data_27144 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DNA with compounds ; _BMRB_accession_number 27144 _BMRB_flat_file_name bmr27144.str _Entry_type original _Submission_date 2017-06-16 _Accession_date 2017-06-16 _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 Chen Xiang . . 2 Walters Kylie J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-12 original BMRB . stop_ _Original_release_date 2017-06-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; DNA with compounds ; _Citation_status published _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 Chen Xiang . . 2 Walters Kylie J. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 9 _Journal_issue 4229 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'c-Myc Pu22' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'c-Myc Pu22' $c-Myc_Pu22 'DC34, 1' $entity_9WP 'DC34, 2' $entity_9WP 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_c-Myc_Pu22 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common c-Myc_Pu22 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; TGAGGGTGGGTAGGGTGGGT AA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 4 DT 2 5 DG 3 6 DA 4 7 DG 5 8 DG 6 9 DG 7 10 DT 8 11 DG 9 12 DG 10 13 DG 11 14 DT 12 15 DA 13 16 DG 14 17 DG 15 18 DG 16 19 DT 17 20 DG 18 21 DG 19 22 DG 20 23 DT 21 24 DA 22 25 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_9WP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide _BMRB_code 9WP _PDB_code 9WP _Molecular_mass 446.462 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? N1 N1 N . 0 . ? O1 O1 O . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? O2 O2 O . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? F1 F1 F . 0 . ? F2 F2 F . 0 . ? F3 F3 F . 0 . ? H11 H11 H . 0 . ? H17 H17 H . 0 . ? H14 H14 H . 0 . ? H2 H2 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? H54 H54 H . 0 . ? H18 H18 H . 0 . ? H53 H53 H . 0 . ? H19 H19 H . 0 . ? H55 H55 H . 0 . ? H20 H20 H . 0 . ? H56 H56 H . 0 . ? H21 H21 H . 0 . ? H57 H57 H . 0 . ? H58 H58 H . 0 . ? H22 H22 H . 0 . ? H59 H59 H . 0 . ? H23 H23 H . 0 . ? H24 H24 H . 0 . ? H6A H6A 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 F3 C17 ? ? DOUB O3 C10 ? ? SING C5 C4 ? ? SING C5 N2 ? ? SING C17 F1 ? ? SING C17 C11 ? ? SING C17 F2 ? ? SING O1 C3 ? ? DOUB C12 C11 ? ? SING C12 C13 ? ? SING C11 C16 ? ? DOUB C4 C3 ? ? SING C4 C8 ? ? SING C3 C2 ? ? SING C19 N2 ? ? SING C19 C20 ? ? DOUB C13 C14 ? ? SING N2 C24 ? ? SING C10 C7 ? ? SING C10 N1 ? ? SING C24 C23 ? ? SING C8 C7 ? ? DOUB C8 C9 ? ? DOUB C16 C15 ? ? DOUB C2 C1 ? ? SING C14 C15 ? ? SING C14 N1 ? ? DOUB C7 C6 ? ? SING C9 C1 ? ? SING C9 O2 ? ? SING C20 C21 ? ? SING C6 O2 ? ? SING C6 C18 ? ? SING C23 C22 ? ? SING C22 C21 ? ? SING C1 H11 ? ? SING N1 H17 ? ? SING O1 H14 ? ? SING C2 H2 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C12 H12 ? ? SING C13 H13 ? ? SING C15 H15 ? ? SING C16 H16 ? ? SING C18 H54 ? ? SING C18 H18 ? ? SING C18 H53 ? ? SING C19 H19 ? ? SING C19 H55 ? ? SING C20 H20 ? ? SING C20 H56 ? ? SING C21 H21 ? ? SING C21 H57 ? ? SING C22 H58 ? ? SING C22 H22 ? ? SING C23 H59 ? ? SING C23 H23 ? ? SING C24 H24 ? ? SING C24 H6A ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $c-Myc_Pu22 Human 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 $c-Myc_Pu22 'obtained from a collaborator' . . . . . 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 $c-Myc_Pu22 0.3 mM 'natural abundance' Tris 25 mM D11 'potassium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-Myc_Pu22 .125 mM 'natural abundance' DC34 .25 mM 'natural abundance' Tris 25 mM D11 'potassium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-Myc_Pu22 .25 mM 'natural abundance' DC34 .5 mM 'natural abundance' Tris 25 mM D11 'potassium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-Myc_Pu22 .25 mM 'natural abundance' DC34 .5 mM 'selective 13C-labeling' Tris 25 mM D11 'potassium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DC34 0.5 mM 'natural abundance' Tris 25 mM D11 'potassium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $c-Myc_Pu22 .1 mM . . 'natural abundance' DC34 . mM 0 .6 'natural abundance' Tris 25 mM . . D11 'potassium chloride' 50 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5pl5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 8.9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_MestReNova _Saveframe_category software _Name MestReNova _Version 11.0 loop_ _Vendor _Address _Electronic_address 'Mestrelab Research' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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 $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_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_3 save_ save_3D_13C_half-filtered_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C half-filtered NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_5 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HMBC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMBC' _Sample_label $sample_5 save_ save_1D_1H_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_6 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' 50 . mM pH 6.4 . pH pressure 1 . atm temperature 298.2 . 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_ _Software_label $TOPSPIN $NMRPipe $XEASY $MestReNova stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '3D 13C half-filtered NOESY' '2D 1H-13C HSQC' '2D 1H-13C HMBC' '1D 1H' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'c-Myc Pu22' _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 4 1 DT H1' H 5.841 0 1 2 4 1 DT H2' H 1.613 0.002 2 3 4 1 DT H2'' H 2.059 0.001 2 4 4 1 DT H3' H 4.458 0 1 5 4 1 DT H4' H 3.839 0 1 6 4 1 DT H5' H 3.491 0 2 7 4 1 DT H5'' H 3.491 0 2 8 4 1 DT H6 H 7.261 0 1 9 4 1 DT H71 H 1.689 0 2 10 4 1 DT H72 H 1.689 0 2 11 4 1 DT H73 H 1.689 0 2 12 5 2 DG H1' H 5.63 0 1 13 5 2 DG H2' H 2.393 0.004 2 14 5 2 DG H2'' H 2.34 0.002 2 15 5 2 DG H3' H 4.748 0 1 16 5 2 DG H4' H 4.093 0 1 17 5 2 DG H5' H 3.825 0.003 2 18 5 2 DG H5'' H 3.749 0.003 2 19 5 2 DG H8 H 7.607 0.002 1 20 6 3 DA H1' H 6.071 0.001 1 21 6 3 DA H2 H 7.789 0.001 1 22 6 3 DA H2' H 2.686 0.001 2 23 6 3 DA H2'' H 2.619 0.001 2 24 6 3 DA H3' H 4.954 0 1 25 6 3 DA H4' H 4.186 0.001 1 26 6 3 DA H5' H 3.965 0.001 2 27 6 3 DA H5'' H 3.857 0.002 2 28 6 3 DA H8 H 8.119 0.001 1 29 7 4 DG H1 H 11.667 0.002 1 30 7 4 DG H1' H 6.075 0.001 1 31 7 4 DG H2' H 3.005 0.002 2 32 7 4 DG H2'' H 2.738 0.002 2 33 7 4 DG H3' H 5.003 0.002 1 34 7 4 DG H4' H 4.478 0.003 1 35 7 4 DG H5' H 4.179 0.002 2 36 7 4 DG H5'' H 4.133 0.002 2 37 7 4 DG H8 H 8.042 0.001 1 38 8 5 DG H1 H 11.233 0 1 39 8 5 DG H1' H 6.157 0.001 1 40 8 5 DG H2' H 2.931 0.001 2 41 8 5 DG H2'' H 2.645 0 2 42 8 5 DG H3' H 5.031 0.002 1 43 8 5 DG H4' H 4.542 0.001 1 44 8 5 DG H5' H 4.305 0.001 2 45 8 5 DG H5'' H 4.305 0.001 2 46 8 5 DG H8 H 7.728 0.001 1 47 9 6 DG H1 H 10.819 0.002 1 48 9 6 DG H1' H 6.38 0.001 1 49 9 6 DG H2' H 2.727 0.001 2 50 9 6 DG H2'' H 2.56 0.001 2 51 9 6 DG H3' H 5.139 0.002 1 52 9 6 DG H4' H 4.606 0.002 1 53 9 6 DG H5' H 4.376 0.001 2 54 9 6 DG H5'' H 4.307 0 2 55 9 6 DG H8 H 7.748 0.002 1 56 10 7 DT H1' H 6.536 0.001 1 57 10 7 DT H2' H 2.676 0 2 58 10 7 DT H2'' H 2.487 0.001 2 59 10 7 DT H3' H 5.118 0.002 1 60 10 7 DT H4' H 4.61 0.002 1 61 10 7 DT H5' H 4.344 0.001 2 62 10 7 DT H5'' H 4.285 0.002 2 63 10 7 DT H6 H 7.889 0 1 64 10 7 DT H71 H 2.003 0.001 2 65 10 7 DT H72 H 2.003 0.001 2 66 10 7 DT H73 H 2.003 0.001 2 67 11 8 DG H1 H 11.639 0.003 1 68 11 8 DG H1' H 6.12 0 1 69 11 8 DG H2' H 2.91 0.002 2 70 11 8 DG H2'' H 2.465 0.002 2 71 11 8 DG H3' H 5.116 0.001 1 72 11 8 DG H4' H 4.461 0.001 1 73 11 8 DG H5' H 4.34 0.001 2 74 11 8 DG H5'' H 4.251 0.001 2 75 11 8 DG H8 H 7.987 0.001 1 76 12 9 DG H1 H 11.47 0.001 1 77 12 9 DG H1' H 6.126 0.001 1 78 12 9 DG H2' H 2.84 0.001 2 79 12 9 DG H2'' H 2.64 0.001 2 80 12 9 DG H3' H 5.064 0 1 81 12 9 DG H4' H 4.426 0 1 82 12 9 DG H5' H 4.252 0.001 2 83 12 9 DG H5'' H 4.187 0.001 2 84 12 9 DG H8 H 7.889 0.001 1 85 13 10 DG H1 H 11.132 0.002 1 86 13 10 DG H1' H 6.381 0 1 87 13 10 DG H2' H 2.737 0 2 88 13 10 DG H2'' H 2.565 0 2 89 13 10 DG H3' H 5.043 0.003 1 90 13 10 DG H4' H 4.505 0.002 1 91 13 10 DG H5' H 4.285 0.001 2 92 13 10 DG H5'' H 4.285 0.001 2 93 13 10 DG H8 H 7.846 0.001 1 94 14 11 DT H1' H 6.266 0.001 1 95 14 11 DT H2' H 2.464 0.001 2 96 14 11 DT H2'' H 2.253 0 2 97 14 11 DT H3' H 4.738 0 1 98 14 11 DT H4' H 3.903 0.001 1 99 14 11 DT H5' H 3.771 0.001 2 100 14 11 DT H5'' H 3.771 0.001 2 101 14 11 DT H6 H 7.689 0.001 1 102 14 11 DT H71 H 1.943 0.003 2 103 14 11 DT H72 H 1.943 0.003 2 104 14 11 DT H73 H 1.943 0.003 2 105 15 12 DA H1' H 6.677 0 1 106 15 12 DA H2 H 8.369 0.001 1 107 15 12 DA H2' H 3.088 0.001 2 108 15 12 DA H2'' H 2.961 0.001 2 109 15 12 DA H3' H 5.182 0.001 1 110 15 12 DA H4' H 4.595 0.002 1 111 15 12 DA H5' H 4.293 0.004 2 112 15 12 DA H5'' H 4.202 0.003 2 113 15 12 DA H8 H 8.57 0 1 114 16 13 DG H1 H 11.831 0.003 1 115 16 13 DG H1' H 6.135 0.001 1 116 16 13 DG H2' H 2.971 0.002 2 117 16 13 DG H2'' H 2.613 0.002 2 118 16 13 DG H3' H 5.035 0.001 1 119 16 13 DG H4' H 4.46 0.003 1 120 16 13 DG H5' H 4.27 0.001 2 121 16 13 DG H5'' H 4.159 0.002 2 122 16 13 DG H8 H 8.081 0 1 123 17 14 DG H1 H 11.235 0.001 1 124 17 14 DG H1' H 6.19 0.002 1 125 17 14 DG H2' H 2.959 0.002 2 126 17 14 DG H2'' H 2.654 0 2 127 17 14 DG H3' H 5.026 0.002 1 128 17 14 DG H4' H 4.538 0.002 1 129 17 14 DG H5' H 4.248 0.003 2 130 17 14 DG H5'' H 4.207 0.001 2 131 17 14 DG H8 H 7.782 0.002 1 132 18 15 DG H1 H 10.959 0.001 1 133 18 15 DG H1' H 6.406 0.001 1 134 18 15 DG H2' H 2.72 0 2 135 18 15 DG H2'' H 2.566 0.003 2 136 18 15 DG H3' H 5.138 0.003 1 137 18 15 DG H4' H 4.612 0.002 1 138 18 15 DG H5' H 4.378 0.002 2 139 18 15 DG H5'' H 4.317 0.002 2 140 18 15 DG H8 H 7.784 0.001 1 141 19 16 DT H1' H 6.536 0 1 142 19 16 DT H2' H 2.643 0 2 143 19 16 DT H2'' H 2.48 0 2 144 19 16 DT H3' H 5.115 0 1 145 19 16 DT H4' H 4.608 0.003 1 146 19 16 DT H5' H 4.332 0.002 2 147 19 16 DT H5'' H 4.274 0 2 148 19 16 DT H6 H 7.885 0 1 149 19 16 DT H71 H 1.99 0.002 2 150 19 16 DT H72 H 1.99 0.002 2 151 19 16 DT H73 H 1.99 0.002 2 152 20 17 DG H1 H 11.326 0.002 1 153 20 17 DG H1' H 5.959 0 1 154 20 17 DG H2' H 2.799 0.002 2 155 20 17 DG H2'' H 2.366 0.003 2 156 20 17 DG H3' H 5.096 0 1 157 20 17 DG H4' H 4.439 0.001 1 158 20 17 DG H5' H 4.323 0.002 2 159 20 17 DG H5'' H 4.265 0.003 2 160 20 17 DG H8 H 7.901 0.001 1 161 21 18 DG H1 H 11.357 0.001 1 162 21 18 DG H1' H 6.042 0 1 163 21 18 DG H2' H 2.752 0 2 164 21 18 DG H2'' H 2.68 0.001 2 165 21 18 DG H3' H 5.088 0.001 1 166 21 18 DG H4' H 4.524 0.003 1 167 21 18 DG H5' H 4.243 0 2 168 21 18 DG H5'' H 4.175 0.001 2 169 21 18 DG H8 H 7.904 0.003 1 170 22 19 DG H1 H 11.036 0.001 1 171 22 19 DG H1' H 6.209 0.001 1 172 22 19 DG H2' H 2.603 0.002 2 173 22 19 DG H2'' H 2.549 0.002 2 174 22 19 DG H3' H 5.037 0.002 1 175 22 19 DG H4' H 4.528 0.001 1 176 22 19 DG H5' H 4.31 0.001 2 177 22 19 DG H5'' H 4.242 0 2 178 22 19 DG H8 H 7.661 0.002 1 179 23 20 DT H1' H 5.941 0.001 1 180 23 20 DT H2' H 2.23 0.002 2 181 23 20 DT H2'' H 1.83 0 2 182 23 20 DT H3' H 4.773 0 1 183 23 20 DT H4' H 4.199 0 1 184 23 20 DT H5' H 4.123 0.001 2 185 23 20 DT H5'' H 4.081 0.002 2 186 23 20 DT H6 H 7.328 0 1 187 23 20 DT H71 H 1.722 0.001 2 188 23 20 DT H72 H 1.722 0.001 2 189 23 20 DT H73 H 1.722 0.001 2 190 24 21 DA H1' H 5.902 0.001 1 191 24 21 DA H2 H 7.606 0 1 192 24 21 DA H2' H 2.484 0.002 2 193 24 21 DA H2'' H 2.297 0.002 2 194 24 21 DA H3' H 4.755 0.001 1 195 24 21 DA H4' H 4.198 0.001 1 196 24 21 DA H5' H 3.915 0 2 197 24 21 DA H5'' H 3.883 0 2 198 24 21 DA H8 H 8.019 0.001 1 199 25 22 DA H1' H 5.942 0.001 1 200 25 22 DA H2 H 7.658 0 1 201 25 22 DA H2' H 2.406 0 2 202 25 22 DA H2'' H 2.341 0.003 2 203 25 22 DA H3' H 4.54 0.003 1 204 25 22 DA H4' H 4 0 1 205 25 22 DA H5' H 3.896 0.001 2 206 25 22 DA H5'' H 3.807 0 2 207 25 22 DA H8 H 7.934 0.001 1 stop_ save_