data_17520 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Unmodified_ASL_Tyr ; _BMRB_accession_number 17520 _BMRB_flat_file_name bmr17520.str _Entry_type original _Submission_date 2011-03-10 _Accession_date 2011-03-10 _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 Denmon Andria P. . 2 Wang Jiachen . . 3 Nikonowicz Edward P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 136 "13C chemical shifts" 116 "15N chemical shifts" 41 "31P chemical shifts" 16 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-21 update BMRB 'update entry citation' 2011-08-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17517 'Pseudouridine ASL_Tyr' 17572 'i6A37 tyrASL' 17573 'Conformation Effects of Base Modification on the Anticodon Stem-loop of Bacillus subtilis tRNATYR' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conformation effects of base modification on the anticodon stem-loop of Bacillus subtilis tRNA(Tyr).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21782828 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Denmon Andria P. . 2 Wang Jiachen . . 3 Nikonowicz Edward P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 412 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 285 _Page_last 303 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Unmodified ASL_Tyr' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Unmodified ASL_Tyr' $Unmod_tyrASL 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_Unmod_tyrASL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Unmod_tyrASL _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence GGGGACUGUAAAUCCCC loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 G 5 A 6 C 7 U 8 G 9 U 10 A 11 A 12 A 13 U 14 C 15 C 16 C 17 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 $Unmod_tyrASL 'B. subtilis' 1423 Bacteria . Bacillus subtilis 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 $Unmod_tyrASL 'cell free 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 $Unmod_tyrASL 2.0 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 10 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' EDTA 0.02 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 refinement stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_InsightII _Saveframe_category software _Name InsightII _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HCN_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCN' _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_2D_31P-1H_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 31P-1H' _Sample_label $sample_1 save_ save_2D_HCCH-RELAY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-RELAY' _Sample_label $sample_1 save_ save_2D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_8 _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 temperature 298 . K pH 6.3 . pH pressure 1 . atm 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 water H 1 protons ppm 4.8 internal direct . . . 1.0 water C 13 protons ppm 4.8 internal indirect . . . 0.25144954 water N 15 protons ppm 4.8 internal indirect . . . 0.10132900 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 '3D 1H-13C NOESY' '2D 1H-13C HSQC' '2D HCN' '2D 1H-1H TOCSY' '2D 31P-1H' '2D HCCH-RELAY' '2D HCCH-COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Unmodified ASL_Tyr' _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 G H8 H 8.02 0.03 1 2 2 2 G H1' H 5.90 0.03 1 3 2 2 G H3' H 4.58 0.03 1 4 2 2 G H4' H 4.50 0.03 1 5 2 2 G H5' H 4.49 0.03 . 6 2 2 G H5'' H 4.19 0.03 . 7 2 2 G H8 H 7.51 0.03 1 8 2 2 G HO2' H 4.65 0.03 1 9 2 2 G C1' C 92.83 0.03 1 10 2 2 G C2' C 75.68 0.03 1 11 2 2 G C3' C 72.74 0.03 1 12 2 2 G C4' C 82.25 0.03 1 13 2 2 G C5' C 69.60 0.03 1 14 2 2 G C8 C 136.32 0.03 1 15 2 2 G N7 N 233.31 0.06 1 16 2 2 G N9 N 169.81 0.06 1 17 2 2 G P P -3.72 0.03 1 18 3 3 G H1' H 5.78 0.03 1 19 3 3 G H3' H 4.48 0.03 1 20 3 3 G H4' H 4.46 0.03 1 21 3 3 G H5' H 4.47 0.03 . 22 3 3 G H5'' H 4.07 0.03 . 23 3 3 G H8 H 7.19 0.03 1 24 3 3 G HO2' H 4.64 0.03 1 25 3 3 G C1' C 92.87 0.03 1 26 3 3 G C2' C 75.72 0.03 1 27 3 3 G C3' C 72.82 0.03 1 28 3 3 G C4' C 82.03 0.03 1 29 3 3 G C5' C 65.34 0.03 1 30 3 3 G C8 C 135.67 0.03 1 31 3 3 G N7 N 233.96 0.06 1 32 3 3 G N9 N 169.52 0.06 1 33 3 3 G P P -3.56 0.03 1 34 4 4 G H1' H 5.74 0.03 1 35 4 4 G H3' H 4.42 0.03 1 36 4 4 G H4' H 4.46 0.03 1 37 4 4 G H5' H 4.39 0.03 . 38 4 4 G H5'' H 4.03 0.03 . 39 4 4 G H8 H 7.11 0.03 1 40 4 4 G HO2' H 4.68 0.03 1 41 4 4 G C1' C 93.17 0.03 1 42 4 4 G C2' C 75.81 0.03 1 43 4 4 G C3' C 73.08 0.03 1 44 4 4 G C4' C 82.21 0.03 1 45 4 4 G C5' C 65.90 0.03 1 46 4 4 G C8 C 135.83 0.03 1 47 4 4 G N7 N 234.40 0.06 1 48 4 4 G N9 N 169.15 0.06 1 49 4 4 G P P -3.54 0.03 1 50 5 5 A H1' H 5.93 0.03 1 51 5 5 A H2 H 7.83 0.03 1 52 5 5 A H3' H 4.44 0.03 1 53 5 5 A H4' H 4.47 0.03 1 54 5 5 A H5' H 4.51 0.03 . 55 5 5 A H5'' H 4.07 0.03 . 56 5 5 A H8 H 7.58 0.03 1 57 5 5 A H61 H 7.91 0.03 . 58 5 5 A H62 H 6.71 0.03 . 59 5 5 A HO2' H 4.63 0.03 1 60 5 5 A C1' C 93.57 0.03 1 61 5 5 A C2 C 152.76 0.03 1 62 5 5 A C2' C 75.81 0.03 1 63 5 5 A C3' C 72.56 0.03 1 64 5 5 A C4' C 82.38 0.03 1 65 5 5 A C5' C 64.90 0.03 1 66 5 5 A C8 C 138.93 0.03 1 67 5 5 A N1 N 222.75 0.06 1 68 5 5 A N3 N 214.03 0.06 1 69 5 5 A N6 N 82.19 0.06 1 70 5 5 A N7 N 231.26 0.06 1 71 5 5 A N9 N 170.40 0.06 1 72 5 5 A P P -3.90 0.03 1 73 6 6 C H1' H 5.39 0.03 1 74 6 6 C H3' H 4.38 0.03 1 75 6 6 C H4' H 4.32 0.03 1 76 6 6 C H5 H 5.37 0.03 1 77 6 6 C H5' H 4.45 0.03 . 78 6 6 C H5'' H 4.03 0.03 . 79 6 6 C H6 H 7.58 0.03 1 80 6 6 C H41 H 7.34 0.03 . 81 6 6 C H42 H 6.55 0.03 . 82 6 6 C HO2' H 4.10 0.03 1 83 6 6 C C1' C 93.52 0.03 1 84 6 6 C C2 C 159.94 0.03 1 85 6 6 C C2' C 76.03 0.03 1 86 6 6 C C3' C 72.52 0.03 1 87 6 6 C C4 C 167.96 0.03 1 88 6 6 C C4' C 82.43 0.03 1 89 6 6 C C5' C 64.29 0.03 1 90 6 6 C C6 C 140.73 0.03 1 91 6 6 C N1 N 152.25 0.03 1 92 6 6 C N4 N 96.88 0.06 1 93 6 6 C P P -4.23 0.03 1 94 7 7 U H1' H 5.69 0.03 1 95 7 7 U H3' H 4.41 0.03 1 96 7 7 U H4' H 4.31 0.03 1 97 7 7 U H5 H 5.63 0.03 1 98 7 7 U H5' H 4.28 0.03 . 99 7 7 U H5'' H 4.01 0.03 . 100 7 7 U H6 H 7.52 0.03 1 101 7 7 U HO2' H 4.21 0.03 1 102 7 7 U C1' C 92.26 0.03 1 103 7 7 U C2 C 154.60 0.03 1 104 7 7 U C2' C 75.90 0.03 1 105 7 7 U C3' C 74.74 0.03 1 106 7 7 U C4 C 167.96 0.03 1 107 7 7 U C4' C 83.73 0.03 1 108 7 7 U C5 C 83.51 0.03 1 109 7 7 U C5' C 66.34 0.03 1 110 7 7 U C6 C 141.87 0.03 1 111 7 7 U N1 N 144.62 0.06 1 112 7 7 U P P -3.95 0.03 1 113 8 8 G H1' H 5.61 0.03 1 114 8 8 G H3' H 4.71 0.03 1 115 8 8 G H4' H 4.31 0.03 1 116 8 8 G H5' H 4.11 0.03 . 117 8 8 G H5'' H 4.00 0.03 . 118 8 8 G H8 H 7.94 0.03 1 119 8 8 G HO2' H 4.58 0.03 1 120 8 8 G C1' C 88.69 0.03 1 121 8 8 G C2' C 78.16 0.03 1 122 8 8 G C3' C 75.09 0.03 1 123 8 8 G C4' C 85.73 0.03 1 124 8 8 G C5' C 67.30 0.03 1 125 8 8 G C8 C 139.63 0.03 1 126 8 8 G N1 N 166.07 0.06 1 127 8 8 G N7 N 237.34 0.06 1 128 8 8 G P P -3.72 0.03 1 129 9 9 U H1' H 5.57 0.03 1 130 9 9 U H3' H 4.44 0.03 1 131 9 9 U H4' H 3.90 0.03 1 132 9 9 U H5 H 5.56 0.03 1 133 9 9 U H5' H 3.80 0.03 . 134 9 9 U H5'' H 3.53 0.03 . 135 9 9 U H6 H 7.49 0.03 1 136 9 9 U HO2' H 4.08 0.03 1 137 9 9 U C1' C 89.17 0.03 1 138 9 9 U C2 C 155.36 0.03 1 139 9 9 U C2' C 75.72 0.03 1 140 9 9 U C3' C 77.59 0.03 1 141 9 9 U C4 C 168.23 0.03 1 142 9 9 U C4' C 84.69 0.03 1 143 9 9 U C5' C 67.82 0.03 1 144 9 9 U C6 C 143.22 0.03 1 145 9 9 U N1 N 143.16 0.06 1 146 9 9 U P P -3.68 0.03 1 147 10 10 A H1' H 5.73 0.03 1 148 10 10 A H2 H 7.83 0.03 1 149 10 10 A H3' H 4.73 0.03 1 150 10 10 A H4' H 4.41 0.03 1 151 10 10 A H5' H 4.10 0.03 . 152 10 10 A H5'' H 3.96 0.03 . 153 10 10 A H8 H 7.98 0.03 1 154 10 10 A H61 H 6.59 0.03 . 155 10 10 A HO2' H 4.67 0.03 1 156 10 10 A C1' C 89.95 0.03 1 157 10 10 A C2 C 154.41 0.03 1 158 10 10 A C2' C 75.81 0.03 1 159 10 10 A C3' C 76.77 0.03 1 160 10 10 A C4' C 84.51 0.03 1 161 10 10 A C5' C 68.21 0.03 1 162 10 10 A C8 C 141.31 0.03 1 163 10 10 A N1 N 224.51 0.06 1 164 10 10 A N3 N 217.40 0.06 1 165 10 10 A N6 N 77.82 0.06 1 166 10 10 A N7 N 231.55 0.06 1 167 10 10 A N9 N 168.42 0.06 1 168 10 10 A P P -3.84 0.03 1 169 11 11 A H1' H 5.85 0.03 1 170 11 11 A H2 H 7.50 0.03 1 171 11 11 A H4' H 4.62 0.03 1 172 11 11 A H5' H 4.36 0.03 . 173 11 11 A H5'' H 4.31 0.03 . 174 11 11 A H8 H 8.19 0.03 1 175 11 11 A H61 H 6.95 0.03 . 176 11 11 A C1' C 90.35 0.03 1 177 11 11 A C2 C 153.46 0.03 1 178 11 11 A C4' C 84.25 0.03 1 179 11 11 A C5' C 68.08 0.03 1 180 11 11 A C8 C 141.50 0.03 1 181 11 11 A N1 N 222.68 0.06 1 182 11 11 A N3 N 216.01 0.06 1 183 11 11 A N6 N 80.05 0.06 1 184 11 11 A N7 N 231.47 0.06 1 185 11 11 A N9 N 168.34 0.06 1 186 11 11 A P P -3.45 0.03 1 187 12 12 A H1' H 5.64 0.03 1 188 12 12 A H2 H 8.22 0.03 1 189 12 12 A H3' H 4.32 0.03 1 190 12 12 A H4' H 4.54 0.03 1 191 12 12 A H5' H 4.36 0.03 . 192 12 12 A H5'' H 4.28 0.03 . 193 12 12 A H8 H 8.01 0.03 1 194 12 12 A H61 H 6.76 0.03 . 195 12 12 A HO2' H 4.51 0.03 1 196 12 12 A C1' C 93.44 0.03 1 197 12 12 A C2 C 148.65 0.03 1 198 12 12 A C2' C 75.68 0.03 1 199 12 12 A C3' C 73.56 0.03 1 200 12 12 A C4' C 83.16 0.03 1 201 12 12 A C5' C 67.47 0.03 1 202 12 12 A C8 C 141.94 0.03 1 203 12 12 A N1 N 219.60 0.06 1 204 12 12 A N3 N 219.60 0.06 1 205 12 12 A N6 N 80.15 0.06 1 206 12 12 A N7 N 234.84 0.06 1 207 12 12 A N9 N 175.60 0.06 1 208 12 12 A P P -3.86 0.03 1 209 13 13 U H1' H 5.37 0.03 1 210 13 13 U H3' H 4.39 0.03 1 211 13 13 U H4' H 4.39 0.03 1 212 13 13 U H5 H 5.25 0.03 1 213 13 13 U H5' H 4.49 0.03 . 214 13 13 U H5'' H 4.06 0.03 . 215 13 13 U H6 H 7.72 0.03 1 216 13 13 U HO2' H 4.28 0.03 1 217 13 13 U C1' C 93.44 0.03 1 218 13 13 U C2 C 153.80 0.03 1 219 13 13 U C2' C 75.09 0.03 1 220 13 13 U C3' C 72.44 0.03 1 221 13 13 U C4 C 168.48 0.03 1 222 13 13 U C4' C 82.18 0.03 1 223 13 13 U C5 C 80.77 0.03 1 224 13 13 U C5' C 64.08 0.03 1 225 13 13 U C6 C 141.31 0.03 1 226 13 13 U N1 N 146.81 0.06 1 227 13 13 U P P -3.79 0.03 1 228 14 14 C H1' H 5.57 0.03 1 229 14 14 C H3' H 4.47 0.03 1 230 14 14 C H4' H 3.90 0.03 1 231 14 14 C H5 H 5.41 0.03 1 232 14 14 C H5' H 4.49 0.03 . 233 14 14 C H5'' H 4.05 0.03 . 234 14 14 C H6 H 7.88 0.03 1 235 14 14 C H41 H 8.40 0.03 . 236 14 14 C H42 H 6.99 0.03 . 237 14 14 C HO2' H 4.27 0.03 1 238 14 14 C C1' C 93.87 0.03 1 239 14 14 C C2 C 159.66 0.03 1 240 14 14 C C2' C 75.72 0.03 1 241 14 14 C C3' C 72.17 0.03 1 242 14 14 C C4 C 168.27 0.03 1 243 14 14 C C4' C 84.69 0.03 1 244 14 14 C C5' C 66.76 0.03 1 245 14 14 C C6 C 141.19 0.03 1 246 14 14 C N1 N 151.81 0.06 1 247 14 14 C N4 N 97.90 0.06 1 248 14 14 C P P -4.22 0.03 1 249 15 15 C H1' H 5.43 0.03 1 250 15 15 C H3' H 4.46 0.03 1 251 15 15 C H4' H 4.38 0.03 1 252 15 15 C H5 H 5.41 0.03 1 253 15 15 C H5' H 4.50 0.03 . 254 15 15 C H5'' H 4.04 0.03 . 255 15 15 C H6 H 7.79 0.03 1 256 15 15 C H41 H 8.44 0.03 . 257 15 15 C H42 H 6.90 0.03 . 258 15 15 C HO2' H 4.34 0.03 1 259 15 15 C C1' C 94.13 0.03 1 260 15 15 C C2 C 159.96 0.03 1 261 15 15 C C2' C 75.46 0.03 1 262 15 15 C C3' C 72.17 0.03 1 263 15 15 C C4 C 168.37 0.03 1 264 15 15 C C4' C 81.86 0.03 1 265 15 15 C C5' C 64.51 0.03 1 266 15 15 C C6 C 141.24 0.03 1 267 15 15 C N1 N 151.25 0.06 1 268 15 15 C N4 N 97.40 0.06 1 269 15 15 C P P -4.40 0.03 1 270 16 16 C H1' H 5.46 0.03 1 271 16 16 C H3' H 4.48 0.03 1 272 16 16 C H4' H 4.35 0.03 1 273 16 16 C H5 H 5.56 0.03 1 274 16 16 C H5' H 4.54 0.03 . 275 16 16 C H5'' H 4.02 0.03 . 276 16 16 C H6 H 7.80 0.03 1 277 16 16 C H41 H 8.43 0.03 . 278 16 16 C H42 H 6.86 0.03 . 279 16 16 C HO2' H 4.27 0.03 1 280 16 16 C C1' C 94.39 0.03 1 281 16 16 C C2 C 159.86 0.03 1 282 16 16 C C2' C 75.57 0.03 1 283 16 16 C C3' C 71.82 0.03 1 284 16 16 C C4 C 168.40 0.03 1 285 16 16 C C4' C 81.99 0.03 1 286 16 16 C C5' C 64.16 0.03 1 287 16 16 C C6 C 141.24 0.03 1 288 16 16 C N1 N 151.14 0.06 1 289 16 16 C N4 N 97.46 0.06 1 290 16 16 C P P -4.31 0.03 1 291 17 17 C H1' H 5.71 0.03 1 292 17 17 C H3' H 4.14 0.03 1 293 17 17 C H4' H 4.14 0.03 1 294 17 17 C H5 H 5.42 0.03 1 295 17 17 C H5' H 4.44 0.03 . 296 17 17 C H5'' H 3.99 0.03 . 297 17 17 C H6 H 7.66 0.03 1 298 17 17 C HO2' H 3.97 0.03 1 299 17 17 C C1' C 92.96 0.03 1 300 17 17 C C2 C 160.78 0.03 1 301 17 17 C C2' C 77.59 0.03 1 302 17 17 C C3' C 74.16 0.03 1 303 17 17 C C4 C 168.69 0.03 1 304 17 17 C C4' C 83.56 0.03 1 305 17 17 C C5' C 65.03 0.03 1 306 17 17 C C6 C 141.61 0.03 1 307 17 17 C N1 N 152.33 0.06 1 308 17 17 C N4 N 96.54 0.06 1 309 17 17 C P P -4.12 0.03 1 stop_ save_