data_25049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A Structure based mechanism for tRNA and retroviral RNA remodeling during primer annealing ; _BMRB_accession_number 25049 _BMRB_flat_file_name bmr25049.str _Entry_type original _Submission_date 2015-10-16 _Accession_date 2015-10-16 _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 D'Souza Victoria . . 2 Yildiz Zehra . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 397 "13C chemical shifts" 296 "15N chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-16 update BMRB 'update entry citation' 2014-09-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25052 'RNA (68-MER) and Nucleocapsid protein p10' 25100 'pf tRNApro:MLV-Nucleocapsid (1:2) Complex' 25101 'tRNApro:MLV Nucleocapsid Protein (1:1) Complex' stop_ _Original_release_date 2015-10-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25209668 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miller Sarah B. . 2 Yildiz F. Zehra . 3 Lo Jennifer A. . 4 Wang Bo . . 5 D'Souza Victoria M. . stop_ _Journal_abbreviation Nature _Journal_volume 515 _Journal_issue 7528 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 591 _Page_last 595 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA (68-MER)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (68-MER)' $RNA_(68-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_(68-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(68-MER) _Molecular_mass 21894.025 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GGGCGAGGGUCUCCUCUGAG UGAUUGACUACCCGUCAGCG GGGGUCUUUCAUUUGGGGGC UCGUGCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 93 G 2 94 G 3 95 G 4 96 C 5 97 G 6 98 A 7 99 G 8 100 G 9 101 G 10 102 U 11 103 C 12 104 U 13 105 C 14 106 C 15 107 U 16 108 C 17 109 U 18 110 G 19 111 A 20 112 G 21 113 U 22 114 G 23 115 A 24 116 U 25 117 U 26 118 G 27 119 A 28 120 C 29 121 U 30 122 A 31 123 C 32 124 C 33 125 C 34 126 G 35 127 U 36 128 C 37 129 A 38 130 G 39 131 C 40 132 G 41 133 G 42 134 G 43 135 G 44 136 G 45 137 U 46 138 C 47 139 U 48 140 U 49 141 U 50 142 C 51 143 A 52 144 U 53 145 U 54 146 U 55 147 G 56 148 G 57 149 G 58 150 G 59 151 G 60 152 C 61 153 U 62 154 C 63 155 G 64 156 U 65 157 G 66 158 C 67 159 C 68 160 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_(68-MER) 'Murine Leukemia Virus' 11786 Viruses . Gammaretrovirus . 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_(68-MER) 'recombinant technology' . . . . pNCA 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_(68-MER) 0.8 mM '[U-100% 13C; U-100% 15N]' Tris 10 mM 'natural abundance' NaCl 10 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Guntert, Mumenthaler and Wuthrich' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' processing 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESYin_H2O_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESYin H2O' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESYin_D2O_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESYin D2O' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 20 . mM pH 7.2 . pH pressure 1 . atm temperature 311 . 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 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 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' '2D 1H-1H NOESYin H2O' '2D 1H-1H NOESYin D2O' '3D 1H-13C NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (68-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 93 1 G H1' H 5.84074727273 0.0 1 2 93 1 G H2' H 4.92399272727 0.0 1 3 93 1 G H3' H 4.56481 0.0 1 4 93 1 G H4' H 4.565196 0.0 1 5 93 1 G H5' H 4.27971 0.0 2 6 93 1 G H5'' H 4.4264275 0.0 2 7 93 1 G H8 H 8.14055454545 0.0 1 8 93 1 G C1' C 91.03584 0.0 1 9 93 1 G C2' C 74.78263 0.0 1 10 93 1 G C4' C 83.54225 0.0 1 11 93 1 G C5' C 67.28905 0.0 1 12 93 1 G C8 C 139.15388 0.0 1 13 94 2 G H1' H 5.933185 0.0 1 14 94 2 G H8 H 7.57025333333 0.0 1 15 94 2 G C8 C 136.96826 0.0 1 16 95 3 G H1' H 5.80164 0.0 1 17 95 3 G H8 H 7.27277428571 0.0 1 18 95 3 G C8 C 136.03156 0.0 1 19 96 4 C H1' H 5.54578 0.0 1 20 96 4 C H5 H 5.192855 0.0 1 21 96 4 C H6 H 7.42615 0.0 1 22 96 4 C C5 C 97.592715 0.0 1 23 96 4 C C6 C 140.402816667 0.0 1 24 97 5 G H1' H 5.718052 0.0 1 25 97 5 G H8 H 7.5683525 0.0 1 26 97 5 G C1' C 92.90923 0.0 1 27 97 5 G C8 C 137.59271 0.0 1 28 98 6 A H1' H 5.98832 0.0 1 29 98 6 A H2 H 7.985585 0.0 1 30 98 6 A H8 H 7.913465 0.0 1 31 98 6 A C1' C 89.21347 0.0 1 32 98 6 A C2 C 152.11711 0.0 1 33 98 6 A C8 C 137.32875 0.0 1 34 99 7 G H1' H 5.52807333333 0.0 1 35 99 7 G H8 H 7.3065 0.0 1 36 99 7 G C1' C 92.28477 0.0 1 37 100 8 G H8 H 7.77999 0.0 1 38 101 9 G H1' H 5.769915 0.0 1 39 101 9 G H8 H 7.19931 0.0 1 40 101 9 G C1' C 92.90923 0.0 1 41 101 9 G C8 C 136.254585714 0.0 1 42 102 10 U H5 H 5.48562 0.0 1 43 102 10 U H6 H 7.70198 0.0 1 44 102 10 U C5 C 101.56972 0.0 1 45 102 10 U C6 C 137.78871 0.0 1 46 103 11 C H6 H 7.86785666667 0.0 1 47 103 11 C C6 C 142.58846 0.0 1 48 104 12 U H5 H 5.66443 0.0 1 49 104 12 U H6 H 7.91112666667 0.0 1 50 104 12 U C6 C 138.898635 0.0 1 51 105 13 C H1' H 5.54629 0.0 1 52 105 13 C H5 H 5.6632575 0.0 1 53 105 13 C H6 H 7.98627 0.0 1 54 105 13 C C5 C 97.28049 0.0 1 55 105 13 C C6 C 142.58846 0.0 1 56 107 15 U H1' H 5.62615666667 0.0 1 57 107 15 U H5 H 5.762008 0.0 1 58 107 15 U H6 H 7.86787833333 0.0 1 59 107 15 U C1' C 80.62447 0.0 1 60 107 15 U C5 C 102.19418 0.0 1 61 107 15 U C6 C 139.99146 0.0 1 62 108 16 C H1' H 5.43489 0.0 1 63 108 16 C H2' H 3.91959 0.0 1 64 108 16 C H3' H 4.334615 0.0 1 65 108 16 C H4' H 4.14743 0.0 1 66 108 16 C H5 H 5.55108 0.0 1 67 108 16 C H6 H 7.658466 0.0 1 68 108 16 C C1' C 92.597 0.0 1 69 108 16 C C2' C 76.0315942857 0.0 1 70 108 16 C C3' C 73.5337 0.0 1 71 108 16 C C4' C 82.91779 0.0 1 72 108 16 C C5 C 97.28049 0.0 1 73 108 16 C C6 C 142.58846 0.0 1 74 109 17 U H1' H 5.56443368421 0.0 1 75 109 17 U H2' H 4.02364 0.0 1 76 109 17 U H3' H 4.43527769231 0.0 1 77 109 17 U H4' H 3.89735 0.0 1 78 109 17 U H5 H 5.46789 0.0 1 79 109 17 U H6 H 7.46752625 0.0 1 80 109 17 U C1' C 88.2164257143 0.0 1 81 109 17 U C2' C 75.6567822222 0.0 1 82 109 17 U C3' C 74.05903 0.0 1 83 109 17 U C5 C 102.506412 0.0 1 84 109 17 U C6 C 139.98286 0.0 1 85 110 18 G H1' H 5.63013 0.0 1 86 110 18 G H2' H 4.71709352941 0.0 1 87 110 18 G H3' H 4.41951 0.0 1 88 110 18 G H4' H 4.06784222222 0.0 1 89 110 18 G H8 H 7.784255 0.0 1 90 110 18 G C1' C 90.0991285714 0.0 1 91 110 18 G C2' C 75.875445 0.0 1 92 110 18 G C3' C 84.16672 0.0 1 93 110 18 G C4' C 87.60128 0.0 1 94 110 18 G C8 C 139.46613 0.0 1 95 111 19 A H1' H 5.95457666667 0.0 1 96 111 19 A H2 H 7.74352333333 0.0 1 97 111 19 A H8 H 8.24659 0.0 1 98 111 19 A C1' C 88.35735 0.0 1 99 111 19 A C2 C 151.4808 0.0 1 100 111 19 A C8 C 138.70088 0.0 1 101 112 20 G H1' H 5.62678 0.0 1 102 112 20 G H2' H 4.314033 0.0 1 103 112 20 G H3' H 4.50516777778 0.0 1 104 112 20 G H5' H 4.16626444444 0.0 2 105 112 20 G H5'' H 4.38856666667 0.0 2 106 112 20 G H8 H 7.47084 0.0 1 107 112 20 G C1' C 92.597 0.0 1 108 112 20 G C2' C 73.84593 0.0 1 109 112 20 G C3' C 82.9177971429 0.0 1 110 112 20 G C5' C 66.97681 0.0 1 111 112 20 G C8 C 137.28049125 0.0 1 112 113 21 U H1' H 5.53850166667 0.0 1 113 113 21 U H5 H 5.25456777778 0.0 1 114 113 21 U H6 H 7.65017888889 0.0 1 115 113 21 U C1' C 90.9367 0.0 1 116 113 21 U C5 C 100.945258333 0.0 1 117 113 21 U C6 C 138.10094 0.0 1 118 114 22 G H1' H 5.834918 0.0 1 119 114 22 G H8 H 7.70095571429 0.0 1 120 114 22 G C1' C 92.28477 0.0 1 121 114 22 G C8 C 136.3438 0.0 1 122 115 23 A H1' H 5.86608 0.0 1 123 115 23 A H2 H 7.87557 0.0 1 124 115 23 A H8 H 7.57035 0.0 1 125 115 23 A C1' C 90.54239 0.0 1 126 115 23 A C2 C 151.03818 0.0 1 127 115 23 A C8 C 136.39948 0.0 1 128 116 24 U H1' H 5.022426 0.0 1 129 116 24 U H5 H 5.2178175 0.0 1 130 116 24 U H6 H 7.24942625 0.0 1 131 116 24 U C1' C 91.26601 0.0 1 132 116 24 U C5 C 101.257491429 0.0 1 133 116 24 U C6 C 137.476474 0.0 1 134 117 25 U H1' H 5.36995 0.0 1 135 117 25 U H5 H 5.56624875 0.0 1 136 117 25 U H6 H 7.77335888889 0.0 1 137 117 25 U C1' C 91.26601 0.0 1 138 117 25 U C5 C 101.25748 0.0 1 139 117 25 U C6 C 140.168496 0.0 1 140 118 26 G H1' H 5.74293 0.0 1 141 118 26 G H8 H 7.782265 0.0 1 142 118 26 G C1' C 90.7236 0.0 1 143 118 26 G C8 C 136.968268333 0.0 1 144 119 27 A H1' H 6.030555 0.0 1 145 119 27 A H2 H 7.95419 0.0 1 146 119 27 A H8 H 7.85738 0.0 1 147 119 27 A C2 C 152.12597 0.0 1 148 119 27 A C2' C 4.74587 0.0 1 149 119 27 A C8 C 134.027975 0.0 1 150 120 28 C H1' H 5.404055 0.0 1 151 120 28 C H5 H 5.13036 0.0 1 152 120 28 C H6 H 7.32826 0.0 1 153 120 28 C C1' C 94.15816 0.0 1 154 120 28 C C5 C 97.2805 0.0 1 155 120 28 C C6 C 140.71506 0.0 1 156 121 29 U H1' H 5.76404666667 0.0 1 157 121 29 U H5 H 5.564794 0.0 1 158 121 29 U H6 H 7.78405428571 0.0 1 159 121 29 U C1' C 96.10564 0.0 1 160 121 29 U C5 C 101.153403333 0.0 1 161 122 30 A H1' H 6.172795 0.0 1 162 122 30 A H2 H 8.22186 0.0 1 163 122 30 A H2' H 4.88621 0.0 1 164 122 30 A H3' H 4.82767 0.0 1 165 122 30 A H4' H 4.58932 0.0 1 166 122 30 A H5' H 4.3746 0.0 2 167 122 30 A H5'' H 4.27109 0.0 2 168 122 30 A H8 H 8.40145 0.0 1 169 122 30 A C1' C 88.05576 0.0 1 170 122 30 A C2 C 152.86835 0.0 1 171 122 30 A C2' C 73.56992 0.0 1 172 122 30 A C3' C 73.02019 0.0 1 173 122 30 A C4' C 82.04434 0.0 1 174 122 30 A C5' C 64.60847 0.0 1 175 122 30 A C8 C 139.37634 0.0 1 176 123 31 C H1' H 5.3775 0.0 1 177 123 31 C H5 H 5.88157833333 0.0 1 178 123 31 C H6 H 7.96417 0.0 1 179 123 31 C C5 C 98.21719 0.0 1 180 123 31 C C6 C 142.58846 0.0 1 181 124 32 C H5 H 5.5426 0.0 1 182 124 32 C H6 H 7.874836 0.0 1 183 124 32 C C6 C 141.65175 0.0 1 184 125 33 C H1' H 5.50647 0.0 1 185 125 33 C H5 H 5.46444 0.0 1 186 125 33 C H6 H 7.75866 0.0 1 187 126 34 G H1' H 5.70929 0.0 1 188 126 34 G H8 H 7.4871975 0.0 1 189 126 34 G C8 C 136.3438 0.0 1 190 127 35 U H1' H 5.4006 0.0 1 191 127 35 U H5 H 5.411975 0.0 1 192 127 35 U H6 H 7.560596 0.0 1 193 127 35 U C1' C 91.26601 0.0 1 194 127 35 U C5 C 111.248915 0.0 1 195 127 35 U C6 C 138.41318 0.0 1 196 128 36 C H1' H 6.01922 0.0 1 197 128 36 C H5 H 6.01757666667 0.0 1 198 128 36 C H6 H 7.97277142857 0.0 1 199 128 36 C C5 C 99.46612 0.0 1 200 128 36 C C6 C 144.47894 0.0 1 201 129 37 A H1' H 5.88523 0.0 1 202 129 37 A H2 H 7.96448 0.0 1 203 129 37 A H8 H 8.14223 0.0 1 204 129 37 A C1' C 87.52675 0.0 1 205 129 37 A C2 C 152.65019 0.0 1 206 129 37 A C8 C 138.69763 0.0 1 207 130 38 G H1' H 5.93030428571 0.0 1 208 130 38 G H2' H 4.81990285714 0.0 1 209 130 38 G H3' H 5.29119285714 0.0 1 210 130 38 G H8 H 7.86955833333 0.0 1 211 130 38 G C1' C 93.5337 0.0 1 212 130 38 G C2' C 76.65603 0.0 1 213 130 38 G C3' C 76.03156 0.0 1 214 130 38 G C8 C 142.276205 0.0 1 215 131 39 C H5 H 5.99038 0.0 1 216 131 39 C H6 H 8.065525 0.0 1 217 131 39 C C5 C 99.15388 0.0 1 218 132 40 G H1' H 5.67691 0.0 1 219 132 40 G H8 H 7.61217666667 0.0 1 220 132 40 G C8 C 136.3438 0.0 1 221 133 41 G H1' H 5.7328 0.0 1 222 133 41 G H8 H 7.19787333333 0.0 1 223 133 41 G C8 C 135.71933 0.0 1 224 134 42 G H1' H 5.75087 0.0 1 225 134 42 G H8 H 7.02475166667 0.0 1 226 134 42 G C8 C 135.71933 0.0 1 227 135 43 G H1' H 5.70118 0.0 1 228 135 43 G H8 H 7.2913 0.0 1 229 135 43 G C8 C 136.65604 0.0 1 230 136 44 G H1' H 5.6097 0.0 1 231 136 44 G H2' H 4.42297666667 0.0 1 232 136 44 G H8 H 7.291105 0.0 1 233 136 44 G C2' C 84.16672 0.0 1 234 136 44 G C8 C 136.3438 0.0 1 235 137 45 U H5 H 5.058635 0.0 1 236 137 45 U H6 H 7.741245 0.0 1 237 137 45 U C5 C 99.69631 0.0 1 238 137 45 U C6 C 139.34987 0.0 1 239 138 46 C H1' H 5.59426666667 0.0 1 240 138 46 C C1' C 93.84593 0.0 1 241 139 47 U H1' H 5.53228142857 0.0 1 242 139 47 U H6 H 7.779898 0.0 1 243 139 47 U C1' C 91.57826 0.0 1 244 139 47 U C6 C 138.72542 0.0 1 245 140 48 U H1' H 5.35234444444 0.0 1 246 140 48 U H5 H 5.62432571429 0.0 1 247 140 48 U H6 H 7.864648 0.0 1 248 140 48 U C1' C 95.574848 0.0 1 249 140 48 U C5 C 100.633013333 0.0 1 250 140 48 U C6 C 140.5988 0.0 1 251 141 49 U H1' H 5.74614 0.0 1 252 141 49 U H5 H 5.798543 0.0 1 253 141 49 U H6 H 8.029811 0.0 1 254 141 49 U C1' C 90.01711 0.0 1 255 141 49 U C5 C 100.94525 0.0 1 256 141 49 U C6 C 140.5988 0.0 1 257 142 50 C H1' H 5.560582 0.0 1 258 142 50 C H5 H 5.713088 0.0 1 259 142 50 C H6 H 7.74510666667 0.0 1 260 142 50 C C1' C 94.15816 0.0 1 261 142 50 C C5 C 98.21719 0.0 1 262 142 50 C C6 C 141.9639925 0.0 1 263 143 51 A H1' H 5.93903 0.0 1 264 143 51 A H2 H 7.40083 0.0 1 265 143 51 A H8 H 8.02385 0.0 1 266 143 51 A C1' C 90.52962 0.0 1 267 143 51 A C2 C 150.72108 0.0 1 268 143 51 A C8 C 137.00296 0.0 1 269 144 52 U H1' H 5.410585 0.0 1 270 144 52 U H2' H 4.08326 0.0 1 271 144 52 U H5 H 5.40721125 0.0 1 272 144 52 U H6 H 7.55867444444 0.0 1 273 144 52 U C1' C 90.32934 0.0 1 274 144 52 U C5 C 110.312224 0.0 1 275 144 52 U C6 C 138.10094 0.0 1 276 145 53 U H1' H 5.86488888889 0.0 1 277 145 53 U H5 H 5.56659 0.0 1 278 145 53 U H6 H 7.79296666667 0.0 1 279 145 53 U C1' C 89.0633 0.0 1 280 145 53 U C5 C 101.5697 0.0 1 281 145 53 U C6 C 140.59879 0.0 1 282 146 54 U H1' H 5.62684285714 0.0 1 283 146 54 U H5 H 5.76193571429 0.0 1 284 146 54 U H6 H 7.865428 0.0 1 285 146 54 U C1' C 90.62447 0.0 1 286 146 54 U C5 C 101.56972 0.0 1 287 146 54 U C6 C 138.632733333 0.0 1 288 147 55 G H1' H 5.79365 0.0 1 289 147 55 G H8 H 7.80713333333 0.0 1 290 147 55 G C1' C 91.97253 0.0 1 291 147 55 G C8 C 136.96826 0.0 1 292 148 56 G H1' H 5.857215 0.0 1 293 148 56 G H8 H 7.31548555556 0.0 1 294 148 56 G C8 C 136.65604 0.0 1 295 149 57 G H1' H 5.810445 0.0 1 296 149 57 G H8 H 7.16226571429 0.0 1 297 149 57 G C8 C 136.65604 0.0 1 298 150 58 G H1' H 5.8167 0.0 1 299 150 58 G H8 H 7.2999475 0.0 1 300 150 58 G C8 C 136.3438 0.0 1 301 151 59 G H1' H 5.77131 0.0 1 302 151 59 G H8 H 7.197716 0.0 1 303 151 59 G C8 C 136.65604 0.0 1 304 152 60 C H1' H 5.552165 0.0 1 305 152 60 C H5 H 5.29592 0.0 1 306 152 60 C H6 H 7.58074 0.0 1 307 152 60 C C5 C 97.28049 0.0 1 308 152 60 C C6 C 140.71506 0.0 1 309 153 61 U H5 H 5.76191333333 0.0 1 310 153 61 U H6 H 7.86975666667 0.0 1 311 153 61 U C5 C 101.8819125 0.0 1 312 153 61 U C6 C 140.297993333 0.0 1 313 154 62 C H1' H 5.74982 0.0 1 314 154 62 C H6 H 7.76876 0.0 1 315 155 63 G H1' H 5.76267 0.0 1 316 155 63 G H3' H 4.790385 0.0 1 317 155 63 G H8 H 7.997162 0.0 1 318 155 63 G C1' C 89.16244 0.0 1 319 155 63 G C3' C 77.28049 0.0 1 320 155 63 G C8 C 139.77835 0.0 1 321 156 64 U H1' H 5.686725 0.0 1 322 156 64 U H5 H 5.29344 0.0 1 323 156 64 U H6 H 7.67817 0.0 1 324 156 64 U C1' C 89.37553 0.0 1 325 156 64 U C6 C 139.05475 0.0 1 326 157 65 G H1' H 5.67405 0.0 1 327 157 65 G H8 H 7.98550166667 0.0 1 328 157 65 G C8 C 137.59271 0.0 1 329 158 66 C H1' H 5.68251 0.0 1 330 158 66 C H5 H 5.25082 0.0 1 331 158 66 C H6 H 7.73513 0.0 1 332 158 66 C C5 C 96.65603 0.0 1 333 158 66 C C6 C 141.33952 0.0 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-1H NOESYin H2O' '2D 1H-1H NOESYin D2O' '3D 1H-13C NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (68-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 93 1 G H1' H 5.84074727273 0.0 1 2 93 1 G H2' H 4.92399272727 0.0 1 3 93 1 G H3' H 4.56481 0.0 1 4 93 1 G H4' H 4.565196 0.0 1 5 93 1 G H5' H 4.27971 0.0 2 6 93 1 G H5'' H 4.4264275 0.0 2 7 93 1 G H8 H 8.14055454545 0.0 1 8 93 1 G C1' C 91.03584 0.0 1 9 93 1 G C2' C 74.78263 0.0 1 10 93 1 G C4' C 83.54225 0.0 1 11 93 1 G C5' C 67.28905 0.0 1 12 93 1 G C8 C 139.15388 0.0 1 13 94 2 G H1' H 5.933185 0.0 1 14 94 2 G H8 H 7.57025333333 0.0 1 15 94 2 G C8 C 136.96826 0.0 1 16 95 3 G H1' H 5.80164 0.0 1 17 95 3 G H8 H 7.27277428571 0.0 1 18 95 3 G C8 C 136.03156 0.0 1 19 96 4 C H1' H 5.54578 0.0 1 20 96 4 C H5 H 5.192855 0.0 1 21 96 4 C H6 H 7.42615 0.0 1 22 96 4 C C5 C 97.592715 0.0 1 23 96 4 C C6 C 140.402816667 0.0 1 24 97 5 G H1' H 5.718052 0.0 1 25 97 5 G H8 H 7.5683525 0.0 1 26 97 5 G C1' C 92.90923 0.0 1 27 97 5 G C8 C 137.59271 0.0 1 28 98 6 A H1' H 5.98832 0.0 1 29 98 6 A H2 H 7.985585 0.0 1 30 98 6 A H8 H 7.913465 0.0 1 31 98 6 A C1' C 89.21347 0.0 1 32 98 6 A C2 C 152.11711 0.0 1 33 98 6 A C8 C 137.32875 0.0 1 34 99 7 G H1' H 5.52807333333 0.0 1 35 99 7 G H8 H 7.3065 0.0 1 36 99 7 G C1' C 92.28477 0.0 1 37 100 8 G H8 H 7.77999 0.0 1 38 101 9 G H1' H 5.769915 0.0 1 39 101 9 G H8 H 7.19931 0.0 1 40 101 9 G C1' C 92.90923 0.0 1 41 101 9 G C8 C 136.254585714 0.0 1 42 102 10 U H5 H 5.48562 0.0 1 43 102 10 U H6 H 7.70198 0.0 1 44 102 10 U C5 C 101.56972 0.0 1 45 102 10 U C6 C 137.78871 0.0 1 46 103 11 C H6 H 7.86785666667 0.0 1 47 103 11 C C6 C 142.58846 0.0 1 48 104 12 U H5 H 5.66443 0.0 1 49 104 12 U H6 H 7.91112666667 0.0 1 50 104 12 U C6 C 138.898635 0.0 1 51 105 13 C H1' H 5.54629 0.0 1 52 105 13 C H5 H 5.6632575 0.0 1 53 105 13 C H6 H 7.98627 0.0 1 54 105 13 C C5 C 97.28049 0.0 1 55 105 13 C C6 C 142.58846 0.0 1 56 107 15 U H1' H 5.62615666667 0.0 1 57 107 15 U H5 H 5.762008 0.0 1 58 107 15 U H6 H 7.86787833333 0.0 1 59 107 15 U C1' C 80.62447 0.0 1 60 107 15 U C5 C 102.19418 0.0 1 61 107 15 U C6 C 139.99146 0.0 1 62 108 16 C H1' H 5.43489 0.0 1 63 108 16 C H2' H 3.91959 0.0 1 64 108 16 C H3' H 4.334615 0.0 1 65 108 16 C H4' H 4.14743 0.0 1 66 108 16 C H5 H 5.55108 0.0 1 67 108 16 C H6 H 7.658466 0.0 1 68 108 16 C C1' C 92.597 0.0 1 69 108 16 C C2' C 76.0315942857 0.0 1 70 108 16 C C3' C 73.5337 0.0 1 71 108 16 C C4' C 82.91779 0.0 1 72 108 16 C C5 C 97.28049 0.0 1 73 108 16 C C6 C 142.58846 0.0 1 74 109 17 U H1' H 5.56443368421 0.0 1 75 109 17 U H2' H 4.02364 0.0 1 76 109 17 U H3' H 4.43527769231 0.0 1 77 109 17 U H4' H 3.89735 0.0 1 78 109 17 U H5 H 5.46789 0.0 1 79 109 17 U H6 H 7.46752625 0.0 1 80 109 17 U C1' C 88.2164257143 0.0 1 81 109 17 U C2' C 75.6567822222 0.0 1 82 109 17 U C3' C 74.05903 0.0 1 83 109 17 U C5 C 102.506412 0.0 1 84 109 17 U C6 C 139.98286 0.0 1 85 110 18 G H1' H 5.63013 0.0 1 86 110 18 G H2' H 4.71709352941 0.0 1 87 110 18 G H3' H 4.41951 0.0 1 88 110 18 G H4' H 4.06784222222 0.0 1 89 110 18 G H8 H 7.784255 0.0 1 90 110 18 G C1' C 90.0991285714 0.0 1 91 110 18 G C2' C 75.875445 0.0 1 92 110 18 G C3' C 84.16672 0.0 1 93 110 18 G C4' C 87.60128 0.0 1 94 110 18 G C8 C 139.46613 0.0 1 95 111 19 A H1' H 5.95457666667 0.0 1 96 111 19 A H2 H 7.74352333333 0.0 1 97 111 19 A H8 H 8.24659 0.0 1 98 111 19 A C1' C 88.35735 0.0 1 99 111 19 A C2 C 151.4808 0.0 1 100 111 19 A C8 C 138.70088 0.0 1 101 112 20 G H1' H 5.62678 0.0 1 102 112 20 G H2' H 4.314033 0.0 1 103 112 20 G H3' H 4.50516777778 0.0 1 104 112 20 G H5' H 4.16626444444 0.0 2 105 112 20 G H5'' H 4.38856666667 0.0 2 106 112 20 G H8 H 7.47084 0.0 1 107 112 20 G C1' C 92.597 0.0 1 108 112 20 G C2' C 73.84593 0.0 1 109 112 20 G C3' C 82.9177971429 0.0 1 110 112 20 G C5' C 66.97681 0.0 1 111 112 20 G C8 C 137.28049125 0.0 1 112 113 21 U H1' H 5.53850166667 0.0 1 113 113 21 U H5 H 5.25456777778 0.0 1 114 113 21 U H6 H 7.65017888889 0.0 1 115 113 21 U C1' C 90.9367 0.0 1 116 113 21 U C5 C 100.945258333 0.0 1 117 113 21 U C6 C 138.10094 0.0 1 118 114 22 G H1' H 5.834918 0.0 1 119 114 22 G H8 H 7.70095571429 0.0 1 120 114 22 G C1' C 92.28477 0.0 1 121 114 22 G C8 C 136.3438 0.0 1 122 115 23 A H1' H 5.86608 0.0 1 123 115 23 A H2 H 7.87557 0.0 1 124 115 23 A H8 H 7.57035 0.0 1 125 115 23 A C1' C 90.54239 0.0 1 126 115 23 A C2 C 151.03818 0.0 1 127 115 23 A C8 C 136.39948 0.0 1 128 116 24 U H1' H 5.022426 0.0 1 129 116 24 U H5 H 5.2178175 0.0 1 130 116 24 U H6 H 7.24942625 0.0 1 131 116 24 U C1' C 91.26601 0.0 1 132 116 24 U C5 C 101.257491429 0.0 1 133 116 24 U C6 C 137.476474 0.0 1 134 117 25 U H1' H 5.36995 0.0 1 135 117 25 U H5 H 5.56624875 0.0 1 136 117 25 U H6 H 7.77335888889 0.0 1 137 117 25 U C1' C 91.26601 0.0 1 138 117 25 U C5 C 101.25748 0.0 1 139 117 25 U C6 C 140.168496 0.0 1 140 118 26 G H1' H 5.74293 0.0 1 141 118 26 G H8 H 7.782265 0.0 1 142 118 26 G C1' C 90.7236 0.0 1 143 118 26 G C8 C 136.968268333 0.0 1 144 119 27 A H1' H 6.030555 0.0 1 145 119 27 A H2 H 7.95419 0.0 1 146 119 27 A H8 H 7.85738 0.0 1 147 119 27 A C2 C 152.12597 0.0 1 148 119 27 A C2' C 4.74587 0.0 1 149 119 27 A C8 C 134.027975 0.0 1 150 120 28 C H1' H 5.404055 0.0 1 151 120 28 C H5 H 5.13036 0.0 1 152 120 28 C H6 H 7.32826 0.0 1 153 120 28 C C1' C 94.15816 0.0 1 154 120 28 C C5 C 97.2805 0.0 1 155 120 28 C C6 C 140.71506 0.0 1 156 121 29 U H1' H 5.76404666667 0.0 1 157 121 29 U H5 H 5.564794 0.0 1 158 121 29 U H6 H 7.78405428571 0.0 1 159 121 29 U C1' C 96.10564 0.0 1 160 121 29 U C5 C 101.153403333 0.0 1 161 122 30 A H1' H 6.172795 0.0 1 162 122 30 A H2 H 8.22186 0.0 1 163 122 30 A H2' H 4.88621 0.0 1 164 122 30 A H3' H 4.82767 0.0 1 165 122 30 A H4' H 4.58932 0.0 1 166 122 30 A H5' H 4.3746 0.0 2 167 122 30 A H5'' H 4.27109 0.0 2 168 122 30 A H8 H 8.40145 0.0 1 169 122 30 A C1' C 88.05576 0.0 1 170 122 30 A C2 C 152.86835 0.0 1 171 122 30 A C2' C 73.56992 0.0 1 172 122 30 A C3' C 73.02019 0.0 1 173 122 30 A C4' C 82.04434 0.0 1 174 122 30 A C5' C 64.60847 0.0 1 175 122 30 A C8 C 139.37634 0.0 1 176 123 31 C H1' H 5.3775 0.0 1 177 123 31 C H5 H 5.88157833333 0.0 1 178 123 31 C H6 H 7.96417 0.0 1 179 123 31 C C5 C 98.21719 0.0 1 180 123 31 C C6 C 142.58846 0.0 1 181 124 32 C H5 H 5.5426 0.0 1 182 124 32 C H6 H 7.874836 0.0 1 183 124 32 C C6 C 141.65175 0.0 1 184 125 33 C H1' H 5.50647 0.0 1 185 125 33 C H5 H 5.46444 0.0 1 186 125 33 C H6 H 7.75866 0.0 1 187 126 34 G H1' H 5.70929 0.0 1 188 126 34 G H8 H 7.4871975 0.0 1 189 126 34 G C8 C 136.3438 0.0 1 190 127 35 U H1' H 5.4006 0.0 1 191 127 35 U H5 H 5.411975 0.0 1 192 127 35 U H6 H 7.560596 0.0 1 193 127 35 U C1' C 91.26601 0.0 1 194 127 35 U C5 C 111.248915 0.0 1 195 127 35 U C6 C 138.41318 0.0 1 196 128 36 C H1' H 6.01922 0.0 1 197 128 36 C H5 H 6.01757666667 0.0 1 198 128 36 C H6 H 7.97277142857 0.0 1 199 128 36 C C5 C 99.46612 0.0 1 200 128 36 C C6 C 144.47894 0.0 1 201 129 37 A H1' H 5.88523 0.0 1 202 129 37 A H2 H 7.96448 0.0 1 203 129 37 A H8 H 8.14223 0.0 1 204 129 37 A C1' C 87.52675 0.0 1 205 129 37 A C2 C 152.65019 0.0 1 206 129 37 A C8 C 138.69763 0.0 1 207 130 38 G H1' H 5.93030428571 0.0 1 208 130 38 G H2' H 4.81990285714 0.0 1 209 130 38 G H3' H 5.29119285714 0.0 1 210 130 38 G H8 H 7.86955833333 0.0 1 211 130 38 G C1' C 93.5337 0.0 1 212 130 38 G C2' C 76.65603 0.0 1 213 130 38 G C3' C 76.03156 0.0 1 214 130 38 G C8 C 142.276205 0.0 1 215 131 39 C H5 H 5.99038 0.0 1 216 131 39 C H6 H 8.065525 0.0 1 217 131 39 C C5 C 99.15388 0.0 1 218 132 40 G H1' H 5.67691 0.0 1 219 132 40 G H8 H 7.61217666667 0.0 1 220 132 40 G C8 C 136.3438 0.0 1 221 133 41 G H1' H 5.7328 0.0 1 222 133 41 G H8 H 7.19787333333 0.0 1 223 133 41 G C8 C 135.71933 0.0 1 224 134 42 G H1' H 5.75087 0.0 1 225 134 42 G H8 H 7.02475166667 0.0 1 226 134 42 G C8 C 135.71933 0.0 1 227 135 43 G H1' H 5.70118 0.0 1 228 135 43 G H8 H 7.2913 0.0 1 229 135 43 G C8 C 136.65604 0.0 1 230 136 44 G H1' H 5.6097 0.0 1 231 136 44 G H2' H 4.42297666667 0.0 1 232 136 44 G H8 H 7.291105 0.0 1 233 136 44 G C2' C 84.16672 0.0 1 234 136 44 G C8 C 136.3438 0.0 1 235 137 45 U H5 H 5.058635 0.0 1 236 137 45 U H6 H 7.741245 0.0 1 237 137 45 U C5 C 99.69631 0.0 1 238 137 45 U C6 C 139.34987 0.0 1 239 138 46 C H1' H 5.59426666667 0.0 1 240 138 46 C C1' C 93.84593 0.0 1 241 139 47 U H1' H 5.53228142857 0.0 1 242 139 47 U H6 H 7.779898 0.0 1 243 139 47 U C1' C 91.57826 0.0 1 244 139 47 U C6 C 138.72542 0.0 1 245 140 48 U H1' H 5.35234444444 0.0 1 246 140 48 U H5 H 5.62432571429 0.0 1 247 140 48 U H6 H 7.864648 0.0 1 248 140 48 U C1' C 95.574848 0.0 1 249 140 48 U C5 C 100.633013333 0.0 1 250 140 48 U C6 C 140.5988 0.0 1 251 141 49 U H1' H 5.74614 0.0 1 252 141 49 U H5 H 5.798543 0.0 1 253 141 49 U H6 H 8.029811 0.0 1 254 141 49 U C1' C 90.01711 0.0 1 255 141 49 U C5 C 100.94525 0.0 1 256 141 49 U C6 C 140.5988 0.0 1 257 142 50 C H1' H 5.560582 0.0 1 258 142 50 C H5 H 5.713088 0.0 1 259 142 50 C H6 H 7.74510666667 0.0 1 260 142 50 C C1' C 94.15816 0.0 1 261 142 50 C C5 C 98.21719 0.0 1 262 142 50 C C6 C 141.9639925 0.0 1 263 143 51 A H1' H 5.93903 0.0 1 264 143 51 A H2 H 7.40083 0.0 1 265 143 51 A H8 H 8.02385 0.0 1 266 143 51 A C1' C 90.52962 0.0 1 267 143 51 A C2 C 150.72108 0.0 1 268 143 51 A C8 C 137.00296 0.0 1 269 144 52 U H1' H 5.410585 0.0 1 270 144 52 U H2' H 4.08326 0.0 1 271 144 52 U H5 H 5.40721125 0.0 1 272 144 52 U H6 H 7.55867444444 0.0 1 273 144 52 U C1' C 90.32934 0.0 1 274 144 52 U C5 C 110.312224 0.0 1 275 144 52 U C6 C 138.10094 0.0 1 276 145 53 U H1' H 5.86488888889 0.0 1 277 145 53 U H5 H 5.56659 0.0 1 278 145 53 U H6 H 7.79296666667 0.0 1 279 145 53 U C1' C 89.0633 0.0 1 280 145 53 U C5 C 101.5697 0.0 1 281 145 53 U C6 C 140.59879 0.0 1 282 146 54 U H1' H 5.62684285714 0.0 1 283 146 54 U H5 H 5.76193571429 0.0 1 284 146 54 U H6 H 7.865428 0.0 1 285 146 54 U C1' C 90.62447 0.0 1 286 146 54 U C5 C 101.56972 0.0 1 287 146 54 U C6 C 138.632733333 0.0 1 288 147 55 G H1' H 5.79365 0.0 1 289 147 55 G H8 H 7.80713333333 0.0 1 290 147 55 G C1' C 91.97253 0.0 1 291 147 55 G C8 C 136.96826 0.0 1 292 148 56 G H1' H 5.857215 0.0 1 293 148 56 G H8 H 7.31548555556 0.0 1 294 148 56 G C8 C 136.65604 0.0 1 295 149 57 G H1' H 5.810445 0.0 1 296 149 57 G H8 H 7.16226571429 0.0 1 297 149 57 G C8 C 136.65604 0.0 1 298 150 58 G H1' H 5.8167 0.0 1 299 150 58 G H8 H 7.2999475 0.0 1 300 150 58 G C8 C 136.3438 0.0 1 301 151 59 G H1' H 5.77131 0.0 1 302 151 59 G H8 H 7.197716 0.0 1 303 151 59 G C8 C 136.65604 0.0 1 304 152 60 C H1' H 5.552165 0.0 1 305 152 60 C H5 H 5.29592 0.0 1 306 152 60 C H6 H 7.58074 0.0 1 307 152 60 C C5 C 97.28049 0.0 1 308 152 60 C C6 C 140.71506 0.0 1 309 153 61 U H5 H 5.76191333333 0.0 1 310 153 61 U H6 H 7.86975666667 0.0 1 311 153 61 U C5 C 101.8819125 0.0 1 312 153 61 U C6 C 140.297993333 0.0 1 313 154 62 C H1' H 5.74982 0.0 1 314 154 62 C H6 H 7.76876 0.0 1 315 155 63 G H1' H 5.76267 0.0 1 316 155 63 G H3' H 4.790385 0.0 1 317 155 63 G H8 H 7.997162 0.0 1 318 155 63 G C1' C 89.16244 0.0 1 319 155 63 G C3' C 77.28049 0.0 1 320 155 63 G C8 C 139.77835 0.0 1 321 156 64 U H1' H 5.686725 0.0 1 322 156 64 U H5 H 5.29344 0.0 1 323 156 64 U H6 H 7.67817 0.0 1 324 156 64 U C1' C 89.37553 0.0 1 325 156 64 U C6 C 139.05475 0.0 1 326 157 65 G H1' H 5.67405 0.0 1 327 157 65 G H8 H 7.98550166667 0.0 1 328 157 65 G C8 C 137.59271 0.0 1 329 158 66 C H1' H 5.68251 0.0 1 330 158 66 C H5 H 5.25082 0.0 1 331 158 66 C H6 H 7.73513 0.0 1 332 158 66 C C5 C 96.65603 0.0 1 333 158 66 C C6 C 141.33952 0.0 1 stop_ save_ save_assigned_chem_shift_list_2_dup _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-1H NOESYin H2O' '2D 1H-1H NOESYin D2O' '3D 1H-13C NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (68-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 97 5 G H1 H 9.77116 0.0 1 2 97 5 G N1 N 141.32568 0.0 1 3 99 7 G H1 H 12.03951 0.0 1 4 99 7 G N1 N 148.62137 0.0 1 5 100 8 G H1 H 10.67689 0.0 1 6 100 8 G N1 N 142.24649 0.0 1 7 101 9 G H1 H 13.22475 0.0 1 8 101 9 G N1 N 148.30766 0.0 1 9 102 10 U H3 H 11.90424 0.0 1 10 102 10 U N3 N 157.5089 0.0 1 11 104 12 U H3 H 11.77363 0.0 1 12 104 12 U N3 N 155.09723 0.0 1 13 112 20 G H1 H 11.33233 0.0 1 14 112 20 G N1 N 143.83609 0.0 1 15 113 21 U H3 H 13.42254 0.0 1 16 113 21 U N3 N 164.47319 0.0 1 17 114 22 G H1 H 11.24935 0.0 1 18 114 22 G N1 N 145.52499 0.0 1 19 116 24 U H3 H 11.00006 0.0 1 20 116 24 U N3 N 151.85785 0.0 1 21 117 25 U H3 H 10.86554 0.0 1 22 117 25 U N3 N 154.00287 0.0 1 23 121 29 U H3 H 11.78755 0.0 1 24 121 29 U N3 N 155.0704 0.0 1 25 126 34 G H1 H 12.92771 0.0 1 26 126 34 G N1 N 148.71623 0.0 1 27 130 38 G H1 H 10.6312 0.0 1 28 130 38 G N1 N 142.24649 0.0 1 29 134 42 G H1 H 12.59315 0.0 1 30 134 42 G N1 N 147.83209 0.0 1 31 135 43 G H1 H 10.35437 0.0 1 32 135 43 G N1 N 143.0054 0.0 1 33 137 45 U H3 H 13.81514 0.0 1 34 137 45 U N3 N 163.80875 0.0 1 35 139 47 U H3 H 10.09018 0.0 1 36 139 47 U N3 N 149.43719 0.0 1 37 140 48 U H3 H 10.77992 0.0 1 38 140 48 U N3 N 155.24414 0.0 1 39 141 49 U H3 H 14.50302 0.0 1 40 141 49 U N3 N 167.30324 0.0 1 41 144 52 U H3 H 11.40617 0.0 1 42 144 52 U N3 N 155.09723 0.0 1 43 147 55 G H1 H 11.97824 0.0 1 44 147 55 G N1 N 146.32881 0.0 1 45 149 57 G H1 H 10.53982 0.0 1 46 149 57 G N1 N 142.53995 0.0 1 47 150 58 G H1 H 12.56628 0.0 1 48 150 58 G N1 N 147.83209 0.0 1 49 151 59 G H1 H 11.14184 0.0 1 50 151 59 G N1 N 144.44229 0.0 1 51 153 61 U H3 H 11.69369 0.0 1 52 153 61 U N3 N 155.09723 0.0 1 53 156 64 U H3 H 154.54024 0.0 1 54 156 64 U N3 N 11.26806 0.0 1 stop_ save_