data_25110 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a left-handed G-quadruplex ; _BMRB_accession_number 25110 _BMRB_flat_file_name bmr25110.str _Entry_type original _Submission_date 2014-07-25 _Accession_date 2014-07-25 _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 Chung 'Wan Jun' . . 2 Heddi Brahim . . 3 Schmitt Emmanuelle . . 4 Lim 'Kah Wai' . . 5 Mechulam Yves . . 6 Phan 'Anh Tuan' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 267 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-16 update BMRB 'update entry citation' 2015-02-16 original author 'original release' stop_ _Original_release_date 2015-10-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of a left-handed DNA G-quadruplex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25695967 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chung 'Wan Jun' . . 2 Heddi Brahim . . 3 Schmitt Emmanuelle . . 4 Lim 'Kah Wai' . . 5 Mechulam Yves . . 6 Phan 'Anh Tuan' . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 112 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2729 _Page_last 2733 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'left-handed G-quadruplex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (28-MER)' $DNA_(28-MER) 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_DNA_(28-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(28-MER) _Molecular_mass 8872.726 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; TGGTGGTGGTGGTTGTGGTG GTGGTGTT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DT 2 2 DG 3 3 DG 4 4 DT 5 5 DG 6 6 DG 7 7 DT 8 8 DG 9 9 DG 10 10 DT 11 11 DG 12 12 DG 13 13 DT 14 14 DT 15 15 DG 16 16 DT 17 17 DG 18 18 DG 19 19 DT 20 20 DG 21 21 DG 22 22 DT 23 23 DG 24 24 DG 25 25 DT 26 26 DG 27 27 DT 28 28 DT 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 $DNA_(28-MER) . . . . . . 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 $DNA_(28-MER) '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_(28-MER) . mM 0.2 2 'natural abundance' $DNA_(28-MER) . mM 0.2 0.5 '[U-2% 15N]' $DNA_(28-MER) . mM 0.2 0.5 '[U-100% 2H]' H2O 90 % . . '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_(28-MER) . mM 0.2 2 'natural abundance' $DNA_(28-MER) . mM 0.2 1 '[U-4% 13C; U-4% 15N]' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement 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 'data analysis' 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' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_JR_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H JR 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-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_JR_HMBC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C JR HMBC' _Sample_label $sample_1 save_ save_15N-FILTERED_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-FILTERED _Sample_label $sample_1 save_ save_D-LABELED_8 _Saveframe_category NMR_applied_experiment _Experiment_name D-LABELED _Sample_label $sample_1 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' 90 . mM pH 7 . pH temperature 298 . K 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 0.00 internal direct . . . 1.000000000 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 JR NOESY' '2D 1H-1H NOESY' 15N-FILTERED D-LABELED stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA (28-MER)' _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 5.771 0.003 1 2 1 1 DT H2' H 1.835 0.105 1 3 1 1 DT H2'' H 2.197 0.002 1 4 1 1 DT H3' H 4.597 0.001 1 5 1 1 DT H4' H 3.802 0.001 1 6 1 1 DT H5' H 3.310 0.001 1 7 1 1 DT H5'' H 3.401 0.001 1 8 1 1 DT H6 H 7.213 0.002 1 9 1 1 DT H71 H 1.581 0.002 2 10 1 1 DT H72 H 1.581 0.002 2 11 1 1 DT H73 H 1.581 0.002 2 12 2 2 DG H1 H 11.462 0.001 1 13 2 2 DG H1' H 6.203 0.001 1 14 2 2 DG H2' H 3.444 0.001 1 15 2 2 DG H2'' H 2.842 0.016 1 16 2 2 DG H3' H 4.953 0.001 1 17 2 2 DG H4' H 4.497 0.001 1 18 2 2 DG H5' H 4.098 0.003 1 19 2 2 DG H5'' H 4.153 0.004 1 20 2 2 DG H8 H 7.680 0.001 1 21 3 3 DG H1 H 10.814 0.002 1 22 3 3 DG H1' H 6.271 0.001 1 23 3 3 DG H2' H 2.427 0.004 1 24 3 3 DG H2'' H 2.893 0.016 1 25 3 3 DG H3' H 5.337 0.001 1 26 3 3 DG H4' H 4.648 0.001 1 27 3 3 DG H5' H 4.270 0.001 2 28 3 3 DG H5'' H 4.270 0.001 2 29 3 3 DG H8 H 7.562 0.001 1 30 4 4 DT H1' H 6.635 0.006 1 31 4 4 DT H2' H 2.480 0.001 1 32 4 4 DT H2'' H 2.790 0.001 1 33 4 4 DT H3' H 5.175 0.000 1 34 4 4 DT H4' H 4.594 0.001 1 35 4 4 DT H5' H 4.271 0.001 2 36 4 4 DT H5'' H 4.271 0.001 2 37 4 4 DT H6 H 8.012 0.002 1 38 4 4 DT H71 H 2.092 0.002 2 39 4 4 DT H72 H 2.092 0.002 2 40 4 4 DT H73 H 2.092 0.002 2 41 5 5 DG H1 H 11.626 0.002 1 42 5 5 DG H1' H 5.856 0.003 1 43 5 5 DG H2' H 2.624 0.000 1 44 5 5 DG H2'' H 2.734 0.002 1 45 5 5 DG H3' H 5.190 0.001 1 46 5 5 DG H4' H 4.984 0.001 1 47 5 5 DG H5' H 4.329 0.001 2 48 5 5 DG H5'' H 4.329 0.001 2 49 5 5 DG H8 H 8.108 0.002 1 50 5 5 DG H21 H 9.189 0.002 1 51 5 5 DG H22 H 4.338 0.002 1 52 6 6 DG H1 H 10.701 0.005 1 53 6 6 DG H1' H 6.500 0.009 1 54 6 6 DG H2' H 2.646 0.002 2 55 6 6 DG H2'' H 2.646 0.002 2 56 6 6 DG H3' H 5.245 0.003 1 57 6 6 DG H4' H 4.889 0.001 1 58 6 6 DG H5' H 4.244 0.001 1 59 6 6 DG H5'' H 4.473 0.004 1 60 6 6 DG H8 H 7.778 0.002 1 61 7 7 DT H1' H 6.533 0.014 1 62 7 7 DT H2' H 2.456 0.002 1 63 7 7 DT H2'' H 2.610 0.000 1 64 7 7 DT H3' H 5.143 0.002 1 65 7 7 DT H4' H 4.934 0.000 1 66 7 7 DT H5' H 4.206 0.001 1 67 7 7 DT H5'' H 4.362 0.000 1 68 7 7 DT H6 H 7.996 0.004 1 69 7 7 DT H71 H 2.128 0.003 2 70 7 7 DT H72 H 2.128 0.003 2 71 7 7 DT H73 H 2.128 0.003 2 72 8 8 DG H1 H 11.690 0.001 1 73 8 8 DG H1' H 6.513 0.001 1 74 8 8 DG H3' H 5.144 0.000 1 75 8 8 DG H4' H 4.990 0.004 1 76 8 8 DG H8 H 7.810 0.005 1 77 8 8 DG H21 H 9.433 0.003 1 78 8 8 DG H22 H 4.548 0.000 1 79 9 9 DG H1 H 10.886 0.001 1 80 9 9 DG H1' H 5.904 0.002 1 81 9 9 DG H2' H 2.633 0.000 1 82 9 9 DG H2'' H 2.703 0.000 1 83 9 9 DG H3' H 5.106 0.002 1 84 9 9 DG H4' H 5.050 0.002 1 85 9 9 DG H8 H 7.820 0.005 1 86 10 10 DT H1' H 6.541 0.006 1 87 10 10 DT H2' H 2.623 0.002 2 88 10 10 DT H2'' H 2.623 0.002 2 89 10 10 DT H3' H 5.257 0.000 1 90 10 10 DT H4' H 4.879 0.020 1 91 10 10 DT H5' H 4.262 0.000 1 92 10 10 DT H5'' H 4.361 0.000 1 93 10 10 DT H6 H 7.996 0.008 1 94 10 10 DT H71 H 2.134 0.009 2 95 10 10 DT H72 H 2.134 0.009 2 96 10 10 DT H73 H 2.134 0.009 2 97 11 11 DG H1 H 11.412 0.001 1 98 11 11 DG H1' H 6.022 0.002 1 99 11 11 DG H2' H 2.636 0.001 2 100 11 11 DG H2'' H 2.636 0.001 2 101 11 11 DG H3' H 5.112 0.000 1 102 11 11 DG H4' H 5.064 0.001 1 103 11 11 DG H5' H 4.208 0.001 2 104 11 11 DG H5'' H 4.208 0.001 2 105 11 11 DG H8 H 7.821 0.004 1 106 12 12 DG H1 H 10.849 0.001 1 107 12 12 DG H1' H 6.591 0.001 1 108 12 12 DG H2' H 2.254 0.002 1 109 12 12 DG H2'' H 2.637 0.003 1 110 12 12 DG H3' H 5.285 0.001 1 111 12 12 DG H4' H 4.761 0.001 1 112 12 12 DG H5' H 4.119 0.001 1 113 12 12 DG H5'' H 4.367 0.002 1 114 12 12 DG H8 H 7.701 0.004 1 115 13 13 DT H1' H 6.549 0.002 1 116 13 13 DT H2' H 2.601 0.001 2 117 13 13 DT H2'' H 2.601 0.001 2 118 13 13 DT H3' H 5.114 0.002 1 119 13 13 DT H4' H 4.671 0.001 1 120 13 13 DT H5' H 4.406 0.003 2 121 13 13 DT H5'' H 4.406 0.003 2 122 13 13 DT H6 H 8.014 0.003 1 123 13 13 DT H71 H 2.075 0.013 2 124 13 13 DT H72 H 2.075 0.013 2 125 13 13 DT H73 H 2.075 0.013 2 126 14 14 DT H1' H 6.535 0.004 1 127 14 14 DT H2' H 2.558 0.003 1 128 14 14 DT H2'' H 2.749 0.002 1 129 14 14 DT H3' H 5.016 0.001 1 130 14 14 DT H4' H 4.581 0.002 1 131 14 14 DT H5' H 4.255 0.002 1 132 14 14 DT H5'' H 4.329 0.002 1 133 14 14 DT H6 H 7.933 0.002 1 134 14 14 DT H71 H 2.001 0.001 2 135 14 14 DT H72 H 2.001 0.001 2 136 14 14 DT H73 H 2.001 0.001 2 137 15 15 DG H1 H 10.780 0.002 1 138 15 15 DG H1' H 6.381 0.060 1 139 15 15 DG H2' H 2.239 0.004 1 140 15 15 DG H2'' H 2.742 0.003 1 141 15 15 DG H3' H 5.090 0.003 1 142 15 15 DG H4' H 4.799 0.002 1 143 15 15 DG H5' H 4.116 0.002 1 144 15 15 DG H5'' H 4.236 0.001 1 145 15 15 DG H8 H 7.408 0.001 1 146 16 16 DT H1' H 6.547 0.004 1 147 16 16 DT H2' H 2.579 0.000 2 148 16 16 DT H2'' H 2.579 0.000 2 149 16 16 DT H3' H 5.140 0.001 1 150 16 16 DT H4' H 4.980 0.001 1 151 16 16 DT H5' H 4.240 0.000 1 152 16 16 DT H5'' H 4.319 0.000 1 153 16 16 DT H6 H 8.062 0.002 1 154 16 16 DT H71 H 2.107 0.002 2 155 16 16 DT H72 H 2.107 0.002 2 156 16 16 DT H73 H 2.107 0.002 2 157 17 17 DG H1 H 11.645 0.002 1 158 17 17 DG H1' H 5.877 0.002 1 159 17 17 DG H2' H 2.619 0.002 1 160 17 17 DG H2'' H 2.720 0.002 1 161 17 17 DG H3' H 5.169 0.001 1 162 17 17 DG H4' H 5.058 0.000 1 163 17 17 DG H5' H 4.221 0.000 1 164 17 17 DG H5'' H 4.286 0.000 1 165 17 17 DG H8 H 7.845 0.003 1 166 17 17 DG H21 H 9.333 0.005 1 167 17 17 DG H22 H 4.426 0.002 1 168 18 18 DG H1 H 10.611 0.002 1 169 18 18 DG H1' H 6.463 0.002 1 170 18 18 DG H2' H 2.157 0.003 1 171 18 18 DG H2'' H 2.606 0.000 1 172 18 18 DG H3' H 5.235 0.002 1 173 18 18 DG H4' H 4.931 0.003 1 174 18 18 DG H5' H 4.464 0.001 2 175 18 18 DG H5'' H 4.464 0.001 2 176 18 18 DG H8 H 7.875 0.005 1 177 19 19 DT H1' H 6.520 0.025 1 178 19 19 DT H2' H 2.606 0.005 2 179 19 19 DT H2'' H 2.606 0.005 2 180 19 19 DT H6 H 7.984 0.000 1 181 19 19 DT H71 H 2.126 0.006 2 182 19 19 DT H72 H 2.126 0.006 2 183 19 19 DT H73 H 2.126 0.006 2 184 20 20 DG H1 H 11.606 0.001 1 185 20 20 DG H1' H 6.509 0.001 1 186 20 20 DG H2' H 2.436 0.000 1 187 20 20 DG H2'' H 2.601 0.000 1 188 20 20 DG H3' H 5.135 0.001 1 189 20 20 DG H4' H 4.803 0.002 1 190 20 20 DG H8 H 7.786 0.006 1 191 20 20 DG H21 H 9.346 0.001 1 192 20 20 DG H22 H 4.758 0.002 1 193 21 21 DG H1 H 10.943 0.003 1 194 21 21 DG H1' H 5.846 0.004 1 195 21 21 DG H3' H 5.232 0.003 1 196 21 21 DG H4' H 4.816 0.001 1 197 21 21 DG H8 H 7.816 0.004 1 198 22 22 DT H1' H 6.501 0.000 1 199 22 22 DT H2' H 2.601 0.000 2 200 22 22 DT H2'' H 2.601 0.000 2 201 22 22 DT H3' H 5.129 0.000 1 202 22 22 DT H6 H 7.984 0.005 1 203 22 22 DT H71 H 2.115 0.007 2 204 22 22 DT H72 H 2.115 0.007 2 205 22 22 DT H73 H 2.115 0.007 2 206 23 23 DG H1 H 11.612 0.000 1 207 23 23 DG H1' H 5.828 0.002 1 208 23 23 DG H2' H 2.544 0.001 2 209 23 23 DG H2'' H 2.544 0.001 2 210 23 23 DG H3' H 5.074 0.001 1 211 23 23 DG H4' H 5.000 0.001 1 212 23 23 DG H5' H 4.195 0.002 1 213 23 23 DG H5'' H 4.267 0.001 1 214 23 23 DG H8 H 7.788 0.005 1 215 23 23 DG H21 H 4.644 0.000 1 216 23 23 DG H22 H 9.495 0.002 1 217 24 24 DG H1 H 10.693 0.003 1 218 24 24 DG H1' H 6.369 0.015 1 219 24 24 DG H2' H 2.091 0.003 1 220 24 24 DG H2'' H 2.660 0.002 1 221 24 24 DG H3' H 5.176 0.001 1 222 24 24 DG H4' H 4.522 0.002 1 223 24 24 DG H5' H 4.133 0.002 1 224 24 24 DG H5'' H 3.881 0.001 1 225 24 24 DG H8 H 7.754 0.002 1 226 25 25 DT H1' H 6.441 0.002 1 227 25 25 DT H2' H 2.443 0.002 1 228 25 25 DT H2'' H 2.623 0.002 1 229 25 25 DT H3' H 5.124 0.006 1 230 25 25 DT H4' H 4.648 0.000 1 231 25 25 DT H5' H 4.270 0.000 1 232 25 25 DT H5'' H 4.366 0.000 1 233 25 25 DT H6 H 7.920 0.003 1 234 25 25 DT H71 H 2.084 0.003 2 235 25 25 DT H72 H 2.084 0.003 2 236 25 25 DT H73 H 2.084 0.003 2 237 26 26 DG H1 H 11.304 0.003 1 238 26 26 DG H1' H 6.154 0.054 1 239 26 26 DG H2' H 2.564 0.002 1 240 26 26 DG H2'' H 2.661 0.003 1 241 26 26 DG H3' H 5.040 0.001 1 242 26 26 DG H4' H 4.728 0.001 1 243 26 26 DG H5' H 4.277 0.000 1 244 26 26 DG H5'' H 4.349 0.000 1 245 26 26 DG H8 H 7.706 0.001 1 246 27 27 DT H1' H 6.084 0.001 1 247 27 27 DT H2' H 2.313 0.001 1 248 27 27 DT H2'' H 2.488 0.002 1 249 27 27 DT H3' H 4.790 0.001 1 250 27 27 DT H4' H 4.349 0.001 1 251 27 27 DT H5' H 4.124 0.004 1 252 27 27 DT H5'' H 4.232 0.003 1 253 27 27 DT H6 H 7.592 0.001 1 254 27 27 DT H71 H 1.700 0.002 2 255 27 27 DT H72 H 1.700 0.002 2 256 27 27 DT H73 H 1.700 0.002 2 257 28 28 DT H1' H 6.179 0.002 1 258 28 28 DT H2' H 2.221 0.005 2 259 28 28 DT H2'' H 2.221 0.005 2 260 28 28 DT H3' H 4.477 0.001 1 261 28 28 DT H4' H 4.060 0.001 1 262 28 28 DT H5' H 3.980 0.001 2 263 28 28 DT H5'' H 3.980 0.001 2 264 28 28 DT H6 H 7.563 0.001 1 265 28 28 DT H71 H 1.730 0.006 2 266 28 28 DT H72 H 1.730 0.006 2 267 28 28 DT H73 H 1.730 0.006 2 stop_ save_