data_18549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Helix-35 Stem-loop from E. coli 23S rRNA ; _BMRB_accession_number 18549 _BMRB_flat_file_name bmr18549.str _Entry_type original _Submission_date 2012-06-26 _Accession_date 2012-06-26 _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 Nikonowicz Edward P. . 2 Wang Jiachen . . 3 Moran Sean . . 4 Donarski James . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 185 "13C chemical shifts" 181 "15N chemical shifts" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-24 original author . stop_ _Original_release_date 2013-06-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Helix-35 Stem-loop from E. coli 23S rRNA' _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 Moran Sean . . 2 Donarski James . . 3 Wang Jiachen . . 4 Nikonowicz Edward P. . 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 'Helix-35 Stem-loop from E. coli 23S rRNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RNA $RNA 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass 132.116 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; GGGCUAAUGUUGAAAAAUUA GCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 G 4 4 C 5 5 U 6 6 A 7 7 A 8 8 U 9 9 G 10 10 U 11 11 U 12 12 G 13 13 A 14 14 A 15 15 A 16 16 A 17 17 A 18 18 U 19 19 U 20 20 A 21 21 G 22 22 C 23 23 C 24 24 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 _Details $RNA 'E. coli' 562 Bacteria . Escherichia coli 'E. coli 23S rRNA' 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 $RNA 'enzymatic semisynthesis' . . . . . 'IN VITRO TRANSCRIPTION' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1.2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_NatAb_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1.6 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_NatAb_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1.6 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_CN_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 1.2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 'structure solution' refinement stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing refinement stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CN_H2O save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $CN_D2O save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $CN_D2O save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $CN_D2O save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $NatAb_D2O save_ save_2D_DQF-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $NatAb_D2O save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $NatAb_H2O save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $CN_D2O save_ save_2D_1H-31P_HetCor_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P HetCor' _Sample_label $NatAb_D2O save_ save_2D_1H-15N_HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _Sample_label $CN_D2O save_ save_2D_1H-13C_ctHSQC-31P_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C ctHSQC-31P' _Sample_label $CN_D2O save_ save_2D_1H-15N_HCN_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HCN' _Sample_label $CN_D2O save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CN_H2O save_ ####################### # Sample conditions # ####################### save_25C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 20 . mM stop_ save_ save_10C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 283 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 20 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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_D2Ochemshifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '3D HCCH-TOCSY' '2D 1H-31P HetCor' stop_ loop_ _Sample_label $CN_D2O $NatAb_D2O stop_ _Sample_conditions_label $25C _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RNA _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 C1' C 91.05 0.03 1 2 1 1 G C2' C 76.99 0.03 1 3 1 1 G C3' C 69.30 0.03 1 4 1 1 G C4' C 82.88 0.03 1 5 1 1 G C5' C 64.66 0.03 1 6 1 1 G C8 C 143.88 0.03 1 7 1 1 G H1' H 5.93 0.03 1 8 1 1 G H2' H 4.01 0.03 1 9 1 1 G H3' H 4.24 0.03 1 10 1 1 G H4' H 4.20 0.03 1 11 1 1 G H5' H 4.40 0.03 1 12 1 1 G H5'' H 4.02 0.03 1 13 1 1 G H8 H 8.13 0.03 1 14 2 2 G C1' C 91.52 0.03 1 15 2 2 G C2' C 74.76 0.03 1 16 2 2 G C3' C 72.34 0.03 1 17 2 2 G C4' C 81.28 0.03 1 18 2 2 G C5' C 64.75 0.03 1 19 2 2 G C8 C 139.08 0.03 1 20 2 2 G H1' H 5.92 0.03 1 21 2 2 G H2' H 4.54 0.03 1 22 2 2 G H3' H 4.70 0.03 1 23 2 2 G H4' H 4.48 0.03 1 24 2 2 G H5' H 4.51 0.03 1 25 2 2 G H5'' H 4.16 0.03 1 26 2 2 G H8 H 7.58 0.03 1 27 2 2 G N7 N 234.68 0.06 1 28 2 2 G N9 N 170.65 0.06 1 29 3 3 G C1' C 92.30 0.03 1 30 3 3 G C2' C 74.48 0.03 1 31 3 3 G C3' C 72.16 0.03 1 32 3 3 G C4' C 81.27 0.03 1 33 3 3 G C5' C 64.84 0.03 1 34 3 3 G C8 C 135.99 0.03 1 35 3 3 G H1' H 5.77 0.03 1 36 3 3 G H2' H 4.52 0.03 1 37 3 3 G H3' H 4.42 0.03 1 38 3 3 G H4' H 4.47 0.03 1 39 3 3 G H5' H 4.47 0.03 1 40 3 3 G H5'' H 4.07 0.03 1 41 3 3 G H8 H 7.26 0.03 1 42 3 3 G N7 N 234.99 0.06 1 43 3 3 G N9 N 170.13 0.06 1 44 4 4 C C1' C 93.28 0.03 1 45 4 4 C C2 C 159.00 0.03 1 46 4 4 C C2' C 74.58 0.03 1 47 4 4 C C3' C 71.45 0.03 1 48 4 4 C C4 C 168.47 0.03 1 49 4 4 C C4' C 81.09 0.03 1 50 4 4 C C5 C 97.43 0.03 1 51 4 4 C C5' C 63.86 0.03 1 52 4 4 C C6 C 140.94 0.03 1 53 4 4 C H1' H 5.50 0.03 1 54 4 4 C H2' H 4.42 0.03 1 55 4 4 C H3' H 4.37 0.03 1 56 4 4 C H4' H 4.40 0.03 1 57 4 4 C H5 H 5.23 0.03 1 58 4 4 C H5' H 4.50 0.03 1 59 4 4 C H5'' H 4.03 0.03 1 60 4 4 C H6 H 7.59 0.03 1 61 5 5 U C1' C 92.94 0.03 1 62 5 5 U C2 C 152.51 0.03 1 63 5 5 U C2' C 74.40 0.03 1 64 5 5 U C3' C 71.72 0.03 1 65 5 5 U C4 C 169.44 0.03 1 66 5 5 U C4' C 81.10 0.03 1 67 5 5 U C5 C 103.94 0.03 1 68 5 5 U C5' C 64.04 0.03 1 69 5 5 U C6 C 141.74 0.03 1 70 5 5 U H1' H 5.49 0.03 1 71 5 5 U H2' H 4.56 0.03 1 72 5 5 U H3' H 4.56 0.03 1 73 5 5 U H4' H 4.40 0.03 1 74 5 5 U H5 H 5.48 0.03 1 75 5 5 U H5' H 4.51 0.03 1 76 5 5 U H5'' H 4.08 0.03 1 77 5 5 U H6 H 7.84 0.03 1 78 6 6 A C1' C 91.52 0.03 1 79 6 6 A C2 C 152.14 0.03 1 80 6 6 A C2' C 74.76 0.03 1 81 6 6 A C3' C 72.34 0.03 1 82 6 6 A C4' C 81.28 0.03 1 83 6 6 A C5' C 64.75 0.03 1 84 6 6 A C8 C 139.83 0.03 1 85 6 6 A H1' H 5.87 0.03 1 86 6 6 A H2 H 6.41 0.03 1 87 6 6 A H2' H 4.52 0.03 1 88 6 6 A H3' H 4.70 0.03 1 89 6 6 A H4' H 4.50 0.03 1 90 6 6 A H5' H 4.52 0.03 1 91 6 6 A H5'' H 4.15 0.03 1 92 6 6 A H8 H 8.13 0.03 1 93 6 6 A N1 N 222.05 0.06 1 94 6 6 A N3 N 212.98 0.06 1 95 6 6 A N7 N 231.71 0.06 1 96 6 6 A N9 N 171.25 0.06 1 97 7 7 A C1' C 91.86 0.03 1 98 7 7 A C2 C 153.77 0.03 1 99 7 7 A C2' C 74.76 0.03 1 100 7 7 A C3' C 71.72 0.03 1 101 7 7 A C4' C 81.19 0.03 1 102 7 7 A C5' C 64.21 0.03 1 103 7 7 A C8 C 139.29 0.03 1 104 7 7 A H1' H 5.79 0.03 1 105 7 7 A H2 H 7.62 0.03 1 106 7 7 A H2' H 4.32 0.03 1 107 7 7 A H3' H 4.49 0.03 1 108 7 7 A H4' H 4.42 0.03 1 109 7 7 A H5' H 4.53 0.03 1 110 7 7 A H5'' H 4.09 0.03 1 111 7 7 A H8 H 7.76 0.03 1 112 7 7 A N1 N 222.74 0.06 1 113 7 7 A N3 N 213.59 0.06 1 114 7 7 A N7 N 231.55 0.06 1 115 7 7 A N9 N 171.95 0.06 1 116 8 8 U C1' C 92.23 0.03 1 117 8 8 U C2 C 152.38 0.03 1 118 8 8 U C2' C 74.66 0.03 1 119 8 8 U C3' C 71.89 0.03 1 120 8 8 U C4 C 167.99 0.03 1 121 8 8 U C4' C 81.54 0.03 1 122 8 8 U C5 C 103.41 0.03 1 123 8 8 U C5' C 64.13 0.03 1 124 8 8 U C6 C 140.62 0.03 1 125 8 8 U H1' H 5.32 0.03 1 126 8 8 U H2' H 4.21 0.03 1 127 8 8 U H3' H 4.34 0.03 1 128 8 8 U H4' H 4.29 0.03 1 129 8 8 U H5 H 4.96 0.03 1 130 8 8 U H5' H 4.40 0.03 1 131 8 8 U H5'' H 4.00 0.03 1 132 8 8 U H6 H 7.29 0.03 1 133 9 9 G C1' C 89.82 0.03 1 134 9 9 G C2' C 74.31 0.03 1 135 9 9 G C3' C 74.49 0.03 1 136 9 9 G C5' C 65.46 0.03 1 137 9 9 G C8 C 137.98 0.03 1 138 9 9 G H1' H 5.62 0.03 1 139 9 9 G H2' H 4.41 0.03 1 140 9 9 G H3' H 4.59 0.03 1 141 9 9 G H5' H 4.27 0.03 1 142 9 9 G H5'' H 4.10 0.03 1 143 9 9 G H8 H 7.75 0.03 1 144 9 9 G N7 N 237.80 0.06 1 145 9 9 G N9 N 169.52 0.06 1 146 10 10 U C1' C 90.63 0.03 1 147 10 10 U C2 C 153.55 0.03 1 148 10 10 U C2' C 74.66 0.03 1 149 10 10 U C3' C 74.67 0.03 1 150 10 10 U C4 C 167.45 0.03 1 151 10 10 U C4' C 83.33 0.03 1 152 10 10 U C5 C 104.71 0.03 1 153 10 10 U C5' C 65.91 0.03 1 154 10 10 U C6 C 142.57 0.03 1 155 10 10 U H1' H 5.55 0.03 1 156 10 10 U H2' H 4.16 0.03 1 157 10 10 U H3' H 4.42 0.03 1 158 10 10 U H4' H 4.26 0.03 1 159 10 10 U H5 H 5.39 0.03 1 160 10 10 U H5' H 4.24 0.03 1 161 10 10 U H5'' H 4.03 0.03 1 162 10 10 U H6 H 7.56 0.03 1 163 11 11 U C1' C 90.32 0.03 1 164 11 11 U C2 C 153.83 0.03 1 165 11 11 U C2' C 75.02 0.03 1 166 11 11 U C3' C 76.67 0.03 1 167 11 11 U C4 C 168.40 0.03 1 168 11 11 U C4' C 88.42 0.03 1 169 11 11 U C5 C 105.01 0.03 1 170 11 11 U C5' C 66.27 0.03 1 171 11 11 U C6 C 140.44 0.03 1 172 11 11 U H1' H 5.71 0.03 1 173 11 11 U H2' H 4.27 0.03 1 174 11 11 U H3' H 4.47 0.03 1 175 11 11 U H4' H 4.18 0.03 1 176 11 11 U H5 H 5.68 0.03 1 177 11 11 U H5' H 3.97 0.03 1 178 11 11 U H5'' H 3.94 0.03 1 179 11 11 U H6 H 7.67 0.03 1 180 12 12 G C1' C 89.53 0.03 1 181 12 12 G C2' C 75.47 0.03 1 182 12 12 G C3' C 74.22 0.03 1 183 12 12 G C4' C 83.69 0.03 1 184 12 12 G C5' C 66.45 0.03 1 185 12 12 G C8 C 140.12 0.03 1 186 12 12 G H1' H 5.53 0.03 1 187 12 12 G H2' H 4.64 0.03 1 188 12 12 G H3' H 4.65 0.03 1 189 12 12 G H4' H 4.24 0.03 1 190 12 12 G H5' H 4.05 0.03 1 191 12 12 G H5'' H 3.98 0.03 1 192 12 12 G H8 H 7.81 0.03 1 193 12 12 G N7 N 236.09 0.06 1 194 12 12 G N9 N 168.61 0.06 1 195 13 13 A C1' C 89.51 0.03 1 196 13 13 A C2 C 154.91 0.03 1 197 13 13 A C2' C 75.29 0.03 1 198 13 13 A C3' C 75.29 0.03 1 199 13 13 A C4' C 83.69 0.03 1 200 13 13 A C5' C 66.45 0.03 1 201 13 13 A C8 C 141.92 0.03 1 202 13 13 A H1' H 5.81 0.03 1 203 13 13 A H2 H 7.91 0.03 1 204 13 13 A H2' H 4.67 0.03 1 205 13 13 A H3' H 4.75 0.03 1 206 13 13 A H4' H 4.32 0.03 1 207 13 13 A H5' H 4.10 0.03 1 208 13 13 A H5'' H 4.03 0.03 1 209 13 13 A H8 H 8.09 0.03 1 210 13 13 A N1 N 226.39 0.06 1 211 13 13 A N3 N 217.75 0.06 1 212 13 13 A N7 N 231.24 0.06 1 213 13 13 A N9 N 169.91 0.06 1 214 14 14 A C1' C 89.80 0.03 1 215 14 14 A C2 C 154.72 0.03 1 216 14 14 A C2' C 75.29 0.03 1 217 14 14 A C3' C 75.20 0.03 1 218 14 14 A C4' C 83.69 0.03 1 219 14 14 A C5' C 67.16 0.03 1 220 14 14 A C8 C 141.48 0.03 1 221 14 14 A H1' H 5.63 0.03 1 222 14 14 A H2 H 7.86 0.03 1 223 14 14 A H2' H 4.63 0.03 1 224 14 14 A H3' H 4.68 0.03 1 225 14 14 A H4' H 4.43 0.03 1 226 14 14 A H5' H 4.22 0.03 1 227 14 14 A H5'' H 4.13 0.03 1 228 14 14 A H8 H 7.96 0.03 1 229 14 14 A N1 N 226.00 0.06 1 230 14 14 A N3 N 217.10 0.06 1 231 14 14 A N7 N 232.34 0.06 1 232 14 14 A N9 N 169.26 0.06 1 233 15 15 A C1' C 89.77 0.03 1 234 15 15 A C2 C 154.68 0.03 1 235 15 15 A C2' C 75.29 0.03 1 236 15 15 A C3' C 75.38 0.03 1 237 15 15 A C4' C 81.36 0.03 1 238 15 15 A C5' C 66.36 0.03 1 239 15 15 A C8 C 140.65 0.03 1 240 15 15 A H1' H 5.58 0.03 1 241 15 15 A H2 H 7.78 0.03 1 242 15 15 A H2' H 4.53 0.03 1 243 15 15 A H3' H 4.65 0.03 1 244 15 15 A H4' H 4.40 0.03 1 245 15 15 A H5' H 4.27 0.03 1 246 15 15 A H5'' H 4.14 0.03 1 247 15 15 A H8 H 7.90 0.03 1 248 15 15 A N1 N 225.91 0.06 1 249 15 15 A N3 N 217.12 0.06 1 250 15 15 A N7 N 232.80 0.06 1 251 15 15 A N9 N 169.39 0.06 1 252 16 16 A C1' C 92.00 0.03 1 253 16 16 A C2 C 154.75 0.03 1 254 16 16 A C2' C 76.45 0.03 1 255 16 16 A C3' C 68.94 0.03 1 256 16 16 A C4' C 82.70 0.03 1 257 16 16 A C5' C 64.39 0.03 1 258 16 16 A C8 C 140.89 0.03 1 259 16 16 A H1' H 5.63 0.03 1 260 16 16 A H2 H 7.96 0.03 1 261 16 16 A H2' H 3.88 0.03 1 262 16 16 A H3' H 4.09 0.03 1 263 16 16 A H4' H 4.09 0.03 1 264 16 16 A H5' H 4.33 0.03 1 265 16 16 A H5'' H 3.97 0.03 1 266 16 16 A H8 H 8.01 0.03 1 267 16 16 A N1 N 224.43 0.06 1 268 16 16 A N3 N 216.89 0.06 1 269 16 16 A N7 N 233.12 0.06 1 270 16 16 A N9 N 169.67 0.06 1 271 17 17 A C1' C 91.57 0.03 1 272 17 17 A C2 C 153.80 0.03 1 273 17 17 A C2' C 74.31 0.03 1 274 17 17 A C3' C 72.70 0.03 1 275 17 17 A C4' C 82.62 0.03 1 276 17 17 A C5' C 65.50 0.03 1 277 17 17 A C8 C 140.36 0.03 1 278 17 17 A H1' H 5.61 0.03 1 279 17 17 A H2 H 7.71 0.03 1 280 17 17 A H2' H 4.54 0.03 1 281 17 17 A H3' H 4.53 0.03 1 282 17 17 A H4' H 4.40 0.03 1 283 17 17 A H5' H 4.40 0.03 1 284 17 17 A H5'' H 4.20 0.03 1 285 17 17 A H8 H 8.11 0.03 1 286 17 17 A N1 N 224.26 0.06 1 287 17 17 A N3 N 215.06 0.06 1 288 17 17 A N7 N 231.40 0.06 1 289 17 17 A N9 N 169.43 0.06 1 290 18 18 U C1' C 92.84 0.03 1 291 18 18 U C2 C 152.43 0.03 1 292 18 18 U C2' C 74.40 0.03 1 293 18 18 U C3' C 71.54 0.03 1 294 18 18 U C4 C 169.13 0.03 1 295 18 18 U C4' C 81.36 0.03 1 296 18 18 U C5 C 103.02 0.03 1 297 18 18 U C5' C 64.12 0.03 1 298 18 18 U C6 C 141.67 0.03 1 299 18 18 U H1' H 5.44 0.03 1 300 18 18 U H2' H 4.30 0.03 1 301 18 18 U H3' H 4.36 0.03 1 302 18 18 U H4' H 4.40 0.03 1 303 18 18 U H5 H 5.06 0.03 1 304 18 18 U H5' H 4.45 0.03 1 305 18 18 U H5'' H 4.09 0.03 1 306 18 18 U H6 H 7.57 0.03 1 307 19 19 U C1' C 92.57 0.03 1 308 19 19 U C2 C 152.71 0.03 1 309 19 19 U C2' C 74.49 0.03 1 310 19 19 U C3' C 71.72 0.03 1 311 19 19 U C4 C 168.49 0.03 1 312 19 19 U C4' C 81.28 0.03 1 313 19 19 U C5 C 103.84 0.03 1 314 19 19 U C5' C 64.03 0.03 1 315 19 19 U C6 C 142.08 0.03 1 316 19 19 U H1' H 5.59 0.03 1 317 19 19 U H2' H 4.45 0.03 1 318 19 19 U H3' H 4.58 0.03 1 319 19 19 U H4' H 4.41 0.03 1 320 19 19 U H5 H 5.55 0.03 1 321 19 19 U H5' H 4.49 0.03 1 322 19 19 U H5'' H 4.09 0.03 1 323 19 19 U H6 H 7.92 0.03 1 324 20 20 A C1' C 91.96 0.03 1 325 20 20 A C2 C 152.53 0.03 1 326 20 20 A C2' C 74.66 0.03 1 327 20 20 A C3' C 72.25 0.03 1 328 20 20 A C4' C 81.36 0.03 1 329 20 20 A C5' C 65.19 0.03 1 330 20 20 A C8 C 139.83 0.03 1 331 20 20 A H1' H 5.92 0.03 1 332 20 20 A H2 H 6.67 0.03 1 333 20 20 A H2' H 4.68 0.03 1 334 20 20 A H3' H 4.57 0.03 1 335 20 20 A H4' H 4.52 0.03 1 336 20 20 A H5' H 4.49 0.03 1 337 20 20 A H5'' H 4.22 0.03 1 338 20 20 A H8 H 8.12 0.03 1 339 20 20 A N1 N 221.88 0.06 1 340 20 20 A N3 N 212.68 0.06 1 341 20 20 A N7 N 231.70 0.06 1 342 20 20 A N9 N 171.56 0.06 1 343 21 21 G C1' C 91.69 0.03 1 344 21 21 G C2' C 74.40 0.03 1 345 21 21 G C3' C 71.98 0.03 1 346 21 21 G C4' C 81.10 0.03 1 347 21 21 G C5' C 64.75 0.03 1 348 21 21 G C8 C 135.99 0.03 1 349 21 21 G H1' H 5.56 0.03 1 350 21 21 G H2' H 4.33 0.03 1 351 21 21 G H3' H 4.40 0.03 1 352 21 21 G H4' H 4.39 0.03 1 353 21 21 G H5' H 4.43 0.03 1 354 21 21 G H5'' H 4.05 0.03 1 355 21 21 G H8 H 7.29 0.03 1 356 21 21 G N7 N 235.03 0.06 1 357 21 21 G N9 N 170.17 0.06 1 358 22 22 C C1' C 92.99 0.03 1 359 22 22 C C2 C 158.81 0.03 1 360 22 22 C C2' C 74.58 0.03 1 361 22 22 C C3' C 71.27 0.03 1 362 22 22 C C4 C 168.08 0.03 1 363 22 22 C C4' C 81.01 0.03 1 364 22 22 C C5 C 97.19 0.03 1 365 22 22 C C5' C 63.68 0.03 1 366 22 22 C C6 C 140.94 0.03 1 367 22 22 C H1' H 5.46 0.03 1 368 22 22 C H2' H 4.28 0.03 1 369 22 22 C H3' H 4.36 0.03 1 370 22 22 C H4' H 4.35 0.03 1 371 22 22 C H5 H 5.14 0.03 1 372 22 22 C H5' H 4.47 0.03 1 373 22 22 C H5'' H 4.00 0.03 1 374 22 22 C H6 H 7.60 0.03 1 375 23 23 C C1' C 93.55 0.03 1 376 23 23 C C2 C 158.97 0.03 1 377 23 23 C C2' C 74.67 0.03 1 378 23 23 C C3' C 71.18 0.03 1 379 23 23 C C4 C 168.52 0.03 1 380 23 23 C C4' C 81.10 0.03 1 381 23 23 C C5 C 97.87 0.03 1 382 23 23 C C5' C 63.76 0.03 1 383 23 23 C C6 C 141.45 0.03 1 384 23 23 C H1' H 5.51 0.03 1 385 23 23 C H2' H 4.24 0.03 1 386 23 23 C H3' H 4.44 0.03 1 387 23 23 C H4' H 4.34 0.03 1 388 23 23 C H5 H 5.47 0.03 1 389 23 23 C H5' H 4.49 0.03 1 390 23 23 C H5'' H 3.99 0.03 1 391 23 23 C H6 H 7.77 0.03 1 392 24 24 C C1' C 92.00 0.03 1 393 24 24 C C2 C 159.89 0.03 1 394 24 24 C C2' C 76.72 0.03 1 395 24 24 C C3' C 68.86 0.03 1 396 24 24 C C4 C 168.79 0.03 1 397 24 24 C C4' C 82.62 0.03 1 398 24 24 C C5 C 98.30 0.03 1 399 24 24 C C5' C 64.39 0.03 1 400 24 24 C C6 C 141.89 0.03 1 401 24 24 C H1' H 5.74 0.03 1 402 24 24 C H2' H 3.98 0.03 1 403 24 24 C H3' H 4.15 0.03 1 404 24 24 C H4' H 4.14 0.03 1 405 24 24 C H5 H 5.51 0.03 1 406 24 24 C H5' H 4.44 0.03 1 407 24 24 C H5'' H 4.04 0.03 1 408 24 24 C H6 H 7.69 0.03 1 stop_ save_