1 157 9 9 G C3' C 71.080 0.30 1 158 9 9 G C4' C 80.530 0.30 1 159 9 9 G C5' C 63.370 0.30 1 160 9 9 G C8 C 134.520 0.30 1 161 9 9 G N1 N 149.340 0.30 1 162 9 9 G N9 N 170.900 0.30 1 163 10 10 C H1' H 5.570 0.02 1 164 10 10 C H2' H 4.390 0.02 1 165 10 10 C H3' H 4.620 0.02 1 166 10 10 C H4' H 4.470 0.02 1 167 10 10 C H5 H 5.130 0.02 1 168 10 10 C H5' H 4.380 0.02 2 169 10 10 C H5'' H 4.040 0.02 2 170 10 10 C H6 H 7.350 0.02 1 171 10 10 C H41 H 8.050 0.02 2 172 10 10 C H42 H 6.730 0.02 2 173 10 10 C C1' C 89.940 0.30 1 174 10 10 C C2' C 73.890 0.30 1 175 10 10 C C3' C 76.380 0.30 1 176 10 10 C C4' C 82.740 0.30 1 177 10 10 C C5 C 96.530 0.30 1 178 10 10 C C5' C 65.150 0.30 1 179 10 10 C C6 C 139.920 0.30 1 180 10 10 C N1 N 149.110 0.30 1 181 10 10 C N3 N 195.900 0.30 1 182 10 10 C N4 N 100.380 0.30 1 183 11 11 A H1' H 6.140 0.02 1 184 11 11 A H2 H 7.970 0.02 1 185 11 11 A H2' H 4.750 0.02 1 186 11 11 A H3' H 4.630 0.02 1 187 11 11 A H4' H 4.540 0.02 1 188 11 11 A H5' H 4.320 0.02 2 189 11 11 A H5'' H 4.110 0.02 2 190 11 11 A H8 H 8.420 0.02 1 191 11 11 A C1' C 87.730 0.30 1 192 11 11 A C2 C 153.650 0.30 1 193 11 11 A C2' C 75.910 0.30 1 194 11 11 A C3' C 77.630 0.30 1 195 11 11 A C4' C 84.870 0.30 1 196 11 11 A C5' C 66.210 0.30 1 197 11 11 A C8 C 140.280 0.30 1 198 11 11 A N9 N 168.970 0.30 1 199 12 12 G H1' H 5.450 0.02 1 200 12 12 G H2' H 4.340 0.02 1 201 12 12 G H3' H 4.650 0.02 1 202 12 12 G H4' H 4.000 0.02 1 203 12 12 G H5' H 4.210 0.02 2 204 12 12 G H5'' H 4.000 0.02 2 205 12 12 G H8 H 7.940 0.02 1 206 12 12 G C1' C 87.190 0.30 1 207 12 12 G C2' C 76.240 0.30 1 208 12 12 G C3' C 77.650 0.30 1 209 12 12 G C4' C 84.370 0.30 1 210 12 12 G C5' C 66.540 0.30 1 211 12 12 G C8 C 138.240 0.30 1 212 12 12 G N9 N 170.030 0.30 1 213 13 13 G H1 H 12.750 0.02 1 214 13 13 G H1' H 5.870 0.02 1 215 13 13 G H2' H 5.050 0.02 1 216 13 13 G H3' H 5.020 0.02 1 217 13 13 G H4' H 4.410 0.02 1 218 13 13 G H5' H 4.190 0.02 2 219 13 13 G H5'' H 3.970 0.02 2 220 13 13 G H8 H 7.800 0.02 1 221 13 13 G C1' C 88.290 0.30 1 222 13 13 G C2' C 72.990 0.30 1 223 13 13 G C3' C 75.580 0.30 1 224 13 13 G C4' C 83.170 0.30 1 225 13 13 G C5' C 65.750 0.30 1 226 13 13 G C8 C 137.740 0.30 1 227 13 13 G N1 N 149.990 0.30 1 228 13 13 G N9 N 170.140 0.30 1 229 14 14 U H1' H 6.070 0.02 1 230 14 14 U H2' H 4.560 0.02 1 231 14 14 U H3' H 4.780 0.02 1 232 14 14 U H4' H 4.530 0.02 1 233 14 14 U H5 H 5.930 0.02 1 234 14 14 U H5' H 4.280 0.02 2 235 14 14 U H5'' H 4.240 0.02 2 236 14 14 U H6 H 7.890 0.02 1 237 14 14 U C1' C 89.450 0.30 1 238 14 14 U C2' C 73.780 0.30 1 239 14 14 U C3' C 75.300 0.30 1 240 14 14 U C4' C 84.240 0.30 1 241 14 14 U C5 C 103.860 0.30 1 242 14 14 U C5' C 66.720 0.30 1 243 14 14 U C6 C 142.960 0.30 1 244 14 14 U N1 N 145.800 0.30 1 245 15 15 C H1' H 5.360 0.02 1 246 15 15 C H2' H 4.480 0.02 1 247 15 15 C H3' H 4.400 0.02 1 248 15 15 C H4' H 4.520 0.02 1 249 15 15 C H5 H 5.420 0.02 1 250 15 15 C H5' H 4.460 0.02 2 251 15 15 C H5'' H 4.180 0.02 2 252 15 15 C H6 H 7.510 0.02 1 253 15 15 C H41 H 8.430 0.02 2 254 15 15 C H42 H 6.600 0.02 2 255 15 15 C C1' C 92.090 0.30 1 256 15 15 C C2' C 73.160 0.30 1 257 15 15 C C3' C 72.130 0.30 1 258 15 15 C C4' C 81.540 0.30 1 259 15 15 C C5 C 96.320 0.30 1 260 15 15 C C5' C 64.880 0.30 1 261 15 15 C C6 C 139.920 0.30 1 262 15 15 C N1 N 150.980 0.30 1 263 15 15 C N3 N 199.100 0.30 1 264 15 15 C N4 N 97.630 0.30 1 265 16 16 U H1' H 5.560 0.02 1 266 16 16 U H2' H 4.670 0.02 1 267 16 16 U H3 H 13.610 0.02 1 268 16 16 U H3' H 4.570 0.02 1 269 16 16 U H4' H 4.470 0.02 1 270 16 16 U H5 H 5.400 0.02 1 271 16 16 U H5' H 4.550 0.02 2 272 16 16 U H5'' H 4.200 0.02 2 273 16 16 U H6 H 7.920 0.02 1 274 16 16 U C1' C 92.000 0.30 1 275 16 16 U C2' C 73.730 0.30 1 276 16 16 U C3' C 70.880 0.30 1 277 16 16 U C4' C 80.600 0.30 1 278 16 16 U C5 C 101.830 0.30 1 279 16 16 U C5' C 63.330 0.30 1 280 16 16 U C6 C 140.440 0.30 1 281 16 16 U N1 N 147.750 0.30 1 282 16 16 U N3 N 163.350 0.30 1 283 17 17 G H1 H 12.130 0.02 1 284 17 17 G H1' H 5.710 0.02 1 285 17 17 G H2' H 4.490 0.02 1 286 17 17 G H3' H 4.500 0.02 1 287 17 17 G H4' H 4.480 0.02 1 288 17 17 G H5' H 4.460 0.02 2 289 17 17 G H5'' H 4.130 0.02 2 290 17 17 G H8 H 7.580 0.02 1 291 17 17 G C1' C 91.060 0.30 1 292 17 17 G C2' C 73.970 0.30 1 293 17 17 G C3' C 71.520 0.30 1 294 17 17 G C4' C 80.590 0.30 1 295 17 17 G C5' C 64.450 0.30 1 296 17 17 G C8 C 134.620 0.30 1 297 17 17 G N1 N 148.240 0.30 1 298 17 17 G N9 N 170.970 0.30 1 299 18 18 G H1 H 12.210 0.02 1 300 18 18 G H1' H 5.530 0.02 1 301 18 18 G H2' H 4.540 0.02 1 302 18 18 G H3' H 4.550 0.02 1 303 18 18 G H4' H 4.400 0.02 1 304 18 18 G H5' H 4.430 0.02 2 305 18 18 G H5'' H 4.080 0.02 2 306 18 18 G H8 H 7.310 0.02 1 307 18 18 G C1' C 90.950 0.30 1 308 18 18 G C2' C 73.440 0.30 1 309 18 18 G C3' C 71.310 0.30 1 310 18 18 G C4' C 80.730 0.30 1 311 18 18 G C5' C 63.460 0.30 1 312 18 18 G C8 C 135.000 0.30 1 313 18 18 G N1 N 148.020 0.30 1 314 18 18 G N2 N 76.080 0.30 1 315 18 18 G N9 N 170.480 0.30 1 316 19 19 A H1' H 5.920 0.02 1 317 19 19 A H2 H 7.540 0.02 1 318 19 19 A H2' H 4.690 0.02 1 319 19 19 A H3' H 4.660 0.02 1 320 19 19 A H4' H 4.460 0.02 1 321 19 19 A H5' H 4.560 0.02 2 322 19 19 A H5'' H 4.140 0.02 2 323 19 19 A H8 H 7.900 0.02 1 324 19 19 A H61 H 7.710 0.02 2 325 19 19 A H62 H 7.380 0.02 2 326 19 19 A C1' C 91.040 0.30 1 327 19 19 A C2 C 151.790 0.30 1 328 19 19 A C2' C 73.950 0.30 1 329 19 19 A C3' C 70.980 0.30 1 330 19 19 A C4' C 80.330 0.30 1 331 19 19 A C5' C 63.240 0.30 1 332 19 19 A C8 C 137.920 0.30 1 333 19 19 A N1 N 222.420 0.30 1 334 19 19 A N6 N 84.400 0.30 1 335 19 19 A N9 N 172.540 0.30 1 336 20 20 G H1 H 13.690 0.02 1 337 20 20 G H1' H 5.530 0.02 1 338 20 20 G H2' H 4.530 0.02 1 339 20 20 G H3' H 4.250 0.02 1 340 20 20 G H4' H 4.420 0.02 1 341 20 20 G H5' H 4.420 0.02 2 342 20 20 G H5'' H 4.010 0.02 2 343 20 20 G H8 H 7.050 0.02 1 344 20 20 G C1' C 91.290 0.30 1 345 20 20 G C2' C 73.510 0.30 1 346 20 20 G C3' C 71.170 0.30 1 347 20 20 G C4' C 80.440 0.30 1 348 20 20 G C5' C 63.900 0.30 1 349 20 20 G C8 C 133.880 0.30 1 350 20 20 G N1 N 150.170 0.30 1 351 20 20 G N2 N 76.140 0.30 1 352 20 20 G N9 N 171.000 0.30 1 353 21 21 U H1' H 5.490 0.02 1 354 21 21 U H2' H 4.050 0.02 1 355 21 21 U H3 H 12.310 0.02 1 356 21 21 U H3' H 4.480 0.02 1 357 21 21 U H4' H 4.350 0.02 1 358 21 21 U H5 H 5.310 0.02 1 359 21 21 U H5' H 4.480 0.02 2 360 21 21 U H5'' H 4.010 0.02 2 361 21 21 U H6 H 7.690 0.02 1 362 21 21 U C1' C 92.760 0.30 1 363 21 21 U C2' C 74.090 0.30 1 364 21 21 U C3' C 70.430 0.30 1 365 21 21 U C4' C 80.970 0.30 1 366 21 21 U C5 C 102.210 0.30 1 367 21 21 U C5' C 62.370 0.30 1 368 21 21 U C6 C 139.080 0.30 1 369 21 21 U N1 N 147.110 0.30 1 370 21 21 U N3 N 160.610 0.30 1 371 22 22 C H1' H 6.190 0.02 1 372 22 22 C H2' H 4.660 0.02 1 373 22 22 C H3' H 4.990 0.02 1 374 22 22 C H4' H 4.360 0.02 1 375 22 22 C H5 H 5.660 0.02 1 376 22 22 C H5' H 4.560 0.02 2 377 22 22 C H5'' H 4.080 0.02 2 378 22 22 C H6 H 7.540 0.02 1 379 22 22 C H41 H 8.620 0.02 2 380 22 22 C H42 H 7.020 0.02 2 381 22 22 C C1' C 89.930 0.30 1 382 22 22 C C2' C 83.290 0.30 1 383 22 22 C C3' C 76.270 0.30 1 384 22 22 C C4' C 83.650 0.30 1 385 22 22 C C5 C 97.340 0.30 1 386 22 22 C C5' C 64.050 0.30 1 387 22 22 C C6 C 141.530 0.30 1 388 22 22 C N1 N 152.370 0.30 1 389 22 22 C N3 N 198.010 0.30 1 390 22 22 C N4 N 100.360 0.30 1 stop_ save_