data_15080 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; U2 snRNA stem I from S. cerevisiae ; _BMRB_accession_number 15080 _BMRB_flat_file_name bmr15080.str _Entry_type original _Submission_date 2006-12-15 _Accession_date 2006-12-15 _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 Venditti Vincenzo . . 3 Angers Cortney G. . 4 Cornilescu Gabriel . . 5 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" 177 "13C chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-02-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15081 'Chemical shifts of human U2 Stem I' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and thermodynamics of a conserved U2 snRNA domain from yeast and human ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17242306 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sashital Dipali G. . 2 Venditti Vincenzo . . 3 Angers Cortney G. . 4 Cornilescu Gabriel . . 5 Butcher Samuel E. . stop_ _Journal_abbreviation RNA _Journal_name_full RNA _Journal_volume 13 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 328 _Page_last 338 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Yeast U2 stem I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Yeast U2 stem I' $Yeast_U2_Stem_I stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function splicing stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Yeast_U2_Stem_I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Yeast_U2_Stem_I _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function splicing stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence GGUUUGCCUUUUGGCUUACC loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 U 4 U 5 U 6 G 7 C 8 C 9 U 10 U 11 U 12 U 13 G 14 G 15 C 16 U 17 U 18 A 19 C 20 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 $Yeast_U2_Stem_I 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 $Yeast_U2_Stem_I 'enzymatic semisynthesis' . . . . . 'In vitro transcription using T7 polymerase' 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 $Yeast_U2_Stem_I 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Yeast_U2_Stem_I 0.5 mM 'natural abundance' D2O 99.99 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Yeast_U2_Stem_I 0.4 mM '[U-100% 13C; U-100% 15N]' D2O 99.99 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Yeast_U2_Stem_I 0.4 mM '[U-100% 13C; U-100% 15N]' D2O 99.99 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' 'Pf1 phage' 17 w/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO' _Sample_label $sample_3 save_ save_2D_J-modulated_CT_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D J-modulated CT HSQC' _Sample_label $sample_3 save_ save_2D_hd-ECOSY-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hd-ECOSY-TROSY' _Sample_label $sample_3 save_ save_2D_J-modulated_CT_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D J-modulated CT HSQC' _Sample_label $sample_4 save_ save_2D_hd-ECOSY-TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hd-ECOSY-TROSY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 283 . K pH 7 . pH pressure 1 . bar 'ionic strength' 50 . mM stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pH 7.0 . pH 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 internal indirect . . . 1 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 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-1H NOESY' '2D 1H-1H COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Yeast U2 stem I' _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 C1' C 91.505 0.573 1 2 1 1 G C2' C 75.323 0.082 1 3 1 1 G C3' C 75.482 0.720 1 4 1 1 G C4' C 83.805 0.096 1 5 1 1 G C8 C 139.230 0.000 1 6 1 1 G H1 H 12.956 0.000 1 7 1 1 G H1' H 5.806 0.009 1 8 1 1 G H2' H 4.895 0.018 1 9 1 1 G H3' H 4.733 0.010 1 10 1 1 G H4' H 4.509 0.005 1 11 1 1 G H5' H 4.278 0.002 1 12 1 1 G H5'' H 4.120 0.000 1 13 1 1 G H8 H 8.165 0.004 1 14 2 2 G C1' C 92.991 0.079 1 15 2 2 G C2' C 75.919 0.100 1 16 2 2 G C3' C 73.157 0.285 1 17 2 2 G C4' C 82.572 0.089 1 18 2 2 G C8 C 137.190 0.000 1 19 2 2 G H1 H 13.522 0.002 1 20 2 2 G H1' H 5.944 0.003 1 21 2 2 G H2' H 4.577 0.010 1 22 2 2 G H21 H 8.795 0.000 1 23 2 2 G H22 H 6.243 0.000 1 24 2 2 G H3' H 4.531 0.015 1 25 2 2 G H4' H 4.532 0.020 1 26 2 2 G H5'' H 4.216 0.002 1 27 2 2 G H8 H 7.630 0.012 1 28 3 3 U C1' C 94.114 0.000 1 29 3 3 U C2' C 75.860 0.061 1 30 3 3 U C3' C 72.867 0.184 1 31 3 3 U C4' C 82.440 0.084 1 32 3 3 U C5 C 103.945 0.000 1 33 3 3 U C5' C 65.593 0.036 1 34 3 3 U C6 C 141.083 0.000 1 35 3 3 U H1' H 5.582 0.009 1 36 3 3 U H2' H 4.553 0.006 1 37 3 3 U H3 H 14.684 0.017 1 38 3 3 U H3' H 4.261 0.011 1 39 3 3 U H4' H 4.477 0.005 1 40 3 3 U H5 H 5.252 0.014 1 41 3 3 U H5' H 4.459 0.003 1 42 3 3 U H5'' H 4.069 0.007 1 43 3 3 U H6 H 7.507 0.014 1 44 4 4 U C1' C 94.817 0.072 1 45 4 4 U C2 C 149.808 0.000 1 46 4 4 U C2' C 75.761 0.087 1 47 4 4 U C3' C 72.385 0.205 1 48 4 4 U C4 C 165.818 0.000 1 49 4 4 U C4' C 82.978 0.063 1 50 4 4 U C5 C 105.270 0.000 1 51 4 4 U C5' C 64.848 0.027 1 52 4 4 U C6 C 141.253 0.000 1 53 4 4 U H1' H 5.213 0.007 1 54 4 4 U H2' H 4.023 0.009 1 55 4 4 U H3 H 10.343 0.047 1 56 4 4 U H3' H 4.430 0.004 1 57 4 4 U H4' H 4.432 0.003 1 58 4 4 U H5 H 5.715 0.023 1 59 4 4 U H5' H 4.428 0.006 1 60 4 4 U H5'' H 4.066 0.004 1 61 4 4 U H6 H 7.767 0.017 1 62 5 5 U C1' C 94.083 0.092 1 63 5 5 U C2 C 151.806 0.000 1 64 5 5 U C2' C 75.477 0.108 1 65 5 5 U C3' C 72.378 0.240 1 66 5 5 U C4 C 164.801 0.000 1 67 5 5 U C4' C 82.670 0.060 1 68 5 5 U C5 C 104.201 0.000 1 69 5 5 U C5' C 64.775 0.041 1 70 5 5 U C6 C 142.693 0.000 1 71 5 5 U H1' H 5.283 0.008 1 72 5 5 U H2' H 4.348 0.005 1 73 5 5 U H3 H 11.262 0.038 1 74 5 5 U H3' H 4.513 0.006 1 75 5 5 U H4' H 4.297 0.005 1 76 5 5 U H5 H 5.593 0.008 1 77 5 5 U H5' H 4.527 0.005 1 78 5 5 U H5'' H 4.065 0.003 1 79 5 5 U H6 H 7.785 0.023 1 80 6 6 G C1' C 91.269 0.136 1 81 6 6 G C2' C 75.779 0.160 1 82 6 6 G C3' C 74.446 0.175 1 83 6 6 G C4' C 82.726 0.057 1 84 6 6 G C8 C 136.902 0.000 1 85 6 6 G H1 H 13.340 0.015 1 86 6 6 G H1' H 5.702 0.003 1 87 6 6 G H2' H 4.540 0.005 1 88 6 6 G H21 H 9.188 0.014 1 89 6 6 G H22 H 6.483 0.002 1 90 6 6 G H3' H 4.570 0.005 1 91 6 6 G H4' H 4.436 0.009 1 92 6 6 G H8 H 7.771 0.017 1 93 7 7 C C1' C 94.272 0.113 1 94 7 7 C C2' C 75.669 0.050 1 95 7 7 C C3' C 73.097 0.274 1 96 7 7 C C4' C 82.580 0.121 1 97 7 7 C C5 C 97.822 0.000 1 98 7 7 C C6 C 141.810 0.000 1 99 7 7 C H1' H 5.567 0.011 1 100 7 7 C H2' H 4.480 0.004 1 101 7 7 C H3' H 4.300 0.004 1 102 7 7 C H4' H 4.428 0.007 1 103 7 7 C H41 H 8.790 0.017 1 104 7 7 C H42 H 6.957 0.003 1 105 7 7 C H5 H 5.254 0.013 1 106 7 7 C H5'' H 4.129 0.001 1 107 7 7 C H6 H 7.549 0.015 1 108 8 8 C C1' C 94.672 0.068 1 109 8 8 C C2' C 75.869 0.062 1 110 8 8 C C3' C 72.739 0.101 1 111 8 8 C C4' C 82.352 0.099 1 112 8 8 C C5 C 98.467 0.000 1 113 8 8 C C6 C 141.380 0.000 1 114 8 8 C H1' H 5.570 0.009 1 115 8 8 C H2' H 4.558 0.003 1 116 8 8 C H3' H 4.253 0.007 1 117 8 8 C H4' H 4.385 0.006 1 118 8 8 C H41 H 8.419 0.021 1 119 8 8 C H42 H 6.961 0.025 1 120 8 8 C H5 H 5.483 0.022 1 121 8 8 C H5' H 4.442 0.003 1 122 8 8 C H5'' H 4.040 0.002 1 123 8 8 C H6 H 7.619 0.016 1 124 9 9 U C1' C 94.059 0.157 1 125 9 9 U C2' C 76.037 0.114 1 126 9 9 U C3' C 73.857 0.212 1 127 9 9 U C4' C 83.534 0.137 1 128 9 9 U C5 C 105.181 0.000 1 129 9 9 U C5' C 65.901 0.071 1 130 9 9 U C6 C 141.706 0.000 1 131 9 9 U H1' H 5.551 0.005 1 132 9 9 U H2' H 4.076 0.013 1 133 9 9 U H3' H 4.370 0.005 1 134 9 9 U H4' H 4.339 0.008 1 135 9 9 U H5 H 5.648 0.002 1 136 9 9 U H5' H 4.311 0.005 1 137 9 9 U H5'' H 4.012 0.004 1 138 9 9 U H6 H 7.731 0.020 1 139 10 10 U C1' C 90.706 0.292 1 140 10 10 U C2' C 75.769 0.115 1 141 10 10 U C3' C 78.578 0.109 1 142 10 10 U C4' C 85.504 0.111 1 143 10 10 U C5 C 105.715 0.000 1 144 10 10 U C5' C 67.997 0.184 1 145 10 10 U C6 C 143.756 0.000 1 146 10 10 U H1' H 5.763 0.004 1 147 10 10 U H2' H 4.244 0.005 1 148 10 10 U H3' H 4.455 0.003 1 149 10 10 U H4' H 4.415 0.004 1 150 10 10 U H5 H 5.697 0.005 1 151 10 10 U H5' H 4.083 0.007 1 152 10 10 U H5'' H 3.927 0.008 1 153 10 10 U H6 H 7.731 0.018 1 154 11 11 U C1' C 90.146 0.833 1 155 11 11 U C2' C 75.982 0.140 1 156 11 11 U C3' C 77.768 0.057 1 157 11 11 U C4' C 84.873 0.039 1 158 11 11 U C5 C 105.927 0.000 1 159 11 11 U C5' C 68.835 0.056 1 160 11 11 U C6 C 143.995 0.000 1 161 11 11 U H1' H 5.756 0.006 1 162 11 11 U H2' H 4.293 0.006 1 163 11 11 U H3' H 4.563 0.004 1 164 11 11 U H4' H 4.296 0.007 1 165 11 11 U H5 H 5.721 0.002 1 166 11 11 U H5' H 4.002 0.001 1 167 11 11 U H5'' H 3.944 0.004 1 168 11 11 U H6 H 7.585 0.017 1 169 12 12 U C1' C 90.559 0.049 1 170 12 12 U C2' C 74.937 0.144 1 171 12 12 U C3' C 76.920 0.089 1 172 12 12 U C4' C 85.359 0.122 1 173 12 12 U C5 C 105.177 0.527 1 174 12 12 U C5' C 68.982 0.071 1 175 12 12 U C6 C 144.324 0.000 1 176 12 12 U H1' H 5.878 0.003 1 177 12 12 U H2' H 4.517 0.006 1 178 12 12 U H3' H 4.637 0.004 1 179 12 12 U H4' H 4.500 0.007 1 180 12 12 U H5 H 5.873 0.008 1 181 12 12 U H5' H 4.145 0.005 1 182 12 12 U H5'' H 4.076 0.005 1 183 12 12 U H6 H 7.874 0.018 1 184 13 13 G C1' C 92.529 0.057 1 185 13 13 G C2' C 75.481 0.139 1 186 13 13 G C3' C 74.926 0.181 1 187 13 13 G C4' C 83.483 0.099 1 188 13 13 G C8 C 137.748 0.000 1 189 13 13 G H1 H 12.810 0.001 1 190 13 13 G H1' H 5.715 0.004 1 191 13 13 G H2' H 4.698 0.004 1 192 13 13 G H21 H 8.596 0.000 1 193 13 13 G H22 H 6.285 0.000 1 194 13 13 G H3' H 4.478 0.009 1 195 13 13 G H4' H 4.585 0.005 1 196 13 13 G H5' H 4.332 0.003 1 197 13 13 G H5'' H 4.148 0.003 1 198 13 13 G H8 H 7.873 0.016 1 199 14 14 G C1' C 93.021 0.134 1 200 14 14 G C2' C 75.823 0.084 1 201 14 14 G C3' C 73.211 0.251 1 202 14 14 G C4' C 82.435 0.178 1 203 14 14 G C8 C 136.735 0.000 1 204 14 14 G H1 H 13.250 0.011 1 205 14 14 G H1' H 5.855 0.002 1 206 14 14 G H2' H 4.543 0.016 1 207 14 14 G H3' H 4.485 0.006 1 208 14 14 G H4' H 4.484 0.004 1 209 14 14 G H5' H 4.441 0.002 1 210 14 14 G H5'' H 4.155 0.002 1 211 14 14 G H8 H 7.464 0.011 1 212 15 15 C C1' C 94.208 0.093 1 213 15 15 C C2' C 75.855 0.052 1 214 15 15 C C3' C 72.569 0.225 1 215 15 15 C C4' C 82.209 0.082 1 216 15 15 C C5 C 98.000 0.000 1 217 15 15 C C6 C 140.723 0.000 1 218 15 15 C H1' H 5.532 0.010 1 219 15 15 C H2' H 4.539 0.005 1 220 15 15 C H3' H 4.191 0.006 1 221 15 15 C H4' H 4.438 0.005 1 222 15 15 C H41 H 8.362 0.021 1 223 15 15 C H42 H 6.989 0.020 1 224 15 15 C H5 H 5.301 0.021 1 225 15 15 C H5'' H 4.047 0.002 1 226 15 15 C H6 H 7.432 0.009 1 227 16 16 U C1' C 94.532 0.105 1 228 16 16 U C2 C 149.898 0.000 1 229 16 16 U C2' C 75.977 0.119 1 230 16 16 U C3' C 72.394 0.215 1 231 16 16 U C4 C 165.551 0.000 1 232 16 16 U C4' C 82.845 0.076 1 233 16 16 U C5 C 105.192 0.000 1 234 16 16 U C5' C 64.799 0.062 1 235 16 16 U C6 C 141.318 0.000 1 236 16 16 U H1' H 5.642 0.012 1 237 16 16 U H2' H 4.088 0.012 1 238 16 16 U H3 H 10.376 0.045 1 239 16 16 U H3' H 4.483 0.003 1 240 16 16 U H4' H 4.403 0.005 1 241 16 16 U H5 H 5.656 0.020 1 242 16 16 U H5' H 4.435 0.003 1 243 16 16 U H5'' H 4.058 0.003 1 244 16 16 U H6 H 7.809 0.041 1 245 17 17 U C1' C 94.091 0.089 1 246 17 17 U C2 C 151.552 0.000 1 247 17 17 U C2' C 75.484 0.111 1 248 17 17 U C3' C 72.168 0.232 1 249 17 17 U C4 C 164.627 0.000 1 250 17 17 U C4' C 82.710 0.060 1 251 17 17 U C5 C 104.101 0.000 1 252 17 17 U C5' C 64.741 0.059 1 253 17 17 U C6 C 142.876 0.000 1 254 17 17 U H1' H 5.309 0.005 1 255 17 17 U H2' H 4.429 0.006 1 256 17 17 U H3 H 11.084 0.041 1 257 17 17 U H3' H 4.571 0.004 1 258 17 17 U H4' H 4.351 0.004 1 259 17 17 U H5 H 5.674 0.008 1 260 17 17 U H5' H 4.557 0.007 1 261 17 17 U H5'' H 4.086 0.004 1 262 17 17 U H6 H 7.880 0.014 1 263 18 18 A C1' C 92.224 0.113 1 264 18 18 A C2 C 153.849 0.000 1 265 18 18 A C2' C 75.952 0.052 1 266 18 18 A C3' C 73.795 0.210 1 267 18 18 A C4' C 82.672 0.064 1 268 18 18 A C5' C 65.898 0.013 1 269 18 18 A C8 C 140.078 0.000 1 270 18 18 A H1' H 6.023 0.010 1 271 18 18 A H2 H 8.059 0.053 1 272 18 18 A H2' H 4.602 0.009 1 273 18 18 A H3' H 4.636 0.005 1 274 18 18 A H4' H 4.487 0.014 1 275 18 18 A H5' H 4.429 0.007 1 276 18 18 A H5'' H 4.122 0.003 1 277 18 18 A H61 H 7.591 0.016 1 278 18 18 A H62 H 6.774 0.003 1 279 18 18 A H8 H 8.134 0.015 1 280 19 19 C C1' C 94.959 0.088 1 281 19 19 C C2' C 75.835 0.072 1 282 19 19 C C3' C 73.146 0.199 1 283 19 19 C C4' C 82.615 0.064 1 284 19 19 C C5 C 97.900 0.000 1 285 19 19 C C6 C 141.524 0.000 1 286 19 19 C H1' H 5.461 0.003 1 287 19 19 C H2' H 4.270 0.022 1 288 19 19 C H3' H 4.231 0.003 1 289 19 19 C H4' H 4.396 0.026 1 290 19 19 C H41 H 8.612 0.016 1 291 19 19 C H42 H 7.085 0.020 1 292 19 19 C H5 H 5.206 0.013 1 293 19 19 C H5' H 4.439 0.020 1 294 19 19 C H5'' H 4.029 0.001 1 295 19 19 C H6 H 7.332 0.014 1 296 20 20 C C1' C 93.028 0.121 1 297 20 20 C C2' C 77.751 0.108 1 298 20 20 C C3' C 69.968 0.213 1 299 20 20 C C4' C 83.874 0.087 1 300 20 20 C C5 C 98.701 0.000 1 301 20 20 C C6 C 142.175 0.000 1 302 20 20 C H1' H 5.800 0.006 1 303 20 20 C H2' H 4.019 0.009 1 304 20 20 C H3' H 4.174 0.005 1 305 20 20 C H4' H 4.169 0.006 1 306 20 20 C H41 H 8.398 0.023 1 307 20 20 C H42 H 7.066 0.017 1 308 20 20 C H5 H 5.515 0.018 1 309 20 20 C H5'' H 4.475 0.003 1 310 20 20 C H6 H 7.703 0.022 1 stop_ save_