data_5655 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; U80G U6 ISL RNA Chemical Shifts ; _BMRB_accession_number 5655 _BMRB_flat_file_name bmr5655.str _Entry_type original _Submission_date 2002-12-05 _Accession_date 2003-01-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sashital Dipali G. . 2 Allmann Anne M. . 3 'Van Doren' Steve . . 4 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" 203 "13C chemical shifts" 138 "15N chemical shifts" 15 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-25 original author 'Original release' 2009-06-02 update BMRB 'complete entry citation' stop_ loop_ _Related_BMRB_accession_number _Relationship 5371 'Wild Type U6 RNA' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for a lethal mutation in U6 RNA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12578359 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sashital D. G. . 2 Allmann A. M. . 3 'Van Doren' S. R. . 4 Butcher S. E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1470 _Page_last 1477 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system_U6_ISL_RNA _Saveframe_category molecular_system _Mol_system_name 'U80G U6 ISL RNA' _Abbreviation_common 'U80G U6 ISL RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'U80G U6 ISL RNA' $U6_ISL_RNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_U6_ISL_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'U6 ISL RNA' _Abbreviation_common 'U6 ISL RNA' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; GGUUCCCCUGCAUAAGGAGG AACC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 U 4 U 5 C 6 C 7 C 8 C 9 U 10 G 11 C 12 A 13 U 14 A 15 A 16 G 17 G 18 A 19 G 20 G 21 A 22 A 23 C 24 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_ISL_RNA '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 $U6_ISL_RNA 'recombinant technology' . . . . . 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 $U6_ISL_RNA 1.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name CNS _Version 1.1 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 400 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details cryoprobe save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details 'QNP (Quadruple nucleus probe) tuned to phosphorous' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 303 0.5 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 TSP C 13 'methyl protons' ppm 0 . . indirect . . 0.251449530 $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0 internal indirect cylindrical internal parallel 1.0 $entry_citation $entry_citation TSP N 15 'methyl protons' ppm 0 . . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'U80G U6 ISL RNA' _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 N1 N 147.05 0.100 1 2 . 1 G C8 C 139.243 0.100 1 3 . 1 G C5' C 66.668 0.107 1 4 . 1 G C4' C 83.497 0.198 1 5 . 1 G C3' C 74.353 0.150 1 6 . 1 G C2' C 75.502 0.180 1 7 . 1 G C1' C 92.294 0.113 1 8 . 1 G H8 H 8.154 0.004 1 9 . 1 G H5' H 4.278 0.002 1 10 . 1 G H5'' H 4.428 0.027 1 11 . 1 G H4' H 4.561 0.003 1 12 . 1 G H3' H 4.727 0.037 1 13 . 1 G H2' H 4.967 0.027 1 14 . 1 G H1' H 5.835 0.004 1 15 . 1 G H1 H 12.954 0.008 1 16 . 2 G H22 H 6.221 0.013 1 17 . 2 G H21 H 8.537 0.013 1 18 . 2 G N1 N 148.101 0.100 1 19 . 2 G C8 C 137.084 0.100 1 20 . 2 G C1' C 91.599 0.150 1 21 . 2 G H8 H 7.587 0.003 1 22 . 2 G H5'' H 4.252 0.009 1 23 . 2 G H5' H 4.236 0.010 1 24 . 2 G H4' H 4.51 0.006 1 25 . 2 G H3' H 4.428 0.006 1 26 . 2 G H2' H 4.561 0.003 1 27 . 2 G H1' H 5.936 0.002 1 28 . 2 G H1 H 13.457 0.008 1 29 . 3 U N3 N 162.313 0.107 1 30 . 3 U C6 C 141.893 0.150 1 31 . 3 U C5' C 64.806 0.107 1 32 . 3 U C5 C 102.821 0.100 1 33 . 3 U C4' C 82.536 0.100 1 34 . 3 U C3' C 72.697 0.100 1 35 . 3 U C2' C 75.76 0.100 1 36 . 3 U C1' C 94.108 0.100 1 37 . 3 U H6 H 7.844 0.004 1 38 . 3 U H5' H 4.135 0.001 1 39 . 3 U H5 H 5.134 0.001 1 40 . 3 U H4' H 4.487 0.001 1 41 . 3 U H3' H 4.504 0.013 1 42 . 3 U H2' H 4.518 0.012 1 43 . 3 U H1' H 5.618 0.004 1 44 . 3 U H3 H 14.428 0.004 1 45 . 4 U N3 N 162.806 0.200 1 46 . 4 U C6 C 142.436 0.150 1 47 . 4 U C5' C 65.187 0.009 1 48 . 4 U C5 C 103.463 0.150 1 49 . 4 U C4' C 82.397 0.150 1 50 . 4 U C3' C 73.067 0.150 1 51 . 4 U C2' C 75.863 0.150 1 52 . 4 U C1' C 93.968 0.150 1 53 . 4 U H6 H 8.026 0.003 1 54 . 4 U H5' H 4.136 0.011 1 55 . 4 U H5'' H 4.552 0.007 1 56 . 4 U H5 H 5.616 0.003 1 57 . 4 U H4' H 4.491 0.006 1 58 . 4 U H3' H 4.526 0.006 1 59 . 4 U H2' H 4.487 0.002 1 60 . 4 U H1' H 5.692 0.008 1 61 . 4 U H3 H 13.881 0.013 1 62 . 5 C H42 H 7.015 0.005 1 63 . 5 C H41 H 8.452 0.007 1 64 . 5 C N3 N 198.083 0.200 1 65 . 5 C C6 C 141.766 0.150 1 66 . 5 C C5' C 65.439 0.047 1 67 . 5 C C5 C 97.686 0.027 1 68 . 5 C C4' C 82.172 0.150 1 69 . 5 C C3' C 75.979 0.150 1 70 . 5 C C2' C 72.95 0.150 1 71 . 5 C C1' C 94.14 0.129 1 72 . 5 C H6 H 7.884 0.043 1 73 . 5 C H5' H 4.136 0.005 1 74 . 5 C H5'' H 4.562 0.004 1 75 . 5 C H5 H 5.681 0.009 1 76 . 5 C H4' H 4.473 0.002 1 77 . 5 C H3' H 4.407 0.008 1 78 . 5 C H2' H 4.459 0.003 1 79 . 5 C H1' H 5.571 0.001 1 80 . 6 C H41 H 8.351 0.008 1 81 . 6 C N3 N 196.244 0.200 1 82 . 6 C C6 C 141.292 0.150 1 83 . 6 C C5' C 64.775 0.024 1 84 . 6 C C5 C 97.822 0.136 1 85 . 6 C C4' C 82.878 0.150 1 86 . 6 C C3' C 75.399 0.150 1 87 . 6 C C2' C 76.059 0.189 1 88 . 6 C C1' C 93.309 0.273 1 89 . 6 C H6 H 7.73 0.046 1 90 . 6 C H5' H 4.095 0.002 1 91 . 6 C H5'' H 4.566 0.001 1 92 . 6 C H5 H 5.574 0.003 1 93 . 6 C H4' H 4.465 0.004 1 94 . 6 C H3' H 4.558 0.008 1 95 . 6 C H2' H 4.349 0.003 1 96 . 6 C H1' H 5.515 0.002 1 97 . 7 C H42 H 7.068 0.005 1 98 . 7 C H41 H 8.429 0.005 1 99 . 7 C N3 N 198.053 0.200 1 100 . 7 C C6 C 141.59 0.150 1 101 . 7 C C5' C 64.462 0.113 1 102 . 7 C C5 C 97.695 0.150 1 103 . 7 C C4' C 82.249 0.150 1 104 . 7 C C3' C 75.622 0.150 1 105 . 7 C C2' C 72.474 0.150 1 106 . 7 C C1' C 94.463 0.164 1 107 . 7 C H6 H 7.878 0.003 1 108 . 7 C H5' H 4.079 0.017 1 109 . 7 C H5'' H 4.531 0.014 1 110 . 7 C H5 H 5.661 0.004 1 111 . 7 C H4' H 4.391 0.017 1 112 . 7 C H3' H 4.35 0.002 1 113 . 7 C H2' H 4.521 0.004 1 114 . 7 C H1' H 5.447 0.004 1 115 . 8 C H42 H 7.112 0.005 1 116 . 8 C H41 H 8.391 0.005 1 117 . 8 C C6 C 141.453 0.150 1 118 . 8 C C5' C 64.486 0.101 1 119 . 8 C C5 C 97.806 0.134 1 120 . 8 C C4' C 82.069 0.150 1 121 . 8 C C3' C 72.427 0.150 1 122 . 8 C C2' C 75.895 0.150 1 123 . 8 C C1' C 94.055 0.148 1 124 . 8 C H6 H 7.803 0.002 1 125 . 8 C H5' H 4.054 0.005 1 126 . 8 C H5'' H 4.515 0.018 1 127 . 8 C H5 H 5.567 0.005 1 128 . 8 C H4' H 4.334 0.002 1 129 . 8 C H3' H 4.466 0.007 1 130 . 8 C H2' H 4.229 0.010 1 131 . 8 C H1' H 5.357 0.001 1 132 . 9 U C6 C 140.851 0.150 1 133 . 9 U C5' C 64.815 0.150 1 134 . 9 U C5 C 104.26 0.150 1 135 . 9 U C4' C 82.528 0.150 1 136 . 9 U C3' C 76.121 0.150 1 137 . 9 U C2' C 72.853 0.150 1 138 . 9 U C1' C 93.835 0.150 1 139 . 9 U H6 H 7.587 0.004 1 140 . 9 U H5' H 4.072 0.002 1 141 . 9 U H5'' H 4.479 0.001 1 142 . 9 U H5 H 5.297 0.002 1 143 . 9 U H4' H 4.362 0.002 1 144 . 9 U H3' H 4.445 0.013 1 145 . 9 U H2' H 4.456 0.003 1 146 . 9 U H1' H 5.56 0.003 1 147 . 10 G C8 C 137.097 0.150 1 148 . 10 G C5' C 66.095 0.150 1 149 . 10 G C4' C 83.319 0.150 1 150 . 10 G C3' C 74.21 0.150 1 151 . 10 G C2' C 75.738 0.150 1 152 . 10 G C1' C 92.556 0.150 1 153 . 10 G H8 H 7.683 0.003 1 154 . 10 G H5' H 4.09 0.003 1 155 . 10 G H5'' H 4.36 0.005 1 156 . 10 G H4' H 4.416 0.005 1 157 . 10 G H3' H 4.568 0.001 1 158 . 10 G H2' H 4.435 0.006 1 159 . 10 G H1' H 5.569 0.002 1 160 . 11 C C6 C 142.515 0.150 1 161 . 11 C C5' C 66.022 0.153 1 162 . 11 C C5 C 97.94 0.150 1 163 . 11 C C4' C 83.573 0.150 1 164 . 11 C C3' C 75.097 0.150 1 165 . 11 C C2' C 76.068 0.150 1 166 . 11 C C1' C 92.577 0.028 1 167 . 11 C H6 H 7.487 0.003 1 168 . 11 C H5' H 4.0 0.015 1 169 . 11 C H5'' H 4.094 0.007 1 170 . 11 C H5 H 5.525 0.004 1 171 . 11 C H4' H 3.958 0.009 1 172 . 11 C H3' H 4.225 0.002 1 173 . 11 C H2' H 3.915 0.002 1 174 . 11 C H1' H 5.296 0.004 1 175 . 12 A C8 C 141.968 0.150 1 176 . 12 A C2 C 156.211 0.150 1 177 . 12 A C4' C 85.921 0.150 1 178 . 12 A H8 H 8.211 0.003 1 179 . 12 A H5' H 3.95 0.014 1 180 . 12 A H4' H 4.384 0.005 1 181 . 12 A H3' H 4.432 0.003 1 182 . 12 A H2' H 4.583 0.018 1 183 . 12 A H2 H 8.026 0.004 1 184 . 12 A H1' H 5.943 0.006 1 185 . 13 U C6 C 143.739 0.150 1 186 . 13 U C5' C 67.855 0.083 1 187 . 13 U C5 C 105.541 0.150 1 188 . 13 U C4' C 85.181 0.092 1 189 . 13 U C3' C 75.971 0.150 1 190 . 13 U C2' C 77.008 0.150 1 191 . 13 U C1' C 91.096 0.150 1 192 . 13 U H6 H 7.778 0.003 1 193 . 13 U H5' H 4.171 0.006 1 194 . 13 U H5'' H 4.165 0.005 1 195 . 13 U H5 H 5.833 0.005 1 196 . 13 U H4' H 4.429 0.004 1 197 . 13 U H3' H 4.391 0.013 1 198 . 13 U H2' H 4.683 0.005 1 199 . 13 U H1' H 5.899 0.002 1 200 . 14 A C8 C 141.223 0.150 1 201 . 14 A C2 C 155.393 0.150 1 202 . 14 A C2' C 76.344 0.102 1 203 . 14 A C1' C 92.957 0.150 1 204 . 14 A H8 H 8.025 0.006 1 205 . 14 A H5' H 4.241 0.004 1 206 . 14 A H3' H 4.615 0.003 1 207 . 14 A H2' H 4.86 0.001 1 208 . 14 A H2 H 8.108 0.003 1 209 . 14 A H1' H 5.94 0.002 1 210 . 15 A C8 C 140.369 0.150 1 211 . 15 A C2 C 153.802 0.150 1 212 . 15 A C1' C 92.675 0.150 1 213 . 15 A H8 H 8.064 0.003 1 214 . 15 A H5' H 4.296 0.006 1 215 . 15 A H4' H 4.375 0.002 1 216 . 15 A H3' H 4.72 0.001 1 217 . 15 A H2' H 4.49 0.002 1 218 . 15 A H2 H 7.688 0.005 1 219 . 15 A H1' H 5.396 0.003 1 220 . 16 G N1 N 147.481 0.150 1 221 . 16 G C8 C 136.37 0.150 1 222 . 16 G C5' C 67.513 0.123 1 223 . 16 G C4' C 82.273 0.150 1 224 . 16 G C3' C 72.659 0.150 1 225 . 16 G C2' C 74.108 0.154 1 226 . 16 G C1' C 94.42 0.250 1 227 . 16 G H8 H 7.072 0.004 1 228 . 16 G H5' H 4.047 0.008 1 229 . 16 G H5'' H 4.348 0.005 1 230 . 16 G H4' H 4.387 0.002 1 231 . 16 G H3' H 4.458 0.014 1 232 . 16 G H2' H 4.345 0.006 1 233 . 16 G H1' H 5.493 0.010 1 234 . 16 G H1 H 12.467 0.007 1 235 . 17 G N1 N 147.997 0.150 1 236 . 17 G C8 C 137.01 0.150 1 237 . 17 G C5' C 66.238 0.150 1 238 . 17 G C4' C 84.066 0.150 1 239 . 17 G C3' C 75.602 0.150 1 240 . 17 G C2' C 77.565 0.150 1 241 . 17 G C1' C 91.338 0.150 1 242 . 17 G H8 H 7.365 0.003 1 243 . 17 G H5' H 4.124 0.005 1 244 . 17 G H5'' H 4.492 0.005 1 245 . 17 G H4' H 4.487 0.003 1 246 . 17 G H3' H 4.693 0.005 1 247 . 17 G H2' H 4.283 0.003 1 248 . 17 G H1' H 5.812 0.004 1 249 . 17 G H1 H 12.716 0.015 1 250 . 18 A H62 H 7.179 0.015 1 251 . 18 A H61 H 7.714 0.015 1 252 . 18 A C8 C 141.526 0.150 1 253 . 18 A C2 C 155.193 0.150 1 254 . 18 A C5' C 67.227 0.003 1 255 . 18 A C4' C 84.24 0.150 1 256 . 18 A C3' C 75.613 0.150 1 257 . 18 A C2' C 76.43 0.150 1 258 . 18 A C1' C 91.326 0.067 1 259 . 18 A H8 H 8.179 0.008 1 260 . 18 A H5' H 4.188 0.005 1 261 . 18 A H5'' H 4.342 0.006 1 262 . 18 A H4' H 4.517 0.006 1 263 . 18 A H3' H 4.75 0.001 1 264 . 18 A H2' H 4.656 0.001 1 265 . 18 A H2 H 8.018 0.002 1 266 . 18 A H1' H 6.076 0.001 1 267 . 19 G C8 C 136.815 0.150 1 268 . 19 G C5' C 67.599 0.150 1 269 . 19 G C4' C 83.07 0.150 1 270 . 19 G C3' C 74.736 0.150 1 271 . 19 G C2' C 75.574 0.150 1 272 . 19 G C1' C 92.688 0.150 1 273 . 19 G H8 H 7.41 0.005 1 274 . 19 G H5' H 4.13 0.006 1 275 . 19 G H5'' H 4.337 0.011 1 276 . 19 G H4' H 4.508 0.014 1 277 . 19 G H3' H 4.414 0.009 1 278 . 19 G H2' H 4.721 0.004 1 279 . 19 G H1' H 5.588 0.005 1 280 . 19 G H1 H 12.709 0.006 1 281 . 20 G H21 H 7.916 0.015 1 282 . 20 G N1 N 146.862 0.200 1 283 . 20 G C8 C 136.684 0.150 1 284 . 20 G C5' C 66.245 0.121 1 285 . 20 G C4' C 82.469 0.150 1 286 . 20 G C3' C 73.535 0.150 1 287 . 20 G C2' C 75.881 0.150 1 288 . 20 G C1' C 93.119 0.150 1 289 . 20 G H8 H 7.274 0.004 1 290 . 20 G H5'' H 4.305 0.029 1 291 . 20 G H5' H 4.113 0.005 1 292 . 20 G H4' H 4.497 0.003 1 293 . 20 G H3' H 4.537 0.006 1 294 . 20 G H2' H 4.631 0.005 1 295 . 20 G H1' H 5.765 0.004 1 296 . 20 G H1 H 12.301 0.011 1 297 . 21 A H62 H 6.716 0.013 1 298 . 21 A H61 H 7.973 0.014 1 299 . 21 A N3 N 213.444 0.500 1 300 . 21 A N1 N 221.509 0.500 1 301 . 21 A C8 C 139.383 0.150 1 302 . 21 A C2 C 153.037 0.150 1 303 . 21 A C1' C 93.213 0.150 1 304 . 21 A H8 H 7.723 0.003 1 305 . 21 A H4' H 4.654 0.006 1 306 . 21 A H3' H 4.546 0.004 1 307 . 21 A H2' H 4.599 0.002 1 308 . 21 A H2 H 7.16 0.003 1 309 . 21 A H1' H 5.923 0.004 1 310 . 22 A H62 H 6.746 0.016 1 311 . 22 A H61 H 8.31 0.015 1 312 . 22 A N3 N 212.836 0.500 1 313 . 22 A N1 N 222.695 0.500 1 314 . 22 A C8 C 138.962 0.150 1 315 . 22 A C2 C 153.94 0.150 1 316 . 22 A C1' C 90.163 0.150 1 317 . 22 A H8 H 7.817 0.004 1 318 . 22 A H3' H 4.58 0.005 1 319 . 22 A H2' H 4.503 0.002 1 320 . 22 A H2 H 7.81 0.003 1 321 . 22 A H1' H 5.928 0.001 1 322 . 23 C H42 H 7.057 0.015 1 323 . 23 C H41 H 8.43 0.015 1 324 . 23 C N3 N 198.266 0.150 1 325 . 23 C C6 C 140.574 0.150 1 326 . 23 C C5' C 64.91 0.150 1 327 . 23 C C5 C 97.148 0.150 1 328 . 23 C C4' C 82.158 0.150 1 329 . 23 C C3' C 72.63 0.150 1 330 . 23 C C2' C 76.135 0.150 1 331 . 23 C C1' C 94.167 0.150 1 332 . 23 C H6 H 7.441 0.004 1 333 . 23 C H5' H 4.016 0.004 1 334 . 23 C H5'' H 4.495 0.002 1 335 . 23 C H5 H 5.182 0.002 1 336 . 23 C H4' H 4.361 0.002 1 337 . 23 C H3' H 4.347 0.006 1 338 . 23 C H2' H 4.121 0.004 1 339 . 23 C H1' H 5.387 0.006 1 340 . 24 C H42 H 6.966 0.015 1 341 . 24 C H41 H 8.433 0.015 1 342 . 24 C C6 C 141.754 0.150 1 343 . 24 C C5' C 65.526 0.150 1 344 . 24 C C5 C 98.343 0.150 1 345 . 24 C C4' C 83.807 0.150 1 346 . 24 C C3' C 70.239 0.150 1 347 . 24 C C2' C 77.874 0.150 1 348 . 24 C C1' C 93.129 0.150 1 349 . 24 C H6 H 7.64 0.003 1 350 . 24 C H5' H 4.026 0.004 1 351 . 24 C H5'' H 4.459 0.005 1 352 . 24 C H5 H 5.451 0.004 1 353 . 24 C H4' H 4.16 0.005 1 354 . 24 C H3' H 4.173 0.005 1 355 . 24 C H2' H 4.001 0.001 1 356 . 24 C H1' H 5.775 0.003 1 stop_ save_