data_4103 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments of the 14mer DNA Duplex BS2 ; _BMRB_accession_number 4103 _BMRB_flat_file_name bmr4103.str _Entry_type new _Submission_date 1997-01-28 _Accession_date 1997-02-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The data reported here represent the 1H, 13C and 15N chemical shifts of a 13C/15N doubly labeled 14mer DNA duplex comprising the operator sequence BS2. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fernandez Cesar . . 2 Szyperski Thomas . . 3 Ono Akira . . 4 Iwai Hideo . . 5 Tate Shin-ichi . . 6 Kainosho Masatsune . . 7 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 258 "13C chemical shifts" 188 "15N chemical shifts" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-15 update BMRB 'update DNA residue label to two-letter code' 1998-07-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4104 'DNA complexed with the Antennapedia Homeodomain protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Fernandez, C., Szyperski, T., Ono, A., Iwai, H., Tate, S., Kainosho, M. and Wuthrich, K., "NMR with 13C,15N-doubly-labeled DNA: the Antennapedia Homeodomain Complex with a 14mer DNA Duplex," J. Biomol. NMR, in press (1998). ; _Citation_title ; NMR with 13C,15N-doubly-labeled DNA: the Antennapedia Homeodomain Complex with a 14mer DNA Duplex ; _Citation_status 'in press' _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 Fernandez Cesar . . 2 Szyperski Thomas . . 3 Ono Akira . . 4 Iwai Hideo . . 5 Tate Shin-ichi . . 6 Kainosho Masatsune . . 7 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _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 1998 _Details . loop_ _Keyword 'Nucleic acids' 'protein-DNA complex' 'sequential resonance assignment' 'NMR spectroscopy' 'isotope labeling' stop_ save_ ################################## # Molecular system description # ################################## save_system_BS2 _Saveframe_category molecular_system _Mol_system_name '14mer DNA duplex containing the operator sequence BS2' _Abbreviation_common BS2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BS2_strand_A $BS2A BS2_strand_B $BS2B stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ; DNA operator sequence interacts with the Antennapedia Homeodomain. This DNA sequence is part of a developmental regulatory system responsible for the body plan in Drosophila melanogaster during embryogenesis. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BS2A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common BS2_strand_A _Name_variant BS2A _Abbreviation_common BS2A _Molecular_mass . _Mol_thiol_state . _Details 'plus strand, 14mer' ############################## # Polymer residue sequence # ############################## _Residue_count 14 _Mol_residue_sequence GAAAGCCATTAGAG loop_ _Residue_seq_code _Residue_label 1 DG 2 DA 3 DA 4 DA 5 DG 6 DC 7 DC 8 DA 9 DT 10 DT 11 DA 12 DG 13 DA 14 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_BS2B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common BS2_strand_B _Abbreviation_common BS2B _Molecular_mass . _Mol_thiol_state . _Details 'minus strand, 14mer' _Residue_count 14 _Mol_residue_sequence CTCTAATGGCTTTC loop_ _Residue_seq_code _Residue_label 1 DC 2 DT 3 DC 4 DT 5 DA 6 DA 7 DT 8 DG 9 DG 10 DC 11 DT 12 DT 13 DT 14 DC 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 $BS2A 'fruit fly' . eucaryote Animalia Drosophila melanogaster $BS2B 'fruit fly' . eucaryote Animalia Drosophila melanogaster 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 $BS2A 'Chemical synthesis' . . . . . $BS2B 'Chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $system_BS2 1.0 mM [U-13C;U-15N] KPO4 50 mM . KCL 20 mM . D2O 10 % . H2O 90 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX500 _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX600 _Field_strength 600 _Details . save_ save_NMR_spectrometer_three _Saveframe_category NMR_spectrometer _Manufacturer 'Varian Unity Plus' _Model 'Unity Plus' _Field_strength 750 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . n/a temperature 309 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 meTl ppm 0.00 internal direct . . . . DSS C 13 protons ppm 0.00 . indirect . . . 0.251449530 DSS N 15 protons ppm 0.00 . indirect . . . 0.101329118 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_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details ; DNA duplex, sequence number (5') 1-14 (3'): plus strand ; loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name BS2_strand_A _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 DG C5' C 64.4 . 1 2 . 1 DG H5' H 3.64 . 2 3 . 1 DG H5'' H 3.63 . 2 4 . 1 DG C4' C 89.3 . 1 5 . 1 DG H4' H 4.12 . 1 6 . 1 DG C3' C 79.3 . 1 7 . 1 DG H3' H 4.78 . 1 8 . 1 DG C2' C 40.0 . 1 9 . 1 DG H2' H 2.35 . 1 10 . 1 DG H2'' H 2.56 . 1 11 . 1 DG C1' C 85.5 . 1 12 . 1 DG H1' H 5.48 . 1 13 . 1 DG C8 C 139.0 . 1 14 . 1 DG H8 H 7.78 . 1 15 . 2 DA C5' C 68.1 . 1 16 . 2 DA H5' H 4.13 . 2 17 . 2 DA H5'' H 4.03 . 2 18 . 2 DA C4' C 87.8 . 1 19 . 2 DA H4' H 4.36 . 1 20 . 2 DA C3' C 79.5 . 1 21 . 2 DA H3' H 5.01 . 1 22 . 2 DA C2' C 40.2 . 1 23 . 2 DA H2' H 2.71 . 1 24 . 2 DA H2'' H 2.81 . 1 25 . 2 DA C1' C 84.8 . 1 26 . 2 DA H1' H 5.77 . 1 27 . 2 DA C8 C 141.1 . 1 28 . 2 DA H8 H 8.16 . 1 29 . 3 DA C5' C 68.2 . 1 30 . 3 DA H5' H 4.18 . 2 31 . 3 DA H5'' H 4.15 . 2 32 . 3 DA C4' C 87.1 . 1 33 . 3 DA H4' H 4.38 . 1 34 . 3 DA C3' C 78.8 . 1 35 . 3 DA H3' H 5.03 . 1 36 . 3 DA C2' C 41.0 . 1 37 . 3 DA H2' H 2.60 . 1 38 . 3 DA H2'' H 2.81 . 1 39 . 3 DA C1' C 84.4 . 1 40 . 3 DA H1' H 5.81 . 1 41 . 3 DA C2 C 153.9 . 1 42 . 3 DA H2 H 7.25 . 1 43 . 3 DA C8 C 141.0 . 1 44 . 3 DA H8 H 8.07 . 1 45 . 4 DA C5' C 68.1 . 1 46 . 4 DA H5' H 4.21 . 2 47 . 4 DA H5'' H 4.20 . 2 48 . 4 DA C4' C 87.0 . 1 49 . 4 DA H4' H 4.40 . 1 50 . 4 DA C3' C 78.7 . 1 51 . 4 DA H3' H 5.01 . 1 52 . 4 DA C2' C 41.3 . 1 53 . 4 DA H2' H 2.52 . 1 54 . 4 DA H2'' H 2.77 . 1 55 . 4 DA C1' C 84.5 . 1 56 . 4 DA H1' H 5.94 . 1 57 . 4 DA C2 C 154.1 . 1 58 . 4 DA H2 H 7.50 . 1 59 . 4 DA C8 C 140.9 . 1 60 . 4 DA H8 H 7.93 . 1 61 . 5 DG C5' C 68.0 . 1 62 . 5 DG H5' H 4.17 . 2 63 . 5 DG H5'' H 4.18 . 2 64 . 5 DG C4' C 86.7 . 1 65 . 5 DG H4' H 4.32 . 1 66 . 5 DG C3' C 78.2 . 1 67 . 5 DG H3' H 4.89 . 1 68 . 5 DG C2' C 41.3 . 1 69 . 5 DG H2' H 2.39 . 1 70 . 5 DG H2'' H 2.55 . 1 71 . 5 DG C1' C 84.2 . 1 72 . 5 DG H1' H 5.66 . 1 73 . 5 DG N1 N 147.1 . 1 74 . 5 DG H1 H 12.72 . 1 75 . 5 DG C8 C 137.0 . 1 76 . 5 DG H8 H 7.48 . 1 77 . 6 DC C5' C 67.4 . 1 78 . 6 DC H5' H 4.17 . 2 79 . 6 DC H5'' H 4.10 . 2 80 . 6 DC C4' C 85.3 . 1 81 . 6 DC H4' H 4.16 . 1 82 . 6 DC C3' C 77.1 . 1 83 . 6 DC H3' H 4.73 . 1 84 . 6 DC C2' C 40.4 . 1 85 . 6 DC H2' H 2.00 . 1 86 . 6 DC H2'' H 2.40 . 1 87 . 6 DC C1' C 86.7 . 1 88 . 6 DC H1' H 5.85 . 1 89 . 6 DC N4 N 97.5 . 1 90 . 6 DC H41 H 7.96 . 1 91 . 6 DC H42 H 6.07 . 1 92 . 6 DC C5 C 98.0 . 1 93 . 6 DC H5 H 5.07 . 1 94 . 6 DC C6 C 142.3 . 1 95 . 6 DC H6 H 7.23 . 1 96 . 7 DC C5' C 67.0 . 1 97 . 7 DC H5' H 4.04 . 2 98 . 7 DC H5'' H 4.03 . 2 99 . 7 DC C4' C 85.8 . 1 100 . 7 DC H4' H 4.09 . 1 101 . 7 DC C3' C 77.5 . 1 102 . 7 DC H3' H 4.81 . 1 103 . 7 DC C2' C 39.9 . 1 104 . 7 DC H2' H 2.06 . 1 105 . 7 DC H2'' H 2.39 . 1 106 . 7 DC C1' C 86.5 . 1 107 . 7 DC H1' H 5.47 . 1 108 . 7 DC N4 N 98.5 . 1 109 . 7 DC H41 H 8.30 . 1 110 . 7 DC H42 H 6.57 . 1 111 . 7 DC C5 C 98.5 . 1 112 . 7 DC H5 H 5.51 . 1 113 . 7 DC C6 C 143.1 . 1 114 . 7 DC H6 H 7.43 . 1 115 . 8 DA C5' C 68.0 . 1 116 . 8 DA H5' H 4.14 . 2 117 . 8 DA H5'' H 4.09 . 2 118 . 8 DA C4' C 87.1 . 1 119 . 8 DA H4' H 4.41 . 1 120 . 8 DA C3' C 79.6 . 1 121 . 8 DA H3' H 4.99 . 1 122 . 8 DA C2' C 41.0 . 1 123 . 8 DA H2' H 2.69 . 1 124 . 8 DA H2'' H 2.92 . 1 125 . 8 DA C1' C 85.3 . 1 126 . 8 DA H1' H 6.24 . 1 127 . 8 DA C2 C 154.6 . 1 128 . 8 DA H2 H 7.56 . 1 129 . 8 DA N6 N 80.7 . 1 130 . 8 DA C8 C 141.8 . 1 131 . 8 DA H8 H 8.28 . 1 132 . 9 DT C5' C 66.7 . 1 133 . 9 DT H5' H 4.30 . 2 134 . 9 DT H5'' H 4.14 . 2 135 . 9 DT C4' C 85.3 . 1 136 . 9 DT H4' H 4.17 . 1 137 . 9 DT C3' C 76.8 . 1 138 . 9 DT H3' H 4.79 . 1 139 . 9 DT C2' C 39.2 . 1 140 . 9 DT H2' H 1.94 . 1 141 . 9 DT H2'' H 2.47 . 1 142 . 9 DT C1' C 85.3 . 1 143 . 9 DT H1' H 5.86 . 1 144 . 9 DT N3 N 158.7 . 1 145 . 9 DT H3 H 13.48 . 1 146 . 9 DT C7 C 14.2 . 1 147 . 9 DT C6 C 138.2 . 1 148 . 9 DT H6 H 7.14 . 1 149 . 10 DT C5' C 67.0 . 1 150 . 10 DT H5' H 4.10 . 2 151 . 10 DT H5'' H 4.05 . 2 152 . 10 DT C4' C 85.8 . 1 153 . 10 DT H4' H 4.09 . 1 154 . 10 DT C3' C 77.6 . 1 155 . 10 DT H3' H 4.85 . 1 156 . 10 DT C2' C 39.1 . 1 157 . 10 DT H2' H 2.02 . 1 158 . 10 DT H2'' H 2.34 . 1 159 . 10 DT C1' C 85.4 . 1 160 . 10 DT H1' H 5.63 . 1 161 . 10 DT N3 N 158.9 . 1 162 . 10 DT H3 H 13.46 . 1 163 . 10 DT C7 C 14.4 . 1 164 . 10 DT C6 C 139.9 . 1 165 . 10 DT H6 H 7.30 . 1 166 . 11 DA C5' C 68.2 . 1 167 . 11 DA H5' H 4.10 . 2 168 . 11 DA H5'' H 4.02 . 2 169 . 11 DA C4' C 87.1 . 1 170 . 11 DA H4' H 4.36 . 1 171 . 11 DA C3' C 79.4 . 1 172 . 11 DA H3' H 5.00 . 1 173 . 11 DA C2' C 40.4 . 1 174 . 11 DA H2' H 2.64 . 1 175 . 11 DA H2'' H 2.77 . 1 176 . 11 DA C1' C 84.8 . 1 177 . 11 DA H1' H 5.90 . 1 178 . 11 DA C2 C 154.0 . 1 179 . 11 DA H2 H 7.24 . 1 180 . 11 DA N6 N 79.5 . 1 181 . 11 DA C8 C 141.8 . 1 182 . 11 DA H8 H 8.13 . 1 183 . 12 DG C5' C 67.9 . 1 184 . 12 DG H5' H 4.16 . 2 185 . 12 DG H5'' H 4.12 . 2 186 . 12 DG C4' C 87.0 . 1 187 . 12 DG H4' H 4.27 . 1 188 . 12 DG C3' C 78.3 . 1 189 . 12 DG H3' H 4.94 . 1 190 . 12 DG C2' C 40.8 . 1 191 . 12 DG H2' H 2.48 . 1 192 . 12 DG H2'' H 2.57 . 1 193 . 12 DG C1' C 83.8 . 1 194 . 12 DG H1' H 5.34 . 1 195 . 12 DG N1 N 147.0 . 1 196 . 12 DG H1 H 12.54 . 1 197 . 12 DG C8 C 137.4 . 1 198 . 12 DG H8 H 7.64 . 1 199 . 13 DA C5' C 68.4 . 1 200 . 13 DA H5' H 4.16 . 2 201 . 13 DA H5'' H 4.12 . 2 202 . 13 DA C4' C 87.4 . 1 203 . 13 DA H4' H 4.37 . 1 204 . 13 DA C3' C 79.1 . 1 205 . 13 DA H3' H 4.97 . 1 206 . 13 DA C2' C 41.2 . 1 207 . 13 DA H2' H 2.55 . 1 208 . 13 DA H2'' H 2.83 . 1 209 . 13 DA C1' C 85.1 . 1 210 . 13 DA H1' H 6.07 . 1 211 . 13 DA C8 C 141.2 . 1 212 . 13 DA H8 H 7.99 . 1 213 . 14 DG C5' C 66.8 . 1 214 . 14 DG H5' H 4.21 . 2 215 . 14 DG H5'' H 4.11 . 2 216 . 14 DG C4' C 87.4 . 1 217 . 14 DG H4' H 4.13 . 1 218 . 14 DG C3' C 72.3 . 1 219 . 14 DG H3' H 4.58 . 1 220 . 14 DG C2' C 42.7 . 1 221 . 14 DG H2' H 2.35 . 1 222 . 14 DG H2'' H 2.25 . 1 223 . 14 DG C1' C 84.4 . 1 224 . 14 DG H1' H 5.97 . 1 225 . 14 DG C8 C 138.4 . 1 226 . 14 DG H8 H 7.57 . 1 stop_ save_ save_chemical_shift_assignment_two _Saveframe_category assigned_chemical_shifts _Details ; DNA duplex, sequence number (5') 1-14 (3'): minus strand ; loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name BS2_strand_B _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 DC C5' C 63.00 . 1 2 . 1 DC H5' H 3.82 . 2 3 . 1 DC H5'' H 3.77 . 2 4 . 1 DC C4' C 88.2 . 1 5 . 1 DC H4' H 4.07 . 1 6 . 1 DC C3' C 76.1 . 1 7 . 1 DC H3' H 4.64 . 1 8 . 1 DC C2' C 41.1 . 1 9 . 1 DC H2' H 2.22 . 1 10 . 1 DC H2'' H 2.56 . 1 11 . 1 DC C1' C 88.5 . 1 12 . 1 DC H1' H 5.85 . 1 13 . 1 DC N4 N 95.1 . 1 14 . 1 DC H41 H 7.71 . 1 15 . 1 DC H42 H 7.09 . 1 16 . 1 DC C5 C 99.1 . 1 17 . 1 DC H5 H 5.91 . 1 18 . 1 DC C6 C 143.3 . 1 19 . 1 DC H6 H 7.83 . 1 20 . 2 DT C5' C 67.5 . 1 21 . 2 DT H5' H 4.09 . 2 22 . 2 DT H5'' H 4.08 . 2 23 . 2 DT C4' C 86.7 . 1 24 . 2 DT H4' H 4.26 . 1 25 . 2 DT C3' C 79.9 . 1 26 . 2 DT H3' H 4.89 . 1 27 . 2 DT C2' C 39.4 . 1 28 . 2 DT H2' H 2.28 . 1 29 . 2 DT H2'' H 2.58 . 1 30 . 2 DT C1' C 86.5 . 1 31 . 2 DT H1' H 6.16 . 1 32 . 2 DT N3 N 159.6 . 1 33 . 2 DT H3 H 13.77 . 1 34 . 2 DT C7 C 14.6 . 1 35 . 2 DT C6 C 139.8 . 1 36 . 2 DT H6 H 7.61 . 1 37 . 3 DC C5' C 67.3 . 1 38 . 3 DC H5' H 4.16 . 2 39 . 3 DC H5'' H 4.13 . 2 40 . 3 DC C4' C 85.3 . 1 41 . 3 DC H4' H 4.17 . 1 42 . 3 DC C3' C 77.3 . 1 43 . 3 DC H3' H 4.79 . 1 44 . 3 DC C2' C 39.6 . 1 45 . 3 DC H2' H 2.08 . 1 46 . 3 DC H2'' H 2.47 . 1 47 . 3 DC C1' C 86.6 . 1 48 . 3 DC H1' H 5.97 . 1 49 . 3 DC N4 N 97.3 . 1 50 . 3 DC H41 H 8.4 . 1 51 . 3 DC H42 H 6.97 . 1 52 . 3 DC C5 C 98.8 . 1 53 . 3 DC H5 H 5.66 . 1 54 . 3 DC C6 C 143.7 . 1 55 . 3 DC H6 H 7.59 . 1 56 . 4 DT C5' C 67.2 . 1 57 . 4 DT H5' H 4.1 . 2 58 . 4 DT H5'' H 4.05 . 2 59 . 4 DT C4' C 86.1 . 1 60 . 4 DT H4' H 4.12 . 1 61 . 4 DT C3' C 78.00 . 1 62 . 4 DT H3' H 4.85 . 1 63 . 4 DT C2' C 39.00 . 1 64 . 4 DT H2' H 2.04 . 1 65 . 4 DT H2'' H 2.38 . 1 66 . 4 DT C1' C 85.6 . 1 67 . 4 DT H1' H 5.56 . 1 68 . 4 DT N3 N 158.9 . 1 69 . 4 DT H3 H 13.41 . 1 70 . 4 DT C7 C 14.6 . 1 71 . 4 DT C6 C 139.6 . 1 72 . 4 DT H6 H 7.32 . 1 73 . 5 DA C5' C 68.2 . 1 74 . 5 DA H5' H 4.12 . 2 75 . 5 DA H5'' H 4.04 . 2 76 . 5 DA C4' C 87.4 . 1 77 . 5 DA H4' H 4.37 . 1 78 . 5 DA C3' C 79.5 . 1 79 . 5 DA H3' H 5.02 . 1 80 . 5 DA C2' C 40.7 . 1 81 . 5 DA H2' H 2.72 . 1 82 . 5 DA H2'' H 2.85 . 1 83 . 5 DA C1' C 84.6 . 1 84 . 5 DA H1' H 5.91 . 1 85 . 5 DA C2 C 153.7 . 1 86 . 5 DA H2 H 6.84 . 1 87 . 5 DA N6 N 79.9 . 1 88 . 5 DA C8 C 141.8 . 1 89 . 5 DA H8 H 8.23 . 1 90 . 6 DA C5' C 47.77 . 1 91 . 6 DA H5' H 4.21 . 2 92 . 6 DA H5'' H 4.2 . 2 93 . 6 DA C4' C 86.7 . 1 94 . 6 DA H4' H 4.39 . 1 95 . 6 DA C3' C 78.5 . 1 96 . 6 DA H3' H 4.93 . 1 97 . 6 DA C2' C 41.3 . 1 98 . 6 DA H2' H 2.48 . 1 99 . 6 DA H2'' H 2.8 . 1 100 . 6 DA C1' C 84.9 . 1 101 . 6 DA H1' H 6.07 . 1 102 . 6 DA C2 C 154.4 . 1 103 . 6 DA H2 H 7.5 . 1 104 . 6 DA N6 N 80.6 . 1 105 . 6 DA C8 C 141.00 . 1 106 . 6 DA H8 H 8.06 . 1 107 . 7 DT C5' C 66.6 . 1 108 . 7 DT H5' H 4.21 . 2 109 . 7 DT H5'' H 4.08 . 2 110 . 7 DT C4' C 85.3 . 1 111 . 7 DT H4' H 4.06 . 1 112 . 7 DT C3' C 76.5 . 1 113 . 7 DT H3' H 4.78 . 1 114 . 7 DT C2' C 39.6 . 1 115 . 7 DT H2' H 1.78 . 1 116 . 7 DT H2'' H 2.24 . 1 117 . 7 DT C1' C 85.1 . 1 118 . 7 DT H1' H 5.6 . 1 119 . 7 DT N3 N 158.4 . 1 120 . 7 DT H3 H 13.3 . 1 121 . 7 DT C7 C 14.2 . 1 122 . 7 DT C6 C 137.9 . 1 123 . 7 DT H6 H 6.92 . 1 124 . 8 DG C5' C 68.2 . 1 125 . 8 DG H5' H 4.07 . 2 126 . 8 DG H5'' H 3.99 . 2 127 . 8 DG C4' C 87.2 . 1 128 . 8 DG H4' H 4.3 . 1 129 . 8 DG C3' C 79.3 . 1 130 . 8 DG H3' H 4.93 . 1 131 . 8 DG C2' C 40.5 . 1 132 . 8 DG H2' H 2.56 . 1 133 . 8 DG H2'' H 2.66 . 1 134 . 8 DG C1' C 84.3 . 1 135 . 8 DG H1' H 5.59 . 1 136 . 8 DG N1 N 146.8 . 1 137 . 8 DG H1 H 12.58 . 1 138 . 8 DG C8 C 138.3 . 1 139 . 8 DG H8 H 7.7 . 1 140 . 9 DG C5' C 68.6 . 1 141 . 9 DG H5' H 4.16 . 2 142 . 9 DG H5'' H 4.14 . 2 143 . 9 DG C4' C 87.1 . 1 144 . 9 DG H4' H 4.35 . 1 145 . 9 DG C3' C 79.1 . 1 146 . 9 DG H3' H 4.93 . 1 147 . 9 DG C2' C 41.3 . 1 148 . 9 DG H2' H 2.52 . 1 149 . 9 DG H2'' H 2.64 . 1 150 . 9 DG C1' C 84.5 . 1 151 . 9 DG H1' H 5.84 . 1 152 . 9 DG N2 N 75.1 . 1 153 . 9 DG H21 H 6.71 . 2 154 . 9 DG N1 N 147.1 . 1 155 . 9 DG H1 H 12.76 . 1 156 . 9 DG C8 C 137.4 . 1 157 . 9 DG H8 H 7.64 . 1 158 . 10 DC C5' C 67.4 . 1 159 . 10 DC H5' H 4.2 . 2 160 . 10 DC H5'' H 4.11 . 2 161 . 10 DC C4' C 85.3 . 1 162 . 10 DC H4' H 4.2 . 1 163 . 10 DC C3' C 77.00 . 1 164 . 10 DC H3' H 4.71 . 1 165 . 10 DC C2' C 40.3 . 1 166 . 10 DC H2' H 2.04 . 1 167 . 10 DC H2'' H 2.49 . 1 168 . 10 DC C1' C 86.8 . 1 169 . 10 DC H1' H 5.89 . 1 170 . 10 DC N4 N 96.9 . 1 171 . 10 DC H41 H 7.96 . 1 172 . 10 DC H42 H 6.36 . 1 173 . 10 DC C5 C 98.00 . 1 174 . 10 DC H5 H 5.19 . 1 175 . 10 DC C6 C 142.5 . 1 176 . 10 DC H6 H 7.32 . 1 177 . 11 DT C5' C 67.3 . 1 178 . 11 DT H5' H 4.09 . 2 179 . 11 DT H5'' H 4.08 . 2 180 . 11 DT C4' C 86.2 . 1 181 . 11 DT H4' H 4.19 . 1 182 . 11 DT C3' C 78.6 . 1 183 . 11 DT H3' H 4.85 . 1 184 . 11 DT C2' C 39.3 . 1 185 . 11 DT H2' H 2.17 . 1 186 . 11 DT H2'' H 2.58 . 1 187 . 11 DT C1' C 85.9 . 1 188 . 11 DT H1' H 6.05 . 1 189 . 11 DT N3 N 159.4 . 1 190 . 11 DT H3 H 13.96 . 1 191 . 11 DT C7 C 14.6 . 1 192 . 11 DT C6 C 139.7 . 1 193 . 11 DT H6 H 7.42 . 1 194 . 12 DT C5' C 66.8 . 1 195 . 12 DT H5' H 4.2 . 2 196 . 12 DT H5'' H 4.11 . 2 197 . 12 DT C4' C 85.7 . 1 198 . 12 DT H4' H 4.19 . 1 199 . 12 DT C3' C 77.3 . 1 200 . 12 DT H3' H 4.88 . 1 201 . 12 DT C2' C 39.1 . 1 202 . 12 DT H2' H 2.16 . 1 203 . 12 DT H2'' H 2.59 . 1 204 . 12 DT C1' C 85.6 . 1 205 . 12 DT H1' H 6.12 . 1 206 . 12 DT N3 N 159.4 . 1 207 . 12 DT H3 H 13.92 . 1 208 . 12 DT C7 C 14.6 . 1 209 . 12 DT C6 C 139.8 . 1 210 . 12 DT H6 H 7.47 . 1 211 . 13 DT C5' C 66.4 . 1 212 . 13 DT H5' H 4.22 . 2 213 . 13 DT H5'' H 4.1 . 2 214 . 13 DT C4' C 85.5 . 1 215 . 13 DT H4' H 4.17 . 1 216 . 13 DT C3' C 76.5 . 1 217 . 13 DT H3' H 4.88 . 1 218 . 13 DT C2' C 39.6 . 1 219 . 13 DT H2' H 2.18 . 1 220 . 13 DT H2'' H 2.52 . 1 221 . 13 DT C1' C 85.6 . 1 222 . 13 DT H1' H 6.14 . 1 223 . 13 DT N3 N 159.4 . 1 224 . 13 DT H3 H 13.95 . 1 225 . 13 DT C7 C 14.4 . 1 226 . 13 DT C6 C 140.1 . 1 227 . 13 DT H6 H 7.43 . 1 228 . 14 DC C5' C 66.7 . 1 229 . 14 DC H5' H 4.18 . 2 230 . 14 DC H5'' H 4.07 . 2 231 . 14 DC C4' C 87.00 . 1 232 . 14 DC H4' H 4.01 . 1 233 . 14 DC C3' C 72.00 . 1 234 . 14 DC H3' H 4.56 . 1 235 . 14 DC C2' C 41.5 . 1 236 . 14 DC H2' H 2.27 . 2 237 . 14 DC C1' C 87.1 . 1 238 . 14 DC H1' H 6.24 . 1 239 . 14 DC C5 C 98.8 . 1 240 . 14 DC H5 H 5.76 . 1 241 . 14 DC C6 C 144.6 . 1 242 . 14 DC H6 H 7.6 . 1 stop_ save_