data_5703 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SP phosphorothioate U6 RNA ISL ; _BMRB_accession_number 5703 _BMRB_flat_file_name bmr5703.str _Entry_type original _Submission_date 2003-02-17 _Accession_date 2003-02-18 _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 Reiter Nicholas J. . 2 Butcher Samuel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 204 "13C chemical shifts" 66 "31P chemical shifts" 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-07 original author . stop_ _Original_release_date 2003-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the U6 RNA Intramolecular Stem-loop Harboring an SP-phosphorothioate Modification ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22588902 _PubMed_ID 12702812 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reiter Nicholas J. . 2 Nikstad Laura J. . 3 Allmann Anne M. . 4 Johnson Randal J. . 5 Butcher Samuel E. . stop_ _Journal_abbreviation RNA _Journal_volume 9 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 533 _Page_last 542 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system_U6_snRNA _Saveframe_category molecular_system _Mol_system_name 'U6 snRNA intramolecular stem loop' _Abbreviation_common 'U6 snRNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'U6 snRNA' $U6_snRNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'involved in the pre-mRNA splicing reaction' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_U6_snRNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'U6 snRNA' _Abbreviation_common 'U6 snRNA' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; GGUUCCCCUGCAUAAGGAXG AACC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 U 4 U 5 C 6 C 7 C 8 C 9 U 10 G 11 C 12 A 13 U 14 A 15 A 16 G 17 G 18 A 19 SSU 20 G 21 A 22 A 23 C 24 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_SSU _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common URIDINE-5'-PHOSPHOROTHIOATE _BMRB_code . _PDB_code SSU _Standard_residue_derivative . _Molecular_mass 340.247 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 11:58:02 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O2' O2' O . 0 . ? C2' C2' C . 0 . ? C1' C1' C . 0 . ? O4' O4' O . 0 . ? C4' C4' C . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? S1P S1P S . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? N1 N1 N . 0 . ? C6 C6 C . 0 . ? C5 C5 C . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? N3 N3 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? HO2' HO2' H . 0 . ? H2' H2' H . 0 . ? H1' H1' H . 0 . ? H4' H4' H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H2P H2P H . 0 . ? H3P H3P H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H6 H6 H . 0 . ? H5 H5 H . 0 . ? H3 H3 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 O2' C2' ? ? SING O2' HO2' ? ? SING C2' C1' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING C1' O4' ? ? SING C1' N1 ? ? SING C1' H1' ? ? SING O4' C4' ? ? SING C4' C5' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING C5' O5' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING O5' P ? ? DOUB P S1P ? ? SING P OP2 ? ? SING P OP3 ? ? SING OP2 H2P ? ? SING OP3 H3P ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING N1 C6 ? ? SING N1 C2 ? ? DOUB C6 C5 ? ? SING C6 H6 ? ? SING C5 C4 ? ? SING C5 H5 ? ? DOUB C4 O4 ? ? SING C4 N3 ? ? SING N3 C2 ? ? SING N3 H3 ? ? DOUB C2 O2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $U6_snRNA 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $U6_snRNA 'chemical synthesis' . . . . . ; The U80 SP phosphorothioate U6 ISL RNA was chemically synthesized and purchased from Dharmacon, Inc. HPLC reverse-phase chromatography was performed for the separation of the SP and RP phosphorothioate diastereomers. ; 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 $U6_snRNA 1 mM 0.8 1.2 . NaCl 50 mM . . . H2O 90 % . . . D2O 10 % . . . 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 $U6_snRNA 1 mM 0.8 1.2 . NaCl 50 mM . . . D2O 100 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $U6_snRNA 1 mM 0.8 0.9 . NaCl 50 mM . . . D2O 100 % . . . 'Pf1 phage' 17 mg/mL . . . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 _Details 'Goddard, T. D.' save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 2.6 _Details 'Kneller, D. G.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 400 _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.01 M pH 7.0 0.1 pH temperature 283 0.5 K stop_ save_ save_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.01 M pH 7.0 0.1 pH temperature 303 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; 0.1 mM 3-(Trimethylsilyl)-1-propane sulfonic aicd (TSP) serves as an internal reference for protons and indirectly referenced for carbon and phosphorus using a chemical shift ratio. ; 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 protons' ppm 0 . . indirect . . 0.251449530 $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0 internal indirect cylindrical internal parallel 1.0 $entry_citation $entry_citation TSP N 15 'methyl protons' ppm 0 . . indirect . . 0.101329118 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0 external indirect . . . 0.404808636 $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 'U6 snRNA' _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 12.852 0.014 1 2 . 1 G H8 H 8.089 0.001 1 3 . 1 G C8 C 138.1 0.020 1 4 . 1 G H1' H 5.824 0.001 1 5 . 1 G H2' H 4.967 0.013 1 6 . 1 G H3' H 4.750 0.001 1 7 . 1 G H4' H 4.53 0.001 1 8 . 1 G C1' C 91.62 0.022 1 9 . 2 G H1 H 13.45 0.010 1 10 . 2 G H21 H 8.59 0.009 1 11 . 2 G H22 H 6.19 0.009 1 12 . 2 G H8 H 7.540 0.001 1 13 . 2 G C8 C 136.3 0.020 1 14 . 2 G H1' H 5.905 0.001 1 15 . 2 G H2' H 4.560 0.001 1 16 . 2 G H3' H 5.540 0.005 1 17 . 2 G H4' H 4.560 0.004 1 18 . 2 G H5' H 4.510 0.007 1 19 . 2 G H5'' H 4.230 0.005 1 20 . 2 G C1' C 92.20 0.030 1 21 . 3 U H3 H 14.43 0.015 1 22 . 3 U H5 H 5.130 0.001 1 23 . 3 U H6 H 7.808 0.001 1 24 . 3 U C5 C 102.1 0.040 1 25 . 3 U C6 C 140.8 0.030 1 26 . 3 U H1' H 5.955 0.001 1 27 . 3 U H2' H 4.502 0.001 1 28 . 3 U H3' H 4.540 0.020 1 29 . 3 U H4' H 4.450 0.005 1 30 . 3 U H5' H 4.59 0.004 1 31 . 3 U H5'' H 4.15 0.015 1 32 . 3 U C1' C 93.00 0.050 1 33 . 4 U H3 H 13.79 0.010 1 34 . 4 U H5 H 5.63 0.001 1 35 . 4 U H6 H 8.03 0.001 1 36 . 4 U C5 C 102.60 0.020 1 37 . 4 U C6 C 141.61 0.030 1 38 . 4 U H1' H 5.682 0.001 1 39 . 4 U H2' H 4.531 0.001 1 40 . 4 U H3' H 4.526 0.001 1 41 . 4 U H4' H 4.507 0.001 1 42 . 4 U H5' H 4.554 0.003 1 43 . 4 U H5'' H 4.141 0.003 1 44 . 4 U C1' C 92.97 0.020 1 45 . 5 C H41 H 8.44 0.010 1 46 . 5 C H42 H 7.13 0.010 1 47 . 5 C H5 H 5.658 0.005 1 48 . 5 C H6 H 7.746 0.003 1 49 . 5 C C5 C 97.20 0.020 1 50 . 5 C C6 C 140.92 0.020 1 51 . 5 C H1' H 5.467 0.001 1 52 . 5 C H2' H 4.411 0.010 1 53 . 5 C H3' H 4.47 0.001 1 54 . 5 C H4' H 4.46 0.001 1 55 . 5 C H5' H 4.55 0.015 1 56 . 5 C H5'' H 4.12 0.010 1 57 . 5 C C1' C 93.26 0.030 1 58 . 6 C H5 H 5.784 0.005 1 59 . 6 C H6 H 7.987 0.004 1 60 . 6 C C5 C 96.87 0.020 1 61 . 6 C C6 C 141.61 0.020 1 62 . 6 C H1' H 5.545 0.003 1 63 . 6 C H2' H 4.023 0.003 1 64 . 6 C H3' H 4.58 0.003 1 65 . 6 C H4' H 4.34 0.001 1 66 . 6 C H5' H 4.55 0.003 1 67 . 6 C C1' C 93.13 0.030 1 68 . 7 C H41 H 8.45 0.010 1 69 . 7 C H42 H 7.16 0.010 1 70 . 7 C H5 H 5.647 0.003 1 71 . 7 C H6 H 7.929 0.001 1 72 . 7 C C5 C 96.80 0.030 1 73 . 7 C C6 C 140.91 0.020 1 74 . 7 C H1' H 5.468 0.002 1 75 . 7 C H2' H 4.214 0.001 1 76 . 7 C H3' H 4.480 0.002 1 77 . 7 C H4' H 4.392 0.005 1 78 . 7 C H5' H 4.450 0.003 1 79 . 7 C C1' C 93.03 0.040 1 80 . 8 C H41 H 8.40 0.010 1 81 . 8 C H42 H 6.98 0.010 1 82 . 8 C H5 H 5.468 0.003 1 83 . 8 C H6 H 7.738 0.002 1 84 . 8 C C5 C 97.18 0.020 1 85 . 8 C C6 C 140.74 0.020 1 86 . 8 C H1' H 5.385 0.003 1 87 . 8 C H2' H 4.244 0.002 1 88 . 8 C H3' H 4.315 0.005 1 89 . 8 C H4' H 4.350 0.007 1 90 . 8 C H5' H 4.480 0.003 1 91 . 8 C H5'' H 4.0 0.010 1 92 . 8 C C1' C 93.3 0.020 1 93 . 9 U H5 H 5.213 0.003 1 94 . 9 U H6 H 7.596 0.004 1 95 . 9 U C5 C 103.30 0.020 1 96 . 9 U C6 C 140.183 0.020 1 97 . 9 U H1' H 5.605 0.003 1 98 . 9 U H2' H 4.45 0.004 1 99 . 9 U H3' H 4.350 0.004 1 100 . 9 U H4' H 4.45 0.005 1 101 . 9 U H5' H 4.490 0.005 1 102 . 9 U C1' C 92.78 0.020 1 103 . 10 G H1 H 10.88 0.010 1 104 . 10 G H21 H 8.16 0.004 1 105 . 10 G H22 H 7.13 0.005 1 106 . 10 G H8 H 7.735 0.007 1 107 . 10 G C8 C 136.33 0.020 1 108 . 10 G H1' H 5.603 0.003 1 109 . 10 G H2' H 4.471 0.002 1 110 . 10 G H3' H 4.528 0.003 1 111 . 10 G H4' H 4.379 0.005 1 112 . 10 G H5' H 4.331 0.007 1 113 . 10 G C1' C 91.53 0.020 1 114 . 11 C H5 H 5.585 0.001 1 115 . 11 C H6 H 7.52 0.003 1 116 . 11 C C5 C 97.46 0.005 1 117 . 11 C C6 C 141.81 0.007 1 118 . 11 C H1' H 5.322 0.005 1 119 . 11 C H2' H 3.936 0.003 1 120 . 11 C H3' H 4.25 0.004 1 121 . 11 C H4' H 3.87 0.006 1 122 . 11 C H5' H 4.05 0.005 1 123 . 11 C C1' C 91.423 0.020 1 124 . 12 A H2 H 7.99 0.004 1 125 . 12 A H61 H 7.91 0.010 1 126 . 12 A H62 H 6.63 0.010 1 127 . 12 A H8 H 8.161 0.011 1 128 . 12 A C2 C 154.37 0.040 1 129 . 12 A C8 C 141.20 0.020 1 130 . 12 A H1' H 5.922 0.006 1 131 . 12 A H2' H 4.637 0.004 1 132 . 12 A H3' H 4.701 0.004 1 133 . 12 A H4' H 4.40 0.003 1 134 . 12 A H5' H 4.070 0.006 1 135 . 12 A C1' C 88.85 0.020 1 136 . 13 U H5 H 5.84 0.005 1 137 . 13 U H6 H 7.788 0.003 1 138 . 13 U C5 C 104.52 0.020 1 139 . 13 U C6 C 143.062 0.020 1 140 . 13 U H1' H 5.904 0.004 1 141 . 13 U H2' H 4.43 0.002 1 142 . 13 U H3' H 4.70 0.005 1 143 . 13 U H4' H 4.45 0.003 1 144 . 13 U H5' H 4.221 0.006 1 145 . 13 U C1' C 90.10 0.020 1 146 . 14 A H2 H 8.076 0.005 1 147 . 14 A H61 H 8.44 0.004 1 148 . 14 A H62 H 6.84 0.003 1 149 . 14 A H8 H 7.99 0.002 1 150 . 14 A C2 C 154.50 0.020 1 151 . 14 A C8 C 139.50 0.020 1 152 . 14 A H1' H 5.884 0.003 1 153 . 14 A H2' H 4.884 0.005 1 154 . 14 A H3' H 4.590 0.004 1 155 . 14 A H4' H 4.620 0.004 1 156 . 14 A H5' H 4.360 0.005 1 157 . 14 A C1' C 90.47 0.004 1 158 . 15 A H2 H 7.59 0.002 1 159 . 15 A H61 H 7.76 0.004 1 160 . 15 A H62 H 6.63 0.007 1 161 . 15 A H8 H 7.97 0.005 1 162 . 15 A C2 C 152.56 0.020 1 163 . 15 A C8 C 140.65 0.020 1 164 . 15 A H1' H 5.323 0.003 1 165 . 15 A H2' H 4.646 0.004 1 166 . 15 A H3' H 4.475 0.003 1 167 . 15 A H4' H 4.471 0.002 1 168 . 15 A H5' H 4.371 0.004 1 169 . 15 A C1' C 91.65 0.020 1 170 . 16 G H1 H 12.75 0.010 1 171 . 16 G H21 H 8.2 0.010 1 172 . 16 G H22 H 5.94 0.009 1 173 . 16 G H8 H 7.10 0.005 1 174 . 16 G C8 C 135.21 0.030 1 175 . 16 G H1' H 5.597 0.004 1 176 . 16 G H2' H 4.582 0.006 1 177 . 16 G H3' H 4.506 0.003 1 178 . 16 G H4' H 4.400 0.013 1 179 . 16 G H5' H 4.367 0.008 1 180 . 16 G C1' C 92.00 0.040 1 181 . 17 G H1 H 12.67 0.010 1 182 . 17 G H21 H 8.44 0.010 1 183 . 17 G H22 H 6.7 0.010 1 184 . 17 G H8 H 7.151 0.009 1 185 . 17 G C8 C 135.65 0.030 1 186 . 17 G H1' H 5.717 0.003 1 187 . 17 G H2' H 4.480 0.005 1 188 . 17 G H3' H 4.512 0.003 1 189 . 17 G H4' H 4.110 0.004 1 190 . 17 G H5' H 4.480 0.006 1 191 . 17 G C1' C 92.04 0.020 1 192 . 18 A H2 H 7.796 0.007 1 193 . 18 A H8 H 7.934 0.005 1 194 . 18 A C2 C 153.25 0.030 1 195 . 18 A C8 C 139.4 0.020 1 196 . 18 A H1' H 6.050 0.005 1 197 . 18 A H2' H 4.519 0.003 1 198 . 18 A H3' H 4.839 0.001 1 199 . 18 A H4' H 4.470 0.003 1 200 . 18 A H5' H 4.402 0.004 1 201 . 18 A C1' C 90.96 0.030 1 202 . 19 SSU H5 H 5.639 0.003 1 203 . 19 SSU H6 H 7.781 0.002 1 204 . 19 SSU C5 C 102.9 0.030 1 205 . 19 SSU C6 C 140.80 0.020 1 206 . 19 SSU H1' H 5.639 0.003 1 207 . 19 SSU H2' H 4.302 0.006 1 208 . 19 SSU H3' H 4.39 0.005 1 209 . 19 SSU H4' H 4.35 0.008 1 210 . 19 SSU C1' C 91.81 0.030 1 211 . 19 SSU P P 59.15 0.020 1 212 . 20 G H1 H 12.53 0.010 1 213 . 20 G H21 H 7.913 0.012 1 214 . 20 G H22 H 5.927 0.008 1 215 . 20 G H8 H 7.555 0.007 1 216 . 20 G C8 C 136.55 0.030 1 217 . 20 G H1' H 5.719 0.006 1 218 . 20 G H2' H 4.77 0.003 1 219 . 20 G H3' H 4.609 0.005 1 220 . 20 G H4' H 4.451 0.010 1 221 . 20 G C1' C 90.17 0.020 1 222 . 21 A H2 H 7.147 0.005 1 223 . 21 A H61 H 8.06 0.001 1 224 . 21 A H62 H 6.58 0.003 1 225 . 21 A H8 H 7.858 0.002 1 226 . 21 A C2 C 153.17 0.030 1 227 . 21 A C8 C 139.4 0.025 1 228 . 21 A H1' H 5.943 0.002 1 229 . 21 A H2' H 4.640 0.003 1 230 . 21 A H3' H 4.596 0.005 1 231 . 21 A H4' H 5.29 0.003 1 232 . 21 A H5' H 4.480 0.007 1 233 . 21 A H5'' H 4.315 0.006 1 234 . 21 A C1' C 92.30 0.030 1 235 . 22 A H2 H 7.806 0.004 1 236 . 22 A H61 H 8.31 0.010 1 237 . 22 A H62 H 6.73 0.010 1 238 . 22 A H8 H 7.815 0.003 1 239 . 22 A C2 C 153.20 0.050 1 240 . 22 A C8 C 138.3 0.050 1 241 . 22 A H1' H 5.943 0.003 1 242 . 22 A H2' H 4.501 0.006 1 243 . 22 A H3' H 4.603 0.005 1 244 . 22 A H4' H 4.599 0.004 1 245 . 22 A H5' H 4.602 0.007 1 246 . 22 A H5'' H 4.135 0.004 1 247 . 22 A C1' C 92.20 0.020 1 248 . 23 C H41 H 8.39 0.010 1 249 . 23 C H42 H 7.05 0.012 1 250 . 23 C H5 H 5.165 0.004 1 251 . 23 C H6 H 7.436 0.006 1 252 . 23 C C5 C 96.30 0.030 1 253 . 23 C C6 C 139.93 0.040 1 254 . 23 C H1' H 5.385 0.004 1 255 . 23 C H2' H 4.118 0.003 1 256 . 23 C H3' H 4.357 0.003 1 257 . 23 C H4' H 4.480 0.004 1 258 . 23 C H5' H 4.045 0.009 1 259 . 23 C H5'' H 4.012 0.010 1 260 . 23 C C1' C 93.20 0.040 1 261 . 24 C H41 H 8.44 0.009 1 262 . 24 C H42 H 6.97 0.011 1 263 . 24 C H5 H 5.437 0.003 1 264 . 24 C H6 H 7.635 0.002 1 265 . 24 C C5 C 97.46 0.030 1 266 . 24 C C6 C 141.07 0.020 1 267 . 24 C H1' H 5.75 0.008 1 268 . 24 C H2' H 4.147 0.007 1 269 . 24 C H3' H 4.170 0.010 1 270 . 24 C H4' H 4.153 0.009 1 271 . 24 C C1' C 91.98 0.030 1 stop_ save_