data_34244 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Concerted dynamics of metallo-base pairs in an A/B-form helical transition (major species) ; _BMRB_accession_number 34244 _BMRB_flat_file_name bmr34244.str _Entry_type original _Submission_date 2018-03-11 _Accession_date 2018-03-11 _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 Schmidt O. P. . 2 Jurt S. . . 3 Johannsen S. . . 4 Karimi A. . . 5 Sigel R. K.O. . 6 Luedtke N. W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 292 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-05 update author 'update entry citation.' 2019-10-18 update author 'update entry citation, etc.' 2019-10-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 34245 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (minor species)' 34398 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species)' stop_ _Original_release_date 2018-07-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Concerted dynamics of metallo-base pairs in an A/B-form helical transition ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31645548 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schmidt O. P. . 2 Jurt S. . . 3 Johannsen S. . . 4 Karimi A. . . 5 Sigel R. K.O. . 6 Luedtke N. W. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4818 _Page_last 4818 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_major" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 'entity_2, 1' $entity_HG 'entity_2, 2' $entity_HG stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common "DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_major" _Molecular_mass 4255.778 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 14 _Mol_residue_sequence ; CGTCTCATGATACG ; loop_ _Residue_seq_code _Residue_label 1 DC 2 DG 3 DT 4 DC 5 DT 6 DC 7 DA 8 DT 9 DG 10 DA 11 DT 12 DA 13 DC 14 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_HG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'MERCURY (II) ION' _BMRB_code HG _PDB_code HG _Molecular_mass 200.590 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons HG HG HG . 2 . ? 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 $entity_1 . 32630 . . . . 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.4 mM polydeoxyribonucleotide, 1.2 mM MERCURY (II) ION, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling polydeoxyribonucleotide 0.4 mM none $entity_HG 1.2 mM none stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.4 mM polydeoxyribonucleotide, 1.2 mM MERCURY (II) ION, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling polydeoxyribonucleotide 0.4 mM none $entity_HG 1.2 mM none stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 4.0.0.b.16 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name XPLOR_NIH _Version 2.46 loop_ _Vendor _Address _Electronic_address 'G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name XPLOR-NIH _Version 2.46 loop_ _Vendor _Address _Electronic_address 'G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _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_2 save_ save_2D_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 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 7.75 . pH pressure 1 . atm temperature 277 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.35 . pD pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'For spectra measured at 298K' 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 _Reference_correction_type _Correction_value water H 1 protons ppm 4.70 internal direct . . . 1 temperature 0.07 stop_ save_ save_chem_shift_reference_2 _Saveframe_category chemical_shift_reference _Details 'For spectra measured at 277K' 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 _Reference_correction_type _Correction_value water H 1 protons ppm 4.70 internal direct . . . 1 Temperature 0.30 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H COSY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 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 1 DC H1' H 5.816 0.001 . 2 1 1 DC H2' H 2.064 0.001 . 3 1 1 DC H2'' H 2.473 0.001 . 4 1 1 DC H3' H 4.723 0.002 . 5 1 1 DC H4' H 4.096 0.001 . 6 1 1 DC H5 H 5.935 0.001 . 7 1 1 DC H5' H 3.747 0.001 . 8 1 1 DC H6 H 7.679 0.001 . 9 1 1 DC H41 H 7.118 0.003 . 10 1 1 DC H42 H 8.156 0.003 . 11 2 2 DG H1 H 12.946 0.003 . 12 2 2 DG H1' H 6.059 0.002 . 13 2 2 DG H2' H 2.704 0.002 . 14 2 2 DG H2'' H 2.841 0.002 . 15 2 2 DG H3' H 4.994 0.001 . 16 2 2 DG H4' H 4.399 0.001 . 17 2 2 DG H5' H 4.052 0.002 . 18 2 2 DG H5'' H 4.132 0.001 . 19 2 2 DG H8 H 8.000 0.001 . 20 3 3 DT H1' H 6.006 0.002 . 21 3 3 DT H2' H 2.230 0.002 . 22 3 3 DT H2'' H 2.519 0.002 . 23 3 3 DT H3 H 13.748 0.003 . 24 3 3 DT H3' H 4.874 0.001 . 25 3 3 DT H4' H 4.261 0.002 . 26 3 3 DT H5' H 4.405 0.001 . 27 3 3 DT H6 H 7.292 0.001 . 28 3 3 DT H71 H 1.477 0.002 . 29 3 3 DT H72 H 1.477 0.002 . 30 3 3 DT H73 H 1.477 0.002 . 31 4 4 DC H1' H 6.016 0.001 . 32 4 4 DC H2' H 1.833 0.002 . 33 4 4 DC H2'' H 2.425 0.002 . 34 4 4 DC H3' H 4.700 0.002 . 35 4 4 DC H4' H 4.139 0.002 . 36 4 4 DC H5 H 5.555 0.001 . 37 4 4 DC H5' H 4.333 0.001 . 38 4 4 DC H5'' H 4.241 0.002 . 39 4 4 DC H6 H 7.525 0.001 . 40 4 4 DC H41 H 6.999 0.002 . 41 4 4 DC H42 H 7.659 0.003 . 42 5 5 DT H1' H 6.170 0.002 . 43 5 5 DT H2' H 2.499 0.003 . 44 5 5 DT H2'' H 2.574 0.003 . 45 5 5 DT H3 H 13.472 0.003 . 46 5 5 DT H3' H 4.945 0.002 . 47 5 5 DT H4' H 4.339 0.001 . 48 5 5 DT H5' H 4.117 0.003 . 49 5 5 DT H5'' H 4.069 0.002 . 50 5 5 DT H6 H 7.591 0.002 . 51 5 5 DT H71 H 1.749 0.001 . 52 5 5 DT H72 H 1.749 0.001 . 53 5 5 DT H73 H 1.749 0.001 . 54 6 6 DC H1' H 5.648 0.002 . 55 6 6 DC H2' H 2.033 0.001 . 56 6 6 DC H2'' H 2.405 0.001 . 57 6 6 DC H3' H 4.878 0.001 . 58 6 6 DC H4' H 4.151 0.001 . 59 6 6 DC H5 H 5.799 0.002 . 60 6 6 DC H6 H 7.511 0.002 . 61 6 6 DC H41 H 8.462 0.002 . 62 6 6 DC H42 H 7.020 0.003 . 63 7 7 DA H1' H 6.213 0.001 . 64 7 7 DA H2 H 7.641 0.002 . 65 7 7 DA H2' H 2.711 0.003 . 66 7 7 DA H2'' H 2.908 0.002 . 67 7 7 DA H3' H 5.024 0.001 . 68 7 7 DA H4' H 4.419 0.002 . 69 7 7 DA H5' H 4.156 0.003 . 70 7 7 DA H5'' H 4.078 0.002 . 71 7 7 DA H8 H 8.362 0.001 . 72 7 7 DA H61 H 7.802 0.003 . 73 7 7 DA H62 H 6.442 0.002 . 74 8 8 DT H1' H 5.652 0.001 . 75 8 8 DT H2' H 1.747 0.001 . 76 8 8 DT H2'' H 2.189 0.003 . 77 8 8 DT H3 H 13.572 0.002 . 78 8 8 DT H3' H 4.815 0.002 . 79 8 8 DT H4' H 4.057 0.001 . 80 8 8 DT H5' H 4.246 0.002 . 81 8 8 DT H5'' H 4.107 0.001 . 82 8 8 DT H6 H 7.018 0.002 . 83 8 8 DT H71 H 1.446 0.002 . 84 8 8 DT H72 H 1.446 0.002 . 85 8 8 DT H73 H 1.446 0.002 . 86 9 9 DG H1 H 12.439 0.003 . 87 9 9 DG H1' H 5.255 0.001 . 88 9 9 DG H2' H 2.577 0.001 . 89 9 9 DG H2'' H 2.574 0.002 . 90 9 9 DG H3' H 4.930 0.001 . 91 9 9 DG H4' H 4.259 0.002 . 92 9 9 DG H5' H 4.058 0.002 . 93 9 9 DG H5'' H 4.006 0.002 . 94 9 9 DG H8 H 7.800 0.002 . 95 10 10 DA H1' H 6.145 0.002 . 96 10 10 DA H2 H 7.538 0.001 . 97 10 10 DA H2' H 2.527 0.002 . 98 10 10 DA H2'' H 2.784 0.003 . 99 10 10 DA H3' H 4.920 0.002 . 100 10 10 DA H4' H 4.424 0.002 . 101 10 10 DA H5' H 4.258 0.002 . 102 10 10 DA H5'' H 4.177 0.003 . 103 10 10 DA H8 H 8.141 0.002 . 104 10 10 DA H61 H 7.749 0.003 . 105 10 10 DA H62 H 6.379 0.003 . 106 11 11 DT H1' H 5.763 0.001 . 107 11 11 DT H2' H 1.800 0.001 . 108 11 11 DT H2'' H 2.241 0.002 . 109 11 11 DT H3' H 4.820 0.002 . 110 11 11 DT H4' H 4.107 0.002 . 111 11 11 DT H5' H 4.184 0.002 . 112 11 11 DT H5'' H 4.023 0.002 . 113 11 11 DT H6 H 6.951 0.002 . 114 11 11 DT H71 H 1.267 0.001 . 115 11 11 DT H72 H 1.267 0.001 . 116 11 11 DT H73 H 1.267 0.001 . 117 12 12 DA H1' H 6.114 0.002 . 118 12 12 DA H2 H 7.926 0.002 . 119 12 12 DA H2' H 2.744 0.001 . 120 12 12 DA H2'' H 2.775 0.003 . 121 12 12 DA H3' H 5.019 0.002 . 122 12 12 DA H4' H 4.416 0.002 . 123 12 12 DA H5' H 4.113 0.003 . 124 12 12 DA H5'' H 4.022 0.002 . 125 12 12 DA H8 H 8.333 0.002 . 126 12 12 DA H61 H 7.616 0.003 . 127 12 12 DA H62 H 7.008 0.002 . 128 13 13 DC H1' H 5.693 0.002 . 129 13 13 DC H2' H 1.882 0.001 . 130 13 13 DC H2'' H 2.310 0.001 . 131 13 13 DC H3' H 4.769 0.003 . 132 13 13 DC H4' H 4.157 0.001 . 133 13 13 DC H5 H 5.401 0.001 . 134 13 13 DC H5' H 4.244 0.002 . 135 13 13 DC H5'' H 4.078 0.003 . 136 13 13 DC H6 H 7.307 0.001 . 137 13 13 DC H41 H 8.258 0.003 . 138 13 13 DC H42 H 6.815 0.003 . 139 14 14 DG H1 H 13.119 0.001 . 140 14 14 DG H1' H 6.164 0.001 . 141 14 14 DG H2' H 2.594 0.002 . 142 14 14 DG H2'' H 2.375 0.003 . 143 14 14 DG H3' H 4.664 0.001 . 144 14 14 DG H4' H 4.178 0.001 . 145 14 14 DG H5' H 4.078 0.002 . 146 14 14 DG H8 H 7.902 0.001 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H COSY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 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 15 1 DC H1' H 5.816 0.001 . 2 15 1 DC H2' H 2.064 0.001 . 3 15 1 DC H2'' H 2.473 0.001 . 4 15 1 DC H3' H 4.723 0.002 . 5 15 1 DC H4' H 4.096 0.001 . 6 15 1 DC H5 H 5.935 0.001 . 7 15 1 DC H5' H 3.747 0.001 . 8 15 1 DC H6 H 7.679 0.001 . 9 15 1 DC H41 H 7.118 0.003 . 10 15 1 DC H42 H 8.156 0.003 . 11 16 2 DG H1 H 12.946 0.003 . 12 16 2 DG H1' H 6.059 0.002 . 13 16 2 DG H2' H 2.704 0.002 . 14 16 2 DG H2'' H 2.841 0.002 . 15 16 2 DG H3' H 4.994 0.001 . 16 16 2 DG H4' H 4.399 0.001 . 17 16 2 DG H5' H 4.052 0.002 . 18 16 2 DG H5'' H 4.132 0.001 . 19 16 2 DG H8 H 8.000 0.001 . 20 17 3 DT H1' H 6.006 0.002 . 21 17 3 DT H2' H 2.230 0.002 . 22 17 3 DT H2'' H 2.519 0.002 . 23 17 3 DT H3 H 13.748 0.003 . 24 17 3 DT H3' H 4.874 0.001 . 25 17 3 DT H4' H 4.261 0.002 . 26 17 3 DT H5' H 4.405 0.001 . 27 17 3 DT H6 H 7.292 0.001 . 28 17 3 DT H71 H 1.477 0.002 . 29 17 3 DT H72 H 1.477 0.002 . 30 17 3 DT H73 H 1.477 0.002 . 31 18 4 DC H1' H 6.016 0.001 . 32 18 4 DC H2' H 1.833 0.002 . 33 18 4 DC H2'' H 2.425 0.002 . 34 18 4 DC H3' H 4.700 0.002 . 35 18 4 DC H4' H 4.139 0.002 . 36 18 4 DC H5 H 5.555 0.001 . 37 18 4 DC H5' H 4.333 0.001 . 38 18 4 DC H5'' H 4.241 0.002 . 39 18 4 DC H6 H 7.525 0.001 . 40 18 4 DC H41 H 6.999 0.002 . 41 18 4 DC H42 H 7.659 0.003 . 42 19 5 DT H1' H 6.170 0.002 . 43 19 5 DT H2' H 2.499 0.003 . 44 19 5 DT H2'' H 2.574 0.003 . 45 19 5 DT H3 H 13.472 0.003 . 46 19 5 DT H3' H 4.945 0.002 . 47 19 5 DT H4' H 4.339 0.001 . 48 19 5 DT H5' H 4.117 0.003 . 49 19 5 DT H5'' H 4.069 0.002 . 50 19 5 DT H6 H 7.591 0.002 . 51 19 5 DT H71 H 1.749 0.001 . 52 19 5 DT H72 H 1.749 0.001 . 53 19 5 DT H73 H 1.749 0.001 . 54 20 6 DC H1' H 5.648 0.002 . 55 20 6 DC H2' H 2.033 0.001 . 56 20 6 DC H2'' H 2.405 0.001 . 57 20 6 DC H3' H 4.878 0.001 . 58 20 6 DC H4' H 4.151 0.001 . 59 20 6 DC H5 H 5.799 0.002 . 60 20 6 DC H6 H 7.511 0.002 . 61 20 6 DC H41 H 8.462 0.002 . 62 20 6 DC H42 H 7.020 0.003 . 63 21 7 DA H1' H 6.213 0.001 . 64 21 7 DA H2 H 7.641 0.002 . 65 21 7 DA H2' H 2.711 0.003 . 66 21 7 DA H2'' H 2.908 0.002 . 67 21 7 DA H3' H 5.024 0.001 . 68 21 7 DA H4' H 4.419 0.002 . 69 21 7 DA H5' H 4.156 0.003 . 70 21 7 DA H5'' H 4.078 0.002 . 71 21 7 DA H8 H 8.362 0.001 . 72 21 7 DA H61 H 7.802 0.003 . 73 21 7 DA H62 H 6.442 0.002 . 74 22 8 DT H1' H 5.652 0.001 . 75 22 8 DT H2' H 1.747 0.001 . 76 22 8 DT H2'' H 2.189 0.003 . 77 22 8 DT H3 H 13.572 0.002 . 78 22 8 DT H3' H 4.815 0.002 . 79 22 8 DT H4' H 4.057 0.001 . 80 22 8 DT H5' H 4.246 0.002 . 81 22 8 DT H5'' H 4.107 0.001 . 82 22 8 DT H6 H 7.018 0.002 . 83 22 8 DT H71 H 1.446 0.002 . 84 22 8 DT H72 H 1.446 0.002 . 85 22 8 DT H73 H 1.446 0.002 . 86 23 9 DG H1 H 12.439 0.003 . 87 23 9 DG H1' H 5.255 0.001 . 88 23 9 DG H2' H 2.577 0.001 . 89 23 9 DG H2'' H 2.574 0.002 . 90 23 9 DG H3' H 4.930 0.001 . 91 23 9 DG H4' H 4.259 0.002 . 92 23 9 DG H5' H 4.058 0.002 . 93 23 9 DG H5'' H 4.006 0.002 . 94 23 9 DG H8 H 7.800 0.002 . 95 24 10 DA H1' H 6.145 0.002 . 96 24 10 DA H2 H 7.538 0.001 . 97 24 10 DA H2' H 2.527 0.002 . 98 24 10 DA H2'' H 2.784 0.003 . 99 24 10 DA H3' H 4.920 0.002 . 100 24 10 DA H4' H 4.424 0.002 . 101 24 10 DA H5' H 4.258 0.002 . 102 24 10 DA H5'' H 4.177 0.003 . 103 24 10 DA H8 H 8.141 0.002 . 104 24 10 DA H61 H 7.749 0.003 . 105 24 10 DA H62 H 6.379 0.003 . 106 25 11 DT H1' H 5.763 0.001 . 107 25 11 DT H2' H 1.800 0.001 . 108 25 11 DT H2'' H 2.241 0.002 . 109 25 11 DT H3' H 4.820 0.002 . 110 25 11 DT H4' H 4.107 0.002 . 111 25 11 DT H5' H 4.184 0.002 . 112 25 11 DT H5'' H 4.023 0.002 . 113 25 11 DT H6 H 6.951 0.002 . 114 25 11 DT H71 H 1.267 0.001 . 115 25 11 DT H72 H 1.267 0.001 . 116 25 11 DT H73 H 1.267 0.001 . 117 26 12 DA H1' H 6.114 0.002 . 118 26 12 DA H2 H 7.926 0.002 . 119 26 12 DA H2' H 2.744 0.001 . 120 26 12 DA H2'' H 2.775 0.003 . 121 26 12 DA H3' H 5.019 0.002 . 122 26 12 DA H4' H 4.416 0.002 . 123 26 12 DA H5' H 4.113 0.003 . 124 26 12 DA H5'' H 4.022 0.002 . 125 26 12 DA H8 H 8.333 0.002 . 126 26 12 DA H61 H 7.616 0.003 . 127 26 12 DA H62 H 7.008 0.002 . 128 27 13 DC H1' H 5.693 0.002 . 129 27 13 DC H2' H 1.882 0.001 . 130 27 13 DC H2'' H 2.310 0.001 . 131 27 13 DC H3' H 4.769 0.003 . 132 27 13 DC H4' H 4.157 0.001 . 133 27 13 DC H5 H 5.401 0.001 . 134 27 13 DC H5' H 4.244 0.002 . 135 27 13 DC H5'' H 4.078 0.003 . 136 27 13 DC H6 H 7.307 0.001 . 137 27 13 DC H41 H 8.258 0.003 . 138 27 13 DC H42 H 6.815 0.003 . 139 28 14 DG H1 H 13.119 0.001 . 140 28 14 DG H1' H 6.164 0.001 . 141 28 14 DG H2' H 2.594 0.002 . 142 28 14 DG H2'' H 2.375 0.003 . 143 28 14 DG H3' H 4.664 0.001 . 144 28 14 DG H4' H 4.178 0.001 . 145 28 14 DG H5' H 4.078 0.002 . 146 28 14 DG H8 H 7.902 0.001 . stop_ save_