data_25999 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the St domain of EMCV IRES ; _BMRB_accession_number 25999 _BMRB_flat_file_name bmr25999.str _Entry_type original _Submission_date 2016-03-16 _Accession_date 2016-03-23 _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 Imai Shunsuke . . 2 D'Souza Victoria . . 3 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 "13C chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-12 update BMRB 'update entry citation' 2016-08-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25996 'Solution structure of the J-K region of EMCV IRES' 25998 'Solution structure of the K domain of EMCV IRES' 26000 'Solution structure of the delta-J-delta-K domain of EMCV IRES' 26997 'Solution structure of the J domain of EMCV IRES' stop_ _Original_release_date 2016-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; An accurately preorganized IRES RNA structure enables eIF4G capture for initiation of viral translation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27525590 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Imai Shunsuke . . 2 Hellen Christopher . . 3 D'Souza Victoria . . 4 Wagner Gerhard . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 23 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 859 _Page_last 864 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'St domain of EMCV IRES' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (28-MER)' $RNA_(28-MER) 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_RNA_(28-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(28-MER) _Molecular_mass 9128.561 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; GGGCUGAAGGAUGGAGACGU CUAGGCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 681 G 2 682 G 3 683 G 4 684 C 5 685 U 6 686 G 7 687 A 8 688 A 9 689 G 10 690 G 11 691 A 12 692 U 13 693 G 14 694 G 15 695 A 16 696 G 17 697 A 18 776 C 19 777 G 20 778 U 21 779 C 22 780 U 23 781 A 24 782 G 25 783 G 26 784 C 27 785 C 28 786 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 $RNA_(28-MER) 'Encephalomyocarditis virus' 12104 Viruses . Cardiovirus . 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 $RNA_(28-MER) 'enzymatic semisynthesis' . Escherichia coli . pUC19 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 _Isotopic_labeling $RNA_(28-MER) 0.5 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' D2O 100 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(28-MER) 0.5 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(28-MER) 0.5 mM '[U-13C; U-15N]-Ade, [U-13C; U-15N]-Cyt' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' D2O 100 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(28-MER) 0.5 mM '[U-13C; U-15N]-Gua, [U-13C; U-15N]-Ura' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' D2O 100 % [U-2H] stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(28-MER) 0.5 mM '[U-13C; U-15N]-Ade, [U-13C; U-15N]-Cyt' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(28-MER) 0.5 mM '[U-13C; U-15N]-Gua, [U-13C; U-15N]-Ura' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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_2 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 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 6.5 . pH pressure 1 . atm temperature 308 . 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' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 283 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 5.5 . pH pressure 1 . atm temperature 283 . 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 external direct . . . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (28-MER)' _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 1 681 1 G H1' H 5.88 0.03 1 2 681 1 G H2' H 4.96 0.03 1 3 681 1 G H3' H 4.76 0.03 1 4 681 1 G H4' H 4.60 0.03 1 5 681 1 G H5' H 4.46 0.03 2 6 681 1 G H5'' H 4.33 0.03 2 7 681 1 G H8 H 8.17 0.03 1 8 681 1 G C1' C 88.58 0.1 1 9 681 1 G C2' C 72.57 0.1 1 10 681 1 G C3' C 72.36 0.1 1 11 681 1 G C4' C 80.86 0.1 1 12 681 1 G C5' C 64.78 0.1 1 13 681 1 G C8 C 136.44 0.1 1 14 682 2 G H1' H 5.97 0.03 1 15 682 2 G H2' H 4.74 0.03 1 16 682 2 G H3' H 4.61 0.03 1 17 682 2 G H4' H 4.59 0.03 1 18 682 2 G H5' H 4.33 0.03 2 19 682 2 G H5'' H 4.52 0.03 2 20 682 2 G H8 H 7.62 0.03 1 21 682 2 G C1' C 90.12 0.1 1 22 682 2 G C2' C 72.94 0.1 1 23 682 2 G C3' C 70.68 0.1 1 24 682 2 G C4' C 79.79 0.1 1 25 682 2 G C5' C 63.82 0.1 1 26 682 2 G C8 C 134.28 0.1 1 27 683 3 G H1' H 5.82 0.03 1 28 683 3 G H2' H 4.55 0.03 1 29 683 3 G H3' H 4.46 0.03 1 30 683 3 G H4' H 4.52 0.03 1 31 683 3 G H8 H 7.32 0.03 1 32 683 3 G C1' C 90.38 0.1 1 33 683 3 G C2' C 72.77 0.1 1 34 683 3 G C3' C 70.38 0.1 1 35 683 3 G C4' C 79.47 0.1 1 36 683 3 G C8 C 133.41 0.1 1 37 684 4 C H1' H 5.58 0.03 1 38 684 4 C H2' H 4.66 0.03 1 39 684 4 C H3' H 4.31 0.03 1 40 684 4 C H4' H 4.44 0.03 1 41 684 4 C H5 H 5.19 0.03 1 42 684 4 C H6 H 7.54 0.03 1 43 684 4 C C1' C 91.25 0.1 1 44 684 4 C C2' C 72.79 0.1 1 45 684 4 C C3' C 69.65 0.1 1 46 684 4 C C4' C 79.30 0.1 1 47 684 4 C C5 C 94.61 0.1 1 48 684 4 C C6 C 138.16 0.1 1 49 685 5 U H1' H 5.61 0.03 1 50 685 5 U H2' H 4.42 0.03 1 51 685 5 U H3' H 4.41 0.03 1 52 685 5 U H4' H 4.44 0.03 1 53 685 5 U H5 H 5.62 0.03 1 54 685 5 U H5' H 4.11 0.03 2 55 685 5 U H5'' H 4.42 0.03 2 56 685 5 U H6 H 7.66 0.03 1 57 685 5 U C1' C 91.66 0.1 1 58 685 5 U C2' C 72.87 0.1 1 59 685 5 U C3' C 70.49 0.1 1 60 685 5 U C4' C 80.14 0.1 1 61 685 5 U C5 C 102.44 0.1 1 62 685 5 U C5' C 63.10 0.1 1 63 685 5 U C6 C 138.18 0.1 1 64 686 6 G H1' H 5.38 0.03 1 65 686 6 G H2' H 4.19 0.03 1 66 686 6 G H3' H 4.63 0.03 1 67 686 6 G H4' H 4.47 0.03 1 68 686 6 G H5' H 4.45 0.03 2 69 686 6 G H5'' H 4.12 0.03 2 70 686 6 G H8 H 7.75 0.03 1 71 686 6 G C1' C 88.64 0.1 1 72 686 6 G C2' C 73.27 0.1 1 73 686 6 G C3' C 72.54 0.1 1 74 686 6 G C4' C 81.09 0.1 1 75 686 6 G C5' C 63.40 0.1 1 76 686 6 G C8 C 135.31 0.1 1 77 687 7 A H1' H 5.79 0.03 1 78 687 7 A H2 H 7.59 0.03 1 79 687 7 A H2' H 4.50 0.03 1 80 687 7 A H3' H 4.69 0.03 1 81 687 7 A H4' H 4.55 0.03 1 82 687 7 A H5' H 4.30 0.03 2 83 687 7 A H5'' H 4.14 0.03 2 84 687 7 A H8 H 8.04 0.03 1 85 687 7 A C1' C 87.07 0.1 1 86 687 7 A C2 C 151.93 0.1 1 87 687 7 A C2' C 73.93 0.1 1 88 687 7 A C3' C 73.96 0.1 1 89 687 7 A C4' C 82.53 0.1 1 90 687 7 A C5' C 65.28 0.1 1 91 687 7 A C8 C 138.82 0.1 1 92 688 8 A H1' H 6.03 0.03 1 93 688 8 A H2 H 8.19 0.03 1 94 688 8 A H2' H 4.91 0.03 1 95 688 8 A H3' H 4.81 0.03 1 96 688 8 A H4' H 4.67 0.03 1 97 688 8 A H5' H 4.43 0.03 2 98 688 8 A H5'' H 4.27 0.03 2 99 688 8 A H8 H 8.39 0.03 1 100 688 8 A C1' C 88.07 0.1 1 101 688 8 A C2 C 152.68 0.1 1 102 688 8 A C2' C 73.66 0.1 1 103 688 8 A C3' C 73.56 0.1 1 104 688 8 A C4' C 81.85 0.1 1 105 688 8 A C5' C 64.54 0.1 1 106 688 8 A C8 C 139.41 0.1 1 107 689 9 G H1' H 5.65 0.03 1 108 689 9 G H2' H 4.79 0.03 1 109 689 9 G H3' H 4.66 0.03 1 110 689 9 G H4' H 4.60 0.03 1 111 689 9 G H5' H 4.48 0.03 2 112 689 9 G H5'' H 4.30 0.03 2 113 689 9 G H8 H 7.89 0.03 1 114 689 9 G C1' C 89.56 0.1 1 115 689 9 G C2' C 72.79 0.1 1 116 689 9 G C3' C 71.46 0.1 1 117 689 9 G C4' C 80.35 0.1 1 118 689 9 G C5' C 64.19 0.1 1 119 689 9 G C8 C 135.59 0.1 1 120 690 10 G H1' H 5.66 0.03 1 121 690 10 G H2' H 4.55 0.03 1 122 690 10 G H3' H 4.71 0.03 1 123 690 10 G H4' H 4.55 0.03 1 124 690 10 G H5' H 4.19 0.03 2 125 690 10 G H5'' H 4.49 0.03 2 126 690 10 G H8 H 7.33 0.03 1 127 690 10 G C1' C 90.25 0.1 1 128 690 10 G C2' C 70.57 0.1 1 129 690 10 G C3' C 72.67 0.1 1 130 690 10 G C4' C 79.65 0.1 1 131 690 10 G C5' C 63.24 0.1 1 132 690 10 G C8 C 133.98 0.1 1 133 691 11 A H1' H 6.05 0.03 1 134 691 11 A H2 H 7.88 0.03 1 135 691 11 A H2' H 4.51 0.03 1 136 691 11 A H4' H 4.57 0.03 1 137 691 11 A H5' H 4.61 0.03 2 138 691 11 A H5'' H 4.17 0.03 2 139 691 11 A H8 H 7.72 0.03 1 140 691 11 A C1' C 90.62 0.1 1 141 691 11 A C2 C 151.26 0.1 1 142 691 11 A C2' C 69.87 0.1 1 143 691 11 A C4' C 79.53 0.1 1 144 691 11 A C5' C 62.16 0.1 1 145 691 11 A C8 C 136.62 0.1 1 146 692 12 U H1' H 5.39 0.03 1 147 692 12 U H2' H 4.26 0.03 1 148 692 12 U H3' H 4.53 0.03 1 149 692 12 U H5 H 5.40 0.03 1 150 692 12 U H5' H 4.52 0.03 2 151 692 12 U H5'' H 4.11 0.03 2 152 692 12 U H6 H 7.48 0.03 1 153 692 12 U C1' C 90.38 0.1 1 154 692 12 U C2' C 73.22 0.1 1 155 692 12 U C3' C 70.22 0.1 1 156 692 12 U C5 C 101.57 0.1 1 157 692 12 U C5' C 61.88 0.1 1 158 692 12 U C6 C 137.58 0.1 1 159 693 13 G H1' H 5.79 0.03 1 160 693 13 G H2' H 4.64 0.03 1 161 693 13 G H4' H 4.47 0.03 1 162 693 13 G H5' H 4.50 0.03 2 163 693 13 G H5'' H 4.18 0.03 2 164 693 13 G H8 H 7.77 0.03 1 165 693 13 G C1' C 89.88 0.1 1 166 693 13 G C2' C 73.01 0.1 1 167 693 13 G C4' C 79.54 0.1 1 168 693 13 G C5' C 63.25 0.1 1 169 693 13 G C8 C 134.30 0.1 1 170 694 14 G H1' H 5.70 0.03 1 171 694 14 G H2' H 4.38 0.03 1 172 694 14 G H3' H 4.62 0.03 1 173 694 14 G H4' H 4.39 0.03 1 174 694 14 G H5' H 4.46 0.03 2 175 694 14 G H5'' H 4.15 0.03 2 176 694 14 G H8 H 7.30 0.03 1 177 694 14 G C1' C 90.59 0.1 1 178 694 14 G C2' C 72.91 0.1 1 179 694 14 G C3' C 70.04 0.1 1 180 694 14 G C4' C 79.85 0.1 1 181 694 14 G C5' C 62.42 0.1 1 182 694 14 G C8 C 133.66 0.1 1 183 695 15 A H1' H 5.78 0.03 1 184 695 15 A H2 H 7.98 0.03 1 185 695 15 A H2' H 4.73 0.03 1 186 695 15 A H3' H 4.46 0.03 1 187 695 15 A H4' H 4.26 0.03 1 188 695 15 A H5' H 4.27 0.03 2 189 695 15 A H5'' H 3.95 0.03 2 190 695 15 A H8 H 8.26 0.03 1 191 695 15 A C1' C 89.44 0.1 1 192 695 15 A C2 C 151.99 0.1 1 193 695 15 A C2' C 73.30 0.1 1 194 695 15 A C3' C 71.22 0.1 1 195 695 15 A C4' C 80.83 0.1 1 196 695 15 A C5' C 62.04 0.1 1 197 695 15 A C8 C 139.26 0.1 1 198 696 16 G H1' H 5.21 0.03 1 199 696 16 G H2' H 4.36 0.03 1 200 696 16 G H3' H 4.64 0.03 1 201 696 16 G H4' H 4.33 0.03 1 202 696 16 G H5' H 4.16 0.03 2 203 696 16 G H5'' H 3.99 0.03 2 204 696 16 G H8 H 7.63 0.03 1 205 696 16 G C1' C 89.15 0.1 1 206 696 16 G C2' C 73.02 0.1 1 207 696 16 G C3' C 71.87 0.1 1 208 696 16 G C4' C 80.67 0.1 1 209 696 16 G C5' C 63.01 0.1 1 210 696 16 G C8 C 135.04 0.1 1 211 697 17 A H1' H 6.11 0.03 1 212 697 17 A H2 H 8.26 0.03 1 213 697 17 A H2' H 4.62 0.03 1 214 697 17 A H3' H 4.92 0.03 1 215 697 17 A H4' H 4.50 0.03 1 216 697 17 A H5' H 4.56 0.03 2 217 697 17 A H5'' H 4.28 0.03 2 218 697 17 A H8 H 8.26 0.03 1 219 697 17 A C1' C 88.86 0.1 1 220 697 17 A C2 C 152.98 0.1 1 221 697 17 A C2' C 74.03 0.1 1 222 697 17 A C3' C 71.04 0.1 1 223 697 17 A C4' C 80.24 0.1 1 224 697 17 A C5' C 63.13 0.1 1 225 697 17 A C8 C 137.99 0.1 1 226 776 18 C H1' H 4.17 0.03 1 227 776 18 C H2' H 4.18 0.03 1 228 776 18 C H3' H 4.50 0.03 1 229 776 18 C H4' H 4.26 0.03 1 230 776 18 C H5 H 6.08 0.03 1 231 776 18 C H5' H 4.28 0.03 2 232 776 18 C H6 H 7.88 0.03 1 233 776 18 C C1' C 91.28 0.1 1 234 776 18 C C2' C 71.96 0.1 1 235 776 18 C C3' C 72.65 0.1 1 236 776 18 C C4' C 79.77 0.1 1 237 776 18 C C5 C 96.79 0.1 1 238 776 18 C C5' C 65.66 0.1 1 239 776 18 C C6 C 139.14 0.1 1 240 777 19 G H1' H 5.77 0.03 1 241 777 19 G H2' H 4.25 0.03 1 242 777 19 G H3' H 4.48 0.03 1 243 777 19 G H4' H 4.48 0.03 1 244 777 19 G H5' H 4.38 0.03 2 245 777 19 G H5'' H 4.09 0.03 2 246 777 19 G H8 H 7.67 0.03 1 247 777 19 G C1' C 91.04 0.1 1 248 777 19 G C2' C 71.12 0.1 1 249 777 19 G C4' C 79.89 0.1 1 250 777 19 G C5' C 64.58 0.1 1 251 777 19 G C8 C 135.12 0.1 1 252 778 20 U H1' H 5.54 0.03 1 253 778 20 U H2' H 4.43 0.03 1 254 778 20 U H3' H 4.54 0.03 1 255 778 20 U H5 H 5.20 0.03 1 256 778 20 U H6 H 7.77 0.03 1 257 778 20 U C1' C 91.21 0.1 1 258 778 20 U C2' C 72.80 0.1 1 259 778 20 U C3' C 69.30 0.1 1 260 778 20 U C5 C 100.18 0.1 1 261 778 20 U C6 C 138.78 0.1 1 262 779 21 C H1' H 5.61 0.03 1 263 779 21 C H2' H 4.49 0.03 1 264 779 21 C H3' H 4.42 0.03 1 265 779 21 C H5 H 5.61 0.03 1 266 779 21 C H6 H 7.80 0.03 1 267 779 21 C C1' C 91.53 0.1 1 268 779 21 C C2' C 72.94 0.1 1 269 779 21 C C3' C 69.72 0.1 1 270 779 21 C C5 C 94.98 0.1 1 271 779 21 C C6 C 138.92 0.1 1 272 780 22 U H1' H 5.70 0.03 1 273 780 22 U H2' H 4.39 0.03 1 274 780 22 U H3' H 4.65 0.03 1 275 780 22 U H5 H 5.55 0.03 1 276 780 22 U H5' H 4.53 0.03 2 277 780 22 U H5'' H 4.13 0.03 2 278 780 22 U H6 H 7.76 0.03 1 279 780 22 U C1' C 90.80 0.1 1 280 780 22 U C2' C 73.10 0.1 1 281 780 22 U C3' C 70.75 0.1 1 282 780 22 U C5 C 101.90 0.1 1 283 780 22 U C5' C 61.46 0.1 1 284 780 22 U C6 C 138.76 0.1 1 285 781 23 A H1' H 5.91 0.03 1 286 781 23 A H2 H 7.49 0.03 1 287 781 23 A H2' H 4.75 0.03 1 288 781 23 A H3' H 4.79 0.03 1 289 781 23 A H4' H 4.72 0.03 1 290 781 23 A H5' H 4.37 0.03 2 291 781 23 A H5'' H 4.26 0.03 2 292 781 23 A H8 H 8.20 0.03 1 293 781 23 A C1' C 86.60 0.1 1 294 781 23 A C2 C 152.55 0.1 1 295 781 23 A C2' C 72.83 0.1 1 296 781 23 A C3' C 74.31 0.1 1 297 781 23 A C4' C 81.86 0.1 1 298 781 23 A C5' C 64.78 0.1 1 299 781 23 A C8 C 138.54 0.1 1 300 782 24 G H1' H 5.77 0.03 1 301 782 24 G H2' H 4.84 0.03 1 302 782 24 G H3' H 4.51 0.03 1 303 782 24 G H4' H 4.63 0.03 1 304 782 24 G H5' H 4.41 0.03 2 305 782 24 G H5'' H 4.39 0.03 2 306 782 24 G H8 H 7.92 0.03 1 307 782 24 G C1' C 90.28 0.1 1 308 782 24 G C2' C 72.42 0.1 1 309 782 24 G C3' C 71.91 0.1 1 310 782 24 G C4' C 80.49 0.1 1 311 782 24 G C5' C 65.90 0.1 1 312 782 24 G C8 C 135.43 0.1 1 313 783 25 G H1' H 5.82 0.03 1 314 783 25 G H2' H 4.51 0.03 1 315 783 25 G H5' H 4.22 0.03 2 316 783 25 G H5'' H 4.59 0.03 2 317 783 25 G H8 H 7.42 0.03 1 318 783 25 G C1' C 90.42 0.1 1 319 783 25 G C5' C 62.30 0.1 1 320 783 25 G C8 C 133.77 0.1 1 321 784 26 C H1' H 5.61 0.03 1 322 784 26 C H4' H 4.48 0.03 1 323 784 26 C H5 H 5.31 0.03 1 324 784 26 C H6 H 7.73 0.03 1 325 784 26 C C1' C 91.32 0.1 1 326 784 26 C C4' C 79.30 0.1 1 327 784 26 C C5 C 94.52 0.1 1 328 784 26 C C6 C 138.42 0.1 1 329 785 27 C H1' H 5.58 0.03 1 330 785 27 C H2' H 4.33 0.03 1 331 785 27 C H3' H 4.52 0.03 1 332 785 27 C H5 H 5.59 0.03 1 333 785 27 C H6 H 7.84 0.03 1 334 785 27 C C1' C 91.80 0.1 1 335 785 27 C C2' C 72.97 0.1 1 336 785 27 C C5 C 95.21 0.1 1 337 785 27 C C6 C 138.79 0.1 1 338 786 28 C H1' H 5.81 0.03 1 339 786 28 C H2' H 4.23 0.03 1 340 786 28 C H3' H 4.05 0.03 1 341 786 28 C H4' H 4.22 0.03 1 342 786 28 C H5 H 5.59 0.03 1 343 786 28 C H5' H 4.53 0.03 2 344 786 28 C H5'' H 4.08 0.03 2 345 786 28 C H6 H 7.74 0.03 1 346 786 28 C C1' C 90.21 0.1 1 347 786 28 C C2' C 67.18 0.1 1 348 786 28 C C3' C 74.91 0.1 1 349 786 28 C C4' C 80.92 0.1 1 350 786 28 C C5 C 95.50 0.1 1 351 786 28 C C5' C 62.58 0.1 1 352 786 28 C C6 C 139.25 0.1 1 stop_ save_