data_19281 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of d[TTGGGTGGGCGCGAAGCATTCGCGGGGTGGGT] duplex-quadruplex hybrid ; _BMRB_accession_number 19281 _BMRB_flat_file_name bmr19281.str _Entry_type original _Submission_date 2013-05-30 _Accession_date 2013-05-30 _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 Lim 'Kah Wai' . . 2 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" 260 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-09 update BMRB 'update entry citation' 2013-07-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19276 'd[CGCGAAGCATTCGCG] hairpin' 19277 'd[GGTTGGCGCGAAGCATTCGCGGGTTGG] duplex-quadruplex hybrid' 19278 'd[GCGCGAAGCATTCGCGGGGAGGTGGGGAAGGG] duplex-quadruplex hybrid' 19279 'd[GGGAAGGGCGCGAAGCATTCGCGAGGTAGG] duplex-quadruplex hybrid' 19280 'd[AGGGTGGGTGCTGGGGCGCGAAGCATTCGCGAGG] duplex-quadruplex hybrid' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of DNA quadruplex-duplex junction formation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23794476 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim 'Kah Wai' . . 2 Phan 'Anh Tuan' . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_name_full 'Angewandte Chemie (International ed. in English)' _Journal_volume 52 _Journal_issue 33 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8566 _Page_last 8569 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'd[TTGGGTGGGCGCGAAGCATTCGCGGGGTGGGT] duplex-quadruplex hybrid' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (32-MER)' $DNA_(32-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_(32-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(32-MER) _Molecular_mass 10066.503 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; TTGGGTGGGCGCGAAGCATT CGCGGGGTGGGT ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DT 3 DG 4 DG 5 DG 6 DT 7 DG 8 DG 9 DG 10 DC 11 DG 12 DC 13 DG 14 DA 15 DA 16 DG 17 DC 18 DA 19 DT 20 DT 21 DC 22 DG 23 DC 24 DG 25 DG 26 DG 27 DG 28 DT 29 DG 30 DG 31 DG 32 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_(32-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_(32-MER) 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DNA-1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_(32-MER) 0.5-2.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_DNA-2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_(32-MER) 0.5-2.0 mM 'natural abundance' stop_ save_ save_DNA-3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_(32-MER) 0.5-2.0 mM '[U-2% 15N]' stop_ save_ save_DNA-4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_(32-MER) 0.5-2.0 mM '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Felix NMR, Inc.' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.29 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 Avance _Field_strength 400 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $DNA-2 save_ save_2D_1H-1H_JR_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H JR NOESY' _Sample_label $DNA-1 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $DNA-2 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $DNA-2 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $DNA-2 save_ save_2D_1H-13C_JR_HMBC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C JR HMBC' _Sample_label $DNA-1 save_ save_2D_1H-31P_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P HSQC' _Sample_label $DNA-2 save_ save_H-D_EXCHANGE_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H-D EXCHANGE' _Sample_label $DNA-2 save_ save_15N-FILTERED_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-FILTERED _Sample_label $DNA-3 save_ save_D-LABELED_10 _Saveframe_category NMR_applied_experiment _Experiment_name D-LABELED _Sample_label $DNA-4 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' 40 . mM pH 7 . pH pressure 1 . atm 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 NOESY' '2D 1H-1H JR NOESY' 15N-FILTERED D-LABELED stop_ loop_ _Sample_label $DNA-2 $DNA-1 $DNA-3 $DNA-4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA (32-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 5.906 0.010 1 2 1 1 DT H2' H 1.974 0.010 1 3 1 1 DT H2'' H 2.293 0.010 1 4 1 1 DT H3' H 4.599 0.010 1 5 1 1 DT H4' H 3.951 0.010 1 6 1 1 DT H5' H 3.595 0.010 2 7 1 1 DT H5'' H 3.595 0.010 2 8 1 1 DT H6 H 7.387 0.010 1 9 1 1 DT H71 H 1.561 0.010 2 10 1 1 DT H72 H 1.561 0.010 2 11 1 1 DT H73 H 1.561 0.010 2 12 2 2 DT H1' H 5.732 0.010 1 13 2 2 DT H2' H 2.157 0.010 1 14 2 2 DT H2'' H 2.403 0.010 1 15 2 2 DT H3' H 4.739 0.010 1 16 2 2 DT H4' H 4.054 0.010 1 17 2 2 DT H5' H 3.821 0.010 2 18 2 2 DT H5'' H 3.718 0.010 2 19 2 2 DT H6 H 7.384 0.010 1 20 2 2 DT H71 H 1.395 0.010 2 21 2 2 DT H72 H 1.395 0.010 2 22 2 2 DT H73 H 1.395 0.010 2 23 3 3 DG H1 H 12.021 0.010 1 24 3 3 DG H1' H 6.149 0.010 1 25 3 3 DG H2' H 2.852 0.010 1 26 3 3 DG H2'' H 3.081 0.010 1 27 3 3 DG H3' H 5.014 0.010 1 28 3 3 DG H4' H 4.453 0.010 1 29 3 3 DG H8 H 8.160 0.010 1 30 4 4 DG H1 H 11.302 0.010 1 31 4 4 DG H1' H 6.194 0.010 1 32 4 4 DG H2' H 2.692 0.010 1 33 4 4 DG H2'' H 2.955 0.010 1 34 4 4 DG H3' H 5.016 0.010 1 35 4 4 DG H4' H 4.562 0.010 1 36 4 4 DG H8 H 7.775 0.010 1 37 5 5 DG H1 H 11.149 0.010 1 38 5 5 DG H1' H 6.433 0.010 1 39 5 5 DG H2' H 2.658 0.010 1 40 5 5 DG H2'' H 2.550 0.010 1 41 5 5 DG H3' H 5.105 0.010 1 42 5 5 DG H4' H 4.635 0.010 1 43 5 5 DG H8 H 7.753 0.010 1 44 6 6 DT H1' H 6.532 0.010 1 45 6 6 DT H2' H 2.465 0.010 1 46 6 6 DT H2'' H 2.676 0.010 1 47 6 6 DT H3' H 5.127 0.010 1 48 6 6 DT H4' H 4.620 0.010 1 49 6 6 DT H6 H 7.862 0.010 1 50 6 6 DT H71 H 1.981 0.010 2 51 6 6 DT H72 H 1.981 0.010 2 52 6 6 DT H73 H 1.981 0.010 2 53 7 7 DG H1 H 11.434 0.010 1 54 7 7 DG H1' H 6.128 0.010 1 55 7 7 DG H2' H 2.445 0.010 1 56 7 7 DG H2'' H 2.881 0.010 1 57 7 7 DG H3' H 5.121 0.010 1 58 7 7 DG H4' H 4.457 0.010 1 59 7 7 DG H8 H 8.011 0.010 1 60 8 8 DG H1 H 11.479 0.010 1 61 8 8 DG H1' H 6.032 0.010 1 62 8 8 DG H2' H 2.667 0.010 1 63 8 8 DG H2'' H 2.774 0.010 1 64 8 8 DG H3' H 5.039 0.010 1 65 8 8 DG H4' H 4.506 0.010 1 66 8 8 DG H8 H 7.964 0.010 1 67 9 9 DG H1 H 11.264 0.010 1 68 9 9 DG H1' H 6.277 0.010 1 69 9 9 DG H2' H 2.518 0.010 2 70 9 9 DG H2'' H 2.518 0.010 2 71 9 9 DG H3' H 4.875 0.010 1 72 9 9 DG H4' H 4.329 0.010 1 73 9 9 DG H8 H 7.753 0.010 1 74 10 10 DC H1' H 5.754 0.010 1 75 10 10 DC H2' H 2.038 0.010 1 76 10 10 DC H2'' H 2.269 0.010 1 77 10 10 DC H3' H 4.656 0.010 1 78 10 10 DC H4' H 4.228 0.010 1 79 10 10 DC H5 H 5.880 0.010 1 80 10 10 DC H5' H 4.046 0.010 2 81 10 10 DC H5'' H 3.925 0.010 2 82 10 10 DC H6 H 7.433 0.010 1 83 11 11 DG H1 H 13.154 0.010 1 84 11 11 DG H1' H 5.874 0.010 1 85 11 11 DG H2' H 2.761 0.010 2 86 11 11 DG H2'' H 2.761 0.010 2 87 11 11 DG H3' H 4.962 0.010 1 88 11 11 DG H4' H 4.409 0.010 1 89 11 11 DG H8 H 8.061 0.010 1 90 12 12 DC H1' H 5.743 0.010 1 91 12 12 DC H2' H 2.017 0.010 1 92 12 12 DC H2'' H 2.407 0.010 1 93 12 12 DC H3' H 4.866 0.010 1 94 12 12 DC H4' H 4.234 0.010 1 95 12 12 DC H5 H 5.466 0.010 1 96 12 12 DC H6 H 7.421 0.010 1 97 12 12 DC H41 H 8.424 0.010 1 98 12 12 DC H42 H 6.536 0.010 1 99 13 13 DG H1 H 12.877 0.010 1 100 13 13 DG H1' H 5.517 0.010 1 101 13 13 DG H2' H 2.675 0.010 1 102 13 13 DG H2'' H 2.769 0.010 1 103 13 13 DG H3' H 5.015 0.010 1 104 13 13 DG H4' H 4.340 0.010 1 105 13 13 DG H8 H 7.914 0.010 1 106 14 14 DA H1' H 5.950 0.010 1 107 14 14 DA H2 H 7.647 0.010 1 108 14 14 DA H2' H 2.353 0.010 1 109 14 14 DA H2'' H 2.659 0.010 1 110 14 14 DA H3' H 5.004 0.010 1 111 14 14 DA H4' H 4.353 0.010 1 112 14 14 DA H8 H 7.955 0.010 1 113 15 15 DA H1' H 5.916 0.010 1 114 15 15 DA H2 H 7.740 0.010 1 115 15 15 DA H2' H 2.095 0.010 1 116 15 15 DA H2'' H 2.453 0.010 1 117 15 15 DA H3' H 4.910 0.010 1 118 15 15 DA H4' H 4.390 0.010 1 119 15 15 DA H8 H 7.490 0.010 1 120 16 16 DG H1' H 5.406 0.010 1 121 16 16 DG H2' H 2.653 0.010 1 122 16 16 DG H2'' H 2.365 0.010 1 123 16 16 DG H3' H 4.832 0.010 1 124 16 16 DG H4' H 4.402 0.010 1 125 16 16 DG H8 H 8.067 0.010 1 126 17 17 DC H1' H 5.722 0.010 1 127 17 17 DC H2' H 1.608 0.010 1 128 17 17 DC H2'' H 2.057 0.010 1 129 17 17 DC H3' H 4.430 0.010 1 130 17 17 DC H4' H 2.114 0.010 1 131 17 17 DC H5 H 5.226 0.010 1 132 17 17 DC H5' H 3.375 0.010 2 133 17 17 DC H5'' H 3.066 0.010 2 134 17 17 DC H6 H 7.216 0.010 1 135 18 18 DA H1' H 6.336 0.010 1 136 18 18 DA H2 H 8.059 0.010 1 137 18 18 DA H2' H 3.022 0.010 1 138 18 18 DA H2'' H 2.964 0.010 1 139 18 18 DA H3' H 4.831 0.010 1 140 18 18 DA H4' H 4.350 0.010 1 141 18 18 DA H5' H 3.992 0.010 2 142 18 18 DA H5'' H 3.852 0.010 2 143 18 18 DA H8 H 8.106 0.010 1 144 19 19 DT H1' H 5.715 0.010 1 145 19 19 DT H2' H 2.144 0.010 1 146 19 19 DT H2'' H 2.532 0.010 1 147 19 19 DT H3 H 13.351 0.010 1 148 19 19 DT H3' H 4.780 0.010 1 149 19 19 DT H4' H 4.313 0.010 1 150 19 19 DT H5' H 4.352 0.010 2 151 19 19 DT H5'' H 4.112 0.010 2 152 19 19 DT H6 H 7.436 0.010 1 153 19 19 DT H71 H 1.855 0.010 2 154 19 19 DT H72 H 1.855 0.010 2 155 19 19 DT H73 H 1.855 0.010 2 156 20 20 DT H1' H 6.113 0.010 1 157 20 20 DT H2' H 2.268 0.010 1 158 20 20 DT H2'' H 2.559 0.010 1 159 20 20 DT H3 H 13.957 0.010 1 160 20 20 DT H3' H 4.916 0.010 1 161 20 20 DT H4' H 4.273 0.010 1 162 20 20 DT H6 H 7.482 0.010 1 163 20 20 DT H71 H 1.667 0.010 2 164 20 20 DT H72 H 1.667 0.010 2 165 20 20 DT H73 H 1.667 0.010 2 166 21 21 DC H1' H 5.744 0.010 1 167 21 21 DC H2' H 2.159 0.010 1 168 21 21 DC H2'' H 2.470 0.010 1 169 21 21 DC H3' H 4.897 0.010 1 170 21 21 DC H4' H 4.201 0.010 1 171 21 21 DC H5 H 5.749 0.010 1 172 21 21 DC H6 H 7.573 0.010 1 173 21 21 DC H41 H 8.595 0.010 1 174 21 21 DC H42 H 6.967 0.010 1 175 22 22 DG H1 H 13.045 0.010 1 176 22 22 DG H1' H 5.943 0.010 1 177 22 22 DG H2' H 2.602 0.010 1 178 22 22 DG H2'' H 2.732 0.010 1 179 22 22 DG H3' H 4.998 0.010 1 180 22 22 DG H4' H 4.353 0.010 1 181 22 22 DG H8 H 7.939 0.010 1 182 23 23 DC H1' H 6.141 0.010 1 183 23 23 DC H2' H 2.128 0.010 1 184 23 23 DC H2'' H 2.365 0.010 1 185 23 23 DC H3' H 4.844 0.010 1 186 23 23 DC H4' H 4.166 0.010 1 187 23 23 DC H5 H 5.538 0.010 1 188 23 23 DC H6 H 7.422 0.010 1 189 23 23 DC H41 H 8.512 0.010 1 190 23 23 DC H42 H 6.883 0.010 1 191 24 24 DG H1' H 5.770 0.010 1 192 24 24 DG H2' H 2.650 0.010 1 193 24 24 DG H2'' H 2.601 0.010 1 194 24 24 DG H3' H 4.863 0.010 1 195 24 24 DG H4' H 4.233 0.010 1 196 24 24 DG H8 H 7.774 0.010 1 197 25 25 DG H1 H 11.890 0.010 1 198 25 25 DG H1' H 6.109 0.010 1 199 25 25 DG H2' H 2.688 0.010 1 200 25 25 DG H2'' H 2.960 0.010 1 201 25 25 DG H3' H 4.882 0.010 1 202 25 25 DG H4' H 4.357 0.010 1 203 25 25 DG H5' H 3.955 0.010 2 204 25 25 DG H5'' H 3.906 0.010 2 205 25 25 DG H8 H 8.024 0.010 1 206 26 26 DG H1 H 11.302 0.010 1 207 26 26 DG H1' H 6.171 0.010 1 208 26 26 DG H2' H 2.666 0.010 1 209 26 26 DG H2'' H 2.916 0.010 1 210 26 26 DG H3' H 5.014 0.010 1 211 26 26 DG H4' H 4.535 0.010 1 212 26 26 DG H8 H 7.761 0.010 1 213 27 27 DG H1 H 11.022 0.010 1 214 27 27 DG H1' H 6.434 0.010 1 215 27 27 DG H2' H 2.659 0.010 1 216 27 27 DG H2'' H 2.550 0.010 1 217 27 27 DG H3' H 5.105 0.010 1 218 27 27 DG H4' H 4.634 0.010 1 219 27 27 DG H8 H 7.753 0.010 1 220 28 28 DT H1' H 6.533 0.010 1 221 28 28 DT H2' H 2.465 0.010 1 222 28 28 DT H2'' H 2.676 0.010 1 223 28 28 DT H3' H 5.127 0.010 1 224 28 28 DT H4' H 4.619 0.010 1 225 28 28 DT H6 H 7.862 0.010 1 226 28 28 DT H71 H 1.982 0.010 2 227 28 28 DT H72 H 1.982 0.010 2 228 28 28 DT H73 H 1.982 0.010 2 229 29 29 DG H1 H 11.666 0.010 1 230 29 29 DG H1' H 6.137 0.010 1 231 29 29 DG H2' H 2.413 0.010 1 232 29 29 DG H2'' H 2.881 0.010 1 233 29 29 DG H3' H 5.157 0.010 1 234 29 29 DG H4' H 4.456 0.010 1 235 29 29 DG H8 H 8.017 0.010 1 236 30 30 DG H1 H 11.531 0.010 1 237 30 30 DG H1' H 6.039 0.010 1 238 30 30 DG H2' H 2.711 0.010 2 239 30 30 DG H2'' H 2.711 0.010 2 240 30 30 DG H3' H 5.076 0.010 1 241 30 30 DG H4' H 4.441 0.010 1 242 30 30 DG H8 H 7.993 0.010 1 243 31 31 DG H1 H 11.241 0.010 1 244 31 31 DG H1' H 6.241 0.010 1 245 31 31 DG H2' H 2.598 0.010 1 246 31 31 DG H2'' H 2.797 0.010 1 247 31 31 DG H3' H 4.898 0.010 1 248 31 31 DG H4' H 4.534 0.010 1 249 31 31 DG H8 H 7.692 0.010 1 250 32 32 DT H1' H 5.910 0.010 1 251 32 32 DT H2' H 2.067 0.010 2 252 32 32 DT H2'' H 2.067 0.010 2 253 32 32 DT H3' H 4.424 0.010 1 254 32 32 DT H4' H 3.963 0.010 1 255 32 32 DT H5' H 4.235 0.010 1 256 32 32 DT H5'' H 4.065 0.010 1 257 32 32 DT H6 H 7.141 0.010 1 258 32 32 DT H71 H 1.484 0.010 2 259 32 32 DT H72 H 1.484 0.010 2 260 32 32 DT H73 H 1.484 0.010 2 stop_ save_