data_19035 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; G-rich VEGF aptamer with LNA modifications ; _BMRB_accession_number 19035 _BMRB_flat_file_name bmr19035.str _Entry_type original _Submission_date 2013-02-13 _Accession_date 2013-02-13 _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 Marusic Maja . . 2 Veedu Rakesh N. . 3 Plavec Janez . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 189 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-09 update BMRB 'update entry citation' 2013-08-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'G-rich VEGF aptamer with locked and unlocked nucleic acid modifications exhibits a unique G-quadruplex fold.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23935071 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marusic Maja . . 2 Veedu Rakesh N. . 3 Wengel Jesper . . 4 Plavec Janez . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 41 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9524 _Page_last 9536 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'G-rich VEGF aptamer with LNA modifications' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA/RNA (25-MER)' $DNA-RNA_(25-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-RNA_(25-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA-RNA_(25-MER) _Molecular_mass 8001.162 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 25 _Mol_residue_sequence ; TGTGXGGGTGGACGGGCCGG XTAXA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DT 2 2 DG 3 3 DT 4 4 DG 5 5 LCG 6 6 DG 7 7 DG 8 8 DG 9 9 DT 10 10 DG 11 11 DG 12 12 DA 13 13 DC 14 14 DG 15 15 DG 16 16 DG 17 17 DC 18 18 DC 19 19 DG 20 20 DG 21 21 LCG 22 22 DT 23 23 DA 24 24 LCG 25 25 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_LCG _Saveframe_category polymer_residue _Mol_type 'RNA LINKING' _Name_common '[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE' _BMRB_code LCG _PDB_code LCG _Standard_residue_derivative . _Molecular_mass 375.231 _Mol_paramagnetic no _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 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C3' C3' C . 0 . ? C6' C6' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? C4 C4 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C2' C2' C . 0 . ? O6 O6 O . 0 . ? C4' C4' C . 0 . ? C1' C1' C . 0 . ? C2 C2 C . 0 . ? N1 N1 N . 0 . ? O4' O4' O . 0 . ? OP2 OP2 O . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? O2' O2' O . 0 . ? O3' O3' O . 0 . ? OP3 OP3 O . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H3' H3' H . 0 . ? H6'1 H6'1 H . 0 . ? H6'2 H6'2 H . 0 . ? H8 H8 H . 0 . ? H2' H2' H . 0 . ? H1' H1' H . 0 . ? H1 H1 H . 0 . ? HOP2 HOP2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 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 O5' ? ? SING P OP2 ? ? SING P OP3 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C3' C2' ? ? SING C3' C4' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING C6' C4' ? ? SING C6' O2' ? ? SING C6' H6'1 ? ? SING C6' H6'2 ? ? SING N9 C8 ? ? SING N9 C4 ? ? SING N9 C1' ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? DOUB C4 C5 ? ? SING C4 N3 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING C2' C1' ? ? SING C2' O2' ? ? SING C2' H2' ? ? SING C4' O4' ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING C2 N1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N1 H1 ? ? SING OP2 HOP2 ? ? SING N2 H21 ? ? SING N2 H22 ? ? 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-RNA_(25-MER) . . . . . . 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-RNA_(25-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 _Isotopic_labeling $DNA-RNA_(25-MER) 0.5 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 90 mM '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 _Isotopic_labeling $DNA-RNA_(25-MER) 0.5 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA-RNA_(25-MER) 0.5 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 90 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 11 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task 'data analysis' refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address 'Agilent Technologies' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian/Agilent _Model VNMRS _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian/Agilent _Model VNMRS _Field_strength 800 _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_3 save_ save_2D_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_3 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_3 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-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 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 273 . 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' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . 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 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 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 DQF-COSY' '2D 1H-1H COSY' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA/RNA (25-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 5.935 0.005 1 2 1 1 DT H2' H 1.794 0.004 1 3 1 1 DT H2'' H 2.124 0.005 1 4 1 1 DT H3' H 4.422 0.004 1 5 1 1 DT H4' H 4.409 0.003 1 6 1 1 DT H5' H 3.496 0.000 2 7 1 1 DT H6 H 7.383 0.004 1 8 1 1 DT H71 H 1.715 0.004 2 9 1 1 DT H72 H 1.715 0.004 2 10 1 1 DT H73 H 1.715 0.004 2 11 2 2 DG H1' H 5.782 0.005 1 12 2 2 DG H2' H 2.441 0.003 2 13 2 2 DG H2'' H 2.441 0.003 2 14 2 2 DG H3' H 4.677 0.000 1 15 2 2 DG H4' H 4.050 0.000 1 16 2 2 DG H5' H 3.655 0.000 2 17 2 2 DG H5'' H 3.750 0.000 2 18 2 2 DG H8 H 7.503 0.006 1 19 3 3 DT H1' H 5.792 0.009 1 20 3 3 DT H2' H 1.956 0.005 1 21 3 3 DT H2'' H 2.322 0.005 1 22 3 3 DT H3' H 4.653 0.000 1 23 3 3 DT H4' H 3.927 0.006 1 24 3 3 DT H5' H 3.765 0.000 2 25 3 3 DT H5'' H 3.420 0.000 2 26 3 3 DT H6 H 7.243 0.012 1 27 3 3 DT H71 H 1.528 0.009 2 28 3 3 DT H72 H 1.528 0.009 2 29 3 3 DT H73 H 1.528 0.009 2 30 4 4 DG H1 H 11.788 0.003 1 31 4 4 DG H1' H 6.288 0.009 1 32 4 4 DG H2' H 2.885 0.023 2 33 4 4 DG H2'' H 2.875 0.021 2 34 4 4 DG H3' H 5.003 0.009 1 35 4 4 DG H4' H 4.421 0.008 1 36 4 4 DG H5' H 3.948 0.009 2 37 4 4 DG H5'' H 4.087 0.006 2 38 4 4 DG H8 H 8.113 0.003 1 39 5 5 LCG H1 H 11.242 0.003 1 40 5 5 LCG H1' H 5.905 0.001 1 41 5 5 LCG H2' H 4.998 0.002 1 42 5 5 LCG H21 H 9.569 0.007 1 43 5 5 LCG H22 H 6.982 0.012 1 44 5 5 LCG H3' H 4.832 0.012 1 45 5 5 LCG H6'1 H 4.424 0.003 1 46 5 5 LCG H6'2 H 4.420 0.001 1 47 5 5 LCG H8 H 7.455 0.004 1 48 6 6 DG H1 H 10.715 0.004 1 49 6 6 DG H1' H 6.529 0.004 1 50 6 6 DG H2' H 2.552 0.004 1 51 6 6 DG H2'' H 2.693 0.002 1 52 6 6 DG H3' H 5.034 0.002 1 53 6 6 DG H4' H 4.863 0.000 1 54 6 6 DG H5' H 4.178 0.003 2 55 6 6 DG H5'' H 4.416 0.001 2 56 6 6 DG H8 H 7.946 0.002 1 57 7 7 DG H1 H 11.290 0.006 1 58 7 7 DG H1' H 6.084 0.008 1 59 7 7 DG H2' H 2.583 0.009 2 60 7 7 DG H2'' H 2.583 0.009 2 61 7 7 DG H3' H 5.006 0.000 1 62 7 7 DG H8 H 7.568 0.004 1 63 7 7 DG H21 H 8.947 0.000 1 64 8 8 DG H1 H 10.998 0.005 1 65 8 8 DG H1' H 6.361 0.006 1 66 8 8 DG H2' H 2.656 0.005 2 67 8 8 DG H2'' H 2.601 0.005 2 68 8 8 DG H8 H 7.893 0.004 1 69 9 9 DT H1' H 5.928 0.005 1 70 9 9 DT H2' H 2.260 0.004 1 71 9 9 DT H2'' H 2.559 0.003 1 72 9 9 DT H4' H 4.330 0.000 1 73 9 9 DT H6 H 7.358 0.004 1 74 9 9 DT H71 H 1.876 0.005 2 75 9 9 DT H72 H 1.876 0.005 2 76 9 9 DT H73 H 1.876 0.005 2 77 10 10 DG H1' H 6.457 0.004 1 78 10 10 DG H2' H 2.679 0.005 1 79 10 10 DG H2'' H 2.876 0.002 1 80 10 10 DG H3' H 5.252 0.003 1 81 10 10 DG H4' H 4.330 0.000 1 82 10 10 DG H5' H 4.420 0.009 2 83 10 10 DG H5'' H 4.501 0.000 2 84 10 10 DG H8 H 8.140 0.001 1 85 11 11 DG H1 H 11.539 0.005 1 86 11 11 DG H1' H 6.265 0.005 1 87 11 11 DG H2' H 2.789 0.006 2 88 11 11 DG H2'' H 2.789 0.005 2 89 11 11 DG H3' H 5.021 0.012 1 90 11 11 DG H4' H 4.259 0.003 1 91 11 11 DG H8 H 8.113 0.003 1 92 12 12 DA H1' H 6.531 0.003 1 93 12 12 DA H2 H 8.372 0.002 1 94 12 12 DA H2' H 3.072 0.008 1 95 12 12 DA H2'' H 2.881 0.006 1 96 12 12 DA H3' H 5.013 0.008 1 97 12 12 DA H4' H 4.471 0.005 1 98 12 12 DA H5' H 4.239 0.002 2 99 12 12 DA H8 H 8.546 0.003 1 100 13 13 DC H1' H 6.303 0.007 1 101 13 13 DC H2' H 2.360 0.007 1 102 13 13 DC H2'' H 2.740 0.005 1 103 13 13 DC H3' H 4.476 0.000 1 104 13 13 DC H5 H 5.974 0.009 1 105 13 13 DC H6 H 7.897 0.005 1 106 14 14 DG H1 H 11.740 0.003 1 107 14 14 DG H1' H 6.123 0.006 1 108 14 14 DG H2' H 2.508 0.006 1 109 14 14 DG H2'' H 2.990 0.005 1 110 14 14 DG H3' H 4.940 0.002 1 111 14 14 DG H4' H 4.396 0.000 1 112 14 14 DG H5' H 4.040 0.000 2 113 14 14 DG H5'' H 3.725 0.000 2 114 14 14 DG H8 H 7.871 0.005 1 115 15 15 DG H1 H 11.492 0.007 1 116 15 15 DG H1' H 6.115 0.003 1 117 15 15 DG H2' H 2.827 0.008 2 118 15 15 DG H2'' H 2.808 0.011 2 119 15 15 DG H8 H 7.898 0.002 1 120 16 16 DG H1 H 11.156 0.004 1 121 16 16 DG H1' H 6.470 0.009 1 122 16 16 DG H2' H 2.734 0.012 1 123 16 16 DG H2'' H 2.631 0.005 1 124 16 16 DG H3' H 5.088 0.004 1 125 16 16 DG H4' H 4.572 0.000 1 126 16 16 DG H8 H 7.865 0.004 1 127 17 17 DC H1' H 6.422 0.005 1 128 17 17 DC H2' H 2.350 0.006 1 129 17 17 DC H2'' H 2.649 0.005 1 130 17 17 DC H4' H 4.374 0.000 1 131 17 17 DC H5 H 6.179 0.004 1 132 17 17 DC H6 H 7.949 0.005 1 133 18 18 DC H1' H 6.409 0.004 1 134 18 18 DC H2' H 2.590 0.010 1 135 18 18 DC H2'' H 2.762 0.005 1 136 18 18 DC H3' H 5.004 0.001 1 137 18 18 DC H5 H 6.173 0.004 1 138 18 18 DC H6 H 7.934 0.004 1 139 19 19 DG H1 H 11.616 0.006 1 140 19 19 DG H1' H 6.079 0.004 1 141 19 19 DG H2' H 2.478 0.004 1 142 19 19 DG H2'' H 2.918 0.006 1 143 19 19 DG H3' H 5.057 0.001 1 144 19 19 DG H4' H 4.435 0.003 1 145 19 19 DG H5' H 4.092 0.003 2 146 19 19 DG H5'' H 4.221 0.004 2 147 19 19 DG H8 H 7.980 0.003 1 148 20 20 DG H1 H 11.543 0.001 1 149 20 20 DG H1' H 6.100 0.005 1 150 20 20 DG H2' H 2.870 0.007 1 151 20 20 DG H2'' H 2.714 0.002 1 152 20 20 DG H3' H 5.128 0.002 1 153 20 20 DG H4' H 4.524 0.000 1 154 20 20 DG H5' H 4.292 0.003 2 155 20 20 DG H5'' H 4.226 0.001 2 156 20 20 DG H8 H 7.905 0.008 1 157 20 20 DG H21 H 6.072 0.000 1 158 20 20 DG H22 H 8.717 0.003 1 159 21 21 LCG H1 H 11.415 0.009 1 160 21 21 LCG H1' H 6.074 0.014 1 161 21 21 LCG H2' H 4.846 0.007 1 162 21 21 LCG H3' H 4.773 0.000 1 163 21 21 LCG H6'1 H 4.205 0.003 1 164 21 21 LCG H8 H 7.386 0.003 1 165 22 22 DT H1' H 5.941 0.003 1 166 22 22 DT H2' H 1.954 0.003 1 167 22 22 DT H2'' H 2.263 0.004 1 168 22 22 DT H3' H 5.195 0.001 1 169 22 22 DT H4' H 4.140 0.000 1 170 22 22 DT H6 H 7.303 0.007 1 171 22 22 DT H71 H 1.528 0.007 2 172 22 22 DT H72 H 1.528 0.007 2 173 22 22 DT H73 H 1.528 0.007 2 174 23 23 DA H1' H 6.106 0.005 1 175 23 23 DA H2' H 2.520 0.006 2 176 23 23 DA H2'' H 2.520 0.006 2 177 23 23 DA H8 H 8.215 0.002 1 178 24 24 LCG H1' H 5.196 0.001 1 179 24 24 LCG H3' H 4.505 0.005 1 180 24 24 LCG H6'1 H 3.877 0.000 1 181 24 24 LCG H8 H 6.890 0.003 1 182 25 25 DA H1' H 5.673 0.004 1 183 25 25 DA H2' H 2.295 0.005 2 184 25 25 DA H2'' H 2.295 0.005 2 185 25 25 DA H3' H 4.363 0.004 1 186 25 25 DA H4' H 3.974 0.000 1 187 25 25 DA H5' H 3.903 0.000 2 188 25 25 DA H5'' H 3.936 0.000 2 189 25 25 DA H8 H 7.606 0.006 1 stop_ save_