data_27173 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of a 22mer G-quadruplex forming within KRAS oncogene promoter region at physiological temperature ; _BMRB_accession_number 27173 _BMRB_flat_file_name bmr27173.str _Entry_type original _Submission_date 2017-07-12 _Accession_date 2017-07-12 _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 Marquevielle Julien . . 2 'Kumar M.V.' Vasantha . . 3 Mergny Jean-Louis . . 4 Salgado 'Gilmar F.' . . 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" 136 "15N chemical shifts" 12 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 update BMRB 'update entry citation' 2017-07-20 original author 'original release' stop_ _Original_release_date 2017-07-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N chemical shift assignments of a G-quadruplex forming sequence within the KRAS proto-oncogene promoter region ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29189986 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marquevielle Julien . . 2 'Kumar M.V.' Vasantha . . 3 Mergny Jean-Louis . . 4 Salgado 'Gilmar F.' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 123 _Page_last 127 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'KRAS promoter region' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KRAS promoter region G-quadruplex' $KRAS22RT 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_KRAS22RT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common KRAS22RT _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; AGGGCGGTGTGGGAATAGGG AA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DA 2 2 DG 3 3 DG 4 4 DG 5 5 DC 6 6 DG 7 7 DG 8 8 DT 9 9 DG 10 10 DT 11 11 DG 12 12 DG 13 13 DG 14 14 DA 15 15 DA 16 16 DT 17 17 DA 18 18 DG 19 19 DG 20 20 DG 21 21 DA 22 22 DA 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 $KRAS22RT Human 9606 Eukaryota Metazoa Homo sapiens 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 $KRAS22RT 'chemical synthesis' . . . . . 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 $KRAS22RT 2.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Buffer_1X _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.66 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chem_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 water C 13 protons . . . . . . . . water H 1 protons . . . . . . . 1 water N 15 protons . . . . . . . . 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-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Buffer_1X _Chem_shift_reference_set_label $Chem_shift_reference _Mol_system_component_name 'KRAS promoter region G-quadruplex' _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 DA H1' H 5.982 0.005 1 2 1 1 DA H2 H 8.141 0.000 1 3 1 1 DA H2' H 2.514 0.008 2 4 1 1 DA H2'' H 2.647 0.004 2 5 1 1 DA H3' H 4.867 0.005 1 6 1 1 DA H4' H 4.140 0.001 1 7 1 1 DA H5' H 3.704 0.003 1 8 1 1 DA H5'' H 3.704 0.003 1 9 1 1 DA H8 H 7.937 0.009 1 10 1 1 DA C1' C 84.610 0.000 1 11 1 1 DA C2 C 152.898 0.000 1 12 1 1 DA C2' C 37.771 0.025 2 13 1 1 DA C3' C 74.651 0.000 1 14 1 1 DA C4' C 85.102 0.000 1 15 1 1 DA C5' C 61.887 0.000 1 16 1 1 DA C8 C 139.724 0.000 1 17 2 2 DG H1 H 11.716 0.002 1 18 2 2 DG H1' H 6.095 0.004 1 19 2 2 DG H2' H 2.786 0.009 2 20 2 2 DG H2'' H 3.031 0.003 2 21 2 2 DG H3' H 5.061 0.005 1 22 2 2 DG H4' H 4.488 0.007 1 23 2 2 DG H5' H 4.164 0.009 1 24 2 2 DG H5'' H 4.164 0.009 1 25 2 2 DG H8 H 8.052 0.003 1 26 2 2 DG C1' C 82.992 0.000 1 27 2 2 DG C2' C 37.497 0.039 2 28 2 2 DG C3' C 77.143 0.000 1 29 2 2 DG C4' C 85.222 0.000 1 30 2 2 DG C5' C 66.074 0.000 1 31 2 2 DG C8 C 135.490 0.000 1 32 2 2 DG N1 N 143.176 0.000 1 33 3 3 DG H1 H 11.218 0.007 1 34 3 3 DG H1' H 6.162 0.009 1 35 3 3 DG H2' H 2.524 0.003 2 36 3 3 DG H2'' H 2.922 0.006 2 37 3 3 DG H3' H 4.966 0.003 1 38 3 3 DG H4' H 4.568 0.002 1 39 3 3 DG H5' H 4.344 0.000 2 40 3 3 DG H5'' H 4.245 0.005 2 41 3 3 DG H8 H 7.610 0.006 1 42 3 3 DG C1' C 82.056 0.000 1 43 3 3 DG C2' C 40.104 0.018 2 44 3 3 DG C3' C 75.958 0.000 1 45 3 3 DG C4' C 84.842 0.000 1 46 3 3 DG C5' C 65.896 0.013 2 47 3 3 DG C8 C 134.384 0.000 1 48 3 3 DG N1 N 143.428 0.000 1 49 4 4 DG H1 H 11.260 0.003 1 50 4 4 DG H1' H 6.340 0.009 1 51 4 4 DG H2' H 2.785 0.003 1 52 4 4 DG H2'' H 2.785 0.003 1 53 4 4 DG H3' H 5.171 0.011 1 54 4 4 DG H4' H 4.697 0.007 1 55 4 4 DG H5' H 4.355 0.000 2 56 4 4 DG H5'' H 4.384 0.000 2 57 4 4 DG H8 H 7.729 0.005 1 58 4 4 DG C1' C 80.876 0.000 1 59 4 4 DG C2' C 39.843 0.000 1 60 4 4 DG C3' C 78.524 0.000 1 61 4 4 DG C5' C 64.941 0.003 2 62 4 4 DG C8 C 135.342 0.000 1 63 4 4 DG N1 N 143.370 0.000 1 64 5 5 DC H1' H 6.535 0.005 1 65 5 5 DC H2' H 2.455 0.004 2 66 5 5 DC H2'' H 2.786 0.012 2 67 5 5 DC H3' H 5.137 0.004 1 68 5 5 DC H4' H 4.677 0.004 1 69 5 5 DC H5 H 6.243 0.017 1 70 5 5 DC H5' H 4.329 0.001 2 71 5 5 DC H5'' H 4.418 0.013 2 72 5 5 DC H6 H 8.087 0.001 1 73 5 5 DC C1' C 86.270 0.000 1 74 5 5 DC C2' C 39.809 0.028 2 75 5 5 DC C3' C 75.941 0.000 1 76 5 5 DC C4' C 84.882 0.000 1 77 5 5 DC C5 C 96.874 0.000 1 78 5 5 DC C5' C 66.554 0.007 2 79 5 5 DC C6 C 141.604 0.000 1 80 6 6 DG H1 H 11.915 0.009 1 81 6 6 DG H1' H 6.243 0.005 1 82 6 6 DG H2' H 2.476 0.011 2 83 6 6 DG H2'' H 3.007 0.005 2 84 6 6 DG H3' H 5.235 0.012 1 85 6 6 DG H4' H 4.510 0.012 1 86 6 6 DG H5' H 4.357 0.017 2 87 6 6 DG H5'' H 4.280 0.012 2 88 6 6 DG H8 H 8.117 0.003 1 89 6 6 DG C1' C 84.855 0.000 1 90 6 6 DG C2' C 41.698 0.010 2 91 6 6 DG C3' C 77.892 0.000 1 92 6 6 DG C4' C 85.644 0.000 1 93 6 6 DG C5' C 65.660 0.000 1 94 6 6 DG C8 C 135.451 0.000 1 95 6 6 DG N1 N 143.274 0.000 1 96 7 7 DG H1 H 11.337 0.006 1 97 7 7 DG H1' H 6.331 0.002 1 98 7 7 DG H2' H 2.757 0.007 2 99 7 7 DG H2'' H 2.897 0.004 2 100 7 7 DG H3' H 5.221 0.011 1 101 7 7 DG H4' H 4.703 0.005 1 102 7 7 DG H5' H 4.389 0.000 2 103 7 7 DG H5'' H 4.500 0.004 2 104 7 7 DG H8 H 8.019 0.004 1 105 7 7 DG C1' C 83.204 0.000 1 106 7 7 DG C2' C 40.257 0.019 2 107 7 7 DG C3' C 78.063 0.000 1 108 7 7 DG C5' C 65.160 0.000 1 109 7 7 DG C8 C 136.130 0.000 1 110 7 7 DG N1 N 142.892 0.000 1 111 8 8 DT H1' H 5.832 0.004 1 112 8 8 DT H2' H 2.221 0.002 2 113 8 8 DT H2'' H 2.281 0.001 2 114 8 8 DT H3' H 4.697 0.000 1 115 8 8 DT H4' H 4.447 0.008 1 116 8 8 DT H5' H 4.385 0.006 2 117 8 8 DT H5'' H 4.138 0.008 2 118 8 8 DT H6 H 7.469 0.003 1 119 8 8 DT H71 H 1.829 0.002 1 120 8 8 DT H72 H 1.829 0.002 1 121 8 8 DT H73 H 1.829 0.002 1 122 8 8 DT C1' C 83.760 0.000 1 123 8 8 DT C2' C 37.222 0.006 2 124 8 8 DT C4' C 83.428 0.000 1 125 8 8 DT C5' C 64.709 0.000 1 126 8 8 DT C6 C 136.982 0.000 1 127 8 8 DT C7 C 11.968 0.000 1 128 9 9 DG H1 H 11.252 0.007 1 129 9 9 DG H1' H 6.507 0.003 1 130 9 9 DG H2' H 2.533 0.006 2 131 9 9 DG H2'' H 3.115 0.004 2 132 9 9 DG H3' H 5.047 0.016 1 133 9 9 DG H4' H 4.711 0.002 1 134 9 9 DG H5' H 4.457 0.010 2 135 9 9 DG H5'' H 4.348 0.000 2 136 9 9 DG H8 H 7.719 0.004 1 137 9 9 DG C1' C 83.701 0.000 1 138 9 9 DG C2' C 40.291 0.024 2 139 9 9 DG C3' C 77.354 0.000 1 140 9 9 DG C5' C 66.584 0.012 2 141 9 9 DG C8 C 135.522 0.000 1 142 9 9 DG N1 N 143.314 0.000 1 143 10 10 DT H1' H 6.594 0.004 1 144 10 10 DT H2' H 2.581 0.003 2 145 10 10 DT H2'' H 2.700 0.006 2 146 10 10 DT H3' H 5.229 0.011 1 147 10 10 DT H4' H 4.646 0.006 1 148 10 10 DT H5' H 4.366 0.010 2 149 10 10 DT H5'' H 4.484 0.006 2 150 10 10 DT H6 H 8.023 0.004 1 151 10 10 DT H71 H 2.024 0.004 1 152 10 10 DT H72 H 2.024 0.004 1 153 10 10 DT H73 H 2.024 0.004 1 154 10 10 DT C1' C 85.556 0.000 1 155 10 10 DT C2' C 38.694 0.009 2 156 10 10 DT C3' C 73.836 0.000 1 157 10 10 DT C4' C 84.788 0.000 1 158 10 10 DT C5' C 65.826 0.000 1 159 10 10 DT C6 C 137.698 0.000 1 160 10 10 DT C7 C 11.962 0.000 1 161 11 11 DG H1 H 11.950 0.003 1 162 11 11 DG H1' H 6.228 0.004 1 163 11 11 DG H2' H 2.665 0.002 2 164 11 11 DG H2'' H 3.037 0.007 2 165 11 11 DG H3' H 5.179 0.002 1 166 11 11 DG H4' H 4.527 0.008 1 167 11 11 DG H5' H 4.361 0.002 1 168 11 11 DG H5'' H 4.361 0.002 1 169 11 11 DG H8 H 8.195 0.003 1 170 11 11 DG C1' C 85.328 0.000 1 171 11 11 DG C2' C 41.054 0.008 2 172 11 11 DG C3' C 75.684 0.000 1 173 11 11 DG C4' C 84.659 0.000 1 174 11 11 DG C5' C 66.569 0.000 1 175 11 11 DG C8 C 135.837 0.000 1 176 11 11 DG N1 N 143.383 0.000 1 177 12 12 DG H1 H 11.520 0.005 1 178 12 12 DG H1' H 6.067 0.007 1 179 12 12 DG H2' H 2.670 0.009 2 180 12 12 DG H2'' H 3.047 0.002 2 181 12 12 DG H3' H 5.172 0.010 1 182 12 12 DG H4' H 4.935 0.015 1 183 12 12 DG H5' H 4.335 0.003 2 184 12 12 DG H5'' H 4.432 0.072 2 185 12 12 DG H8 H 7.994 0.004 1 186 12 12 DG C1' C 81.831 0.000 1 187 12 12 DG C2' C 41.052 0.000 1 188 12 12 DG C3' C 75.529 0.000 1 189 12 12 DG C4' C 75.274 0.000 1 190 12 12 DG C5' C 66.771 0.000 1 191 12 12 DG C8 C 136.169 0.000 1 192 12 12 DG N1 N 143.092 0.000 1 193 13 13 DG H1 H 11.216 0.005 1 194 13 13 DG H1' H 6.359 0.006 1 195 13 13 DG H2' H 2.512 0.008 2 196 13 13 DG H2'' H 2.673 0.003 2 197 13 13 DG H3' H 4.785 0.000 1 198 13 13 DG H4' H 3.900 0.010 1 199 13 13 DG H5' H 3.371 0.021 2 200 13 13 DG H5'' H 3.080 0.003 2 201 13 13 DG H8 H 7.762 0.007 1 202 13 13 DG C1' C 82.739 0.000 1 203 13 13 DG C2' C 37.959 0.009 2 204 13 13 DG C3' C 76.864 0.000 1 205 13 13 DG C4' C 85.063 0.000 1 206 13 13 DG C5' C 65.447 0.000 1 207 13 13 DG C8 C 135.540 0.000 1 208 13 13 DG N1 N 142.742 0.000 1 209 14 14 DA H1' H 6.310 0.005 1 210 14 14 DA H2 H 8.132 0.000 1 211 14 14 DA H2' H 2.750 0.005 2 212 14 14 DA H2'' H 2.812 0.020 2 213 14 14 DA H3' H 4.948 0.005 1 214 14 14 DA H4' H 4.400 0.008 1 215 14 14 DA H5' H 4.173 0.004 2 216 14 14 DA H5'' H 4.058 0.014 2 217 14 14 DA H8 H 8.282 0.001 1 218 14 14 DA C1' C 83.252 0.000 1 219 14 14 DA C2 C 153.077 0.000 1 220 14 14 DA C2' C 37.240 0.015 2 221 14 14 DA C3' C 75.953 0.000 1 222 14 14 DA C4' C 84.653 0.000 1 223 14 14 DA C5' C 66.553 0.005 2 224 14 14 DA C8 C 139.541 0.000 1 225 15 15 DA H1' H 6.499 0.007 1 226 15 15 DA H2 H 8.000 0.000 1 227 15 15 DA H2' H 2.860 0.005 2 228 15 15 DA H2'' H 3.003 0.003 2 229 15 15 DA H3' H 5.141 0.003 1 230 15 15 DA H4' H 4.567 0.010 1 231 15 15 DA H5' H 4.332 0.000 2 232 15 15 DA H5'' H 4.162 0.000 2 233 15 15 DA H8 H 8.503 0.003 1 234 15 15 DA C1' C 87.218 0.000 1 235 15 15 DA C2 C 152.750 0.000 1 236 15 15 DA C2' C 38.689 0.033 2 237 15 15 DA C3' C 75.944 0.000 1 238 15 15 DA C4' C 84.461 0.000 1 239 15 15 DA C5' C 65.485 0.016 2 240 15 15 DA C8 C 140.012 0.000 1 241 16 16 DT H1' H 6.110 0.004 1 242 16 16 DT H2' H 1.733 0.003 2 243 16 16 DT H2'' H 2.196 0.007 2 244 16 16 DT H3' H 5.141 0.001 1 245 16 16 DT H4' H 4.822 0.001 1 246 16 16 DT H5' H 4.144 0.001 2 247 16 16 DT H5'' H 4.306 0.005 2 248 16 16 DT H6 H 7.573 0.003 1 249 16 16 DT H71 H 1.949 0.003 1 250 16 16 DT H72 H 1.949 0.003 1 251 16 16 DT H73 H 1.949 0.003 1 252 16 16 DT C1' C 85.079 0.000 1 253 16 16 DT C2' C 37.729 0.008 2 254 16 16 DT C5' C 65.781 0.099 2 255 16 16 DT C6 C 136.722 0.000 1 256 16 16 DT C7 C 11.972 0.000 1 257 17 17 DA H1' H 6.286 0.003 1 258 17 17 DA H2 H 7.809 0.000 1 259 17 17 DA H2' H 2.799 0.007 2 260 17 17 DA H2'' H 2.864 0.006 2 261 17 17 DA H3' H 5.112 0.006 1 262 17 17 DA H4' H 4.387 0.005 1 263 17 17 DA H5' H 4.125 0.004 2 264 17 17 DA H5'' H 3.997 0.007 2 265 17 17 DA H8 H 8.132 0.002 1 266 17 17 DA C1' C 82.763 0.000 1 267 17 17 DA C2 C 152.404 0.000 1 268 17 17 DA C2' C 37.932 0.022 2 269 17 17 DA C3' C 76.663 0.000 1 270 17 17 DA C4' C 85.329 0.000 1 271 17 17 DA C5' C 65.602 0.000 1 272 17 17 DA C8 C 139.368 0.000 1 273 18 18 DG H1 H 11.483 0.003 1 274 18 18 DG H1' H 6.142 0.005 1 275 18 18 DG H2' H 2.753 0.006 2 276 18 18 DG H2'' H 3.005 0.004 2 277 18 18 DG H3' H 5.097 0.006 1 278 18 18 DG H4' H 4.537 0.005 1 279 18 18 DG H5' H 4.259 0.014 1 280 18 18 DG H5'' H 4.259 0.014 1 281 18 18 DG H8 H 8.201 0.003 1 282 18 18 DG C1' C 82.749 0.000 1 283 18 18 DG C2' C 38.928 0.024 2 284 18 18 DG C3' C 76.430 0.000 1 285 18 18 DG C4' C 84.872 0.000 1 286 18 18 DG C5' C 66.101 0.000 1 287 18 18 DG C8 C 135.887 0.000 1 288 18 18 DG N1 N 143.433 0.000 1 289 19 19 DG H1 H 11.357 0.003 1 290 19 19 DG H1' H 6.125 0.015 1 291 19 19 DG H2' H 2.789 0.002 2 292 19 19 DG H2'' H 3.002 0.000 2 293 19 19 DG H3' H 5.117 0.008 1 294 19 19 DG H5' H 4.586 0.000 2 295 19 19 DG H5'' H 4.337 0.004 2 296 19 19 DG H8 H 7.955 0.007 1 297 19 19 DG C1' C 82.555 0.000 1 298 19 19 DG C2' C 38.914 0.031 2 299 19 19 DG C3' C 76.655 0.000 1 300 19 19 DG C4' C 84.668 0.000 1 301 19 19 DG C5' C 70.051 0.000 1 302 19 19 DG C8 C 135.250 0.000 1 303 19 19 DG N1 N 143.057 0.000 1 304 20 20 DG H1 H 10.880 0.005 1 305 20 20 DG H1' H 6.068 0.016 1 306 20 20 DG H2' H 2.519 0.006 2 307 20 20 DG H2'' H 2.780 0.009 2 308 20 20 DG H3' H 4.991 0.006 1 309 20 20 DG H4' H 4.464 0.099 1 310 20 20 DG H5' H 4.333 0.010 2 311 20 20 DG H5'' H 4.169 0.005 2 312 20 20 DG H8 H 7.656 0.005 1 313 20 20 DG C1' C 82.270 0.000 1 314 20 20 DG C2' C 37.266 0.010 2 315 20 20 DG C3' C 76.633 0.000 1 316 20 20 DG C4' C 84.426 0.000 1 317 20 20 DG C5' C 66.074 0.023 2 318 20 20 DG C8 C 134.631 0.000 1 319 20 20 DG N1 N 143.273 0.000 1 320 21 21 DA H1' H 6.008 0.007 1 321 21 21 DA H2 H 7.920 0.000 1 322 21 21 DA H2' H 2.389 0.009 2 323 21 21 DA H2'' H 2.530 0.006 2 324 21 21 DA H3' H 4.867 0.007 1 325 21 21 DA H4' H 4.335 0.008 1 326 21 21 DA H5' H 4.165 0.010 1 327 21 21 DA H5'' H 4.165 0.010 1 328 21 21 DA H8 H 7.853 0.003 1 329 21 21 DA C1' C 82.520 0.000 1 330 21 21 DA C2 C 152.471 0.000 1 331 21 21 DA C2' C 37.266 0.010 2 332 21 21 DA C3' C 76.633 0.000 1 333 21 21 DA C4' C 84.426 0.000 1 334 21 21 DA C5' C 66.074 0.023 2 335 21 21 DA C8 C 138.509 0.000 1 336 22 22 DA H1' H 6.095 0.005 1 337 22 22 DA H2 H 7.890 0.000 1 338 22 22 DA H2' H 2.362 0.006 2 339 22 22 DA H2'' H 2.480 0.002 2 340 22 22 DA H3' H 4.894 0.010 1 341 22 22 DA H4' H 4.577 0.010 1 342 22 22 DA H5' H 4.108 0.041 2 343 22 22 DA H5'' H 4.064 0.014 2 344 22 22 DA H8 H 7.993 0.003 1 345 22 22 DA C1' C 82.030 0.000 1 346 22 22 DA C2 C 152.458 0.000 1 347 22 22 DA C2' C 39.582 0.005 2 348 22 22 DA C3' C 76.202 0.000 1 349 22 22 DA C4' C 84.620 0.000 1 350 22 22 DA C5' C 64.660 0.000 1 351 22 22 DA C8 C 139.073 0.000 1 stop_ save_