data_34171 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR derived model of the 5'-splice site of SMN2 in complex with the 5'-end of U1 snRNA ; _BMRB_accession_number 34171 _BMRB_flat_file_name bmr34171.str _Entry_type original _Submission_date 2017-08-14 _Accession_date 2017-08-14 _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 Clery A. . . 3 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" 166 "13C chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-22 update BMRB 'update entry citation' 2017-08-25 original author 'original release' stop_ _Original_release_date 2017-08-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29133793 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sivaramakrishnan Manaswini . . 2 McCarthy Kathleen D. . 3 Campagne Sebastien . . 4 Huber Sylwia . . 5 Meier Sonja . . 6 Augustin Angelique . . 7 Heckel Tobias . . 8 Meistermann Helene . . 9 Hug Melanie N. . 10 Birrer Pascale . . 11 Moursy Ahmed . . 12 Khawaja Sarah . . 13 Schmucki Roland . . 14 Berntenis Nikos . . 15 Giroud Nicolas . . 16 Golling Sabrina . . 17 Tzouros Manuel . . 18 Banfai Balazs . . 19 Duran-Pacheco Gonzalo . . 20 Lamerz Jens . . 21 'Hsiu Liu' Ying . . 22 Luebbers Thomas . . 23 Ratni Hasane . . 24 Ebeling Martin . . 25 Clery Antoine . . 26 Paushkin Sergey . . 27 Krainer Adrian R. . 28 Allain 'Frederic H-T' H. . 29 Metzger Friedrich . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 8 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1476 _Page_last 1476 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*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' . Homo sapiens . . $entity_2 'recombinant technology' . Homo sapiens . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), 1 mM RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3'), 10 mM deuterated MES, 50 mM sodium chloride, 100% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 10 mM deuterated $entity_1 1 mM 'natural abundance' $entity_2 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.98 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 900 _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-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _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' 50 . mM pH 5.5 . pH pressure 1 . bar temperature 283 . 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 _Reference_correction_type _Correction_value DSS C 13 'methyl protons' ppm 0.000 external indirect spherical 'separate tube (no insert) not similar to the experimental sample tube' parallel 0.25144953 temperature 0.1 DSS H 1 'methyl protons' ppm 0.000 external direct spherical 'separate tube (no insert) not similar to the experimental sample tube' parallel 1.0 temperature 0.1 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 aromatic' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_1 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 5.476 0.000 . 2 1 1 A H2 H 7.701 0.000 . 3 1 1 A H2' H 4.363 0.000 . 4 1 1 A H3' H 4.423 0.000 . 5 1 1 A H4' H 3.976 0.000 . 6 1 1 A H5' H 3.605 0.000 . 7 1 1 A H5'' H 3.537 0.000 . 8 1 1 A H8 H 7.823 0.000 . 9 1 1 A C1' C 90.774 0.000 . 10 1 1 A C2 C 153.880 0.000 . 11 1 1 A C2' C 76.301 0.000 . 12 1 1 A C3' C 77.461 0.000 . 13 1 1 A C4' C 87.103 0.000 . 14 1 1 A C5' C 63.442 0.000 . 15 1 1 A C8 C 142.666 0.000 . 16 2 2 U H1' H 5.703 0.000 . 17 2 2 U H2' H 4.241 0.000 . 18 2 2 U H3' H 4.412 0.000 . 19 2 2 U H4' H 4.372 0.000 . 20 2 2 U H5 H 5.566 0.000 . 21 2 2 U H5' H 4.061 0.000 . 22 2 2 U H5'' H 3.960 0.000 . 23 2 2 U H6 H 7.657 0.000 . 24 2 2 U C1' C 90.234 0.000 . 25 2 2 U C2' C 75.268 0.000 . 26 2 2 U C3' C 75.451 0.000 . 27 2 2 U C4' C 84.709 0.000 . 28 2 2 U C5 C 104.966 0.000 . 29 2 2 U C5' C 67.448 0.000 . 30 2 2 U C6 C 143.226 0.000 . 31 3 3 A H1' H 5.531 0.000 . 32 3 3 A H2 H 7.535 0.000 . 33 3 3 A H2' H 4.426 0.000 . 34 3 3 A H3' H 4.358 0.000 . 35 3 3 A H4' H 4.138 0.000 . 36 3 3 A H5' H 3.973 0.000 . 37 3 3 A H5'' H 4.054 0.000 . 38 3 3 A H8 H 8.060 0.000 . 39 3 3 A C1' C 92.362 0.000 . 40 3 3 A C2 C 153.435 0.000 . 41 3 3 A C2' C 75.127 0.000 . 42 3 3 A C3' C 75.332 0.000 . 43 3 3 A C4' C 82.945 0.000 . 44 3 3 A C5' C 67.351 0.000 . 45 3 3 A C8 C 140.319 0.000 . 46 4 4 C H1' H 5.226 0.000 . 47 4 4 C H2' H 4.425 0.000 . 48 4 4 C H3' H 4.210 0.000 . 49 4 4 C H4' H 4.180 0.000 . 50 4 4 C H5 H 5.030 0.000 . 51 4 4 C H5' H 3.847 0.000 . 52 4 4 C H5'' H 3.778 0.000 . 53 4 4 C H6 H 7.257 0.000 . 54 4 4 C C1' C 93.508 0.000 . 55 4 4 C C2' C 75.274 0.000 . 56 4 4 C C3' C 73.354 0.000 . 57 4 4 C C4' C 81.852 0.000 . 58 4 4 C C5 C 97.021 0.000 . 59 4 4 C C5' C 64.968 0.000 . 60 4 4 C C6 C 140.799 0.000 . 61 5 5 PSU H1' H 4.579 0.000 . 62 5 5 PSU H2' H 4.346 0.000 . 63 5 5 PSU H3' H 4.262 0.000 . 64 5 5 PSU H4' H 3.988 0.000 . 65 5 5 PSU H5' H 3.784 0.000 . 66 5 5 PSU H5'' H 3.976 0.000 . 67 5 5 PSU H6 H 7.186 0.000 . 68 5 5 PSU C1' C 82.753 0.000 . 69 5 5 PSU C2' C 73.300 0.000 . 70 5 5 PSU C3' C 74.687 0.000 . 71 5 5 PSU C4' C 79.435 0.000 . 72 5 5 PSU C5' C 66.378 0.000 . 73 5 5 PSU C6 C 140.721 0.000 . 74 5 5 PSU HN3 H 10.504 0.000 . 75 6 6 PSU H1' H 4.508 0.000 . 76 6 6 PSU H2' H 4.364 0.000 . 77 6 6 PSU H3' H 4.260 0.000 . 78 6 6 PSU H4' H 4.036 0.000 . 79 6 6 PSU H5' H 3.978 0.000 . 80 6 6 PSU H5'' H 3.816 0.000 . 81 6 6 PSU H6 H 7.261 0.000 . 82 6 6 PSU C1' C 82.712 0.000 . 83 6 6 PSU C2' C 73.326 0.000 . 84 6 6 PSU C3' C 72.893 0.000 . 85 6 6 PSU C4' C 79.429 0.000 . 86 6 6 PSU C5' C 66.804 0.000 . 87 6 6 PSU C6 C 140.800 0.000 . 88 6 6 PSU HN3 H 10.784 0.000 . 89 7 7 A H1' H 5.690 0.000 . 90 7 7 A H2 H 6.818 0.000 . 91 7 7 A H2' H 4.437 0.000 . 92 7 7 A H3' H 4.239 0.000 . 93 7 7 A H4' H 4.176 0.000 . 94 7 7 A H5' H 3.877 0.000 . 95 7 7 A H5'' H 3.813 0.000 . 96 7 7 A H8 H 7.876 0.000 . 97 7 7 A C1' C 92.536 0.000 . 98 7 7 A C2 C 152.817 0.000 . 99 7 7 A C2' C 72.088 0.000 . 100 7 7 A C3' C 75.182 0.000 . 101 7 7 A C4' C 81.835 0.000 . 102 7 7 A C5' C 66.675 0.000 . 103 7 7 A C8 C 139.386 0.000 . 104 8 8 C H1' H 5.043 0.000 . 105 8 8 C H2' H 4.082 0.000 . 106 8 8 C H3' H 4.009 0.000 . 107 8 8 C H4' H 4.018 0.000 . 108 8 8 C H5 H 4.922 0.000 . 109 8 8 C H5' H 3.757 0.000 . 110 8 8 C H6 H 7.107 0.000 . 111 8 8 C C1' C 93.579 0.000 . 112 8 8 C C2' C 75.324 0.000 . 113 8 8 C C3' C 71.874 0.000 . 114 8 8 C C4' C 83.090 0.000 . 115 8 8 C C5 C 96.861 0.000 . 116 8 8 C C5' C 65.323 0.000 . 117 8 8 C C6 C 140.161 0.000 . 118 9 9 C H1' H 5.406 0.000 . 119 9 9 C H2' H 4.187 0.000 . 120 9 9 C H3' H 4.147 0.000 . 121 9 9 C H4' H 3.973 0.000 . 122 9 9 C H5 H 5.271 0.000 . 123 9 9 C H5' H 3.767 0.000 . 124 9 9 C H6 H 7.427 0.000 . 125 9 9 C C1' C 92.819 0.000 . 126 9 9 C C2' C 76.468 0.000 . 127 9 9 C C3' C 72.999 0.000 . 128 9 9 C C4' C 85.434 0.000 . 129 9 9 C C5 C 98.090 0.000 . 130 9 9 C C5' C 64.369 0.000 . 131 9 9 C C6 C 141.114 0.000 . 132 10 10 U H1' H 5.459 0.000 . 133 10 10 U H2' H 4.082 0.000 . 134 10 10 U H3' H 4.022 0.000 . 135 10 10 U H4' H 3.961 0.000 . 136 10 10 U H5 H 5.313 0.000 . 137 10 10 U H5' H 3.927 0.000 . 138 10 10 U H5'' H 3.785 0.000 . 139 10 10 U H6 H 7.458 0.000 . 140 10 10 U C1' C 92.486 0.000 . 141 10 10 U C2' C 75.396 0.000 . 142 10 10 U C3' C 75.442 0.000 . 143 10 10 U C4' C 85.433 0.000 . 144 10 10 U C5 C 104.435 0.000 . 145 10 10 U C5' C 66.421 0.000 . 146 10 10 U C6 C 141.669 0.000 . 147 11 11 G H1' H 5.457 0.000 . 148 11 11 G H2' H 4.180 0.000 . 149 11 11 G H3' H 4.187 0.000 . 150 11 11 G H4' H 3.895 0.000 . 151 11 11 G H5' H 3.930 0.000 . 152 11 11 G H5'' H 3.801 0.000 . 153 11 11 G H8 H 7.607 0.000 . 154 11 11 G C1' C 89.943 0.000 . 155 11 11 G C2' C 74.560 0.000 . 156 11 11 G C3' C 74.024 0.000 . 157 11 11 G C4' C 84.933 0.000 . 158 11 11 G C5' C 65.384 0.000 . 159 11 11 G C8 C 139.279 0.000 . 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 aromatic' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_1 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 5.457 0.000 . 2 12 1 G H2' H 4.481 0.000 . 3 12 1 G H3' H 4.397 0.000 . 4 12 1 G H4' H 4.076 0.000 . 5 12 1 G H5' H 3.583 0.000 . 6 12 1 G H5'' H 3.507 0.000 . 7 12 1 G H8 H 7.580 0.000 . 8 12 1 G C1' C 91.023 0.000 . 9 12 1 G C2' C 75.135 0.000 . 10 12 1 G C3' C 77.024 0.000 . 11 12 1 G C4' C 86.418 0.000 . 12 12 1 G C5' C 63.584 0.000 . 13 12 1 G C8 C 140.611 0.000 . 14 13 2 G H1' H 5.679 0.000 . 15 13 2 G H2' H 4.557 0.000 . 16 13 2 G H3' H 4.357 0.000 . 17 13 2 G H4' H 4.293 0.000 . 18 13 2 G H5' H 3.583 0.000 . 19 13 2 G H5'' H 3.507 0.000 . 20 13 2 G H8 H 7.658 0.000 . 21 13 2 G C1' C 89.409 0.000 . 22 13 2 G C2' C 75.624 0.000 . 23 13 2 G C3' C 75.039 0.000 . 24 13 2 G C4' C 84.836 0.000 . 25 13 2 G C5' C 63.533 0.000 . 26 13 2 G C8 C 138.587 0.000 . 27 14 3 A H1' H 5.738 0.000 . 28 14 3 A H2 H 7.769 0.000 . 29 14 3 A H2' H 4.553 0.000 . 30 14 3 A H3' H 4.474 0.000 . 31 14 3 A H4' H 4.366 0.000 . 32 14 3 A H5' H 4.173 0.000 . 33 14 3 A H5'' H 4.048 0.000 . 34 14 3 A H8 H 8.052 0.000 . 35 14 3 A C1' C 90.219 0.000 . 36 14 3 A C2 C 154.305 0.000 . 37 14 3 A C2' C 75.658 0.000 . 38 14 3 A C3' C 75.747 0.000 . 39 14 3 A C4' C 83.978 0.000 . 40 14 3 A C5' C 67.734 0.000 . 41 14 3 A C8 C 142.344 0.000 . 42 15 4 G H1' H 5.309 0.000 . 43 15 4 G H2' H 4.352 0.000 . 44 15 4 G H3' H 4.258 0.000 . 45 15 4 G H4' H 4.177 0.000 . 46 15 4 G H5' H 3.910 0.000 . 47 15 4 G H8 H 7.146 0.000 . 48 15 4 G C1' C 92.792 0.000 . 49 15 4 G C2' C 74.743 0.000 . 50 15 4 G C3' C 72.990 0.000 . 51 15 4 G C4' C 82.032 0.000 . 52 15 4 G C5' C 67.291 0.000 . 53 15 4 G C8 C 136.618 0.000 . 54 16 5 U H1' H 5.304 0.000 . 55 16 5 U H2' H 4.350 0.000 . 56 16 5 U H3 H 13.648 0.000 . 57 16 5 U H3' H 4.208 0.000 . 58 16 5 U H4' H 4.085 0.000 . 59 16 5 U H5 H 4.898 0.000 . 60 16 5 U H5' H 3.884 0.000 . 61 16 5 U H6 H 7.537 0.000 . 62 16 5 U C1' C 93.401 0.000 . 63 16 5 U C2' C 74.664 0.000 . 64 16 5 U C3' C 75.179 0.000 . 65 16 5 U C4' C 82.451 0.000 . 66 16 5 U C5 C 102.497 0.000 . 67 16 5 U C5' C 64.242 0.000 . 68 16 5 U C6 C 141.471 0.000 . 69 17 6 A H1' H 5.711 0.000 . 70 17 6 A H2 H 6.194 0.000 . 71 17 6 A H2' H 4.499 0.000 . 72 17 6 A H3' H 4.411 0.000 . 73 17 6 A H4' H 4.283 0.000 . 74 17 6 A H5' H 3.944 0.000 . 75 17 6 A H5'' H 3.880 0.000 . 76 17 6 A H8 H 7.859 0.000 . 77 17 6 A C1' C 92.074 0.000 . 78 17 6 A C2 C 151.777 0.000 . 79 17 6 A C2' C 73.047 0.000 . 80 17 6 A C3' C 75.632 0.000 . 81 17 6 A C4' C 82.169 0.000 . 82 17 6 A C5' C 67.171 0.000 . 83 17 6 A C8 C 139.408 0.000 . 84 18 7 A H1' H 5.534 0.000 . 85 18 7 A H2 H 7.075 0.000 . 86 18 7 A H2' H 4.412 0.000 . 87 18 7 A H3' H 4.293 0.000 . 88 18 7 A H4' H 4.254 0.000 . 89 18 7 A H5' H 3.897 0.000 . 90 18 7 A H8 H 7.410 0.000 . 91 18 7 A C1' C 92.398 0.000 . 92 18 7 A C2 C 152.660 0.000 . 93 18 7 A C2' C 76.271 0.000 . 94 18 7 A C3' C 72.814 0.000 . 95 18 7 A C4' C 81.841 0.000 . 96 18 7 A C5' C 65.688 0.000 . 97 18 7 A C8 C 138.870 0.000 . 98 19 8 G H1 H 12.543 0.000 . 99 19 8 G H1' H 5.310 0.000 . 100 19 8 G H2' H 4.353 0.000 . 101 19 8 G H3' H 4.253 0.000 . 102 19 8 G H4' H 4.130 0.000 . 103 19 8 G H5' H 3.760 0.000 . 104 19 8 G H8 H 6.818 0.000 . 105 19 8 G C1' C 91.917 0.000 . 106 19 8 G C2' C 73.287 0.000 . 107 19 8 G C3' C 72.911 0.000 . 108 19 8 G C4' C 82.930 0.000 . 109 19 8 G C5' C 65.248 0.000 . 110 19 8 G C8 C 135.527 0.000 . 111 20 9 U H1' H 5.458 0.000 . 112 20 9 U H2' H 4.130 0.000 . 113 20 9 U H3' H 4.084 0.000 . 114 20 9 U H4' H 3.974 0.000 . 115 20 9 U H5 H 4.788 0.000 . 116 20 9 U H5' H 3.803 0.000 . 117 20 9 U H5'' H 3.771 0.000 . 118 20 9 U H6 H 7.334 0.000 . 119 20 9 U C1' C 92.632 0.000 . 120 20 9 U C2' C 74.918 0.000 . 121 20 9 U C3' C 72.058 0.000 . 122 20 9 U C4' C 87.049 0.000 . 123 20 9 U C5 C 102.818 0.000 . 124 20 9 U C5' C 64.643 0.000 . 125 20 9 U C6 C 141.316 0.000 . 126 21 10 C H1' H 5.456 0.000 . 127 21 10 C H2' H 4.146 0.000 . 128 21 10 C H3' H 4.248 0.000 . 129 21 10 C H4' H 4.084 0.000 . 130 21 10 C H5 H 5.488 0.000 . 131 21 10 C H5' H 3.861 0.000 . 132 21 10 C H5'' H 3.835 0.000 . 133 21 10 C H6 H 7.471 0.000 . 134 21 10 C C1' C 92.211 0.000 . 135 21 10 C C2' C 74.990 0.000 . 136 21 10 C C3' C 75.259 0.000 . 137 21 10 C C4' C 81.650 0.000 . 138 21 10 C C5 C 98.028 0.000 . 139 21 10 C C5' C 67.363 0.000 . 140 21 10 C C6 C 142.343 0.000 . 141 22 11 U H1' H 5.512 0.000 . 142 22 11 U H2' H 3.976 0.000 . 143 22 11 U H3' H 3.970 0.000 . 144 22 11 U H4' H 3.869 0.000 . 145 22 11 U H5 H 5.415 0.000 . 146 22 11 U H5' H 3.786 0.000 . 147 22 11 U H6 H 7.520 0.000 . 148 22 11 U C1' C 91.004 0.000 . 149 22 11 U C2' C 75.308 0.000 . 150 22 11 U C3' C 71.259 0.000 . 151 22 11 U C4' C 76.438 0.000 . 152 22 11 U C5 C 104.448 0.000 . 153 22 11 U C5' C 66.386 0.000 . 154 22 11 U C6 C 143.154 0.000 . stop_ save_