data_6543 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIV-1 frameshift inducing element RNA ; _BMRB_accession_number 6543 _BMRB_flat_file_name bmr6543.str _Entry_type original _Submission_date 2005-03-10 _Accession_date 2005-03-11 _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 Staple David W. . 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" 308 "13C chemical shifts" 91 "15N chemical shifts" 24 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-06 original author . stop_ _Original_release_date 2006-11-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Soultion structure and thermodynamic investigation of the HIV-1 frameshift inducing element' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15927637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Staple David W. . 2 Butcher Samuel E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 349 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1011 _Page_last 1023 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-1 frameshift inducing RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 frameshift inducing RNA' $HIV-1_frameshift_inducing_RNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'single stranded RNA' _System_paramagnetic no _System_thiol_state 'not available' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_frameshift_inducing_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'HIV-1 frameshift induciting element RNA' _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'ribosomal frameshift induction' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; GGGAAGAUCUGGCCUUCCCA CAAGGGAAGGCCAGGGAAUC UUCCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 A 6 G 7 A 8 U 9 C 10 U 11 G 12 G 13 C 14 C 15 U 16 U 17 C 18 C 19 C 20 A 21 C 22 A 23 A 24 G 25 G 26 G 27 A 28 A 29 G 30 G 31 C 32 C 33 A 34 G 35 G 36 G 37 A 38 A 39 U 40 C 41 U 42 U 43 C 44 C 45 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 $HIV-1_frameshift_inducing_RNA HIV 11676 Viruses 'Not applicable' HIV HIV 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 $HIV-1_frameshift_inducing_RNA 'in vitro transcription' . . . . . 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 $HIV-1_frameshift_inducing_RNA 1 mM '[U-13C; U-15N]-A,U' NaCl 50 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_frameshift_inducing_RNA 1 mM '[U-13C; U-15N]-G,C' NaCl 50 mM . D2O 100 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_900MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_2D_1H-15N_HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _Sample_label . save_ save_2D_HNN_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNN COSY' _Sample_label . save_ save_3D_HCCH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label . save_ save_3D_HCCH_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _Sample_label . save_ save_3D_NOESY-HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY-HMQC' _Sample_label . save_ save_Filter/Edit_2D_1H-1H_NOEY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'Filter/Edit 2D 1H-1H NOEY' _Sample_label . save_ save_1H15C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15C_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH pressure 1 0.1 atm temperature 303 0.1 K stop_ save_ save_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH pressure 1 0.1 atm temperature 283 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'HIV-1 frameshift inducing RNA' _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 12.457 0.011 . 2 1 1 G H8 H 8.071 0.024 . 3 1 1 G H1' H 5.771 0.001 . 4 1 1 G H2' H 4.856 0.000 . 5 1 1 G H3' H 4.641 0.000 . 6 1 1 G H4' H 4.493 0.000 . 7 1 1 G H5' H 4.369 0.000 . 8 1 1 G H5'' H 4.206 0.004 . 9 1 1 G C8 C 139.297 0.000 . 10 1 1 G N1 N 144.825 0.000 . 11 2 2 G H1 H 12.611 0.005 . 12 2 2 G H8 H 7.461 0.004 . 13 2 2 G H1' H 5.873 0.000 . 14 2 2 G H2' H 4.486 0.000 . 15 2 2 G H3' H 4.641 0.000 . 16 2 2 G H4' H 4.428 0.000 . 17 2 2 G H5' H 4.416 0.000 . 18 2 2 G H5'' H 4.215 0.000 . 19 2 2 G C8 C 136.786 0.000 . 20 2 2 G N1 N 144.718 0.000 . 21 3 3 G H1 H 12.165 0.006 . 22 3 3 G H8 H 7.104 0.009 . 23 3 3 G H1' H 5.711 0.001 . 24 3 3 G H2' H 4.565 0.000 . 25 3 3 G H3' H 4.640 0.000 . 26 3 3 G H4' H 4.430 0.000 . 27 3 3 G H21 H 7.911 0.000 . 28 3 3 G H22 H 5.728 0.000 . 29 3 3 G C8 C 136.926 0.000 . 30 3 3 G N1 N 144.711 0.000 . 31 4 4 A H2 H 7.067 0.010 . 32 4 4 A H8 H 7.559 0.008 . 33 4 4 A H1' H 5.848 0.002 . 34 4 4 A H2' H 4.580 0.001 . 35 4 4 A H3' H 4.464 0.000 . 36 4 4 A H4' H 4.433 0.000 . 37 4 4 A H5' H 4.042 0.000 . 38 4 4 A H61 H 7.748 0.000 . 39 4 4 A H62 H 6.596 0.000 . 40 4 4 A C2 C 152.812 0.000 . 41 4 4 A C8 C 139.013 0.000 . 42 4 4 A C1' C 90.380 0.000 . 43 5 5 A H2 H 7.387 0.005 . 44 5 5 A H8 H 7.541 0.005 . 45 5 5 A H1' H 5.797 0.003 . 46 5 5 A H2' H 4.583 0.001 . 47 5 5 A H3' H 4.460 0.000 . 48 5 5 A H4' H 4.414 0.000 . 49 5 5 A H5' H 4.030 0.000 . 50 5 5 A C2 C 153.019 0.000 . 51 5 5 A C8 C 139.000 0.000 . 52 5 5 A C1' C 92.650 0.000 . 53 6 6 G H1 H 12.638 0.006 . 54 6 6 G H8 H 6.950 0.002 . 55 6 6 G H1' H 5.444 0.001 . 56 6 6 G H2' H 4.436 0.002 . 57 6 6 G H21 H 7.972 0.000 . 58 6 6 G H22 H 6.012 0.000 . 59 6 6 G C8 C 135.839 0.000 . 60 6 6 G N1 N 144.744 0.000 . 61 7 7 A H2 H 7.846 0.008 . 62 7 7 A H8 H 7.672 0.005 . 63 7 7 A H1' H 5.930 0.001 . 64 7 7 A H2' H 4.352 0.000 . 65 7 7 A H3' H 4.559 0.000 . 66 7 7 A H4' H 4.467 0.053 . 67 7 7 A H5'' H 4.049 0.000 . 68 7 7 A C2 C 154.686 0.000 . 69 7 7 A C8 C 139.258 0.000 . 70 7 7 A C1' C 93.063 0.000 . 71 8 8 U H5 H 5.172 0.003 . 72 8 8 U H6 H 7.461 0.006 . 73 8 8 U H1' H 5.746 0.005 . 74 8 8 U H2' H 4.229 0.001 . 75 8 8 U H3' H 4.561 0.001 . 76 8 8 U H4' H 4.367 0.002 . 77 8 8 U H5' H 4.043 0.002 . 78 8 8 U C5 C 103.852 0.000 . 79 8 8 U C6 C 141.653 0.000 . 80 8 8 U C1' C 90.249 0.000 . 81 9 9 C H5 H 5.901 0.000 . 82 9 9 C H6 H 7.856 0.003 . 83 9 9 C H1' H 5.438 0.001 . 84 9 9 C H2' H 4.424 0.004 . 85 9 9 C H42 H 6.950 0.000 . 86 9 9 C C5 C 98.484 0.000 . 87 9 9 C C6 C 142.597 0.000 . 88 9 9 C N3 N 165.100 0.000 . 89 10 10 U H3 H 13.277 0.004 . 90 10 10 U H5 H 5.387 0.008 . 91 10 10 U H6 H 7.812 0.002 . 92 10 10 U H1' H 5.411 0.003 . 93 10 10 U H2' H 4.545 0.001 . 94 10 10 U H4' H 4.322 0.000 . 95 10 10 U H5' H 4.085 0.002 . 96 10 10 U H5'' H 4.451 0.000 . 97 10 10 U C5 C 103.526 0.000 . 98 10 10 U C6 C 141.994 0.000 . 99 10 10 U C1' C 93.598 0.000 . 100 11 11 G H1 H 11.999 0.005 . 101 11 11 G H8 H 7.627 0.001 . 102 11 11 G H1' H 5.685 0.001 . 103 11 11 G H2' H 4.519 0.002 . 104 11 11 G H21 H 7.675 0.000 . 105 11 11 G H22 H 5.609 0.000 . 106 11 11 G C8 C 136.397 0.000 . 107 11 11 G N1 N 144.419 0.000 . 108 12 12 G H1 H 13.229 0.006 . 109 12 12 G H8 H 7.244 0.002 . 110 12 12 G H1' H 5.597 0.000 . 111 12 12 G H2' H 4.384 0.000 . 112 12 12 G H4' H 4.344 0.000 . 113 12 12 G H5'' H 4.009 0.002 . 114 12 12 G H21 H 8.334 0.000 . 115 12 12 G H22 H 5.431 0.000 . 116 12 12 G C8 C 136.012 0.000 . 117 12 12 G N1 N 145.241 0.000 . 118 13 13 C H5 H 5.126 0.005 . 119 13 13 C H6 H 7.524 0.001 . 120 13 13 C H1' H 5.434 0.001 . 121 13 13 C H2' H 4.335 0.000 . 122 13 13 C H41 H 8.544 0.000 . 123 13 13 C H42 H 6.836 0.000 . 124 13 13 C C5 C 97.406 0.000 . 125 13 13 C C6 C 140.735 0.000 . 126 13 13 C N3 N 165.018 0.000 . 127 14 14 C H5 H 5.473 0.002 . 128 14 14 C H6 H 7.669 0.004 . 129 14 14 C H1' H 5.439 0.001 . 130 14 14 C H2' H 4.366 0.000 . 131 14 14 C H41 H 8.494 0.000 . 132 14 14 C H42 H 6.876 0.000 . 133 14 14 C C5 C 97.872 0.000 . 134 14 14 C C6 C 141.309 0.000 . 135 14 14 C N3 N 164.772 0.000 . 136 15 15 U H5 H 5.360 0.004 . 137 15 15 U H6 H 7.867 0.005 . 138 15 15 U H1' H 5.469 0.003 . 139 15 15 U H2' H 4.368 0.001 . 140 15 15 U C5 C 103.108 0.000 . 141 15 15 U C6 C 142.189 0.000 . 142 15 15 U C1' C 93.978 0.000 . 143 15 15 U H3 H 13.868 0.004 . 144 16 16 U H3 H 13.709 0.005 . 145 16 16 U H5 H 5.532 0.003 . 146 16 16 U H6 H 8.015 0.003 . 147 16 16 U H1' H 5.581 0.000 . 148 16 16 U H2' H 4.405 0.008 . 149 16 16 U C5 C 102.948 0.000 . 150 16 16 U C6 C 142.688 0.000 . 151 16 16 U C1' C 93.739 0.000 . 152 17 17 C H5 H 5.545 0.001 . 153 17 17 C H6 H 7.834 0.002 . 154 17 17 C H1' H 5.445 0.000 . 155 17 17 C H2' H 4.178 0.000 . 156 17 17 C H41 H 8.250 0.000 . 157 17 17 C H42 H 6.902 0.000 . 158 17 17 C C5 C 97.163 0.000 . 159 17 17 C C6 C 141.799 0.000 . 160 17 17 C N3 N 165.181 0.000 . 161 18 18 C H5 H 5.306 0.005 . 162 18 18 C H6 H 7.689 0.003 . 163 18 18 C H1' H 5.336 0.001 . 164 18 18 C H2' H 4.256 0.000 . 165 18 18 C H3' H 4.397 0.003 . 166 18 18 C H4' H 4.299 0.002 . 167 18 18 C H5' H 4.494 0.005 . 168 18 18 C H5'' H 3.988 0.002 . 169 18 18 C H41 H 8.262 0.000 . 170 18 18 C H42 H 6.732 0.000 . 171 18 18 C C5 C 97.330 0.000 . 172 18 18 C C6 C 141.363 0.000 . 173 18 18 C N3 N 164.747 0.000 . 174 19 19 C H5 H 5.116 0.004 . 175 19 19 C H6 H 7.470 0.002 . 176 19 19 C H1' H 5.380 0.003 . 177 19 19 C H2' H 4.564 0.001 . 178 19 19 C H3' H 4.335 0.002 . 179 19 19 C H4' H 4.315 0.000 . 180 19 19 C H42 H 6.618 0.000 . 181 19 19 C C5 C 96.973 0.000 . 182 19 19 C C6 C 142.949 0.000 . 183 19 19 C N3 N 164.113 0.000 . 184 20 20 A H2 H 7.563 0.000 . 185 20 20 A H8 H 8.014 0.004 . 186 20 20 A H1' H 5.670 0.004 . 187 20 20 A H2' H 4.372 0.001 . 188 20 20 A H3' H 4.564 0.000 . 189 20 20 A C2 C 154.190 0.000 . 190 20 20 A C8 C 139.869 0.000 . 191 20 20 A C1' C 93.391 0.000 . 192 21 21 C H5 H 5.412 0.001 . 193 21 21 C H6 H 7.426 0.001 . 194 21 21 C H1' H 5.582 0.001 . 195 21 21 C H2' H 3.975 0.003 . 196 21 21 C H3' H 4.270 0.001 . 197 21 21 C H4' H 3.613 0.001 . 198 21 21 C H5'' H 3.758 0.003 . 199 22 22 A H2 H 7.959 0.012 . 200 22 22 A H8 H 8.075 0.004 . 201 22 22 A H1' H 5.764 0.003 . 202 22 22 A H2' H 4.519 0.002 . 203 22 22 A H3' H 4.639 0.000 . 204 22 22 A H4' H 4.315 0.002 . 205 22 22 A H5'' H 3.779 0.001 . 206 22 22 A C2 C 154.808 0.000 . 207 22 22 A C8 C 141.629 0.000 . 208 22 22 A C1' C 90.094 0.000 . 209 23 23 A H2 H 8.039 0.007 . 210 23 23 A H8 H 8.320 0.000 . 211 23 23 A H1' H 6.054 0.001 . 212 23 23 A H2' H 4.766 0.000 . 213 23 23 A H3' H 4.900 0.001 . 214 23 23 A H4' H 4.543 0.000 . 215 23 23 A H5' H 4.289 0.001 . 216 23 23 A C2 C 155.124 0.000 . 217 23 23 A C8 C 141.966 0.000 . 218 23 23 A C1' C 90.608 0.000 . 219 24 24 G H1 H 12.033 0.006 . 220 24 24 G H8 H 7.647 0.012 . 221 24 24 G H1' H 5.009 0.052 . 222 24 24 G H2' H 4.526 0.001 . 223 24 24 G H3' H 4.237 0.000 . 224 24 24 G H4' H 4.432 0.002 . 225 24 24 G H21 H 7.711 0.000 . 226 24 24 G H22 H 5.738 0.000 . 227 24 24 G C8 C 137.423 0.000 . 228 24 24 G C1' C 92.511 0.000 . 229 24 24 G N1 N 144.522 0.000 . 230 25 25 G H1 H 12.346 0.006 . 231 25 25 G H8 H 7.155 0.006 . 232 25 25 G H1' H 5.739 0.003 . 233 25 25 G H2' H 4.397 0.000 . 234 25 25 G H3' H 4.528 0.000 . 235 25 25 G H4' H 4.570 0.000 . 236 25 25 G H5'' H 4.011 0.000 . 237 25 25 G H21 H 8.228 0.000 . 238 25 25 G H22 H 5.851 0.000 . 239 25 25 G C8 C 136.127 0.000 . 240 25 25 G N1 N 144.752 0.000 . 241 26 26 G H1 H 12.109 0.005 . 242 26 26 G H8 H 7.044 0.003 . 243 26 26 G H1' H 5.679 0.001 . 244 26 26 G H2' H 4.535 0.001 . 245 26 26 G H21 H 7.863 0.000 . 246 26 26 G C8 C 136.039 0.000 . 247 26 26 G N1 N 144.694 0.000 . 248 27 27 A H2 H 7.045 0.005 . 249 27 27 A H8 H 7.556 0.006 . 250 27 27 A H1' H 5.833 0.003 . 251 27 27 A H2' H 4.551 0.000 . 252 27 27 A H3' H 4.474 0.000 . 253 27 27 A H4' H 4.431 0.000 . 254 27 27 A H5' H 4.038 0.000 . 255 27 27 A H61 H 7.742 0.000 . 256 27 27 A H62 H 6.589 0.000 . 257 27 27 A C2 C 152.827 0.000 . 258 27 27 A C8 C 138.903 0.000 . 259 27 27 A C1' C 93.128 0.000 . 260 28 28 A H2 H 7.399 0.005 . 261 28 28 A H8 H 7.557 0.004 . 262 28 28 A H1' H 5.808 0.007 . 263 28 28 A H2' H 4.556 0.000 . 264 28 28 A H3' H 4.475 0.000 . 265 28 28 A H4' H 4.414 0.000 . 266 28 28 A H5' H 4.038 0.000 . 267 28 28 A H61 H 7.856 0.000 . 268 28 28 A H62 H 6.565 0.000 . 269 28 28 A C2 C 153.007 0.000 . 270 28 28 A C8 C 139.146 0.000 . 271 28 28 A C1' C 92.825 0.000 . 272 29 29 G H1 H 12.865 0.005 . 273 29 29 G H8 H 6.965 0.008 . 274 29 29 G H1' H 5.499 0.000 . 275 29 29 G H2' H 4.454 0.000 . 276 29 29 G H3' H 4.322 0.001 . 277 29 29 G H4' H 4.383 0.000 . 278 29 29 G H5'' H 3.969 0.000 . 279 29 29 G H21 H 8.309 0.000 . 280 29 29 G H22 H 6.015 0.000 . 281 29 29 G C8 C 135.647 0.000 . 282 29 29 G N1 N 144.765 0.000 . 283 30 30 G H1 H 13.261 0.005 . 284 30 30 G H8 H 7.165 0.001 . 285 30 30 G H1' H 5.676 0.001 . 286 30 30 G H2' H 4.443 0.000 . 287 30 30 G H21 H 8.333 0.000 . 288 30 30 G H22 H 5.446 0.000 . 289 30 30 G C8 C 135.956 0.000 . 290 30 30 G N1 N 145.248 0.000 . 291 31 31 C H5 H 5.128 0.005 . 292 31 31 C H6 H 7.519 0.002 . 293 31 31 C H1' H 5.451 0.001 . 294 31 31 C H2' H 4.371 0.000 . 295 31 31 C H41 H 8.541 0.000 . 296 31 31 C H42 H 6.840 0.000 . 297 31 31 C C5 C 97.462 0.000 . 298 31 31 C C6 C 140.841 0.000 . 299 31 31 C N3 N 165.032 0.000 . 300 32 32 C H2' H 4.443 0.000 . 301 32 32 C H5 H 5.453 0.002 . 302 32 32 C H6 H 7.627 0.002 . 303 32 32 C H1' H 5.383 0.000 . 304 32 32 C H41 H 8.331 0.000 . 305 32 32 C H42 H 6.828 0.000 . 306 32 32 C C6 C 140.799 0.000 . 307 32 32 C N3 N 164.501 0.000 . 308 33 33 A H2 H 6.946 0.007 . 309 33 33 A H8 H 7.942 0.004 . 310 33 33 A H1' H 5.815 0.003 . 311 33 33 A H2' H 4.600 0.001 . 312 33 33 A H3' H 4.450 0.000 . 313 33 33 A H4' H 4.396 0.000 . 314 33 33 A H5' H 4.060 0.000 . 315 33 33 A C2 C 152.483 0.000 . 316 33 33 A C8 C 139.404 0.000 . 317 33 33 A C1' C 92.983 0.000 . 318 34 34 G H1 H 12.819 0.007 . 319 34 34 G H8 H 6.910 0.005 . 320 34 34 G H1' H 5.374 0.001 . 321 34 34 G H2' H 4.305 0.000 . 322 34 34 G H3' H 4.214 0.003 . 323 34 34 G H5' H 3.928 0.001 . 324 34 34 G H21 H 8.351 0.000 . 325 34 34 G H22 H 5.921 0.000 . 326 34 34 G C8 C 135.637 0.000 . 327 34 34 G N1 N 144.836 0.000 . 328 35 35 G H1 H 10.429 0.003 . 329 35 35 G H8 H 7.086 0.005 . 330 35 35 G H1' H 5.378 0.001 . 331 35 35 G H2' H 4.045 0.001 . 332 35 35 G H3' H 4.377 0.001 . 333 35 35 G H4' H 4.141 0.001 . 334 35 35 G H5' H 3.867 0.000 . 335 35 35 G C8 C 136.069 0.000 . 336 36 36 G H1 H 10.358 0.008 . 337 36 36 G H8 H 7.510 0.005 . 338 36 36 G H1' H 5.275 0.002 . 339 36 36 G H2' H 4.548 0.001 . 340 36 36 G H3' H 4.590 0.000 . 341 36 36 G H4' H 4.243 0.001 . 342 36 36 G H5' H 4.013 0.003 . 343 36 36 G H5'' H 3.905 0.001 . 344 36 36 G C8 C 139.619 0.000 . 345 36 36 G C1' C 93.983 0.000 . 346 37 37 A H2 H 7.834 0.009 . 347 37 37 A H8 H 8.092 0.045 . 348 37 37 A H1' H 5.759 0.006 . 349 37 37 A H2' H 4.449 0.001 . 350 37 37 A H3' H 4.504 0.000 . 351 37 37 A H4' H 4.431 0.000 . 352 37 37 A H5' H 4.130 0.001 . 353 37 37 A C2 C 154.686 0.000 . 354 37 37 A C8 C 141.202 0.427 . 355 37 37 A C1' C 90.383 0.000 . 356 38 38 A H2 H 7.935 0.007 . 357 38 38 A H8 H 8.274 0.017 . 358 38 38 A H1' H 5.666 0.003 . 359 38 38 A H2' H 4.682 0.002 . 360 38 38 A H3' H 4.636 0.002 . 361 38 38 A H5' H 4.179 0.002 . 362 38 38 A C2 C 154.808 0.000 . 363 38 38 A C1' C 89.845 0.000 . 364 39 39 U H3 H 14.010 0.005 . 365 39 39 U H5 H 5.113 0.002 . 366 39 39 U H6 H 7.639 0.007 . 367 39 39 U H1' H 5.563 0.001 . 368 39 39 U H2' H 4.445 0.001 . 369 39 39 U H3' H 4.383 0.000 . 370 39 39 U H4' H 4.473 0.001 . 371 39 39 U H5' H 4.223 0.003 . 372 39 39 U C5 C 103.182 0.000 . 373 39 39 U C6 C 142.323 0.000 . 374 39 39 U C1' C 93.577 0.000 . 375 40 40 C H6 H 7.845 0.014 . 376 40 40 C H5 H 5.599 0.004 . 377 40 40 C H1' H 5.571 0.004 . 378 40 40 C H2' H 4.303 0.000 . 379 40 40 C H41 H 8.366 0.000 . 380 40 40 C H42 H 6.933 0.000 . 381 40 40 C C5 C 97.595 0.000 . 382 40 40 C C6 C 141.725 0.000 . 383 40 40 C N3 N 164.890 0.000 . 384 41 41 U H3 H 13.853 0.003 . 385 41 41 U H5 H 5.345 0.001 . 386 41 41 U H6 H 7.852 0.001 . 387 41 41 U H1' H 5.461 0.002 . 388 41 41 U H2' H 4.389 0.000 . 389 41 41 U C5 C 103.253 0.000 . 390 41 41 U C1' C 93.769 0.000 . 391 42 42 U H3 H 13.679 0.005 . 392 42 42 U H5 H 5.524 0.002 . 393 42 42 U H6 H 7.990 0.007 . 394 42 42 U H1' H 5.580 0.001 . 395 42 42 U H2' H 4.484 0.002 . 396 42 42 U H3' H 4.368 0.000 . 397 42 42 U H4' H 4.401 0.000 . 398 42 42 U C5 C 102.948 0.000 . 399 42 42 U C6 C 142.676 0.000 . 400 42 42 U C1' C 93.418 0.000 . 401 43 43 C H5 H 5.563 0.000 . 402 43 43 C H6 H 7.828 0.004 . 403 43 43 C H1' H 5.448 0.002 . 404 43 43 C H2' H 4.219 0.001 . 405 43 43 C H41 H 8.259 0.000 . 406 43 43 C H42 H 6.918 0.000 . 407 43 43 C C5 C 97.173 0.000 . 408 43 43 C C6 C 141.778 0.000 . 409 43 43 C N3 N 165.227 0.000 . 410 44 44 C H5 H 5.374 0.002 . 411 44 44 C H6 H 7.716 0.002 . 412 44 44 C H1' H 5.374 0.000 . 413 44 44 C H2' H 4.159 0.000 . 414 44 44 C C5 C 97.342 0.000 . 415 44 44 C C6 C 141.416 0.000 . 416 44 44 C N3 N 164.903 0.000 . 417 45 45 C H5 H 5.397 0.002 . 418 45 45 C H6 H 7.595 0.002 . 419 45 45 C H1' H 5.678 0.000 . 420 45 45 C H2' H 3.931 0.000 . 421 45 45 C C5 C 97.870 0.000 . 422 45 45 C C6 C 141.831 0.000 . 423 45 45 C N3 N 164.838 0.000 . stop_ save_