data_19545 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Solution Structure of a cGCUUAg RNA Pentaloop from Bovine Enterovirus Vir404/03 ; _BMRB_accession_number 19545 _BMRB_flat_file_name bmr19545.str _Entry_type original _Submission_date 2013-10-11 _Accession_date 2013-10-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ihle Yvonne . . 2 Zell Roland . . 3 Gorlach Matthias . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 190 "13C chemical shifts" 132 "15N chemical shifts" 17 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-21 update BMRB 'update entity db link loop' 2014-10-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Solution Structure of a cGCUUAg RNA Pentaloop from Bovine Enterovirus Vir 404/03' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ihle Yvonne . . 2 Zell Roland . . 3 Gorlach Matthias . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cGCUUAg RNA Pentaloop from Bovine Enterovirus Vir404/03' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (5'-R(P*GP*GP*CP*GP*UP*UP*CP*GP*CP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-3')' $BEVSLD5 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_BEVSLD5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common BEVSLD5 _Molecular_mass 6070.675 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence GGCGUUCGCUUAGAACGUC loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 55 G 2 56 G 3 57 C 4 58 G 5 59 U 6 60 U 7 61 C 8 62 G 9 63 C 10 64 U 11 65 U 12 66 A 13 67 G 14 68 A 15 69 A 16 70 C 17 71 G 18 72 U 19 73 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB DQ092771.1 'Enterovirus E isolate Vir 404/03 polyprotein gene, complete cds' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant _Details $BEVSLD5 'bovine enterovirus' 12064 Viruses . Enterovirus E 084-Vir404/03 'apical part of stemloop D from the first cloverleaf of bovine enterovirus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $BEVSLD5 'enzymatic semisynthesis' . . . . . 'in vitro transcription, T7 RNA polymerase' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unl-BEVSLD5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BEVSLD5 1.1 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_BEVSLD5_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BEVSLD5 0.9 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $unl-BEVSLD5 save_ save_2D_1H-13C_HSQC_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $unl-BEVSLD5 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $unl-BEVSLD5 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unl-BEVSLD5 save_ save_2D_DQF-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $unl-BEVSLD5 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $unl-BEVSLD5 save_ save_2D_HcncH_+_2D_HccH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HcncH + 2D HccH-COSY' _Sample_label $BEVSLD5_1 save_ save_2D_HcnH_+_2D_HccH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HcnH + 2D HccH-TOCSY' _Sample_label $BEVSLD5_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $BEVSLD5_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $BEVSLD5_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $BEVSLD5_1 save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unl-BEVSLD5 save_ save_2D_1H-13C_HSQC_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $BEVSLD5_1 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $BEVSLD5_1 save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $unl-BEVSLD5 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 6.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.2 . pH pressure 1 . atm temperature 278 . 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 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H COSY' '2D 1H-1H NOESY' '2D HcncH + 2D HccH-COSY' '2D HcnH + 2D HccH-TOCSY' '3D HCCH-COSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $unl-BEVSLD5 $BEVSLD5_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(P*GP*GP*CP*GP*UP*UP*CP*GP*CP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-3')' _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 55 1 G H1 H 12.925 0.010 1 2 55 1 G H1' H 5.802 0.010 1 3 55 1 G H2' H 4.795 0.010 1 4 55 1 G H3' H 4.714 0.010 1 5 55 1 G H4' H 4.535 0.010 1 6 55 1 G H5' H 4.478 0.010 2 7 55 1 G H5'' H 4.271 0.010 2 8 55 1 G H8 H 8.193 0.010 1 9 55 1 G HO2' H 6.856 0.010 1 10 55 1 G C1' C 92.606 0.100 1 11 55 1 G C2' C 75.233 0.100 1 12 55 1 G C3' C 73.739 0.100 1 13 55 1 G C4' C 83.000 0.100 1 14 55 1 G C5' C 66.500 0.100 1 15 55 1 G C8 C 139.435 0.100 1 16 55 1 G N9 N 169.205 0.120 1 17 56 2 G H1 H 11.685 0.010 1 18 56 2 G H1' H 5.900 0.010 1 19 56 2 G H2' H 4.662 0.010 1 20 56 2 G H3' H 4.527 0.010 1 21 56 2 G H4' H 4.500 0.010 1 22 56 2 G H5' H 4.510 0.010 1 23 56 2 G H5'' H 4.161 0.010 1 24 56 2 G H8 H 7.538 0.010 1 25 56 2 G H21 H 6.218 0.010 1 26 56 2 G H22 H 6.218 0.010 1 27 56 2 G HO2' H 7.097 0.010 1 28 56 2 G C1' C 93.178 0.100 1 29 56 2 G C2' C 75.278 0.100 1 30 56 2 G C3' C 72.514 0.100 1 31 56 2 G C4' C 82.245 0.100 1 32 56 2 G C5' C 65.169 0.100 1 33 56 2 G C8 C 137.103 0.100 1 34 56 2 G N9 N 170.268 0.120 1 35 57 3 C H1' H 5.519 0.010 1 36 57 3 C H2' H 4.452 0.010 1 37 57 3 C H3' H 4.537 0.010 1 38 57 3 C H4' H 4.374 0.010 1 39 57 3 C H5 H 5.478 0.010 1 40 57 3 C H5' H 4.509 0.010 2 41 57 3 C H5'' H 4.075 0.010 2 42 57 3 C H6 H 7.693 0.010 1 43 57 3 C H41 H 6.841 0.010 1 44 57 3 C H42 H 8.227 0.010 1 45 57 3 C HO2' H 6.450 0.010 1 46 57 3 C C1' C 93.572 0.100 1 47 57 3 C C2' C 75.669 0.100 1 48 57 3 C C3' C 72.082 0.100 1 49 57 3 C C4' C 81.706 0.100 1 50 57 3 C C5 C 98.077 0.100 1 51 57 3 C C5' C 64.132 0.100 1 52 57 3 C C6 C 139.968 0.100 1 53 57 3 C N1 N 150.606 0.120 1 54 58 4 G H1 H 12.847 0.010 1 55 58 4 G H1' H 5.692 0.010 1 56 58 4 G H2' H 4.481 0.010 1 57 58 4 G H3' H 4.502 0.010 1 58 58 4 G H4' H 4.440 0.010 1 59 58 4 G H5' H 4.428 0.010 2 60 58 4 G H5'' H 4.070 0.010 2 61 58 4 G H8 H 7.484 0.010 1 62 58 4 G H21 H 5.996 0.010 1 63 58 4 G H22 H 5.996 0.010 1 64 58 4 G HO2' H 6.841 0.010 1 65 58 4 G C1' C 93.277 0.100 1 66 58 4 G C2' C 75.319 0.100 1 67 58 4 G C3' C 73.068 0.100 1 68 58 4 G C4' C 82.014 0.100 1 69 58 4 G C5' C 65.717 0.100 1 70 58 4 G C8 C 136.129 0.100 1 71 58 4 G N9 N 168.742 0.120 1 72 59 5 U H1' H 5.518 0.010 1 73 59 5 U H2' H 4.389 0.010 1 74 59 5 U H3 H 14.257 0.010 1 75 59 5 U H3' H 4.460 0.010 1 76 59 5 U H4' H 4.397 0.010 1 77 59 5 U H5 H 5.037 0.010 1 78 59 5 U H5' H 4.536 0.010 2 79 59 5 U H5'' H 4.057 0.010 2 80 59 5 U H6 H 7.815 0.010 1 81 59 5 U HO2' H 6.915 0.010 1 82 59 5 U C1' C 93.903 0.100 1 83 59 5 U C2' C 75.199 0.100 1 84 59 5 U C3' C 72.122 0.100 1 85 59 5 U C4' C 82.198 0.100 1 86 59 5 U C5 C 102.618 0.100 1 87 59 5 U C5' C 64.342 0.100 1 88 59 5 U C6 C 142.011 0.100 1 89 60 6 U H1' H 5.625 0.010 1 90 60 6 U H2' H 4.360 0.010 1 91 60 6 U H3 H 13.653 0.010 1 92 60 6 U H3' H 4.480 0.010 1 93 60 6 U H4' H 4.389 0.010 1 94 60 6 U H5 H 5.537 0.010 1 95 60 6 U H5' H 4.517 0.010 2 96 60 6 U H5'' H 4.063 0.010 2 97 60 6 U H6 H 7.989 0.010 1 98 60 6 U HO2' H 6.690 0.010 1 99 60 6 U C1' C 93.586 0.100 1 100 60 6 U C2 C 152.805 0.100 1 101 60 6 U C2' C 75.521 0.100 1 102 60 6 U C3' C 72.289 0.100 1 103 60 6 U C4' C 81.993 0.100 1 104 60 6 U C5 C 103.315 0.100 1 105 60 6 U C5' C 64.437 0.100 1 106 60 6 U C6 C 142.578 0.100 1 107 60 6 U N1 N 147.020 0.120 1 108 61 7 C H1' H 5.541 0.010 1 109 61 7 C H2' H 4.590 0.010 1 110 61 7 C H3' H 4.366 0.010 1 111 61 7 C H4' H 4.359 0.010 1 112 61 7 C H5 H 5.527 0.010 1 113 61 7 C H5' H 4.445 0.010 2 114 61 7 C H5'' H 4.050 0.010 2 115 61 7 C H6 H 7.739 0.010 1 116 61 7 C H41 H 6.723 0.010 1 117 61 7 C H42 H 8.117 0.010 1 118 61 7 C HO2' H 6.544 0.010 1 119 61 7 C C1' C 93.642 0.100 1 120 61 7 C C2' C 75.605 0.100 1 121 61 7 C C3' C 72.482 0.100 1 122 61 7 C C4' C 81.852 0.100 1 123 61 7 C C5 C 97.960 0.100 1 124 61 7 C C5' C 64.964 0.100 1 125 61 7 C C6 C 140.994 0.100 1 126 61 7 C N1 N 150.679 0.120 1 127 62 8 G H1 H 10.352 0.010 1 128 62 8 G H1' H 5.546 0.010 1 129 62 8 G H2' H 4.344 0.010 1 130 62 8 G H3' H 4.236 0.010 1 131 62 8 G H4' H 4.378 0.010 1 132 62 8 G H5' H 4.299 0.010 1 133 62 8 G H5'' H 4.005 0.010 1 134 62 8 G H8 H 7.425 0.010 1 135 62 8 G H21 H 5.874 0.010 1 136 62 8 G H22 H 5.874 0.010 1 137 62 8 G HO2' H 6.975 0.010 1 138 62 8 G C1' C 93.157 0.100 1 139 62 8 G C2' C 74.731 0.100 1 140 62 8 G C3' C 73.694 0.100 1 141 62 8 G C4 C 158.620 0.100 1 142 62 8 G C4' C 82.425 0.100 1 143 62 8 G C5' C 66.346 0.100 1 144 62 8 G C8 C 136.534 0.100 1 145 63 9 C H1' H 4.838 0.010 1 146 63 9 C H2' H 3.835 0.010 1 147 63 9 C H3' H 4.133 0.010 1 148 63 9 C H4' H 3.666 0.010 1 149 63 9 C H5 H 5.215 0.010 1 150 63 9 C H5' H 3.870 0.010 2 151 63 9 C H5'' H 4.136 0.010 2 152 63 9 C H6 H 7.345 0.010 1 153 63 9 C C1' C 93.164 0.100 1 154 63 9 C C2' C 75.583 0.100 1 155 63 9 C C3' C 73.552 0.100 1 156 63 9 C C4' C 82.715 0.100 1 157 63 9 C C5 C 96.768 0.100 1 158 63 9 C C5' C 65.069 0.100 1 159 63 9 C C6 C 141.956 0.100 1 160 63 9 C N1 N 152.436 0.120 1 161 64 10 U H1' H 5.870 0.010 1 162 64 10 U H2' H 4.286 0.010 1 163 64 10 U H3' H 4.498 0.010 1 164 64 10 U H4' H 4.280 0.010 1 165 64 10 U H5 H 5.701 0.010 1 166 64 10 U H5' H 3.865 0.010 2 167 64 10 U H5'' H 4.008 0.010 2 168 64 10 U H6 H 7.718 0.010 1 169 64 10 U C1' C 90.265 0.100 1 170 64 10 U C2 C 154.420 0.100 1 171 64 10 U C2' C 75.518 0.100 1 172 64 10 U C3' C 77.531 0.100 1 173 64 10 U C4' C 85.484 0.100 1 174 64 10 U C5 C 105.383 0.100 1 175 64 10 U C5' C 67.679 0.100 1 176 64 10 U C6 C 144.023 0.100 1 177 64 10 U N1 N 143.419 0.120 1 178 65 11 U H1' H 5.846 0.010 1 179 65 11 U H2' H 4.341 0.010 1 180 65 11 U H3' H 4.614 0.010 1 181 65 11 U H4' H 4.334 0.010 1 182 65 11 U H5 H 5.815 0.010 1 183 65 11 U H5' H 4.041 0.010 1 184 65 11 U H5'' H 4.041 0.010 1 185 65 11 U H6 H 7.694 0.010 1 186 65 11 U C1' C 90.765 0.100 1 187 65 11 U C2 C 154.370 0.100 1 188 65 11 U C2' C 75.601 0.100 1 189 65 11 U C3' C 76.727 0.100 1 190 65 11 U C4' C 85.092 0.100 1 191 65 11 U C5 C 105.443 0.100 1 192 65 11 U C5' C 67.468 0.100 1 193 65 11 U C6 C 143.805 0.100 1 194 65 11 U N1 N 143.858 0.120 1 195 66 12 A H1' H 6.143 0.010 1 196 66 12 A H2 H 8.316 0.010 1 197 66 12 A H2' H 4.821 0.010 1 198 66 12 A H3' H 4.819 0.010 1 199 66 12 A H4' H 4.741 0.010 1 200 66 12 A H5' H 4.246 0.010 1 201 66 12 A H5'' H 4.246 0.010 1 202 66 12 A H8 H 8.345 0.010 1 203 66 12 A HO2' H 6.349 0.010 1 204 66 12 A C1' C 90.033 0.100 1 205 66 12 A C2 C 156.554 0.100 1 206 66 12 A C2' C 76.613 0.100 1 207 66 12 A C3' C 78.398 0.100 1 208 66 12 A C4 C 151.893 0.100 1 209 66 12 A C4' C 84.172 0.100 1 210 66 12 A C5' C 68.581 0.100 1 211 66 12 A C8 C 142.351 0.100 1 212 66 12 A N9 N 168.729 0.120 1 213 67 13 G H1 H 12.034 0.010 1 214 67 13 G H1' H 5.685 0.010 1 215 67 13 G H2' H 4.632 0.010 1 216 67 13 G H3' H 4.422 0.010 1 217 67 13 G H4' H 4.492 0.010 1 218 67 13 G H5' H 4.323 0.010 1 219 67 13 G H5'' H 4.427 0.010 1 220 67 13 G H8 H 7.909 0.010 1 221 67 13 G H21 H 7.909 0.010 2 222 67 13 G H22 H 6.149 0.010 2 223 67 13 G HO2' H 6.573 0.010 1 224 67 13 G C1' C 92.901 0.100 1 225 67 13 G C2' C 75.052 0.100 1 226 67 13 G C3' C 74.897 0.100 1 227 67 13 G C4' C 83.095 0.100 1 228 67 13 G C5' C 69.660 0.100 1 229 67 13 G C8 C 138.076 0.100 1 230 67 13 G N9 N 169.943 0.120 1 231 68 14 A H1' H 5.867 0.010 1 232 68 14 A H2 H 7.126 0.010 1 233 68 14 A H2' H 4.505 0.010 1 234 68 14 A H3' H 4.658 0.010 1 235 68 14 A H4' H 4.448 0.010 1 236 68 14 A H5' H 4.548 0.010 2 237 68 14 A H5'' H 4.073 0.010 2 238 68 14 A H8 H 7.798 0.010 1 239 68 14 A H61 H 6.557 0.010 2 240 68 14 A H62 H 7.808 0.010 2 241 68 14 A HO2' H 6.661 0.010 1 242 68 14 A C1' C 92.960 0.100 1 243 68 14 A C2 C 153.038 0.100 1 244 68 14 A C2' C 75.606 0.100 1 245 68 14 A C3' C 72.804 0.100 1 246 68 14 A C4' C 82.202 0.100 1 247 68 14 A C5' C 64.767 0.100 1 248 68 14 A C8 C 139.592 0.100 1 249 68 14 A N9 N 170.465 0.120 1 250 69 15 A H1' H 5.855 0.010 1 251 69 15 A H2 H 7.687 0.010 1 252 69 15 A H2' H 4.392 0.010 1 253 69 15 A H3' H 4.567 0.010 1 254 69 15 A H5'' H 4.002 0.010 2 255 69 15 A H8 H 7.833 0.010 1 256 69 15 A H61 H 6.606 0.010 2 257 69 15 A H62 H 8.100 0.010 2 258 69 15 A HO2' H 6.732 0.010 1 259 69 15 A C1' C 92.552 0.100 1 260 69 15 A C2 C 153.941 0.100 1 261 69 15 A C2' C 75.620 0.100 1 262 69 15 A C3' C 72.419 0.100 1 263 69 15 A C8 C 138.977 0.100 1 264 69 15 A N9 N 171.056 0.120 1 265 70 16 C H1' H 5.295 0.010 1 266 70 16 C H2' H 4.372 0.010 1 267 70 16 C H3' H 4.336 0.010 1 268 70 16 C H4' H 4.321 0.010 1 269 70 16 C H5 H 5.145 0.010 1 270 70 16 C H5' H 4.434 0.010 2 271 70 16 C H5'' H 3.992 0.010 2 272 70 16 C H6 H 7.375 0.010 1 273 70 16 C H41 H 6.806 0.010 1 274 70 16 C H42 H 8.190 0.010 1 275 70 16 C HO2' H 6.449 0.010 1 276 70 16 C C1' C 93.397 0.100 1 277 70 16 C C2' C 75.499 0.100 1 278 70 16 C C3' C 72.405 0.100 1 279 70 16 C C4' C 81.719 0.100 1 280 70 16 C C5 C 97.661 0.100 1 281 70 16 C C5' C 64.607 0.100 1 282 70 16 C C6 C 139.976 0.100 1 283 70 16 C N1 N 149.918 0.120 1 284 71 17 G H1 H 13.106 0.010 1 285 71 17 G H1' H 5.641 0.010 1 286 71 17 G H2' H 4.597 0.010 1 287 71 17 G H3' H 4.337 0.010 1 288 71 17 G H4' H 4.391 0.010 1 289 71 17 G H5' H 4.418 0.010 2 290 71 17 G H5'' H 4.009 0.010 2 291 71 17 G H8 H 7.386 0.010 1 292 71 17 G H21 H 6.037 0.010 2 293 71 17 G H22 H 6.037 0.010 2 294 71 17 G HO2' H 6.897 0.010 1 295 71 17 G C1' C 93.277 0.100 1 296 71 17 G C2' C 75.172 0.100 1 297 71 17 G C3' C 72.826 0.100 1 298 71 17 G C4' C 82.408 0.100 1 299 71 17 G C5' C 65.396 0.100 1 300 71 17 G C8 C 135.925 0.100 1 301 71 17 G N9 N 169.352 0.120 1 302 72 18 U H1' H 5.459 0.010 1 303 72 18 U H2' H 4.022 0.010 1 304 72 18 U H3 H 12.294 0.010 1 305 72 18 U H3' H 4.462 0.010 1 306 72 18 U H4' H 4.335 0.010 1 307 72 18 U H5 H 5.355 0.010 1 308 72 18 U H5' H 4.002 0.010 2 309 72 18 U H5'' H 4.466 0.010 2 310 72 18 U H6 H 7.737 0.010 1 311 72 18 U HO2' H 7.347 0.010 1 312 72 18 U C1' C 94.431 0.100 1 313 72 18 U C2 C 154.800 0.100 1 314 72 18 U C2' C 75.687 0.100 1 315 72 18 U C3' C 72.085 0.100 1 316 72 18 U C4' C 82.625 0.100 1 317 72 18 U C5 C 103.796 0.100 1 318 72 18 U C5' C 64.051 0.100 1 319 72 18 U C6 C 140.800 0.100 1 320 72 18 U N1 N 145.541 0.120 1 321 73 19 C H1' H 6.150 0.010 1 322 73 19 C H2' H 4.626 0.010 1 323 73 19 C H3' H 4.967 0.010 1 324 73 19 C H4' H 4.322 0.010 1 325 73 19 C H5 H 5.623 0.010 1 326 73 19 C H5' H 4.532 0.010 2 327 73 19 C H5'' H 4.050 0.010 2 328 73 19 C H6 H 7.523 0.010 1 329 73 19 C H41 H 7.000 0.010 2 330 73 19 C H42 H 8.574 0.010 2 331 73 19 C C1' C 91.532 0.100 1 332 73 19 C C2 C 159.565 0.100 1 333 73 19 C C2' C 84.957 0.100 1 334 73 19 C C3' C 77.902 0.100 1 335 73 19 C C4' C 85.279 0.100 1 336 73 19 C C5 C 98.902 0.100 1 337 73 19 C C5' C 65.645 0.100 1 338 73 19 C C6 C 143.131 0.100 1 339 73 19 C N1 N 150.899 0.120 1 stop_ save_