data_11437 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DNA oligmer containing propylene cross-linked cyclic 2' -deoxyuridylate dimer ; _BMRB_accession_number 11437 _BMRB_flat_file_name bmr11437.str _Entry_type original _Submission_date 2011-03-24 _Accession_date 2011-03-24 _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 Furuita Kyoko . . 2 Murata Shunpei . . 3 Jee JunGoo . . 4 Ichikawa Satoshi . . 5 Matsuda Akira . . 6 Kojima Chojiro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural feature of bent DNA recognized by HMGB1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21443191 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Furuita Kyoko . . 2 Murata Shunpei . . 3 Jee 'Jun Goo' . . 4 Ichikawa Satoshi . . 5 Matsuda Akira . . 6 Kojima Chojiro . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 133 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5788 _Page_last 5790 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Propylene-DNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Propylene-DNA $Propylene-DNA 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_Propylene-DNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common Propylene-DNA _Molecular_mass 111.103 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; CCTTCAXTACATCCGGATGT AATGAAGG ; loop_ _Residue_seq_code _Residue_label 1 DC 2 DC 3 DT 4 DT 5 DC 6 DA 7 JDT 8 DT 9 DA 10 DC 11 DA 12 DT 13 DC 14 DC 15 DG 16 DG 17 DA 18 DT 19 DG 20 DT 21 DA 22 DA 23 DT 24 DG 25 DA 26 DA 27 DG 28 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_JDT _Saveframe_category polymer_residue _Mol_type 'DNA linking' _Name_common "2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)" _BMRB_code . _PDB_code JDT _Standard_residue_derivative . _Molecular_mass 336.235 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 25 09:34:09 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? C72 C72 C . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 O . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H2'' H2'' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H72A H72A H . 0 . ? H72B H72B H . 0 . ? H72C H72C H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING P O5' ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P OP3 ? ? SING N1 C2 ? ? SING N1 C6 ? ? SING N1 C1' ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? DOUB C4 O4 ? ? SING C4 C5 ? ? DOUB C5 C6 ? ? SING C5 C7 ? ? SING C7 C72 ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C2' C3' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C5' O5' ? ? SING N3 HN3 ? ? SING C6 H6 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C1' H1' ? ? SING C2' H2' ? ? SING C2' H2'' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' H4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C72 H72A ? ? SING C72 H72B ? ? SING C72 H72C ? ? SING OP2 HOP2 ? ? SING OP3 HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Propylene-DNA . . . . . . 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 $Propylene-DNA '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 _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $Propylene-DNA 0.5 mM 'natural abundance' 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 _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $Propylene-DNA 0.5 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' 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 processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_MARDIGRAS _Saveframe_category software _Name MARDIGRAS _Version . loop_ _Vendor _Address _Electronic_address 'Brandan A. Borgias, Paul D. Thomas, He Liu and Anil Kumar' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H 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_1 save_ save_2D_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 temperature 283 . K pH 6.8 . pH stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pH 6.8 . pH 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 external direct . . . 1 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' 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 Propylene-DNA _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 DC H1' H 5.950 0.002 1 2 1 1 DC H2' H 2.220 0.007 1 3 1 1 DC H2'' H 2.532 0.004 1 4 1 1 DC H3' H 4.637 0.003 1 5 1 1 DC H5 H 5.920 0.004 1 6 1 1 DC H6 H 7.778 0.004 1 7 1 1 DC H41 H 7.057 0.001 2 8 1 1 DC H42 H 7.756 0.004 2 9 2 2 DC H1' H 6.034 0.004 1 10 2 2 DC H2' H 2.190 0.006 1 11 2 2 DC H2'' H 2.507 0.006 1 12 2 2 DC H3' H 4.814 0.002 1 13 2 2 DC H5 H 5.611 0.002 1 14 2 2 DC H6 H 7.644 0.008 1 15 2 2 DC H41 H 7.042 0.001 2 16 2 2 DC H42 H 8.346 0.000 2 17 3 3 DT H1' H 6.066 0.007 1 18 3 3 DT H71 H 1.589 0.005 2 19 3 3 DT H72 H 1.589 0.005 2 20 3 3 DT H73 H 1.589 0.005 2 21 3 3 DT H2' H 2.173 0.005 1 22 3 3 DT H2'' H 2.582 0.007 1 23 3 3 DT H3 H 14.069 0.002 1 24 3 3 DT H3' H 4.850 0.003 1 25 3 3 DT H6 H 7.467 0.010 1 26 4 4 DT H1' H 5.991 0.007 1 27 4 4 DT H71 H 1.600 0.005 2 28 4 4 DT H72 H 1.600 0.005 2 29 4 4 DT H73 H 1.600 0.005 2 30 4 4 DT H2' H 2.104 0.006 1 31 4 4 DT H2'' H 2.479 0.008 1 32 4 4 DT H3 H 13.887 0.003 1 33 4 4 DT H3' H 4.833 0.001 1 34 4 4 DT H6 H 7.399 0.009 1 35 5 5 DC H1' H 5.402 0.004 1 36 5 5 DC H2' H 2.103 0.006 1 37 5 5 DC H2'' H 2.336 0.005 1 38 5 5 DC H3' H 4.792 0.006 1 39 5 5 DC H5 H 5.658 0.001 1 40 5 5 DC H6 H 7.522 0.006 1 41 5 5 DC H41 H 6.883 0.004 2 42 5 5 DC H42 H 8.450 0.002 2 43 6 6 DA H1' H 6.136 0.005 1 44 6 6 DA H2 H 7.474 0.004 1 45 6 6 DA H2' H 2.661 0.006 1 46 6 6 DA H2'' H 2.797 0.011 1 47 6 6 DA H3' H 4.890 0.003 1 48 6 6 DA H8 H 8.221 0.006 1 49 6 6 DA H61 H 6.324 0.003 2 50 6 6 DA H62 H 7.650 0.005 2 51 7 7 JDT H1' H 5.858 0.004 1 52 7 7 JDT H2' H 2.397 0.006 1 53 7 7 JDT H2'' H 2.527 0.005 1 54 7 7 JDT H72A H 1.481 0.001 2 55 7 7 JDT H72C H 2.401 0.004 2 56 7 7 JDT H3 H 13.317 0.004 1 57 7 7 JDT H3' H 4.733 0.005 1 58 7 7 JDT H6 H 7.124 0.008 1 59 7 7 JDT H71 H 1.901 0.003 2 60 7 7 JDT H72 H 1.973 0.002 2 61 8 8 DT H1' H 5.272 0.004 1 62 8 8 DT H2' H 1.900 0.006 1 63 8 8 DT H2'' H 2.239 0.004 1 64 8 8 DT H3 H 13.571 0.002 1 65 8 8 DT H3' H 4.562 0.004 1 66 8 8 DT H6 H 7.100 0.008 1 67 8 8 DT H71 H 1.975 0.002 2 68 8 8 DT H72 H 2.530 0.001 2 69 8 8 DT H73 H 2.530 0.001 2 70 9 9 DA H1' H 6.141 0.007 1 71 9 9 DA H2 H 7.185 0.002 1 72 9 9 DA H2' H 2.501 0.008 1 73 9 9 DA H2'' H 2.789 0.007 1 74 9 9 DA H8 H 8.146 0.005 1 75 9 9 DA H61 H 6.133 0.000 2 76 10 10 DC H1' H 5.486 0.003 1 77 10 10 DC H2' H 2.068 0.005 1 78 10 10 DC H2'' H 2.348 0.004 1 79 10 10 DC H3' H 4.789 0.005 1 80 10 10 DC H5 H 5.161 0.002 1 81 10 10 DC H6 H 7.238 0.006 1 82 10 10 DC H41 H 6.562 0.001 2 83 10 10 DC H42 H 8.090 0.005 2 84 11 11 DA H1' H 6.155 0.008 1 85 11 11 DA H2 H 7.485 0.002 1 86 11 11 DA H2' H 2.571 0.007 1 87 11 11 DA H2'' H 2.863 0.006 1 88 11 11 DA H8 H 8.148 0.006 1 89 11 11 DA H61 H 6.141 0.007 2 90 12 12 DT H1' H 5.911 0.007 1 91 12 12 DT H71 H 1.276 0.004 2 92 12 12 DT H72 H 1.276 0.004 2 93 12 12 DT H73 H 1.276 0.004 2 94 12 12 DT H2' H 2.048 0.007 1 95 12 12 DT H2'' H 2.442 0.008 1 96 12 12 DT H3 H 13.617 0.002 1 97 12 12 DT H3' H 4.817 0.004 1 98 12 12 DT H6 H 7.200 0.007 1 99 13 13 DC H1' H 5.985 0.003 1 100 13 13 DC H2' H 2.158 0.005 1 101 13 13 DC H2'' H 2.431 0.004 1 102 13 13 DC H3' H 4.780 0.006 1 103 13 13 DC H5 H 5.606 0.002 1 104 13 13 DC H6 H 7.536 0.004 1 105 13 13 DC H41 H 6.900 0.002 2 106 13 13 DC H42 H 8.377 0.003 2 107 14 14 DC H1' H 6.184 0.002 1 108 14 14 DC H2' H 2.211 0.003 1 109 14 14 DC H2'' H 2.212 0.003 1 110 14 14 DC H3' H 4.516 0.002 1 111 14 14 DC H5 H 5.716 0.012 1 112 14 14 DC H6 H 7.609 0.004 1 113 14 14 DC H41 H 7.131 0.002 2 114 14 14 DC H42 H 8.213 0.001 2 115 15 15 DG H1' H 5.603 0.007 1 116 15 15 DG H2' H 2.486 0.007 1 117 15 15 DG H2'' H 2.661 0.009 1 118 15 15 DG H3' H 4.774 0.004 1 119 15 15 DG H8 H 7.804 0.003 1 120 16 16 DG H1 H 12.759 0.002 1 121 16 16 DG H1' H 5.619 0.008 1 122 16 16 DG H2' H 2.665 0.003 1 123 16 16 DG H2'' H 2.763 0.004 1 124 16 16 DG H3' H 4.986 0.004 1 125 16 16 DG H8 H 7.800 0.004 1 126 17 17 DA H1' H 6.252 0.004 1 127 17 17 DA H2 H 7.807 0.003 1 128 17 17 DA H2' H 2.621 0.007 1 129 17 17 DA H2'' H 2.944 0.006 1 130 17 17 DA H3' H 5.004 0.004 1 131 17 17 DA H8 H 8.203 0.005 1 132 17 17 DA H61 H 5.945 0.000 2 133 17 17 DA H62 H 7.602 0.001 2 134 18 18 DT H1' H 5.737 0.004 1 135 18 18 DT H71 H 1.337 0.005 2 136 18 18 DT H72 H 1.337 0.005 2 137 18 18 DT H73 H 1.337 0.005 2 138 18 18 DT H2' H 2.071 0.006 1 139 18 18 DT H2'' H 2.443 0.005 1 140 18 18 DT H3 H 13.312 0.003 1 141 18 18 DT H3' H 4.856 0.005 1 142 18 18 DT H6 H 7.055 0.007 1 143 19 19 DG H1 H 12.283 0.001 1 144 19 19 DG H1' H 5.869 0.007 1 145 19 19 DG H2' H 2.521 0.004 1 146 19 19 DG H2'' H 2.702 0.006 1 147 19 19 DG H3' H 4.862 0.006 1 148 19 19 DG H8 H 7.721 0.007 1 149 20 20 DT H1' H 5.819 0.004 1 150 20 20 DT H71 H 1.352 0.005 2 151 20 20 DT H72 H 1.352 0.005 2 152 20 20 DT H73 H 1.352 0.005 2 153 20 20 DT H2' H 2.172 0.006 1 154 20 20 DT H2'' H 2.566 0.009 1 155 20 20 DT H3 H 13.297 0.004 1 156 20 20 DT H3' H 4.856 0.003 1 157 20 20 DT H6 H 7.219 0.009 1 158 21 21 DA H1' H 5.979 0.006 1 159 21 21 DA H2 H 6.226 0.004 1 160 21 21 DA H2' H 2.589 0.008 1 161 21 21 DA H2'' H 2.805 0.006 1 162 21 21 DA H3' H 4.974 0.005 1 163 21 21 DA H8 H 8.137 0.006 1 164 21 21 DA H61 H 6.314 0.012 2 165 21 21 DA H62 H 7.719 0.005 2 166 22 22 DA H1' H 6.034 0.007 1 167 22 22 DA H2 H 7.497 0.001 1 168 22 22 DA H2' H 2.358 0.005 1 169 22 22 DA H2'' H 2.703 0.006 1 170 22 22 DA H3' H 4.868 0.002 1 171 22 22 DA H8 H 7.806 0.006 1 172 22 22 DA H61 H 6.145 0.004 2 173 22 22 DA H62 H 7.221 0.002 2 174 23 23 DT H1' H 5.603 0.004 1 175 23 23 DT H71 H 1.188 0.005 2 176 23 23 DT H72 H 1.188 0.005 2 177 23 23 DT H73 H 1.188 0.005 2 178 23 23 DT H2' H 1.827 0.006 1 179 23 23 DT H2'' H 2.224 0.006 1 180 23 23 DT H3 H 13.340 0.005 1 181 23 23 DT H3' H 4.769 0.004 1 182 23 23 DT H6 H 6.963 0.007 1 183 24 24 DG H1 H 12.283 0.001 1 184 24 24 DG H1' H 5.315 0.007 1 185 24 24 DG H2' H 2.552 0.005 1 186 24 24 DG H2'' H 2.624 0.008 1 187 24 24 DG H8 H 7.753 0.005 1 188 25 25 DA H1' H 5.805 0.010 1 189 25 25 DA H2 H 7.214 0.001 1 190 25 25 DA H2' H 2.611 0.007 1 191 25 25 DA H2'' H 2.791 0.007 1 192 25 25 DA H3' H 5.004 0.003 1 193 25 25 DA H8 H 8.102 0.006 1 194 25 25 DA H61 H 5.798 0.000 2 195 26 26 DA H1' H 5.831 0.008 1 196 26 26 DA H2 H 7.551 0.001 1 197 26 26 DA H2' H 2.489 0.005 1 198 26 26 DA H2'' H 2.722 0.007 1 199 26 26 DA H3' H 4.970 0.005 1 200 26 26 DA H8 H 7.983 0.004 1 201 26 26 DA H61 H 5.936 0.004 2 202 26 26 DA H62 H 7.641 0.000 2 203 27 27 DG H1 H 12.885 0.001 1 204 27 27 DG H1' H 5.525 0.005 1 205 27 27 DG H2' H 2.418 0.008 1 206 27 27 DG H2'' H 2.577 0.007 1 207 27 27 DG H3' H 4.876 0.002 1 208 27 27 DG H8 H 7.534 0.005 1 209 28 28 DG H1' H 6.060 0.005 1 210 28 28 DG H2' H 2.362 0.006 1 211 28 28 DG H2'' H 2.271 0.004 1 212 28 28 DG H3' H 4.547 0.003 1 213 28 28 DG H8 H 7.614 0.005 1 stop_ save_