data_5256 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Unmodified Anticodon Stem-loop from E. coli tRNA(Phe) ; _BMRB_accession_number 5256 _BMRB_flat_file_name bmr5256.str _Entry_type original _Submission_date 2002-01-11 _Accession_date 2002-01-11 _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 Cabello-Villegas J. . . 2 Winkler M. E. . 3 Nikonowicz E. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 147 "13C chemical shifts" 110 "15N chemical shifts" 16 "31P chemical shifts" 17 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-09-10 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5259 'I6A modified anticodon Stem-loop from E. coli tRNA(Phe)' stop_ _Original_release_date 2002-09-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Conformations of Unmodified and A(37)N(6)-dimethylallyl Modified Anticodon Stem-loops of Escherichia coli tRNA (Phe) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22075324 _PubMed_ID 12079344 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cabello-Villegas J. . . 2 Winkler M. E. . 3 Nikonowicz E. P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 319 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1015 _Page_last 1034 _Year 2002 _Details . loop_ _Keyword hairpin 'RNA stem-loop' 'trinucleotide loop' stop_ save_ ################################## # Molecular system description # ################################## save_system_ACSL(Phe) _Saveframe_category molecular_system _Mol_system_name 'Anticodon Stem-loop of tRNA(Phe)' _Abbreviation_common ACSL(Phe) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'anticodon stem-loop of tRNA(PHE)' $ACSL(Phe) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'Structure coordinates for only the unmodified RNA hairpin were deposited.' save_ ######################## # Monomeric polymers # ######################## save_ACSL(Phe) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'anticodon stem-loop tRNA(Phe)' _Abbreviation_common ACSL(Phe) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence GGGGAUUGAAAAUCCCC loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 27 G 2 28 G 3 29 G 4 30 G 5 31 A 6 32 U 7 33 U 8 34 G 9 35 A 10 36 A 11 37 A 12 38 A 13 39 U 14 40 C 15 41 C 16 42 C 17 43 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 $ACSL(Phe) 'E. coli' 562 Eubacteria . Escherichia coli 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 $ACSL(Phe) 'enzymatic semisynthesis' . . . . . 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 $ACSL(Phe) 2 mM '[U-98% 15N]' NaCl 10.0 mM . KPi 10.0 mM . 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 $ACSL(Phe) . mM 1.0 2.3 '[U-95% 13C]' NaCl 10.0 mM . . . KPi 10.0 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version '3.861 & 3.1' loop_ _Task refinement 'structure solution' stop_ _Details 'Brunger, A.' save_ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task 'data analysis' stop_ _Details MSI-Biosym save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_HNN-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY _Sample_label . save_ save_P31-1H_HetCor_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'P31-1H HetCor' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'P31-1H HetCor' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.8 0.1 n/a pressure 1 . atm temperature 285 1 K stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.8 0.1 n/a pressure 1 . atm temperature 298 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 TSP C 13 'methyl carbon' ppm 0.00 external direct cylindrical external parallel 1.0 H2O H 1 protons ppm 4.760 internal direct cylindrical internal parallel 1.0 NH4OH N 15 nitrogen ppm 0.00 external direct cylindrical external parallel 1.0 TMP P 31 phosphate ppm 0.00 external direct cylindrical external parallel 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_cond_2 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'anticodon stem-loop of tRNA(PHE)' _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 8.11 0.01 1 2 . 1 G H1' H 5.78 0.01 1 3 . 1 G H2' H 4.87 0.01 1 4 . 1 G H5' H 4.11 0.01 2 5 . 1 G C8 C 139.12 0.05 1 6 . 1 G C1' C 92.34 0.05 1 7 . 1 G P P -1.09 0.01 1 8 . 2 G H8 H 7.49 0.01 1 9 . 2 G H1' H 5.90 0.01 1 10 . 2 G H2' H 4.64 0.01 1 11 . 2 G H3' H 4.60 0.01 1 12 . 2 G H4' H 4.53 0.01 1 13 . 2 G H5' H 4.52 0.01 2 14 . 2 G H5'' H 4.21 0.01 2 15 . 2 G C8 C 136.64 0.05 1 16 . 2 G C1' C 92.81 0.05 1 17 . 2 G C2' C 75.57 0.05 1 18 . 2 G C3' C 72.74 0.05 1 19 . 2 G C4' C 82.23 0.05 1 20 . 2 G C5' C 65.72 0.05 1 21 . 2 G P P -3.68 0.01 1 22 . 3 G H8 H 7.19 0.01 1 23 . 3 G H1' H 5.79 0.01 1 24 . 3 G H2' H 4.63 0.01 1 25 . 3 G H3' H 4.50 0.01 1 26 . 3 G H4' H 4.49 0.01 1 27 . 3 G H5' H 4.49 0.01 2 28 . 3 G H5'' H 4.08 0.01 2 29 . 3 G C8 C 135.94 0.05 1 30 . 3 G C1' C 92.87 0.05 1 31 . 3 G C2' C 75.74 0.05 1 32 . 3 G C3' C 72.89 0.05 1 33 . 3 G C4' C 82.09 0.05 1 34 . 3 G C5' C 65.48 0.05 1 35 . 3 G P P -3.69 0.01 1 36 . 4 G H8 H 7.11 0.01 1 37 . 4 G H1' H 5.73 0.01 1 38 . 4 G H2' H 4.64 0.01 1 39 . 4 G H3' H 4.46 0.01 1 40 . 4 G H4' H 4.50 0.01 1 41 . 4 G H5' H 4.43 0.01 2 42 . 4 G H5'' H 4.05 0.01 2 43 . 4 G C8 C 136.21 0.05 1 44 . 4 G C1' C 93.15 0.05 1 45 . 4 G C2' C 75.58 0.05 1 46 . 4 G C3' C 73.32 0.05 1 47 . 4 G C4' C 82.16 0.05 1 48 . 4 G C5' C 65.80 0.05 1 49 . 4 G P P -3.66 0.01 1 50 . 5 A H8 H 7.67 0.01 1 51 . 5 A H2 H 7.77 0.01 1 52 . 5 A H1' H 5.96 0.01 1 53 . 5 A H2' H 4.49 0.01 1 54 . 5 A H3' H 4.53 0.01 1 55 . 5 A H4' H 4.52 0.01 1 56 . 5 A H5' H 4.53 0.01 2 57 . 5 A H5'' H 4.09 0.01 2 58 . 5 A C8 C 139.45 0.05 1 59 . 5 A C2 C 153.93 0.05 1 60 . 5 A C1' C 93.33 0.05 1 61 . 5 A C2' C 75.57 0.05 1 62 . 5 A C3' C 72.84 0.05 1 63 . 5 A C4' C 82.28 0.05 1 64 . 5 A C5' C 65.21 0.05 1 65 . 5 A P P -4.03 0.01 1 66 . 6 U H6 H 7.48 0.01 1 67 . 6 U H5 H 5.00 0.01 1 68 . 6 U H1' H 5.49 0.01 1 69 . 6 U H2' H 4.19 0.01 1 70 . 6 U H3' H 4.36 0.01 1 71 . 6 U H4' H 4.38 0.01 1 72 . 6 U H5' H 4.51 0.01 2 73 . 6 U H5'' H 4.05 0.01 2 74 . 6 U C6 C 141.34 0.05 1 75 . 6 U C5 C 103.09 0.05 1 76 . 6 U C1' C 93.37 0.05 1 77 . 6 U C2' C 75.65 0.05 1 78 . 6 U C3' C 72.61 0.05 1 79 . 6 U C4' C 82.3 0.05 1 80 . 6 U C5' C 64.87 0.05 1 81 . 6 U P P -4.41 0.01 1 82 . 7 U H6 H 7.54 0.01 1 83 . 7 U H5 H 5.27 0.01 1 84 . 7 U H1' H 5.75 0.01 1 85 . 7 U H2' H 4.31 0.01 1 86 . 7 U H3' H 4.40 0.01 1 87 . 7 U H4' H 4.35 0.01 1 88 . 7 U H5' H 4.39 0.01 2 89 . 7 U H5'' H 4.06 0.01 2 90 . 7 U C6 C 141.56 0.05 1 91 . 7 U C5 C 104.01 0.05 1 92 . 7 U C1' C 92.95 0.05 1 93 . 7 U C2' C 76.12 0.05 1 94 . 7 U C3' C 73.85 0.05 1 95 . 7 U C4' C 83.21 0.05 1 96 . 7 U C5' C 65.96 0.05 1 97 . 7 U P P -4.04 0.01 1 98 . 8 G H8 H 7.95 0.01 1 99 . 8 G H1' H 5.49 0.01 1 100 . 8 G H2' H 4.71 0.01 1 101 . 8 G H3' H 4.60 0.01 1 102 . 8 G H4' H 4.43 0.01 1 103 . 8 G H5' H 4.17 0.01 2 104 . 8 G H5'' H 4.03 0.01 2 105 . 8 G C8 C 139.41 0.05 1 106 . 8 G C1' C 88.27 0.05 1 107 . 8 G C2' C 74.95 0.05 1 108 . 8 G C3' C 77.74 0.05 1 109 . 8 G C4' C 84.95 0.05 1 110 . 8 G C5' C 67.04 0.05 1 111 . 8 G P P -4.03 0.01 1 112 . 9 A H8 H 8.10 0.01 1 113 . 9 A H2 H 8.04 0.01 1 114 . 9 A H1' H 5.46 0.01 1 115 . 9 A H2' H 4.35 0.01 1 116 . 9 A H3' H 4.55 0.01 1 117 . 9 A H4' H 3.70 0.01 1 118 . 9 A H5' H 3.79 0.01 2 119 . 9 A H5'' H 3.51 0.01 2 120 . 9 A C8 C 141.96 0.05 1 121 . 9 A C2 C 155.24 0.05 1 122 . 9 A C1' C 88.39 0.05 1 123 . 9 A C2' C 77.31 0.05 1 124 . 9 A C3' C 77.81 0.05 1 125 . 9 A C4' C 84.95 0.05 1 126 . 9 A C5' C 67.72 0.05 1 127 . 9 A P P -3.37 0.01 1 128 . 10 A H8 H 7.88 0.01 1 129 . 10 A H2 H 7.91 0.01 1 130 . 10 A H1' H 5.68 0.01 1 131 . 10 A H2' H 4.73 0.01 1 132 . 10 A H3' H 4.81 0.01 1 133 . 10 A H4' H 4.46 0.01 1 134 . 10 A H5' H 4.09 0.01 2 135 . 10 A H5'' H 3.97 0.01 2 136 . 10 A C8 C 140.97 0.05 1 137 . 10 A C2 C 155.07 0.05 1 138 . 10 A C1' C 88.90 0.05 1 139 . 10 A C2' C 75.52 0.05 1 140 . 10 A C3' C 77.15 0.05 1 141 . 10 A C4' C 84.78 0.05 1 142 . 10 A C5' C 68.55 0.05 1 143 . 10 A P P -3.96 0.01 1 144 . 11 A H8 H 8.22 0.01 1 145 . 11 A H2 H 7.19 0.01 1 146 . 11 A H1' H 5.78 0.01 1 147 . 11 A H2' H 4.82 0.01 1 148 . 11 A H3' H 4.66 0.01 1 149 . 11 A H4' H 4.65 0.01 1 150 . 11 A H5' H 4.35 0.01 2 151 . 11 A C8 C 141.50 0.05 1 152 . 11 A C2 C 153.41 0.05 1 153 . 11 A C1' C 89.32 0.05 1 154 . 11 A C2' C 75.30 0.05 1 155 . 11 A C3' C 76.23 0.05 1 156 . 11 A C4' C 84.51 0.05 1 157 . 11 A C5' C 68.94 0.05 1 158 . 11 A P P -3.43 0.01 1 159 . 12 A H8 H 7.82 0.01 1 160 . 12 A H2 H 7.82 0.01 1 161 . 12 A H1' H 5.76 0.01 1 162 . 12 A H2' H 4.41 0.01 1 163 . 12 A H3' H 4.40 0.01 1 164 . 12 A H4' H 4.59 0.01 1 165 . 12 A H5' H 4.36 0.01 2 166 . 12 A C8 C 139.93 0.05 1 167 . 12 A C2 C 154.06 0.05 1 168 . 12 A C1' C 92.87 0.05 1 169 . 12 A C2' C 75.30 0.05 1 170 . 12 A C3' C 74.08 0.05 1 171 . 12 A C4' C 83.14 0.05 1 172 . 12 A C5' C 68.04 0.05 1 173 . 12 A P P -3.41 0.01 1 174 . 13 U H6 H 7.68 0.01 1 175 . 13 U H5 H 4.94 0.01 1 176 . 13 U H1' H 5.50 0.01 1 177 . 13 U H2' H 4.31 0.01 1 178 . 13 U H3' H 4.45 0.01 1 179 . 13 U H4' H 4.43 0.01 1 180 . 13 U H5' H 4.52 0.01 2 181 . 13 U H5'' H 4.05 0.01 2 182 . 13 U C6 C 141.81 0.05 1 183 . 13 U C5 C 102.54 0.05 1 184 . 13 U C1' C 93.37 0.05 1 185 . 13 U C2' C 75.52 0.05 1 186 . 13 U C3' C 72.27 0.05 1 187 . 13 U C4' C 82.12 0.05 1 188 . 13 U C5' C 64.39 0.05 1 189 . 13 U P P -4.63 0.01 1 190 . 14 C H6 H 7.84 0.01 1 191 . 14 C H5 H 5.54 0.01 1 192 . 14 C H1' H 5.56 0.01 1 193 . 14 C H2' H 4.29 0.01 1 194 . 14 C H3' H 4.47 0.01 1 195 . 14 C H4' H 4.44 0.01 1 196 . 14 C H5' H 4.50 0.01 2 197 . 14 C H5'' H 4.07 0.01 2 198 . 14 C C6 C 141.71 0.05 1 199 . 14 C C5 C 97.39 0.05 1 200 . 14 C C1' C 93.86 0.05 1 201 . 14 C C2' C 75.59 0.05 1 202 . 14 C C3' C 72.47 0.05 1 203 . 14 C C4' C 81.89 0.05 1 204 . 14 C C5' C 64.83 0.05 1 205 . 14 C P P -4.33 0.01 1 206 . 15 C H6 H 7.78 0.01 1 207 . 15 C H5 H 5.45 0.01 1 208 . 15 C H1' H 5.43 0.01 1 209 . 15 C H2' H 4.35 0.01 1 210 . 15 C H3' H 4.47 0.01 1 211 . 15 C H4' H 4.41 0.01 1 212 . 15 C H5' H 4.54 0.01 2 213 . 15 C H5'' H 4.06 0.01 2 214 . 15 C C6 C 141.5 0.05 1 215 . 15 C C5 C 97.41 0.05 1 216 . 15 C C1' C 94.05 0.05 1 217 . 15 C C2' C 75.36 0.05 1 218 . 15 C C3' C 72.28 0.05 1 219 . 15 C C4' C 81.95 0.05 1 220 . 15 C C5' C 64.54 0.05 1 221 . 15 C P P -4.45 0.01 1 222 . 16 C H6 H 7.78 0.01 1 223 . 16 C H5 H 5.45 0.01 1 224 . 16 C H1' H 5.46 0.01 1 225 . 16 C H2' H 4.25 0.01 1 226 . 16 C H3' H 4.48 0.01 1 227 . 16 C H4' H 4.40 0.01 1 228 . 16 C H5' H 4.53 0.01 2 229 . 16 C H5'' H 4.04 0.01 2 230 . 16 C C6 C 141.5 0.05 1 231 . 16 C C5 C 97.41 0.05 1 232 . 16 C C1' C 94.21 0.05 1 233 . 16 C C2' C 75.46 0.05 1 234 . 16 C C3' C 72.09 0.05 1 235 . 16 C C4' C 82.2 0.05 1 236 . 16 C C5' C 64.61 0.05 1 237 . 16 C P P -4.45 0.01 1 238 . 17 C H6 H 7.66 0.01 1 239 . 17 C H5 H 5.46 0.01 1 240 . 17 C H1' H 5.71 0.01 1 241 . 17 C H2' H 3.98 0.01 1 242 . 17 C H3' H 4.17 0.01 1 243 . 17 C H4' H 4.17 0.01 1 244 . 17 C H5' H 4.47 0.01 2 245 . 17 C H5'' H 4.01 0.01 2 246 . 17 C C6 C 141.81 0.05 1 247 . 17 C C5 C 97.92 0.05 1 248 . 17 C C1' C 92.87 0.05 1 249 . 17 C C2' C 77.43 0.05 1 250 . 17 C C3' C 69.77 0.05 1 251 . 17 C C4' C 83.72 0.05 1 252 . 17 C C5' C 65.43 0.05 1 253 . 17 C P P -4.24 0.01 1 stop_ save_ save_chemical_shift_2 _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_reference _Mol_system_component_name 'anticodon stem-loop of tRNA(PHE)' _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 12.53 0.01 1 2 . 1 G N1 N 144.79 0.03 1 3 . 2 G H1 H 12.71 0.01 1 4 . 2 G N1 N 144.62 0.03 1 5 . 3 G H1 H 12.54 0.01 1 6 . 3 G N1 N 144.70 0.03 1 7 . 4 G H1 H 12.28 0.01 1 8 . 4 G N1 N 144.28 0.03 1 9 . 5 A H2 H 6.51 0.01 1 10 . 5 A H61 H 7.93 0.01 1 11 . 5 A N6 N 80.64 0.03 1 12 . 6 U H3 H 13.59 0.01 1 13 . 6 U N3 N 158.32 0.03 1 14 . 7 U H3 H 13.23 0.01 1 15 . 7 U N3 N 158.47 0.03 1 16 . 8 G H1 H 10.55 0.01 1 17 . 8 G N1 N 143.30 0.03 1 18 . 8 G H21 H 6.28 0.01 1 19 . 8 G N2 N 71.97 0.03 1 20 . 9 A H61 H 6.43 0.01 1 21 . 9 A N6 N 75.52 0.03 1 22 . 10 A H61 H 6.43 0.01 1 23 . 10 A N6 N 75.52 0.03 1 24 . 13 U H3 H 14.08 0.01 1 25 . 13 U N3 N 159.53 0.03 1 26 . 14 C H41 H 6.93 0.01 1 27 . 14 C H6 H 8.44 0.01 1 28 . 14 C N4 N 95.52 0.03 1 29 . 15 C H41 H 6.89 0.01 1 30 . 15 C H6 H 8.46 0.01 1 31 . 15 C N4 N 95.27 0.03 1 32 . 16 C H41 H 6.93 0.01 1 33 . 16 C H6 H 8.46 0.01 1 34 . 16 C N4 N 95.29 0.03 1 35 . 17 C H41 H 7.04 0.01 1 36 . 17 C H6 H 8.29 0.01 1 37 . 17 C N4 N 94.23 0.03 1 stop_ save_