data_5007 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE VS RIBOZYME SUBSTRATE STEM-LOOP ; _BMRB_accession_number 5007 _BMRB_flat_file_name bmr5007.str _Entry_type original _Submission_date 2001-05-07 _Accession_date 2001-05-07 _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 Flinders J. C. . 2 Dieckmann T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 107 "15N chemical shifts" 16 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-06-07 original author 'Original release' 2003-07-01 update BMRB 'Links to related BMRB entries inserted' stop_ loop_ _Related_BMRB_accession_number _Relationship 5852 'A mimic of the VS Ribozyme Hairpin Substrate' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A pH Controlled Conformational Switch In the Cleavage Site of the VS Ribozyme Substrate RNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11350168 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Flinders J. C. . 2 Dieckmann T. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 308 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 665 _Page_last 679 _Year 2001 _Details . loop_ _Keyword 'A+C BASE PAIR' 'PROTONATED ADENINE' STEM-LOOP 'TANDEM GA' 'VS RIBOZYME' stop_ save_ ################################## # Molecular system description # ################################## save_system_VS_Loop_I _Saveframe_category molecular_system _Mol_system_name 'VS RIBOZYME SUBSTRATE STEM-LOOP' _Abbreviation_common 'VS Loop I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VS RIBOZYME SUBSTRATE RNA' $VS_RNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'catalytic RNA molecule' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VS_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'VS Ribozyme' _Abbreviation_common 'VS RNA' _Molecular_mass 9900 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; GGUGCGAAGGGCGUCGUCGC CCCGAGCGCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 615 G 2 616 G 3 617 U 4 618 G 5 619 C 6 620 G 7 621 A 8 622 A 9 623 G 10 624 G 11 625 G 12 626 C 13 627 G 14 628 U 15 629 C 16 630 G 17 631 U 18 632 C 19 633 G 20 634 C 21 635 C 22 636 C 23 637 C 24 638 G 25 639 A 26 640 G 27 641 C 28 642 G 29 643 C 30 644 C 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 _Plasmid $VS_RNA 'Neurospora crassa' 5141 Eukaryota Fungi Neurospora crassa 'Varkud Satellite' 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 $VS_RNA 'enzymatic semisynthesis' . . . . . 'The molecule was synthesized using T7 RNA polymerase and a synthetic DNA template.' 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 $VS_RNA 1.5 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VS_RNA 1.0 mM '[U-98% 13C; U-98% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VS_RNA 1.0 mM '[98%-13C; 98%-15N]-Ade' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task 'collection, processing' stop_ _Details Bruker save_ save_XEasy _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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 . save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_2D_1H-13C_CT-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label . save_ save_2D_1H-15N_HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _Sample_label . save_ save_2D_1H-1H_DQF-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _Sample_label . save_ save_3D_13C-1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details 'Sample was in 90% H2O/10% D2O with no added salt or buffer.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 6.0 0.3 n/a pressure 1 . atm temperature 274 0.2 K stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details 'Sample was in 100% D2O with no added salt or buffer.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH* 6.0 0.3 n/a pressure 1 . atm temperature 293 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_ref_1 _Mol_system_component_name 'VS RIBOZYME SUBSTRATE RNA' _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 G H8 H 8.12 0.01 1 2 . 1 G C8 C 136.3 0.1 1 3 . 1 G N1 N 151.3 0.1 1 4 . 1 G H1' H 5.80 0.01 1 5 . 1 G H2' H 4.92 0.01 1 6 . 1 G H3' H 4.67 0.01 1 7 . 1 G H4' H 4.36 0.01 1 8 . 1 G C1' C 89.1 0.1 1 9 . 1 G C2' C 72.3 0.1 1 10 . 1 G C3' C 72.2 0.1 1 11 . 2 G H1 H 13.55 0.01 1 12 . 2 G H8 H 7.52 0.01 1 13 . 2 G C8 C 134.3 0.1 1 14 . 2 G N1 N 152.1 0.1 1 15 . 2 G H1' H 5.92 0.01 1 16 . 2 G H2' H 4.66 0.01 1 17 . 2 G H3' H 4.40 0.01 1 18 . 2 G C1' C 90.9 0.1 1 19 . 2 G C2' C 72.8 0.1 1 20 . 2 G C3' C 70.3 0.1 1 21 . 3 U H3 H 11.73 0.01 1 22 . 3 U H5 H 5.44 0.01 1 23 . 3 U H6 H 7.60 0.01 1 24 . 3 U N3 N 163.0 0.1 1 25 . 3 U H1' H 5.52 0.01 1 26 . 3 U H2' H 4.51 0.01 1 27 . 3 U C1' C 91.3 0.1 1 28 . 3 U C2' C 73.2 0.1 1 29 . 4 G H1 H 12.88 0.01 1 30 . 4 G H8 H 7.84 0.01 1 31 . 4 G C8 C 134.8 0.1 1 32 . 4 G N1 N 151.5 0.1 1 33 . 4 G H1' H 5.73 0.01 1 34 . 4 G H2' H 4.46 0.01 1 35 . 4 G C1' C 90.6 0.1 1 36 . 5 C H41 H 8.14 0.01 2 37 . 5 C H42 H 6.64 0.01 2 38 . 5 C H5 H 4.94 0.01 1 39 . 5 C H6 H 7.18 0.01 1 40 . 5 C C6 C 137.8 0.1 1 41 . 5 C H1' H 5.34 0.01 1 42 . 5 C H2' H 4.42 0.01 1 43 . 5 C H3' H 4.15 0.01 1 44 . 5 C C1' C 92.1 0.1 1 45 . 5 C C2' C 72.5 0.1 1 46 . 5 C C3' C 69.9 0.1 1 47 . 6 G H1 H 9.82 0.01 1 48 . 6 G H8 H 7.93 0.01 1 49 . 6 G C8 C 135.2 0.1 1 50 . 6 G N1 N 148.2 0.1 1 51 . 6 G H1' H 5.61 0.01 1 52 . 6 G H2' H 4.57 0.01 1 53 . 6 G H3' H 4.43 0.01 1 54 . 6 G H4' H 4.14 0.01 1 55 . 6 G H5' H 4.02 0.01 2 56 . 6 G H5'' H 4.48 0.01 2 57 . 6 G C1' C 89.0 0.1 1 58 . 6 G C2' C 73.6 0.1 1 59 . 6 G C3' C 72.5 0.1 1 60 . 7 A H2 H 7.92 0.01 1 61 . 7 A H8 H 7.96 0.01 1 62 . 7 A C8 C 137.7 0.1 1 63 . 7 A H1' H 5.31 0.01 1 64 . 7 A H2' H 4.76 0.01 1 65 . 7 A H3' H 4.36 0.01 1 66 . 7 A H4' H 4.27 0.01 1 67 . 7 A H5' H 4.04 0.01 2 68 . 7 A C1' C 90.7 0.1 1 69 . 7 A C2' C 72.7 0.1 1 70 . 7 A C4' C 79.6 0.1 1 71 . 7 A C5' C 61.4 0.1 1 72 . 8 A H2 H 8.09 0.01 1 73 . 8 A H8 H 7.94 0.01 1 74 . 8 A C8 C 138.5 0.1 1 75 . 8 A H1' H 5.18 0.01 1 76 . 8 A H2' H 4.54 0.01 1 77 . 8 A H3' H 4.42 0.01 1 78 . 8 A H4' H 3.92 0.01 1 79 . 8 A C1' C 84.4 0.1 1 80 . 8 A C2' C 73.3 0.1 1 81 . 8 A C3' C 69.7 0.1 1 82 . 8 A C4' C 82.0 0.1 1 83 . 9 G H1 H 12.51 0.01 1 84 . 9 G H8 H 6.80 0.01 1 85 . 9 G C8 C 133.2 0.1 1 86 . 9 G N1 N 151.5 0.1 1 87 . 9 G H1' H 5.37 0.01 1 88 . 9 G H2' H 4.46 0.01 1 89 . 9 G H3' H 4.27 0.01 1 90 . 9 G H4' H 4.37 0.01 1 91 . 9 G H5' H 3.95 0.01 2 92 . 9 G C1' C 90.6 0.1 1 93 . 9 G C2' C 72.7 0.1 1 94 . 9 G C3' C 70.3 0.1 1 95 . 9 G C4' C 76.0 0.1 1 96 . 9 G C5' C 63.0 0.1 1 97 . 10 G H1 H 12.67 0.01 1 98 . 10 G H8 H 7.11 0.01 1 99 . 10 G C8 C 133.6 0.1 1 100 . 10 G N1 N 151.5 0.1 1 101 . 10 G H1' H 5.75 0.01 1 102 . 10 G H2' H 4.57 0.01 1 103 . 10 G H3' H 3.98 0.01 1 104 . 10 G H4' H 4.35 0.01 1 105 . 10 G H5' H 3.99 0.01 2 106 . 10 G C1' C 90.5 0.1 1 107 . 10 G C2' C 72.0 0.1 1 108 . 10 G C3' C 69.7 0.1 1 109 . 10 G C4' C 78.9 0.1 1 110 . 11 G H1 H 13.17 0.01 1 111 . 11 G H8 H 7.19 0.01 1 112 . 11 G C8 C 133.6 0.1 1 113 . 11 G N1 N 151.5 0.1 1 114 . 11 G H1' H 5.74 0.01 1 115 . 11 G H2' H 4.46 0.01 1 116 . 11 G H3' H 4.42 0.01 1 117 . 11 G C1' C 90.5 0.1 1 118 . 11 G C2' C 72.7 0.1 1 119 . 11 G C3' C 69.7 0.1 1 120 . 12 C H41 H 8.53 0.01 2 121 . 12 C H42 H 6.87 0.01 2 122 . 12 C H5 H 5.14 0.01 1 123 . 12 C H6 H 7.50 0.01 1 124 . 12 C C6 C 138.0 0.1 1 125 . 12 C H1' H 5.48 0.01 1 126 . 12 C H2' H 4.35 0.01 1 127 . 12 C C1' C 91.6 0.1 1 128 . 12 C C2' C 72.7 0.1 1 129 . 13 G H1 H 10.37 0.01 1 130 . 13 G H8 H 7.52 0.01 1 131 . 13 G C8 C 134.2 0.1 1 132 . 13 G N1 N 151.5 0.1 1 133 . 13 G H1' H 5.67 0.01 1 134 . 13 G H2' H 4.55 0.01 1 135 . 13 G H3' H 4.42 0.01 1 136 . 13 G C1' C 90.0 0.1 1 137 . 13 G C2' C 72.5 0.1 1 138 . 14 U H3 H 11.18 0.01 1 139 . 14 U H5 H 5.64 0.01 1 140 . 14 U H6 H 7.70 0.01 1 141 . 14 U C6 C 141.3 0.1 1 142 . 14 U N3 N 162.0 0.1 1 143 . 14 U H1' H 5.69 0.01 1 144 . 14 U H2' H 4.38 0.01 1 145 . 14 U C1' C 88.9 0.1 1 146 . 14 U C2' C 72.9 0.1 1 147 . 15 C H5 H 5.95 0.01 1 148 . 15 C H6 H 7.81 0.01 1 149 . 15 C C6 C 139.9 0.1 1 150 . 15 C H1' H 5.46 0.01 1 151 . 15 C H2' H 4.47 0.01 1 152 . 15 C H3' H 4.16 0.01 1 153 . 15 C C1' C 87.4 0.1 1 154 . 15 C C2' C 72.5 0.1 1 155 . 16 G H8 H 7.75 0.01 1 156 . 16 G C8 C 134.3 0.1 1 157 . 16 G N1 N 149.6 0.1 1 158 . 16 G H1' H 5.73 0.01 1 159 . 16 G H2' H 4.14 0.01 1 160 . 16 G C1' C 90.5 0.1 1 161 . 16 G C2' C 72.7 0.1 1 162 . 17 U H3 H 11.18 0.01 1 163 . 17 U H5 H 5.86 0.01 1 164 . 17 U H6 H 7.86 0.01 1 165 . 17 U C6 C 141.7 0.1 1 166 . 17 U N3 N 162.0 0.1 1 167 . 17 U H1' H 5.99 0.01 1 168 . 17 U H2' H 4.43 0.01 1 169 . 17 U H3' H 4.61 0.01 1 170 . 17 U H4' H 4.53 0.01 1 171 . 17 U H5' H 4.10 0.01 2 172 . 17 U H5'' H 4.22 0.01 2 173 . 17 U C1' C 88.0 0.1 1 174 . 17 U C2' C 72.7 0.1 1 175 . 17 U C3' C 74.3 0.1 1 176 . 17 U C4' C 82.7 0.1 1 177 . 17 U C5' C 65.0 0.1 1 178 . 18 C H5 H 5.91 0.01 1 179 . 18 C H6 H 7.66 0.01 1 180 . 18 C H1' H 5.71 0.01 1 181 . 18 C H2' H 4.13 0.01 1 182 . 18 C H3' H 4.41 0.01 1 183 . 18 C H4' H 3.92 0.01 2 184 . 18 C H5' H 3.85 0.01 2 185 . 18 C C1' C 88.9 0.1 1 186 . 18 C C2' C 73.5 0.1 1 187 . 18 C C3' C 75.0 0.1 1 188 . 18 C C4' C 81.9 0.1 1 189 . 18 C C5' C 64.3 0.1 1 190 . 19 G H1 H 13.01 0.01 1 191 . 19 G H8 H 7.71 0.01 1 192 . 19 G C8 C 137.4 0.1 1 193 . 19 G N1 N 152.0 0.1 1 194 . 19 G H1' H 5.61 0.01 1 195 . 19 G H2' H 4.62 0.01 1 196 . 19 G H3' H 4.43 0.01 1 197 . 19 G C1' C 88.9 0.1 1 198 . 19 G C2' C 74.7 0.1 1 199 . 19 G C3' C 81.0 0.1 1 200 . 20 C H41 H 8.70 0.01 2 201 . 20 C H42 H 6.91 0.01 2 202 . 20 C H5 H 5.46 0.01 1 203 . 20 C H6 H 7.64 0.01 1 204 . 20 C H1' H 5.73 0.01 1 205 . 20 C H2' H 3.99 0.01 1 206 . 20 C H3' H 4.17 0.01 1 207 . 20 C H4' H 4.42 0.01 1 208 . 20 C C1' C 90.5 0.1 1 209 . 20 C C2' C 72.4 0.1 1 210 . 21 C H41 H 8.49 0.01 2 211 . 21 C H42 H 5.53 0.01 2 212 . 21 C H5 H 5.46 0.01 1 213 . 21 C H6 H 7.73 0.01 1 214 . 21 C C6 C 138.8 0.1 1 215 . 21 C H1' H 5.49 0.01 1 216 . 21 C H2' H 4.38 0.01 1 217 . 21 C C1' C 95.6 0.1 1 218 . 22 C H41 H 8.20 0.01 2 219 . 22 C H42 H 6.91 0.01 2 220 . 22 C H5 H 5.38 0.01 1 221 . 22 C H6 H 7.60 0.01 1 222 . 22 C H1' H 5.34 0.01 1 223 . 22 C H2' H 4.52 0.01 1 224 . 22 C H3' H 4.36 0.01 1 225 . 22 C C1' C 91.6 0.1 1 226 . 22 C C2' C 72.4 0.1 1 227 . 23 C H5 H 5.62 0.01 1 228 . 23 C H6 H 7.63 0.01 1 229 . 23 C H1' H 5.45 0.01 1 230 . 23 C H2' H 3.90 0.01 1 231 . 23 C H3' H 4.34 0.01 1 232 . 23 C C1' C 92.5 0.1 1 233 . 23 C C2' C 72.7 0.1 1 234 . 24 G H1 H 10.01 0.01 1 235 . 24 G H8 H 8.12 0.01 1 236 . 24 G C8 C 136.6 0.1 1 237 . 24 G N1 N 148.8 0.1 1 238 . 24 G H1' H 5.49 0.01 1 239 . 24 G H2' H 4.35 0.01 1 240 . 24 G H3' H 4.36 0.01 1 241 . 24 G C1' C 86.9 0.1 1 242 . 24 G C2' C 72.9 0.1 1 243 . 24 G C3' C 70.2 0.1 1 244 . 25 A H2 H 7.97 0.01 1 245 . 25 A H8 H 7.51 0.01 1 246 . 25 A C8 C 137.3 0.1 1 247 . 25 A H1' H 5.50 0.01 1 248 . 25 A H2' H 4.76 0.01 1 249 . 25 A H3' H 4.36 0.01 1 250 . 25 A H4' H 4.27 0.01 1 251 . 25 A C1' C 90.5 0.1 1 252 . 25 A C2' C 72.9 0.1 1 253 . 25 A C3' C 70.2 0.1 1 254 . 25 A C4' C 79.6 0.1 1 255 . 26 G H1 H 13.17 0.01 1 256 . 26 G H8 H 7.41 0.01 1 257 . 26 G C8 C 133.3 0.1 1 258 . 26 G N1 N 152.0 0.1 1 259 . 26 G H1' H 4.13 0.01 1 260 . 26 G H2' H 4.18 0.01 1 261 . 26 G H3' H 4.26 0.01 1 262 . 26 G C1' C 89.7 0.1 1 263 . 26 G C2' C 72.2 0.1 1 264 . 26 G C3' C 70.0 0.1 1 265 . 27 C H41 H 8.54 0.01 2 266 . 27 C H42 H 5.23 0.01 2 267 . 27 C H5 H 5.17 0.01 1 268 . 27 C H6 H 7.39 0.01 1 269 . 27 C C6 C 138.5 0.01 1 270 . 27 C H1' H 5.48 0.01 1 271 . 27 C H2' H 4.34 0.01 1 272 . 27 C H3' H 4.25 0.01 1 273 . 27 C C1' C 91.1 0.1 1 274 . 27 C C2' C 73.2 0.1 1 275 . 28 G H1 H 11.08 0.01 1 276 . 28 G H22 H 6.30 0.01 2 277 . 28 G H8 H 7.55 0.01 1 278 . 28 G C8 C 134.9 0.1 1 279 . 28 G N1 N 148.3 0.1 1 280 . 28 G H1' H 5.70 0.01 1 281 . 28 G H2' H 4.66 0.01 1 282 . 28 G H3' H 4.26 0.01 1 283 . 28 G H4' H 4.44 0.01 1 284 . 28 G C1' C 91.3 0.1 1 285 . 28 G C2' C 72.2 0.1 1 286 . 28 G C3' C 70.3 0.1 1 287 . 29 C H41 H 8.47 0.01 2 288 . 29 C H42 H 7.09 0.01 2 289 . 29 C H5 H 5.27 0.01 1 290 . 29 C H6 H 7.65 0.01 1 291 . 29 C H1' H 5.47 0.01 1 292 . 29 C H2' H 4.45 0.01 1 293 . 29 C C1' C 91.3 0.1 1 294 . 30 C H5 H 5.25 0.01 1 295 . 30 C H6 H 7.72 0.01 1 296 . 30 C C6 C 140.4 0.1 1 297 . 30 C H1' H 5.52 0.01 1 298 . 30 C H2' H 4.41 0.01 1 299 . 30 C C1' C 91.3 0.1 1 300 . 30 C C2' C 72.7 0.1 1 stop_ save_