data_19279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of d[GGGAAGGGCGCGAAGCATTCGCGAGGTAGG] duplex-quadruplex hybrid ; _BMRB_accession_number 19279 _BMRB_flat_file_name bmr19279.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" 245 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' 19280 'd[AGGGTGGGTGCTGGGGCGCGAAGCATTCGCGAGG] 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[GGGAAGGGCGCGAAGCATTCGCGAGGTAGG] duplex-quadruplex hybrid' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (30-MER)' $DNA_(30-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_(30-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(30-MER) _Molecular_mass 9444.141 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; GGGAAGGGCGCGAAGCATTC GCGAGGTAGG ; loop_ _Residue_seq_code _Residue_label 1 DG 2 DG 3 DG 4 DA 5 DA 6 DG 7 DG 8 DG 9 DC 10 DG 11 DC 12 DG 13 DA 14 DA 15 DG 16 DC 17 DA 18 DT 19 DT 20 DC 21 DG 22 DC 23 DG 24 DA 25 DG 26 DG 27 DT 28 DA 29 DG 30 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_(30-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_(30-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_(30-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_(30-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_(30-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_(30-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_2D_1H-31P_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P HSQC' _Sample_label $DNA-2 save_ save_H-D_EXCHANGE_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'H-D EXCHANGE' _Sample_label $DNA-2 save_ save_15N-FILTERED_10 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-FILTERED _Sample_label $DNA-3 save_ save_15N-FILTERED_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-FILTERED _Sample_label $DNA-3 save_ save_D-LABELED_12 _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 (30-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 DG H1 H 11.870 0.010 1 2 1 1 DG H1' H 5.966 0.010 1 3 1 1 DG H2' H 2.702 0.010 1 4 1 1 DG H2'' H 2.866 0.010 1 5 1 1 DG H3' H 4.946 0.010 1 6 1 1 DG H4' H 4.336 0.010 1 7 1 1 DG H5' H 3.950 0.010 2 8 1 1 DG H5'' H 3.879 0.010 2 9 1 1 DG H8 H 7.311 0.010 1 10 2 2 DG H1 H 11.830 0.010 1 11 2 2 DG H1' H 5.796 0.010 1 12 2 2 DG H2' H 2.175 0.010 1 13 2 2 DG H2'' H 2.371 0.010 1 14 2 2 DG H3' H 4.999 0.010 1 15 2 2 DG H4' H 4.380 0.010 1 16 2 2 DG H5' H 4.179 0.010 2 17 2 2 DG H5'' H 4.179 0.010 2 18 2 2 DG H8 H 7.627 0.010 1 19 3 3 DG H1 H 11.983 0.010 1 20 3 3 DG H1' H 5.554 0.010 1 21 3 3 DG H2' H 2.758 0.010 1 22 3 3 DG H2'' H 2.633 0.010 1 23 3 3 DG H3' H 4.984 0.010 1 24 3 3 DG H4' H 4.606 0.010 1 25 3 3 DG H5' H 4.272 0.010 2 26 3 3 DG H5'' H 4.177 0.010 2 27 3 3 DG H8 H 8.043 0.010 1 28 4 4 DA H1' H 5.771 0.010 1 29 4 4 DA H2 H 7.108 0.010 1 30 4 4 DA H2' H 2.094 0.010 1 31 4 4 DA H2'' H 2.181 0.010 1 32 4 4 DA H3' H 4.515 0.010 1 33 4 4 DA H4' H 2.249 0.010 1 34 4 4 DA H5' H 3.359 0.010 1 35 4 4 DA H5'' H 3.436 0.010 1 36 4 4 DA H8 H 7.909 0.010 1 37 5 5 DA H1' H 6.155 0.010 1 38 5 5 DA H2 H 8.056 0.010 1 39 5 5 DA H2' H 2.636 0.010 1 40 5 5 DA H2'' H 3.026 0.010 1 41 5 5 DA H3' H 4.761 0.010 1 42 5 5 DA H4' H 4.363 0.010 1 43 5 5 DA H5' H 3.874 0.010 2 44 5 5 DA H5'' H 3.598 0.010 2 45 5 5 DA H8 H 8.060 0.010 1 46 6 6 DG H1 H 11.580 0.010 1 47 6 6 DG H1' H 5.753 0.010 1 48 6 6 DG H2' H 2.899 0.010 1 49 6 6 DG H2'' H 2.607 0.010 1 50 6 6 DG H3' H 4.809 0.010 1 51 6 6 DG H4' H 4.420 0.010 1 52 6 6 DG H8 H 6.759 0.010 1 53 7 7 DG H1 H 11.796 0.010 1 54 7 7 DG H1' H 5.794 0.010 1 55 7 7 DG H2' H 2.375 0.010 1 56 7 7 DG H2'' H 2.698 0.010 1 57 7 7 DG H3' H 4.971 0.010 1 58 7 7 DG H4' H 4.385 0.010 1 59 7 7 DG H8 H 7.624 0.010 1 60 8 8 DG H1 H 13.042 0.010 1 61 8 8 DG H1' H 5.585 0.010 1 62 8 8 DG H2' H 2.361 0.010 1 63 8 8 DG H2'' H 2.614 0.010 1 64 8 8 DG H3' H 4.825 0.010 1 65 8 8 DG H4' H 4.357 0.010 1 66 8 8 DG H8 H 7.810 0.010 1 67 9 9 DC H1' H 5.401 0.010 1 68 9 9 DC H2' H 1.492 0.010 1 69 9 9 DC H2'' H 2.030 0.010 1 70 9 9 DC H3' H 4.524 0.010 1 71 9 9 DC H4' H 3.304 0.010 1 72 9 9 DC H5 H 5.112 0.010 1 73 9 9 DC H5' H 3.857 0.010 2 74 9 9 DC H5'' H 3.728 0.010 2 75 9 9 DC H6 H 6.967 0.010 1 76 9 9 DC H41 H 8.156 0.010 1 77 9 9 DC H42 H 6.322 0.010 1 78 10 10 DG H1 H 12.713 0.010 1 79 10 10 DG H1' H 5.726 0.010 1 80 10 10 DG H2' H 2.491 0.010 1 81 10 10 DG H2'' H 2.628 0.010 1 82 10 10 DG H3' H 4.837 0.010 1 83 10 10 DG H4' H 4.201 0.010 1 84 10 10 DG H5' H 3.929 0.010 2 85 10 10 DG H5'' H 3.781 0.010 2 86 10 10 DG H8 H 7.776 0.010 1 87 11 11 DC H1' H 5.481 0.010 1 88 11 11 DC H2' H 1.758 0.010 1 89 11 11 DC H2'' H 2.208 0.010 1 90 11 11 DC H3' H 4.720 0.010 1 91 11 11 DC H4' H 4.003 0.010 1 92 11 11 DC H5 H 5.222 0.010 1 93 11 11 DC H6 H 7.108 0.010 1 94 11 11 DC H41 H 8.263 0.010 1 95 11 11 DC H42 H 6.327 0.010 1 96 12 12 DG H1 H 12.713 0.010 1 97 12 12 DG H1' H 5.377 0.010 1 98 12 12 DG H2' H 2.581 0.010 1 99 12 12 DG H2'' H 2.675 0.010 1 100 12 12 DG H3' H 4.927 0.010 1 101 12 12 DG H4' H 4.235 0.010 1 102 12 12 DG H8 H 7.797 0.010 1 103 13 13 DA H1' H 5.894 0.010 1 104 13 13 DA H2 H 7.574 0.010 1 105 13 13 DA H2' H 2.298 0.010 1 106 13 13 DA H2'' H 2.617 0.010 1 107 13 13 DA H3' H 4.959 0.010 1 108 13 13 DA H4' H 4.297 0.010 1 109 13 13 DA H8 H 7.892 0.010 1 110 14 14 DA H1' H 5.887 0.010 1 111 14 14 DA H2 H 7.701 0.010 1 112 14 14 DA H2' H 2.060 0.010 1 113 14 14 DA H2'' H 2.427 0.010 1 114 14 14 DA H3' H 4.887 0.010 1 115 14 14 DA H4' H 4.357 0.010 1 116 14 14 DA H8 H 7.447 0.010 1 117 15 15 DG H1' H 5.383 0.010 1 118 15 15 DG H2' H 2.637 0.010 1 119 15 15 DG H2'' H 2.347 0.010 1 120 15 15 DG H3' H 4.815 0.010 1 121 15 15 DG H4' H 4.380 0.010 1 122 15 15 DG H8 H 8.046 0.010 1 123 16 16 DC H1' H 5.697 0.010 1 124 16 16 DC H2' H 1.590 0.010 1 125 16 16 DC H2'' H 2.038 0.010 1 126 16 16 DC H3' H 4.410 0.010 1 127 16 16 DC H4' H 2.084 0.010 1 128 16 16 DC H5 H 5.202 0.010 1 129 16 16 DC H5' H 3.042 0.010 1 130 16 16 DC H5'' H 3.354 0.010 1 131 16 16 DC H6 H 7.189 0.010 1 132 17 17 DA H1' H 6.317 0.010 1 133 17 17 DA H2 H 8.034 0.010 1 134 17 17 DA H2' H 2.996 0.010 1 135 17 17 DA H2'' H 2.948 0.010 1 136 17 17 DA H3' H 4.812 0.010 1 137 17 17 DA H4' H 4.334 0.010 1 138 17 17 DA H5' H 3.975 0.010 2 139 17 17 DA H5'' H 3.833 0.010 2 140 17 17 DA H8 H 8.082 0.010 1 141 18 18 DT H1' H 5.673 0.010 1 142 18 18 DT H2' H 2.102 0.010 1 143 18 18 DT H2'' H 2.502 0.010 1 144 18 18 DT H3 H 13.296 0.010 1 145 18 18 DT H3' H 4.746 0.010 1 146 18 18 DT H4' H 4.294 0.010 1 147 18 18 DT H5' H 4.337 0.010 2 148 18 18 DT H5'' H 4.088 0.010 2 149 18 18 DT H6 H 7.399 0.010 1 150 18 18 DT H71 H 1.816 0.010 2 151 18 18 DT H72 H 1.816 0.010 2 152 18 18 DT H73 H 1.816 0.010 2 153 19 19 DT H1' H 6.064 0.010 1 154 19 19 DT H2' H 2.200 0.010 1 155 19 19 DT H2'' H 2.499 0.010 1 156 19 19 DT H3 H 13.877 0.010 1 157 19 19 DT H3' H 4.880 0.010 1 158 19 19 DT H4' H 4.233 0.010 1 159 19 19 DT H6 H 7.420 0.010 1 160 19 19 DT H71 H 1.605 0.010 2 161 19 19 DT H72 H 1.605 0.010 2 162 19 19 DT H73 H 1.605 0.010 2 163 20 20 DC H1' H 5.613 0.010 1 164 20 20 DC H2' H 2.087 0.010 1 165 20 20 DC H2'' H 2.402 0.010 1 166 20 20 DC H3' H 4.852 0.010 1 167 20 20 DC H4' H 4.148 0.010 1 168 20 20 DC H5 H 5.661 0.010 1 169 20 20 DC H6 H 7.500 0.010 1 170 20 20 DC H41 H 8.493 0.010 1 171 20 20 DC H42 H 6.880 0.010 1 172 21 21 DG H1 H 12.786 0.010 1 173 21 21 DG H1' H 5.806 0.010 1 174 21 21 DG H2' H 2.612 0.010 1 175 21 21 DG H2'' H 2.683 0.010 1 176 21 21 DG H3' H 4.962 0.010 1 177 21 21 DG H4' H 4.334 0.010 1 178 21 21 DG H8 H 7.882 0.010 1 179 22 22 DC H1' H 5.649 0.010 1 180 22 22 DC H2' H 1.934 0.010 1 181 22 22 DC H2'' H 2.354 0.010 1 182 22 22 DC H3' H 4.819 0.010 1 183 22 22 DC H4' H 4.112 0.010 1 184 22 22 DC H5 H 5.287 0.010 1 185 22 22 DC H6 H 7.241 0.010 1 186 22 22 DC H41 H 8.170 0.010 1 187 22 22 DC H42 H 6.308 0.010 1 188 23 23 DG H1 H 12.873 0.010 1 189 23 23 DG H1' H 5.517 0.010 1 190 23 23 DG H2' H 2.573 0.010 1 191 23 23 DG H2'' H 2.676 0.010 1 192 23 23 DG H3' H 4.965 0.010 1 193 23 23 DG H4' H 4.237 0.010 1 194 23 23 DG H8 H 7.807 0.010 1 195 24 24 DA H1' H 6.247 0.010 1 196 24 24 DA H2 H 7.801 0.010 1 197 24 24 DA H2' H 2.707 0.010 2 198 24 24 DA H2'' H 2.707 0.010 2 199 24 24 DA H3' H 5.076 0.010 1 200 24 24 DA H4' H 4.410 0.010 1 201 24 24 DA H8 H 8.096 0.010 1 202 25 25 DG H1 H 11.718 0.010 1 203 25 25 DG H1' H 5.966 0.010 1 204 25 25 DG H2' H 3.544 0.010 1 205 25 25 DG H2'' H 2.879 0.010 1 206 25 25 DG H3' H 5.069 0.010 1 207 25 25 DG H4' H 4.344 0.010 1 208 25 25 DG H8 H 7.390 0.010 1 209 26 26 DG H1 H 11.902 0.010 1 210 26 26 DG H1' H 6.128 0.010 1 211 26 26 DG H2' H 2.937 0.010 1 212 26 26 DG H2'' H 2.877 0.010 1 213 26 26 DG H3' H 5.131 0.010 1 214 26 26 DG H4' H 4.391 0.010 1 215 26 26 DG H8 H 7.491 0.010 1 216 27 27 DT H1' H 6.207 0.010 1 217 27 27 DT H2' H 2.408 0.010 1 218 27 27 DT H2'' H 2.471 0.010 1 219 27 27 DT H3' H 5.119 0.010 1 220 27 27 DT H4' H 4.465 0.010 1 221 27 27 DT H6 H 7.918 0.010 1 222 27 27 DT H71 H 2.034 0.010 2 223 27 27 DT H72 H 2.034 0.010 2 224 27 27 DT H73 H 2.034 0.010 2 225 28 28 DA H1' H 6.363 0.010 1 226 28 28 DA H2 H 8.079 0.010 1 227 28 28 DA H2' H 2.795 0.010 1 228 28 28 DA H2'' H 2.947 0.010 1 229 28 28 DA H3' H 5.083 0.010 1 230 28 28 DA H4' H 4.464 0.010 1 231 28 28 DA H8 H 8.231 0.010 1 232 29 29 DG H1 H 11.436 0.010 1 233 29 29 DG H1' H 5.975 0.010 1 234 29 29 DG H2' H 3.435 0.010 1 235 29 29 DG H2'' H 2.857 0.010 1 236 29 29 DG H3' H 4.954 0.010 1 237 29 29 DG H4' H 4.404 0.010 1 238 29 29 DG H8 H 7.410 0.010 1 239 30 30 DG H1 H 11.784 0.010 1 240 30 30 DG H1' H 5.925 0.010 1 241 30 30 DG H2' H 2.439 0.010 1 242 30 30 DG H2'' H 2.401 0.010 1 243 30 30 DG H3' H 4.702 0.010 1 244 30 30 DG H4' H 4.116 0.010 1 245 30 30 DG H8 H 6.998 0.010 1 stop_ save_