data_34062 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Quadruplex with flipped tetrad formed by a human telomeric sequence ; _BMRB_accession_number 34062 _BMRB_flat_file_name bmr34062.str _Entry_type original _Submission_date 2016-11-08 _Accession_date 2016-11-08 _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" 197 "13C chemical shifts" 46 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 34063 'Quadruplex with flipped tetrad formed by an artificial 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 "G-quadruplex formed by a human telomeric sequence modified with 2'-fluoro-2'-deoxyriboguanosine" _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 7645.855 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; TTXGGTTAXGGTTAGGGTTA XGGA ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DT 3 GF2 4 DG 5 DG 6 DT 7 DT 8 DA 9 GF2 10 DG 11 DG 12 DT 13 DT 14 DA 15 DG 16 DG 17 DG 18 DT 19 DT 20 DA 21 GF2 22 DG 23 DG 24 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### 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 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 _Details $entity_1 'chemical synthesis' . . . . . telomere stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.59 mM DNA, 10.0 mM potassium phosphate, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.59 mM 'natural abundance' 'potassium phosphate' 10.0 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.59 mM DNA, 10.0 mM potassium phosphate, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.59 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 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _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_HMBC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HMBC' _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_ ####################### # 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 internal 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' '2D HMBC' 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 DT H1' H 5.471 0.004 1 2 1 1 DT H2' H 1.753 0.004 1 3 1 1 DT H2'' H 2.267 0.004 1 4 1 1 DT H3' H 4.534 0.003 1 5 1 1 DT H4' H 3.979 0.002 1 6 1 1 DT H5' H 3.432 0.005 2 7 1 1 DT H5'' H 3.432 0.005 2 8 1 1 DT H6 H 7.109 0.002 1 9 1 1 DT H71 H 1.306 0.002 1 10 1 1 DT H72 H 1.306 0.002 1 11 1 1 DT H73 H 1.306 0.002 1 12 1 1 DT C4' C 88.488 . 1 13 1 1 DT C5' C 63.912 . 1 14 1 1 DT C6 C 138.528 . 1 15 2 2 DT H1' H 5.661 0.003 1 16 2 2 DT H2' H 2.552 0.006 1 17 2 2 DT H2'' H 2.436 0.004 1 18 2 2 DT H3' H 4.739 0.002 1 19 2 2 DT H4' H 4.176 0.003 1 20 2 2 DT H5' H 3.901 0.005 2 21 2 2 DT H5'' H 3.790 0.003 2 22 2 2 DT H6 H 7.187 0.003 1 23 2 2 DT H71 H 1.555 0.003 1 24 2 2 DT H72 H 1.555 0.003 1 25 2 2 DT H73 H 1.555 0.003 1 26 2 2 DT C6 C 142.350 . 1 27 3 3 GF2 H1' H 5.883 0.003 1 28 3 3 GF2 H2' H 5.640 0.005 1 29 3 3 GF2 H3' H 4.890 0.004 1 30 3 3 GF2 H4' H 4.573 0.002 1 31 3 3 GF2 H8 H 8.088 0.003 1 32 3 3 GF2 C8 C 137.250 . 1 33 3 3 GF2 HN1 H 11.898 0.002 1 34 4 4 DG H1 H 11.527 0.004 1 35 4 4 DG H1' H 6.041 0.003 1 36 4 4 DG H2' H 2.427 0.004 1 37 4 4 DG H2'' H 2.483 0.004 1 38 4 4 DG H3' H 4.778 0.005 1 39 4 4 DG H4' H 4.333 0.003 1 40 4 4 DG H8 H 7.554 0.003 1 41 4 4 DG C8 C 137.200 . 1 42 5 5 DG H1 H 11.098 0.004 1 43 5 5 DG H1' H 6.368 0.004 1 44 5 5 DG H2' H 2.622 0.004 1 45 5 5 DG H2'' H 2.565 0.002 1 46 5 5 DG H3' H 4.973 0.004 1 47 5 5 DG H4' H 4.426 0.003 1 48 5 5 DG H5' H 4.104 . 2 49 5 5 DG H5'' H 3.938 0.001 2 50 5 5 DG H8 H 7.916 0.003 1 51 5 5 DG C1' C 85.427 . 1 52 5 5 DG C8 C 137.662 . 1 53 6 6 DT H1' H 6.106 0.003 1 54 6 6 DT H2' H 1.957 0.002 1 55 6 6 DT H2'' H 2.314 0.003 1 56 6 6 DT H3' H 4.809 0.003 1 57 6 6 DT H4' H 4.227 0.002 1 58 6 6 DT H6 H 7.561 0.003 1 59 6 6 DT H71 H 1.959 0.003 1 60 6 6 DT H72 H 1.959 0.003 1 61 6 6 DT H73 H 1.959 0.003 1 62 6 6 DT C1' C 87.718 . 1 63 6 6 DT C6 C 139.538 . 1 64 7 7 DT H1' H 6.347 0.003 1 65 7 7 DT H2' H 2.493 0.003 1 66 7 7 DT H2'' H 2.493 0.003 1 67 7 7 DT H3' H 4.876 0.003 1 68 7 7 DT H4' H 4.322 0.002 1 69 7 7 DT H5' H 4.154 0.002 2 70 7 7 DT H5'' H 4.072 0.004 2 71 7 7 DT H6 H 7.694 0.003 1 72 7 7 DT H71 H 1.972 0.002 1 73 7 7 DT H72 H 1.972 0.002 1 74 7 7 DT H73 H 1.972 0.002 1 75 7 7 DT C1' C 88.002 . 1 76 7 7 DT C6 C 139.841 . 1 77 8 8 DA H1' H 6.554 0.004 1 78 8 8 DA H2 H 8.272 0.003 1 79 8 8 DA H2' H 3.057 0.004 1 80 8 8 DA H2'' H 2.864 0.004 1 81 8 8 DA H3' H 5.169 0.004 1 82 8 8 DA H4' H 4.496 0.002 1 83 8 8 DA H5' H 4.201 0.001 2 84 8 8 DA H5'' H 4.137 0.004 2 85 8 8 DA H8 H 8.502 0.003 1 86 8 8 DA C1' C 86.166 . 1 87 8 8 DA C2 C 155.455 . 1 88 8 8 DA C2' C 40.665 0.006 1 89 8 8 DA C8 C 142.572 . 1 90 9 9 GF2 H1' H 6.006 0.004 1 91 9 9 GF2 H2' H 5.573 0.004 1 92 9 9 GF2 H3' H 4.912 0.005 1 93 9 9 GF2 H4' H 4.538 0.003 1 94 9 9 GF2 H5' H 4.236 0.001 1 95 9 9 GF2 H8 H 8.111 0.003 1 96 9 9 GF2 C2 C 93.504 . 1 97 9 9 GF2 C8 C 137.740 . 1 98 9 9 GF2 HN1 H 11.697 0.002 1 99 10 10 DG H1 H 11.637 0.003 1 100 10 10 DG H1' H 5.984 0.004 1 101 10 10 DG H2' H 2.561 0.005 1 102 10 10 DG H2'' H 2.669 0.004 1 103 10 10 DG H3' H 5.023 0.004 1 104 10 10 DG H4' H 4.444 0.002 1 105 10 10 DG H8 H 7.739 0.003 1 106 10 10 DG C4' C 86.666 . 1 107 10 10 DG C8 C 137.640 . 1 108 11 11 DG H1 H 11.434 0.003 1 109 11 11 DG H1' H 6.317 0.004 1 110 11 11 DG H2' H 2.712 0.004 1 111 11 11 DG H2'' H 2.622 0.003 1 112 11 11 DG H3' H 5.065 0.004 1 113 11 11 DG H4' H 4.559 0.002 1 114 11 11 DG H8 H 7.967 0.003 1 115 11 11 DG C1' C 84.539 . 1 116 11 11 DG C8 C 137.082 . 1 117 12 12 DT H1' H 6.244 0.005 1 118 12 12 DT H2' H 2.354 0.003 1 119 12 12 DT H2'' H 2.489 0.004 1 120 12 12 DT H3' H 4.733 0.004 1 121 12 12 DT H4' H 4.246 0.006 1 122 12 12 DT H6 H 7.573 0.003 1 123 12 12 DT H71 H 1.856 0.002 1 124 12 12 DT H72 H 1.856 0.002 1 125 12 12 DT H73 H 1.856 0.002 1 126 12 12 DT C1' C 87.658 . 1 127 12 12 DT C6 C 139.885 . 1 128 13 13 DT H1' H 5.418 0.006 1 129 13 13 DT H2' H 1.417 0.003 1 130 13 13 DT H2'' H 2.232 0.004 1 131 13 13 DT H3' H 4.491 0.003 1 132 13 13 DT H4' H 4.021 0.003 1 133 13 13 DT H5' H 3.845 0.005 2 134 13 13 DT H5'' H 3.655 0.004 2 135 13 13 DT H6 H 6.701 0.003 1 136 13 13 DT H71 H 1.289 0.002 1 137 13 13 DT H72 H 1.289 0.002 1 138 13 13 DT H73 H 1.289 0.002 1 139 13 13 DT C4' C 86.652 . 1 140 13 13 DT C6 C 137.250 . 1 141 14 14 DA H1' H 6.202 0.004 1 142 14 14 DA H2 H 7.365 0.001 1 143 14 14 DA H2' H 2.125 0.004 1 144 14 14 DA H2'' H 2.443 0.002 1 145 14 14 DA H3' H 4.626 0.004 1 146 14 14 DA H4' H 4.032 0.004 1 147 14 14 DA H5' H 2.796 0.005 1 148 14 14 DA H5'' H 3.378 0.004 1 149 14 14 DA H8 H 7.745 0.002 1 150 14 14 DA C1' C 87.472 . 1 151 14 14 DA C2 C 153.804 . 1 152 14 14 DA C4' C 87.736 . 1 153 14 14 DA C5' C 67.446 0.013 1 154 14 14 DA C8 C 142.447 . 1 155 15 15 DG H1 H 11.429 0.004 1 156 15 15 DG H1' H 6.078 0.005 1 157 15 15 DG H2' H 3.535 0.005 1 158 15 15 DG H2'' H 3.058 0.003 1 159 15 15 DG H3' H 4.814 . 1 160 15 15 DG H8 H 7.362 0.002 1 161 15 15 DG C1' C 88.734 . 1 162 15 15 DG C8 C 141.474 . 1 163 16 16 DG H1 H 11.251 0.003 1 164 16 16 DG H1' H 5.883 0.004 1 165 16 16 DG H2' H 2.922 0.004 1 166 16 16 DG H2'' H 2.785 0.004 1 167 16 16 DG H3' H 5.014 0.003 1 168 16 16 DG H8 H 7.391 0.003 1 169 16 16 DG C8 C 140.611 . 1 170 17 17 DG H1 H 11.029 0.003 1 171 17 17 DG H1' H 6.002 0.005 1 172 17 17 DG H2' H 3.121 0.004 1 173 17 17 DG H2'' H 2.214 0.003 1 174 17 17 DG H3' H 5.080 0.003 1 175 17 17 DG H4' H 4.322 . 1 176 17 17 DG H8 H 7.633 0.002 1 177 17 17 DG C8 C 141.051 . 1 178 18 18 DT H1' H 5.926 0.003 1 179 18 18 DT H2' H 2.332 0.003 1 180 18 18 DT H2'' H 2.527 0.004 1 181 18 18 DT H3' H 5.072 0.002 1 182 18 18 DT H6 H 7.579 0.003 1 183 18 18 DT H71 H 1.710 0.004 1 184 18 18 DT H72 H 1.710 0.004 1 185 18 18 DT H73 H 1.710 0.004 1 186 18 18 DT C6 C 141.169 . 1 187 19 19 DT H1' H 5.917 0.003 1 188 19 19 DT H2' H 1.594 0.004 1 189 19 19 DT H2'' H 2.180 0.002 1 190 19 19 DT H3' H 4.754 0.013 1 191 19 19 DT H4' H 4.191 0.001 1 192 19 19 DT H6 H 7.232 0.004 1 193 19 19 DT H71 H 1.523 0.003 1 194 19 19 DT H72 H 1.523 0.003 1 195 19 19 DT H73 H 1.523 0.003 1 196 19 19 DT C6 C 138.680 . 1 197 20 20 DA H1' H 5.749 0.003 1 198 20 20 DA H2 H 7.763 0.003 1 199 20 20 DA H2' H 2.779 0.002 1 200 20 20 DA H2'' H 2.855 0.003 1 201 20 20 DA H3' H 4.985 0.003 1 202 20 20 DA H4' H 4.310 0.002 1 203 20 20 DA H5' H 4.050 . 2 204 20 20 DA H5'' H 3.941 0.001 2 205 20 20 DA H8 H 8.252 0.002 1 206 20 20 DA C1' C 84.742 . 1 207 20 20 DA C2 C 154.380 . 1 208 20 20 DA C8 C 141.508 . 1 209 21 21 GF2 H1' H 5.991 0.003 1 210 21 21 GF2 H2' H 5.483 0.003 1 211 21 21 GF2 H3' H 4.890 0.003 1 212 21 21 GF2 H4' H 4.663 0.0 1 213 21 21 GF2 H8 H 7.804 0.003 1 214 21 21 GF2 C8 C 136.665 . 1 215 21 21 GF2 HN1 H 11.556 0.003 1 216 22 22 DG H1 H 11.144 0.003 1 217 22 22 DG H1' H 6.035 0.003 1 218 22 22 DG H2' H 2.499 0.003 1 219 22 22 DG H2'' H 2.711 0.002 1 220 22 22 DG H3' H 4.883 0.003 1 221 22 22 DG H4' H 4.437 0.003 1 222 22 22 DG H8 H 7.537 0.003 1 223 22 22 DG C8 C 136.687 . 1 224 23 23 DG H1 H 10.774 0.003 1 225 23 23 DG H1' H 5.850 0.003 1 226 23 23 DG H2' H 2.109 0.004 1 227 23 23 DG H2'' H 2.481 0.004 1 228 23 23 DG H3' H 4.912 0.006 1 229 23 23 DG H4' H 4.361 0.003 1 230 23 23 DG H5' H 4.189 0.002 2 231 23 23 DG H5'' H 4.131 0.004 2 232 23 23 DG H8 H 7.404 0.003 1 233 23 23 DG C8 C 136.904 . 1 234 24 24 DA H1' H 6.137 0.003 1 235 24 24 DA H2 H 7.606 0.003 1 236 24 24 DA H2' H 2.728 0.003 1 237 24 24 DA H2'' H 2.423 0.003 1 238 24 24 DA H3' H 4.691 0.003 1 239 24 24 DA H4' H 4.204 0.004 1 240 24 24 DA H8 H 7.927 0.002 1 241 24 24 DA C1' C 85.262 . 1 242 24 24 DA C2 C 154.167 . 1 243 24 24 DA C8 C 141.172 . 1 stop_ save_