data_18279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human CEB25 minisatellite G-quadruplex ; _BMRB_accession_number 18279 _BMRB_flat_file_name bmr18279.str _Entry_type original _Submission_date 2012-02-20 _Accession_date 2012-02-20 _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 Amrane Samir . . 2 Adrian Michael . . 3 Heddi Brahim . . 4 Serero Alexandre . . 5 Nicolas Alain . . 6 Mergny Jean-Louis . . 7 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" 233 "13C chemical shifts" 56 "31P chemical shifts" 25 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 update BMRB 'update entry citation' 2012-03-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Formation of pearl-necklace monomorphic G-quadruplexes in the human CEB25 minisatellite.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22376028 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amrane Samir . . 2 Adrian Michael . . 3 Heddi Brahim . . 4 Serero Alexandre . . 5 Nicolas Alain . . 6 Mergny Jean-Louis . . 7 Phan 'Anh Tuan' . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 134 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5807 _Page_last 5816 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human CEB25 minisatellite G-quadruplex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (26-MER)' $DNA_(26-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_(26-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(26-MER) _Molecular_mass 8275.375 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; AAGGGTGGGTGTAAGTGTGG GTGGGT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DA 2 2 DA 3 3 DG 4 4 DG 5 5 DG 6 6 DT 7 7 DG 8 8 DG 9 9 DG 10 10 DT 11 11 DG 12 12 DT 13 13 DA 14 14 DA 15 15 DG 16 16 DT 17 17 DG 18 18 DT 19 19 DG 20 20 DG 21 21 DG 22 22 DT 23 23 DG 24 24 DG 25 25 DG 26 26 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_(26-MER) Humans 9606 Eukaryota Metazoa Homo sapiens 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_(26-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_(26-MER) . mM 0.2 2 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.30 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . Goddard . . 'Accelrys Software Inc.' . . stop_ loop_ _Task 'structure solution' 'data analysis' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 400 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _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_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H 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_1 save_ save_2D_1H-31P-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P-HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C-HMBC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C-HMBC' _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 temperature 298 . K pH 7.00 . pH pressure 1 . atm 'ionic strength' 90 . mM 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA (26-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 5.620 0.01 . 2 1 1 DA H2 H 7.733 0.01 . 3 1 1 DA H2' H 1.603 0.01 . 4 1 1 DA H2'' H 1.961 0.01 . 5 1 1 DA H3' H 4.470 0.01 . 6 1 1 DA H4' H 3.983 0.01 . 7 1 1 DA H5' H 3.442 0.01 . 8 1 1 DA H5'' H 3.444 0.01 . 9 1 1 DA H8 H 7.733 0.01 . 10 1 1 DA C1' C 91.903 0.01 . 11 1 1 DA C2 C 158.438 0.01 . 12 1 1 DA C8 C 142.366 0.01 . 13 2 2 DA H1' H 5.362 0.01 . 14 2 2 DA H2 H 7.820 0.01 . 15 2 2 DA H2' H 2.679 0.01 . 16 2 2 DA H2'' H 2.620 0.01 . 17 2 2 DA H3' H 4.880 0.01 . 18 2 2 DA H4' H 4.167 0.01 . 19 2 2 DA H5' H 3.844 0.01 . 20 2 2 DA H5'' H 3.937 0.01 . 21 2 2 DA H8 H 7.966 0.01 . 22 2 2 DA C1' C 86.663 0.01 . 23 2 2 DA C2 C 158.360 0.01 . 24 2 2 DA C8 C 139.996 0.01 . 25 2 2 DA P P -0.389 0.02 . 26 3 3 DG H1 H 11.754 0.01 . 27 3 3 DG H1' H 6.220 0.01 . 28 3 3 DG H2' H 2.946 0.01 . 29 3 3 DG H2'' H 3.137 0.01 . 30 3 3 DG H3' H 5.092 0.01 . 31 3 3 DG H4' H 4.504 0.01 . 32 3 3 DG H5' H 4.054 0.01 . 33 3 3 DG H5'' H 4.128 0.01 . 34 3 3 DG H8 H 8.098 0.01 . 35 3 3 DG C1' C 83.484 0.01 . 36 3 3 DG C8 C 136.935 0.01 . 37 3 3 DG P P 0.827 0.02 . 38 4 4 DG H1 H 11.266 0.01 . 39 4 4 DG H1' H 6.162 0.01 . 40 4 4 DG H2' H 2.636 0.01 . 41 4 4 DG H2'' H 2.943 0.01 . 42 4 4 DG H3' H 5.013 0.01 . 43 4 4 DG H4' H 4.557 0.01 . 44 4 4 DG H5' H 4.322 0.01 . 45 4 4 DG H8 H 7.683 0.01 . 46 4 4 DG C1' C 91.068 0.01 . 47 4 4 DG C8 C 135.307 0.01 . 48 4 4 DG P P -0.669 0.02 . 49 5 5 DG H1 H 11.126 0.01 . 50 5 5 DG H1' H 6.424 0.01 . 51 5 5 DG H2' H 2.654 0.01 . 52 5 5 DG H2'' H 2.552 0.01 . 53 5 5 DG H3' H 5.105 0.01 . 54 5 5 DG H4' H 4.640 0.01 . 55 5 5 DG H5' H 4.419 0.01 . 56 5 5 DG H5'' H 4.306 0.01 . 57 5 5 DG H8 H 7.703 0.01 . 58 5 5 DG C1' C 86.044 0.01 . 59 5 5 DG C8 C 136.469 0.01 . 60 5 5 DG P P -1.109 0.02 . 61 6 6 DT H1' H 6.546 0.01 . 62 6 6 DT H2' H 2.470 0.01 . 63 6 6 DT H2'' H 2.685 0.01 . 64 6 6 DT H3' H 5.137 0.01 . 65 6 6 DT H4' H 4.629 0.01 . 66 6 6 DT H6 H 7.861 0.01 . 67 6 6 DT H71 H 1.980 0.01 . 68 6 6 DT H72 H 1.980 0.01 . 69 6 6 DT H73 H 1.980 0.01 . 70 6 6 DT C1' C 92.218 0.01 . 71 6 6 DT C6 C 138.940 0.01 . 72 6 6 DT P P -2.069 0.02 . 73 7 7 DG H1 H 11.706 0.01 . 74 7 7 DG H1' H 6.151 0.01 . 75 7 7 DG H2' H 2.406 0.01 . 76 7 7 DG H2'' H 2.911 0.01 . 77 7 7 DG H3' H 5.172 0.01 . 78 7 7 DG H4' H 4.479 0.01 . 79 7 7 DG H5' H 4.279 0.01 . 80 7 7 DG H5'' H 4.357 0.01 . 81 7 7 DG H8 H 8.039 0.01 . 82 7 7 DG C1' C 90.856 0.01 . 83 7 7 DG C8 C 136.049 0.01 . 84 7 7 DG P P 0.159 0.02 . 85 8 8 DG H1 H 11.598 0.01 . 86 8 8 DG H1' H 6.033 0.01 . 87 8 8 DG H2' H 2.541 0.01 . 88 8 8 DG H2'' H 2.716 0.01 . 89 8 8 DG H3' H 5.065 0.01 . 90 8 8 DG H4' H 4.394 0.01 . 91 8 8 DG H8 H 7.973 0.01 . 92 8 8 DG C1' C 82.519 0.01 . 93 8 8 DG C8 C 136.934 0.01 . 94 8 8 DG P P 0.037 0.02 . 95 9 9 DG H1 H 11.329 0.01 . 96 9 9 DG H1' H 6.316 0.01 . 97 9 9 DG H2' H 1.776 0.01 . 98 9 9 DG H2'' H 2.532 0.01 . 99 9 9 DG H3' H 4.865 0.01 . 100 9 9 DG H4' H 4.431 0.01 . 101 9 9 DG H5' H 4.199 0.01 . 102 9 9 DG H5'' H 4.196 0.01 . 103 9 9 DG H8 H 7.748 0.01 . 104 9 9 DG C1' C 85.850 0.01 . 105 9 9 DG C8 C 136.241 0.01 . 106 9 9 DG P P -0.476 0.02 . 107 10 10 DT H1' H 6.094 0.01 . 108 10 10 DT H2' H 1.989 0.01 . 109 10 10 DT H2'' H 2.292 0.01 . 110 10 10 DT H3' H 4.734 0.01 . 111 10 10 DT H4' H 4.063 0.01 . 112 10 10 DT H5' H 3.832 0.01 . 113 10 10 DT H5'' H 3.920 0.01 . 114 10 10 DT H6 H 7.383 0.01 . 115 10 10 DT H71 H 1.776 0.01 . 116 10 10 DT H72 H 1.776 0.01 . 117 10 10 DT H73 H 1.776 0.01 . 118 10 10 DT C1' C 91.306 0.01 . 119 10 10 DT C6 C 138.280 0.01 . 120 10 10 DT P P -0.538 0.02 . 121 11 11 DG H1' H 6.090 0.01 . 122 11 11 DG H2' H 2.812 0.01 . 123 11 11 DG H2'' H 2.638 0.01 . 124 11 11 DG H3' H 4.944 0.01 . 125 11 11 DG H4' H 4.365 0.01 . 126 11 11 DG H8 H 7.971 0.01 . 127 11 11 DG C1' C 88.318 0.01 . 128 11 11 DG C8 C 139.249 0.01 . 129 11 11 DG P P -0.476 0.02 . 130 12 12 DT H1' H 5.883 0.01 . 131 12 12 DT H2' H 1.694 0.01 . 132 12 12 DT H2'' H 2.061 0.01 . 133 12 12 DT H3' H 4.694 0.01 . 134 12 12 DT H4' H 3.888 0.01 . 135 12 12 DT H5' H 3.841 0.01 . 136 12 12 DT H5'' H 3.889 0.01 . 137 12 12 DT H6 H 7.198 0.01 . 138 12 12 DT H71 H 1.684 0.01 . 139 12 12 DT H72 H 1.684 0.01 . 140 12 12 DT H73 H 1.684 0.01 . 141 12 12 DT C1' C 88.762 0.01 . 142 12 12 DT C6 C 137.791 0.01 . 143 12 12 DT P P -0.538 0.02 . 144 13 13 DA H1' H 5.874 0.01 . 145 13 13 DA H2 H 7.924 0.01 . 146 13 13 DA H2' H 2.533 0.01 . 147 13 13 DA H2'' H 2.619 0.01 . 148 13 13 DA H3' H 4.885 0.01 . 149 13 13 DA H4' H 4.240 0.01 . 150 13 13 DA H5' H 3.889 0.01 . 151 13 13 DA H5'' H 3.960 0.01 . 152 13 13 DA H8 H 8.096 0.01 . 153 13 13 DA C1' C 87.134 0.01 . 154 13 13 DA C2 C 159.328 0.01 . 155 13 13 DA C8 C 141.670 0.01 . 156 13 13 DA P P -0.669 0.02 . 157 14 14 DA H1' H 5.893 0.01 . 158 14 14 DA H2 H 7.797 0.01 . 159 14 14 DA H2' H 2.494 0.01 . 160 14 14 DA H2'' H 2.617 0.01 . 161 14 14 DA H3' H 4.941 0.01 . 162 14 14 DA H4' H 4.348 0.01 . 163 14 14 DA H5' H 4.100 0.01 . 164 14 14 DA H8 H 8.085 0.01 . 165 14 14 DA C1' C 85.006 0.01 . 166 14 14 DA C2 C 158.950 0.01 . 167 14 14 DA C8 C 141.099 0.01 . 168 14 14 DA P P -0.771 0.02 . 169 15 15 DG H1' H 5.807 0.01 . 170 15 15 DG H2' H 2.569 0.01 . 171 15 15 DG H2'' H 2.530 0.01 . 172 15 15 DG H3' H 4.895 0.01 . 173 15 15 DG H4' H 4.336 0.01 . 174 15 15 DG H5' H 4.114 0.01 . 175 15 15 DG H5'' H 4.181 0.01 . 176 15 15 DG H8 H 7.826 0.01 . 177 15 15 DG C1' C 85.083 0.01 . 178 15 15 DG C8 C 137.721 0.01 . 179 15 15 DG P P -0.669 0.02 . 180 16 16 DT H1' H 5.957 0.01 . 181 16 16 DT H2' H 1.850 0.01 . 182 16 16 DT H2'' H 2.284 0.01 . 183 16 16 DT H3' H 4.739 0.01 . 184 16 16 DT H4' H 4.162 0.01 . 185 16 16 DT H5' H 4.006 0.01 . 186 16 16 DT H5'' H 4.089 0.01 . 187 16 16 DT H6 H 7.204 0.01 . 188 16 16 DT H71 H 1.548 0.01 . 189 16 16 DT H72 H 1.548 0.01 . 190 16 16 DT H73 H 1.548 0.01 . 191 16 16 DT C1' C 89.699 0.01 . 192 16 16 DT C6 C 137.791 0.01 . 193 16 16 DT P P -0.592 0.02 . 194 17 17 DG H1' H 6.204 0.01 . 195 17 17 DG H2' H 2.747 0.01 . 196 17 17 DG H2'' H 2.593 0.01 . 197 17 17 DG H3' H 4.972 0.01 . 198 17 17 DG H4' H 4.341 0.01 . 199 17 17 DG H5' H 4.078 0.01 . 200 17 17 DG H8 H 7.956 0.01 . 201 17 17 DG C1' C 87.540 0.01 . 202 17 17 DG C8 C 138.840 0.01 . 203 17 17 DG P P -0.476 0.02 . 204 18 18 DT H1' H 5.714 0.01 . 205 18 18 DT H2' H 2.430 0.01 . 206 18 18 DT H2'' H 2.429 0.01 . 207 18 18 DT H3' H 4.804 0.01 . 208 18 18 DT H4' H 4.181 0.01 . 209 18 18 DT H5' H 3.994 0.01 . 210 18 18 DT H5'' H 4.028 0.01 . 211 18 18 DT H6 H 7.414 0.01 . 212 18 18 DT H71 H 1.311 0.01 . 213 18 18 DT H72 H 1.311 0.01 . 214 18 18 DT H73 H 1.311 0.01 . 215 18 18 DT C1' C 88.704 0.01 . 216 18 18 DT C6 C 137.433 0.01 . 217 18 18 DT P P 0.259 0.02 . 218 19 19 DG H1 H 11.929 0.01 . 219 19 19 DG H1' H 6.273 0.01 . 220 19 19 DG H2' H 3.009 0.01 . 221 19 19 DG H2'' H 3.189 0.01 . 222 19 19 DG H3' H 5.142 0.01 . 223 19 19 DG H4' H 4.469 0.01 . 224 19 19 DG H5' H 4.045 0.01 . 225 19 19 DG H5'' H 4.099 0.01 . 226 19 19 DG H8 H 8.221 0.01 . 227 19 19 DG C1' C 85.170 0.01 . 228 19 19 DG C8 C 137.292 0.01 . 229 19 19 DG P P 0.444 0.02 . 230 20 20 DG H1 H 11.290 0.01 . 231 20 20 DG H1' H 6.214 0.01 . 232 20 20 DG H2' H 2.726 0.01 . 233 20 20 DG H2'' H 2.982 0.01 . 234 20 20 DG H3' H 5.097 0.01 . 235 20 20 DG H4' H 4.599 0.01 . 236 20 20 DG H5' H 4.380 0.01 . 237 20 20 DG H8 H 7.783 0.01 . 238 20 20 DG C1' C 84.833 0.01 . 239 20 20 DG C8 C 135.474 0.01 . 240 20 20 DG P P -0.616 0.02 . 241 21 21 DG H1 H 11.013 0.01 . 242 21 21 DG H1' H 6.451 0.01 . 243 21 21 DG H2' H 2.674 0.01 . 244 21 21 DG H2'' H 2.569 0.01 . 245 21 21 DG H3' H 5.117 0.01 . 246 21 21 DG H4' H 4.661 0.01 . 247 21 21 DG H5' H 4.443 0.01 . 248 21 21 DG H5'' H 4.324 0.01 . 249 21 21 DG H8 H 7.779 0.01 . 250 21 21 DG C1' C 86.106 0.01 . 251 21 21 DG C8 C 136.532 0.01 . 252 21 21 DG P P -1.050 0.02 . 253 22 22 DT H1' H 6.550 0.01 . 254 22 22 DT H2' H 2.485 0.01 . 255 22 22 DT H2'' H 2.699 0.01 . 256 22 22 DT H3' H 5.153 0.01 . 257 22 22 DT H4' H 4.623 0.01 . 258 22 22 DT H6 H 7.873 0.01 . 259 22 22 DT H71 H 1.995 0.01 . 260 22 22 DT H72 H 1.995 0.01 . 261 22 22 DT H73 H 1.995 0.01 . 262 22 22 DT C1' C 92.218 0.01 . 263 22 22 DT C6 C 138.960 0.01 . 264 22 22 DT P P -2.069 0.02 . 265 23 23 DG H1 H 10.761 0.01 . 266 23 23 DG H1' H 6.174 0.01 . 267 23 23 DG H2' H 2.405 0.01 . 268 23 23 DG H2'' H 2.882 0.01 . 269 23 23 DG H3' H 5.159 0.01 . 270 23 23 DG H4' H 4.494 0.01 . 271 23 23 DG H5' H 4.292 0.01 . 272 23 23 DG H5'' H 4.357 0.01 . 273 23 23 DG H8 H 8.035 0.01 . 274 23 23 DG C1' C 83.498 0.01 . 275 23 23 DG C8 C 135.750 0.01 . 276 23 23 DG P P 0.159 0.02 . 277 24 24 DG H1 H 11.455 0.01 . 278 24 24 DG H1' H 5.992 0.01 . 279 24 24 DG H2' H 2.716 0.01 . 280 24 24 DG H2'' H 2.660 0.01 . 281 24 24 DG H3' H 5.083 0.01 . 282 24 24 DG H4' H 4.527 0.01 . 283 24 24 DG H5' H 4.205 0.01 . 284 24 24 DG H5'' H 4.275 0.01 . 285 24 24 DG H8 H 7.976 0.01 . 286 24 24 DG C1' C 82.166 0.01 . 287 24 24 DG C8 C 136.934 0.01 . 288 24 24 DG P P -0.024 0.02 . 289 25 25 DG H1 H 11.250 0.01 . 290 25 25 DG H1' H 6.212 0.01 . 291 25 25 DG H2' H 2.780 0.01 . 292 25 25 DG H2'' H 2.592 0.01 . 293 25 25 DG H3' H 4.849 0.01 . 294 25 25 DG H4' H 4.508 0.01 . 295 25 25 DG H5' H 4.269 0.01 . 296 25 25 DG H5'' H 4.270 0.01 . 297 25 25 DG H8 H 7.676 0.01 . 298 25 25 DG C1' C 85.807 0.01 . 299 25 25 DG C8 C 135.178 0.01 . 300 25 25 DG P P -0.170 0.02 . 301 26 26 DT H1' H 5.871 0.01 . 302 26 26 DT H2' H 2.019 0.01 . 303 26 26 DT H2'' H 2.036 0.01 . 304 26 26 DT H3' H 4.398 0.01 . 305 26 26 DT H4' H 3.938 0.01 . 306 26 26 DT H5' H 4.049 0.01 . 307 26 26 DT H5'' H 4.217 0.01 . 308 26 26 DT H6 H 7.115 0.01 . 309 26 26 DT H71 H 1.453 0.01 . 310 26 26 DT H72 H 1.453 0.01 . 311 26 26 DT H73 H 1.453 0.01 . 312 26 26 DT C1' C 89.312 0.01 . 313 26 26 DT C6 C 137.183 0.01 . 314 26 26 DT P P -0.538 0.02 . stop_ save_