data_28094 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of 5'UTR of Stem loop B in DENV4 ; _BMRB_accession_number 28094 _BMRB_flat_file_name bmr28094.str _Entry_type original _Submission_date 2020-03-06 _Accession_date 2020-03-06 _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 Sharma Shrikant . . 2 Varani Gabriele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 327 "13C chemical shifts" 265 "15N chemical shifts" 18 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-18 original BMRB . stop_ _Original_release_date 2020-03-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of Dengue West Nile viruses stem-loop B: A key cis-acting element for flavivirus replication ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32807496 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharma Shrikant . . 2 Varani Gabriele . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _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 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DENV4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 5_prime_UTR $DENV4 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_DENV4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common DENV4 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; GGUUUGUUUGAAUAGAGAGC AGAUCUCUGGAAAAAUGAAC C ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 U 4 U 5 U 6 G 7 U 8 U 9 U 10 G 11 A 12 A 13 U 14 A 15 G 16 A 17 G 18 A 19 G 20 C 21 A 22 G 23 A 24 U 25 C 26 U 27 C 28 U 29 G 30 G 31 A 32 A 33 A 34 A 35 A 36 U 37 G 38 A 39 A 40 C 41 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 $DENV4 Flavivirus 11051 Viruses . Flavivirus . 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 $DENV4 'reverse transcriptase' . Dengue virus . Ades 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 $DENV4 0.75 mM 0.5 1.0 '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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 'ionic strength' 20 . mM pH 6.0 . pH pressure 1 . atm temperature 293 5 K 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 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-1H TOCSY' '2D 1H-15N HSQC' '2D 1H-1H NOESY' '2D 1H-13C HSQC aromatic' 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 5_prime_UTR _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 4.880 0.03 1 2 1 1 G H2' H 4.916 0.03 1 3 1 1 G H3' H 4.368 0.03 1 4 1 1 G H4' H 4.507 0.03 1 5 1 1 G H5' H 4.455 0.03 1 6 1 1 G H5'' H 4.020 0.03 1 7 1 1 G H8 H 7.768 0.03 1 8 1 1 G C1' C 89.481 0.3 1 9 1 1 G C2' C 72.347 0.3 1 10 1 1 G C3' C 73.472 0.3 1 11 1 1 G C4' C 79.869 0.3 1 12 1 1 G C5' C 65.104 0.3 1 13 1 1 G C8 C 141.081 0.3 1 14 2 2 G H1 H 13.235 0.03 1 15 2 2 G H1' H 5.213 0.03 1 16 2 2 G H2' H 4.760 0.03 1 17 2 2 G H3' H 4.197 0.03 1 18 2 2 G H4' H 4.412 0.03 1 19 2 2 G H5' H 4.001 0.03 1 20 2 2 G H5'' H 4.432 0.03 1 21 2 2 G H8 H 7.518 0.03 1 22 2 2 G C1' C 90.161 0.3 1 23 2 2 G C2' C 74.311 0.3 1 24 2 2 G C3' C 72.801 0.3 1 25 2 2 G C4' C 80.592 0.3 1 26 2 2 G C5' C 65.081 0.3 1 27 2 2 G C8 C 142.236 0.3 1 28 2 2 G N1 N 148.128 0.3 1 29 3 3 U H1' H 5.251 0.03 1 30 3 3 U H2' H 4.452 0.03 1 31 3 3 U H3 H 14.110 0.03 1 32 3 3 U H3' H 4.731 0.03 1 33 3 3 U H4' H 4.280 0.03 1 34 3 3 U H5 H 5.054 0.03 1 35 3 3 U H5' H 3.972 0.03 1 36 3 3 U H5'' H 4.393 0.03 1 37 3 3 U H6 H 7.713 0.03 1 38 3 3 U C1' C 89.218 0.3 1 39 3 3 U C2' C 70.106 0.3 1 40 3 3 U C3' C 72.989 0.3 1 41 3 3 U C4' C 79.776 0.3 1 42 3 3 U C5 C 100.654 0.3 1 43 3 3 U C5' C 61.314 0.3 1 44 3 3 U C6 C 134.948 0.3 1 45 3 3 U N3 N 162.338 0.3 1 46 4 4 U H1' H 5.041 0.03 1 47 4 4 U H2' H 4.331 0.03 1 48 4 4 U H3 H 13.511 0.03 1 49 4 4 U H3' H 4.746 0.03 1 50 4 4 U H4' H 4.427 0.03 1 51 4 4 U H5 H 5.411 0.03 1 52 4 4 U H5' H 4.432 0.03 1 53 4 4 U H5'' H 3.994 0.03 1 54 4 4 U H6 H 7.810 0.03 1 55 4 4 U C1' C 89.711 0.3 1 56 4 4 U C2' C 73.381 0.3 1 57 4 4 U C3' C 73.456 0.3 1 58 4 4 U C4' C 79.940 0.3 1 59 4 4 U C5 C 100.753 0.3 1 60 4 4 U C5' C 61.337 0.3 1 61 4 4 U C6 C 135.768 0.3 1 62 4 4 U N3 N 162.216 0.3 1 63 5 5 U H1' H 5.327 0.03 1 64 5 5 U H2' H 4.269 0.03 1 65 5 5 U H3 H 11.526 0.03 1 66 5 5 U H3' H 4.734 0.03 1 67 5 5 U H4' H 4.473 0.03 1 68 5 5 U H5 H 5.540 0.03 1 69 5 5 U H5' H 4.454 0.03 1 70 5 5 U H5'' H 3.948 0.03 1 71 5 5 U H6 H 7.477 0.03 1 72 5 5 U C1' C 89.664 0.3 1 73 5 5 U C2' C 73.422 0.3 1 74 5 5 U C3' C 72.768 0.3 1 75 5 5 U C4' C 80.064 0.3 1 76 5 5 U C5 C 101.129 0.3 1 77 5 5 U C5' C 61.780 0.3 1 78 5 5 U C6 C 136.321 0.3 1 79 5 5 U N3 N 158.503 0.3 1 80 6 6 G H1 H 10.833 0.03 1 81 6 6 G H1' H 5.604 0.03 1 82 6 6 G H2' H 4.242 0.03 1 83 6 6 G H3' H 4.176 0.03 1 84 6 6 G H4' H 4.508 0.03 1 85 6 6 G H5' H 4.531 0.03 1 86 6 6 G H5'' H 4.156 0.03 1 87 6 6 G H8 H 7.963 0.03 1 88 6 6 G C1' C 88.552 0.3 1 89 6 6 G C2' C 73.453 0.3 1 90 6 6 G C3' C 72.622 0.3 1 91 6 6 G C4' C 80.527 0.3 1 92 6 6 G C5' C 61.780 0.3 1 93 6 6 G C8 C 137.696 0.3 1 94 6 6 G N1 N 143.331 0.3 1 95 7 7 U H1' H 5.259 0.03 1 96 7 7 U H2' H 4.068 0.03 1 97 7 7 U H3 H 14.034 0.03 1 98 7 7 U H3' H 4.352 0.03 1 99 7 7 U H4' H 4.407 0.03 1 100 7 7 U H5 H 5.072 0.03 1 101 7 7 U H5' H 4.464 0.03 1 102 7 7 U H5'' H 4.006 0.03 1 103 7 7 U H6 H 7.434 0.03 1 104 7 7 U C1' C 91.307 0.3 1 105 7 7 U C2' C 73.012 0.3 1 106 7 7 U C3' C 72.355 0.3 1 107 7 7 U C4' C 80.688 0.3 1 108 7 7 U C5 C 100.015 0.3 1 109 7 7 U C5' C 61.808 0.3 1 110 7 7 U C6 C 138.209 0.3 1 111 7 7 U N3 N 162.396 0.3 1 112 8 8 U H1' H 5.350 0.03 1 113 8 8 U H2' H 4.584 0.03 1 114 8 8 U H3 H 13.353 0.03 1 115 8 8 U H3' H 4.851 0.03 1 116 8 8 U H4' H 4.379 0.03 1 117 8 8 U H5 H 5.779 0.03 1 118 8 8 U H5' H 4.583 0.03 1 119 8 8 U H5'' H 4.118 0.03 1 120 8 8 U H6 H 7.794 0.03 1 121 8 8 U C1' C 91.254 0.3 1 122 8 8 U C2' C 72.468 0.3 1 123 8 8 U C3' C 72.731 0.3 1 124 8 8 U C4' C 80.930 0.3 1 125 8 8 U C5 C 101.527 0.03 1 126 8 8 U C5' C 61.811 0.3 1 127 8 8 U C6 C 137.234 0.3 1 128 8 8 U N3 N 162.410 0.3 1 129 9 9 U H1' H 5.418 0.03 1 130 9 9 U H2' H 3.949 0.03 1 131 9 9 U H3 H 12.784 0.03 1 132 9 9 U H3' H 4.792 0.03 1 133 9 9 U H4' H 4.427 0.03 1 134 9 9 U H5 H 5.139 0.03 1 135 9 9 U H5' H 4.074 0.03 1 136 9 9 U H5'' H 4.032 0.03 1 137 9 9 U H6 H 7.464 0.03 1 138 9 9 U C1' C 91.054 0.3 1 139 9 9 U C2' C 74.833 0.3 1 140 9 9 U C3' C 70.348 0.3 1 141 9 9 U C4' C 81.329 0.3 1 142 9 9 U C5 C 100.996 0.3 1 143 9 9 U C5' C 61.866 0.3 1 144 9 9 U C6 C 141.204 0.3 1 145 9 9 U N3 N 160.793 0.3 1 146 10 10 G H1' H 5.428 0.03 1 147 10 10 G H2' H 4.522 0.03 1 148 10 10 G H3' H 4.373 0.03 1 149 10 10 G H4' H 4.201 0.03 1 150 10 10 G H5' H 4.562 0.03 1 151 10 10 G H5'' H 3.968 0.03 1 152 10 10 G H8 H 8.119 0.03 1 153 10 10 G C1' C 89.856 0.3 1 154 10 10 G C2' C 72.649 0.3 1 155 10 10 G C3' C 71.100 0.3 1 156 10 10 G C4' C 81.372 0.3 1 157 10 10 G C5' C 61.819 0.3 1 158 10 10 G C8 C 139.183 0.3 1 159 11 11 A H1' H 5.521 0.03 1 160 11 11 A H2 H 7.195 0.03 1 161 11 11 A H2' H 4.598 0.03 1 162 11 11 A H8 H 8.113 0.03 1 163 11 11 A C1' C 89.852 0.3 1 164 11 11 A C2 C 150.324 0.3 1 165 11 11 A C2' C 72.881 0.3 1 166 11 11 A C8 C 138.834 0.3 1 167 12 12 A H1' H 5.579 0.03 1 168 12 12 A H2 H 8.217 0.03 1 169 12 12 A H2' H 4.564 0.03 1 170 12 12 A H3' H 4.544 0.03 1 171 12 12 A H4' H 4.108 0.03 1 172 12 12 A H5' H 4.447 0.03 1 173 12 12 A H5'' H 4.051 0.03 1 174 12 12 A H8 H 7.789 0.03 1 175 12 12 A C1' C 89.492 0.3 1 176 12 12 A C2 C 152.825 0.3 1 177 12 12 A C2' C 72.742 0.3 1 178 12 12 A C3' C 72.083 0.3 1 179 12 12 A C4' C 80.646 0.3 1 180 12 12 A C5' C 61.866 0.3 1 181 12 12 A C8 C 139.193 0.3 1 182 13 13 U H1' H 5.581 0.03 1 183 13 13 U H2' H 4.486 0.03 1 184 13 13 U H3 H 9.890 0.03 1 185 13 13 U H3' H 4.355 0.03 1 186 13 13 U H4' H 4.227 0.03 1 187 13 13 U H5 H 5.773 0.03 1 188 13 13 U H5' H 4.465 0.03 1 189 13 13 U H5'' H 4.030 0.03 1 190 13 13 U H6 H 7.832 0.03 1 191 13 13 U C1' C 89.912 0.3 1 192 13 13 U C2' C 69.512 0.3 1 193 13 13 U C3' C 69.444 0.3 1 194 13 13 U C4' C 80.815 0.3 1 195 13 13 U C5 C 102.492 0.3 1 196 13 13 U C5' C 61.967 0.3 1 197 13 13 U C6 C 139.551 0.3 1 198 13 13 U N3 N 162.672 0.3 1 199 14 14 A H1' H 5.613 0.03 1 200 14 14 A H2 H 7.077 0.03 1 201 14 14 A H2' H 4.552 0.03 1 202 14 14 A H3' H 4.302 0.03 1 203 14 14 A H4' H 4.412 0.03 1 204 14 14 A H5' H 4.393 0.03 1 205 14 14 A H5'' H 4.425 0.03 1 206 14 14 A H8 H 7.062 0.03 1 207 14 14 A C1' C 90.200 0.3 1 208 14 14 A C2 C 150.050 0.3 1 209 14 14 A C2' C 71.104 0.3 1 210 14 14 A C3' C 69.485 0.3 1 211 14 14 A C4' C 81.797 0.3 1 212 14 14 A C5' C 62.264 0.3 1 213 14 14 A C8 C 133.253 0.3 1 214 15 15 G H1 H 12.063 0.03 1 215 15 15 G H1' H 5.886 0.03 1 216 15 15 G H2' H 4.518 0.03 1 217 15 15 G H3' H 4.438 0.03 1 218 15 15 G H4' H 4.464 0.03 1 219 15 15 G H5' H 4.409 0.03 1 220 15 15 G H5'' H 4.116 0.03 1 221 15 15 G H8 H 6.970 0.03 1 222 15 15 G C1' C 90.105 0.3 1 223 15 15 G C2' C 69.902 0.3 1 224 15 15 G C3' C 69.738 0.3 1 225 15 15 G C4' C 82.401 0.3 1 226 15 15 G C5' C 62.287 0.3 1 227 15 15 G C8 C 133.138 0.3 1 228 15 15 G N1 N 146.435 0.3 1 229 16 16 A H1' H 5.889 0.03 1 230 16 16 A H2 H 7.280 0.03 1 231 16 16 A H2' H 4.236 0.03 1 232 16 16 A H3' H 4.350 0.03 1 233 16 16 A H4' H 4.514 0.03 1 234 16 16 A H5' H 4.310 0.03 1 235 16 16 A H5'' H 4.310 0.03 1 236 16 16 A H8 H 7.520 0.03 1 237 16 16 A C1' C 90.401 0.3 1 238 16 16 A C2 C 150.468 0.3 1 239 16 16 A C2' C 69.449 0.3 1 240 16 16 A C3' C 69.950 0.3 1 241 16 16 A C4' C 82.773 0.3 1 242 16 16 A C5' C 62.367 0.3 1 243 16 16 A C8 C 134.322 0.3 1 244 17 17 G H1 H 12.201 0.03 1 245 17 17 G H1' H 5.837 0.03 1 246 17 17 G H2' H 4.417 0.03 1 247 17 17 G H3' H 4.406 0.03 1 248 17 17 G H4' H 4.260 0.03 1 249 17 17 G H5' H 4.273 0.03 1 250 17 17 G H5'' H 4.147 0.03 1 251 17 17 G H8 H 7.583 0.03 1 252 17 17 G C1' C 90.120 0.3 1 253 17 17 G C2' C 73.390 0.3 1 254 17 17 G C3' C 70.589 0.3 1 255 17 17 G C4' C 83.578 0.3 1 256 17 17 G C5' C 62.482 0.3 1 257 17 17 G C8 C 133.993 0.3 1 258 17 17 G N1 N 146.603 0.3 1 259 18 18 A H1' H 5.845 0.03 1 260 18 18 A H2 H 7.637 0.03 1 261 18 18 A H2' H 4.489 0.03 1 262 18 18 A H3' H 4.245 0.03 1 263 18 18 A H4' H 4.442 0.03 1 264 18 18 A H5' H 4.409 0.03 1 265 18 18 A H5'' H 4.116 0.03 1 266 18 18 A H8 H 7.253 0.03 1 267 18 18 A C1' C 90.503 0.3 1 268 18 18 A C2 C 150.788 0.3 1 269 18 18 A C2' C 70.511 0.3 1 270 18 18 A C3' C 71.000 0.3 1 271 18 18 A C4' C 79.576 0.3 1 272 18 18 A C5' C 62.514 0.3 1 273 18 18 A C8 C 134.027 0.3 1 274 19 19 G H1 H 10.077 0.03 1 275 19 19 G H1' H 5.786 0.03 1 276 19 19 G H2' H 4.410 0.03 1 277 19 19 G H3' H 4.192 0.03 1 278 19 19 G H4' H 4.383 0.03 1 279 19 19 G H5' H 4.273 0.03 1 280 19 19 G H5'' H 4.273 0.03 1 281 19 19 G H8 H 7.405 0.03 1 282 19 19 G C1' C 90.386 0.3 1 283 19 19 G C2' C 72.227 0.3 1 284 19 19 G C3' C 72.420 0.3 1 285 19 19 G C4' C 79.416 0.3 1 286 19 19 G C5' C 62.553 0.3 1 287 19 19 G C8 C 138.178 0.3 1 288 19 19 G N1 N 145.454 0.3 1 289 20 20 C H1' H 5.719 0.03 1 290 20 20 C H2' H 4.456 0.03 1 291 20 20 C H3' H 4.086 0.03 1 292 20 20 C H4' H 4.384 0.03 1 293 20 20 C H5 H 5.504 0.03 1 294 20 20 C H5' H 4.353 0.03 1 295 20 20 C H5'' H 3.974 0.03 1 296 20 20 C H6 H 7.764 0.03 1 297 20 20 C C1' C 90.105 0.3 1 298 20 20 C C2' C 72.758 0.3 1 299 20 20 C C3' C 74.750 0.3 1 300 20 20 C C4' C 79.249 0.3 1 301 20 20 C C5 C 94.564 0.3 1 302 20 20 C C5' C 62.834 0.3 1 303 20 20 C C6 C 139.957 0.3 1 304 21 21 A H1' H 5.659 0.03 1 305 21 21 A H2 H 7.464 0.03 1 306 21 21 A H2' H 4.485 0.03 1 307 21 21 A H8 H 7.512 0.03 1 308 21 21 A C1' C 90.768 0.3 1 309 21 21 A C2 C 150.545 0.3 1 310 21 21 A C2' C 72.742 0.3 1 311 21 21 A C8 C 136.297 0.3 1 312 22 22 G H1' H 5.617 0.03 1 313 22 22 G H2' H 4.430 0.03 1 314 22 22 G H8 H 7.306 0.03 1 315 22 22 G C1' C 90.706 0.3 1 316 22 22 G C2' C 72.797 0.3 1 317 22 22 G C8 C 136.268 0.3 1 318 23 23 A H1' H 5.558 0.03 1 319 23 23 A H2 H 7.957 0.03 1 320 23 23 A H2' H 4.669 0.03 1 321 23 23 A H3' H 4.111 0.03 1 322 23 23 A H4' H 4.347 0.03 1 323 23 23 A H5' H 4.197 0.03 1 324 23 23 A H5'' H 4.135 0.03 1 325 23 23 A H8 H 7.377 0.03 1 326 23 23 A C1' C 91.080 0.3 1 327 23 23 A C2' C 71.933 0.3 1 328 23 23 A C3' C 73.374 0.3 1 329 23 23 A C4' C 80.304 0.3 1 330 23 23 A C5' C 62.987 0.3 1 331 23 23 A C8 C 136.078 0.3 1 332 24 24 U H1' H 5.524 0.03 1 333 24 24 U H2' H 4.559 0.03 1 334 24 24 U H3 H 13.996 0.03 1 335 24 24 U H3' H 4.108 0.03 1 336 24 24 U H4' H 4.629 0.03 1 337 24 24 U H5 H 5.726 0.03 1 338 24 24 U H5' H 4.075 0.03 1 339 24 24 U H5'' H 3.891 0.03 1 340 24 24 U H6 H 7.846 0.03 1 341 24 24 U C1' C 90.877 0.3 1 342 24 24 U C2' C 72.964 0.3 1 343 24 24 U C3' C 73.023 0.3 1 344 24 24 U C4' C 79.317 0.3 1 345 24 24 U C5 C 102.376 0.03 1 346 24 24 U C5' C 63.120 0.3 1 347 24 24 U C6 C 139.302 0.03 1 348 24 24 U N3 N 163.064 0.3 1 349 25 25 C H1' H 5.484 0.03 1 350 25 25 C H2' H 4.685 0.03 1 351 25 25 C H3' H 4.040 0.03 1 352 25 25 C H4' H 4.314 0.03 1 353 25 25 C H5 H 5.389 0.03 1 354 25 25 C H5' H 4.396 0.03 1 355 25 25 C H5'' H 4.192 0.03 1 356 25 25 C H6 H 7.583 0.03 1 357 25 25 C H41 H 8.224 0.03 1 358 25 25 C H42 H 6.799 0.03 1 359 25 25 C C1' C 90.690 0.3 1 360 25 25 C C2' C 73.046 0.3 1 361 25 25 C C3' C 73.663 0.3 1 362 25 25 C C4' C 79.313 0.3 1 363 25 25 C C5 C 95.438 0.3 1 364 25 25 C C5' C 63.146 0.3 1 365 25 25 C C6 C 139.126 0.3 1 366 26 26 U H1' H 5.530 0.03 1 367 26 26 U H2' H 4.669 0.03 1 368 26 26 U H3 H 13.796 0.03 1 369 26 26 U H3' H 4.496 0.03 1 370 26 26 U H4' H 4.441 0.03 1 371 26 26 U H5 H 5.243 0.03 1 372 26 26 U H5' H 4.413 0.03 1 373 26 26 U H5'' H 4.033 0.03 1 374 26 26 U H6 H 7.346 0.03 1 375 26 26 U C1' C 91.478 0.3 1 376 26 26 U C2' C 73.4680 0.3 1 377 26 26 U C3' C 72.992 0.3 1 378 26 26 U C4' C 79.192 0.3 1 379 26 26 U C5 C 101.592 0.3 1 380 26 26 U C5' C 63.422 0.3 1 381 26 26 U C6 C 138.537 0.3 1 382 26 26 U N3 N 162.482 0.3 1 383 27 27 C H1' H 5.788 0.03 1 384 27 27 C H2' H 4.628 0.03 1 385 27 27 C H3' H 4.245 0.03 1 386 27 27 C H4' H 4.575 0.03 1 387 27 27 C H5 H 5.094 0.03 1 388 27 27 C H5' H 4.399 0.03 1 389 27 27 C H5'' H 4.151 0.03 1 390 27 27 C H6 H 7.389 0.03 1 391 27 27 C H41 H 7.960 0.03 1 392 27 27 C H42 H 6.627 0.03 1 393 27 27 C C1' C 88.954 0.3 1 394 27 27 C C2' C 73.441 0.3 1 395 27 27 C C3' C 68.318 0.3 1 396 27 27 C C4' C 79.625 0.3 1 397 27 27 C C5 C 94.283 0.3 1 398 27 27 C C5' C 63.539 0.3 1 399 27 27 C C6 C 138.003 0.3 1 400 28 28 U H1' H 5.816 0.03 1 401 28 28 U H2' H 4.628 0.03 1 402 28 28 U H3 H 12.905 0.03 1 403 28 28 U H3' H 4.171 0.03 1 404 28 28 U H4' H 4.540 0.03 1 405 28 28 U H5 H 5.148 0.03 1 406 28 28 U H5' H 4.342 0.03 1 407 28 28 U H5'' H 4.027 0.03 1 408 28 28 U H6 H 7.616 0.03 1 409 28 28 U C1' C 88.475 0.3 1 410 28 28 U C2' C 70.688 0.3 1 411 28 28 U C3' C 71.026 0.3 1 412 28 28 U C4' C 79.344 0.3 1 413 28 28 U C5 C 100.371 0.3 1 414 28 28 U C5' C 63.953 0.3 1 415 28 28 U C6 C 135.000 0.3 1 416 28 28 U N3 N 160.901 0.3 1 417 29 29 G H1 H 10.099 0.03 1 418 29 29 G H1' H 5.494 0.03 1 419 29 29 G H2' H 4.482 0.03 1 420 29 29 G H3' H 4.254 0.03 1 421 29 29 G H4' H 4.481 0.03 1 422 29 29 G H5' H 4.299 0.03 1 423 29 29 G H5'' H 4.206 0.03 1 424 29 29 G H8 H 7.662 0.03 1 425 29 29 G C1' C 85.057 0.3 1 426 29 29 G C2' C 73.458 0.3 1 427 29 29 G C3' C 71.018 0.3 1 428 29 29 G C4' C 80.647 0.3 1 429 29 29 G C5' C 63.977 0.3 1 430 29 29 G C8 C 136.719 0.3 1 431 29 29 G N1 N 145.825 0.3 1 432 30 30 G H1' H 5.731 0.03 1 433 30 30 G H2' H 4.764 0.03 1 434 30 30 G H3' H 4.121 0.03 1 435 30 30 G H4' H 4.126 0.03 1 436 30 30 G H5' H 4.446 0.03 1 437 30 30 G H5'' H 4.231 0.03 1 438 30 30 G H8 H 7.749 0.03 1 439 30 30 G C1' C 87.347 0.3 1 440 30 30 G C2' C 71.061 0.3 1 441 30 30 G C3' C 69.824 0.3 1 442 30 30 G C4' C 80.124 0.3 1 443 30 30 G C5' C 64.168 0.3 1 444 30 30 G C8 C 136.339 0.3 1 445 31 31 A H1' H 5.804 0.03 1 446 31 31 A H2 H 8.002 0.03 1 447 31 31 A H2' H 4.424 0.03 1 448 31 31 A H3' H 4.380 0.03 1 449 31 31 A H4' H 4.085 0.03 1 450 31 31 A H5' H 4.387 0.03 1 451 31 31 A H5'' H 4.146 0.03 1 452 31 31 A H8 H 7.988 0.03 1 453 31 31 A C1' C 87.651 0.3 1 454 31 31 A C2 C 151.990 0.3 1 455 31 31 A C2' C 71.116 0.3 1 456 31 31 A C3' C 69.847 0.3 1 457 31 31 A C4' C 81.833 0.3 1 458 31 31 A C5' C 64.309 0.3 1 459 31 31 A C8 C 137.382 0.3 1 460 32 32 A H1' H 5.917 0.03 1 461 32 32 A H2 H 7.783 0.03 1 462 32 32 A H2' H 4.461 0.03 1 463 32 32 A H3' H 4.677 0.03 1 464 32 32 A H4' H 4.347 0.03 1 465 32 32 A H5' H 4.102 0.03 1 466 32 32 A H5'' H 4.026 0.03 1 467 32 32 A H8 H 7.696 0.03 1 468 32 32 A C1' C 89.094 0.3 1 469 32 32 A C2 C 152.006 0.3 1 470 32 32 A C2' C 72.641 0.3 1 471 32 32 A C3' C 72.906 0.3 1 472 32 32 A C4' C 80.819 0.3 1 473 32 32 A C5' C 64.332 0.3 1 474 32 32 A C8 C 140.987 0.3 1 475 33 33 A H1' H 5.876 0.03 1 476 33 33 A H2 H 7.016 0.03 1 477 33 33 A H2' H 4.228 0.03 1 478 33 33 A H3' H 4.356 0.03 1 479 33 33 A H4' H 4.438 0.03 1 480 33 33 A H5' H 4.365 0.03 1 481 33 33 A H5'' H 4.074 0.03 1 482 33 33 A H8 H 7.352 0.03 1 483 33 33 A C1' C 89.481 0.3 1 484 33 33 A C2 C 149.975 0.3 1 485 33 33 A C2' C 69.842 0.3 1 486 33 33 A C3' C 73.000 0.3 1 487 33 33 A C4' C 82.481 0.3 1 488 33 33 A C5' C 64.357 0.3 1 489 33 33 A C8 C 137.341 0.3 1 490 34 34 A H1' H 5.769 0.03 1 491 34 34 A H2 H 6.980 0.03 1 492 34 34 A H2' H 4.644 0.03 1 493 34 34 A H3' H 4.163 0.03 1 494 34 34 A H4' H 4.061 0.03 1 495 34 34 A H5' H 4.325 0.03 1 496 34 34 A H5'' H 4.002 0.03 1 497 34 34 A H8 H 8.084 0.03 1 498 34 34 A C1' C 91.328 0.3 1 499 34 34 A C2 C 149.961 0.3 1 500 34 34 A C2' C 72.518 0.3 1 501 34 34 A C3' C 72.672 0.3 1 502 34 34 A C4' C 82.262 0.3 1 503 34 34 A C5' C 64.433 0.3 1 504 34 34 A C8 C 139.068 0.3 1 505 35 35 A H1' H 5.876 0.03 1 506 35 35 A H2 H 7.697 0.03 1 507 35 35 A H2' H 4.691 0.03 1 508 35 35 A H3' H 4.846 0.03 1 509 35 35 A H4' H 4.587 0.03 1 510 35 35 A H5' H 4.306 0.03 1 511 35 35 A H5'' H 4.087 0.03 1 512 35 35 A H8 H 7.607 0.03 1 513 35 35 A C1' C 88.926 0.3 1 514 35 35 A C2 C 151.210 0.3 1 515 35 35 A C2' C 69.441 0.3 1 516 35 35 A C3' C 74.717 0.3 1 517 35 35 A C4' C 80.819 0.3 1 518 35 35 A C5' C 64.516 0.3 1 519 35 35 A C8 C 138.386 0.3 1 520 36 36 U H1' H 5.559 0.03 1 521 36 36 U H2' H 4.265 0.03 1 522 36 36 U H3 H 11.307 0.03 1 523 36 36 U H3' H 3.862 0.03 1 524 36 36 U H4' H 4.556 0.03 1 525 36 36 U H5 H 5.312 0.03 1 526 36 36 U H5' H 4.355 0.03 1 527 36 36 U H5'' H 4.218 0.03 1 528 36 36 U H6 H 7.842 0.03 1 529 36 36 U C1' C 91.283 0.3 1 530 36 36 U C2' C 72.368 0.3 1 531 36 36 U C3' C 72.329 0.3 1 532 36 36 U C4' C 79.859 0.3 1 533 36 36 U C5 C 100.429 0.3 1 534 36 36 U C5' C 64.698 0.3 1 535 36 36 U C6 C 137.996 0.3 1 536 36 36 U N3 N 158.333 0.3 1 537 37 37 G H1 H 9.853 0.03 1 538 37 37 G H1' H 5.604 0.03 1 539 37 37 G H2' H 4.422 0.03 1 540 37 37 G H3' H 4.956 0.03 1 541 37 37 G H4' H 4.286 0.03 1 542 37 37 G H5' H 4.235 0.03 1 543 37 37 G H5'' H 3.963 0.03 1 544 37 37 G H8 H 8.084 0.03 1 545 37 37 G C1' C 91.244 0.3 1 546 37 37 G C2' C 72.572 0.3 1 547 37 37 G C3' C 73.437 0.3 1 548 37 37 G C4' C 79.609 0.3 1 549 37 37 G C5' C 64.909 0.3 1 550 37 37 G C8 C 136.430 0.3 1 551 37 37 G N1 N 144.814 0.3 1 552 38 38 A H1' H 5.395 0.03 1 553 38 38 A H2 H 7.151 0.03 1 554 38 38 A H2' H 4.298 0.03 1 555 38 38 A H3' H 4.446 0.03 1 556 38 38 A H4' H 4.509 0.03 1 557 38 38 A H5' H 4.355 0.03 1 558 38 38 A H5'' H 4.218 0.03 1 559 38 38 A H8 H 7.951 0.03 1 560 38 38 A C1' C 91.143 0.3 1 561 38 38 A C2 C 150.413 0.3 1 562 38 38 A C2' C 72.814 0.3 1 563 38 38 A C3' C 69.395 0.3 1 564 38 38 A C4' C 82.082 0.3 1 565 38 38 A C5' C 64.917 0.3 1 566 38 38 A C8 C 137.705 0.3 1 567 39 39 A H1' H 5.385 0.03 1 568 39 39 A H2 H 7.729 0.03 1 569 39 39 A H2' H 4.660 0.03 1 570 39 39 A H3' H 4.351 0.03 1 571 39 39 A H4' H 4.364 0.03 1 572 39 39 A H5' H 4.323 0.03 1 573 39 39 A H5'' H 4.187 0.03 1 574 39 39 A H8 H 7.857 0.03 1 575 39 39 A C1' C 90.300 0.3 1 576 39 39 A C2 C 151.225 0.3 1 577 39 39 A C2' C 72.689 0.3 1 578 39 39 A C3' C 70.042 0.3 1 579 39 39 A C4' C 79.344 0.3 1 580 39 39 A C5' C 64.940 0.3 1 581 39 39 A C8 C 138.724 0.3 1 582 40 40 C H1' H 5.862 0.03 1 583 40 40 C H2' H 4.270 0.03 1 584 40 40 C H3' H 4.348 0.03 1 585 40 40 C H4' H 4.377 0.03 1 586 40 40 C H5 H 5.662 0.03 1 587 40 40 C H5' H 4.323 0.03 1 588 40 40 C H5'' H 4.187 0.03 1 589 40 40 C H6 H 7.783 0.03 1 590 40 40 C H41 H 8.228 0.03 1 591 40 40 C H42 H 6.826 0.03 1 592 40 40 C C1' C 88.774 0.3 1 593 40 40 C C2' C 70.176 0.3 1 594 40 40 C C3' C 70.565 0.3 1 595 40 40 C C4' C 81.068 0.3 1 596 40 40 C C5 C 94.954 0.3 1 597 40 40 C C5' C 64.979 0.3 1 598 40 40 C C6 C 139.751 0.3 1 599 41 41 C H1' H 5.861 0.03 1 600 41 41 C H2' H 3.723 0.03 1 601 41 41 C H3' H 4.539 0.03 1 602 41 41 C H4' H 4.377 0.03 1 603 41 41 C H5 H 5.519 0.03 1 604 41 41 C H6 H 7.733 0.03 1 605 41 41 C C1' C 88.197 0.3 1 606 41 41 C C2' C 72.787 0.3 1 607 41 41 C C3' C 69.208 0.3 1 608 41 41 C C4' C 81.997 0.3 1 609 41 41 C C5 C 94.595 0.3 1 610 41 41 C C6 C 139.021 0.3 1 stop_ save_