data_5927 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of a Cyclic Polyamide-DNA Complex ; _BMRB_accession_number 5927 _BMRB_flat_file_name bmr5927.str _Entry_type original _Submission_date 2003-08-29 _Accession_date 2003-08-29 _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 Zhang Q. . . 2 Dwyer T. . . 3 Tsui V. . . 4 Case D. . . 5 Cho J. . . 6 Dervan P. B. . 7 Wemmer D. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 197 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-23 original author 'original release' 2010-07-16 update BMRB 'update DNA residue label to two-letter code' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of a Cyclic Polyamide-DNA Complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15212545 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Q. . . 2 Dwyer T. J. . 3 Tsui V. . . 4 Case D. A. . 5 Cho J. . . 6 Dervan P. B. . 7 Wemmer D. E. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 126 _Journal_issue 25 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7958 _Page_last 7966 _Year 2004 _Details . loop_ _Keyword 'Cyclic Polyamide' DNA stop_ save_ ################################## # Molecular system description # ################################## save_system_TGTTA _Saveframe_category molecular_system _Mol_system_name 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3' _Abbreviation_common TGTTA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'strand 1' $TGTTA 'strand 2' $TAACA 'Cyclic Polyamide' $CYE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state duplex _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TGTTA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common TGTTA _Abbreviation_common TGTTA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence GCCTGTTAGCG loop_ _Residue_seq_code _Residue_label 1 DG 2 DC 3 DC 4 DT 5 DG 6 DT 7 DT 8 DA 9 DG 10 DC 11 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_TAACA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common TAACA _Abbreviation_common TAACA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence CGCTAACAGGC loop_ _Residue_seq_code _Residue_label 1 DC 2 DG 3 DC 4 DT 5 DA 6 DA 7 DC 8 DA 9 DG 10 DG 11 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CYE _Saveframe_category ligand _Mol_type non-polymer _Name_common "CYE (45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE)" _BMRB_code . _PDB_code CYE _Molecular_mass 948.021 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 15:46:54 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N16 N16 N . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C39 C39 C . 0 . ? N14 N14 N . 0 . ? C38 C38 C . 0 . ? C36 C36 C . 0 . ? N13 N13 N . 0 . ? C35 C35 C . 0 . ? O7 O7 O . 0 . ? C34 C34 C . 0 . ? C31 C31 C . 0 . ? C30 C30 C . 0 . ? N11 N11 N . 0 . ? C29 C29 C . 0 . ? O6 O6 O . 0 . ? C28 C28 C . 0 . ? C25 C25 C . 0 . ? C24 C24 C . 0 . ? N9 N9 N . 0 . ? C23 C23 C . 0 . ? O5 O5 O . 0 . ? C41 C41 C . 0 . ? C21 C21 C . 0 . ? C20 C20 C . 0 . ? N8 N8 N . 0 . ? C22 C22 C . 0 . ? O4 O4 O . 0 . ? C19 C19 C . 0 . ? C16 C16 C . 0 . ? C15 C15 C . 0 . ? N6 N6 N . 0 . ? C14 C14 C . 0 . ? O3 O3 O . 0 . ? C13 C13 C . 0 . ? C10 C10 C . 0 . ? C9 C9 C . 0 . ? N4 N4 N . 0 . ? C8 C8 C . 0 . ? O2 O2 O . 0 . ? C7 C7 C . 0 . ? N2 N2 N . 0 . ? C4 C4 C . 0 . ? N15 N15 N . 0 . ? C44 C44 C . 0 . ? O8 O8 O . 0 . ? C45 C45 C . 0 . ? C43 C43 C . 0 . ? C42 C42 C . 0 . ? N1 N1 N . 0 . ? C1 C1 C . 0 . ? O1 O1 O . 0 . ? C40 C40 C . 0 . ? C37 C37 C . 0 . ? C5 C5 C . 0 . ? N3 N3 N . 0 . ? C6 C6 C . 0 . ? C11 C11 C . 0 . ? N5 N5 N . 0 . ? C12 C12 C . 0 . ? C17 C17 C . 0 . ? N7 N7 N . 0 . ? C18 C18 C . 0 . ? C26 C26 C . 0 . ? N10 N10 N . 1 . ? C27 C27 C . 0 . ? C32 C32 C . 0 . ? N12 N12 N . 0 . ? C33 C33 C . 0 . ? H55 H55 H . 0 . ? H56 H56 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H43 H43 H . 0 . ? H44 H44 H . 0 . ? H42 H42 H . 0 . ? H40 H40 H . 0 . ? H35 H35 H . 0 . ? H34 H34 H . 0 . ? H29 H29 H . 0 . ? H28 H28 H . 0 . ? H45 H45 H . 0 . ? H46 H46 H . 0 . ? H26 H26 H . 0 . ? H27 H27 H . 0 . ? H24 H24 H . 0 . ? H25 H25 H . 0 . ? H23 H23 H . 0 . ? H17 H17 H . 0 . ? H16 H16 H . 0 . ? H11 H11 H . 0 . ? H10 H10 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H53 H53 H . 0 . ? H49 H49 H . 0 . ? H50 H50 H . 0 . ? H47 H47 H . 0 . ? H48 H48 H . 0 . ? H1 H1 H . 0 . ? H41 H41 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H14 H14 H . 0 . ? H15 H15 H . 0 . ? H18 H18 H . 0 . ? H19 H19 H . 0 . ? H20 H20 H . 0 . ? H22 H22 H . 0 . ? H30 H30 H . 0 . ? H21 H21 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H33 H33 H . 0 . ? H36 H36 H . 0 . ? H37 H37 H . 0 . ? H38 H38 H . 0 . ? H39 H39 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 N16 C2 ? ? SING N16 H55 ? ? SING N16 H56 ? ? SING C2 C3 ? ? SING C2 H2 ? ? SING C2 H3 ? ? SING C3 C39 ? ? SING C3 H4 ? ? SING C3 H5 ? ? SING C39 N14 ? ? SING C39 H43 ? ? SING C39 H44 ? ? SING N14 C38 ? ? SING N14 C40 ? ? DOUB C38 C36 ? ? SING C38 H42 ? ? SING C36 N13 ? ? SING C36 C37 ? ? SING N13 C35 ? ? SING N13 H40 ? ? DOUB C35 O7 ? ? SING C35 C34 ? ? DOUB C34 C31 ? ? SING C34 N12 ? ? SING C31 C30 ? ? SING C31 H35 ? ? SING C30 N11 ? ? DOUB C30 C32 ? ? SING N11 C29 ? ? SING N11 H34 ? ? DOUB C29 O6 ? ? SING C29 C28 ? ? DOUB C28 C25 ? ? SING C28 N10 ? ? SING C25 C24 ? ? SING C25 H29 ? ? SING C24 N9 ? ? DOUB C24 C26 ? ? SING N9 C23 ? ? SING N9 H28 ? ? DOUB C23 O5 ? ? SING C23 C41 ? ? SING C41 C21 ? ? SING C41 H45 ? ? SING C41 H46 ? ? SING C21 C20 ? ? SING C21 H26 ? ? SING C21 H27 ? ? SING C20 N8 ? ? SING C20 H24 ? ? SING C20 H25 ? ? SING N8 C22 ? ? SING N8 H23 ? ? DOUB C22 O4 ? ? SING C22 C19 ? ? DOUB C19 C16 ? ? SING C19 N7 ? ? SING C16 C15 ? ? SING C16 H17 ? ? SING C15 N6 ? ? DOUB C15 C17 ? ? SING N6 C14 ? ? SING N6 H16 ? ? DOUB C14 O3 ? ? SING C14 C13 ? ? DOUB C13 C10 ? ? SING C13 N5 ? ? SING C10 C9 ? ? SING C10 H11 ? ? SING C9 N4 ? ? DOUB C9 C11 ? ? SING N4 C8 ? ? SING N4 H10 ? ? DOUB C8 O2 ? ? SING C8 C7 ? ? DOUB C7 N2 ? ? SING C7 N3 ? ? SING N2 C4 ? ? SING C4 N15 ? ? DOUB C4 C5 ? ? SING N15 C44 ? ? SING N15 H51 ? ? DOUB C44 O8 ? ? SING C44 C45 ? ? SING C45 C43 ? ? SING C45 H52 ? ? SING C45 H53 ? ? SING C43 C42 ? ? SING C43 H49 ? ? SING C43 H50 ? ? SING C42 N1 ? ? SING C42 H47 ? ? SING C42 H48 ? ? SING N1 C1 ? ? SING N1 H1 ? ? DOUB C1 O1 ? ? SING C1 C40 ? ? DOUB C40 C37 ? ? SING C37 H41 ? ? SING C5 N3 ? ? SING C5 H6 ? ? SING N3 C6 ? ? SING C6 H7 ? ? SING C6 H8 ? ? SING C6 H9 ? ? SING C11 N5 ? ? SING C11 H12 ? ? SING N5 C12 ? ? SING C12 H13 ? ? SING C12 H14 ? ? SING C12 H15 ? ? SING C17 N7 ? ? SING C17 H18 ? ? SING N7 C18 ? ? SING C18 H19 ? ? SING C18 H20 ? ? SING C18 H22 ? ? SING C26 N10 ? ? SING C26 H30 ? ? SING N10 C27 ? ? SING N10 H21 ? ? SING C27 H31 ? ? SING C27 H32 ? ? SING C27 H33 ? ? SING C32 N12 ? ? SING C32 H36 ? ? SING N12 C33 ? ? SING C33 H37 ? ? SING C33 H38 ? ? SING C33 H39 ? ? 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 $TGTTA . . . . . . $TAACA . . . . . . 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 $TGTTA 'chemical synthesis' . . . . . $TAACA 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; The cyclic polyamide was synthesized as in ref(Cho, 1995) The duplex DNA were synthesized using the phosphite triester method on an Applied Biosystems 381A synthesizer and purified by HPLC(Pelton and Wemmer, 1989) ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TGTTA . mM 1 2.5 . $TAACA . mM 1 2.5 . EDTA 0.1 mM . . . 'sodium phosphate' 10 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2.3 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model . _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $sample_1 save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 n/a temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label H2O H 1 protons ppm 4.78 internal direct cylindrical internal parallel 1 $entry_citation $entry_citation 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'strand 1' _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 H8 H 7.99 . 1 2 . 1 DG H1' H 6.04 . 1 3 . 1 DG H2'' H 2.81 . 1 4 . 1 DG H2' H 2.7 . 1 5 . 1 DG H3' H 4.85 . 1 6 . 1 DG H4' H 4.26 . 1 7 . 1 DG H5'' H 3.77 . 1 8 . 1 DG H5' H 3.77 . 1 9 . 2 DC H6 H 7.57 . 1 10 . 2 DC H5 H 5.4 . 1 11 . 2 DC H1' H 6.19 . 1 12 . 2 DC H2'' H 2.63 . 1 13 . 2 DC H2' H 2.29 . 1 14 . 2 DC H3' H 4.92 . 1 15 . 2 DC H4' H 4.33 . 1 16 . 2 DC H5'' H 4.19 . 1 17 . 2 DC H5' H 4.19 . 1 18 . 3 DC H6 H 7.63 . 1 19 . 3 DC H5 H 5.64 . 1 20 . 3 DC H1' H 6.05 . 1 21 . 3 DC H2'' H 2.63 . 1 22 . 3 DC H2' H 2.14 . 1 23 . 3 DC H3' H 4.88 . 1 24 . 3 DC H4' H 4.21 . 1 25 . 3 DC H5'' H 4.17 . 1 26 . 3 DC H5' H 4.23 . 1 27 . 4 DT H6 H 7.56 . 1 28 . 4 DT H71 H 1.75 . 1 29 . 4 DT H72 H 1.75 . 1 30 . 4 DT H73 H 1.75 . 1 31 . 4 DT H1' H 5.76 . 1 32 . 4 DT H2'' H 2.54 . 1 33 . 4 DT H2' H 2.43 . 1 34 . 4 DT H3' H 4.96 . 1 35 . 4 DT H5'' H 3.93 . 1 36 . 4 DT H5' H 4.21 . 1 37 . 5 DG H8 H 8.08 . 1 38 . 5 DG H1' H 5.94 . 1 39 . 5 DG H2'' H 2.78 . 1 40 . 5 DG H2' H 2.58 . 1 41 . 5 DG H3' H 5.05 . 1 42 . 5 DG H4' H 4.36 . 1 43 . 5 DG H5'' H 4.04 . 1 44 . 5 DG H5' H 4.15 . 1 45 . 6 DT H6 H 7.18 . 1 46 . 6 DT H71 H 1.43 . 1 47 . 6 DT H72 H 1.43 . 1 48 . 6 DT H73 H 1.43 . 1 49 . 6 DT H1' H 5.4 . 1 50 . 6 DT H2'' H 2.41 . 1 51 . 6 DT H2' H 1.6 . 1 52 . 6 DT H3' H 4.59 . 1 53 . 6 DT H4' H 2 . 1 54 . 6 DT H5'' H 3.67 . 1 55 . 6 DT H5' H 3.88 . 1 56 . 7 DT H6 H 7.1 . 1 57 . 7 DT H71 H 1.7 . 1 58 . 7 DT H72 H 1.7 . 1 59 . 7 DT H73 H 1.7 . 1 60 . 7 DT H1' H 5.43 . 1 61 . 7 DT H2'' H 2.44 . 1 62 . 7 DT H2' H 1.73 . 1 63 . 7 DT H3' H 4.55 . 1 64 . 7 DT H4' H 2.29 . 1 65 . 7 DT H5'' H 3.47 . 1 66 . 7 DT H5' H 3.75 . 1 67 . 8 DA H8 H 8.16 . 1 68 . 8 DA H2 H 7.37 . 1 69 . 8 DA H1' H 5.46 . 1 70 . 8 DA H2'' H 2.36 . 1 71 . 8 DA H2' H 2.24 . 1 72 . 8 DA H3' H 4.68 . 1 73 . 8 DA H4' H 2.53 . 1 74 . 8 DA H5'' H 3.75 . 1 75 . 8 DA H5' H 3.46 . 1 76 . 9 DG H8 H 7.53 . 1 77 . 9 DG H1' H 5.57 . 1 78 . 9 DG H2'' H 2.49 . 1 79 . 9 DG H2' H 2.37 . 1 80 . 9 DG H3' H 4.86 . 1 81 . 9 DG H4' H 4.22 . 1 82 . 9 DG H5'' H 3.6 . 1 83 . 9 DG H5' H 3.74 . 1 84 . 10 DC H6 H 7.27 . 1 85 . 10 DC H5 H 5.28 . 1 86 . 10 DC H1' H 5.76 . 1 87 . 10 DC H2'' H 2.32 . 1 88 . 10 DC H2' H 1.89 . 1 89 . 10 DC H3' H 4.8 . 1 90 . 10 DC H4' H 4.13 . 1 91 . 10 DC H5'' H 4.08 . 1 92 . 10 DC H5' H 4.14 . 1 93 . 11 DG H8 H 7.92 . 1 94 . 11 DG H1' H 6.14 . 1 95 . 11 DG H2'' H 2.6 . 1 96 . 11 DG H2' H 2.36 . 1 97 . 11 DG H3' H 4.66 . 1 98 . 11 DG H4' H 4.17 . 1 99 . 11 DG H5'' H 4.17 . 1 100 . 11 DG H5' H 4.07 . 1 stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'strand 2' _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 H6 H 7.64 . 1 2 . 1 DC H5 H 5.89 . 1 3 . 1 DC H1' H 5.8 . 1 4 . 1 DC H2'' H 2.44 . 1 5 . 1 DC H2' H 2 . 1 6 . 1 DC H3' H 4.72 . 1 7 . 1 DC H4' H 4.08 . 1 8 . 1 DC H5'' H 3.73 . 1 9 . 1 DC H5' H 4.08 . 1 10 . 2 DG H8 H 7.99 . 1 11 . 2 DG H1' H 5.97 . 1 12 . 2 DG H2'' H 2.8 . 1 13 . 2 DG H2' H 2.71 . 1 14 . 2 DG H3' H 5.01 . 1 15 . 2 DG H4' H 4.38 . 1 16 . 2 DG H5'' H 4.11 . 1 17 . 2 DG H5' H 4 . 1 18 . 3 DC H6 H 7.46 . 1 19 . 3 DC H5 H 5.41 . 1 20 . 3 DC H1' H 6.02 . 1 21 . 3 DC H2'' H 2.57 . 1 22 . 3 DC H2' H 2.14 . 1 23 . 3 DC H3' H 4.8 . 1 24 . 3 DC H4' H 4.26 . 1 25 . 3 DC H5'' H 3.99 . 1 26 . 3 DC H5' H 4.07 . 1 27 . 4 DT H6 H 7.44 . 1 28 . 4 DT H71 H 1.78 . 1 29 . 4 DT H72 H 1.78 . 1 30 . 4 DT H73 H 1.78 . 1 31 . 4 DT H1' H 5.59 . 1 32 . 4 DT H2'' H 2.32 . 1 33 . 4 DT H2' H 2.06 . 1 34 . 4 DT H3' H 4.89 . 1 35 . 4 DT H4' H 4.01 . 1 36 . 4 DT H5'' H 4 . 1 37 . 4 DT H5' H 3.93 . 1 38 . 5 DA H8 H 8.37 . 1 39 . 5 DA H2 H 7.82 . 1 40 . 5 DA H1' H 5.41 . 1 41 . 5 DA H2'' H 2.81 . 1 42 . 5 DA H2' H 2.71 . 1 43 . 5 DA H3' H 4.96 . 1 44 . 5 DA H4' H 4.9 . 1 45 . 5 DA H5' H 4.05 . 1 46 . 6 DA H8 H 8.03 . 1 47 . 6 DA H2 H 8.1 . 1 48 . 6 DA H1' H 5.43 . 1 49 . 6 DA H2'' H 2.62 . 1 50 . 6 DA H2' H 2.08 . 1 51 . 6 DA H3' H 4.72 . 1 52 . 6 DA H4' H 2.78 . 1 53 . 6 DA H5'' H 3.55 . 1 54 . 6 DA H5' H 3.71 . 1 55 . 7 DC H6 H 6.85 . 1 56 . 7 DC H5 H 5.21 . 1 57 . 7 DC H1' H 5.23 . 1 58 . 7 DC H2'' H 2.18 . 1 59 . 7 DC H2' H 1.36 . 1 60 . 7 DC H3' H 4.49 . 1 61 . 7 DC H4' H 1.86 . 1 62 . 7 DC H5'' H 3.75 . 1 63 . 7 DC H5' H 3.54 . 1 64 . 8 DA H8 H 8.02 . 1 65 . 8 DA H2 H 7.55 . 1 66 . 8 DA H1' H 5.42 . 1 67 . 8 DA H2'' H 2.48 . 1 68 . 8 DA H2' H 2.22 . 1 69 . 8 DA H3' H 4.67 . 1 70 . 8 DA H4' H 3.79 . 1 71 . 8 DA H5'' H 3.34 . 1 72 . 8 DA H5' H 3.63 . 1 73 . 9 DG H8 H 7.5 . 1 74 . 9 DG H1' H 5.29 . 1 75 . 9 DG H2'' H 2.49 . 1 76 . 9 DG H2' H 2.39 . 1 77 . 9 DG H3' H 4.87 . 1 78 . 9 DG H4' H 4.22 . 1 79 . 9 DG H5'' H 3.66 . 1 80 . 9 DG H5' H 3.98 . 1 81 . 10 DG H8 H 7.62 . 1 82 . 10 DG H1' H 5.97 . 1 83 . 10 DG H2'' H 2.69 . 1 84 . 10 DG H2' H 2.45 . 1 85 . 10 DG H3' H 4.89 . 1 86 . 10 DG H4' H 4.38 . 1 87 . 10 DG H5'' H 3.56 . 1 88 . 10 DG H5' H 3.99 . 1 89 . 11 DC H6 H 7.43 . 1 90 . 11 DC H5 H 5.34 . 1 91 . 11 DC H1' H 6.18 . 1 92 . 11 DC H2'' H 2.15 . 1 93 . 11 DC H2' H 2.15 . 1 94 . 11 DC H3' H 4.5 . 1 95 . 11 DC H4' H 4.05 . 1 96 . 11 DC H5'' H 4.01 . 1 97 . 11 DC H5' H 4.07 . 1 stop_ save_