data_34063 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Quadruplex with flipped tetrad formed by an artificial sequence ; _BMRB_accession_number 34063 _BMRB_flat_file_name bmr34063.str _Entry_type original _Submission_date 2016-11-10 _Accession_date 2016-11-10 _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 Dickerhoff J. . . 2 Haase L. . . 3 Langel W. . . 4 Weisz K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 158 "13C chemical shifts" 26 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-27 update BMRB 'update entry citation' 2017-04-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 34062 'Quadruplex with flipped tetrad formed by a human telomeric sequence' stop_ _Original_release_date 2017-04-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28318229 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dickerhoff J. . . 2 Haase L. . . 3 Langel W. . . 4 Weisz K. . . stop_ _Journal_abbreviation 'ACS Chem. Biol.' _Journal_volume 12 _Journal_issue 5 _Journal_ISSN 1554-8937 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1308 _Page_last 1315 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Artificial quadruplex with propeller, diagonal and lateral loop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $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 6946.484 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; XGGATXGGACACAGGGGACX GG ; loop_ _Residue_seq_code _Residue_label 1 GF0 2 DG 3 DG 4 DA 5 DT 6 GF2 7 DG 8 DG 9 DA 10 DC 11 DA 12 DC 13 DA 14 DG 15 DG 16 DG 17 DG 18 DA 19 DC 20 GF2 21 DG 22 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_GF0 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 2'-deoxy-2'-fluoroguanosine _BMRB_code GF0 _PDB_code GF0 _Standard_residue_derivative . _Molecular_mass 285.232 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons F F F . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N7 N7 N . 0 . ? C8 C8 C . 0 . ? N9 N9 N . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? HN2A HN2A H . 0 . ? H8 H8 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H1 H1 H . 0 . ? H4' H4' H . 0 . ? H5'A H5'A H . 0 . ? H5' H5' H . 0 . ? H5T H5T 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 O6 C6 ? ? SING C6 C5 ? ? SING C6 N1 ? ? SING N7 C5 ? ? DOUB N7 C8 ? ? DOUB C5 C4 ? ? SING N1 C2 ? ? SING C8 N9 ? ? SING C4 N9 ? ? SING C4 N3 ? ? DOUB C2 N3 ? ? SING C2 N2 ? ? SING N9 C1' ? ? SING C5' O5' ? ? SING C5' C4' ? ? SING C3' C4' ? ? SING C3' C2' ? ? SING C3' O3' ? ? SING O4' C1' ? ? SING O4' C4' ? ? SING C1' C2' ? ? SING C2' F ? ? SING N1 HN1 ? ? SING N2 HN2 ? ? SING N2 HN2A ? ? SING C8 H8 ? ? SING C1' H1' ? ? SING C2' H2' ? ? SING C3' H3' ? ? SING O3' H1 ? ? SING C4' H4' ? ? SING C5' H5'A ? ? SING C5' H5' ? ? SING O5' H5T ? ? stop_ save_ save_chem_comp_GF2 _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common "2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)" _BMRB_code GF2 _PDB_code GF2 _Standard_residue_derivative . _Molecular_mass 365.212 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons F F F . 0 . ? P P P . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N7 N7 N . 0 . ? C8 C8 C . 0 . ? N9 N9 N . 0 . ? C1' C1' C . 0 . ? OP2 OP2 O . 0 . ? C2' C2' C . 0 . ? OP1 OP1 O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? OP3 OP3 O . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? HN2A HN2A H . 0 . ? H8 H8 H . 0 . ? H1' H1' H . 0 . ? HOP2 HOP2 H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? H5' H5' H . 0 . ? H5'A H5'A 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 SING P O5' ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 N2 ? ? SING C4 N3 ? ? DOUB C5 C4 ? ? SING C6 N1 ? ? SING C6 C5 ? ? DOUB O6 C6 ? ? SING N7 C5 ? ? DOUB N7 C8 ? ? SING C8 N9 ? ? SING N9 C4 ? ? SING N9 C1' ? ? SING C1' O4' ? ? SING OP2 P ? ? SING C2' F ? ? SING C2' C1' ? ? DOUB OP1 P ? ? SING C3' C2' ? ? SING C3' C4' ? ? SING O3' C3' ? ? SING C4' O4' ? ? SING C5' C4' ? ? SING O5' C5' ? ? SING P OP3 ? ? SING N1 HN1 ? ? SING N2 HN2 ? ? SING N2 HN2A ? ? SING C8 H8 ? ? SING C1' H1' ? ? SING OP2 HOP2 ? ? SING C2' H2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' H4' ? ? SING C5' H5' ? ? SING C5' H5'A ? ? 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 $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 '0.9 mM DNA, 10.0 mM potassium phosphate, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM 'natural abundance' 'potassium phosphate' 10.0 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.9 mM DNA, 10.0 mM potassium phosphate, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM 'natural abundance' 'potassium phosphate' 10.0 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 14 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Analysis _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.39 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' 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_ ############################# # 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-13C_HSQC_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _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_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' 10 . mM pH 7.0 . pH 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 . 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 C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 water H 1 protons ppm 4.78 internal direct . . . 1.0 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC aromatic' '2D DQF-COSY' 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 _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 GF0 H1' H 6.145 0.001 1 2 1 1 GF0 H2' H 5.608 0.003 1 3 1 1 GF0 H3' H 4.872 0.004 1 4 1 1 GF0 H4' H 4.499 0.002 1 5 1 1 GF0 H8 H 7.993 0.001 1 6 1 1 GF0 C8 C 137.602 . 1 7 1 1 GF0 HN1 H 11.573 0.001 1 8 2 2 DG H1 H 11.324 0.002 1 9 2 2 DG H1' H 6.234 0.002 1 10 2 2 DG H2' H 2.582 0.001 1 11 2 2 DG H2'' H 2.712 0.003 1 12 2 2 DG H3' H 4.960 . 1 13 2 2 DG H4' H 4.540 0.002 1 14 2 2 DG H5' H 4.338 0.001 2 15 2 2 DG H5'' H 4.287 0.002 2 16 2 2 DG H8 H 7.713 0.001 1 17 2 2 DG C8 C 137.705 . 1 18 3 3 DG H1 H 11.175 0.001 1 19 3 3 DG H1' H 6.189 0.001 1 20 3 3 DG H2' H 2.637 0.002 1 21 3 3 DG H2'' H 2.584 0.003 1 22 3 3 DG H3' H 4.993 0.003 1 23 3 3 DG H4' H 4.211 . 1 24 3 3 DG H5' H 4.090 0.0 2 25 3 3 DG H5'' H 3.877 0.001 2 26 3 3 DG H8 H 7.605 0.001 1 27 3 3 DG C8 C 137.472 . 1 28 4 4 DA H1' H 6.589 0.002 1 29 4 4 DA H2 H 8.330 0.001 1 30 4 4 DA H2' H 2.939 0.004 1 31 4 4 DA H2'' H 2.887 0.003 1 32 4 4 DA H3' H 4.908 0.003 1 33 4 4 DA H4' H 4.602 0.004 1 34 4 4 DA H5' H 4.152 0.001 2 35 4 4 DA H5'' H 4.213 0.002 2 36 4 4 DA H8 H 8.571 0.002 1 37 4 4 DA C2 C 155.529 . 1 38 4 4 DA C8 C 142.785 . 1 39 5 5 DT H1' H 6.546 0.002 1 40 5 5 DT H2' H 2.584 0.003 1 41 5 5 DT H2'' H 2.639 0.002 1 42 5 5 DT H3' H 5.022 . 1 43 5 5 DT H4' H 4.509 . 1 44 5 5 DT H6 H 7.837 0.001 1 45 5 5 DT H71 H 2.023 0.001 1 46 5 5 DT H72 H 2.023 0.001 1 47 5 5 DT H73 H 2.023 0.001 1 48 5 5 DT C6 C 140.200 . 1 49 6 6 GF2 H1' H 6.024 0.002 1 50 6 6 GF2 H2' H 5.396 0.001 1 51 6 6 GF2 H3' H 4.864 0.002 1 52 6 6 GF2 H4' H 4.566 . 1 53 6 6 GF2 H8 H 8.013 0.001 1 54 6 6 GF2 C8 C 138.084 . 1 55 6 6 GF2 HN1 H 11.517 0.001 1 56 7 7 DG H1 H 11.353 0.002 1 57 7 7 DG H1' H 5.999 0.003 1 58 7 7 DG H2' H 2.581 0.005 1 59 7 7 DG H2'' H 2.693 0.002 1 60 7 7 DG H3' H 5.025 0.004 1 61 7 7 DG H8 H 7.773 0.001 1 62 7 7 DG C8 C 137.825 . 1 63 8 8 DG H1 H 11.109 0.002 1 64 8 8 DG H1' H 5.920 0.001 1 65 8 8 DG H2' H 2.125 0.002 1 66 8 8 DG H2'' H 2.411 0.001 1 67 8 8 DG H3' H 4.950 0.002 1 68 8 8 DG H8 H 7.515 0.001 1 69 8 8 DG C8 C 136.800 . 1 70 9 9 DA H1' H 6.042 0.001 1 71 9 9 DA H2 H 7.756 0.0 1 72 9 9 DA H2' H 2.679 0.002 1 73 9 9 DA H2'' H 2.524 0.001 1 74 9 9 DA H3' H 4.954 0.001 1 75 9 9 DA H8 H 8.053 0.001 1 76 9 9 DA C2 C 154.815 . 1 77 9 9 DA C8 C 141.592 . 1 78 10 10 DC H1' H 5.865 0.003 1 79 10 10 DC H2' H 1.783 0.004 1 80 10 10 DC H2'' H 2.164 0.002 1 81 10 10 DC H3' H 4.584 0.001 1 82 10 10 DC H5 H 5.908 0.004 1 83 10 10 DC H6 H 7.571 0.002 1 84 10 10 DC C6 C 143.444 . 1 85 11 11 DA H1' H 5.748 0.004 1 86 11 11 DA H2 H 7.668 0.002 1 87 11 11 DA H2' H 2.369 0.001 1 88 11 11 DA H2'' H 2.100 0.002 1 89 11 11 DA H3' H 4.477 0.002 1 90 11 11 DA H4' H 3.925 0.002 1 91 11 11 DA H8 H 7.830 0.001 1 92 11 11 DA C2 C 154.859 . 1 93 11 11 DA C8 C 141.565 . 1 94 12 12 DC H1' H 5.512 0.002 1 95 12 12 DC H2' H 1.733 0.002 1 96 12 12 DC H2'' H 1.997 0.002 1 97 12 12 DC H3' H 4.380 0.002 1 98 12 12 DC H4' H 3.572 0.004 1 99 12 12 DC H5 H 5.182 0.001 1 100 12 12 DC H5' H 3.520 0.003 1 101 12 12 DC H5'' H 3.386 0.002 1 102 12 12 DC H6 H 7.022 0.001 1 103 12 12 DC C6 C 143.637 . 1 104 13 13 DA H1' H 5.776 0.005 1 105 13 13 DA H2 H 7.760 0.001 1 106 13 13 DA H2' H 2.295 0.004 1 107 13 13 DA H2'' H 2.618 0.002 1 108 13 13 DA H3' H 4.743 0.001 1 109 13 13 DA H4' H 4.060 0.0 1 110 13 13 DA H5' H 3.745 0.003 2 111 13 13 DA H5'' H 3.306 0.002 2 112 13 13 DA H8 H 7.883 0.001 1 113 13 13 DA C8 C 141.269 . 1 114 14 14 DG H1 H 11.366 0.002 1 115 14 14 DG H1' H 6.037 0.002 1 116 14 14 DG H2' H 3.656 0.003 1 117 14 14 DG H2'' H 3.098 0.002 1 118 14 14 DG H3' H 4.862 . 1 119 14 14 DG H8 H 7.224 0.002 1 120 14 14 DG C8 C 141.298 . 1 121 15 15 DG H1 H 11.427 0.001 1 122 15 15 DG H1' H 5.806 0.001 1 123 15 15 DG H2' H 2.928 0.001 1 124 15 15 DG H2'' H 2.814 0.003 1 125 15 15 DG H3' H 5.014 0.001 1 126 15 15 DG H8 H 7.330 0.001 1 127 15 15 DG C8 C 140.616 . 1 128 16 16 DG H1 H 10.937 0.001 1 129 16 16 DG H1' H 5.826 0.002 1 130 16 16 DG H2' H 2.654 0.004 1 131 16 16 DG H2'' H 2.320 0.001 1 132 16 16 DG H3' H 4.966 . 1 133 16 16 DG H4' H 4.298 . 1 134 16 16 DG H8 H 7.520 0.002 1 135 16 16 DG C8 C 141.258 . 1 136 17 17 DG H1' H 5.572 0.002 1 137 17 17 DG H2' H 2.293 0.001 2 138 17 17 DG H2'' H 2.354 . 2 139 17 17 DG H3' H 4.743 0.002 1 140 17 17 DG H8 H 7.791 0.002 1 141 17 17 DG C8 C 139.005 . 1 142 18 18 DA H1' H 6.048 0.003 1 143 18 18 DA H2 H 7.575 0.001 1 144 18 18 DA H2' H 2.334 0.001 1 145 18 18 DA H2'' H 2.334 0.001 1 146 18 18 DA H3' H 4.689 0.001 1 147 18 18 DA H5' H 3.784 0.005 2 148 18 18 DA H5'' H 3.611 0.002 2 149 18 18 DA H8 H 7.864 0.001 1 150 18 18 DA C2 C 154.379 . 1 151 18 18 DA C8 C 141.309 . 1 152 19 19 DC H1' H 5.597 0.006 1 153 19 19 DC H2' H 2.138 0.002 1 154 19 19 DC H2'' H 2.369 0.001 1 155 19 19 DC H3' H 4.589 . 1 156 19 19 DC H4' H 4.237 0.003 1 157 19 19 DC H5 H 5.740 0.002 1 158 19 19 DC H5' H 3.695 0.004 1 159 19 19 DC H5'' H 3.552 0.002 1 160 19 19 DC H6 H 7.312 0.001 1 161 19 19 DC C6 C 142.849 . 1 162 20 20 GF2 H1' H 5.845 0.002 1 163 20 20 GF2 H2' H 5.805 0.002 1 164 20 20 GF2 H3' H 4.971 0.001 1 165 20 20 GF2 H4' H 4.571 0.002 1 166 20 20 GF2 H5' H 4.051 0.0 2 167 20 20 GF2 H8 H 8.236 0.001 1 168 20 20 GF2 C8 C 138.635 . 1 169 20 20 GF2 HN1 H 11.684 0.003 1 170 21 21 DG H1 H 11.536 0.003 1 171 21 21 DG H1' H 6.011 0.004 1 172 21 21 DG H2' H 2.569 0.002 1 173 21 21 DG H2'' H 2.682 0.002 1 174 21 21 DG H3' H 5.046 0.001 1 175 21 21 DG H8 H 7.688 0.002 1 176 21 21 DG C8 C 137.754 . 1 177 22 22 DG H1 H 11.427 0.001 1 178 22 22 DG H1' H 6.316 0.001 1 179 22 22 DG H2' H 2.587 0.002 1 180 22 22 DG H2'' H 2.436 0.0 1 181 22 22 DG H3' H 4.683 0.001 1 182 22 22 DG H4' H 4.341 0.003 1 183 22 22 DG H8 H 7.871 0.001 1 184 22 22 DG C8 C 137.643 . 1 stop_ save_