data_19402 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of an antiparallel (2+2) G-quadruplex formed by human telomeric repeats in Na+ solution (with G22-to-BrG substitution) ; _BMRB_accession_number 19402 _BMRB_flat_file_name bmr19402.str _Entry_type original _Submission_date 2013-08-02 _Accession_date 2013-08-02 _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 Lim 'Kah Wai' . . 2 Ng 'Veronica Chinn Min' . . 3 Martin-Pintado Nerea . . 4 Heddi Brahim . . 5 Phan 'Anh Tuan' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-09-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the human telomere in Na+ solution: an antiparallel (2+2) G-quadruplex scaffold reveals additional diversity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23999095 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim 'Kah Wai' . . 2 Ng 'Veronica Chinn Min' . . 3 Martin-Pintado Nerea . . 4 Heddi Brahim . . 5 Phan 'Anh Tuan' . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 41 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10556 _Page_last 10562 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'antiparallel (2+2) G-quadruplex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (27-MER)' $DNA_(27-MER) 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_DNA_(27-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(27-MER) _Molecular_mass 8592.441 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; TTAGGGTTAGGGTTAGGGTT AXGGTTA ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DT 3 DA 4 DG 5 DG 6 DG 7 DT 8 DT 9 DA 10 DG 11 DG 12 DG 13 DT 14 DT 15 DA 16 DG 17 DG 18 DG 19 DT 20 DT 21 DA 22 BGM 23 DG 24 DG 25 DT 26 DT 27 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_BGM _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common 8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE _BMRB_code BGM _PDB_code BGM _Standard_residue_derivative . _Molecular_mass 426.117 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C4 C4 C . 0 . ? N3 N3 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N1 N1 N . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? OP3 OP3 O . 0 . ? BR BR BR . 0 . ? HOP2 HOP2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H1' H1' H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H1 H1 H . 0 . ? H2' H2' H . 0 . ? H2'' H2'' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? HOP3 HOP3 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 DOUB P OP1 ? ? SING P OP2 ? ? SING P O5' ? ? SING P OP3 ? ? SING OP2 HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C1' N9 ? ? SING C1' C2' ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 BR ? ? SING N7 C5 ? ? DOUB C5 C4 ? ? SING C5 C6 ? ? SING C4 N3 ? ? DOUB N3 C2 ? ? SING C2 N2 ? ? SING C2 N1 ? ? SING N2 H21 ? ? SING N2 H22 ? ? SING N1 C6 ? ? SING N1 H1 ? ? DOUB C6 O6 ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING C2' H2'' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING OP3 HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DNA_(27-MER) 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 $DNA_(27-MER) 'chemical synthesis' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_(27-MER) . mM 1 2 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_(27-MER) . mM 1 2 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_(27-MER) . mM 0.5 2 '[U-2% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DNA_(27-MER) . mM 0.2 1 '[U-100% 2H]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Felix NMR, Inc.' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.29 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_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_JR_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H JR NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_JR_HMBC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C JR HMBC' _Sample_label $sample_1 save_ save_H-D_EXCHANGE_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'H-D EXCHANGE' _Sample_label $sample_1 save_ save_15N-FILTERED_8 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-FILTERED _Sample_label $sample_3 save_ save_D-LABELED_9 _Saveframe_category NMR_applied_experiment _Experiment_name D-LABELED _Sample_label $sample_4 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' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H JR NOESY' 15N-FILTERED D-LABELED stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA (27-MER)' _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 DT H1' H 5.793 0.010 1 2 1 1 DT H2' H 1.897 0.010 1 3 1 1 DT H2'' H 2.119 0.010 1 4 1 1 DT H3' H 4.432 0.010 1 5 1 1 DT H4' H 3.716 0.010 1 6 1 1 DT H5' H 3.494 0.010 2 7 1 1 DT H5'' H 3.371 0.010 2 8 1 1 DT H6 H 7.333 0.010 1 9 1 1 DT H71 H 1.618 0.010 2 10 1 1 DT H72 H 1.618 0.010 2 11 1 1 DT H73 H 1.618 0.010 2 12 2 2 DT H1' H 5.503 0.010 1 13 2 2 DT H2' H 1.713 0.010 1 14 2 2 DT H2'' H 1.988 0.010 1 15 2 2 DT H3' H 4.545 0.010 1 16 2 2 DT H4' H 3.838 0.010 1 17 2 2 DT H5' H 3.712 0.010 2 18 2 2 DT H5'' H 3.633 0.010 2 19 2 2 DT H6 H 7.126 0.010 1 20 2 2 DT H71 H 1.553 0.010 2 21 2 2 DT H72 H 1.553 0.010 2 22 2 2 DT H73 H 1.553 0.010 2 23 3 3 DA H1' H 6.354 0.010 1 24 3 3 DA H2 H 8.595 0.010 1 25 3 3 DA H2' H 2.974 0.010 1 26 3 3 DA H2'' H 2.592 0.010 1 27 3 3 DA H3' H 5.040 0.010 1 28 3 3 DA H4' H 4.564 0.010 1 29 3 3 DA H5' H 3.930 0.010 2 30 3 3 DA H5'' H 3.930 0.010 2 31 3 3 DA H8 H 8.389 0.010 1 32 4 4 DG H1 H 11.456 0.010 1 33 4 4 DG H1' H 5.749 0.010 1 34 4 4 DG H2' H 3.306 0.010 1 35 4 4 DG H2'' H 3.021 0.010 1 36 4 4 DG H3' H 4.960 0.010 1 37 4 4 DG H4' H 4.355 0.010 1 38 4 4 DG H5' H 4.528 0.010 2 39 4 4 DG H5'' H 4.143 0.010 2 40 4 4 DG H8 H 6.871 0.010 1 41 5 5 DG H1 H 10.797 0.010 1 42 5 5 DG H1' H 5.695 0.010 1 43 5 5 DG H2' H 2.719 0.010 1 44 5 5 DG H2'' H 2.230 0.010 1 45 5 5 DG H3' H 5.049 0.010 1 46 5 5 DG H4' H 4.267 0.010 1 47 5 5 DG H8 H 7.344 0.010 1 48 6 6 DG H1 H 11.501 0.010 1 49 6 6 DG H1' H 6.071 0.010 1 50 6 6 DG H2' H 2.739 0.010 1 51 6 6 DG H2'' H 2.910 0.010 1 52 6 6 DG H3' H 5.190 0.010 1 53 6 6 DG H4' H 4.431 0.010 1 54 6 6 DG H5' H 4.200 0.010 2 55 6 6 DG H5'' H 4.094 0.010 2 56 6 6 DG H8 H 7.516 0.010 1 57 7 7 DT H1' H 6.443 0.010 1 58 7 7 DT H2' H 2.517 0.010 1 59 7 7 DT H2'' H 2.610 0.010 1 60 7 7 DT H3' H 5.036 0.010 1 61 7 7 DT H4' H 4.526 0.010 1 62 7 7 DT H5' H 4.468 0.010 2 63 7 7 DT H5'' H 4.315 0.010 2 64 7 7 DT H6 H 7.885 0.010 1 65 7 7 DT H71 H 2.036 0.010 2 66 7 7 DT H72 H 2.036 0.010 2 67 7 7 DT H73 H 2.036 0.010 2 68 8 8 DT H1' H 5.776 0.010 1 69 8 8 DT H2' H 0.788 0.010 1 70 8 8 DT H2'' H 1.822 0.010 1 71 8 8 DT H3' H 4.764 0.010 1 72 8 8 DT H4' H 4.199 0.010 1 73 8 8 DT H5' H 4.050 0.010 2 74 8 8 DT H5'' H 3.975 0.010 2 75 8 8 DT H6 H 7.109 0.010 1 76 8 8 DT H71 H 1.491 0.010 2 77 8 8 DT H72 H 1.491 0.010 2 78 8 8 DT H73 H 1.491 0.010 2 79 9 9 DA H1' H 6.244 0.010 1 80 9 9 DA H2 H 8.014 0.010 1 81 9 9 DA H2' H 3.035 0.010 1 82 9 9 DA H2'' H 2.922 0.010 1 83 9 9 DA H3' H 5.108 0.010 1 84 9 9 DA H4' H 4.538 0.010 1 85 9 9 DA H5' H 4.063 0.010 2 86 9 9 DA H5'' H 3.887 0.010 2 87 9 9 DA H8 H 8.448 0.010 1 88 10 10 DG H1 H 11.044 0.010 1 89 10 10 DG H1' H 5.907 0.010 1 90 10 10 DG H2' H 3.315 0.010 1 91 10 10 DG H2'' H 2.787 0.010 1 92 10 10 DG H3' H 4.994 0.010 1 93 10 10 DG H4' H 4.497 0.010 1 94 10 10 DG H8 H 6.879 0.010 1 95 11 11 DG H1 H 10.929 0.010 1 96 11 11 DG H1' H 5.784 0.010 1 97 11 11 DG H2' H 2.433 0.010 2 98 11 11 DG H2'' H 2.433 0.010 2 99 11 11 DG H3' H 4.911 0.010 1 100 11 11 DG H8 H 7.132 0.010 1 101 12 12 DG H1 H 10.850 0.010 1 102 12 12 DG H1' H 6.224 0.010 1 103 12 12 DG H2' H 2.397 0.010 1 104 12 12 DG H2'' H 2.770 0.010 1 105 12 12 DG H3' H 4.987 0.010 1 106 12 12 DG H4' H 3.918 0.010 1 107 12 12 DG H8 H 7.128 0.010 1 108 13 13 DT H1' H 6.510 0.010 1 109 13 13 DT H2' H 2.483 0.010 1 110 13 13 DT H2'' H 2.576 0.010 1 111 13 13 DT H3' H 4.695 0.010 1 112 13 13 DT H4' H 4.646 0.010 1 113 13 13 DT H6 H 7.911 0.010 1 114 13 13 DT H71 H 2.001 0.010 2 115 13 13 DT H72 H 2.001 0.010 2 116 13 13 DT H73 H 2.001 0.010 2 117 14 14 DT H1' H 6.497 0.010 1 118 14 14 DT H2' H 2.547 0.010 1 119 14 14 DT H2'' H 2.830 0.010 1 120 14 14 DT H3' H 5.060 0.010 1 121 14 14 DT H4' H 4.372 0.010 1 122 14 14 DT H6 H 7.931 0.010 1 123 14 14 DT H71 H 2.166 0.010 2 124 14 14 DT H72 H 2.166 0.010 2 125 14 14 DT H73 H 2.166 0.010 2 126 15 15 DA H1' H 5.901 0.010 1 127 15 15 DA H2 H 7.007 0.010 1 128 15 15 DA H2' H 2.216 0.010 1 129 15 15 DA H2'' H 2.504 0.010 1 130 15 15 DA H3' H 4.716 0.010 1 131 15 15 DA H4' H 4.458 0.010 1 132 15 15 DA H5' H 4.168 0.010 2 133 15 15 DA H5'' H 4.029 0.010 2 134 15 15 DA H8 H 7.971 0.010 1 135 16 16 DG H1 H 11.224 0.010 1 136 16 16 DG H1' H 5.825 0.010 1 137 16 16 DG H2' H 2.662 0.010 1 138 16 16 DG H2'' H 2.746 0.010 1 139 16 16 DG H3' H 4.597 0.010 1 140 16 16 DG H4' H 4.350 0.010 1 141 16 16 DG H8 H 7.137 0.010 1 142 17 17 DG H1 H 11.755 0.010 1 143 17 17 DG H1' H 5.693 0.010 1 144 17 17 DG H2' H 2.384 0.010 1 145 17 17 DG H2'' H 2.460 0.010 1 146 17 17 DG H3' H 5.078 0.010 1 147 17 17 DG H4' H 4.289 0.010 1 148 17 17 DG H8 H 8.038 0.010 1 149 18 18 DG H1 H 11.044 0.010 1 150 18 18 DG H1' H 6.224 0.010 1 151 18 18 DG H2' H 2.888 0.010 1 152 18 18 DG H2'' H 2.597 0.010 1 153 18 18 DG H3' H 5.099 0.010 1 154 18 18 DG H4' H 4.548 0.010 1 155 18 18 DG H8 H 8.222 0.010 1 156 19 19 DT H1' H 6.410 0.010 1 157 19 19 DT H2' H 2.472 0.010 1 158 19 19 DT H2'' H 2.592 0.010 1 159 19 19 DT H3' H 4.874 0.010 1 160 19 19 DT H4' H 4.373 0.010 1 161 19 19 DT H6 H 7.828 0.010 1 162 19 19 DT H71 H 1.981 0.010 2 163 19 19 DT H72 H 1.981 0.010 2 164 19 19 DT H73 H 1.981 0.010 2 165 20 20 DT H1' H 5.635 0.010 1 166 20 20 DT H2' H 1.733 0.010 1 167 20 20 DT H2'' H 2.018 0.010 1 168 20 20 DT H3' H 4.648 0.010 1 169 20 20 DT H4' H 4.097 0.010 1 170 20 20 DT H6 H 7.142 0.010 1 171 20 20 DT H71 H 1.635 0.010 2 172 20 20 DT H72 H 1.635 0.010 2 173 20 20 DT H73 H 1.635 0.010 2 174 21 21 DA H1' H 5.958 0.010 1 175 21 21 DA H2 H 7.832 0.010 1 176 21 21 DA H2' H 2.050 0.010 1 177 21 21 DA H2'' H 2.593 0.010 1 178 21 21 DA H3' H 4.657 0.010 1 179 21 21 DA H4' H 3.766 0.010 1 180 21 21 DA H5' H 3.352 0.010 2 181 21 21 DA H5'' H 2.956 0.010 2 182 21 21 DA H8 H 7.847 0.010 1 183 22 22 BGM H1 H 11.388 0.010 1 184 22 22 BGM H1' H 6.164 0.010 1 185 22 22 BGM H2' H 3.847 0.010 1 186 22 22 BGM H2'' H 3.174 0.010 1 187 22 22 BGM H3' H 4.871 0.010 1 188 23 23 DG H1 H 11.349 0.010 1 189 23 23 DG H1' H 5.822 0.010 1 190 23 23 DG H2' H 2.508 0.010 2 191 23 23 DG H2'' H 2.508 0.010 2 192 23 23 DG H3' H 5.031 0.010 1 193 23 23 DG H8 H 7.672 0.010 1 194 24 24 DG H1 H 11.064 0.010 1 195 24 24 DG H1' H 6.002 0.010 1 196 24 24 DG H2' H 2.675 0.010 1 197 24 24 DG H2'' H 2.713 0.010 1 198 24 24 DG H3' H 5.025 0.010 1 199 24 24 DG H4' H 4.498 0.010 1 200 24 24 DG H8 H 7.916 0.010 1 201 25 25 DT H1' H 5.917 0.010 1 202 25 25 DT H2' H 2.129 0.010 1 203 25 25 DT H2'' H 2.359 0.010 1 204 25 25 DT H3' H 4.786 0.010 1 205 25 25 DT H4' H 3.986 0.010 1 206 25 25 DT H6 H 7.355 0.010 1 207 25 25 DT H71 H 1.995 0.010 2 208 25 25 DT H72 H 1.995 0.010 2 209 25 25 DT H73 H 1.995 0.010 2 210 26 26 DT H1' H 5.156 0.010 1 211 26 26 DT H2' H 1.606 0.010 1 212 26 26 DT H2'' H 1.851 0.010 1 213 26 26 DT H3' H 4.345 0.010 1 214 26 26 DT H4' H 3.235 0.010 1 215 26 26 DT H5' H 3.610 0.010 2 216 26 26 DT H5'' H 3.575 0.010 2 217 26 26 DT H6 H 7.060 0.010 1 218 26 26 DT H71 H 1.365 0.010 2 219 26 26 DT H72 H 1.365 0.010 2 220 26 26 DT H73 H 1.365 0.010 2 221 27 27 DA H1' H 6.009 0.010 1 222 27 27 DA H2 H 7.762 0.010 1 223 27 27 DA H2' H 2.674 0.010 1 224 27 27 DA H2'' H 2.468 0.010 1 225 27 27 DA H3' H 4.697 0.010 1 226 27 27 DA H4' H 3.939 0.010 1 227 27 27 DA H5' H 3.879 0.010 2 228 27 27 DA H5'' H 3.620 0.010 2 229 27 27 DA H8 H 7.961 0.010 1 stop_ save_