data_34524 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of a parallel c-Myc modified with 3' duplex stem-loop overhang ; _BMRB_accession_number 34524 _BMRB_flat_file_name bmr34524.str _Entry_type original _Submission_date 2020-06-30 _Accession_date 2020-06-30 _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 Vianney Y. M. . 2 Weisz K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 251 "13C chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-01 original BMRB . stop_ _Original_release_date 2020-07-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Quadruplex-Duplex Junction: A High-Affinity Binding Site for Indoloquinoline Ligands ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32975874 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vianney Y. M. . 2 Preckwinkel P. . . 3 Mohr S. . . 4 Weisz K. . . stop_ _Journal_abbreviation Chemistry _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA (36-MER)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common entity_1 _Molecular_mass 11315.241 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; TGAGGGTGGGTAGGGTGGGC TAGTCATTTTGACTAG ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DG 3 DA 4 DG 5 DG 6 DG 7 DT 8 DG 9 DG 10 DG 11 DT 12 DA 13 DG 14 DG 15 DG 16 DT 17 DG 18 DG 19 DG 20 DC 21 DT 22 DA 23 DG 24 DT 25 DC 26 DA 27 DT 28 DT 29 DT 30 DT 31 DG 32 DA 33 DC 34 DT 35 DA 36 DG 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 $entity_1 . 32630 . . . . 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM 0 Nucleic acid, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' 'potassium phosphate buffer' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM 0 Nucleic acid, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' 'potassium phosphate buffer' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.4.2 loop_ _Vendor _Address _Electronic_address 'G.W. Vuister, R.H. Fogh' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.52 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Amber _Version 16 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE NEO' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_aromatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _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' 10 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . 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' 10 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144953 water H 1 protons ppm 4.84 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details '2D 1H-1H NOESY = 300 ms and 80 ms mixing time' loop_ _Experiment_label '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '2D DQF-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_1 _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 DT H1' H 5.757 0.004 1 2 1 1 DT H2' H 1.575 0.002 1 3 1 1 DT H2'' H 2.031 0.001 1 4 1 1 DT H3' H 4.410 0.003 1 5 1 1 DT H6 H 7.205 0.001 1 6 1 1 DT H71 H 1.642 0.002 1 7 1 1 DT H72 H 1.642 0.002 1 8 1 1 DT H73 H 1.642 0.002 1 9 1 1 DT C6 C 139.489 . 1 10 2 2 DG H1' H 5.566 0.002 1 11 2 2 DG H2' H 2.411 0.005 1 12 2 2 DG H2'' H 2.360 0.0 1 13 2 2 DG H3' H 4.706 0.002 1 14 2 2 DG H8 H 7.610 0.001 1 15 2 2 DG C8 C 139.153 . 1 16 3 3 DA H1' H 5.822 0.002 1 17 3 3 DA H2 H 7.728 0.0 1 18 3 3 DA H2' H 2.468 0.002 1 19 3 3 DA H2'' H 2.583 0.001 1 20 3 3 DA H3' H 4.856 . 1 21 3 3 DA H8 H 7.994 0.001 1 22 3 3 DA C8 C 141.461 . 1 23 4 4 DG H1 H 11.615 0.002 1 24 4 4 DG H1' H 6.031 0.001 1 25 4 4 DG H2' H 2.706 0.001 1 26 4 4 DG H2'' H 2.955 0.003 1 27 4 4 DG H3' H 4.976 . 1 28 4 4 DG H8 H 7.961 0.001 1 29 5 5 DG H1 H 11.223 0.002 1 30 5 5 DG H1' H 6.081 0.002 1 31 5 5 DG H2' H 2.442 0.004 1 32 5 5 DG H2'' H 2.793 0.002 1 33 5 5 DG H3' H 4.926 . 1 34 5 5 DG H8 H 7.577 0.001 1 35 5 5 DG C8 C 137.596 . 1 36 6 6 DG H1 H 10.814 0.007 1 37 6 6 DG H1' H 6.184 0.003 1 38 6 6 DG H2' H 2.614 0.002 1 39 6 6 DG H2'' H 2.540 0.004 1 40 6 6 DG H3' H 5.089 0.001 1 41 6 6 DG H8 H 7.540 0.001 1 42 6 6 DG C8 C 137.504 . 1 43 7 7 DT H1' H 6.522 0.001 1 44 7 7 DT H2' H 2.469 0.002 1 45 7 7 DT H2'' H 2.663 0.0 1 46 7 7 DT H3' H 5.107 0.002 1 47 7 7 DT H4' H 4.601 . 1 48 7 7 DT H6 H 7.850 0.001 1 49 7 7 DT H71 H 1.982 . 1 50 7 7 DT H72 H 1.982 . 1 51 7 7 DT H73 H 1.982 . 1 52 7 7 DT C6 C 139.890 . 1 53 8 8 DG H1 H 11.612 0.002 1 54 8 8 DG H1' H 6.133 0.004 1 55 8 8 DG H2' H 2.489 0.001 1 56 8 8 DG H2'' H 2.900 0.002 1 57 8 8 DG H3' H 5.057 . 1 58 8 8 DG H8 H 7.962 0.0 1 59 9 9 DG H1 H 11.460 0.002 1 60 9 9 DG H1' H 6.173 0.001 1 61 9 9 DG H2' H 2.630 0.003 1 62 9 9 DG H2'' H 2.864 0.003 1 63 9 9 DG H3' H 5.026 . 1 64 9 9 DG H8 H 7.773 0.004 1 65 9 9 DG C8 C 138.145 . 1 66 10 10 DG H1 H 11.309 0.002 1 67 10 10 DG H1' H 6.358 0.002 1 68 10 10 DG H2' H 2.674 0.001 1 69 10 10 DG H2'' H 2.555 0.0 1 70 10 10 DG H3' H 5.026 0.002 1 71 10 10 DG H4' H 4.462 . 1 72 10 10 DG H8 H 7.791 0.002 1 73 10 10 DG C8 C 138.299 . 1 74 11 11 DT H1' H 6.254 0.003 1 75 11 11 DT H2' H 2.232 0.003 1 76 11 11 DT H2'' H 2.466 0.002 1 77 11 11 DT H3' H 4.764 0.0 1 78 11 11 DT H6 H 7.670 0.001 1 79 11 11 DT H71 H 1.945 0.002 1 80 11 11 DT H72 H 1.945 0.002 1 81 11 11 DT H73 H 1.945 0.002 1 82 11 11 DT C6 C 140.110 . 1 83 12 12 DA H1' H 6.657 0.003 1 84 12 12 DA H2 H 8.336 0.001 1 85 12 12 DA H2' H 3.041 0.007 1 86 12 12 DA H2'' H 2.951 0.003 1 87 12 12 DA H3' H 5.149 0.001 1 88 12 12 DA H8 H 8.531 0.001 1 89 12 12 DA C8 C 143.180 . 1 90 13 13 DG H1 H 11.830 0.001 1 91 13 13 DG H1' H 6.167 0.002 1 92 13 13 DG H2' H 2.661 0.003 1 93 13 13 DG H2'' H 2.955 0.003 1 94 13 13 DG H3' H 5.012 0.001 1 95 13 13 DG H8 H 8.081 0.002 1 96 13 13 DG C8 C 138.423 . 1 97 14 14 DG H1 H 11.250 0.002 1 98 14 14 DG H1' H 6.234 0.0 1 99 14 14 DG H2' H 2.669 0.001 1 100 14 14 DG H2'' H 2.986 0.002 1 101 14 14 DG H3' H 5.020 . 1 102 14 14 DG H8 H 7.803 0.001 1 103 14 14 DG C8 C 137.863 . 1 104 15 15 DG H1 H 11.119 0.001 1 105 15 15 DG H1' H 6.409 0.001 1 106 15 15 DG H2' H 2.651 0.001 1 107 15 15 DG H2'' H 2.555 0.002 1 108 15 15 DG H3' H 5.117 0.004 1 109 15 15 DG H4' H 4.593 . 1 110 15 15 DG H8 H 7.788 0.001 1 111 15 15 DG C8 C 138.289 . 1 112 16 16 DT H1' H 6.505 0.001 1 113 16 16 DT H2' H 2.441 0.002 1 114 16 16 DT H2'' H 2.635 . 1 115 16 16 DT H3' H 5.059 0.0 1 116 16 16 DT H4' H 4.533 . 1 117 16 16 DT H6 H 7.836 0.002 1 118 16 16 DT H71 H 1.982 . 1 119 16 16 DT H72 H 1.982 . 1 120 16 16 DT H73 H 1.982 . 1 121 16 16 DT C6 C 139.884 . 1 122 17 17 DG H1 H 11.213 0.002 1 123 17 17 DG H1' H 5.990 0.001 1 124 17 17 DG H2' H 2.367 0.002 1 125 17 17 DG H2'' H 2.820 0.002 1 126 17 17 DG H3' H 5.059 . 1 127 17 17 DG H8 H 7.896 0.001 1 128 17 17 DG C8 C 137.825 . 1 129 18 18 DG H1 H 11.252 0.001 1 130 18 18 DG H1' H 6.112 0.001 1 131 18 18 DG H2' H 2.632 0.001 1 132 18 18 DG H2'' H 2.888 0.003 1 133 18 18 DG H3' H 5.073 0.001 1 134 18 18 DG H8 H 7.875 0.001 1 135 18 18 DG C8 C 138.236 . 1 136 19 19 DG H1 H 11.093 0.001 1 137 19 19 DG H1' H 5.992 0.002 1 138 19 19 DG H2' H 2.635 0.002 1 139 19 19 DG H2'' H 2.567 0.003 1 140 19 19 DG H3' H 4.995 0.001 1 141 19 19 DG H8 H 7.719 0.001 1 142 19 19 DG C8 C 138.221 . 1 143 20 20 DC H1' H 6.069 0.001 1 144 20 20 DC H2' H 2.074 0.002 1 145 20 20 DC H2'' H 2.368 0.004 1 146 20 20 DC H3' H 4.839 . 1 147 20 20 DC H5 H 5.399 0.002 1 148 20 20 DC H6 H 7.551 0.002 1 149 20 20 DC H41 H 7.819 0.001 1 150 20 20 DC H42 H 6.458 0.002 1 151 20 20 DC C6 C 142.882 . 1 152 21 21 DT H1' H 5.389 0.002 1 153 21 21 DT H2' H 2.088 0.001 1 154 21 21 DT H2'' H 2.279 0.002 1 155 21 21 DT H3 H 13.570 0.003 1 156 21 21 DT H3' H 4.825 . 1 157 21 21 DT H4' H 4.118 . 1 158 21 21 DT H5' H 4.017 . 1 159 21 21 DT H6 H 7.327 0.002 1 160 21 21 DT H71 H 1.598 0.002 1 161 21 21 DT H72 H 1.598 0.002 1 162 21 21 DT H73 H 1.598 0.002 1 163 21 21 DT C6 C 139.607 . 1 164 22 22 DA H1' H 6.006 0.001 1 165 22 22 DA H2 H 7.304 0.001 1 166 22 22 DA H2' H 2.829 0.001 1 167 22 22 DA H2'' H 2.889 0.004 1 168 22 22 DA H3' H 5.037 . 1 169 22 22 DA H8 H 8.254 0.001 1 170 22 22 DA C8 C 141.895 . 1 171 23 23 DG H1 H 12.658 0.002 1 172 23 23 DG H1' H 5.790 0.001 1 173 23 23 DG H2' H 2.440 0.001 1 174 23 23 DG H2'' H 2.660 0.001 1 175 23 23 DG H3' H 4.356 . 1 176 23 23 DG H8 H 7.590 0.001 1 177 23 23 DG C8 C 137.256 . 1 178 24 24 DT H1' H 5.900 0.001 1 179 24 24 DT H2' H 1.969 0.0 1 180 24 24 DT H2'' H 2.374 0.004 1 181 24 24 DT H3 H 13.637 0.002 1 182 24 24 DT H3' H 4.771 0.002 1 183 24 24 DT H6 H 7.159 0.002 1 184 24 24 DT H71 H 1.240 0.003 1 185 24 24 DT H72 H 1.240 0.003 1 186 24 24 DT H73 H 1.240 0.003 1 187 24 24 DT C6 C 138.494 . 1 188 25 25 DC H1' H 5.575 0.002 1 189 25 25 DC H2' H 1.768 0.005 1 190 25 25 DC H2'' H 2.225 0.001 1 191 25 25 DC H3' H 4.765 0.001 1 192 25 25 DC H5 H 5.605 0.003 1 193 25 25 DC H6 H 7.335 0.001 1 194 25 25 DC H41 H 8.524 0.002 1 195 25 25 DC H42 H 6.940 0.002 1 196 25 25 DC C6 C 143.556 . 1 197 26 26 DA H1' H 6.175 0.002 1 198 26 26 DA H2' H 2.709 0.001 1 199 26 26 DA H2'' H 2.540 0.003 1 200 26 26 DA H3' H 4.967 0.001 1 201 26 26 DA H8 H 8.164 0.001 1 202 26 26 DA C8 C 142.034 . 1 203 27 27 DT H1' H 5.990 0.003 1 204 27 27 DT H2' H 2.059 0.002 1 205 27 27 DT H2'' H 2.324 0.004 1 206 27 27 DT H3' H 4.667 0.001 1 207 27 27 DT H6 H 7.523 0.001 1 208 27 27 DT H71 H 1.782 0.001 1 209 27 27 DT H72 H 1.782 0.001 1 210 27 27 DT H73 H 1.782 0.001 1 211 27 27 DT C6 C 139.338 . 1 212 28 28 DT H1' H 5.727 0.002 1 213 28 28 DT H2' H 1.936 0.002 1 214 28 28 DT H2'' H 2.190 . 1 215 28 28 DT H3' H 4.603 0.004 1 216 28 28 DT H6 H 7.326 0.001 1 217 28 28 DT H71 H 1.590 0.002 1 218 28 28 DT H72 H 1.590 0.002 1 219 28 28 DT H73 H 1.590 0.002 1 220 28 28 DT C6 C 139.465 . 1 221 29 29 DT H1' H 5.972 0.002 1 222 29 29 DT H2' H 2.172 0.001 1 223 29 29 DT H2'' H 2.381 0.001 1 224 29 29 DT H3' H 4.711 . 1 225 29 29 DT H6 H 7.403 0.001 1 226 29 29 DT H71 H 1.625 0.001 1 227 29 29 DT H72 H 1.625 0.001 1 228 29 29 DT H73 H 1.625 0.001 1 229 29 29 DT C6 C 139.562 . 1 230 30 30 DT H1' H 5.682 0.002 1 231 30 30 DT H2' H 2.122 0.002 1 232 30 30 DT H2'' H 2.426 0.002 1 233 30 30 DT H3' H 4.692 . 1 234 30 30 DT H6 H 7.387 0.002 1 235 30 30 DT H71 H 1.817 0.001 1 236 30 30 DT H72 H 1.817 0.001 1 237 30 30 DT H73 H 1.817 0.001 1 238 30 30 DT C6 C 139.557 . 1 239 31 31 DG H1 H 12.647 0.002 1 240 31 31 DG H1' H 5.545 0.002 1 241 31 31 DG H2' H 2.669 0.002 1 242 31 31 DG H2'' H 2.748 0.003 1 243 31 31 DG H3' H 4.967 . 1 244 31 31 DG H8 H 7.918 0.001 1 245 31 31 DG C8 C 138.369 . 1 246 32 32 DA H1' H 6.211 0.005 1 247 32 32 DA H2 H 7.777 0.001 1 248 32 32 DA H2' H 2.656 0.002 1 249 32 32 DA H2'' H 2.849 0.002 1 250 32 32 DA H3' H 4.986 0.002 1 251 32 32 DA H8 H 8.181 0.001 1 252 32 32 DA C8 C 141.151 . 1 253 33 33 DC H1' H 5.701 0.002 1 254 33 33 DC H2' H 1.767 0.001 1 255 33 33 DC H2'' H 2.271 0.001 1 256 33 33 DC H3' H 4.608 . 1 257 33 33 DC H5 H 5.131 0.004 1 258 33 33 DC H6 H 7.177 0.003 1 259 33 33 DC H41 H 7.959 0.002 1 260 33 33 DC H42 H 6.594 0.003 1 261 33 33 DC C6 C 141.906 . 1 262 34 34 DT H1' H 5.214 0.002 1 263 34 34 DT H2' H 1.868 0.001 1 264 34 34 DT H2'' H 2.033 0.003 1 265 34 34 DT H3 H 13.655 0.002 1 266 34 34 DT H3' H 4.628 0.002 1 267 34 34 DT H6 H 7.165 0.001 1 268 34 34 DT H71 H 1.430 0.002 1 269 34 34 DT H72 H 1.430 0.002 1 270 34 34 DT H73 H 1.430 0.002 1 271 34 34 DT C6 C 139.623 . 1 272 35 35 DA H1' H 5.909 0.002 1 273 35 35 DA H2 H 7.445 0.001 1 274 35 35 DA H2' H 2.395 . 1 275 35 35 DA H2'' H 2.610 0.002 1 276 35 35 DA H3' H 4.852 0.007 1 277 35 35 DA H8 H 7.834 0.001 1 278 35 35 DA C8 C 141.768 . 1 279 36 36 DG H1' H 5.454 0.004 1 280 36 36 DG H2' H 2.377 0.004 1 281 36 36 DG H2'' H 2.274 0.0 1 282 36 36 DG H3' H 4.602 0.001 1 283 36 36 DG H4' H 4.063 0.001 1 284 36 36 DG H8 H 7.261 0.002 1 285 36 36 DG C8 C 136.907 . 1 stop_ save_