data_17572 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; i6A37_tyrASL ; _BMRB_accession_number 17572 _BMRB_flat_file_name bmr17572.str _Entry_type original _Submission_date 2011-04-05 _Accession_date 2011-04-05 _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 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" 143 "13C chemical shifts" 101 "15N chemical shifts" 24 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-08-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17517 'Pseudouridine ASL_Tyr' 17520 'unmodified ASL_Tyr' 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 'i6A37 tyrASL' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'i6A37 tyrASL' $i6A37_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_i6A37_tyrASL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common i6A37_tyrASL _Molecular_mass 417.358 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence GGGGACUGUAXAUCCCC 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 6IA 12 A 13 U 14 C 15 C 16 C 17 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_6IA _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code 6IA _Standard_residue_derivative . _Molecular_mass 417.354 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 15:04:03 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OP3 OP3 O . 0 . ? P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? HOP3 HOP3 H . 0 . ? HOP2 HOP2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN6 HN6 H . 0 . ? H2 H2 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H14 H14 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H153 H153 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H163 H163 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING OP3 P ? ? SING OP3 HOP3 ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P O5' ? ? SING OP2 HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 C12 ? ? SING N6 HN6 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 C15 ? ? SING C14 C16 ? ? SING C14 H14 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C15 H153 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C16 H163 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $i6A37_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 $i6A37_tyrASL 'cell free synthesis' . E. "coli - cell free" . 'not applicable' 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 $i6A37_tyrASL 2.0 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' EDTA 0.02 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' processing 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 refinement 'structure solution' 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_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 $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_HCCH-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_Long_Range_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C Long Range HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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_HCNC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCNC' _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 pH 6.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_i6_tyrASL _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 C 13 protons ppm 4.17 internal indirect . . . 0.25144954 water H 1 protons ppm 4.17 internal direct . . . 1.0 water N 15 protons ppm 4.17 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 '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D HCCH-COSY' '2D 1H-13C Long Range HSQC' '3D 1H-13C NOESY' '2D HCCH-RELAY' '2D HCNC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $i6_tyrASL _Mol_system_component_name 'i6A37 tyrASL' _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 H1' H 5.70 0.03 1 2 1 1 G H8 H 8.10 0.03 1 3 2 2 G H1' H 5.89 0.03 1 4 2 2 G H3' H 4.63 0.03 1 5 2 2 G H4' H 4.49 0.03 1 6 2 2 G H5' H 4.52 0.03 1 7 2 2 G H5'' H 4.11 0.03 1 8 2 2 G H8 H 7.54 0.03 1 9 2 2 G HO2' H 4.60 0.03 1 10 2 2 G C1' C 92.66 0.03 1 11 2 2 G C2' C 74.53 0.03 1 12 2 2 G C3' C 71.08 0.03 1 13 2 2 G C4' C 81.62 0.03 1 14 2 2 G C5' C 65.81 0.03 1 15 2 2 G C8 C 136.54 0.03 1 16 2 2 G N7 N 232.12 0.06 1 17 3 3 G H1' H 5.78 0.03 1 18 3 3 G H3' H 4.47 0.03 1 19 3 3 G H4' H 4.45 0.03 1 20 3 3 G H5' H 4.51 0.03 1 21 3 3 G H5'' H 4.05 0.03 1 22 3 3 G H8 H 7.23 0.03 1 23 3 3 G HO2' H 4.59 0.03 1 24 3 3 G C1' C 92.66 0.03 1 25 3 3 G C2' C 74.64 0.03 1 26 3 3 G C3' C 71.48 0.03 1 27 3 3 G C4' C 81.62 0.03 1 28 3 3 G C5' C 66.11 0.03 1 29 3 3 G C8 C 135.85 0.03 1 30 3 3 G N7 N 235.20 0.06 1 31 4 4 G H1' H 5.72 0.03 1 32 4 4 G H3' H 4.41 0.03 1 33 4 4 G H4' H 4.28 0.03 1 34 4 4 G H5' H 4.43 0.03 1 35 4 4 G H5'' H 4.02 0.03 1 36 4 4 G H8 H 7.13 0.03 1 37 4 4 G HO2' H 4.50 0.03 1 38 4 4 G C1' C 93.04 0.03 1 39 4 4 G C2' C 74.35 0.03 1 40 4 4 G C3' C 72.80 0.03 1 41 4 4 G C4' C 83.86 0.03 1 42 4 4 G C5' C 66.80 0.03 1 43 4 4 G C8 C 136.15 0.03 1 44 4 4 G N7 N 234.93 0.06 1 45 5 5 A H1' H 5.99 0.03 1 46 5 5 A H2 H 7.90 0.03 1 47 5 5 A H3' H 4.52 0.03 1 48 5 5 A H4' H 4.43 0.03 1 49 5 5 A H5' H 4.09 0.03 1 50 5 5 A H5'' H 4.02 0.03 1 51 5 5 A H8 H 7.69 0.03 1 52 5 5 A H62 H 6.66 0.03 1 53 5 5 A HO2' H 4.53 0.03 1 54 5 5 A C1' C 92.93 0.03 1 55 5 5 A C2 C 154.78 0.03 1 56 5 5 A C2' C 74.80 0.03 1 57 5 5 A C3' C 71.84 0.03 1 58 5 5 A C4' C 82.11 0.03 1 59 5 5 A C5' C 65.61 0.03 1 60 5 5 A C8 C 138.97 0.03 1 61 5 5 A N1 N 223.10 0.06 1 62 5 5 A N3 N 212.74 0.06 1 63 5 5 A N6 N 80.24 0.06 1 64 5 5 A N7 N 230.03 0.06 1 65 6 6 C H1' H 5.52 0.03 1 66 6 6 C H3' H 4.00 0.03 1 67 6 6 C H4' H 4.33 0.03 1 68 6 6 C H5 H 5.32 0.03 1 69 6 6 C H5' H 4.28 0.03 1 70 6 6 C H5'' H 4.02 0.03 1 71 6 6 C H6 H 7.47 0.03 1 72 6 6 C H41 H 7.20 0.03 1 73 6 6 C H42 H 6.69 0.03 1 74 6 6 C HO2' H 4.01 0.03 1 75 6 6 C C1' C 92.22 0.03 1 76 6 6 C C2' C 75.62 0.03 1 77 6 6 C C3' C 74.16 0.03 1 78 6 6 C C4' C 82.98 0.03 1 79 6 6 C C5 C 96.71 0.03 1 80 6 6 C C5' C 66.42 0.03 1 81 6 6 C C6 C 141.07 0.03 1 82 6 6 C N4 N 96.12 0.06 1 83 7 7 U H1' H 5.70 0.03 1 84 7 7 U H3' H 4.44 0.03 1 85 7 7 U H4' H 4.22 0.03 1 86 7 7 U H5 H 5.58 0.03 1 87 7 7 U H5' H 4.05 0.03 1 88 7 7 U H5'' H 3.94 0.03 1 89 7 7 U H6 H 7.60 0.03 1 90 7 7 U HO2' H 4.22 0.03 1 91 7 7 U C1' C 91.13 0.03 1 92 7 7 U C2' C 74.51 0.03 1 93 7 7 U C3' C 74.64 0.03 1 94 7 7 U C4' C 84.42 0.03 1 95 7 7 U C5 C 103.90 0.03 1 96 7 7 U C5' C 68.11 0.03 1 97 7 7 U C6 C 142.82 0.03 1 98 8 8 G H1' H 5.66 0.03 1 99 8 8 G H3' H 4.68 0.03 1 100 8 8 G H4' H 4.37 0.03 1 101 8 8 G H5' H 4.11 0.03 1 102 8 8 G H5'' H 4.02 0.03 1 103 8 8 G H8 H 7.87 0.03 1 104 8 8 G HO2' H 4.71 0.03 1 105 8 8 G C1' C 89.88 0.03 1 106 8 8 G C2' C 74.75 0.03 1 107 8 8 G C3' C 76.54 0.03 1 108 8 8 G C4' C 85.26 0.03 1 109 8 8 G C5' C 68.59 0.03 1 110 8 8 G C8 C 140.00 0.03 1 111 8 8 G N7 N 235.49 0.06 1 112 9 9 U H1' H 5.39 0.03 1 113 9 9 U H3' H 4.36 0.03 1 114 9 9 U H4' H 4.45 0.03 1 115 9 9 U H5 H 5.52 0.03 1 116 9 9 U H5' H 4.43 0.03 1 117 9 9 U H5'' H 4.15 0.03 1 118 9 9 U H6 H 7.62 0.03 1 119 9 9 U HO2' H 4.22 0.03 1 120 9 9 U C1' C 93.04 0.03 1 121 9 9 U C2' C 74.51 0.03 1 122 9 9 U C3' C 71.76 0.03 1 123 9 9 U C4' C 82.65 0.03 1 124 9 9 U C5' C 66.58 0.03 1 125 9 9 U C6 C 143.46 0.03 1 126 10 10 A H1' H 5.81 0.03 1 127 10 10 A H2 H 7.73 0.03 1 128 10 10 A H3' H 4.56 0.03 1 129 10 10 A H4' H 4.56 0.03 1 130 10 10 A H8 H 7.73 0.03 1 131 10 10 A H62 H 6.39 0.03 1 132 10 10 A HO2' H 4.82 0.03 1 133 10 10 A C1' C 92.06 0.03 1 134 10 10 A C2 C 154.48 0.03 1 135 10 10 A C2' C 74.58 0.03 1 136 10 10 A C3' C 73.42 0.03 1 137 10 10 A C4' C 83.90 0.03 1 138 10 10 A C5' C 68.54 0.03 1 139 10 10 A N1 N 224.51 0.06 1 140 10 10 A N3 N 215.43 0.06 1 141 10 10 A N6 N 78.96 0.06 1 142 10 10 A N7 N 231.56 0.06 1 143 11 11 6IA C1' C 90.97 0.03 1 144 11 11 6IA C2 C 154.57 0.03 1 145 11 11 6IA C2' C 74.42 0.03 1 146 11 11 6IA C3' C 74.17 0.03 1 147 11 11 6IA C4' C 83.20 0.03 1 148 11 11 6IA C5' C 68.16 0.03 1 149 11 11 6IA C8 C 139.27 0.03 1 150 11 11 6IA H1' H 5.64 0.03 1 151 11 11 6IA H121 H 3.63 0.03 1 152 11 11 6IA H122 H 3.47 0.03 1 153 11 11 6IA H132 H 4.97 0.03 1 154 11 11 6IA H161 H 1.48 0.03 1 155 11 11 6IA H162 H 1.48 0.03 1 156 11 11 6IA H163 H 1.48 0.03 1 157 11 11 6IA H2 H 7.88 0.03 1 158 11 11 6IA H3' H 4.68 0.03 1 159 11 11 6IA H4' H 4.45 0.03 1 160 11 11 6IA H5' H 4.23 0.03 1 161 11 11 6IA H5'' H 4.11 0.03 1 162 11 11 6IA H8 H 7.82 0.03 1 163 11 11 6IA HO2' H 4.78 0.03 1 164 11 11 6IA N1 N 220.81 0.06 1 165 11 11 6IA N3 N 212.25 0.06 1 166 11 11 6IA N6 N 92.32 0.06 1 167 11 11 6IA N7 N 229.83 0.06 1 168 12 12 A H1' H 5.70 0.03 1 169 12 12 A H2 H 8.02 0.03 1 170 12 12 A H3' H 4.25 0.03 1 171 12 12 A H4' H 4.25 0.03 1 172 12 12 A H5' H 4.11 0.03 1 173 12 12 A H5'' H 4.02 0.03 1 174 12 12 A H8 H 7.71 0.03 1 175 12 12 A H62 H 6.46 0.03 1 176 12 12 A HO2' H 4.50 0.03 1 177 12 12 A C1' C 90.86 0.03 1 178 12 12 A C2 C 153.63 0.03 1 179 12 12 A C2' C 74.63 0.03 1 180 12 12 A C3' C 75.40 0.03 1 181 12 12 A C4' C 84.88 0.03 1 182 12 12 A C5' C 68.59 0.03 1 183 12 12 A C8 C 141.19 0.03 1 184 12 12 A N3 N 214.59 0.06 1 185 12 12 A N6 N 79.98 0.06 1 186 12 12 A N7 N 229.83 0.06 1 187 13 13 U H1' H 5.15 0.03 1 188 13 13 U H3' H 4.40 0.03 1 189 13 13 U H4' H 4.35 0.03 1 190 13 13 U H5 H 5.22 0.03 1 191 13 13 U H5' H 4.43 0.03 1 192 13 13 U H5'' H 4.04 0.03 1 193 13 13 U H6 H 7.62 0.03 1 194 13 13 U HO2' H 4.23 0.03 1 195 13 13 U C1' C 93.53 0.03 1 196 13 13 U C2' C 74.09 0.03 1 197 13 13 U C3' C 71.64 0.03 1 198 13 13 U C4' C 82.27 0.03 1 199 13 13 U C5' C 65.11 0.03 1 200 13 13 U C6 C 141.07 0.03 1 201 14 14 C H1' H 5.59 0.03 1 202 14 14 C H3' H 4.37 0.03 1 203 14 14 C H4' H 4.22 0.03 1 204 14 14 C H5 H 5.60 0.03 1 205 14 14 C H5' H 4.49 0.03 1 206 14 14 C H5'' H 4.03 0.03 1 207 14 14 C H6 H 8.00 0.03 1 208 14 14 C H41 H 8.40 0.03 1 209 14 14 C H42 H 7.01 0.03 1 210 14 14 C HO2' H 4.25 0.03 1 211 14 14 C C1' C 93.74 0.03 1 212 14 14 C C2' C 74.25 0.03 1 213 14 14 C C4' C 82.36 0.03 1 214 14 14 C C5 C 104.27 0.03 1 215 14 14 C C6 C 142.13 0.03 1 216 14 14 C N4 N 97.98 0.06 1 217 15 15 C H1' H 5.42 0.03 1 218 15 15 C H3' H 4.31 0.03 1 219 15 15 C H4' H 4.23 0.03 1 220 15 15 C H5 H 5.41 0.03 1 221 15 15 C H5' H 4.39 0.03 1 222 15 15 C H5'' H 4.27 0.03 1 223 15 15 C H6 H 7.82 0.03 1 224 15 15 C H41 H 8.34 0.03 1 225 15 15 C H42 H 6.86 0.03 1 226 15 15 C HO2' H 4.32 0.03 1 227 15 15 C C1' C 94.07 0.03 1 228 15 15 C C2' C 74.44 0.03 1 229 15 15 C C3' C 74.80 0.03 1 230 15 15 C C4' C 82.36 0.03 1 231 15 15 C C5 C 96.43 0.03 1 232 15 15 C C5' C 68.16 0.03 1 233 15 15 C C6 C 141.58 0.03 1 234 15 15 C N4 N 97.46 0.06 1 235 16 16 C H1' H 5.44 0.03 1 236 16 16 C H3' H 4.35 0.03 1 237 16 16 C H4' H 4.23 0.03 1 238 16 16 C H5 H 5.41 0.03 1 239 16 16 C H5' H 4.01 0.03 1 240 16 16 C H5'' H 3.98 0.03 1 241 16 16 C H6 H 7.81 0.03 1 242 16 16 C H41 H 8.36 0.03 1 243 16 16 C H42 H 6.86 0.03 1 244 16 16 C HO2' H 4.23 0.03 1 245 16 16 C C1' C 94.29 0.03 1 246 16 16 C C2' C 74.44 0.03 1 247 16 16 C C3' C 71.27 0.03 1 248 16 16 C C5 C 96.43 0.03 1 249 16 16 C C6 C 141.58 0.03 1 250 16 16 C N4 N 97.60 0.06 1 251 17 17 C H1' H 5.67 0.03 1 252 17 17 C H3' H 4.38 0.03 1 253 17 17 C H4' H 4.54 0.03 1 254 17 17 C H5 H 5.43 0.03 1 255 17 17 C H5' H 4.43 0.03 1 256 17 17 C H5'' H 3.98 0.03 1 257 17 17 C H6 H 7.66 0.03 1 258 17 17 C H41 H 8.02 0.03 1 259 17 17 C H42 H 6.96 0.03 1 260 17 17 C HO2' H 3.96 0.03 1 261 17 17 C C1' C 93.04 0.03 1 262 17 17 C C2' C 76.58 0.03 1 263 17 17 C C3' C 69.40 0.03 1 264 17 17 C C4' C 83.30 0.03 1 265 17 17 C C5 C 95.87 0.03 1 266 17 17 C C5' C 66.15 0.03 1 267 17 17 C C6 C 141.71 0.03 1 268 17 17 C N4 N 96.57 0.06 1 stop_ save_