data_17941 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; the structure of subdomain IV-B from the CVB-3 IRES ; _BMRB_accession_number 17941 _BMRB_flat_file_name bmr17941.str _Entry_type original _Submission_date 2011-09-15 _Accession_date 2011-09-15 _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 Ihle Yvonne . . 2 Zell Roland . . 3 Goerlach Matthias . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 243 "13C chemical shifts" 179 "15N chemical shifts" 47 "31P chemical shifts" 2 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-09-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Structure of Subdomain IV-B from the CVB-3 IRES' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ihle Yvonne . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name IV-B_RNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IV-B_RNA $IV-B_RNA 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_IV-B_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common IV-B_RNA _Molecular_mass 8600.216 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; GGCCUCAGCACUACCCCAGU GUAGGUC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 290 G 2 291 G 3 292 C 4 293 C 5 294 U 6 295 C 7 296 A 8 297 G 9 298 C 10 299 A 11 300 C 12 301 U 13 302 A 14 303 C 15 304 C 16 305 C 17 306 C 18 307 A 19 308 G 20 309 U 21 310 G 22 311 U 23 312 A 24 313 G 25 314 G 26 315 U 27 316 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB M88483.1 'Coxsackievirus B3 mRNA' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $IV-B_RNA 'Coxsackievirus B3' 00.052.0.01 12072 Viruses . Enterovirus 'Human enterovirus B' B3 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 $IV-B_RNA 'enzymatic semisynthesis' . . . . pUC19 'in vitro transcription, T7 RNA polymerase' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-IVB _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IV-B_RNA 1 mM '[U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 200 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C_15N-IVB _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IV-B_RNA 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 200 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_(C_A-13C_15N)-IVB _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IV-B_RNA 1 mM '[U-13C; U-15N]-Ade,Cyt' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 200 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_(G_U-13C_15N)-IVB _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IV-B_RNA 1 mM '[U-13C; U-15N]-Gua,Ura' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 200 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-IVB save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 6.2 . pH pressure 1 . atm 'ionic strength' 50 . mM stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 6.2 . 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 DSS H 1 'methyl protons' ppm 0.00 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 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-15N HSQC' stop_ loop_ _Sample_label $15N-IVB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IV-B_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 1 290 1 G H1 H 12.866 0.01 1 2 290 1 G H1' H 5.722 0.01 1 3 290 1 G H2' H 4.7 0.01 1 4 290 1 G H3' H 4.587 0.01 1 5 290 1 G H4' H 4.45 0.01 1 6 290 1 G H5' H 4.343 0.01 2 7 290 1 G H5'' H 4.172 0.01 2 8 290 1 G H8 H 8.068 0.01 1 9 290 1 G HO2' H 6.848 0.01 1 10 290 1 G C1' C 91.976 0.1 1 11 290 1 G C2' C 75.179 0.1 1 12 290 1 G C3' C 74.285 0.1 1 13 290 1 G C4' C 83.132 0.1 1 14 290 1 G C5' C 67.049 0.1 1 15 290 1 G C8 C 139.108 0.1 1 16 290 1 G N1 N 146.663 0.3 1 17 290 1 G N9 N 169.118 0.3 1 18 291 2 G H1 H 11.656 0.01 1 19 291 2 G H1' H 5.819 0.01 1 20 291 2 G H2' H 4.567 0.01 1 21 291 2 G H3' H 4.409 0.01 1 22 291 2 G H4' H 4.425 0.01 1 23 291 2 G H5' H 4.415 0.01 2 24 291 2 G H5'' H 4.124 0.01 2 25 291 2 G H8 H 7.476 0.01 1 26 291 2 G H21 H 6.203 0.01 1 27 291 2 G H22 H 6.203 0.01 1 28 291 2 G HO2' H 7.072 0.01 1 29 291 2 G C1' C 93.129 0.1 1 30 291 2 G C2' C 75.343 0.1 1 31 291 2 G C3' C 72.504 0.1 1 32 291 2 G C4' C 82.226 0.1 1 33 291 2 G C5' C 65.644 0.1 1 34 291 2 G C8 C 137.16 0.1 1 35 291 2 G N1 N 144.082 0.3 1 36 291 2 G N2 N 71.063 0.3 1 37 291 2 G N9 N 170.219 0.3 1 38 292 3 C H1' H 5.437 0.01 1 39 292 3 C H2' H 4.228 0.01 1 40 292 3 C H3' H 4.37 0.01 1 41 292 3 C H4' H 4.299 0.01 1 42 292 3 C H5 H 5.361 0.01 1 43 292 3 C H5' H 4.417 0.01 2 44 292 3 C H5'' H 3.972 0.01 2 45 292 3 C H6 H 7.646 0.01 1 46 292 3 C H41 H 6.872 0.01 1 47 292 3 C H42 H 8.401 0.01 1 48 292 3 C HO2' H 6.615 0.01 1 49 292 3 C C1' C 93.729 0.1 1 50 292 3 C C2' C 75.649 0.1 1 51 292 3 C C3' C 71.812 0.1 1 52 292 3 C C4' C 81.8 0.1 1 53 292 3 C C5 C 97.427 0.1 1 54 292 3 C C5' C 64.025 0.1 1 55 292 3 C C6 C 140.555 0.1 1 56 292 3 C N1 N 151.555 0.3 1 57 292 3 C N3 N 195.727 0.3 1 58 292 3 C N4 N 98.291 0.3 1 59 293 4 C H1' H 5.449 0.01 1 60 293 4 C H2' H 4.269 0.01 1 61 293 4 C H3' H 4.235 0.01 1 62 293 4 C H4' H 4.274 0.01 1 63 293 4 C H5 H 5.364 0.01 1 64 293 4 C H5' H 4.386 0.01 2 65 293 4 C H5'' H 3.943 0.01 2 66 293 4 C H6 H 7.545 0.01 1 67 293 4 C H41 H 6.842 0.01 1 68 293 4 C H42 H 8.247 0.01 1 69 293 4 C HO2' H 6.464 0.01 1 70 293 4 C C1' C 94.205 0.1 1 71 293 4 C C2' C 75.601 0.1 1 72 293 4 C C3' C 72.344 0.1 1 73 293 4 C C4' C 81.923 0.1 1 74 293 4 C C5 C 97.8 0.1 1 75 293 4 C C5' C 64.638 0.1 1 76 293 4 C C6 C 141.07 0.1 1 77 293 4 C N1 N 151.136 0.3 1 78 293 4 C N3 N 194.951 0.3 1 79 293 4 C N4 N 96.406 0.3 1 80 294 5 U H1' H 5.427 0.01 1 81 294 5 U H2' H 3.961 0.01 1 82 294 5 U H3' H 4.3 0.01 1 83 294 5 U H4' H 4.347 0.01 1 84 294 5 U H5 H 5.377 0.01 1 85 294 5 U H5' H 3.955 0.01 2 86 294 5 U H5'' H 4.294 0.01 2 87 294 5 U H6 H 7.592 0.01 1 88 294 5 U C1' C 92.55 0.1 1 89 294 5 U C2' C 75.478 0.1 1 90 294 5 U C3' C 73.825 0.1 1 91 294 5 U C4' C 83.432 0.1 1 92 294 5 U C5 C 104.021 0.1 1 93 294 5 U C5' C 65.429 0.1 1 94 294 5 U C6 C 142.033 0.1 1 95 294 5 U N1 N 145.814 0.3 1 96 295 6 C H1' H 5.809 0.01 1 97 295 6 C H2' H 4.215 0.01 1 98 295 6 C H3' H 4.461 0.01 1 99 295 6 C H4' H 4.344 0.01 1 100 295 6 C H5 H 5.793 0.01 1 101 295 6 C H5' H 4.067 0.01 2 102 295 6 C H5'' H 4.105 0.01 2 103 295 6 C H6 H 7.668 0.01 1 104 295 6 C C1' C 91.277 0.1 1 105 295 6 C C2' C 75.763 0.1 1 106 295 6 C C3' C 76.703 0.1 1 107 295 6 C C4' C 84.35 0.1 1 108 295 6 C C5 C 98.974 0.1 1 109 295 6 C C5' C 67.371 0.1 1 110 295 6 C C6 C 143.726 0.1 1 111 295 6 C N1 N 150.281 0.3 1 112 296 7 A H1' H 5.814 0.01 1 113 296 7 A H2 H 7.967 0.01 1 114 296 7 A H2' H 4.785 0.01 1 115 296 7 A H3' H 4.561 0.01 1 116 296 7 A H4' H 4.442 0.01 1 117 296 7 A H5' H 4.111 0.01 2 118 296 7 A H5'' H 4.218 0.01 2 119 296 7 A H8 H 8.173 0.01 1 120 296 7 A C1' C 91.972 0.1 1 121 296 7 A C2 C 155.184 0.1 1 122 296 7 A C2' C 75.774 0.1 1 123 296 7 A C3' C 75.413 0.1 1 124 296 7 A C4' C 83.691 0.1 1 125 296 7 A C5' C 67.052 0.1 1 126 296 7 A C8 C 141.546 0.1 1 127 296 7 A N9 N 168.911 0.3 1 128 297 8 G H1 H 11.136 0.01 1 129 297 8 G H1' H 5.396 0.01 1 130 297 8 G H2' H 4.487 0.01 1 131 297 8 G H3' H 4.389 0.01 1 132 297 8 G H4' H 4.398 0.01 1 133 297 8 G H5' H 4.051 0.01 2 134 297 8 G H5'' H 4.332 0.01 2 135 297 8 G H8 H 7.524 0.01 1 136 297 8 G H21 H 6.163 0.01 1 137 297 8 G H22 H 6.163 0.01 1 138 297 8 G C1' C 92.499 0.1 1 139 297 8 G C2' C 75.2 0.1 1 140 297 8 G C3' C 72.935 0.1 1 141 297 8 G C4' C 82.49 0.1 1 142 297 8 G C5' C 65.702 0.1 1 143 297 8 G C8 C 137.08 0.1 1 144 297 8 G N1 N 143.782 0.3 1 145 297 8 G N2 N 71.654 0.3 1 146 297 8 G N9 N 169.917 0.3 1 147 298 9 C H1' H 5.309 0.01 1 148 298 9 C H2' H 4.303 0.01 1 149 298 9 C H3' H 4.414 0.01 1 150 298 9 C H4' H 4.31 0.01 1 151 298 9 C H5 H 5.347 0.01 1 152 298 9 C H5' H 3.994 0.01 2 153 298 9 C H5'' H 4.418 0.01 2 154 298 9 C H6 H 7.53 0.01 1 155 298 9 C H41 H 6.867 0.01 1 156 298 9 C H42 H 8.24 0.01 1 157 298 9 C HO2' H 6.547 0.01 1 158 298 9 C C1' C 93.644 0.1 1 159 298 9 C C2' C 75.247 0.1 1 160 298 9 C C3' C 72.04 0.1 1 161 298 9 C C4' C 81.878 0.1 1 162 298 9 C C5 C 97.829 0.1 1 163 298 9 C C5' C 64.118 0.1 1 164 298 9 C C6 C 140.394 0.1 1 165 298 9 C N1 N 150.745 0.3 1 166 298 9 C N3 N 195.533 0.3 1 167 298 9 C N4 N 96.727 0.3 1 168 299 10 A H1' H 5.819 0.01 1 169 299 10 A H2 H 7.283 0.01 1 170 299 10 A H2' H 4.404 0.01 1 171 299 10 A H3' H 4.567 0.01 1 172 299 10 A H4' H 4.363 0.01 1 173 299 10 A H5' H 4.019 0.01 2 174 299 10 A H5'' H 4.462 0.01 2 175 299 10 A H8 H 7.933 0.01 1 176 299 10 A H61 H 6.263 0.01 2 177 299 10 A H62 H 7.865 0.01 2 178 299 10 A HO2' H 6.711 0.01 1 179 299 10 A C1' C 92.942 0.1 1 180 299 10 A C2 C 153.279 0.1 1 181 299 10 A C2' C 75.245 0.1 1 182 299 10 A C3' C 72.556 0.1 1 183 299 10 A C4' C 81.961 0.1 1 184 299 10 A C5' C 64.841 0.1 1 185 299 10 A C8 C 139.416 0.1 1 186 299 10 A N1 N 219.906 0.3 1 187 299 10 A N6 N 82.202 0.3 1 188 299 10 A N9 N 170.684 0.3 1 189 300 11 C H1' H 5.277 0.01 1 190 300 11 C H2' H 4.086 0.01 1 191 300 11 C H3' H 4.272 0.01 1 192 300 11 C H4' H 4.255 0.01 1 193 300 11 C H5 H 5.023 0.01 1 194 300 11 C H5' H 3.937 0.01 2 195 300 11 C H5'' H 4.404 0.01 2 196 300 11 C H6 H 7.362 0.01 1 197 300 11 C H41 H 6.823 0.01 1 198 300 11 C H42 H 8.142 0.01 1 199 300 11 C C1' C 93.643 0.1 1 200 300 11 C C2' C 75.661 0.1 1 201 300 11 C C3' C 72.526 0.1 1 202 300 11 C C4' C 81.908 0.1 1 203 300 11 C C5 C 97.079 0.1 1 204 300 11 C C5' C 64.558 0.1 1 205 300 11 C C6 C 140.698 0.1 1 206 300 11 C N1 N 150.913 0.3 1 207 300 11 C N3 N 195.242 0.3 1 208 300 11 C N4 N 96.999 0.3 1 209 301 12 U H1' H 5.549 0.01 1 210 301 12 U H2' H 4.407 0.01 1 211 301 12 U H3' H 4.332 0.01 1 212 301 12 U H4' H 4.309 0.01 1 213 301 12 U H5' H 4.009 0.01 2 214 301 12 U H6 H 7.599 0.01 1 215 301 12 U C1' C 92.751 0.1 1 216 301 12 U C2' C 75.482 0.1 1 217 301 12 U C3' C 72.805 0.1 1 218 301 12 U C4' C 82.969 0.1 1 219 302 13 A H1' H 5.609 0.01 1 220 302 13 A H2 H 7.351 0.01 1 221 302 13 A H2' H 4.407 0.01 1 222 302 13 A H3' H 4.407 0.01 1 223 302 13 A H4' H 4.352 0.01 1 224 302 13 A H5' H 4.319 0.01 2 225 302 13 A H5'' H 4.02 0.01 2 226 302 13 A H8 H 7.998 0.01 1 227 302 13 A C1' C 92.759 0.1 1 228 302 13 A C2 C 154.219 0.1 1 229 302 13 A C2' C 75.641 0.1 1 230 302 13 A C3' C 73.442 0.1 1 231 302 13 A C4' C 83.444 0.1 1 232 302 13 A C5' C 65.644 0.1 1 233 302 13 A C8 C 140.022 0.1 1 234 303 14 C H1' H 5.231 0.01 1 235 303 14 C H2' H 3.939 0.01 1 236 303 14 C H3' H 4.196 0.01 1 237 303 14 C H4' H 3.889 0.01 1 238 303 14 C H5 H 5.321 0.01 1 239 303 14 C H5' H 3.845 0.01 2 240 303 14 C H5'' H 4.151 0.01 2 241 303 14 C H6 H 7.345 0.01 1 242 303 14 C C1' C 93.176 0.1 1 243 303 14 C C2' C 75.72 0.1 1 244 303 14 C C3' C 73.811 0.1 1 245 303 14 C C4' C 82.791 0.1 1 246 303 14 C C5 C 97.342 0.1 1 247 303 14 C C5' C 65.092 0.1 1 248 303 14 C C6 C 141.728 0.1 1 249 303 14 C N1 N 151.986 0.3 1 250 304 15 C H1' H 5.548 0.01 1 251 304 15 C H2' H 4.201 0.01 1 252 304 15 C H3' H 4.282 0.01 1 253 304 15 C H4' H 4.162 0.01 1 254 304 15 C H5 H 5.587 0.01 1 255 304 15 C H5' H 3.83 0.01 2 256 304 15 C H5'' H 4.084 0.01 2 257 304 15 C H6 H 7.665 0.01 1 258 304 15 C C1' C 92.601 0.1 1 259 304 15 C C2' C 75.924 0.1 1 260 304 15 C C3' C 74.097 0.1 1 261 304 15 C C4' C 83.396 0.1 1 262 304 15 C C5 C 98.174 0.1 1 263 304 15 C C5' C 65.555 0.1 1 264 304 15 C C6 C 143.083 0.1 1 265 304 15 C N1 N 152.129 0.3 1 266 304 15 C P P -1.163 0.0 1 267 305 16 C H1' H 5.543 0.01 1 268 305 16 C H2' H 4.271 0.01 1 269 305 16 C H3' H 4.3 0.01 1 270 305 16 C H4' H 4.226 0.01 1 271 305 16 C H5 H 5.598 0.01 1 272 305 16 C H5' H 3.974 0.01 2 273 305 16 C H5'' H 4.149 0.01 2 274 305 16 C H6 H 7.596 0.01 1 275 305 16 C C1' C 93.027 0.1 1 276 305 16 C C2' C 75.812 0.1 1 277 305 16 C C3' C 73.802 0.1 1 278 305 16 C C4' C 83.077 0.1 1 279 305 16 C C5 C 98.316 0.1 1 280 305 16 C C5' C 65.677 0.1 1 281 305 16 C C6 C 142.238 0.1 1 282 305 16 C N1 N 152.51 0.3 1 283 306 17 C H1' H 5.66 0.01 1 284 306 17 C H2' H 4.387 0.01 1 285 306 17 C H3' H 4.399 0.01 1 286 306 17 C H4' H 4.333 0.01 1 287 306 17 C H5 H 5.624 0.01 1 288 306 17 C H5' H 4.044 0.01 2 289 306 17 C H5'' H 4.201 0.01 2 290 306 17 C H6 H 7.709 0.01 1 291 306 17 C C1' C 92.671 0.1 1 292 306 17 C C2' C 76.128 0.1 1 293 306 17 C C3' C 74.629 0.1 1 294 306 17 C C4' C 83.134 0.1 1 295 306 17 C C5 C 98.477 0.1 1 296 306 17 C C5' C 66.397 0.1 1 297 306 17 C C6 C 142.676 0.1 1 298 306 17 C N1 N 152.655 0.3 1 299 307 18 A H1' H 5.761 0.01 1 300 307 18 A H2 H 7.413 0.01 1 301 307 18 A H2' H 4.75 0.01 1 302 307 18 A H3' H 4.341 0.01 1 303 307 18 A H4' H 4.462 0.01 1 304 307 18 A H5' H 4.233 0.01 2 305 307 18 A H5'' H 4.174 0.01 2 306 307 18 A H8 H 8.13 0.01 1 307 307 18 A C1' C 92.853 0.1 1 308 307 18 A C2 C 152.828 0.1 1 309 307 18 A C2' C 75.171 0.1 1 310 307 18 A C3' C 74.556 0.1 1 311 307 18 A C4' C 83.007 0.1 1 312 307 18 A C5' C 67.987 0.1 1 313 307 18 A C8 C 141.036 0.1 1 314 307 18 A N9 N 170.026 0.3 1 315 308 19 G H1 H 13.031 0.01 1 316 308 19 G H1' H 5.533 0.01 1 317 308 19 G H2' H 4.353 0.01 1 318 308 19 G H3' H 4.305 0.01 1 319 308 19 G H4' H 4.364 0.01 1 320 308 19 G H5' H 3.981 0.01 2 321 308 19 G H5'' H 4.315 0.01 2 322 308 19 G H8 H 7.101 0.01 1 323 308 19 G C1' C 92.976 0.1 1 324 308 19 G C2' C 75.101 0.1 1 325 308 19 G C3' C 72.841 0.1 1 326 308 19 G C4' C 82.344 0.1 1 327 308 19 G C5' C 65.715 0.1 1 328 308 19 G C8 C 136.259 0.1 1 329 308 19 G N1 N 146.243 0.3 1 330 308 19 G N9 N 169.057 0.3 1 331 309 20 U H1' H 5.423 0.01 1 332 309 20 U H2' H 4.472 0.01 1 333 309 20 U H3 H 13.693 0.01 1 334 309 20 U H3' H 4.407 0.01 1 335 309 20 U H4' H 4.32 0.01 1 336 309 20 U H5 H 4.935 0.01 1 337 309 20 U H5' H 3.966 0.01 2 338 309 20 U H5'' H 4.434 0.01 2 339 309 20 U H6 H 7.594 0.01 1 340 309 20 U HO2' H 6.81 0.01 1 341 309 20 U C1' C 93.394 0.1 1 342 309 20 U C2' C 75.119 0.1 1 343 309 20 U C3' C 72.061 0.1 1 344 309 20 U C4' C 82.021 0.1 1 345 309 20 U C5 C 102.905 0.1 1 346 309 20 U C5' C 64.349 0.1 1 347 309 20 U C6 C 141.217 0.1 1 348 309 20 U N1 N 145.768 0.3 1 349 309 20 U N3 N 160.585 0.3 1 350 310 21 G H1 H 12.545 0.01 1 351 310 21 G H1' H 5.696 0.01 1 352 310 21 G H2' H 4.378 0.01 1 353 310 21 G H3' H 4.366 0.01 1 354 310 21 G H4' H 4.353 0.01 1 355 310 21 G H5' H 3.991 0.01 2 356 310 21 G H5'' H 4.391 0.01 2 357 310 21 G H8 H 7.498 0.01 1 358 310 21 G HO2' H 6.885 0.01 1 359 310 21 G C1' C 92.815 0.1 1 360 310 21 G C2' C 75.43 0.1 1 361 310 21 G C3' C 72.629 0.1 1 362 310 21 G C4' C 81.843 0.1 1 363 310 21 G C5' C 65.188 0.1 1 364 310 21 G C8 C 136.056 0.1 1 365 310 21 G N1 N 145.922 0.3 1 366 310 21 G N9 N 170.313 0.3 1 367 311 22 U H1' H 5.481 0.01 1 368 311 22 U H2' H 4.163 0.01 1 369 311 22 U H3 H 12.96 0.01 1 370 311 22 U H3' H 4.423 0.01 1 371 311 22 U H4' H 4.249 0.01 1 372 311 22 U H5 H 5.28 0.01 1 373 311 22 U H5' H 3.952 0.01 2 374 311 22 U H5'' H 4.366 0.01 2 375 311 22 U H6 H 7.537 0.01 1 376 311 22 U HO2' H 6.907 0.01 1 377 311 22 U C1' C 92.938 0.1 1 378 311 22 U C2' C 75.789 0.1 1 379 311 22 U C3' C 72.61 0.1 1 380 311 22 U C4' C 82.586 0.1 1 381 311 22 U C5 C 104.108 0.1 1 382 311 22 U C5' C 64.376 0.1 1 383 311 22 U C6 C 140.409 0.1 1 384 311 22 U N1 N 145.333 0.3 1 385 312 23 A H1' H 5.782 0.01 1 386 312 23 A H2 H 7.106 0.01 1 387 312 23 A H2' H 4.594 0.01 1 388 312 23 A H3' H 4.529 0.01 1 389 312 23 A H4' H 4.476 0.01 1 390 312 23 A H5' H 4.053 0.01 2 391 312 23 A H5'' H 4.207 0.01 2 392 312 23 A H8 H 8.095 0.01 1 393 312 23 A C1' C 90.327 0.1 1 394 312 23 A C2 C 153.897 0.1 1 395 312 23 A C2' C 75.111 0.1 1 396 312 23 A C3' C 75.81 0.1 1 397 312 23 A C4' C 83.11 0.1 1 398 312 23 A C5' C 66.909 0.1 1 399 312 23 A C8 C 140.957 0.1 1 400 312 23 A N9 N 167.568 0.3 1 401 313 24 G H1 H 12.738 0.01 1 402 313 24 G H1' H 5.712 0.01 1 403 313 24 G H2' H 4.633 0.01 1 404 313 24 G H3' H 4.332 0.01 1 405 313 24 G H4' H 4.392 0.01 1 406 313 24 G H5' H 4.148 0.01 2 407 313 24 G H5'' H 4.265 0.01 2 408 313 24 G H8 H 7.453 0.01 1 409 313 24 G C1' C 92.887 0.1 1 410 313 24 G C2' C 74.951 0.1 1 411 313 24 G C3' C 73.761 0.1 1 412 313 24 G C4' C 82.622 0.1 1 413 313 24 G C5' C 67.613 0.1 1 414 313 24 G C8 C 137.019 0.1 1 415 313 24 G N1 N 145.982 0.3 1 416 313 24 G N9 N 169.607 0.3 1 417 314 25 G H1 H 13.392 0.01 1 418 314 25 G H1' H 5.75 0.01 1 419 314 25 G H2' H 4.579 0.01 1 420 314 25 G H3' H 4.317 0.01 1 421 314 25 G H4' H 4.438 0.01 1 422 314 25 G H5' H 3.99 0.01 2 423 314 25 G H5'' H 4.448 0.01 2 424 314 25 G H8 H 7.163 0.01 1 425 314 25 G HO2' H 6.813 0.01 1 426 314 25 G C1' C 93.14 0.1 1 427 314 25 G C2' C 75.098 0.1 1 428 314 25 G C3' C 72.43 0.1 1 429 314 25 G C4' C 82.043 0.1 1 430 314 25 G C5' C 64.951 0.1 1 431 314 25 G C8 C 136.073 0.1 1 432 314 25 G N1 N 147.003 0.3 1 433 314 25 G N9 N 169.739 0.3 1 434 315 26 U H1' H 5.456 0.01 1 435 315 26 U H2' H 3.994 0.01 1 436 315 26 U H3 H 12.213 0.01 1 437 315 26 U H3' H 4.408 0.01 1 438 315 26 U H4' H 4.283 0.01 1 439 315 26 U H5 H 5.317 0.01 1 440 315 26 U H5' H 3.944 0.01 2 441 315 26 U H5'' H 4.426 0.01 2 442 315 26 U H6 H 7.658 0.01 1 443 315 26 U C1' C 94.395 0.1 1 444 315 26 U C2' C 75.505 0.1 1 445 315 26 U C3' C 72.018 0.1 1 446 315 26 U C4' C 82.486 0.1 1 447 315 26 U C5 C 103.843 0.1 1 448 315 26 U C5' C 63.991 0.1 1 449 315 26 U C6 C 140.697 0.1 1 450 315 26 U N1 N 145.573 0.3 1 451 315 26 U N3 N 157.485 0.3 1 452 316 27 C H1' H 6.091 0.01 1 453 316 27 C H2' H 4.563 0.01 1 454 316 27 C H3' H 4.912 0.01 1 455 316 27 C H4' H 4.264 0.01 1 456 316 27 C H5 H 5.589 0.01 1 457 316 27 C H5' H 3.985 0.01 2 458 316 27 C H5'' H 4.487 0.01 2 459 316 27 C H6 H 7.459 0.01 1 460 316 27 C H41 H 6.971 0.01 2 461 316 27 C H42 H 8.578 0.01 2 462 316 27 C C1' C 91.512 0.1 1 463 316 27 C C2' C 84.989 0.1 1 464 316 27 C C3' C 77.597 0.1 1 465 316 27 C C4' C 85.321 0.1 1 466 316 27 C C5 C 98.912 0.1 1 467 316 27 C C5' C 65.704 0.1 1 468 316 27 C C6 C 143.014 0.1 1 469 316 27 C N1 N 150.909 0.3 1 470 316 27 C N4 N 97.095 0.3 1 471 316 27 C P P -1.498 0.000 1 stop_ save_