data_5962 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shifts assignments of domain 5 of the ai5gamma group II intron ; _BMRB_accession_number 5962 _BMRB_flat_file_name bmr5962.str _Entry_type original _Submission_date 2003-10-01 _Accession_date 2003-10-01 _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 Sigel Roland 'K. O.' . 2 Sashital Dipali G. . 3 Abramowitz Dana L. . 4 Palmer Arthur G. III 5 Butcher Samuel E. . 6 Pyle 'Anna Marie' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 272 "13C chemical shifts" 97 "15N chemical shifts" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-03-07 original author . stop_ _Original_release_date 2004-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of domain 5 of a group II intron ribozyme reveals a new RNA motif ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14745440 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sigel Roland 'K. O.' . 2 Sashital Dipali G. . 3 Abramowitz Dana L. . 4 Palmer Arthur G. III 5 Butcher Samuel E. . 6 Pyle 'Anna Marie' . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 192 _Year 2004 _Details . loop_ _Keyword bulge hairpin magnesium 'metal ion' RNA stop_ save_ ################################## # Molecular system description # ################################## save_D5_of_ai5g _Saveframe_category molecular_system _Mol_system_name 'wildtype domain 5 of the ai5gamma group II intron' _Abbreviation_common 'D5 of ai5g' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'wildtype domain 5 hairpin' $D5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'catalytic domain of a self-splicing group II intron ribozyme' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_D5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'Domain 5' _Abbreviation_common D5 _Molecular_mass 12297 _Mol_thiol_state 'not present' _Details ; catalytic domain of the ai5g group II intron ribozyme, wildtype sequence contains catalytic AGC triad, as well as bulge with essential base & backbone functionalities, additional GC bp at helix end ; ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GGAGCCGUAUGCGAUGAAAG UCGCACGUACGGUUCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 C 6 C 7 G 8 U 9 A 10 U 11 G 12 C 13 G 14 A 15 U 16 G 17 A 18 A 19 A 20 G 21 U 22 C 23 G 24 C 25 A 26 C 27 G 28 U 29 A 30 C 31 G 32 G 33 U 34 U 35 C 36 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 _Organelle _Gene_mnemonic _Details $D5 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae mitochondria cox1 'ai5gamma group II intron' 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 $D5 'cell free synthesis' . . . . . 'in vitro transcription from double stranded DNA template by T7 RNA polymerase' 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 $D5 . mM 0.4 0.7 '[U-13C; U-15N]' KCl 100 mM . . . Edta 10 micM . . . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task processing stop_ _Details BRUKER save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3 loop_ _Task 'data analysis' stop_ _Details ; ref-33, Goddard, T.G. & Kneller, D.G. SPARKY 3, University of California, San Francisco ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H,1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,1H NOESY' _Sample_label $sample_1 save_ save_3D-13C_separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D-13C separated NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C-1H_HCCH_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C-1H_HCCH_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH COSY' _Sample_label $sample_1 save_ save_2D_2JHN_HNN-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 2JHN HNN-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.11 . mM pH 6.7 0.1 n/a pressure 1 . atm temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 methyl ppm 0.00 internal indirect cylindrical internal parallel 0.251449530 $entry_citation $entry_citation TSP H 1 methyl ppm 0.00 internal indirect cylindrical internal parallel 1.0 $entry_citation $entry_citation TSP N 15 methyl ppm 0.00 internal indirect cylindrical internal parallel 0.101329118 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'wildtype domain 5 hairpin' _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 H1' H 5.81 0.005 1 2 . 1 G H2' H 4.928 0.005 1 3 . 1 G H3' H 4.542 0.005 1 4 . 1 G H4' H 4.536 0.005 1 5 . 1 G H8 H 8.186 0.005 1 6 . 1 G N1 N 146.7 0.05 1 7 . 1 G C8 C 139.1 0.05 1 8 . 1 G C1' C 89.41 0.05 1 9 . 1 G C2' C 77.45 0.05 1 10 . 1 G C3' C 75.9 0.05 1 11 . 1 G C4' C 85.49 0.05 1 12 . 1 G C5' C 67.87 0.05 1 13 . 2 G H1' H 5.896 0.005 1 14 . 2 G H2' H 4.644 0.005 1 15 . 2 G H3' H 4.667 0.005 1 16 . 2 G H4' H 4.55 0.005 1 17 . 2 G H5'' H 4.231 0.005 1 18 . 2 G H1 H 12.5 0.005 1 19 . 2 G H8 H 7.564 0.005 1 20 . 2 G H21 H 7.933 0.005 1 21 . 2 G H22 H 5.827 0.005 1 22 . 2 G N1 N 146.5 0.05 1 23 . 2 G C8 C 137 0.05 1 24 . 3 A H1' H 6.033 0.005 1 25 . 3 A H2' H 4.628 0.005 1 26 . 3 A H3' H 4.66 0.005 1 27 . 3 A H4' H 4.526 0.005 1 28 . 3 A H5' H 4.509 0.005 1 29 . 3 A H2 H 7.362 0.005 1 30 . 3 A H8 H 7.858 0.005 1 31 . 3 A H61 H 7.924 0.005 1 32 . 3 A H62 H 6.604 0.005 1 33 . 3 A N1 N 221.5 0.05 1 34 . 3 A N3 N 213.2 0.05 1 35 . 3 A C2 C 153 0.05 1 36 . 3 A C8 C 137.8 0.05 1 37 . 3 A C2' C 76.12 0.05 1 38 . 3 A C3' C 73.3 0.05 1 39 . 3 A C4' C 82.39 0.05 1 40 . 3 A C5' C 65.8 0.05 1 41 . 4 G H1' H 5.655 0.005 1 42 . 4 G H2' H 4.565 0.005 1 43 . 4 G H3' H 4.206 0.005 1 44 . 4 G H4' H 4.474 0.005 1 45 . 4 G H5' H 4.367 0.005 1 46 . 4 G H5'' H 4.012 0.005 1 47 . 4 G H1 H 11.72 0.005 1 48 . 4 G H8 H 7.038 0.005 1 49 . 4 G N1 N 145.1 0.05 1 50 . 4 G C8 C 136.3 0.05 1 51 . 5 C H1' H 5.515 0.005 1 52 . 5 C H2' H 4.313 0.005 1 53 . 5 C H3' H 4.45 0.005 1 54 . 5 C H5 H 5.263 0.005 1 55 . 5 C H6 H 7.664 0.005 1 56 . 5 C H41 H 8.431 0.005 1 57 . 5 C H42 H 7.039 0.005 1 58 . 5 C N3 N 197.4 0.05 1 59 . 5 C C5 C 97.12 0.05 1 60 . 5 C C6 C 141.6 0.05 1 61 . 6 C H1' H 5.509 0.005 1 62 . 6 C H2' H 4.6 0.005 1 63 . 6 C H3' H 4.411 0.005 1 64 . 6 C H5 H 5.48 0.005 1 65 . 6 C H6 H 7.687 0.005 1 66 . 6 C H41 H 8.37 0.005 1 67 . 6 C H42 H 6.833 0.005 1 68 . 6 C N3 N 196.1 0.05 1 69 . 6 C C5 C 97.76 0.05 1 70 . 6 C C6 C 140.9 0.05 1 71 . 7 G H1' H 5.694 0.005 1 72 . 7 G H2' H 4.477 0.005 1 73 . 7 G H3' H 4.503 0.005 1 74 . 7 G H5'' H 4.087 0.005 1 75 . 7 G H1 H 12.81 0.005 1 76 . 7 G H8 H 7.536 0.005 1 77 . 7 G H22 H 5.946 0.005 1 78 . 7 G N1 N 147 0.05 1 79 . 7 G C8 C 136.2 0.05 1 80 . 8 U H1' H 5.533 0.005 1 81 . 8 U H2' H 4.545 0.005 1 82 . 8 U H3' H 4.576 0.005 1 83 . 8 U H4' H 4.431 0.005 1 84 . 8 U H5'' H 4.079 0.005 1 85 . 8 U H3 H 13.55 0.005 1 86 . 8 U H5 H 5.103 0.005 1 87 . 8 U H6 H 7.726 0.005 1 88 . 8 U N3 N 159.7 0.05 1 89 . 8 U C5 C 102.8 0.05 1 90 . 8 U C6 C 141.5 0.05 1 91 . 9 A H1' H 6.01 0.005 1 92 . 9 A H2' H 4.509 0.005 1 93 . 9 A H3' H 4.568 0.005 1 94 . 9 A H4' H 4.524 0.005 1 95 . 9 A H5' H 4.446 0.005 1 96 . 9 A H5'' H 4.155 0.005 1 97 . 9 A H2 H 7.274 0.005 1 98 . 9 A H8 H 8.046 0.005 1 99 . 9 A H62 H 6.484 0.005 1 100 . 9 A N1 N 223 0.05 1 101 . 9 A N3 N 213.7 0.05 1 102 . 9 A C2 C 153.8 0.05 1 103 . 9 A C8 C 139.8 0.05 1 104 . 9 A C1' C 92.71 0.05 1 105 . 9 A C2' C 75.83 0.05 1 106 . 9 A C3' C 73.17 0.05 1 107 . 9 A C4' C 82.55 0.05 1 108 . 9 A C5' C 65.61 0.05 1 109 . 10 U H1' H 5.52 0.005 1 110 . 10 U H2' H 4.247 0.005 1 111 . 10 U H3' H 4.577 0.005 1 112 . 10 U H5'' H 4.091 0.005 1 113 . 10 U H5 H 5.386 0.005 1 114 . 10 U H6 H 7.519 0.005 1 115 . 10 U C5 C 104.1 0.05 1 116 . 10 U C6 C 141.3 0.05 1 117 . 11 G H1' H 5.71 0.005 1 118 . 11 G H2' H 4.6 0.005 1 119 . 11 G H3' H 4.454 0.005 1 120 . 11 G H1 H 12.52 0.005 1 121 . 11 G H8 H 7.848 0.005 1 122 . 11 G N1 N 147.5 0.05 1 123 . 11 G C8 C 139 0.05 1 124 . 12 C H1' H 5.479 0.005 1 125 . 12 C H2' H 4.561 0.005 1 126 . 12 C H3' H 4.472 0.005 1 127 . 12 C H5' H 4.415 0.005 1 128 . 12 C H5'' H 4.106 0.005 1 129 . 12 C H5 H 5.182 0.005 1 130 . 12 C H6 H 7.627 0.005 1 131 . 12 C H41 H 8.336 0.005 1 132 . 12 C H42 H 6.669 0.005 1 133 . 12 C N3 N 196.6 0.05 1 134 . 12 C C5 C 97.19 0.05 1 135 . 12 C C6 C 140.9 0.05 1 136 . 13 G H1' H 5.665 0.005 1 137 . 13 G H2' H 4.59 0.005 1 138 . 13 G H3' H 4.105 0.005 1 139 . 13 G H5' H 4.408 0.005 1 140 . 13 G H5'' H 4.134 0.005 1 141 . 13 G H1 H 12 0.005 1 142 . 13 G H8 H 7.469 0.005 1 143 . 13 G H21 H 7.591 0.005 1 144 . 13 G H22 H 5.75 0.005 1 145 . 13 G N1 N 145.9 0.05 1 146 . 13 G C8 C 136.2 0.05 1 147 . 14 A H1' H 5.918 0.005 1 148 . 14 A H2' H 4.493 0.005 1 149 . 14 A H3' H 4.511 0.005 1 150 . 14 A H4' H 4.474 0.005 1 151 . 14 A H5' H 4.444 0.005 1 152 . 14 A H5'' H 4.105 0.005 1 153 . 14 A H2 H 7.755 0.005 1 154 . 14 A H8 H 7.674 0.005 1 155 . 14 A H61 H 8.047 0.005 1 156 . 14 A H62 H 6.648 0.005 1 157 . 14 A N1 N 221.7 0.05 1 158 . 14 A N3 N 212.9 0.05 1 159 . 14 A C2 C 153.9 0.05 1 160 . 14 A C8 C 139.1 0.05 1 161 . 15 U H1' H 5.335 0.005 1 162 . 15 U H2' H 4.209 0.005 1 163 . 15 U H3' H 4.437 0.005 1 164 . 15 U H4' H 4.357 0.005 1 165 . 15 U H5' H 4.47 0.005 1 166 . 15 U H5'' H 4.047 0.005 1 167 . 15 U H3 H 11.35 0.005 1 168 . 15 U H5 H 5.3 0.005 1 169 . 15 U H6 H 7.4 0.005 1 170 . 15 U N3 N 154.5 0.05 1 171 . 15 U C5 C 104.2 0.05 1 172 . 15 U C6 C 139.1 0.05 1 173 . 15 U C1' C 93.12 0.05 1 174 . 15 U C2' C 75.72 0.05 1 175 . 15 U C3' C 72.11 0.05 1 176 . 15 U C4' C 82.11 0.05 1 177 . 15 U C5' C 64.02 0.05 1 178 . 16 G H1' H 5.632 0.005 1 179 . 16 G H2' H 4.489 0.005 1 180 . 16 G H3' H 4.7 0.005 1 181 . 16 G H1 H 10.7 0.005 1 182 . 16 G H8 H 7.634 0.005 1 183 . 16 G N1 N 145.6 0.05 1 184 . 16 G C8 C 137.1 0.05 1 185 . 17 A H1' H 5.65 0.005 1 186 . 17 A H2' H 4.678 0.005 1 187 . 17 A H3' H 4.461 0.005 1 188 . 17 A H4' H 4.147 0.005 1 189 . 17 A H5' H 4.177 0.005 1 190 . 17 A H5'' H 3.966 0.005 1 191 . 17 A H2 H 7.743 0.005 1 192 . 17 A H8 H 8.317 0.005 1 193 . 17 A N1 N 224.7 0.05 1 194 . 17 A N3 N 215.8 0.05 1 195 . 17 A C2 C 154.4 0.05 1 196 . 17 A C8 C 142.2 0.05 1 197 . 18 A H1' H 5.473 0.005 1 198 . 18 A H2' H 4.393 0.005 1 199 . 18 A H3' H 4.634 0.005 1 200 . 18 A H4' H 4.332 0.005 1 201 . 18 A H5'' H 3.938 0.005 1 202 . 18 A H2 H 7.697 0.005 1 203 . 18 A H8 H 7.959 0.005 1 204 . 18 A N1 N 226.4 0.05 1 205 . 18 A N3 N 214.8 0.05 1 206 . 18 A C2 C 154.5 0.05 1 207 . 18 A C8 C 140.7 0.05 1 208 . 19 A H1' H 5.994 0.005 1 209 . 19 A H2' H 4.618 0.005 1 210 . 19 A H3' H 4.962 0.005 1 211 . 19 A H4' H 4.467 0.005 1 212 . 19 A H5' H 4.541 0.005 1 213 . 19 A H5'' H 4.285 0.005 1 214 . 19 A H2 H 8.159 0.005 1 215 . 19 A H8 H 8.192 0.005 1 216 . 19 A N1 N 226.2 0.05 1 217 . 19 A N3 N 215.9 0.05 1 218 . 19 A C2 C 155.5 0.05 1 219 . 19 A C8 C 141.1 0.05 1 220 . 19 A C1' C 91.47 0.05 1 221 . 19 A C2' C 76.43 0.05 1 222 . 19 A C3' C 73.94 0.05 1 223 . 19 A C4' C 82.69 0.05 1 224 . 19 A C5' C 65.75 0.05 1 225 . 20 G H1' H 4.04 0.005 1 226 . 20 G H2' H 4.369 0.005 1 227 . 20 G H3' H 4.457 0.005 1 228 . 20 G H4' H 4.283 0.005 1 229 . 20 G H5'' H 3.805 0.005 1 230 . 20 G H1 H 11.51 0.005 1 231 . 20 G H8 H 7.772 0.005 1 232 . 20 G N1 N 144.3 0.05 1 233 . 20 G C8 C 137.7 0.05 1 234 . 21 U H1' H 5.477 0.005 1 235 . 21 U H2' H 4.374 0.005 1 236 . 21 U H3 H 14.35 0.005 1 237 . 21 U H5 H 5.134 0.005 1 238 . 21 U H6 H 7.724 0.005 1 239 . 21 U N3 N 162.4 0.05 1 240 . 21 U C5 C 102.4 0.05 1 241 . 21 U C6 C 141.5 0.05 1 242 . 22 C H1' H 5.541 0.005 1 243 . 22 C H2' H 4.456 0.005 1 244 . 22 C H3' H 4.51 0.005 1 245 . 22 C H4' H 4.411 0.005 1 246 . 22 C H5'' H 4.071 0.005 1 247 . 22 C H5 H 5.588 0.005 1 248 . 22 C H6 H 7.823 0.005 1 249 . 22 C H41 H 8.306 0.005 1 250 . 22 C H42 H 6.908 0.005 1 251 . 22 C N3 N 196.9 0.05 1 252 . 22 C C5 C 97.54 0.05 1 253 . 22 C C6 C 141.2 0.05 1 254 . 23 G H1' H 5.617 0.005 1 255 . 23 G H2' H 4.462 0.005 1 256 . 23 G H3' H 4.424 0.005 1 257 . 23 G H4' H 4.534 0.005 1 258 . 23 G H5'' H 4.066 0.005 1 259 . 23 G H1 H 12.75 0.005 1 260 . 23 G H8 H 7.508 0.005 1 261 . 23 G H22 H 5.855 0.005 1 262 . 23 G N1 N 147.1 0.05 1 263 . 23 G C8 C 136.1 0.05 1 264 . 24 C H1' H 5.397 0.005 1 265 . 24 C H2' H 4.352 0.005 1 266 . 24 C H3' H 4.393 0.005 1 267 . 24 C H4' H 4.537 0.005 1 268 . 24 C H5'' H 4.069 0.005 1 269 . 24 C H5 H 5.127 0.005 1 270 . 24 C H6 H 7.45 0.005 1 271 . 24 C H41 H 8.152 0.005 1 272 . 24 C H42 H 6.874 0.005 1 273 . 24 C N3 N 196.1 0.05 1 274 . 24 C C5 C 97.12 0.05 1 275 . 24 C C6 C 140.3 0.05 1 276 . 25 A H1' H 5.839 0.005 1 277 . 25 A H2' H 4.183 0.005 1 278 . 25 A H3' H 4.533 0.005 1 279 . 25 A H4' H 4.405 0.005 1 280 . 25 A H5' H 4.449 0.005 1 281 . 25 A H5'' H 4.055 0.005 1 282 . 25 A H2 H 7.161 0.005 1 283 . 25 A H8 H 7.929 0.005 1 284 . 25 A N1 N 225.1 0.05 1 285 . 25 A N3 N 214.5 0.05 1 286 . 25 A C2 C 154 0.05 1 287 . 25 A C8 C 139.6 0.05 1 288 . 25 A C3' C 71.97 0.05 1 289 . 25 A C4' C 84.87 0.05 1 290 . 25 A C5' C 66.52 0.05 1 291 . 26 C H1' H 5.589 0.005 1 292 . 26 C H2' H 4.113 0.005 1 293 . 26 C H3' H 4.493 0.005 1 294 . 26 C H4' H 4.371 0.005 1 295 . 26 C H5' H 4.236 0.005 1 296 . 26 C H5'' H 4.042 0.005 1 297 . 26 C H5 H 5.408 0.005 1 298 . 26 C H6 H 7.434 0.005 1 299 . 26 C C5 C 97.41 0.05 1 300 . 26 C C6 C 141.8 0.05 1 301 . 27 G H1' H 5.63 0.005 1 302 . 27 G H2' H 4.703 0.005 1 303 . 27 G H3' H 4.68 0.005 1 304 . 27 G H4' H 4.555 0.005 1 305 . 27 G H8 H 7.849 0.005 1 306 . 27 G C8 C 139.5 0.05 1 307 . 27 G C1' C 86.12 0.05 1 308 . 27 G C2' C 75.08 0.05 1 309 . 27 G C3' C 75.02 0.05 1 310 . 27 G C4' C 83.44 0.05 1 311 . 27 G C5' C 67.71 0.05 1 312 . 28 U H1' H 5.659 0.005 1 313 . 28 U H2' H 4.508 0.005 1 314 . 28 U H3' H 4.607 0.005 1 315 . 28 U H4' H 4.623 0.005 1 316 . 28 U H5 H 5.563 0.005 1 317 . 28 U H6 H 7.847 0.005 1 318 . 28 U N3 N 161.7 0.05 1 319 . 28 U C5 C 104.2 0.05 1 320 . 28 U C6 C 142.2 0.05 1 321 . 29 A H1' H 6.022 0.005 1 322 . 29 A H2' H 4.564 0.005 1 323 . 29 A H3' H 4.709 0.005 1 324 . 29 A H4' H 4.547 0.005 1 325 . 29 A H5'' H 4.207 0.005 1 326 . 29 A H2 H 7.232 0.005 1 327 . 29 A H8 H 8.25 0.005 1 328 . 29 A H61 H 7.849 0.005 1 329 . 29 A N1 N 222.3 0.05 1 330 . 29 A N3 N 212.1 0.05 1 331 . 29 A C2 C 153.3 0.05 1 332 . 29 A C8 C 140.1 0.05 1 333 . 29 A C1' C 92.67 0.05 1 334 . 29 A C2' C 75.65 0.05 1 335 . 29 A C3' C 73.04 0.05 1 336 . 29 A C4' C 82.23 0.05 1 337 . 30 C H1' H 5.406 0.005 1 338 . 30 C H2' H 4.384 0.005 1 339 . 30 C H3' H 4.486 0.005 1 340 . 30 C H4' H 4.405 0.005 1 341 . 30 C H5' H 4.432 0.005 1 342 . 30 C H5'' H 4.049 0.005 1 343 . 30 C H5 H 5.181 0.005 1 344 . 30 C H6 H 7.467 0.005 1 345 . 30 C H41 H 8.166 0.005 1 346 . 30 C H42 H 6.83 0.005 1 347 . 30 C N3 N 196.7 0.05 1 348 . 30 C C5 C 97.25 0.05 1 349 . 30 C C6 C 140.4 0.05 1 350 . 31 G H1' H 5.695 0.005 1 351 . 31 G H2' H 4.644 0.005 1 352 . 31 G H3' H 4.544 0.005 1 353 . 31 G H5' H 4.409 0.005 1 354 . 31 G H5'' H 4.097 0.005 1 355 . 31 G H1 H 12.47 0.005 1 356 . 31 G H8 H 7.487 0.005 1 357 . 31 G H21 H 8.04 0.005 1 358 . 31 G H22 H 5.889 0.005 1 359 . 31 G N1 N 146.5 0.05 1 360 . 31 G C8 C 136.1 0.05 1 361 . 32 G H1' H 5.723 0.005 1 362 . 32 G H2' H 4.638 0.005 1 363 . 32 G H3' H 4.374 0.005 1 364 . 32 G H4' H 4.456 0.005 1 365 . 32 G H5' H 4.492 0.005 1 366 . 32 G H5'' H 4.07 0.005 1 367 . 32 G H1 H 13.43 0.005 1 368 . 32 G H8 H 7.209 0.005 1 369 . 32 G H22 H 6.181 0.005 1 370 . 32 G N1 N 148.3 0.05 1 371 . 32 G C8 C 135.9 0.05 1 372 . 33 U H1' H 5.536 0.005 1 373 . 33 U H2' H 4.172 0.005 1 374 . 33 U H3' H 4.54 0.005 1 375 . 33 U H3 H 12.22 0.005 1 376 . 33 U H5 H 5.427 0.005 1 377 . 33 U H6 H 7.743 0.005 1 378 . 33 U N3 N 158.5 0.05 1 379 . 33 U C5 C 103.8 0.05 1 380 . 33 U C6 C 140.5 0.05 1 381 . 34 U H1' H 5.641 0.005 1 382 . 34 U H2' H 4.501 0.005 1 383 . 34 U H3' H 4.538 0.005 1 384 . 34 U H4' H 4.412 0.005 1 385 . 34 U H5'' H 4.091 0.005 1 386 . 34 U H3 H 14.47 0.005 1 387 . 34 U H5 H 5.617 0.005 1 388 . 34 U H6 H 8.088 0.005 1 389 . 34 U N3 N 162.8 0.05 1 390 . 34 U C5 C 103.6 0.05 1 391 . 34 U C6 C 143.2 0.05 1 392 . 35 C H1' H 5.571 0.005 1 393 . 35 C H2' H 4.206 0.005 1 394 . 35 C H3' H 4.425 0.005 1 395 . 35 C H4' H 4.447 0.005 1 396 . 35 C H5'' H 4.081 0.005 1 397 . 35 C H5 H 5.685 0.005 1 398 . 35 C H6 H 7.894 0.005 1 399 . 35 C H41 H 8.497 0.005 1 400 . 35 C H42 H 7.058 0.005 1 401 . 35 C N3 N 198 0.05 1 402 . 35 C C5 C 97.83 0.05 1 403 . 35 C C6 C 142 0.05 1 404 . 35 C C4' C 82.21 0.05 1 405 . 36 C H1' H 5.704 0.005 1 406 . 36 C H5 H 5.482 0.005 1 407 . 36 C H6 H 7.671 0.005 1 408 . 36 C N3 N 197.8 0.05 1 409 . 36 C C5 C 97.51 0.05 1 410 . 36 C C6 C 140.9 0.05 1 stop_ save_