data_30788 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The FARFAR-NMR Ensemble of 29-mer HIV-1 Trans-activation Response Element RNA (N=20) ; _BMRB_accession_number 30788 _BMRB_flat_file_name bmr30788.str _Entry_type original _Submission_date 2020-08-18 _Accession_date 2020-08-18 _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 Shi H. . . 2 Rangadurai A. . . 3 Roy R. . . 4 Yesselman J. D. . 5 Al-Hashimi H. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 222 "13C chemical shifts" 191 "15N chemical shifts" 8 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-05 original BMRB . stop_ _Original_release_date 2020-09-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction ; _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 Shi H. . . 2 Rangadurai A. . . 3 Abou-Assi H. . . 4 Roy R. . . 5 Case D. A. . 6 Herschlag D. . . 7 Yesselman J. D. . 8 Al-Hashimi H. M. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'RNA (29-MER)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_1 _Molecular_mass 9307.555 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; GGCAGAUCUGAGCCUGGGAG CUCUCUGCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 A 5 G 6 A 7 U 8 C 9 U 10 G 11 A 12 G 13 C 14 C 15 U 16 G 17 G 18 G 19 A 20 G 21 C 22 U 23 C 24 U 25 C 26 U 27 G 28 C 29 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 $entity_1 HIV-1 11676 Viruses . Lentivirus HIV-1 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM 13C,15N mtTAR_E0, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.0 mM 13C,15N mtTAR_EI22, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1.0 mM 13C,15N mtTAR_EII22, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '1.0 mM 13C,15N mtTAR_EI3, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_TROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_1 save_ save_2D_1H-13C_TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_4 save_ save_2D_1H-13C_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_3 save_ save_2D_1H-13C_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_2 save_ save_2D_1H-13C_S3CT_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C S3CT HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_S3CT_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C S3CT HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_S3CT_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C S3CT HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_S3CT_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C S3CT HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_without_decoupling_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC without decoupling' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_without_decoupling_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC without decoupling' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_without_decoupling_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC without decoupling' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_without_decoupling_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC without decoupling' _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' 25 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-13C TROSY' '2D 1H-13C S3CT HSQC' '2D 1H-15N HSQC' '2D 1H-15N HSQC without decoupling' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_1 _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 17 1 G H1' H 5.819 . . 2 17 1 G H2' H 4.945 . . 3 17 1 G H3' H 4.726 . . 4 17 1 G H4' H 4.565 . . 5 17 1 G H8 H 8.133 . . 6 17 1 G C1' C 91.110 . . 7 17 1 G C2' C 74.965 . . 8 17 1 G C3' C 75.003 . . 9 17 1 G C4' C 83.598 . . 10 17 1 G C5' C 67.436 . . 11 17 1 G C8 C 139.054 . . 12 18 2 G H1 H 13.275 . . 13 18 2 G H1' H 5.908 . . 14 18 2 G H2' H 4.562 . . 15 18 2 G H3' H 4.558 . . 16 18 2 G H4' H 4.555 . . 17 18 2 G H8 H 7.628 . . 18 18 2 G C1' C 93.020 . . 19 18 2 G C2' C 75.317 . . 20 18 2 G C3' C 73.136 . . 21 18 2 G C4' C 82.610 . . 22 18 2 G C8 C 136.892 . . 23 18 2 G N1 N 148.500 . . 24 19 3 C H1' H 5.511 . . 25 19 3 C H2' H 4.555 . . 26 19 3 C H3' H 4.521 . . 27 19 3 C H4' H 4.435 . . 28 19 3 C H5 H 5.255 . . 29 19 3 C H5' H 4.570 . . 30 19 3 C H5'' H 4.106 . . 31 19 3 C H6 H 7.657 . . 32 19 3 C C1' C 93.807 . . 33 19 3 C C2' C 75.385 . . 34 19 3 C C3' C 72.215 . . 35 19 3 C C4' C 81.835 . . 36 19 3 C C5 C 97.419 . . 37 19 3 C C5' C 64.532 . . 38 19 3 C C6 C 140.653 . . 39 20 4 A H1' H 5.939 . . 40 20 4 A H2 H 6.999 . . 41 20 4 A H2' H 4.687 . . 42 20 4 A H3' H 4.655 . . 43 20 4 A H4' H 4.487 . . 44 20 4 A H5' H 4.530 . . 45 20 4 A H5'' H 4.148 . . 46 20 4 A H8 H 7.944 . . 47 20 4 A C1' C 92.944 . . 48 20 4 A C2 C 152.435 . . 49 20 4 A C2' C 75.784 . . 50 20 4 A C3' C 73.065 . . 51 20 4 A C4' C 81.947 . . 52 20 4 A C5' C 65.441 . . 53 20 4 A C8 C 139.339 . . 54 21 5 G H1 H 12.614 . . 55 21 5 G H1' H 5.492 . . 56 21 5 G H2' H 4.458 . . 57 21 5 G H3' H 4.376 . . 58 21 5 G H4' H 4.430 . . 59 21 5 G H5' H 4.411 . . 60 21 5 G H5'' H 4.034 . . 61 21 5 G H8 H 7.054 . . 62 21 5 G C1' C 92.625 . . 63 21 5 G C2' C 75.423 . . 64 21 5 G C3' C 73.319 . . 65 21 5 G C4' C 82.214 . . 66 21 5 G C5' C 66.272 . . 67 21 5 G C8 C 135.963 . . 68 21 5 G N1 N 147.240 . . 69 22 6 A H1' H 5.880 . . 70 22 6 A H2 H 7.561 . . 71 22 6 A H2' H 4.379 . . 72 22 6 A H3' H 4.431 . . 73 22 6 A H4' H 4.433 . . 74 22 6 A H5' H 4.427 . . 75 22 6 A H5'' H 4.046 . . 76 22 6 A H8 H 7.598 . . 77 22 6 A C1' C 92.441 . . 78 22 6 A C2 C 154.308 . . 79 22 6 A C2' C 76.076 . . 80 22 6 A C3' C 73.983 . . 81 22 6 A C4' C 83.239 . . 82 22 6 A C5' C 65.748 . . 83 22 6 A C8 C 139.572 . . 84 23 7 U H1' H 5.589 . . 85 23 7 U H2' H 4.119 . . 86 23 7 U H3' H 4.485 . . 87 23 7 U H4' H 4.360 . . 88 23 7 U H5 H 5.323 . . 89 23 7 U H5' H 4.031 . . 90 23 7 U H5'' H 4.248 . . 91 23 7 U H6 H 7.417 . . 92 23 7 U C1' C 90.829 . . 93 23 7 U C2' C 75.733 . . 94 23 7 U C3' C 76.180 . . 95 23 7 U C4' C 84.329 . . 96 23 7 U C5 C 104.471 . . 97 23 7 U C5' C 66.514 . . 98 23 7 U C6 C 142.006 . . 99 24 8 C H1' H 5.788 . . 100 24 8 C H2' H 4.332 . . 101 24 8 C H3' H 4.492 . . 102 24 8 C H4' H 4.357 . . 103 24 8 C H5 H 5.874 . . 104 24 8 C H5' H 4.085 . . 105 24 8 C H5'' H 4.208 . . 106 24 8 C H6 H 7.757 . . 107 24 8 C C1' C 92.183 . . 108 24 8 C C2' C 75.904 . . 109 24 8 C C3' C 75.703 . . 110 24 8 C C4' C 83.907 . . 111 24 8 C C5 C 98.575 . . 112 24 8 C C5' C 67.024 . . 113 24 8 C C6 C 143.334 . . 114 25 9 U H1' H 5.777 . . 115 25 9 U H2' H 4.518 . . 116 25 9 U H3' H 4.579 . . 117 25 9 U H4' H 4.464 . . 118 25 9 U H5 H 5.796 . . 119 25 9 U H5' H 4.294 . . 120 25 9 U H5'' H 4.138 . . 121 25 9 U H6 H 7.845 . . 122 25 9 U C1' C 92.197 . . 123 25 9 U C2' C 75.396 . . 124 25 9 U C3' C 75.004 . . 125 25 9 U C4' C 83.874 . . 126 25 9 U C5 C 104.697 . . 127 25 9 U C5' C 66.736 . . 128 25 9 U C6 C 143.114 . . 129 26 10 G H1 H 12.436 . . 130 26 10 G H1' H 5.803 . . 131 26 10 G H2' H 4.788 . . 132 26 10 G H3' H 4.679 . . 133 26 10 G H4' H 4.530 . . 134 26 10 G H5' H 4.423 . . 135 26 10 G H5'' H 4.199 . . 136 26 10 G H8 H 7.850 . . 137 26 10 G C1' C 92.127 . . 138 26 10 G C2' C 75.442 . . 139 26 10 G C3' C 74.187 . . 140 26 10 G C4' C 82.808 . . 141 26 10 G C5' C 66.654 . . 142 26 10 G C8 C 137.523 . . 143 26 10 G N1 N 147.385 . . 144 27 11 A H1' H 6.038 . . 145 27 11 A H2 H 7.544 . . 146 27 11 A H2' H 4.803 . . 147 27 11 A H3' H 4.668 . . 148 27 11 A H4' H 4.582 . . 149 27 11 A H5' H 4.548 . . 150 27 11 A H5'' H 4.246 . . 151 27 11 A H8 H 7.873 . . 152 27 11 A C1' C 93.065 . . 153 27 11 A C2 C 153.442 . . 154 27 11 A C2' C 75.646 . . 155 27 11 A C3' C 73.390 . . 156 27 11 A C4' C 82.395 . . 157 27 11 A C5' C 66.107 . . 158 27 11 A C8 C 139.842 . . 159 28 12 G H1 H 13.515 . . 160 28 12 G H1' H 5.682 . . 161 28 12 G H2' H 4.494 . . 162 28 12 G H3' H 4.408 . . 163 28 12 G H4' H 4.496 . . 164 28 12 G H5' H 4.482 . . 165 28 12 G H5'' H 4.091 . . 166 28 12 G H8 H 7.235 . . 167 28 12 G C1' C 92.872 . . 168 28 12 G C2' C 75.303 . . 169 28 12 G C3' C 72.944 . . 170 28 12 G C4' C 82.048 . . 171 28 12 G C5' C 65.865 . . 172 28 12 G C8 C 135.701 . . 173 28 12 G N1 N 148.533 . . 174 29 13 C H1' H 5.500 . . 175 29 13 C H2' H 4.251 . . 176 29 13 C H3' H 4.417 . . 177 29 13 C H4' H 4.382 . . 178 29 13 C H5 H 5.150 . . 179 29 13 C H5' H 4.564 . . 180 29 13 C H5'' H 4.057 . . 181 29 13 C H6 H 7.531 . . 182 29 13 C C1' C 94.451 . . 183 29 13 C C2' C 75.470 . . 184 29 13 C C3' C 72.117 . . 185 29 13 C C4' C 82.057 . . 186 29 13 C C5 C 97.185 . . 187 29 13 C C5' C 64.358 . . 188 29 13 C C6 C 140.884 . . 189 30 14 C H1' H 5.887 . . 190 30 14 C H2' H 4.483 . . 191 30 14 C H3' H 4.401 . . 192 30 14 C H4' H 4.370 . . 193 30 14 C H5 H 5.546 . . 194 30 14 C H5' H 4.449 . . 195 30 14 C H5'' H 4.058 . . 196 30 14 C H6 H 7.655 . . 197 30 14 C C1' C 91.879 . . 198 30 14 C C2' C 75.377 . . 199 30 14 C C3' C 75.879 . . 200 30 14 C C4' C 83.868 . . 201 30 14 C C5 C 98.766 . . 202 30 14 C C5' C 65.867 . . 203 30 14 C C6 C 141.933 . . 204 31 15 U H1' H 5.729 . . 205 31 15 U H2' H 4.281 . . 206 31 15 U H3' H 4.511 . . 207 31 15 U H4' H 4.257 . . 208 31 15 U H5 H 5.788 . . 209 31 15 U H5' H 3.977 . . 210 31 15 U H6 H 7.753 . . 211 31 15 U C1' C 90.985 . . 212 31 15 U C2' C 75.580 . . 213 31 15 U C3' C 76.442 . . 214 31 15 U C4' C 84.819 . . 215 31 15 U C5 C 105.197 . . 216 31 15 U C5' C 67.304 . . 217 31 15 U C6 C 143.380 . . 218 32 16 G H1' H 5.495 . . 219 32 16 G H2' H 4.635 . . 220 32 16 G H3' H 4.625 . . 221 32 16 G H4' H 4.123 . . 222 32 16 G H5' H 4.002 . . 223 32 16 G H8 H 7.802 . . 224 32 16 G C1' C 89.535 . . 225 32 16 G C2' C 75.323 . . 226 32 16 G C3' C 77.803 . . 227 32 16 G C4' C 85.181 . . 228 32 16 G C5' C 67.794 . . 229 32 16 G C8 C 140.596 . . 230 33 17 G H1' H 5.515 . . 231 33 17 G H2' H 4.521 . . 232 33 17 G H3' H 4.663 . . 233 33 17 G H4' H 4.004 . . 234 33 17 G H5' H 3.896 . . 235 33 17 G H8 H 7.650 . . 236 33 17 G C1' C 89.889 . . 237 33 17 G C2' C 75.768 . . 238 33 17 G C3' C 77.286 . . 239 33 17 G C4' C 84.738 . . 240 33 17 G C5' C 67.814 . . 241 33 17 G C8 C 139.519 . . 242 34 18 G H1' H 5.941 . . 243 34 18 G H2' H 4.960 . . 244 34 18 G H3' H 5.001 . . 245 34 18 G H4' H 4.500 . . 246 34 18 G H5' H 4.125 . . 247 34 18 G H5'' H 4.222 . . 248 34 18 G H8 H 7.902 . . 249 34 18 G C1' C 89.374 . . 250 34 18 G C2' C 75.679 . . 251 34 18 G C3' C 76.405 . . 252 34 18 G C4' C 84.546 . . 253 34 18 G C5' C 67.577 . . 254 34 18 G C8 C 138.930 . . 255 35 19 A H1' H 6.050 . . 256 35 19 A H2 H 8.232 . . 257 35 19 A H2' H 4.869 . . 258 35 19 A H3' H 4.918 . . 259 35 19 A H4' H 4.625 . . 260 35 19 A H5' H 4.357 . . 261 35 19 A H8 H 8.424 . . 262 35 19 A C1' C 90.735 . . 263 35 19 A C2' C 76.205 . . 264 35 19 A C3' C 75.857 . . 265 35 19 A C4' C 85.084 . . 266 35 19 A C5' C 68.255 . . 267 35 19 A C8 C 142.601 . . 268 36 20 G H1 H 13.240 . . 269 36 20 G H1' H 5.503 . . 270 36 20 G H2' H 4.558 . . 271 36 20 G H3' H 4.472 . . 272 36 20 G H4' H 4.520 . . 273 36 20 G H5' H 4.475 . . 274 36 20 G H5'' H 4.183 . . 275 36 20 G H8 H 7.417 . . 276 36 20 G C1' C 93.398 . . 277 36 20 G C2' C 74.935 . . 278 36 20 G C3' C 73.417 . . 279 36 20 G C4' C 82.904 . . 280 36 20 G C5' C 66.350 . . 281 36 20 G C8 C 136.810 . . 282 36 20 G N1 N 148.579 . . 283 37 21 C H1' H 5.572 . . 284 37 21 C H2' H 4.381 . . 285 37 21 C H3' H 4.500 . . 286 37 21 C H4' H 4.447 . . 287 37 21 C H5 H 5.255 . . 288 37 21 C H5' H 4.582 . . 289 37 21 C H5'' H 4.090 . . 290 37 21 C H6 H 7.789 . . 291 37 21 C C1' C 94.070 . . 292 37 21 C C2' C 75.469 . . 293 37 21 C C3' C 72.050 . . 294 37 21 C C4' C 81.943 . . 295 37 21 C C5 C 96.808 . . 296 37 21 C C5' C 64.357 . . 297 37 21 C C6 C 141.464 . . 298 38 22 U H1' H 5.603 . . 299 38 22 U H2' H 4.550 . . 300 38 22 U H3 H 14.010 . . 301 38 22 U H3' H 4.529 . . 302 38 22 U H4' H 4.439 . . 303 38 22 U H5 H 5.433 . . 304 38 22 U H5' H 4.573 . . 305 38 22 U H5'' H 4.108 . . 306 38 22 U H6 H 7.897 . . 307 38 22 U C1' C 93.770 . . 308 38 22 U C2' C 75.392 . . 309 38 22 U C3' C 72.300 . . 310 38 22 U C4' C 82.052 . . 311 38 22 U C5 C 103.339 . . 312 38 22 U C5' C 64.480 . . 313 38 22 U C6 C 142.062 . . 314 38 22 U N3 N 162.438 . . 315 39 23 C H1' H 5.625 . . 316 39 23 C H2' H 4.376 . . 317 39 23 C H3' H 4.349 . . 318 39 23 C H4' H 4.473 . . 319 39 23 C H5 H 5.666 . . 320 39 23 C H5' H 4.500 . . 321 39 23 C H5'' H 4.121 . . 322 39 23 C H6 H 7.743 . . 323 39 23 C C1' C 93.927 . . 324 39 23 C C2' C 75.806 . . 325 39 23 C C3' C 73.080 . . 326 39 23 C C4' C 82.365 . . 327 39 23 C C5 C 97.966 . . 328 39 23 C C5' C 65.598 . . 329 39 23 C C6 C 141.538 . . 330 40 24 U H1' H 5.669 . . 331 40 24 U H2' H 4.333 . . 332 40 24 U H3' H 4.561 . . 333 40 24 U H4' H 4.410 . . 334 40 24 U H5 H 5.640 . . 335 40 24 U H5' H 4.472 . . 336 40 24 U H5'' H 4.133 . . 337 40 24 U H6 H 7.832 . . 338 40 24 U C1' C 93.123 . . 339 40 24 U C2' C 75.668 . . 340 40 24 U C3' C 73.363 . . 341 40 24 U C4' C 83.295 . . 342 40 24 U C5 C 104.433 . . 343 40 24 U C5' C 65.175 . . 344 40 24 U C6 C 141.880 . . 345 41 25 C H1' H 5.493 . . 346 41 25 C H2' H 4.377 . . 347 41 25 C H3' H 4.471 . . 348 41 25 C H4' H 4.451 . . 349 41 25 C H5 H 5.897 . . 350 41 25 C H5' H 4.433 . . 351 41 25 C H5'' H 4.139 . . 352 41 25 C H6 H 7.976 . . 353 41 25 C C1' C 94.103 . . 354 41 25 C C2' C 75.356 . . 355 41 25 C C3' C 72.903 . . 356 41 25 C C4' C 82.362 . . 357 41 25 C C5 C 98.201 . . 358 41 25 C C5' C 65.407 . . 359 41 25 C C6 C 142.340 . . 360 42 26 U H1' H 5.489 . . 361 42 26 U H2' H 4.598 . . 362 42 26 U H3 H 13.326 . . 363 42 26 U H3' H 4.607 . . 364 42 26 U H4' H 4.444 . . 365 42 26 U H5 H 5.443 . . 366 42 26 U H5' H 4.558 . . 367 42 26 U H5'' H 4.127 . . 368 42 26 U H6 H 7.874 . . 369 42 26 U C1' C 93.604 . . 370 42 26 U C2' C 75.133 . . 371 42 26 U C3' C 72.595 . . 372 42 26 U C4' C 82.155 . . 373 42 26 U C5 C 103.700 . . 374 42 26 U C5' C 64.835 . . 375 42 26 U C6 C 141.944 . . 376 42 26 U N3 N 162.169 . . 377 43 27 G H1 H 12.510 . . 378 43 27 G H1' H 5.793 . . 379 43 27 G H2' H 4.488 . . 380 43 27 G H3' H 4.608 . . 381 43 27 G H4' H 4.482 . . 382 43 27 G H5' H 4.536 . . 383 43 27 G H5'' H 4.143 . . 384 43 27 G H8 H 7.776 . . 385 43 27 G C1' C 92.765 . . 386 43 27 G C2' C 75.355 . . 387 43 27 G C3' C 72.741 . . 388 43 27 G C4' C 81.997 . . 389 43 27 G C5' C 65.303 . . 390 43 27 G C8 C 136.389 . . 391 43 27 G N1 N 147.762 . . 392 44 28 C H1' H 5.469 . . 393 44 28 C H2' H 4.217 . . 394 44 28 C H3' H 4.433 . . 395 44 28 C H4' H 4.380 . . 396 44 28 C H5 H 5.204 . . 397 44 28 C H5' H 4.562 . . 398 44 28 C H5'' H 4.057 . . 399 44 28 C H6 H 7.664 . . 400 44 28 C C1' C 94.100 . . 401 44 28 C C2' C 75.559 . . 402 44 28 C C3' C 71.981 . . 403 44 28 C C4' C 81.912 . . 404 44 28 C C5 C 96.905 . . 405 44 28 C C5' C 64.358 . . 406 44 28 C C6 C 141.000 . . 407 45 29 C H1' H 5.747 . . 408 45 29 C H2' H 3.996 . . 409 45 29 C H3' H 4.161 . . 410 45 29 C H4' H 4.151 . . 411 45 29 C H5 H 5.505 . . 412 45 29 C H5' H 4.466 . . 413 45 29 C H5'' H 4.016 . . 414 45 29 C H6 H 7.650 . . 415 45 29 C C1' C 92.926 . . 416 45 29 C C2' C 77.548 . . 417 45 29 C C3' C 69.655 . . 418 45 29 C C4' C 83.387 . . 419 45 29 C C5 C 98.174 . . 420 45 29 C C5' C 65.085 . . 421 45 29 C C6 C 141.719 . . stop_ save_