data_19280 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of d[AGGGTGGGTGCTGGGGCGCGAAGCATTCGCGAGG] duplex-quadruplex hybrid ; _BMRB_accession_number 19280 _BMRB_flat_file_name bmr19280.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" 263 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' 19281 'd[TTGGGTGGGCGCGAAGCATTCGCGGGGTGGGT] 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[AGGGTGGGTGCTGGGGCGCGAAGCATTCGCGAGG] duplex-quadruplex hybrid' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (34-MER)' $DNA_(34-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_(34-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(34-MER) _Molecular_mass 10702.922 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 34 _Mol_residue_sequence ; AGGGTGGGTGCTGGGGCGCG AAGCATTCGCGAGG ; loop_ _Residue_seq_code _Residue_label 1 DA 2 DG 3 DG 4 DG 5 DT 6 DG 7 DG 8 DG 9 DT 10 DG 11 DC 12 DT 13 DG 14 DG 15 DG 16 DG 17 DC 18 DG 19 DC 20 DG 21 DA 22 DA 23 DG 24 DC 25 DA 26 DT 27 DT 28 DC 29 DG 30 DC 31 DG 32 DA 33 DG 34 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 $DNA_(34-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_(34-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_(34-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_(34-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_(34-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_(34-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_JR_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H JR NOESY' _Sample_label $DNA-1 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $DNA-2 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $DNA-2 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $DNA-2 save_ save_2D_1H-13C_JR_HMBC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C JR HMBC' _Sample_label $DNA-1 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_15N-FILTERED_10 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-FILTERED _Sample_label $DNA-3 save_ save_D-LABELED_11 _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_ save_sample_conditions_2 _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 278 . 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 (34-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 DA H1' H 5.756 0.010 1 2 1 1 DA H2 H 7.736 0.010 1 3 1 1 DA H2' H 2.381 0.010 1 4 1 1 DA H2'' H 2.514 0.010 1 5 1 1 DA H3' H 4.821 0.010 1 6 1 1 DA H4' H 4.183 0.010 1 7 1 1 DA H5' H 3.652 0.010 2 8 1 1 DA H5'' H 3.652 0.010 2 9 1 1 DA H8 H 7.674 0.010 1 10 2 2 DG H1 H 11.586 0.010 1 11 2 2 DG H1' H 6.129 0.010 1 12 2 2 DG H2' H 2.801 0.010 1 13 2 2 DG H2'' H 3.072 0.010 1 14 2 2 DG H3' H 5.064 0.010 1 15 2 2 DG H4' H 4.468 0.010 1 16 2 2 DG H8 H 8.013 0.010 1 17 3 3 DG H1 H 11.445 0.010 1 18 3 3 DG H1' H 6.226 0.010 1 19 3 3 DG H2' H 2.545 0.010 1 20 3 3 DG H2'' H 2.978 0.010 1 21 3 3 DG H3' H 4.958 0.010 1 22 3 3 DG H4' H 4.593 0.010 1 23 3 3 DG H8 H 7.584 0.010 1 24 4 4 DG H1 H 11.337 0.010 1 25 4 4 DG H1' H 6.495 0.010 1 26 4 4 DG H2' H 2.704 0.010 1 27 4 4 DG H2'' H 2.760 0.010 1 28 4 4 DG H3' H 5.158 0.010 1 29 4 4 DG H4' H 4.690 0.010 1 30 4 4 DG H8 H 7.875 0.010 1 31 5 5 DT H1' H 6.554 0.010 1 32 5 5 DT H2' H 2.513 0.010 1 33 5 5 DT H2'' H 2.707 0.010 1 34 5 5 DT H3' H 5.186 0.010 1 35 5 5 DT H4' H 4.611 0.010 1 36 5 5 DT H6 H 7.886 0.010 1 37 5 5 DT H71 H 2.014 0.010 2 38 5 5 DT H72 H 2.014 0.010 2 39 5 5 DT H73 H 2.014 0.010 2 40 6 6 DG H1 H 11.923 0.010 1 41 6 6 DG H1' H 6.222 0.010 1 42 6 6 DG H2' H 2.555 0.010 1 43 6 6 DG H2'' H 3.090 0.010 1 44 6 6 DG H3' H 5.196 0.010 1 45 6 6 DG H4' H 4.484 0.010 1 46 6 6 DG H8 H 8.131 0.010 1 47 7 7 DG H1 H 11.283 0.010 1 48 7 7 DG H1' H 6.227 0.010 1 49 7 7 DG H2' H 2.637 0.010 1 50 7 7 DG H2'' H 3.007 0.010 1 51 7 7 DG H3' H 5.130 0.010 1 52 7 7 DG H4' H 4.556 0.010 1 53 7 7 DG H8 H 7.948 0.010 1 54 8 8 DG H1 H 11.431 0.010 1 55 8 8 DG H1' H 6.543 0.010 1 56 8 8 DG H2' H 2.612 0.010 1 57 8 8 DG H2'' H 2.728 0.010 1 58 8 8 DG H3' H 5.108 0.010 1 59 8 8 DG H4' H 4.706 0.010 1 60 8 8 DG H8 H 7.807 0.010 1 61 9 9 DT H1' H 6.539 0.010 1 62 9 9 DT H2' H 2.468 0.010 1 63 9 9 DT H2'' H 2.677 0.010 1 64 9 9 DT H3' H 5.173 0.010 1 65 9 9 DT H4' H 4.651 0.010 1 66 9 9 DT H6 H 7.923 0.010 1 67 9 9 DT H71 H 2.011 0.010 2 68 9 9 DT H72 H 2.011 0.010 2 69 9 9 DT H73 H 2.011 0.010 2 70 10 10 DG H1 H 11.638 0.010 1 71 10 10 DG H1' H 6.286 0.010 1 72 10 10 DG H2' H 2.721 0.010 1 73 10 10 DG H2'' H 2.953 0.010 1 74 10 10 DG H3' H 5.110 0.010 1 75 10 10 DG H4' H 4.741 0.010 1 76 10 10 DG H8 H 8.172 0.010 1 77 11 11 DC H1' H 6.424 0.010 1 78 11 11 DC H2' H 2.303 0.010 1 79 11 11 DC H2'' H 2.707 0.010 1 80 11 11 DC H3' H 4.823 0.010 1 81 11 11 DC H4' H 4.465 0.010 1 82 11 11 DC H5 H 6.077 0.010 1 83 11 11 DC H6 H 8.067 0.010 1 84 12 12 DT H1' H 5.806 0.010 1 85 12 12 DT H2' H 2.139 0.010 1 86 12 12 DT H2'' H 2.453 0.010 1 87 12 12 DT H3' H 4.890 0.010 1 88 12 12 DT H4' H 4.304 0.010 1 89 12 12 DT H6 H 7.522 0.010 1 90 12 12 DT H71 H 1.102 0.010 2 91 12 12 DT H72 H 1.102 0.010 2 92 12 12 DT H73 H 1.102 0.010 2 93 13 13 DG H1 H 11.194 0.010 1 94 13 13 DG H1' H 5.990 0.010 1 95 13 13 DG H2' H 2.667 0.010 1 96 13 13 DG H2'' H 2.847 0.010 1 97 13 13 DG H3' H 4.973 0.010 1 98 13 13 DG H4' H 4.407 0.010 1 99 13 13 DG H8 H 8.009 0.010 1 100 14 14 DG H1 H 11.337 0.010 1 101 14 14 DG H1' H 5.893 0.010 1 102 14 14 DG H2' H 2.522 0.010 1 103 14 14 DG H2'' H 2.585 0.010 1 104 14 14 DG H3' H 4.955 0.010 1 105 14 14 DG H4' H 4.464 0.010 1 106 14 14 DG H8 H 7.663 0.010 1 107 15 15 DG H1 H 11.041 0.010 1 108 15 15 DG H1' H 6.162 0.010 1 109 15 15 DG H2' H 2.309 0.010 1 110 15 15 DG H2'' H 2.975 0.010 1 111 15 15 DG H3' H 4.928 0.010 1 112 15 15 DG H4' H 4.505 0.010 1 113 15 15 DG H8 H 7.341 0.010 1 114 16 16 DG H1 H 12.548 0.010 1 115 16 16 DG H1' H 5.353 0.010 1 116 16 16 DG H2' H 2.098 0.010 1 117 16 16 DG H2'' H 2.507 0.010 1 118 16 16 DG H3' H 4.681 0.010 1 119 16 16 DG H4' H 4.435 0.010 1 120 16 16 DG H8 H 7.853 0.010 1 121 17 17 DC H1' H 5.443 0.010 1 122 17 17 DC H2' H 1.530 0.010 1 123 17 17 DC H2'' H 2.087 0.010 1 124 17 17 DC H3' H 4.446 0.010 1 125 17 17 DC H4' H 2.435 0.010 1 126 17 17 DC H5 H 4.788 0.010 1 127 17 17 DC H5' H 3.712 0.010 2 128 17 17 DC H5'' H 3.627 0.010 2 129 17 17 DC H6 H 6.945 0.010 1 130 17 17 DC H41 H 8.201 0.010 1 131 17 17 DC H42 H 6.128 0.010 1 132 18 18 DG H1 H 12.735 0.010 1 133 18 18 DG H1' H 5.651 0.010 1 134 18 18 DG H2' H 2.496 0.010 1 135 18 18 DG H2'' H 2.594 0.010 1 136 18 18 DG H3' H 4.862 0.010 1 137 18 18 DG H4' H 4.170 0.010 1 138 18 18 DG H8 H 7.728 0.010 1 139 19 19 DC H1' H 5.459 0.010 1 140 19 19 DC H2' H 1.752 0.010 1 141 19 19 DC H2'' H 2.198 0.010 1 142 19 19 DC H3' H 4.711 0.010 1 143 19 19 DC H4' H 4.010 0.010 1 144 19 19 DC H5 H 5.229 0.010 1 145 19 19 DC H6 H 7.112 0.010 1 146 19 19 DC H41 H 8.211 0.010 1 147 19 19 DC H42 H 6.285 0.010 1 148 20 20 DG H1 H 12.697 0.010 1 149 20 20 DG H1' H 5.361 0.010 1 150 20 20 DG H2' H 2.575 0.010 1 151 20 20 DG H2'' H 2.666 0.010 1 152 20 20 DG H3' H 4.920 0.010 1 153 20 20 DG H4' H 4.224 0.010 1 154 20 20 DG H8 H 7.791 0.010 1 155 21 21 DA H1' H 5.881 0.010 1 156 21 21 DA H2 H 7.560 0.010 1 157 21 21 DA H2' H 2.292 0.010 1 158 21 21 DA H2'' H 2.607 0.010 1 159 21 21 DA H3' H 4.949 0.010 1 160 21 21 DA H4' H 4.284 0.010 1 161 21 21 DA H8 H 7.883 0.010 1 162 22 22 DA H1' H 5.874 0.010 1 163 22 22 DA H2 H 7.688 0.010 1 164 22 22 DA H2' H 2.058 0.010 1 165 22 22 DA H2'' H 2.422 0.010 1 166 22 22 DA H3' H 4.879 0.010 1 167 22 22 DA H4' H 4.348 0.010 1 168 22 22 DA H8 H 7.444 0.010 1 169 23 23 DG H1' H 5.378 0.010 1 170 23 23 DG H2' H 2.631 0.010 1 171 23 23 DG H2'' H 2.343 0.010 1 172 23 23 DG H3' H 4.810 0.010 1 173 23 23 DG H4' H 4.372 0.010 1 174 23 23 DG H8 H 8.037 0.010 1 175 24 24 DC H1' H 5.698 0.010 1 176 24 24 DC H2' H 1.593 0.010 1 177 24 24 DC H2'' H 2.042 0.010 1 178 24 24 DC H3' H 4.411 0.010 1 179 24 24 DC H4' H 2.101 0.010 1 180 24 24 DC H5 H 5.211 0.010 1 181 24 24 DC H6 H 7.195 0.010 1 182 25 25 DA H1' H 6.310 0.010 1 183 25 25 DA H2 H 8.026 0.010 1 184 25 25 DA H2' H 2.987 0.010 1 185 25 25 DA H2'' H 2.938 0.010 1 186 25 25 DA H3' H 4.811 0.010 1 187 25 25 DA H4' H 4.333 0.010 1 188 25 25 DA H5' H 3.972 0.010 2 189 25 25 DA H5'' H 3.829 0.010 2 190 25 25 DA H8 H 8.078 0.010 1 191 26 26 DT H1' H 5.668 0.010 1 192 26 26 DT H2' H 2.096 0.010 1 193 26 26 DT H2'' H 2.493 0.010 1 194 26 26 DT H3 H 13.285 0.010 1 195 26 26 DT H3' H 4.738 0.010 1 196 26 26 DT H4' H 4.286 0.010 1 197 26 26 DT H6 H 7.393 0.010 1 198 26 26 DT H71 H 1.814 0.010 2 199 26 26 DT H72 H 1.814 0.010 2 200 26 26 DT H73 H 1.814 0.010 2 201 27 27 DT H1' H 6.045 0.010 1 202 27 27 DT H2' H 2.180 0.010 1 203 27 27 DT H2'' H 2.478 0.010 1 204 27 27 DT H3 H 13.862 0.010 1 205 27 27 DT H3' H 4.863 0.010 1 206 27 27 DT H4' H 4.222 0.010 1 207 27 27 DT H6 H 7.405 0.010 1 208 27 27 DT H71 H 1.594 0.010 2 209 27 27 DT H72 H 1.594 0.010 2 210 27 27 DT H73 H 1.594 0.010 2 211 28 28 DC H1' H 5.593 0.010 1 212 28 28 DC H2' H 2.052 0.010 1 213 28 28 DC H2'' H 2.362 0.010 1 214 28 28 DC H3' H 4.827 0.010 1 215 28 28 DC H4' H 4.128 0.010 1 216 28 28 DC H5 H 5.630 0.010 1 217 28 28 DC H6 H 7.466 0.010 1 218 28 28 DC H41 H 8.466 0.010 1 219 28 28 DC H42 H 6.852 0.010 1 220 29 29 DG H1 H 12.742 0.010 1 221 29 29 DG H1' H 5.758 0.010 1 222 29 29 DG H2' H 2.577 0.010 1 223 29 29 DG H2'' H 2.633 0.010 1 224 29 29 DG H3' H 4.933 0.010 1 225 29 29 DG H4' H 4.303 0.010 1 226 29 29 DG H8 H 7.836 0.010 1 227 30 30 DC H1' H 5.562 0.010 1 228 30 30 DC H2' H 1.858 0.010 1 229 30 30 DC H2'' H 2.222 0.010 1 230 30 30 DC H3' H 4.770 0.010 1 231 30 30 DC H4' H 4.061 0.010 1 232 30 30 DC H5 H 5.276 0.010 1 233 30 30 DC H6 H 7.221 0.010 1 234 30 30 DC H41 H 8.104 0.010 1 235 30 30 DC H42 H 6.275 0.010 1 236 31 31 DG H1 H 12.663 0.010 1 237 31 31 DG H1' H 5.490 0.010 1 238 31 31 DG H2' H 2.387 0.010 1 239 31 31 DG H2'' H 2.644 0.010 1 240 31 31 DG H3' H 4.961 0.010 1 241 31 31 DG H4' H 4.174 0.010 1 242 31 31 DG H8 H 7.639 0.010 1 243 32 32 DA H1' H 6.110 0.010 1 244 32 32 DA H2 H 7.588 0.010 1 245 32 32 DA H2' H 2.890 0.010 1 246 32 32 DA H2'' H 2.270 0.010 1 247 32 32 DA H3' H 5.177 0.010 1 248 32 32 DA H4' H 4.317 0.010 1 249 32 32 DA H8 H 8.247 0.010 1 250 33 33 DG H1 H 11.256 0.010 1 251 33 33 DG H1' H 5.889 0.010 1 252 33 33 DG H2' H 2.667 0.010 2 253 33 33 DG H2'' H 2.667 0.010 2 254 33 33 DG H3' H 4.885 0.010 1 255 33 33 DG H4' H 4.437 0.010 1 256 33 33 DG H8 H 7.697 0.010 1 257 34 34 DG H1 H 10.951 0.010 1 258 34 34 DG H1' H 6.122 0.010 1 259 34 34 DG H2' H 2.260 0.010 1 260 34 34 DG H2'' H 2.482 0.010 1 261 34 34 DG H3' H 4.659 0.010 1 262 34 34 DG H4' H 4.317 0.010 1 263 34 34 DG H8 H 6.599 0.010 1 stop_ save_