data_30026 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the 5'-terminal hairpin of the 7SK snRNA ; _BMRB_accession_number 30026 _BMRB_flat_file_name bmr30026.str _Entry_type original _Submission_date 2016-02-25 _Accession_date 2016-02-25 _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 Bourbigot S. . . 2 Dock-Bregeon A.C. . . 3 Coutant J. . . 4 Kieffer B. . . 5 Lebars I. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 256 "13C chemical shifts" 68 "15N chemical shifts" 23 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-21 update BMRB 'update entry citation' 2016-10-28 original author 'original release' stop_ _Original_release_date 2016-10-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 5'-terminal hairpin of the 7SK small nuclear RNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27852926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bourbigot S. . . 2 Dock-Bregeon A.C. . . 3 Eberling P. . . 4 Coutant J. . . 5 Kieffer B. . . 6 Lebars I. . . stop_ _Journal_abbreviation RNA _Journal_volume 22 _Journal_issue 12 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1844 _Page_last 1858 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "5'-terminal hairpin of the 7SK snRNA" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_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 'RNA (57-MER)' _Molecular_mass 18268.777 _Mol_thiol_state 'not present' _Details RNA ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; GGGAUCUGUCACCCCAUUGA UCGCCUUCGGGCUGAUCUGG CUGGCUAGGCGGGUCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 G 4 4 A 5 5 U 6 6 C 7 7 U 8 8 G 9 9 U 10 10 C 11 11 A 12 12 C 13 13 C 14 14 C 15 15 C 16 16 A 17 17 U 18 18 U 19 19 G 20 20 A 21 21 U 22 22 C 23 23 G 24 24 C 25 25 C 26 26 U 27 27 U 28 28 C 29 29 G 30 30 G 31 31 G 32 32 C 33 33 U 34 34 G 35 35 A 36 36 U 37 37 C 38 38 U 39 39 G 40 40 G 41 41 C 42 42 U 43 43 G 44 44 G 45 45 C 46 46 U 47 47 A 48 48 G 49 49 G 50 50 C 51 51 G 52 52 G 53 53 G 54 54 U 55 55 C 56 56 C 57 57 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 . 32630 . . . . 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 . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM 'natural abundance' $entity_1 0.4 mM '[U-99% 13C; U-99% 15N]' $entity_1 0.4 mM '[U-13C; U-15N]-Ade' $entity_1 0.4 mM '[U-13C; U-15N]-Cyt' $entity_1 0.4 mM '[U-13C; U-15N]-Gua' $entity_1 0.4 mM '[U-13C; U-15N]-Ura' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM 'natural abundance' $entity_1 0.4 mM '[U-99% 13C; U-99% 15N]' $entity_1 0.4 mM '[U-13C; U-15N]-Ade' $entity_1 0.4 mM '[U-13C; U-15N]-Cyt' $entity_1 0.4 mM '[U-13C; U-15N]-Gua' $entity_1 0.4 mM '[U-13C; U-15N]-Ura' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type 'filamentous virus' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-13C; U-15N]-Ade' $entity_1 0.4 mM '[U-13C; U-15N]-Gua' $entity_1 0.4 mM '[U-13C; U-15N]-Ura' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _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 AvanceIII _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 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_2 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HCP_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCP' _Sample_label $sample_2 save_ save_2D_HPCOSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HPCOSY' _Sample_label $sample_2 save_ save_2D_HCN_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCN' _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 6.4 . pH pressure 101325 . Pa temperature 288 . 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 6.4 . pH pressure 101325 . Pa temperature 303 . 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' 50 . mM pH 6.4 . pH pressure 101325 . Pa temperature 303 . 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 TSP C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 TSP H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0.000 external 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_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _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 G H8 H 8.16 0.05 . 2 1 1 G H1' H 5.82 0.05 . 3 1 1 G H2' H 4.91 0.05 . 4 1 1 G H3' H 4.77 0.05 . 5 1 1 G H4' H 4.52 0.05 . 6 1 1 G H5' H 4.27 0.05 . 7 1 1 G H5'' H 4.46 0.05 . 8 1 1 G C8 C 139.41 0.50 . 9 2 2 G H1 H 12.47 0.05 . 10 2 2 G H8 H 7.51 0.05 . 11 2 2 G H1' H 5.92 0.05 . 12 2 2 G H4' H 4.52 0.05 . 13 2 2 G H5' H 4.19 0.05 . 14 2 2 G C8 C 139.77 0.50 . 15 2 2 G C1' C 92.81 0.50 . 16 2 2 G N1 N 147.66 0.05 . 17 3 3 G H1 H 12.12 0.05 . 18 3 3 G H8 H 7.22 0.05 . 19 3 3 G H1' H 5.77 0.05 . 20 3 3 G H3' H 4.49 0.05 . 21 3 3 G H5' H 4.09 0.05 . 22 3 3 G C8 C 136.15 0.50 . 23 3 3 G N1 N 147.28 0.50 . 24 4 4 A H2 H 7.89 0.05 . 25 4 4 A H8 H 7.65 0.05 . 26 4 4 A H1' H 5.97 0.05 . 27 4 4 A H5' H 4.08 0.05 . 28 4 4 A C2 C 154.19 0.50 . 29 4 4 A C8 C 139.15 0.50 . 30 5 5 U H3 H 11.61 0.05 . 31 5 5 U H5 H 5.33 0.05 . 32 5 5 U H6 H 7.55 0.05 . 33 5 5 U H1' H 5.33 0.05 . 34 5 5 U H2' H 4.10 0.05 . 35 5 5 U C5 C 104.01 0.50 . 36 5 5 U C6 C 140.58 0.50 . 37 5 5 U C1' C 93.21 0.50 . 38 5 5 U N3 N 158.69 0.50 . 39 6 6 C H41 H 6.61 0.05 . 40 6 6 C H42 H 8.15 0.05 . 41 6 6 C H5 H 5.59 0.05 . 42 6 6 C H6 H 7.77 0.05 . 43 6 6 C H1' H 5.59 0.05 . 44 7 7 U H3 H 11.41 0.05 . 45 7 7 U H5 H 5.63 0.05 . 46 7 7 U H6 H 7.74 0.05 . 47 7 7 U H1' H 5.58 0.05 . 48 7 7 U N3 N 158.08 0.50 . 49 8 8 G H1 H 12.69 0.05 . 50 8 8 G H8 H 7.86 0.05 . 51 8 8 G H1' H 5.71 0.05 . 52 8 8 G C8 C 137.26 0.50 . 53 8 8 G N1 N 147.66 0.50 . 54 9 9 U H3 H 11.80 0.05 . 55 9 9 U H5 H 5.39 0.05 . 56 9 9 U H6 H 7.69 0.05 . 57 9 9 U H1' H 5.42 0.05 . 58 9 9 U C5 C 104.03 0.50 . 59 9 9 U C6 C 140.78 0.50 . 60 9 9 U C1' C 93.84 0.50 . 61 9 9 U N3 N 158.67 0.50 . 62 10 10 C H41 H 6.61 0.05 . 63 10 10 C H42 H 8.04 0.05 . 64 10 10 C H5 H 5.51 0.05 . 65 10 10 C H6 H 7.84 0.05 . 66 10 10 C H1' H 5.67 0.05 . 67 10 10 C H2' H 4.57 0.05 . 68 10 10 C H3' H 4.50 0.05 . 69 11 11 A H2 H 7.73 0.05 . 70 11 11 A H8 H 8.00 0.05 . 71 11 11 A H1' H 5.82 0.05 . 72 11 11 A C2 C 153.31 0.50 . 73 11 11 A C8 C 140.05 0.50 . 74 12 12 C H41 H 6.83 0.05 . 75 12 12 C H42 H 8.33 0.05 . 76 12 12 C H5 H 5.25 0.05 . 77 12 12 C H6 H 7.42 0.05 . 78 12 12 C H1' H 5.53 0.05 . 79 13 13 C H41 H 6.82 0.05 . 80 13 13 C H42 H 8.00 0.05 . 81 13 13 C H5 H 5.50 0.05 . 82 13 13 C H6 H 7.49 0.05 . 83 13 13 C H1' H 5.47 0.05 . 84 14 14 C H5 H 5.72 0.05 . 85 14 14 C H6 H 7.78 0.05 . 86 14 14 C H1' H 5.45 0.05 . 87 15 15 C H41 H 6.68 0.05 . 88 15 15 C H42 H 7.76 0.05 . 89 15 15 C H5 H 5.51 0.05 . 90 15 15 C H6 H 7.68 0.05 . 91 15 15 C H1' H 5.39 0.05 . 92 16 16 A H2 H 6.99 0.05 . 93 16 16 A H8 H 7.89 0.05 . 94 16 16 A H1' H 5.86 0.05 . 95 16 16 A C2 C 153.64 0.50 . 96 16 16 A C8 C 139.64 0.50 . 97 17 17 U H3 H 10.14 0.05 . 98 17 17 U H5 H 5.28 0.05 . 99 17 17 U H6 H 7.41 0.05 . 100 17 17 U H1' H 5.53 0.05 . 101 17 17 U C1' C 90.75 0.50 . 102 18 18 U H3 H 11.42 0.50 . 103 18 18 U H5 H 5.89 0.05 . 104 18 18 U H6 H 7.86 0.05 . 105 18 18 U H1' H 6.00 0.05 . 106 18 18 U C5 C 105.34 0.50 . 107 18 18 U C6 C 143.90 0.50 . 108 18 18 U C1' C 90.98 0.50 . 109 19 19 G H1 H 12.27 0.05 . 110 19 19 G H8 H 7.85 0.05 . 111 19 19 G H1' H 5.72 0.05 . 112 19 19 G C8 C 137.70 0.50 . 113 19 19 G N1 N 147.24 0.50 . 114 20 20 A H2 H 7.83 0.05 . 115 20 20 A H8 H 7.88 0.05 . 116 20 20 A H1' H 6.02 0.05 . 117 20 20 A C2 C 153.84 0.50 . 118 20 20 A C8 C 139.92 0.50 . 119 21 21 U H3 H 13.92 0.05 . 120 21 21 U H5 H 5.02 0.05 . 121 21 21 U H6 H 7.61 0.05 . 122 21 21 U H1' H 5.88 0.05 . 123 21 21 U C5 C 102.74 0.50 . 124 21 21 U C6 C 141.65 0.50 . 125 21 21 U C1' C 90.60 0.50 . 126 21 21 U N3 N 162.55 0.50 . 127 22 22 C H41 H 6.57 0.05 . 128 22 22 C H42 H 8.06 0.05 . 129 22 22 C H5 H 5.60 0.05 . 130 22 22 C H6 H 7.68 0.05 . 131 22 22 C H1' H 5.55 0.05 . 132 23 23 G H1 H 11.83 0.05 . 133 23 23 G H8 H 7.54 0.05 . 134 23 23 G H1' H 5.61 0.05 . 135 23 23 G H2' H 4.42 0.05 . 136 23 23 G C8 C 136.21 0.50 . 137 24 24 C H41 H 6.66 0.05 . 138 24 24 C H42 H 8.33 0.05 . 139 24 24 C H5 H 5.27 0.05 . 140 24 24 C H6 H 7.75 0.05 . 141 25 25 C H41 H 6.63 0.05 . 142 25 25 C H42 H 8.33 0.05 . 143 25 25 C H5 H 5.46 0.05 . 144 25 25 C H6 H 7.65 0.05 . 145 25 25 C H1' H 5.47 0.05 . 146 26 26 U H3 H 11.53 0.05 . 147 26 26 U H5 H 5.76 0.05 . 148 26 26 U H6 H 7.77 0.05 . 149 26 26 U H1' H 5.59 0.05 . 150 26 26 U H2' H 3.77 0.05 . 151 26 26 U H3' H 4.52 0.05 . 152 26 26 U H4' H 4.36 0.05 . 153 26 26 U H5' H 4.09 0.05 . 154 26 26 U H5'' H 4.50 0.05 . 155 26 26 U C5 C 104.78 0.50 . 156 26 26 U C6 C 140.80 0.50 . 157 26 26 U C1' C 94.59 0.50 . 158 26 26 U C2' C 75.93 0.50 . 159 27 27 U H3 H 11.11 0.05 . 160 27 27 U H5 H 5.85 0.05 . 161 27 27 U H6 H 8.03 0.05 . 162 27 27 U H1' H 6.09 0.05 . 163 27 27 U H2' H 4.00 0.05 . 164 27 27 U H3' H 4.67 0.05 . 165 27 27 U H4' H 4.46 0.05 . 166 27 27 U H5' H 4.04 0.05 . 167 27 27 U H5'' H 4.23 0.05 . 168 27 27 U C5 C 105.44 0.50 . 169 27 27 U C6 C 144.81 0.50 . 170 27 27 U C1' C 89.25 0.50 . 171 27 27 U C4' C 86.93 0.50 . 172 28 28 C H41 H 6.12 0.05 . 173 28 28 C H42 H 6.87 0.05 . 174 28 28 C H5 H 6.13 0.05 . 175 28 28 C H6 H 7.68 0.05 . 176 28 28 C H1' H 5.95 0.05 . 177 28 28 C H2' H 4.09 0.05 . 178 28 28 C H3' H 4.47 0.05 . 179 28 28 C H4' H 3.77 0.05 . 180 28 28 C H5' H 2.72 0.05 . 181 28 28 C H5'' H 3.60 0.05 . 182 29 29 G H1 H 9.58 0.05 . 183 29 29 G H8 H 7.84 0.05 . 184 29 29 G H1' H 5.94 0.05 . 185 29 29 G H2' H 4.86 0.05 . 186 29 29 G H3' H 5.62 0.05 . 187 29 29 G H4' H 4.39 0.05 . 188 29 29 G H5' H 4.17 0.05 . 189 29 29 G H5'' H 4.39 0.05 . 190 29 29 G C8 C 142.94 0.50 . 191 29 29 G C1' C 94.62 0.50 . 192 29 29 G C3' C 75.95 0.50 . 193 29 29 G C5' C 69.08 0.50 . 194 29 29 G N1 N 143.35 0.50 . 195 30 30 G H1 H 12.63 0.05 . 196 30 30 G H8 H 8.28 0.05 . 197 30 30 G H1' H 4.48 0.05 . 198 30 30 G H2' H 4.39 0.05 . 199 30 30 G H3' H 4.29 0.05 . 200 30 30 G H4' H 4.59 0.05 . 201 30 30 G H5' H 4.25 0.05 . 202 30 30 G H5'' H 4.51 0.05 . 203 30 30 G C8 C 138.80 0.50 . 204 30 30 G C1' C 92.97 0.50 . 205 30 30 G C5' C 69.66 0.50 . 206 30 30 G N1 N 147.44 0.50 . 207 31 31 G H1 H 12.92 0.05 . 208 31 31 G H8 H 7.20 0.05 . 209 31 31 G H1' H 5.77 0.05 . 210 31 31 G H2' H 4.45 0.05 . 211 31 31 G H4' H 4.39 0.05 . 212 31 31 G H5' H 4.00 0.05 . 213 31 31 G H5'' H 4.44 0.05 . 214 31 31 G C8 C 136.15 0.50 . 215 31 31 G N1 N 148.55 0.50 . 216 32 32 C H41 H 6.63 0.05 . 217 32 32 C H42 H 8.03 0.05 . 218 32 32 C H5 H 5.20 0.05 . 219 32 32 C H6 H 7.68 0.05 . 220 32 32 C H1' H 5.78 0.05 . 221 32 32 C H2' H 4.31 0.05 . 222 32 32 C H4' H 4.40 0.05 . 223 33 33 U H3 H 9.45 0.05 . 224 33 33 U H5 H 5.83 0.05 . 225 33 33 U H6 H 7.86 0.05 . 226 33 33 U H1' H 5.89 0.05 . 227 33 33 U C5 C 105.03 0.50 . 228 33 33 U C6 C 143.90 0.50 . 229 33 33 U C1' C 91.55 0.50 . 230 34 34 G H1 H 12.10 0.05 . 231 34 34 G H8 H 7.82 0.05 . 232 34 34 G H1' H 5.78 0.05 . 233 34 34 G H2' H 4.90 0.05 . 234 34 34 G H4' H 4.56 0.05 . 235 34 34 G C8 C 137.97 0.50 . 236 34 34 G N1 N 147.02 0.50 . 237 35 35 A H2 H 7.81 0.05 . 238 35 35 A H8 H 7.96 0.05 . 239 35 35 A H1' H 6.02 0.05 . 240 35 35 A H4' H 4.56 0.05 . 241 35 35 A C2 C 153.84 0.50 . 242 35 35 A C8 C 140.32 0.50 . 243 36 36 U H3 H 13.81 0.05 . 244 36 36 U H5 H 4.97 0.05 . 245 36 36 U H6 H 7.60 0.05 . 246 36 36 U H1' H 5.55 0.05 . 247 36 36 U C5 C 102.53 0.50 . 248 36 36 U C6 C 141.65 0.50 . 249 36 36 U C1' C 93.34 0.50 . 250 36 36 U N3 N 162.29 0.50 . 251 37 37 C H41 H 6.63 0.05 . 252 37 37 C H42 H 8.00 0.05 . 253 37 37 C H5 H 5.51 0.05 . 254 37 37 C H6 H 7.64 0.05 . 255 37 37 C H1' H 5.67 0.05 . 256 38 38 U H5 H 5.53 0.05 . 257 38 38 U H6 H 7.74 0.05 . 258 38 38 U H1' H 5.63 0.05 . 259 38 38 U C6 C 141.28 0.50 . 260 38 38 U C1' C 93.04 0.50 . 261 39 39 G H1 H 11.86 0.05 . 262 39 39 G H8 H 7.82 0.05 . 263 39 39 G H1' H 5.73 0.05 . 264 39 39 G C8 C 137.70 0.50 . 265 39 39 G N1 N 147.02 0.50 . 266 40 40 G H1 H 12.48 0.05 . 267 40 40 G H8 H 7.40 0.05 . 268 40 40 G H1' H 5.86 0.05 . 269 40 40 G C8 C 137.27 0.50 . 270 40 40 G N1 N 147.66 0.50 . 271 41 41 C H5 H 5.97 0.05 . 272 41 41 C H6 H 7.76 0.05 . 273 41 41 C H1' H 5.90 0.05 . 274 42 42 U H5 H 5.72 0.05 . 275 42 42 U H6 H 7.79 0.05 . 276 42 42 U H1' H 5.75 0.05 . 277 42 42 U C1' C 92.10 0.50 . 278 43 43 G H1 H 12.30 0.05 . 279 43 43 G H8 H 7.55 0.05 . 280 43 43 G H1' H 5.81 0.05 . 281 43 43 G C8 C 138.49 0.50 . 282 43 43 G N1 N 147.52 0.50 . 283 44 44 G H1 H 12.98 0.05 . 284 44 44 G H8 H 7.59 0.05 . 285 44 44 G H1' H 5.90 0.05 . 286 44 44 G C8 C 137.75 0.50 . 287 44 44 G N1 N 148.55 0.50 . 288 45 45 C H5 H 5.76 0.05 . 289 45 45 C H6 H 7.79 0.05 . 290 45 45 C H1' H 5.83 0.05 . 291 46 46 U H5 H 5.57 0.05 . 292 46 46 U H6 H 7.68 0.05 . 293 46 46 U H1' H 5.95 0.05 . 294 47 47 A H2 H 8.12 0.05 . 295 47 47 A H8 H 8.34 0.05 . 296 47 47 A H1' H 6.09 0.05 . 297 47 47 A C2 C 154.87 0.50 . 298 47 47 A C8 C 141.90 0.50 . 299 48 48 G H1 H 12.12 0.05 . 300 48 48 G H8 H 7.86 0.05 . 301 48 48 G H1' H 5.61 0.05 . 302 48 48 G C8 C 137.72 0.50 . 303 48 48 G N1 N 147.98 0.50 . 304 49 49 G H1 H 11.11 0.05 . 305 49 49 G H8 H 7.29 0.05 . 306 49 49 G H1' H 5.79 0.05 . 307 49 49 G C8 C 137.00 0.50 . 308 49 49 G N1 N 145.00 0.50 . 309 50 50 C H41 H 6.63 0.05 . 310 50 50 C H42 H 8.05 0.05 . 311 50 50 C H5 H 5.31 0.05 . 312 50 50 C H6 H 7.58 0.05 . 313 50 50 C H1' H 5.60 0.05 . 314 51 51 G H1 H 10.08 0.05 . 315 51 51 G H8 H 7.44 0.05 . 316 51 51 G H1' H 5.74 0.05 . 317 51 51 G C8 C 137.27 0.50 . 318 51 51 G N1 N 142.79 0.50 . 319 52 52 G H1 H 12.48 0.05 . 320 52 52 G H8 H 7.29 0.05 . 321 52 52 G H1' H 5.77 0.05 . 322 52 52 G C8 C 136.48 0.50 . 323 52 52 G N1 N 147.66 0.50 . 324 53 53 G H1 H 11.25 0.05 . 325 53 53 G H8 H 7.16 0.05 . 326 53 53 G H1' H 5.78 0.05 . 327 53 53 G C8 C 136.93 0.50 . 328 53 53 G N1 N 144.80 0.50 . 329 54 54 U H3 H 14.17 0.05 . 330 54 54 U H5 H 5.18 0.05 . 331 54 54 U H6 H 7.58 0.05 . 332 54 54 U H1' H 5.57 0.05 . 333 54 54 U C5 C 102.91 0.50 . 334 54 54 U N3 N 163.03 0.50 . 335 55 55 C H41 H 6.77 0.05 . 336 55 55 C H42 H 8.14 0.05 . 337 55 55 C H5 H 5.63 0.05 . 338 55 55 C H6 H 7.92 0.05 . 339 55 55 C H1' H 5.58 0.05 . 340 56 56 C H41 H 6.82 0.05 . 341 56 56 C H42 H 8.15 0.05 . 342 56 56 C H5 H 5.49 0.05 . 343 56 56 C H6 H 7.78 0.05 . 344 56 56 C H1' H 5.49 0.05 . 345 57 57 C H5 H 5.53 0.05 . 346 57 57 C H6 H 7.72 0.05 . 347 57 57 C H1' H 5.77 0.05 . stop_ save_