data_34311 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RNA duplex formed by the 5'-end of U1snRNA and the 5'-splice site of SMN2 exon7 ; _BMRB_accession_number 34311 _BMRB_flat_file_name bmr34311.str _Entry_type original _Submission_date 2018-09-12 _Accession_date 2018-09-12 _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 Campagne S. . . 2 Allain F. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 173 "13C chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-17 update BMRB 'update entry citation' 2019-08-07 original author 'original release' stop_ _Original_release_date 2019-08-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of a small molecule targeting RNA for a specific splicing correction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31636429 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campagne Sebastien . . 2 Boigner Sarah . . 3 Rudisser Simon . . 4 Moursy Ahmed . . 5 Gillioz Laurent . . 6 Knorlein Anna . . 7 Hall Jonathan . . 8 Ratni Hasane . . 9 Clery Antoine . . 10 Allain 'Frederic H-T' H. . stop_ _Journal_abbreviation 'Nat. Chem. Biol.' _Journal_name_full 'Nature chemical biology' _Journal_volume 15 _Journal_issue 12 _Journal_ISSN 1552-4469 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1191 _Page_last 1198 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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 3428.074 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence ; AUACXXACCUG ; loop_ _Residue_seq_code _Residue_label 1 A 2 U 3 A 4 C 5 PSU 6 PSU 7 A 8 C 9 C 10 U 11 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_2 _Molecular_mass 3547.162 _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence ; GGAGUAAGUCU ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 U 6 A 7 A 8 G 9 U 10 C 11 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_PSU _Saveframe_category polymer_residue _Mol_type 'RNA LINKING' _Name_common PSEUDOURIDINE-5'-MONOPHOSPHATE _BMRB_code PSU _PDB_code PSU _Standard_residue_derivative . _Molecular_mass 324.181 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O2 O2 O . 0 . ? O4 O4 O . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? C4' C4' C . 0 . ? O3' O3' O . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 O . 0 . ? HN1 HN1 H . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? HO3' HO3' H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? SING N1 C6 ? ? SING N1 HN1 ? ? SING C2 N3 ? ? DOUB C2 O2 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? SING C4 C5 ? ? DOUB C4 O4 ? ? DOUB C5 C6 ? ? SING C5 C1' ? ? SING C6 H6 ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' C4' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O3' HO3' ? ? SING C5' O5' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING O5' P ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P OP3 ? ? SING OP2 HOP2 ? ? SING OP3 HOP3 ? ? stop_ 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 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 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 'recombinant technology' . synthetic construct . . $entity_2 'recombinant technology' . synthetic construct . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '10 mM deuterated MES, 50 mM unlabelled NaCl, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM 'natural abundance' $entity_2 2 mM 'natural abundance' MES 10 mM [U-2H] NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '10 mM deuterated MES, 50 mM unlabelled NaCl, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM 'natural abundance' $entity_2 2 mM 'natural abundance' MES 10 mM [U-2H] NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Amber _Version 12 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'peak picking' 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model '900 AVANCE' _Field_strength 900 _Details cryo-probbed save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model '600 AVANCE' _Field_strength 600 _Details cryo-probbed 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-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 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' 50 . mM pH 5.5 . pH pressure 1 . atm temperature 293 . 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 . internal indirect . . . . DSS H 1 'methyl protons' ppm -0.16 internal direct . . . 0.99 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 1 1 A H1' H 5.806 0.020 1 2 1 1 A H2 H 8.016 0.020 1 3 1 1 A H2' H 4.674 0.020 1 4 1 1 A H3' H 4.697 0.020 1 5 1 1 A H4' H 4.290 0.020 1 6 1 1 A H5' H 3.886 0.020 2 7 1 1 A H5'' H 3.816 0.020 2 8 1 1 A H8 H 8.139 0.020 1 9 1 1 A C1' C 90.942 0.3 1 10 1 1 A C2 C 153.152 0.3 1 11 1 1 A C2' C 76.118 0.3 1 12 1 1 A C3' C 77.222 0.3 1 13 1 1 A C4' C 87.066 0.3 1 14 1 1 A C5' C 63.435 0.3 1 15 1 1 A C8 C 143.117 0.3 1 16 2 2 U H1' H 5.924 0.020 1 17 2 2 U H2' H 4.507 0.020 1 18 2 2 U H3' H 4.636 0.020 1 19 2 2 U H4' H 4.500 0.020 1 20 2 2 U H5 H 5.828 0.020 1 21 2 2 U H5' H 4.318 0.020 2 22 2 2 U H5'' H 4.228 0.020 2 23 2 2 U H6 H 7.902 0.020 1 24 2 2 U C1' C 90.469 0.3 1 25 2 2 U C2' C 75.298 0.3 1 26 2 2 U C3' C 75.452 0.3 1 27 2 2 U C4' C 81.798 0.3 1 28 2 2 U C5 C 104.932 0.3 1 29 2 2 U C5' C 67.294 0.3 1 30 2 2 U C6 C 143.359 0.3 1 31 3 3 A H1' H 5.765 0.020 1 32 3 3 A H2 H 7.849 0.020 1 33 3 3 A H2' H 4.671 0.020 1 34 3 3 A H3' H 4.628 0.020 1 35 3 3 A H4' H 4.547 0.020 1 36 3 3 A H5' H 4.227 0.020 2 37 3 3 A H5'' H 4.473 0.020 2 38 3 3 A H8 H 8.285 0.020 1 39 3 3 A C1' C 92.464 0.3 1 40 3 3 A C2 C 153.529 0.3 1 41 3 3 A C2' C 75.240 0.3 1 42 3 3 A C3' C 73.431 0.3 1 43 3 3 A C4' C 82.110 0.3 1 44 3 3 A C5' C 66.021 0.3 1 45 3 3 A C8 C 140.564 0.3 1 46 4 4 C H1' H 5.487 0.020 1 47 4 4 C H2' H 4.596 0.020 1 48 4 4 C H3' H 4.449 0.020 1 49 4 4 C H4' H 4.425 0.020 1 50 4 4 C H5 H 5.287 0.020 1 51 4 4 C H5' H 4.380 0.020 2 52 4 4 C H5'' H 4.103 0.020 2 53 4 4 C H6 H 7.526 0.020 1 54 4 4 C C1' C 93.572 0.3 1 55 4 4 C C2' C 74.864 0.3 1 56 4 4 C C3' C 72.312 0.3 1 57 4 4 C C4' C 82.972 0.3 1 58 4 4 C C5 C 97.125 0.3 1 59 4 4 C C5' C 65.382 0.3 1 60 4 4 C C6 C 141.088 0.3 1 61 5 5 PSU H1' H 4.696 0.020 1 62 5 5 PSU H2' H 4.587 0.020 1 63 5 5 PSU H3' H 4.495 0.020 1 64 5 5 PSU H4' H 4.253 0.020 1 65 5 5 PSU H5' H 4.450 0.020 2 66 5 5 PSU H5'' H 4.045 0.020 2 67 5 5 PSU H6 H 7.444 0.020 1 68 5 5 PSU C1' C 82.842 0.3 1 69 5 5 PSU C2' C 75.149 0.3 1 70 5 5 PSU C3' C 74.570 0.3 1 71 5 5 PSU C4' C 79.517 0.3 1 72 5 5 PSU C5' C 65.464 0.3 1 73 5 5 PSU C6 C 140.776 0.3 1 74 5 5 PSU HN3 H 10.504 0.020 1 75 6 6 PSU H1' H 4.767 0.020 1 76 6 6 PSU H2' H 4.615 0.020 1 77 6 6 PSU H3' H 4.488 0.020 1 78 6 6 PSU H4' H 4.294 0.020 1 79 6 6 PSU H5' H 4.422 0.020 2 80 6 6 PSU H5'' H 4.078 0.020 2 81 6 6 PSU H6 H 7.516 0.020 1 82 6 6 PSU C1' C 82.654 0.3 1 83 6 6 PSU C2' C 75.259 0.3 1 84 6 6 PSU C3' C 75.097 0.3 1 85 6 6 PSU C4' C 79.517 0.3 1 86 6 6 PSU C5' C 66.214 0.3 1 87 6 6 PSU C6 C 140.819 0.3 1 88 6 6 PSU HN3 H 10.784 0.020 1 89 7 7 A H1' H 5.944 0.020 1 90 7 7 A H2 H 7.065 0.020 1 91 7 7 A H2' H 4.674 0.020 1 92 7 7 A H3' H 4.685 0.020 1 93 7 7 A H4' H 4.415 0.020 1 94 7 7 A H5' H 4.409 0.020 2 95 7 7 A H5'' H 4.135 0.020 2 96 7 7 A H8 H 8.125 0.020 1 97 7 7 A C1' C 92.531 0.3 1 98 7 7 A C2 C 152.964 0.3 1 99 7 7 A C2' C 72.130 0.3 1 100 7 7 A C3' C 72.166 0.3 1 101 7 7 A C4' C 83.080 0.3 1 102 7 7 A C5' C 66.439 0.3 1 103 7 7 A C8 C 139.566 0.3 1 104 8 8 C H1' H 5.298 0.020 1 105 8 8 C H2' H 4.479 0.020 1 106 8 8 C H3' H 4.253 0.020 1 107 8 8 C H4' H 4.351 0.020 1 108 8 8 C H5 H 5.166 0.020 1 109 8 8 C H5' H 4.026 0.020 2 110 8 8 C H5'' H 4.504 0.020 2 111 8 8 C H6 H 7.365 0.020 1 112 8 8 C C1' C 93.559 0.3 1 113 8 8 C C2' C 75.310 0.3 1 114 8 8 C C3' C 71.655 0.3 1 115 8 8 C C4' C 81.570 0.3 1 116 8 8 C C5 C 96.837 0.3 1 117 8 8 C C5' C 64.342 0.3 1 118 8 8 C C6 C 140.316 0.3 1 119 9 9 C H1' H 5.670 0.020 1 120 9 9 C H2' H 4.416 0.020 1 121 9 9 C H3' H 4.260 0.020 1 122 9 9 C H4' H 4.337 0.020 1 123 9 9 C H5 H 5.572 0.020 1 124 9 9 C H5' H 4.441 0.020 2 125 9 9 C H5'' H 4.034 0.020 2 126 9 9 C H6 H 7.726 0.020 1 127 9 9 C C1' C 93.127 0.3 1 128 9 9 C C2' C 73.858 0.3 1 129 9 9 C C3' C 71.551 0.3 1 130 9 9 C C4' C 85.619 0.3 1 131 9 9 C C5 C 98.309 0.3 1 132 9 9 C C5' C 64.445 0.3 1 133 9 9 C C6 C 141.304 0.3 1 134 10 10 U H1' H 5.535 0.020 1 135 10 10 U H2' H 4.452 0.020 1 136 10 10 U H3' H 4.296 0.020 1 137 10 10 U H4' H 4.025 0.020 1 138 10 10 U H5 H 5.572 0.020 1 139 10 10 U H5' H 4.176 0.020 2 140 10 10 U H5'' H 4.038 0.020 2 141 10 10 U H6 H 7.709 0.020 1 142 10 10 U C1' C 91.850 0.3 1 143 10 10 U C2' C 75.306 0.3 1 144 10 10 U C3' C 72.220 0.3 1 145 10 10 U C4' C 85.167 0.3 1 146 10 10 U C5 C 104.592 0.3 1 147 10 10 U C5' C 64.336 0.3 1 148 10 10 U C6 C 141.849 0.3 1 149 11 11 G H1' H 5.711 0.020 1 150 11 11 G H2' H 4.431 0.020 1 151 11 11 G H3' H 4.346 0.020 1 152 11 11 G H4' H 4.212 0.020 1 153 11 11 G H5' H 4.176 0.020 2 154 11 11 G H5'' H 4.060 0.020 2 155 11 11 G H8 H 7.858 0.020 1 156 11 11 G C1' C 90.019 0.3 1 157 11 11 G C2' C 76.624 0.3 1 158 11 11 G C3' C 72.055 0.3 1 159 11 11 G C4' C 85.481 0.3 1 160 11 11 G C5' C 66.799 0.3 1 161 11 11 G C8 C 139.370 0.3 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 12 1 G H1' H 5.757 0.020 1 2 12 1 G H2' H 4.718 0.020 1 3 12 1 G H3' H 4.674 0.020 1 4 12 1 G H4' H 4.416 0.020 1 5 12 1 G H5' H 3.818 0.020 2 6 12 1 G H5'' H 3.765 0.020 2 7 12 1 G H8 H 7.842 0.020 1 8 12 1 G C1' C 91.151 0.3 1 9 12 1 G C2' C 75.156 0.3 1 10 12 1 G C3' C 76.972 0.3 1 11 12 1 G C4' C 87.007 0.3 1 12 12 1 G C5' C 63.534 0.3 1 13 12 1 G C8 C 140.656 0.3 1 14 13 2 G H1' H 5.922 0.020 1 15 13 2 G H2' H 4.910 0.020 1 16 13 2 G H3' H 4.834 0.020 1 17 13 2 G H4' H 4.554 0.020 1 18 13 2 G H5' H 4.310 0.020 2 19 13 2 G H5'' H 4.220 0.020 2 20 13 2 G H8 H 7.943 0.020 1 21 13 2 G C1' C 90.053 0.3 1 22 13 2 G C2' C 76.196 0.3 1 23 13 2 G C3' C 75.647 0.3 1 24 13 2 G C4' C 84.645 0.3 1 25 13 2 G C5' C 67.457 0.3 1 26 13 2 G C8 C 138.817 0.3 1 27 14 3 A H1' H 5.980 0.020 1 28 14 3 A H2 H 8.152 0.020 1 29 14 3 A H2' H 4.823 0.020 1 30 14 3 A H3' H 4.696 0.020 1 31 14 3 A H4' H 4.624 0.020 1 32 14 3 A H5' H 4.445 0.020 2 33 14 3 A H5'' H 4.301 0.020 2 34 14 3 A H8 H 8.308 0.020 1 35 14 3 A C1' C 91.846 0.3 1 36 14 3 A C2 C 153.127 0.3 1 37 14 3 A C2' C 75.603 0.3 1 38 14 3 A C3' C 77.111 0.3 1 39 14 3 A C4' C 83.671 0.3 1 40 14 3 A C5' C 67.478 0.3 1 41 14 3 A C8 C 142.798 0.3 1 42 15 4 G H1' H 5.583 0.020 1 43 15 4 G H2' H 4.722 0.020 1 44 15 4 G H3' H 4.555 0.020 1 45 15 4 G H4' H 4.617 0.020 1 46 15 4 G H5' H 4.453 0.020 2 47 15 4 G H5'' H 4.158 0.020 2 48 15 4 G H8 H 7.372 0.020 1 49 15 4 G C1' C 92.924 0.3 1 50 15 4 G C2' C 74.844 0.3 1 51 15 4 G C3' C 72.785 0.3 1 52 15 4 G C4' C 84.717 0.3 1 53 15 4 G C5' C 65.699 0.3 1 54 15 4 G C8 C 136.659 0.3 1 55 16 5 U H1' H 5.554 0.020 1 56 16 5 U H2' H 4.600 0.020 1 57 16 5 U H3 H 13.648 0.020 1 58 16 5 U H3' H 4.557 0.020 1 59 16 5 U H4' H 4.339 0.020 1 60 16 5 U H5 H 5.152 0.020 1 61 16 5 U H5' H 4.563 0.020 2 62 16 5 U H5'' H 4.140 0.020 2 63 16 5 U H6 H 7.773 0.020 1 64 16 5 U C1' C 93.461 0.3 1 65 16 5 U C2' C 73.243 0.3 1 66 16 5 U C3' C 74.726 0.3 1 67 16 5 U C4' C 83.502 0.3 1 68 16 5 U C5 C 102.649 0.3 1 69 16 5 U C5' C 64.238 0.3 1 70 16 5 U C6 C 141.394 0.3 1 71 17 6 A H1' H 5.970 0.020 1 72 17 6 A H2 H 6.454 0.020 1 73 17 6 A H2' H 4.749 0.020 1 74 17 6 A H3' H 4.553 0.020 1 75 17 6 A H4' H 4.468 0.020 1 76 17 6 A H5' H 4.194 0.020 2 77 17 6 A H5'' H 4.350 0.020 2 78 17 6 A H8 H 8.100 0.020 1 79 17 6 A C1' C 92.217 0.3 1 80 17 6 A C2 C 151.909 0.3 1 81 17 6 A C2' C 73.029 0.3 1 82 17 6 A C3' C 74.549 0.3 1 83 17 6 A C4' C 81.825 0.3 1 84 17 6 A C5' C 66.802 0.3 1 85 17 6 A C8 C 139.532 0.3 1 86 18 7 A H1' H 5.799 0.020 1 87 18 7 A H2 H 7.343 0.020 1 88 18 7 A H2' H 4.638 0.020 1 89 18 7 A H3' H 4.517 0.020 1 90 18 7 A H4' H 4.542 0.020 1 91 18 7 A H5' H 4.147 0.020 2 92 18 7 A H5'' H 4.344 0.020 2 93 18 7 A H8 H 7.665 0.020 1 94 18 7 A C1' C 92.481 0.3 1 95 18 7 A C2 C 152.792 0.3 1 96 18 7 A C2' C 76.251 0.3 1 97 18 7 A C3' C 72.380 0.3 1 98 18 7 A C4' C 82.247 0.3 1 99 18 7 A C5' C 67.250 0.3 1 100 18 7 A C8 C 138.964 0.3 1 101 19 8 G H1 H 12.543 0.020 1 102 19 8 G H1' H 5.561 0.020 1 103 19 8 G H2' H 4.588 0.020 1 104 19 8 G H3' H 4.603 0.020 1 105 19 8 G H4' H 4.434 0.020 1 106 19 8 G H5' H 4.378 0.020 2 107 19 8 G H5'' H 4.019 0.020 2 108 19 8 G H8 H 7.079 0.020 1 109 19 8 G C1' C 92.764 0.3 1 110 19 8 G C2' C 75.451 0.3 1 111 19 8 G C3' C 71.928 0.3 1 112 19 8 G C4' C 81.928 0.3 1 113 19 8 G C5' C 65.542 0.3 1 114 19 8 G C8 C 135.670 0.3 1 115 20 9 U H1' H 5.701 0.020 1 116 20 9 U H2' H 4.468 0.020 1 117 20 9 U H3' H 4.413 0.020 1 118 20 9 U H4' H 4.513 0.020 1 119 20 9 U H5 H 5.049 0.020 1 120 20 9 U H5' H 4.375 0.020 2 121 20 9 U H5'' H 4.063 0.020 2 122 20 9 U H6 H 7.578 0.020 1 123 20 9 U C1' C 92.632 0.3 1 124 20 9 U C2' C 74.224 0.3 1 125 20 9 U C3' C 74.751 0.3 1 126 20 9 U C4' C 82.551 0.3 1 127 20 9 U C5 C 102.820 0.3 1 128 20 9 U C5' C 65.680 0.3 1 129 20 9 U C6 C 141.429 0.3 1 130 21 10 C H1' H 5.710 0.020 1 131 21 10 C H2' H 4.355 0.020 1 132 21 10 C H3' H 4.230 0.020 1 133 21 10 C H4' H 4.335 0.020 1 134 21 10 C H5 H 5.845 0.020 1 135 21 10 C H5' H 4.104 0.020 2 136 21 10 C H5'' H 4.096 0.020 2 137 21 10 C H6 H 7.799 0.020 1 138 21 10 C C1' C 92.701 0.3 1 139 21 10 C C2' C 75.619 0.3 1 140 21 10 C C3' C 75.501 0.3 1 141 21 10 C C4' C 82.432 0.3 1 142 21 10 C C5 C 98.054 0.3 1 143 21 10 C C5' C 66.790 0.3 1 144 21 10 C C6 C 142.727 0.3 1 145 22 11 U H1' H 5.745 0.020 1 146 22 11 U H2' H 4.283 0.020 1 147 22 11 U H3' H 4.218 0.020 1 148 22 11 U H4' H 4.155 0.020 1 149 22 11 U H5 H 5.669 0.020 1 150 22 11 U H5' H 4.115 0.020 1 151 22 11 U H5'' H 4.115 0.020 1 152 22 11 U H6 H 7.752 0.020 1 153 22 11 U C1' C 91.009 0.3 1 154 22 11 U C2' C 75.392 0.3 1 155 22 11 U C3' C 71.369 0.3 1 156 22 11 U C4' C 85.020 0.3 1 157 22 11 U C5 C 104.564 0.3 1 158 22 11 U C5' C 66.386 0.3 1 159 22 11 U C6 C 143.298 0.3 1 stop_ save_