data_25651 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Isolation and structural characterization of an active G-quadruplex motif from AGRO100 ; _BMRB_accession_number 25651 _BMRB_flat_file_name bmr25651.str _Entry_type original _Submission_date 2015-06-05 _Accession_date 2015-06-05 _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 Chung 'Wan Jun' . . 2 Heddi Brahim . . 3 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" 247 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-05 original BMRB . stop_ _Original_release_date 2016-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Isolation and structural characterization of an active G-quadruplex motif from AGRO100 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chung 'Wan Jun' . . 2 Heddi Brahim . . 3 Phan 'Anh Tuan' . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'active G-quadruplex motif from AGRO100' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (28-MER)' $DNA_(28-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_(28-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(28-MER) _Molecular_mass 8872.726 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; TGGTGGTGGTTGTTGTGGTG GTGGTGGT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DT 2 2 DG 3 3 DG 4 4 DT 5 5 DG 6 6 DG 7 7 DT 8 8 DG 9 9 DG 10 10 DT 11 11 DT 12 12 DG 13 13 DT 14 14 DT 15 15 DG 16 16 DT 17 17 DG 18 18 DG 19 19 DT 20 20 DG 21 21 DG 22 22 DT 23 23 DG 24 24 DG 25 25 DT 26 26 DG 27 27 DG 28 28 DT 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 $DNA_(28-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_(28-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_(28-MER) . mM 1.2 2 'natural abundance' KPi 20 mM . . 'natural abundance' KCl 70 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D20 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_(28-MER) . mM 0.2 1 '[U-2% 15N]' KPi 20 mM . . 'natural abundance' KCl 70 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D20 10 % . . '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_(28-MER) . mM 1.2 2 'natural abundance' KPi 20 mM . . 'natural abundance' KCl 70 mM . . 'natural abundance' D20 100 % . . '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_(28-MER) . mM 0.2 1 '[U-100% 2H]' KPi 20 mM . . 'natural abundance' KCl 70 mM . . 'natural abundance' D20 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_1D_15N-Filtered_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-Filtered' _Sample_label $sample_2 save_ save_1D_D-labeled_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 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' 90 . mM pH 7 . pH 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 TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA (28-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 6.009 0.010 1 2 1 1 DT H2' H 2.347 0.010 1 3 1 1 DT H2'' H 2.682 0.010 1 4 1 1 DT H3' H 4.819 0.010 1 5 1 1 DT H4' H 4.105 0.010 1 6 1 1 DT H5' H 3.720 0.010 2 7 1 1 DT H5'' H 3.720 0.010 2 8 1 1 DT H6 H 7.451 0.010 1 9 1 1 DT H71 H 1.617 0.010 2 10 1 1 DT H72 H 1.617 0.010 2 11 1 1 DT H73 H 1.617 0.010 2 12 2 2 DG H1 H 11.549 0.010 1 13 2 2 DG H1' H 6.143 0.010 1 14 2 2 DG H2' H 2.465 0.010 1 15 2 2 DG H2'' H 2.957 0.010 1 16 2 2 DG H3' H 4.917 0.010 1 17 2 2 DG H4' H 4.502 0.010 1 18 2 2 DG H5' H 4.123 0.010 1 19 2 2 DG H5'' H 4.261 0.010 1 20 2 2 DG H8 H 8.122 0.010 1 21 3 3 DG H1 H 11.206 0.010 1 22 3 3 DG H1' H 6.394 0.010 1 23 3 3 DG H2' H 3.027 0.010 1 24 3 3 DG H2'' H 3.068 0.010 1 25 3 3 DG H3' H 5.137 0.010 1 26 3 3 DG H4' H 4.447 0.010 1 27 3 3 DG H8 H 8.031 0.010 1 28 4 4 DT H1' H 6.463 0.010 1 29 4 4 DT H2' H 2.405 0.010 1 30 4 4 DT H2'' H 2.665 0.010 1 31 4 4 DT H3' H 5.089 0.010 1 32 4 4 DT H4' H 4.540 0.010 1 33 4 4 DT H5' H 4.348 0.010 1 34 4 4 DT H5'' H 4.456 0.010 1 35 4 4 DT H6 H 7.938 0.010 1 36 4 4 DT H71 H 2.000 0.010 2 37 4 4 DT H72 H 2.000 0.010 2 38 4 4 DT H73 H 2.000 0.010 2 39 5 5 DG H1 H 11.574 0.010 1 40 5 5 DG H1' H 6.249 0.010 1 41 5 5 DG H2' H 2.294 0.010 1 42 5 5 DG H2'' H 3.043 0.010 1 43 5 5 DG H3' H 4.924 0.010 1 44 5 5 DG H4' H 4.580 0.010 1 45 5 5 DG H5' H 4.182 0.010 1 46 5 5 DG H5'' H 4.284 0.010 1 47 5 5 DG H8 H 8.434 0.010 1 48 6 6 DG H1 H 11.315 0.010 1 49 6 6 DG H1' H 6.401 0.010 1 50 6 6 DG H2' H 3.072 0.010 2 51 6 6 DG H2'' H 3.072 0.010 2 52 6 6 DG H3' H 5.100 0.010 1 53 6 6 DG H4' H 4.729 0.010 1 54 6 6 DG H8 H 8.073 0.010 1 55 7 7 DT H1' H 6.397 0.010 1 56 7 7 DT H2' H 2.365 0.010 1 57 7 7 DT H2'' H 2.677 0.010 1 58 7 7 DT H3' H 5.091 0.010 1 59 7 7 DT H4' H 4.531 0.010 1 60 7 7 DT H6 H 7.928 0.010 1 61 7 7 DT H71 H 1.989 0.010 2 62 7 7 DT H72 H 1.989 0.010 2 63 7 7 DT H73 H 1.989 0.010 2 64 8 8 DG H1 H 11.473 0.010 1 65 8 8 DG H1' H 6.192 0.010 1 66 8 8 DG H2' H 2.305 0.010 1 67 8 8 DG H2'' H 3.013 0.010 1 68 8 8 DG H3' H 4.898 0.010 1 69 8 8 DG H4' H 4.591 0.010 1 70 8 8 DG H5' H 4.188 0.010 1 71 8 8 DG H5'' H 4.285 0.010 1 72 8 8 DG H8 H 8.327 0.010 1 73 9 9 DG H1 H 11.204 0.010 1 74 9 9 DG H1' H 6.331 0.010 1 75 9 9 DG H2' H 3.059 0.010 1 76 9 9 DG H2'' H 3.129 0.010 1 77 9 9 DG H3' H 5.162 0.010 1 78 9 9 DG H4' H 4.469 0.010 1 79 9 9 DG H8 H 8.076 0.010 1 80 10 10 DT H1' H 6.467 0.010 1 81 10 10 DT H2' H 2.530 0.010 2 82 10 10 DT H2'' H 2.530 0.010 2 83 10 10 DT H3' H 4.968 0.010 1 84 10 10 DT H4' H 4.508 0.010 1 85 10 10 DT H6 H 7.848 0.010 1 86 10 10 DT H71 H 1.986 0.010 2 87 10 10 DT H72 H 1.986 0.010 2 88 10 10 DT H73 H 1.986 0.010 2 89 11 11 DT H1' H 5.931 0.010 1 90 11 11 DT H2' H 2.228 0.010 1 91 11 11 DT H2'' H 2.396 0.010 1 92 11 11 DT H3' H 4.822 0.010 1 93 11 11 DT H4' H 4.243 0.010 1 94 11 11 DT H5' H 4.099 0.010 2 95 11 11 DT H5'' H 4.099 0.010 2 96 11 11 DT H6 H 7.644 0.010 1 97 11 11 DT H71 H 1.613 0.010 2 98 11 11 DT H72 H 1.613 0.010 2 99 11 11 DT H73 H 1.613 0.010 2 100 12 12 DG H1 H 11.375 0.010 1 101 12 12 DG H1' H 6.157 0.010 1 102 12 12 DG H2' H 2.820 0.010 2 103 12 12 DG H2'' H 2.820 0.010 2 104 12 12 DG H3' H 5.216 0.010 1 105 12 12 DG H4' H 4.304 0.010 1 106 12 12 DG H5' H 3.839 0.010 1 107 12 12 DG H5'' H 4.184 0.010 1 108 12 12 DG H8 H 8.046 0.010 1 109 13 13 DT H1' H 6.400 0.010 1 110 13 13 DT H2' H 2.501 0.010 1 111 13 13 DT H2'' H 2.607 0.010 1 112 13 13 DT H3' H 4.863 0.010 1 113 13 13 DT H4' H 4.535 0.010 1 114 13 13 DT H6 H 7.850 0.010 1 115 13 13 DT H71 H 1.934 0.010 2 116 13 13 DT H72 H 1.934 0.010 2 117 13 13 DT H73 H 1.934 0.010 2 118 14 14 DT H1' H 6.197 0.010 1 119 14 14 DT H2' H 2.195 0.010 1 120 14 14 DT H2'' H 2.692 0.010 1 121 14 14 DT H3' H 4.795 0.010 1 122 14 14 DT H4' H 4.308 0.010 1 123 14 14 DT H6 H 7.605 0.010 1 124 14 14 DT H71 H 1.823 0.010 2 125 14 14 DT H72 H 1.823 0.010 2 126 14 14 DT H73 H 1.823 0.010 2 127 15 15 DG H1 H 11.197 0.010 1 128 15 15 DG H1' H 6.295 0.010 1 129 15 15 DG H2' H 3.124 0.010 1 130 15 15 DG H2'' H 2.841 0.010 1 131 15 15 DG H3' H 5.120 0.010 1 132 15 15 DG H4' H 4.685 0.010 1 133 15 15 DG H5' H 4.123 0.010 1 134 15 15 DG H5'' H 4.231 0.010 1 135 15 15 DG H8 H 7.905 0.010 1 136 16 16 DT H1' H 6.336 0.010 1 137 16 16 DT H2' H 2.567 0.010 1 138 16 16 DT H2'' H 2.656 0.010 1 139 16 16 DT H3' H 4.901 0.010 1 140 16 16 DT H4' H 4.407 0.010 1 141 16 16 DT H5' H 4.266 0.010 2 142 16 16 DT H5'' H 4.266 0.010 2 143 16 16 DT H6 H 7.590 0.010 1 144 16 16 DT H71 H 1.937 0.010 2 145 16 16 DT H72 H 1.937 0.010 2 146 16 16 DT H73 H 1.937 0.010 2 147 17 17 DG H1 H 11.276 0.010 1 148 17 17 DG H1' H 6.187 0.010 1 149 17 17 DG H2' H 2.555 0.010 1 150 17 17 DG H2'' H 2.935 0.010 1 151 17 17 DG H3' H 5.001 0.010 1 152 17 17 DG H4' H 4.686 0.010 1 153 17 17 DG H5' H 4.236 0.010 1 154 17 17 DG H5'' H 4.314 0.010 1 155 17 17 DG H8 H 7.542 0.010 1 156 18 18 DG H1 H 11.328 0.010 1 157 18 18 DG H1' H 6.437 0.010 1 158 18 18 DG H2' H 2.539 0.010 1 159 18 18 DG H2'' H 2.627 0.010 1 160 18 18 DG H3' H 5.026 0.010 1 161 18 18 DG H8 H 7.890 0.010 1 162 19 19 DT H1' H 6.538 0.010 1 163 19 19 DT H2' H 2.667 0.010 2 164 19 19 DT H2'' H 2.667 0.010 2 165 19 19 DT H3' H 4.881 0.010 1 166 19 19 DT H4' H 4.644 0.010 1 167 19 19 DT H5' H 4.201 0.010 1 168 19 19 DT H5'' H 4.405 0.010 1 169 19 19 DT H6 H 7.867 0.010 1 170 19 19 DT H71 H 2.005 0.010 2 171 19 19 DT H72 H 2.005 0.010 2 172 19 19 DT H73 H 2.005 0.010 2 173 20 20 DG H1 H 11.194 0.010 1 174 20 20 DG H1' H 6.130 0.010 1 175 20 20 DG H2' H 2.375 0.010 1 176 20 20 DG H2'' H 2.950 0.010 1 177 20 20 DG H3' H 4.720 0.010 1 178 20 20 DG H4' H 4.625 0.010 1 179 20 20 DG H8 H 7.742 0.010 1 180 21 21 DG H1 H 11.317 0.010 1 181 21 21 DG H1' H 6.430 0.010 1 182 21 21 DG H2' H 2.515 0.010 1 183 21 21 DG H2'' H 2.632 0.010 1 184 21 21 DG H3' H 5.051 0.010 1 185 21 21 DG H4' H 4.636 0.010 1 186 21 21 DG H8 H 7.901 0.010 1 187 22 22 DT H1' H 6.569 0.010 1 188 22 22 DT H2' H 2.673 0.010 2 189 22 22 DT H2'' H 2.673 0.010 2 190 22 22 DT H3' H 4.815 0.010 1 191 22 22 DT H4' H 4.646 0.010 1 192 22 22 DT H5' H 4.150 0.010 1 193 22 22 DT H5'' H 4.445 0.010 1 194 22 22 DT H6 H 7.832 0.010 1 195 22 22 DT H71 H 2.013 0.010 2 196 22 22 DT H72 H 2.013 0.010 2 197 22 22 DT H73 H 2.013 0.010 2 198 23 23 DG H1 H 11.430 0.010 1 199 23 23 DG H1' H 6.125 0.010 1 200 23 23 DG H2' H 2.338 0.010 1 201 23 23 DG H2'' H 2.983 0.010 1 202 23 23 DG H3' H 5.128 0.010 1 203 23 23 DG H4' H 4.732 0.010 1 204 23 23 DG H8 H 7.794 0.010 1 205 24 24 DG H1 H 11.192 0.010 1 206 24 24 DG H1' H 6.453 0.010 1 207 24 24 DG H2' H 2.517 0.010 1 208 24 24 DG H2'' H 2.652 0.010 1 209 24 24 DG H3' H 5.073 0.010 1 210 24 24 DG H4' H 4.625 0.010 1 211 24 24 DG H8 H 7.913 0.010 1 212 25 25 DT H1' H 6.603 0.010 1 213 25 25 DT H2' H 2.716 0.010 1 214 25 25 DT H2'' H 2.942 0.010 1 215 25 25 DT H3' H 4.681 0.010 1 216 25 25 DT H4' H 4.529 0.010 1 217 25 25 DT H5' H 4.057 0.010 2 218 25 25 DT H5'' H 4.057 0.010 2 219 25 25 DT H6 H 7.776 0.010 1 220 25 25 DT H71 H 2.010 0.010 2 221 25 25 DT H72 H 2.010 0.010 2 222 25 25 DT H73 H 2.010 0.010 2 223 26 26 DG H1 H 11.134 0.010 1 224 26 26 DG H1' H 6.107 0.010 1 225 26 26 DG H2' H 2.489 0.010 1 226 26 26 DG H2'' H 2.772 0.010 1 227 26 26 DG H3' H 4.988 0.010 1 228 26 26 DG H4' H 4.577 0.010 1 229 26 26 DG H8 H 7.652 0.010 1 230 27 27 DG H1 H 11.211 0.010 1 231 27 27 DG H1' H 6.296 0.010 1 232 27 27 DG H2' H 2.548 0.010 1 233 27 27 DG H2'' H 2.764 0.010 1 234 27 27 DG H3' H 4.943 0.010 1 235 27 27 DG H4' H 4.509 0.010 1 236 27 27 DG H5' H 4.285 0.010 2 237 27 27 DG H5'' H 4.285 0.010 2 238 27 27 DG H8 H 7.839 0.010 1 239 28 28 DT H1' H 6.093 0.010 1 240 28 28 DT H2' H 2.151 0.010 1 241 28 28 DT H2'' H 2.223 0.010 1 242 28 28 DT H3' H 4.525 0.010 1 243 28 28 DT H4' H 4.117 0.010 1 244 28 28 DT H6 H 7.379 0.010 1 245 28 28 DT H71 H 1.638 0.010 2 246 28 28 DT H72 H 1.638 0.010 2 247 28 28 DT H73 H 1.638 0.010 2 stop_ save_