data_6320 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments for extended 3' internal stem-loop RNA from S. cerevisiae U6 snRNA ; _BMRB_accession_number 6320 _BMRB_flat_file_name bmr6320.str _Entry_type original _Submission_date 2004-09-21 _Accession_date 2004-09-23 _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 Sashital Dipali G. . 2 Cornilescu Gabriel . . 3 Butcher Samuel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 272 "13C chemical shifts" 189 "15N chemical shifts" 14 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-16 original author . stop_ _Original_release_date 2004-11-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; U2-U6 RNA folding reveals a group II intron-like domain and a four-helix junction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15543154 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sashital Dipali G. . 2 Cornilescu Gabriel . . 3 McManus C. J. . 4 Brow D. A. . 5 Butcher Samuel E. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 11 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1237 _Page_last 1242 _Year 2004 _Details . loop_ _Keyword 'Database Potentials' 'Residual dipolar coupling' RNA 'U2/U6 complex' 'U6 ISL' 'U6 snRNA' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system_U6_extended_ISL _Saveframe_category molecular_system _Mol_system_name 'U6 extended ISL' _Abbreviation_common 'U6 extended ISL' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'U6 extended ISL' $U6_extended_ISL 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_U6_extended_ISL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'U6 extended ISL' _Abbreviation_common 'U6 extended ISL' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; GAGCAGUUCCCCUGCAUAAG GAUGAACCGUUC ; loop_ _Residue_seq_code _Residue_label 1 G 2 A 3 G 4 C 5 A 6 G 7 U 8 U 9 C 10 C 11 C 12 C 13 U 14 G 15 C 16 A 17 U 18 A 19 A 20 G 21 G 22 A 23 U 24 G 25 A 26 A 27 C 28 C 29 G 30 U 31 U 32 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 $U6_extended_ISL 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $U6_extended_ISL 'enzymatic semisynthesis' . . . . . ; Integrated DNA Technologies (IDT)" "In vitro transcription using purified T7 RNA polymerase and DNA oligonucleotides from IDT for templates. ; 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 $U6_extended_ISL 1 mM 0.5 1.5 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name SPARKY _Version 3.105 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details Cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details Cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_3D_[1H-13C-1H]_NOESY_HMQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] NOESY HMQC' _Sample_label $sample_1 save_ save_3D_[1H-13C-1H]_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_[1H-13C-1H]_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-COSY' _Sample_label $sample_1 save_ save_J-Modulated_CT-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'J-Modulated CT-HSQC' _Sample_label $sample_1 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 '3D [1H-13C-1H] NOESY HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'J-Modulated CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.1 pH temperature 283 1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 pH temperature 303 1 K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.1 pH temperature 298 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'U6 extended ISL' _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 C1' C 90.36 1.000 1 2 . 1 G C2' C 72.67 1.000 1 3 . 1 G C3' C 73.27 1.000 1 4 . 1 G C4' C 81.99 1.000 1 5 . 1 G C5' C 64.30 1.000 1 6 . 1 G H1' H 5.737 0.020 1 7 . 1 G H2' H 4.872 0.024 1 8 . 1 G H3' H 4.826 0.016 1 9 . 1 G H4' H 4.571 0.019 1 10 . 1 G H5'' H 3.938 0.019 1 11 . 1 G H8 H 8.161 0.001 1 12 . 2 A C1' C 89.625 0.457 1 13 . 2 A C2 C 150.944 0.000 1 14 . 2 A C2' C 73.858 0.036 1 15 . 2 A C3' C 71.521 0.000 1 16 . 2 A C5' C 64.397 0.044 1 17 . 2 A C8 C 138.243 0.000 1 18 . 2 A H1' H 6.171 0.010 1 19 . 2 A H2 H 7.616 0.007 1 20 . 2 A H2' H 4.766 0.006 1 21 . 2 A H3' H 4.691 0.009 1 22 . 2 A H4' H 4.598 0.009 1 23 . 2 A H5' H 4.540 0.007 1 24 . 2 A H5'' H 4.400 0.005 1 25 . 2 A H8 H 8.184 0.003 1 26 . 3 G C1' C 90.966 0.509 1 27 . 3 G C2' C 73.338 0.302 1 28 . 3 G C3' C 71.344 0.000 1 29 . 3 G C4' C 80.439 0.000 1 30 . 3 G C5' C 64.230 0.019 1 31 . 3 G C8 C 134.150 0.000 1 32 . 3 G H1 H 11.741 0.041 1 33 . 3 G H1' H 5.608 0.021 1 34 . 3 G H2' H 4.545 0.043 1 35 . 3 G H22 H 6.453 0.004 1 36 . 3 G H3' H 4.161 0.017 1 37 . 3 G H4' H 4.506 0.007 1 38 . 3 G H5' H 4.374 0.029 1 39 . 3 G H5'' H 4.069 0.008 1 40 . 3 G H8 H 7.018 0.006 1 41 . 3 G N1 N 127.307 0.000 1 42 . 4 C C1' C 91.859 0.051 1 43 . 4 C C2' C 73.500 0.000 1 44 . 4 C C3' C 70.062 0.000 1 45 . 4 C C4' C 79.571 0.000 1 46 . 4 C C5' C 61.932 0.035 1 47 . 4 C C6 C 138.050 0.000 1 48 . 4 C H1' H 5.495 0.008 1 49 . 4 C H2' H 4.479 0.033 1 50 . 4 C H3' H 4.522 0.011 1 51 . 4 C H4' H 4.388 0.017 1 52 . 4 C H41 H 8.320 0.001 1 53 . 4 C H42 H 7.089 0.000 1 54 . 4 C H5 H 5.252 0.006 1 55 . 4 C H5' H 4.461 0.044 1 56 . 4 C H5'' H 4.114 0.029 1 57 . 4 C H6 H 7.501 0.035 1 58 . 4 C N3 N 178.853 0.000 1 59 . 5 A C1' C 89.939 0.560 1 60 . 5 A C2 C 150.828 0.000 1 61 . 5 A C2' C 73.959 0.000 1 62 . 5 A C3' C 71.302 0.000 1 63 . 5 A C4' C 80.336 0.000 1 64 . 5 A C5' C 63.834 0.038 1 65 . 5 A C8 C 138.590 0.000 1 66 . 5 A H1' H 6.009 0.018 1 67 . 5 A H2 H 7.573 0.048 1 68 . 5 A H2' H 4.718 0.013 1 69 . 5 A H3' H 4.580 0.014 1 70 . 5 A H4' H 4.496 0.046 1 71 . 5 A H5' H 4.399 0.049 1 72 . 5 A H5'' H 4.138 0.004 1 73 . 5 A H8 H 8.047 0.026 1 74 . 6 G C1' C 90.931 0.188 1 75 . 6 G C2' C 72.918 0.045 1 76 . 6 G C3' C 71.160 0.054 1 77 . 6 G C4' C 80.390 0.046 1 78 . 6 G C5' C 64.072 0.008 1 79 . 6 G C8 C 133.729 0.000 1 80 . 6 G H1 H 13.407 0.001 1 81 . 6 G H1' H 5.539 0.020 1 82 . 6 G H2' H 4.501 0.015 1 83 . 6 G H21 H 8.723 0.000 1 84 . 6 G H22 H 6.603 0.000 1 85 . 6 G H3' H 4.350 0.015 1 86 . 6 G H4' H 4.483 0.008 1 87 . 6 G H5' H 4.393 0.000 1 88 . 6 G H5'' H 4.062 0.015 1 89 . 6 G H8 H 6.996 0.037 1 90 . 6 G N1 N 130.811 0.000 1 91 . 7 U C1' C 91.662 0.083 1 92 . 7 U C2' C 73.301 0.031 1 93 . 7 U C3' C 70.152 0.000 1 94 . 7 U C4' C 80.075 0.000 1 95 . 7 U C5' C 62.237 0.033 1 96 . 7 U C6 C 141.275 0.000 1 97 . 7 U H1' H 5.572 0.010 1 98 . 7 U H2' H 4.514 0.020 1 99 . 7 U H3 H 14.393 0.011 1 100 . 7 U H3' H 4.489 0.002 1 101 . 7 U H4' H 4.454 0.008 1 102 . 7 U H5 H 4.997 0.019 1 103 . 7 U H5' H 4.566 0.003 1 104 . 7 U H5'' H 4.108 0.004 1 105 . 7 U H6 H 7.799 0.006 1 106 . 7 U N3 N 162.417 0.000 1 107 . 8 U C1' C 91.494 0.017 1 108 . 8 U C2' C 73.249 0.019 1 109 . 8 U C3' C 70.248 0.048 1 110 . 8 U C4' C 79.814 0.000 1 111 . 8 U C5' C 62.438 0.038 1 112 . 8 U C6 C 140.284 0.000 1 113 . 8 U H1' H 5.703 0.015 1 114 . 8 U H2' H 4.523 0.030 1 115 . 8 U H3 H 13.773 0.007 1 116 . 8 U H3' H 4.555 0.004 1 117 . 8 U H4' H 4.491 0.004 1 118 . 8 U H5 H 5.608 0.014 1 119 . 8 U H5' H 4.582 0.007 1 120 . 8 U H5'' H 4.145 0.002 1 121 . 8 U H6 H 8.044 0.011 1 122 . 8 U N3 N 162.371 0.000 1 123 . 9 C C1' C 91.363 0.189 1 124 . 9 C C2' C 73.487 0.186 1 125 . 9 C C3' C 70.418 0.000 1 126 . 9 C C4' C 80.049 0.000 1 127 . 9 C C5' C 62.679 0.052 1 128 . 9 C C6 C 139.369 0.000 1 129 . 9 C H1' H 5.613 0.010 1 130 . 9 C H2' H 4.279 0.010 1 131 . 9 C H3' H 4.472 0.014 1 132 . 9 C H4' H 4.462 0.004 1 133 . 9 C H41 H 8.428 0.002 1 134 . 9 C H42 H 7.146 0.003 1 135 . 9 C H5 H 5.717 0.008 1 136 . 9 C H5' H 4.568 0.015 1 137 . 9 C H5'' H 4.156 0.008 1 138 . 9 C H6 H 7.881 0.014 1 139 . 9 C N3 N 179.826 0.000 1 140 . 10 C C1' C 91.844 0.024 1 141 . 10 C C2' C 73.938 0.053 1 142 . 10 C C3' C 70.169 0.000 1 143 . 10 C C4' C 80.059 0.000 1 144 . 10 C C5' C 62.386 0.093 1 145 . 10 C C6 C 138.641 0.000 1 146 . 10 C H1' H 5.695 0.011 1 147 . 10 C H2' H 4.149 0.008 1 148 . 10 C H3' H 4.614 0.009 1 149 . 10 C H4' H 4.375 0.008 1 150 . 10 C H5 H 5.664 0.005 1 151 . 10 C H5' H 4.507 0.000 1 152 . 10 C H5'' H 4.122 0.004 1 153 . 10 C H6 H 7.781 0.004 1 154 . 11 C C1' C 91.951 0.146 1 155 . 11 C C2' C 73.016 0.016 1 156 . 11 C C3' C 70.074 0.088 1 157 . 11 C C4' C 80.100 0.000 1 158 . 11 C C5 C 95.450 0.000 1 159 . 11 C C5' C 62.162 0.009 1 160 . 11 C C6 C 139.990 0.000 1 161 . 11 C H1' H 5.420 0.008 1 162 . 11 C H2' H 4.403 0.011 1 163 . 11 C H3' H 4.530 0.007 1 164 . 11 C H4' H 4.426 0.009 1 165 . 11 C H41 H 8.469 0.000 1 166 . 11 C H5 H 5.730 0.008 1 167 . 11 C H5' H 4.466 0.035 1 168 . 11 C H5'' H 4.106 0.009 1 169 . 11 C H6 H 7.914 0.002 1 170 . 11 C N3 N 181.162 0.000 1 171 . 12 C C1' C 91.978 0.099 1 172 . 12 C C2' C 73.398 0.081 1 173 . 12 C C3' C 69.959 0.016 1 174 . 12 C C4' C 79.914 0.034 1 175 . 12 C C5' C 62.088 0.005 1 176 . 12 C C6 C 139.766 0.000 1 177 . 12 C H1' H 5.396 0.007 1 178 . 12 C H2' H 4.300 0.007 1 179 . 12 C H3' H 4.493 0.009 1 180 . 12 C H4' H 4.373 0.007 1 181 . 12 C H41 H 8.454 0.005 1 182 . 12 C H42 H 6.975 0.004 1 183 . 12 C H5 H 5.544 0.004 1 184 . 12 C H5' H 4.561 0.007 1 185 . 12 C H5'' H 4.081 0.009 1 186 . 12 C H6 H 7.779 0.004 1 187 . 12 C N1 N 178.834 0.000 1 188 . 13 U C1' C 91.331 0.000 1 189 . 13 U C2' C 73.614 0.025 1 190 . 13 U C3' C 70.141 0.000 1 191 . 13 U C4' C 79.905 0.001 1 192 . 13 U C5' C 62.279 0.012 1 193 . 13 U C6 C 138.717 0.000 1 194 . 13 U H1' H 5.591 0.019 1 195 . 13 U H2' H 4.492 0.011 1 196 . 13 U H3 H 13.652 0.003 1 197 . 13 U H3' H 4.469 0.008 1 198 . 13 U H4' H 4.374 0.003 1 199 . 13 U H5 H 5.314 0.003 1 200 . 13 U H5' H 4.505 0.010 1 201 . 13 U H5'' H 4.100 0.004 1 202 . 13 U H6 H 7.626 0.008 1 203 . 14 G C1' C 90.569 0.000 1 204 . 14 G C2' C 73.177 0.059 1 205 . 14 G C3' C 71.385 0.007 1 206 . 14 G C4' C 80.794 0.033 1 207 . 14 G C5' C 63.552 0.044 1 208 . 14 G C8 C 135.063 0.000 1 209 . 14 G H1' H 5.571 0.005 1 210 . 14 G H2' H 4.437 0.007 1 211 . 14 G H3' H 4.561 0.013 1 212 . 14 G H4' H 4.431 0.006 1 213 . 14 G H5' H 4.367 0.008 1 214 . 14 G H5'' H 4.095 0.019 1 215 . 14 G H8 H 7.686 0.008 1 216 . 15 C C1' C 90.168 0.154 1 217 . 15 C C2' C 73.527 0.000 1 218 . 15 C C3' C 72.452 0.000 1 219 . 15 C C4' C 81.058 0.069 1 220 . 15 C C5 C 95.750 0.000 1 221 . 15 C C5' C 63.318 0.004 1 222 . 15 C C6 C 140.230 0.000 1 223 . 15 C H1' H 5.288 0.006 1 224 . 15 C H2' H 3.913 0.010 1 225 . 15 C H3' H 4.219 0.010 1 226 . 15 C H4' H 3.882 0.008 1 227 . 15 C H5 H 5.511 0.006 1 228 . 15 C H5' H 4.092 0.001 1 229 . 15 C H5'' H 3.887 0.018 1 230 . 15 C H6 H 7.479 0.003 1 231 . 16 A C1' C 87.620 0.071 1 232 . 16 A C2 C 152.853 0.000 1 233 . 16 A C2' C 75.073 0.035 1 234 . 16 A C3' C 73.984 0.029 1 235 . 16 A C4' C 83.262 0.095 1 236 . 16 A C5' C 64.881 0.016 1 237 . 16 A C8 C 139.742 0.000 1 238 . 16 A H1' H 5.964 0.011 1 239 . 16 A H2 H 8.034 0.012 1 240 . 16 A H2' H 4.728 0.009 1 241 . 16 A H3' H 4.728 0.003 1 242 . 16 A H4' H 4.414 0.007 1 243 . 16 A H5' H 4.103 0.001 1 244 . 16 A H5'' H 3.965 0.001 1 245 . 16 A H8 H 8.226 0.003 1 246 . 17 U C1' C 88.733 0.007 1 247 . 17 U C2' C 73.497 0.007 1 248 . 17 U C3' C 74.218 0.019 1 249 . 17 U C4' C 82.448 0.000 1 250 . 17 U C5' C 65.305 0.040 1 251 . 17 U C6 C 141.562 0.000 1 252 . 17 U H1' H 5.913 0.011 1 253 . 17 U H2' H 4.441 0.005 1 254 . 17 U H3' H 4.707 0.005 1 255 . 17 U H4' H 4.462 0.005 1 256 . 17 U H5 H 5.860 0.003 1 257 . 17 U H5' H 4.202 0.010 1 258 . 17 U H5'' H 4.215 0.000 1 259 . 17 U H6 H 7.801 0.002 1 260 . 18 A C1' C 89.205 0.080 1 261 . 18 A C2 C 153.090 0.000 1 262 . 18 A C2' C 73.807 0.027 1 263 . 18 A C4' C 81.499 0.095 1 264 . 18 A C5' C 65.637 0.037 1 265 . 18 A C8 C 139.005 0.000 1 266 . 18 A H1' H 5.947 0.009 1 267 . 18 A H2 H 8.121 0.004 1 268 . 18 A H2' H 4.868 0.005 1 269 . 18 A H4' H 4.646 0.000 1 270 . 18 A H5' H 4.373 0.000 1 271 . 18 A H5'' H 4.245 0.000 1 272 . 18 A H8 H 8.024 0.031 1 273 . 19 A C1' C 90.304 0.138 1 274 . 19 A C2 C 150.960 0.000 1 275 . 19 A C2' C 73.294 0.012 1 276 . 19 A C3' C 71.952 0.028 1 277 . 19 A C4' C 80.391 0.000 1 278 . 19 A C5' C 65.168 0.001 1 279 . 19 A C8 C 138.051 0.000 1 280 . 19 A H1' H 5.391 0.018 1 281 . 19 A H2 H 7.614 0.022 1 282 . 19 A H2' H 4.670 0.002 1 283 . 19 A H3' H 4.480 0.002 1 284 . 19 A H4' H 4.478 0.003 1 285 . 19 A H5' H 4.381 0.001 1 286 . 19 A H5'' H 4.298 0.004 1 287 . 19 A H61 H 7.602 0.000 1 288 . 19 A H62 H 6.666 0.000 1 289 . 19 A H8 H 8.031 0.011 1 290 . 20 G C1' C 88.129 0.000 1 291 . 20 G C4' C 80.709 0.001 1 292 . 20 G C5' C 65.439 0.120 1 293 . 20 G C8 C 133.757 0.000 1 294 . 20 G H1 H 12.779 0.039 1 295 . 20 G H1' H 5.596 0.021 1 296 . 20 G H2' H 4.505 0.000 1 297 . 20 G H21 H 8.456 0.000 1 298 . 20 G H22 H 6.154 0.000 1 299 . 20 G H4' H 4.446 0.008 1 300 . 20 G H5' H 4.210 0.000 1 301 . 20 G H5'' H 4.050 0.004 1 302 . 20 G H8 H 7.094 0.005 1 303 . 20 G N1 N 129.391 0.000 1 304 . 21 G C1' C 90.606 0.103 1 305 . 21 G C2' C 73.591 0.000 1 306 . 21 G C3' C 70.735 0.000 1 307 . 21 G C4' C 79.983 0.000 1 308 . 21 G C5' C 62.834 0.007 1 309 . 21 G C8 C 134.158 0.000 1 310 . 21 G H1 H 12.742 0.044 1 311 . 21 G H1' H 5.730 0.011 1 312 . 21 G H2' H 4.471 0.010 1 313 . 21 G H21 H 7.688 0.000 1 314 . 21 G H22 H 6.035 0.000 1 315 . 21 G H3' H 4.519 0.008 1 316 . 21 G H4' H 4.424 0.009 1 317 . 21 G H5' H 4.501 0.013 1 318 . 21 G H5'' H 4.062 0.010 1 319 . 21 G H8 H 7.215 0.011 1 320 . 21 G N1 N 130.228 0.000 1 321 . 22 A C1' C 89.623 0.677 1 322 . 22 A C2 C 151.510 0.000 1 323 . 22 A C2' C 73.537 0.031 1 324 . 22 A C3' C 71.716 0.000 1 325 . 22 A C4' C 80.670 0.000 1 326 . 22 A C5' C 64.169 0.015 1 327 . 22 A C8 C 138.477 0.000 1 328 . 22 A H1' H 5.919 0.010 1 329 . 22 A H2 H 7.778 0.018 1 330 . 22 A H2' H 4.459 0.010 1 331 . 22 A H3' H 4.330 0.002 1 332 . 22 A H4' H 4.470 0.000 1 333 . 22 A H5' H 4.392 0.006 1 334 . 22 A H5'' H 4.047 0.003 1 335 . 22 A H8 H 7.696 0.005 1 336 . 23 U C1' C 90.522 0.000 1 337 . 23 U C2' C 73.335 0.000 1 338 . 23 U C3' C 71.531 0.000 1 339 . 23 U C4' C 80.611 0.000 1 340 . 23 U C5' C 63.437 0.009 1 341 . 23 U H1' H 5.275 0.009 1 342 . 23 U H2' H 4.079 0.003 1 343 . 23 U H3' H 4.354 0.004 1 344 . 23 U H4' H 4.313 0.005 1 345 . 23 U H5 H 5.168 0.002 1 346 . 23 U H5' H 4.326 0.006 1 347 . 23 U H5'' H 4.017 0.002 1 348 . 23 U H6 H 7.259 0.003 1 349 . 24 G C1' C 88.324 0.039 1 350 . 24 G C2' C 72.879 0.003 1 351 . 24 G C3' C 73.231 0.000 1 352 . 24 G C4' C 81.199 0.000 1 353 . 24 G C5' C 64.136 0.008 1 354 . 24 G C8 C 134.786 0.000 1 355 . 24 G H1 H 12.519 0.026 1 356 . 24 G H1' H 5.750 0.012 1 357 . 24 G H2' H 4.744 0.027 1 358 . 24 G H21 H 8.035 0.000 1 359 . 24 G H3' H 4.626 0.005 1 360 . 24 G H4' H 4.489 0.008 1 361 . 24 G H5' H 4.342 0.000 1 362 . 24 G H5'' H 4.117 0.014 1 363 . 24 G H8 H 7.689 0.008 1 364 . 24 G N1 N 129.679 0.000 1 365 . 25 A C1' C 90.543 0.076 1 366 . 25 A C2 C 150.668 0.000 1 367 . 25 A C2' C 73.433 0.014 1 368 . 25 A C3' C 73.947 0.000 1 369 . 25 A C4' C 80.873 0.000 1 370 . 25 A C5' C 64.875 0.063 1 371 . 25 A C8 C 137.878 0.000 1 372 . 25 A H1' H 5.945 0.014 1 373 . 25 A H2 H 7.205 0.006 1 374 . 25 A H2' H 4.660 0.009 1 375 . 25 A H3' H 4.605 0.001 1 376 . 25 A H4' H 4.597 0.004 1 377 . 25 A H5' H 4.486 0.000 1 378 . 25 A H5'' H 4.345 0.001 1 379 . 25 A H61 H 8.030 0.000 1 380 . 25 A H62 H 6.620 0.001 1 381 . 25 A H8 H 7.896 0.011 1 382 . 26 A N1 N 220.979 0.000 1 383 . 26 A C1' C 90.114 0.024 1 384 . 26 A C2 C 151.497 0.000 1 385 . 26 A C2' C 73.429 0.034 1 386 . 26 A C3' C 70.929 0.424 1 387 . 26 A C4' C 79.668 0.076 1 388 . 26 A C5' C 62.746 0.006 1 389 . 26 A C8 C 136.772 0.000 1 390 . 26 A H1' H 5.943 0.013 1 391 . 26 A H2 H 7.787 0.015 1 392 . 26 A H2' H 4.536 0.007 1 393 . 26 A H3' H 4.604 0.006 1 394 . 26 A H4' H 4.523 0.008 1 395 . 26 A H5' H 4.604 0.000 1 396 . 26 A H5'' H 4.156 0.000 1 397 . 26 A H61 H 8.254 0.000 1 398 . 26 A H62 H 6.719 0.000 1 399 . 26 A H8 H 7.836 0.006 1 400 . 27 C C1' C 91.638 0.113 1 401 . 27 C C2' C 73.483 0.014 1 402 . 27 C C3' C 70.280 0.042 1 403 . 27 C C4' C 79.739 0.070 1 404 . 27 C C5 C 95.238 0.000 1 405 . 27 C C5' C 62.478 0.020 1 406 . 27 C C6 C 138.062 0.000 1 407 . 27 C H1' H 5.352 0.008 1 408 . 27 C H2' H 4.304 0.019 1 409 . 27 C H3' H 4.289 0.011 1 410 . 27 C H4' H 4.388 0.009 1 411 . 27 C H41 H 8.306 0.000 1 412 . 27 C H42 H 7.154 0.000 1 413 . 27 C H5 H 5.186 0.017 1 414 . 27 C H5' H 4.501 0.008 1 415 . 27 C H5'' H 4.045 0.010 1 416 . 27 C H6 H 7.305 0.006 1 417 . 27 C N3 N 180.162 0.000 1 418 . 28 C C1' C 90.341 0.000 1 419 . 28 C C6 C 139.171 0.000 1 420 . 28 C H1' H 5.686 0.012 1 421 . 28 C H5 H 5.519 0.006 1 422 . 28 C H6 H 7.762 0.006 1 423 . 29 G C1' C 91.022 0.000 1 424 . 29 G C8 C 134.738 0.000 1 425 . 29 G H1 H 12.892 0.017 1 426 . 29 G H1' H 5.717 0.000 1 427 . 29 G H2' H 4.627 0.000 1 428 . 29 G H21 H 8.150 0.000 1 429 . 29 G H22 H 6.326 0.000 1 430 . 29 G H8 H 7.524 0.026 1 431 . 29 G N1 N 129.264 0.000 1 432 . 30 U C1' C 91.591 0.185 1 433 . 30 U C2' C 73.539 0.135 1 434 . 30 U C3' C 70.089 0.000 1 435 . 30 U C4' C 80.332 0.000 1 436 . 30 U C5' C 61.886 0.049 1 437 . 30 U C6 C 139.875 0.000 1 438 . 30 U H1' H 5.495 0.013 1 439 . 30 U H2' H 4.137 0.007 1 440 . 30 U H3 H 11.958 0.004 1 441 . 30 U H3' H 4.553 0.004 1 442 . 30 U H4' H 4.393 0.012 1 443 . 30 U H5 H 5.403 0.002 1 444 . 30 U H5' H 4.496 0.000 1 445 . 30 U H5'' H 4.075 0.016 1 446 . 30 U H6 H 7.704 0.008 1 447 . 31 U C1' C 90.992 0.456 1 448 . 31 U C2' C 73.674 0.000 1 449 . 31 U C3' C 71.440 0.000 1 450 . 31 U C4' C 80.964 0.000 1 451 . 31 U C5' C 62.936 0.053 1 452 . 31 U C6 C 141.087 0.000 1 453 . 31 U H1' H 5.644 0.006 1 454 . 31 U H2' H 4.244 0.000 1 455 . 31 U H3 H 14.492 0.004 1 456 . 31 U H3' H 4.498 0.000 1 457 . 31 U H4' H 4.379 0.000 1 458 . 31 U H5 H 5.654 0.004 1 459 . 31 U H5' H 4.423 0.000 1 460 . 31 U H5'' H 4.064 0.000 1 461 . 31 U H6 H 8.081 0.004 1 462 . 32 C C1' C 90.379 0.061 1 463 . 32 C C2' C 75.345 0.007 1 464 . 32 C C3' C 67.975 0.039 1 465 . 32 C C4' C 81.416 0.065 1 466 . 32 C C5' C 63.078 0.031 1 467 . 32 C C6 C 140.329 0.000 1 468 . 32 C H1' H 5.906 0.017 1 469 . 32 C H2' H 4.012 0.007 1 470 . 32 C H3' H 4.242 0.011 1 471 . 32 C H4' H 4.185 0.009 1 472 . 32 C H5 H 5.765 0.005 1 473 . 32 C H5' H 4.470 0.019 1 474 . 32 C H5'' H 4.052 0.008 1 475 . 32 C H6 H 7.756 0.003 1 stop_ save_