data_15527 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 31P Chemical Shift Assignments for 14-mer Base Pair Non-self Complementary DNA Duplex ( Mbp1_14) which Contains the Consensus Binding Site of the Yeast Transcription Factor Mbp-1 ; _BMRB_accession_number 15527 _BMRB_flat_file_name bmr15527.str _Entry_type original _Submission_date 2007-10-15 _Accession_date 2007-10-15 _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 Chernatynskaya Anna V. . 2 Lane Andrew N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 227 "13C chemical shifts" 116 "31P chemical shifts" 25 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-15 update author 'update DNA residue label to two-letter code' 2009-06-30 update author 'update entry citation' 2009-06-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural analysis of the DNA target site and its interaction with Mbp1' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deleeuw Lynn . . 2 Chernatynskaya Anna V. . 3 Lane Andrew N. . stop_ _Journal_abbreviation 'Org. Biomol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Mbp1_14 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA Starnd1' $DNA_Strand1 'DNA Strand2' $DNA_Strand2 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_Strand1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_Strand1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 14 _Mol_residue_sequence CTTACGCGTCATTG loop_ _Residue_seq_code _Residue_label 1 DC 2 DT 3 DT 4 DA 5 DC 6 DG 7 DC 8 DG 9 DT 10 DC 11 DA 12 DT 13 DT 14 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_Strand2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_Strand2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 14 _Mol_residue_sequence CAATGACGCGTAAG loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 15 DC 2 16 DA 3 17 DA 4 18 DT 5 19 DG 6 20 DA 7 21 DC 8 22 DG 9 23 DC 10 24 DG 11 25 DT 12 26 DA 13 27 DA 14 28 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_Strand1 . . . . . . $DNA_Strand2 . . . . . . 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_Strand1 'obtained from a vendor' . . . . 'Integrated DNA Technologies, Inc.' $DNA_Strand2 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Sample_1 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $assembly 1.2 mM 'natural abundance' H2O 100 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Sample_2 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $assembly 1.2 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Sample_3 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site. 13C enriched nucleotides in DNA Strand1.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $DNA_Strand1 0.4 mM [U-13C] $DNA_Strand2 0.4 mM 'natural abundance' H2O 100 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'Sample_4 is 14-mer base pair non-self complementary DNA duplex (Mbp1_14) containing the Mbp-1 recognition site. 13C enriched nucleotides in DNA Strand1.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $DNA_Strand1 0.4 mM [U-13C] $DNA_Strand2 0.4 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_WGNOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name WGNOESY _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-31P_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C NOESY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pH 7 . pH stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 7 . 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 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS P 31 'methyl protons' ppm 0.00 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '2D 1H-31P HSQC' '2D 1H-13C NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA Starnd1' _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 5.95 . 1 2 1 1 DC H2' H 2.28 . 1 3 1 1 DC H2'' H 2.65 . 1 4 1 1 DC H3' H 4.70 . 1 5 1 1 DC H4' H 4.15 . 1 6 1 1 DC H5 H 6.00 . 1 7 1 1 DC H6 H 7.92 . 1 8 1 1 DC C1' C 88.44 . 1 9 1 1 DC C2' C 41.04 . 1 10 1 1 DC C3' C 76.54 . 1 11 1 1 DC C4' C 88.39 . 1 12 1 1 DC C5 C 99.28 . 1 13 1 1 DC C6 C 143.32 . 1 14 1 1 DC P P 0.3 . 1 15 2 2 DT H1' H 6.18 . 1 16 2 2 DT H2' H 2.25 . 1 17 2 2 DT H2'' H 2.64 . 1 18 2 2 DT H3 H 14.12 . 1 19 2 2 DT H3' H 4.91 . 1 20 2 2 DT H4' H 4.26 . 1 21 2 2 DT H6 H 7.68 . 1 22 2 2 DT H71 H 1.73 . 2 23 2 2 DT H72 H 1.73 . 2 24 2 2 DT H73 H 1.73 . 2 25 2 2 DT C1' C 84.84 0.15 1 26 2 2 DT C2' C 39.39 . 1 27 2 2 DT C3' C 79.44 . 1 28 2 2 DT C4' C 86.74 . 1 29 2 2 DT C5 C 14.50 . 1 30 2 2 DT C6 C 139.71 . 1 31 2 2 DT P P 0.09 0.02 1 32 3 3 DT H1' H 5.78 . 1 33 3 3 DT H2' H 2.16 . 1 34 3 3 DT H2'' H 2.50 . 1 35 3 3 DT H3 H 13.64 . 1 36 3 3 DT H3' H 4.92 . 1 37 3 3 DT H4' H 4.17 . 1 38 3 3 DT H6 H 7.48 . 1 39 3 3 DT H71 H 1.75 . 2 40 3 3 DT H72 H 1.75 . 2 41 3 3 DT H73 H 1.75 . 2 42 3 3 DT C1' C 85.39 . 1 43 3 3 DT C2' C 39.24 0.15 1 44 3 3 DT C3' C 77.74 . 1 45 3 3 DT C5 C 14.55 . 1 46 3 3 DT C6 C 139.82 . 1 47 3 3 DT P P 0.34 . 1 48 4 4 DA H1' H 6.19 . 1 49 4 4 DA H2 H 7.53 . 1 50 4 4 DA H2' H 2.73 . 1 51 4 4 DA H2'' H 2.87 . 1 52 4 4 DA H3' H 5.07 . 1 53 4 4 DA H4' H 4.44 . 1 54 4 4 DA H8 H 8.35 . 1 55 4 4 DA C1' C 84.84 0.15 1 56 4 4 DA C2 C 154.83 . 1 57 4 4 DA C2' C 40.64 . 1 58 4 4 DA C3' C 79.54 . 1 59 4 4 DA C4' C 87.54 . 1 60 4 4 DA C8 C 141.93 . 1 61 5 5 DC H1' H 5.55 . 1 62 5 5 DC H2' H 1.93 . 1 63 5 5 DC H2'' H 2.32 . 1 64 5 5 DC H3' H 4.79 . 1 65 5 5 DC H4' H 4.16 . 1 66 5 5 DC H5 H 5.24 . 1 67 5 5 DC H6 H 7.27 . 1 68 5 5 DC H41 H 7.93 . 1 69 5 5 DC H42 H 6.35 . 1 70 5 5 DC C1' C 86.34 . 1 71 5 5 DC C2' C 39.94 . 1 72 5 5 DC C3' C 76.54 . 1 73 5 5 DC C5 C 98.64 . 1 74 5 5 DC C6 C 142.17 . 1 75 5 5 DC P P 0.42 0.02 1 76 6 6 DG H1 H 12.80 . 1 77 6 6 DG H1' H 5.86 . 1 78 6 6 DG H2' H 2.60 . 1 79 6 6 DG H2'' H 2.72 . 1 80 6 6 DG H3' H 4.96 . 1 81 6 6 DG H4' H 4.34 . 1 82 6 6 DG H8 H 7.84 . 1 83 6 6 DG C1' C 84.74 . 1 84 6 6 DG C2' C 40.74 0.15 1 85 6 6 DG C3' C 80.04 . 1 86 6 6 DG C4' C 87.44 . 1 87 6 6 DG C8 C 138.45 . 1 88 6 6 DG P P 0.26 0.02 1 89 7 7 DC H1' H 5.67 . 1 90 7 7 DC H2' H 2.02 . 1 91 7 7 DC H2'' H 2.40 . 1 92 7 7 DC H3' H 4.82 . 1 93 7 7 DC H4' H 4.16 . 1 94 7 7 DC H5 H 5.31 . 1 95 7 7 DC H6 H 7.28 . 1 96 7 7 DC H41 H 8.04 . 1 97 7 7 DC H42 H 6.16 . 1 98 7 7 DC C1' C 86.54 . 1 99 7 7 DC C2' C 40.09 . 1 100 7 7 DC C3' C 77.09 . 1 101 7 7 DC C5 C 98.44 . 1 102 7 7 DC C6 C 142.19 . 1 103 7 7 DC P P 0.31 0.02 1 104 8 8 DG H1 H 12.77 . 1 105 8 8 DG H1' H 5.92 . 1 106 8 8 DG H2' H 2.62 . 1 107 8 8 DG H2'' H 2.79 . 1 108 8 8 DG H3' H 4.92 . 1 109 8 8 DG H4' H 4.34 . 1 110 8 8 DG H8 H 7.89 . 1 111 8 8 DG C1' C 85.14 0.15 1 112 8 8 DG C2' C 40.89 . 1 113 8 8 DG C3' C 79.44 . 1 114 8 8 DG C4' C 87.39 . 1 115 8 8 DG C8 C 138.12 . 1 116 8 8 DG P P 0.09 0.02 1 117 9 9 DT H1' H 5.98 . 1 118 9 9 DT H2' H 2.10 . 1 119 9 9 DT H2'' H 2.49 . 1 120 9 9 DT H3 H 13.67 . 1 121 9 9 DT H3' H 4.86 . 1 122 9 9 DT H4' H 4.19 . 1 123 9 9 DT H6 H 7.25 . 1 124 9 9 DT H71 H 1.37 . 2 125 9 9 DT H72 H 1.37 . 2 126 9 9 DT H73 H 1.37 . 2 127 9 9 DT C1' C 85.64 . 1 128 9 9 DT C2' C 39.64 0.15 1 129 9 9 DT C3' C 78.04 0.15 1 130 9 9 DT C4' C 85.79 0.15 1 131 9 9 DT C5 C 14.45 . 1 132 9 9 DT C6 C 138.17 . 1 133 9 9 DT P P 0.39 0.02 1 134 10 10 DC H1' H 5.58 . 1 135 10 10 DC H2' H 2.14 . 1 136 10 10 DC H2'' H 2.46 . 1 137 10 10 DC H3' H 4.85 . 1 138 10 10 DC H4' H 4.14 . 1 139 10 10 DC H5 H 5.68 . 1 140 10 10 DC H6 H 7.58 . 1 141 10 10 DC H41 H 8.21 . 1 142 10 10 DC H42 H 6.62 . 1 143 10 10 DC C1' C 86.54 0.15 1 144 10 10 DC C2' C 39.77 . 1 145 10 10 DC C3' C 77.44 0.15 1 146 10 10 DC C5 C 98.76 . 1 147 10 10 DC C6 C 143.78 . 1 148 10 10 DC P P 0.55 . 1 149 11 11 DA H1' H 6.27 . 1 150 11 11 DA H2 H 7.64 . 1 151 11 11 DA H2' H 2.74 . 1 152 11 11 DA H2'' H 2.96 . 1 153 11 11 DA H3' H 5.03 . 1 154 11 11 DA H4' H 4.44 . 1 155 11 11 DA H8 H 8.37 . 1 156 11 11 DA C1' C 85.39 . 1 157 11 11 DA C2 C 154.64 . 1 158 11 11 DA C2' C 41.04 . 1 159 11 11 DA C3' C 79.94 . 1 160 11 11 DA C4' C 87.84 . 1 161 11 11 DA C8 C 141.69 . 1 162 11 11 DA P P 0.07 0.02 1 163 12 12 DT H1' H 5.95 . 1 164 12 12 DT H2' H 2.00 . 1 165 12 12 DT H2'' H 2.52 . 1 166 12 12 DT H3 H 13.68 . 1 167 12 12 DT H3' H 4.85 . 1 168 12 12 DT H4' H 4.19 . 1 169 12 12 DT H6 H 7.25 . 1 170 12 12 DT H71 H 1.45 . 2 171 12 12 DT H72 H 1.45 . 2 172 12 12 DT H73 H 1.45 . 2 173 12 12 DT C1' C 85.14 0.15 1 174 12 12 DT C2' C 39.14 . 1 175 12 12 DT C3' C 76.84 0.15 1 176 12 12 DT C5 C 14.30 . 1 177 12 12 DT C6 C 138.37 . 1 178 12 12 DT P P 0.31 0.02 1 179 13 13 DT H1' H 5.93 . 1 180 13 13 DT H2' H 2.02 . 1 181 13 13 DT H2'' H 2.42 . 1 182 13 13 DT H3 H 14.00 . 1 183 13 13 DT H3' H 4.88 . 1 184 13 13 DT H4' H 4.13 . 1 185 13 13 DT H6 H 7.35 . 1 186 13 13 DT H71 H 1.70 . 2 187 13 13 DT H72 H 1.70 . 2 188 13 13 DT H73 H 1.70 . 2 189 13 13 DT C1' C 85.54 . 1 190 13 13 DT C2' C 39.24 . 1 191 13 13 DT C3' C 77.14 . 1 192 13 13 DT C5 C 14.50 . 1 193 13 13 DT C6 C 139.79 . 1 194 13 13 DT P P 0.46 . 1 195 14 14 DG H1 H 13.22 . 1 196 14 14 DG H1' H 6.18 . 1 197 14 14 DG H2' H 2.64 . 1 198 14 14 DG H2'' H 2.40 . 1 199 14 14 DG H3' H 4.70 . 1 200 14 14 DG H4' H 4.20 . 1 201 14 14 DG H8 H 7.96 . 1 202 14 14 DG C1' C 86.47 . 1 203 14 14 DG C2' C 42.09 . 1 204 14 14 DG C3' C 73.34 . 1 205 14 14 DG C4' C 88.04 . 1 206 14 14 DG C8 C 139.36 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '2D 1H-31P HSQC' '2D 1H-13C NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA Strand2' _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 15 1 DC H1' H 5.68 . 1 2 15 1 DC H2' H 1.86 . 1 3 15 1 DC H2'' H 2.37 . 1 4 15 1 DC H3' H 4.72 . 1 5 15 1 DC H4' H 4.07 . 1 6 15 1 DC H5 H 5.96 . 1 7 15 1 DC H6 H 7.65 . 1 8 15 1 DC C1' C 85.10 . 5 9 15 1 DC C2' C 40.20 . 5 10 15 1 DC C3' C 77.80 . 1 11 15 1 DC C4' C 88.30 . 1 12 15 1 DC C5 C 99.55 . 1 13 15 1 DC C6 C 143.29 . 1 14 15 1 DC P P 0.43 . 1 15 16 2 DA H1' H 5.95 . 1 16 16 2 DA H2 H 7.44 . 1 17 16 2 DA H2' H 2.84 . 1 18 16 2 DA H2'' H 2.96 . 1 19 16 2 DA H3' H 5.08 . 1 20 16 2 DA H4' H 4.40 . 1 21 16 2 DA H8 H 8.33 . 1 22 16 2 DA C2 C 154.10 . 1 23 16 2 DA C2' C 40.40 . 1 24 16 2 DA C8 C 141.86 . 1 25 16 2 DA P P 0.33 . 1 26 17 3 DA H1' H 6.23 . 1 27 17 3 DA H2 H 7.76 . 1 28 17 3 DA H2' H 2.62 . 1 29 17 3 DA H2'' H 2.92 . 1 30 17 3 DA H3' H 5.05 . 1 31 17 3 DA H4' H 4.48 . 1 32 17 3 DA H8 H 8.20 . 1 33 17 3 DA C1' C 84.90 . 1 34 17 3 DA C2 C 154.60 . 1 35 17 3 DA C4' C 87.40 . 1 36 17 3 DA C8 C 141.25 . 1 37 17 3 DA P P 0.11 . 1 38 18 4 DT H1' H 5.68 . 1 39 18 4 DT H2' H 1.86 . 1 40 18 4 DT H2'' H 2.32 . 1 41 18 4 DT H3 H 13.20 . 1 42 18 4 DT H3' H 4.85 . 1 43 18 4 DT H4' H 4.13 . 1 44 18 4 DT H6 H 6.99 . 1 45 18 4 DT H71 H 1.34 . 2 46 18 4 DT H72 H 1.34 . 2 47 18 4 DT H73 H 1.34 . 2 48 18 4 DT C1' C 86.30 . 5 49 18 4 DT C2' C 39.40 . 5 50 18 4 DT C5 C 14.30 . 1 51 18 4 DT C6 C 138.00 . 1 52 18 4 DT P P 0.28 0.02 1 53 19 5 DG H1 H 12.20 . 1 54 19 5 DG H1' H 5.51 . 1 55 19 5 DG H2' H 2.66 . 1 56 19 5 DG H2'' H 2.76 . 1 57 19 5 DG H3' H 5.00 . 1 58 19 5 DG H4' H 4.33 . 1 59 19 5 DG H8 H 7.80 . 1 60 19 5 DG C1' C 84.10 . 1 61 19 5 DG C8 C 138.17 . 1 62 19 5 DG P P 0.38 . 1 63 20 6 DA H1' H 6.19 . 1 64 20 6 DA H2 H 7.78 . 1 65 20 6 DA H2' H 2.65 . 1 66 20 6 DA H2'' H 2.87 . 1 67 20 6 DA H3' H 5.04 . 1 68 20 6 DA H4' H 4.45 . 1 69 20 6 DA H8 H 8.12 . 1 70 20 6 DA C2 C 155.06 . 1 71 20 6 DA C2' C 40.50 . 1 72 20 6 DA C8 C 141.03 . 1 73 20 6 DA P P 0.24 0.02 1 74 21 7 DC H1' H 5.56 . 1 75 21 7 DC H2' H 1.90 . 1 76 21 7 DC H2'' H 2.32 . 1 77 21 7 DC H3' H 4.79 . 1 78 21 7 DC H4' H 4.11 . 1 79 21 7 DC H5 H 5.16 . 1 80 21 7 DC H6 H 7.14 . 1 81 21 7 DC H41 H 7.88 . 1 82 21 7 DC H42 H 6.27 . 1 83 21 7 DC C5 C 98.25 . 1 84 21 7 DC C6 C 142.00 . 1 85 21 7 DC P P 0.42 0.02 1 86 22 8 DG H1 H 12.66 . 1 87 22 8 DG H1' H 5.86 . 1 88 22 8 DG H2' H 2.60 . 1 89 22 8 DG H2'' H 2.72 . 1 90 22 8 DG H3' H 4.99 . 1 91 22 8 DG H4' H 4.34 . 1 92 22 8 DG H8 H 7.80 . 1 93 22 8 DG C8 C 138.17 . 1 94 22 8 DG P P 0.28 0.02 1 95 23 9 DC H1' H 5.66 . 1 96 23 9 DC H2' H 2.02 . 1 97 23 9 DC H2'' H 2.40 . 1 98 23 9 DC H3' H 4.83 . 1 99 23 9 DC H4' H 4.16 . 1 100 23 9 DC H5 H 5.27 . 1 101 23 9 DC H6 H 7.24 . 1 102 23 9 DC H41 H 8.04 . 1 103 23 9 DC H42 H 6.16 . 1 104 23 9 DC C1' C 87.90 . 5 105 23 9 DC C5 C 98.40 . 1 106 23 9 DC C6 C 142.18 . 1 107 23 9 DC P P 0.46 0.02 1 108 24 10 DG H1 H 12.35 . 1 109 24 10 DG H1' H 5.93 . 1 110 24 10 DG H2' H 2.60 . 1 111 24 10 DG H2'' H 2.76 . 1 112 24 10 DG H3' H 4.94 . 1 113 24 10 DG H4' H 4.35 . 1 114 24 10 DG H8 H 7.85 . 1 115 24 10 DG C8 C 138.33 . 1 116 24 10 DG P P 0.12 0.02 1 117 25 11 DT H1' H 5.57 . 1 118 25 11 DT H2' H 1.92 . 1 119 25 11 DT H2'' H 2.27 . 1 120 25 11 DT H3 H 13.34 . 1 121 25 11 DT H3' H 4.84 . 1 122 25 11 DT H4' H 4.14 . 1 123 25 11 DT H6 H 7.15 . 1 124 25 11 DT H71 H 1.52 . 2 125 25 11 DT H72 H 1.52 . 2 126 25 11 DT H73 H 1.52 . 2 127 25 11 DT C5 C 14.50 . 1 128 25 11 DT C6 C 138.11 . 1 129 25 11 DT P P 0.49 0.02 1 130 26 12 DA H1' H 5.86 . 1 131 26 12 DA H2 H 7.16 . 1 132 26 12 DA H2' H 2.72 . 1 133 26 12 DA H2'' H 2.86 . 1 134 26 12 DA H3' H 5.04 . 1 135 26 12 DA H4' H 4.36 . 1 136 26 12 DA H8 H 8.22 . 1 137 26 12 DA C2 C 153.96 . 1 138 26 12 DA C2' C 40.25 . 1 139 26 12 DA C8 C 141.90 . 1 140 26 12 DA P P 0.32 0.02 1 141 27 13 DA H1' H 6.01 . 1 142 27 13 DA H2 H 7.66 . 1 143 27 13 DA H2' H 2.59 . 1 144 27 13 DA H2'' H 2.83 . 1 145 27 13 DA H3' H 5.03 . 1 146 27 13 DA H4' H 4.42 . 1 147 27 13 DA H8 H 8.05 . 1 148 27 13 DA C2 C 154.29 . 1 149 27 13 DA C2' C 40.70 . 1 150 27 13 DA C4' C 87.60 . 1 151 27 13 DA C8 C 141.15 . 1 152 27 13 DA P P 0.39 0.02 1 153 28 14 DG H1 H 13.22 . 1 154 28 14 DG H1' H 5.99 . 1 155 28 14 DG H2' H 2.38 . 1 156 28 14 DG H2'' H 2.28 . 1 157 28 14 DG H3' H 4.61 . 1 158 28 14 DG H4' H 4.17 . 1 159 28 14 DG H8 H 7.60 . 1 160 28 14 DG C2' C 42.70 . 1 161 28 14 DG C3' C 72.50 . 1 162 28 14 DG C8 C 138.35 . 1 stop_ save_