data_34398 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species) ; _BMRB_accession_number 34398 _BMRB_flat_file_name bmr34398.str _Entry_type original _Submission_date 2019-05-02 _Accession_date 2019-05-02 _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" 304 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-05 update author 'update entry citation, etc.' 2019-10-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 34244 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (major species)' 34245 'Concerted dynamics of metallo-base pairs in an A/B-form helical transition (minor species)' stop_ _Original_release_date 2019-10-11 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 Olivia P. . 2 Jurt Simon . . 3 Johannsen Silke . . 4 Karimi Ashkan . . 5 Sigel Roland . . 6 Luedtke Nathan 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')" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 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 entity_1 _Molecular_mass 4255.778 _Mol_thiol_state 'not present' _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_ #################### # 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 '0.3 mM polydeoxyribonucleotide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM 'natural abundance' NaClO4 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.3 mM polydeoxyribonucleotide, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM 'natural abundance' NaClO4 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version 4.0.3 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 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement '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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _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_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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 278 . 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 4.7 internal direct . . . 1 temperature 0.3 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 TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _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 5.741 0.002 1 2 1 1 DC H2' H 1.980 0.003 1 3 1 1 DC H2'' H 2.395 0.002 1 4 1 1 DC H3' H 4.645 0.001 1 5 1 1 DC H4' H 4.022 0.001 1 6 1 1 DC H5 H 5.851 0.002 1 7 1 1 DC H5' H 3.678 0.002 1 8 1 1 DC H5'' H 3.678 0.002 1 9 1 1 DC H6 H 7.601 0.003 1 10 1 1 DC H41 H 8.094 0.001 1 11 1 1 DC H42 H 7.040 0.003 1 12 2 2 DG H1 H 12.879 0.003 1 13 2 2 DG H1' H 5.981 0.003 1 14 2 2 DG H2' H 2.625 0.003 1 15 2 2 DG H2'' H 2.770 0.002 1 16 2 2 DG H3' H 4.916 0.001 1 17 2 2 DG H4' H 4.331 0.001 1 18 2 2 DG H5' H 4.057 0.003 1 19 2 2 DG H5'' H 3.987 0.003 1 20 2 2 DG H8 H 7.918 0.001 1 21 3 3 DT H1' H 6.022 0.003 1 22 3 3 DT H2' H 2.136 0.002 1 23 3 3 DT H2'' H 2.467 0.003 1 24 3 3 DT H3 H 13.870 0.004 1 25 3 3 DT H3' H 4.820 0.001 1 26 3 3 DT H4' H 4.237 0.002 1 27 3 3 DT H5' H 4.198 0.002 1 28 3 3 DT H5'' H 4.095 0.003 1 29 3 3 DT H6 H 7.212 0.002 1 30 3 3 DT H71 H 1.380 0.002 1 31 3 3 DT H72 H 1.380 0.002 1 32 3 3 DT H73 H 1.380 0.002 1 33 4 4 DC H1' H 6.139 0.001 1 34 4 4 DC H2' H 1.881 0.003 1 35 4 4 DC H2'' H 2.457 0.003 1 36 4 4 DC H3' H 4.775 0.001 1 37 4 4 DC H4' H 4.085 0.003 1 38 4 4 DC H5 H 5.419 0.002 1 39 4 4 DC H5' H 4.108 0.001 1 40 4 4 DC H5'' H 4.056 0.001 1 41 4 4 DC H6 H 7.395 0.002 1 42 4 4 DC H41 H 7.784 0.006 1 43 4 4 DC H42 H 6.685 0.004 1 44 5 5 DT H1' H 5.756 0.002 1 45 5 5 DT H2' H 2.349 0.000 1 46 5 5 DT H2'' H 2.347 0.000 1 47 5 5 DT H3 H 14.499 0.003 1 48 5 5 DT H3' H 4.858 0.002 1 49 5 5 DT H4' H 4.207 0.001 1 50 5 5 DT H5' H 4.026 0.001 1 51 5 5 DT H5'' H 4.026 0.001 1 52 5 5 DT H6 H 7.506 0.002 1 53 5 5 DT H71 H 1.694 0.002 1 54 5 5 DT H72 H 1.694 0.002 1 55 5 5 DT H73 H 1.694 0.002 1 56 6 6 DC H1' H 5.629 0.002 1 57 6 6 DC H2' H 2.047 0.002 1 58 6 6 DC H2'' H 2.391 0.002 1 59 6 6 DC H3' H 4.759 0.002 1 60 6 6 DC H4' H 4.101 0.003 1 61 6 6 DC H5 H 5.671 0.002 1 62 6 6 DC H6 H 7.515 0.003 1 63 6 6 DC H41 H 8.301 0.003 1 64 6 6 DC H42 H 6.922 0.005 1 65 7 7 DA H1' H 6.139 0.002 1 66 7 7 DA H2 H 7.502 0.002 1 67 7 7 DA H2' H 2.590 0.002 1 68 7 7 DA H2'' H 2.840 0.002 1 69 7 7 DA H3' H 4.944 0.001 1 70 7 7 DA H4' H 4.340 0.003 1 71 7 7 DA H5' H 4.104 0.003 1 72 7 7 DA H5'' H 4.008 0.003 1 73 7 7 DA H8 H 8.230 0.002 1 74 7 7 DA H61 H 7.654 0.004 1 75 7 7 DA H62 H 6.251 0.001 1 76 8 8 DT H1' H 5.583 0.002 1 77 8 8 DT H2' H 1.867 0.002 1 78 8 8 DT H2'' H 2.272 0.003 1 79 8 8 DT H3 H 13.411 0.002 1 80 8 8 DT H3' H 4.773 0.001 1 81 8 8 DT H4' H 4.048 0.004 1 82 8 8 DT H5' H 4.168 0.004 1 83 8 8 DT H5'' H 3.992 0.004 1 84 8 8 DT H6 H 7.001 0.001 1 85 8 8 DT H71 H 1.339 0.003 1 86 8 8 DT H72 H 1.339 0.003 1 87 8 8 DT H73 H 1.339 0.003 1 88 9 9 DG H1 H 12.184 0.002 1 89 9 9 DG H1' H 5.458 0.001 1 90 9 9 DG H2' H 2.533 0.003 1 91 9 9 DG H2'' H 2.646 0.003 1 92 9 9 DG H3' H 4.901 0.002 1 93 9 9 DG H4' H 4.260 0.001 1 94 9 9 DG H5' H 4.036 0.004 1 95 9 9 DG H5'' H 3.982 0.003 1 96 9 9 DG H8 H 7.703 0.001 1 97 9 9 DG H21 H 7.090 0.000 1 98 9 9 DG H22 H 5.060 0.000 1 99 10 10 DA H1' H 6.080 0.001 1 100 10 10 DA H2 H 7.700 0.002 1 101 10 10 DA H2' H 2.510 0.003 1 102 10 10 DA H2'' H 2.763 0.005 1 103 10 10 DA H3' H 4.910 0.002 1 104 10 10 DA H4' H 4.374 0.001 1 105 10 10 DA H5' H 4.140 0.003 1 106 10 10 DA H5'' H 4.140 0.003 1 107 10 10 DA H8 H 8.072 0.001 1 108 10 10 DA H61 H 7.170 0.009 1 109 10 10 DA H62 H 5.856 0.001 1 110 11 11 DT H1' H 5.642 0.003 1 111 11 11 DT H2' H 1.330 0.003 1 112 11 11 DT H2'' H 1.966 0.002 1 113 11 11 DT H3 H 11.065 0.003 1 114 11 11 DT H3' H 4.712 0.002 1 115 11 11 DT H4' H 3.940 0.002 1 116 11 11 DT H5' H 4.013 0.005 1 117 11 11 DT H5'' H 4.152 0.008 1 118 11 11 DT H6 H 6.770 0.001 1 119 11 11 DT H71 H 1.140 0.002 1 120 11 11 DT H72 H 1.140 0.002 1 121 11 11 DT H73 H 1.140 0.002 1 122 12 12 DA H1' H 6.037 0.002 1 123 12 12 DA H2 H 7.867 0.002 1 124 12 12 DA H2' H 2.748 0.004 1 125 12 12 DA H2'' H 2.726 0.002 1 126 12 12 DA H3' H 4.941 0.002 1 127 12 12 DA H4' H 4.330 0.001 1 128 12 12 DA H5' H 4.024 0.003 1 129 12 12 DA H5'' H 3.939 0.002 1 130 12 12 DA H8 H 8.221 0.003 1 131 12 12 DA H61 H 7.538 0.000 1 132 13 13 DC H1' H 5.592 0.002 1 133 13 13 DC H2' H 1.812 0.003 1 134 13 13 DC H2'' H 2.234 0.002 1 135 13 13 DC H3' H 4.656 0.001 1 136 13 13 DC H4' H 4.089 0.003 1 137 13 13 DC H5 H 5.318 0.001 1 138 13 13 DC H5' H 4.160 0.003 1 139 13 13 DC H5'' H 4.042 0.004 1 140 13 13 DC H6 H 7.234 0.002 1 141 13 13 DC H41 H 8.146 0.000 1 142 13 13 DC H42 H 6.742 0.003 1 143 14 14 DG H1 H 13.014 0.006 1 144 14 14 DG H1' H 6.102 0.002 1 145 14 14 DG H2' H 2.527 0.001 1 146 14 14 DG H2'' H 2.306 0.001 1 147 14 14 DG H3' H 4.593 0.001 1 148 14 14 DG H4' H 4.113 0.001 1 149 14 14 DG H5' H 4.008 0.001 1 150 14 14 DG H5'' H 4.008 0.001 1 151 14 14 DG H8 H 7.827 0.001 1 152 14 14 DG H22 H 4.960 0.000 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _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 5.741 0.002 1 2 15 1 DC H2' H 1.980 0.003 1 3 15 1 DC H2'' H 2.395 0.002 1 4 15 1 DC H3' H 4.645 0.001 1 5 15 1 DC H4' H 4.022 0.001 1 6 15 1 DC H5 H 5.851 0.002 1 7 15 1 DC H5' H 3.678 0.002 1 8 15 1 DC H5'' H 3.678 0.002 1 9 15 1 DC H6 H 7.601 0.003 1 10 15 1 DC H41 H 8.094 0.001 1 11 15 1 DC H42 H 7.040 0.003 1 12 16 2 DG H1 H 12.879 0.003 1 13 16 2 DG H1' H 5.981 0.003 1 14 16 2 DG H2' H 2.625 0.003 1 15 16 2 DG H2'' H 2.770 0.002 1 16 16 2 DG H3' H 4.916 0.001 1 17 16 2 DG H4' H 4.331 0.001 1 18 16 2 DG H5' H 4.057 0.003 1 19 16 2 DG H5'' H 3.987 0.003 1 20 16 2 DG H8 H 7.918 0.001 1 21 17 3 DT H1' H 6.022 0.003 1 22 17 3 DT H2' H 2.136 0.002 1 23 17 3 DT H2'' H 2.467 0.003 1 24 17 3 DT H3 H 13.870 0.004 1 25 17 3 DT H3' H 4.820 0.001 1 26 17 3 DT H4' H 4.237 0.002 1 27 17 3 DT H5' H 4.198 0.002 1 28 17 3 DT H5'' H 4.095 0.003 1 29 17 3 DT H6 H 7.212 0.002 1 30 17 3 DT H71 H 1.380 0.002 1 31 17 3 DT H72 H 1.380 0.002 1 32 17 3 DT H73 H 1.380 0.002 1 33 18 4 DC H1' H 6.139 0.001 1 34 18 4 DC H2' H 1.881 0.003 1 35 18 4 DC H2'' H 2.457 0.003 1 36 18 4 DC H3' H 4.775 0.001 1 37 18 4 DC H4' H 4.085 0.003 1 38 18 4 DC H5 H 5.419 0.002 1 39 18 4 DC H5' H 4.108 0.001 1 40 18 4 DC H5'' H 4.056 0.001 1 41 18 4 DC H6 H 7.395 0.002 1 42 18 4 DC H41 H 7.784 0.006 1 43 18 4 DC H42 H 6.685 0.004 1 44 19 5 DT H1' H 5.756 0.002 1 45 19 5 DT H2' H 2.349 0.000 1 46 19 5 DT H2'' H 2.347 0.000 1 47 19 5 DT H3 H 14.499 0.003 1 48 19 5 DT H3' H 4.858 0.002 1 49 19 5 DT H4' H 4.207 0.001 1 50 19 5 DT H5' H 4.026 0.001 1 51 19 5 DT H5'' H 4.026 0.001 1 52 19 5 DT H6 H 7.506 0.002 1 53 19 5 DT H71 H 1.694 0.002 1 54 19 5 DT H72 H 1.694 0.002 1 55 19 5 DT H73 H 1.694 0.002 1 56 20 6 DC H1' H 5.629 0.002 1 57 20 6 DC H2' H 2.047 0.002 1 58 20 6 DC H2'' H 2.391 0.002 1 59 20 6 DC H3' H 4.759 0.002 1 60 20 6 DC H4' H 4.101 0.003 1 61 20 6 DC H5 H 5.671 0.002 1 62 20 6 DC H6 H 7.515 0.003 1 63 20 6 DC H41 H 8.301 0.003 1 64 20 6 DC H42 H 6.922 0.005 1 65 21 7 DA H1' H 6.139 0.002 1 66 21 7 DA H2 H 7.502 0.002 1 67 21 7 DA H2' H 2.590 0.002 1 68 21 7 DA H2'' H 2.840 0.002 1 69 21 7 DA H3' H 4.944 0.001 1 70 21 7 DA H4' H 4.340 0.003 1 71 21 7 DA H5' H 4.104 0.003 1 72 21 7 DA H5'' H 4.008 0.003 1 73 21 7 DA H8 H 8.230 0.002 1 74 21 7 DA H61 H 7.654 0.004 1 75 21 7 DA H62 H 6.251 0.001 1 76 22 8 DT H1' H 5.583 0.002 1 77 22 8 DT H2' H 1.867 0.002 1 78 22 8 DT H2'' H 2.272 0.003 1 79 22 8 DT H3 H 13.411 0.002 1 80 22 8 DT H3' H 4.773 0.001 1 81 22 8 DT H4' H 4.048 0.004 1 82 22 8 DT H5' H 4.168 0.004 1 83 22 8 DT H5'' H 3.992 0.004 1 84 22 8 DT H6 H 7.001 0.001 1 85 22 8 DT H71 H 1.339 0.003 1 86 22 8 DT H72 H 1.339 0.003 1 87 22 8 DT H73 H 1.339 0.003 1 88 23 9 DG H1 H 12.184 0.002 1 89 23 9 DG H1' H 5.458 0.001 1 90 23 9 DG H2' H 2.533 0.003 1 91 23 9 DG H2'' H 2.646 0.003 1 92 23 9 DG H3' H 4.901 0.002 1 93 23 9 DG H4' H 4.260 0.001 1 94 23 9 DG H5' H 4.036 0.004 1 95 23 9 DG H5'' H 3.982 0.003 1 96 23 9 DG H8 H 7.703 0.001 1 97 23 9 DG H21 H 7.090 0.000 1 98 23 9 DG H22 H 5.060 0.000 1 99 24 10 DA H1' H 6.080 0.001 1 100 24 10 DA H2 H 7.700 0.002 1 101 24 10 DA H2' H 2.510 0.003 1 102 24 10 DA H2'' H 2.763 0.005 1 103 24 10 DA H3' H 4.910 0.002 1 104 24 10 DA H4' H 4.374 0.001 1 105 24 10 DA H5' H 4.140 0.003 1 106 24 10 DA H5'' H 4.140 0.003 1 107 24 10 DA H8 H 8.072 0.001 1 108 24 10 DA H61 H 7.170 0.009 1 109 24 10 DA H62 H 5.856 0.001 1 110 25 11 DT H1' H 5.642 0.003 1 111 25 11 DT H2' H 1.330 0.003 1 112 25 11 DT H2'' H 1.966 0.002 1 113 25 11 DT H3 H 11.065 0.003 1 114 25 11 DT H3' H 4.712 0.002 1 115 25 11 DT H4' H 3.940 0.002 1 116 25 11 DT H5' H 4.013 0.005 1 117 25 11 DT H5'' H 4.152 0.008 1 118 25 11 DT H6 H 6.770 0.001 1 119 25 11 DT H71 H 1.140 0.002 1 120 25 11 DT H72 H 1.140 0.002 1 121 25 11 DT H73 H 1.140 0.002 1 122 26 12 DA H1' H 6.037 0.002 1 123 26 12 DA H2 H 7.867 0.002 1 124 26 12 DA H2' H 2.748 0.004 1 125 26 12 DA H2'' H 2.726 0.002 1 126 26 12 DA H3' H 4.941 0.002 1 127 26 12 DA H4' H 4.330 0.001 1 128 26 12 DA H5' H 4.024 0.003 1 129 26 12 DA H5'' H 3.939 0.002 1 130 26 12 DA H8 H 8.221 0.003 1 131 26 12 DA H61 H 7.538 0.000 1 132 27 13 DC H1' H 5.592 0.002 1 133 27 13 DC H2' H 1.812 0.003 1 134 27 13 DC H2'' H 2.234 0.002 1 135 27 13 DC H3' H 4.656 0.001 1 136 27 13 DC H4' H 4.089 0.003 1 137 27 13 DC H5 H 5.318 0.001 1 138 27 13 DC H5' H 4.160 0.003 1 139 27 13 DC H5'' H 4.042 0.004 1 140 27 13 DC H6 H 7.234 0.002 1 141 27 13 DC H41 H 8.146 0.000 1 142 27 13 DC H42 H 6.742 0.003 1 143 28 14 DG H1 H 13.014 0.006 1 144 28 14 DG H1' H 6.102 0.002 1 145 28 14 DG H2' H 2.527 0.001 1 146 28 14 DG H2'' H 2.306 0.001 1 147 28 14 DG H3' H 4.593 0.001 1 148 28 14 DG H4' H 4.113 0.001 1 149 28 14 DG H5' H 4.008 0.001 1 150 28 14 DG H5'' H 4.008 0.001 1 151 28 14 DG H8 H 7.827 0.001 1 152 28 14 DG H22 H 4.960 0.000 1 stop_ save_