data_6076 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Loop B RNAs from the Stem-Loop IV domain of the Enterovirus Internal Ribosome Entry Site with a Six-nucleotide Bulge AUCCCU ; _BMRB_accession_number 6076 _BMRB_flat_file_name bmr6076.str _Entry_type original _Submission_date 2004-01-13 _Accession_date 2004-01-14 _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 Du Z. . . 2 Ulyanov N. B. . 3 Yu J. . . 4 James T. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 406 "13C chemical shifts" 226 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6077 'Mutant at residue 10, U replace C' stop_ _Original_release_date 2004-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structures of Loop B RNAs from the Stem-Loop IV Domain of the Enterovirus Internal Ribosome Entry Site: A Single C to U Substitution Drastically Changes the Shape and Flexibility of RNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15134450 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Du Z. . . 2 Ulyanov N. B. . 3 Yu J. . . 4 Andino R. . . 5 James T. L. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 43 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5757 _Page_last 5771 _Year 2004 _Details . loop_ _Keyword 'GUGA TETRALOOP' 'SIX-NUCLEOTIDE BULGE' 'STEM-AND-LOOP STRUCTURE' stop_ save_ ################################## # Molecular system description # ################################## save_system_stem-loop_RNA _Saveframe_category molecular_system _Mol_system_name 'stem-loop RNA' _Abbreviation_common 'stem-loop RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'stem-loop RNA, WT34' $stem-loop_RNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_stem-loop_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'RNA FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' _Name_variant 'AUCCCU bulge' _Abbreviation_common 'stem-loop RNA' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 34 _Mol_residue_sequence ; GGAGGACAUCCCUCACGGGU GACCGUGGUCCUCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 G 6 A 7 C 8 A 9 U 10 C 11 C 12 C 13 U 14 C 15 A 16 C 17 G 18 G 19 G 20 U 21 G 22 A 23 C 24 C 25 G 26 U 27 G 28 G 29 U 30 C 31 C 32 U 33 C 34 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 $stem-loop_RNA 'Enterovirus poliovirus' 138953 Viruses . Enterovirus poliovirus 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 $stem-loop_RNA 'enzymatic semisynthesis' . . . . . 'RNA was in vitro transcribed with T7 RNA-polymerase.' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $stem-loop_RNA . mM 1.0 2.0 . NaCl 25 mM . . . 'sodium phosphate buffer' 25 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $stem-loop_RNA . mM 1.0 2.0 . NaCl 25 mM . . . 'sodium phosphate buffer' 25 mM . . . D2O 100 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $stem-loop_RNA . mM 1.0 2.0 '[U-13C; U-15N]' NaCl 25 mM . . . 'sodium phosphate buffer' 25 mM . . . D2O 100 % . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $stem-loop_RNA . mM 1.0 2.0 '[U-13C; U-15N]-A, U' NaCl 25 mM . . . 'sodium phosphate buffer' 25 mM . . . D2O 100 % . . . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $stem-loop_RNA . mM 1.0 2.0 '[U-13C; U-15N]-C' NaCl 25 mM . . . 'sodium phosphate buffer' 25 mM . . . D2O 100 % . . . stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $stem-loop_RNA . mM 1.0 2.0 '[U-13C; U-15N]' NaCl 25 mM . . . 'sodium phosphate buffer' 25 mM . . . D2O 100 % . . . 'C12E6/N-HEXANOL MIXTURE (MOLAR RATIO 0.64)' 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task collection stop_ _Details 'Varian Associates, Inc.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details F.Delaglio save_ save_MARDIGRAS _Saveframe_category software _Name MARDIGRAS _Version 3.2 loop_ _Task 'iterative matrix relaxation' stop_ _Details T.L.James save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task refinement stop_ _Details P.Guntert save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7 loop_ _Task refinement stop_ _Details D.A.Case save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_1H-13C_CONSTANT_TIME_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CONSTANT TIME HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CONSTANT TIME HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . n/a pressure 1 . atm temperature 298 . K stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH* 6.5 . n/a pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'stem-loop RNA, WT34' _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 G C1' C 92.246 0.146 1 2 . 1 G C2' C 75.552 0.120 1 3 . 1 G C3' C 74.964 0.120 1 4 . 1 G C4' C 83.718 0.120 1 5 . 1 G C5' C 67.345 0.120 1 6 . 1 G C8 C 139.207 0.120 1 7 . 1 G H1' H 5.853 0.006 1 8 . 1 G H2' H 4.956 0.008 1 9 . 1 G H3' H 4.720 0.006 1 10 . 1 G H4' H 4.575 0.009 1 11 . 1 G H5'' H 4.280 0.013 1 12 . 1 G H5' H 4.417 0.005 1 13 . 1 G H8 H 8.161 0.006 1 14 . 1 G N9 N 169.117 0.150 1 15 . 2 G C1' C 93.267 0.120 1 16 . 2 G C2' C 75.823 0.120 1 17 . 2 G C3' C 73.311 0.120 1 18 . 2 G C4' C 82.799 0.120 1 19 . 2 G C5' C 66.200 0.200 1 20 . 2 G C8 C 136.992 0.120 1 21 . 2 G H1' H 5.923 0.006 1 22 . 2 G H2' H 4.670 0.009 1 23 . 2 G H3' H 4.620 0.011 1 24 . 2 G H4' H 4.576 0.010 1 25 . 2 G H5'' H 4.519 0.005 1 26 . 2 G H5' H 4.245 0.012 1 27 . 2 G H8 H 7.530 0.018 1 28 . 2 G N9 N 169.586 0.150 1 29 . 3 A C1' C 93.240 0.120 1 30 . 3 A C2 C 153.454 0.120 1 31 . 3 A C2' C 76.173 0.120 1 32 . 3 A C3' C 73.320 0.120 1 33 . 3 A C4' C 82.000 0.200 1 34 . 3 A C5' C 65.000 0.200 1 35 . 3 A C8 C 139.330 0.120 1 36 . 3 A H1' H 6.006 0.005 1 37 . 3 A H2 H 7.475 0.004 1 38 . 3 A H2' H 4.690 0.006 1 39 . 3 A H3' H 4.640 0.005 1 40 . 3 A H4' H 4.526 0.005 1 41 . 3 A H5'' H 4.630 0.020 1 42 . 3 A H5' H 4.180 0.020 1 43 . 3 A H8 H 7.763 0.005 1 44 . 3 A N9 N 170.779 0.150 1 45 . 4 G C1' C 92.826 0.120 1 46 . 4 G C2' C 75.989 0.120 1 47 . 4 G C3' C 73.520 0.120 1 48 . 4 G C4' C 82.364 0.120 1 49 . 4 G C5' C 65.986 0.120 1 50 . 4 G C8 C 135.826 0.120 1 51 . 4 G H1' H 5.631 0.006 1 52 . 4 G H2' H 4.550 0.006 1 53 . 4 G H3' H 4.403 0.014 1 54 . 4 G H4' H 4.461 0.007 1 55 . 4 G H5'' H 4.439 0.006 1 56 . 4 G H5' H 4.056 0.005 1 57 . 4 G H8 H 7.069 0.005 1 58 . 4 G N9 N 169.300 0.150 1 59 . 5 G C1' C 93.210 0.120 1 60 . 5 G C2' C 75.852 0.120 1 61 . 5 G C3' C 73.365 0.120 1 62 . 5 G C4' C 82.299 0.120 1 63 . 5 G C5' C 65.800 0.200 1 64 . 5 G C8 C 136.336 0.097 1 65 . 5 G H1' H 5.712 0.008 1 66 . 5 G H2' H 4.546 0.006 1 67 . 5 G H3' H 4.485 0.006 1 68 . 5 G H4' H 4.483 0.011 1 69 . 5 G H5'' H 4.462 0.016 1 70 . 5 G H5' H 4.064 0.011 1 71 . 5 G H8 H 7.158 0.004 1 72 . 5 G N9 N 169.076 0.150 1 73 . 6 A C1' C 93.096 0.120 1 74 . 6 A C2 C 154.240 0.120 1 75 . 6 A C2' C 76.029 0.120 1 76 . 6 A C4' C 82.000 0.200 1 77 . 6 A C5' C 64.800 0.200 1 78 . 6 A C8 C 139.398 0.120 1 79 . 6 A H1' H 5.992 0.005 1 80 . 6 A H2 H 7.817 0.005 1 81 . 6 A H2' H 4.586 0.005 1 82 . 6 A H3' H 4.576 0.010 1 83 . 6 A H4' H 4.486 0.005 1 84 . 6 A H5'' H 4.600 0.020 1 85 . 6 A H5' H 4.170 0.020 1 86 . 6 A H8 H 7.813 0.006 1 87 . 6 A N9 N 170.980 0.150 1 88 . 7 C C1' C 93.919 0.042 1 89 . 7 C C2' C 75.933 0.120 1 90 . 7 C C3' C 73.002 0.088 1 91 . 7 C C4' C 82.258 0.120 1 92 . 7 C C5' C 65.400 0.200 1 93 . 7 C C5 C 97.854 0.120 1 94 . 7 C C6 C 140.083 0.109 1 95 . 7 C H1' H 5.328 0.005 1 96 . 7 C H2' H 4.454 0.010 1 97 . 7 C H3' H 4.280 0.007 1 98 . 7 C H4' H 4.392 0.005 1 99 . 7 C H5 H 5.187 0.005 1 100 . 7 C H5'' H 4.432 0.005 1 101 . 7 C H5' H 4.035 0.013 1 102 . 7 C H6 H 7.252 0.005 1 103 . 7 C N1 N 150.382 0.150 1 104 . 8 A C1' C 93.443 0.032 1 105 . 8 A C2 C 154.285 0.120 1 106 . 8 A C2' C 75.986 0.120 1 107 . 8 A C3' C 73.529 0.034 1 108 . 8 A C4' C 82.974 0.069 1 109 . 8 A C5' C 66.367 0.120 1 110 . 8 A C8 C 139.730 0.061 1 111 . 8 A H1' H 5.898 0.004 1 112 . 8 A H2 H 7.237 0.004 1 113 . 8 A H2' H 4.329 0.007 1 114 . 8 A H3' H 4.396 0.009 1 115 . 8 A H4' H 4.403 0.007 1 116 . 8 A H5'' H 4.424 0.005 1 117 . 8 A H5' H 4.041 0.007 1 118 . 8 A H8 H 7.867 0.006 1 119 . 8 A N9 N 170.545 0.150 1 120 . 9 U C1' C 91.697 0.120 1 121 . 9 U C2' C 76.191 0.044 1 122 . 9 U C3' C 75.269 0.120 1 123 . 9 U C4' C 84.244 0.065 1 124 . 9 U C5 C 104.320 0.120 1 125 . 9 U C5' C 66.230 0.120 1 126 . 9 U C6 C 141.552 0.143 1 127 . 9 U H1' H 5.409 0.005 1 128 . 9 U H2' H 4.031 0.007 1 129 . 9 U H3' H 4.344 0.006 1 130 . 9 U H4' H 4.238 0.007 1 131 . 9 U H5 H 5.234 0.004 1 132 . 9 U H5'' H 4.250 0.009 1 133 . 9 U H5' H 3.945 0.005 1 134 . 9 U H6 H 7.356 0.005 1 135 . 9 U N1 N 144.404 0.150 1 136 . 10 C C1' C 93.052 0.120 1 137 . 10 C C2' C 76.143 0.120 1 138 . 10 C C3' C 74.933 0.120 1 139 . 10 C C4' C 83.878 0.086 1 140 . 10 C C5 C 98.924 0.137 1 141 . 10 C C5' C 66.918 0.054 1 142 . 10 C C6 C 143.088 0.120 1 143 . 10 C H1' H 5.699 0.005 1 144 . 10 C H2' H 4.334 0.009 1 145 . 10 C H3' H 4.353 0.009 1 146 . 10 C H4' H 4.291 0.006 1 147 . 10 C H5 H 5.777 0.009 1 148 . 10 C H5'' H 4.182 0.023 1 149 . 10 C H5' H 3.974 0.007 1 150 . 10 C H6 H 7.726 0.007 1 151 . 10 C N1 N 152.151 0.150 1 152 . 11 C C1' C 93.254 0.120 1 153 . 11 C C2' C 76.277 0.120 1 154 . 11 C C3' C 74.387 0.120 1 155 . 11 C C4' C 83.441 0.120 1 156 . 11 C C5 C 98.883 0.120 1 157 . 11 C C5' C 66.349 0.035 1 158 . 11 C C6 C 142.609 0.120 1 159 . 11 C H1' H 5.690 0.006 1 160 . 11 C H2' H 4.365 0.008 1 161 . 11 C H3' H 4.408 0.007 1 162 . 11 C H4' H 4.325 0.016 1 163 . 11 C H5 H 5.807 0.004 1 164 . 11 C H5'' H 4.258 0.005 1 165 . 11 C H5' H 4.059 0.006 1 166 . 11 C H6 H 7.761 0.008 1 167 . 11 C N1 N 152.473 0.150 1 168 . 12 C C1' C 92.659 0.120 1 169 . 12 C C2' C 76.597 0.120 1 170 . 12 C C3' C 75.200 0.120 1 171 . 12 C C4' C 83.886 0.120 1 172 . 12 C C5' C 64.700 0.200 1 173 . 12 C C5 C 98.639 0.120 1 174 . 12 C C6 C 142.466 0.120 1 175 . 12 C H1' H 5.674 0.005 1 176 . 12 C H2' H 4.308 0.008 1 177 . 12 C H3' H 4.450 0.006 1 178 . 12 C H4' H 4.292 0.008 1 179 . 12 C H5 H 5.791 0.007 1 180 . 12 C H5'' H 4.247 0.030 1 181 . 12 C H5' H 4.077 0.005 1 182 . 12 C H6 H 7.732 0.005 1 183 . 12 C N1 N 152.253 0.150 1 184 . 13 U C1' C 92.545 0.120 1 185 . 13 U C2' C 75.865 0.120 1 186 . 13 U C3' C 75.272 0.120 1 187 . 13 U C4' C 84.101 0.061 1 188 . 13 U C5 C 105.243 0.120 1 189 . 13 U C5' C 66.844 0.078 1 190 . 13 U C6 C 142.646 0.120 1 191 . 13 U H1' H 5.780 0.008 1 192 . 13 U H2' H 4.463 0.006 1 193 . 13 U H3' H 4.439 0.009 1 194 . 13 U H4' H 4.509 0.004 1 195 . 13 U H5 H 5.789 0.006 1 196 . 13 U H5'' H 4.347 0.009 1 197 . 13 U H5' H 4.123 0.008 1 198 . 13 U H6 H 7.850 0.005 1 199 . 13 U N1 N 144.994 0.150 1 200 . 14 C C1' C 94.198 0.120 1 201 . 14 C C2' C 75.602 0.120 1 202 . 14 C C3' C 73.217 0.120 1 203 . 14 C C4' C 82.100 0.200 1 204 . 14 C C5' C 65.400 0.200 1 205 . 14 C C5 C 99.279 0.120 1 206 . 14 C C6 C 141.993 0.120 1 207 . 14 C H1' H 5.569 0.005 1 208 . 14 C H2' H 4.533 0.005 1 209 . 14 C H3' H 4.711 0.007 1 210 . 14 C H4' H 4.475 0.005 1 211 . 14 C H5'' H 4.540 0.020 1 212 . 14 C H5' H 4.150 0.020 1 213 . 14 C H5 H 6.038 0.004 1 214 . 14 C H6 H 8.120 0.006 1 215 . 14 C N1 N 151.736 0.150 1 216 . 15 A C1' C 93.151 0.120 1 217 . 15 A C2 C 153.753 0.120 1 218 . 15 A C2' C 76.078 0.120 1 219 . 15 A C3' C 72.917 0.120 1 220 . 15 A C4' C 82.331 0.120 1 221 . 15 A C5' C 65.000 0.200 1 222 . 15 A C8 C 139.965 0.120 1 223 . 15 A H1' H 6.056 0.004 1 224 . 15 A H2 H 7.627 0.004 1 225 . 15 A H2' H 4.560 0.007 1 226 . 15 A H3' H 4.843 0.007 1 227 . 15 A H4' H 4.554 0.009 1 228 . 15 A H5'' H 4.640 0.005 1 229 . 15 A H5' H 4.241 0.005 1 230 . 15 A H8 H 8.317 0.005 1 231 . 15 A N9 N 171.404 0.150 1 232 . 16 C C1' C 93.477 0.120 1 233 . 16 C C2' C 76.011 0.120 1 234 . 16 C C3' C 72.400 0.200 1 235 . 16 C C4' C 82.100 0.200 1 236 . 16 C C5' C 64.800 0.200 1 237 . 16 C C5 C 97.878 0.120 1 238 . 16 C C6 C 140.425 0.120 1 239 . 16 C H1' H 5.526 0.006 1 240 . 16 C H2' H 4.385 0.005 1 241 . 16 C H3' H 4.420 0.005 1 242 . 16 C H4' H 4.450 0.005 1 243 . 16 C H5'' H 4.470 0.020 1 244 . 16 C H5' H 4.060 0.010 1 245 . 16 C H5 H 5.317 0.005 1 246 . 16 C H6 H 7.637 0.007 1 247 . 16 C N1 N 150.654 0.150 1 248 . 17 G C1' C 92.945 0.120 1 249 . 17 G C2' C 75.973 0.120 1 250 . 17 G C3' C 72.794 0.120 1 251 . 17 G C4' C 82.000 0.200 1 252 . 17 G C5' C 65.400 0.200 1 253 . 17 G C8 C 136.012 0.120 1 254 . 17 G H1' H 5.761 0.005 1 255 . 17 G H2' H 4.498 0.007 1 256 . 17 G H3' H 4.635 0.006 1 257 . 17 G H4' H 4.389 0.005 1 258 . 17 G H5'' H 4.532 0.005 1 259 . 17 G H5' H 4.134 0.005 1 260 . 17 G H8 H 7.534 0.005 1 261 . 17 G N9 N 169.347 0.150 1 262 . 18 G C1' C 93.015 0.120 1 263 . 18 G C2' C 76.068 0.120 1 264 . 18 G C3' C 72.300 0.200 1 265 . 18 G C4' C 83.700 0.200 1 266 . 18 G C5' C 66.200 0.200 1 267 . 18 G C8 C 135.800 0.120 1 268 . 18 G H1' H 5.782 0.006 1 269 . 18 G H2' H 4.575 0.004 1 270 . 18 G H3' H 4.578 0.005 1 271 . 18 G H4' H 4.455 0.005 1 272 . 18 G H5'' H 4.379 0.020 1 273 . 18 G H5' H 4.118 0.005 1 274 . 18 G H8 H 7.177 0.006 1 275 . 18 G N9 N 169.488 0.150 1 276 . 19 G C1' C 94.052 0.120 1 277 . 19 G C2' C 76.059 0.120 1 278 . 19 G C3' C 72.405 0.137 1 279 . 19 G C4' C 82.509 0.120 1 280 . 19 G C5' C 64.986 0.125 1 281 . 19 G C8 C 135.849 0.120 1 282 . 19 G H1' H 5.777 0.010 1 283 . 19 G H2' H 4.385 0.008 1 284 . 19 G H3' H 4.498 0.005 1 285 . 19 G H4' H 4.338 0.007 1 286 . 19 G H5'' H 4.416 0.005 1 287 . 19 G H5' H 4.072 0.013 1 288 . 19 G H8 H 7.110 0.008 1 289 . 19 G N9 N 170.537 0.150 1 290 . 20 U C1' C 92.773 0.120 1 291 . 20 U C2' C 76.094 0.120 1 292 . 20 U C3' C 73.617 0.169 1 293 . 20 U C4' C 83.683 0.079 1 294 . 20 U C5 C 104.216 0.120 1 295 . 20 U C5' C 65.146 0.100 1 296 . 20 U C6 C 143.045 0.120 1 297 . 20 U H1' H 5.431 0.008 1 298 . 20 U H2' H 4.365 0.010 1 299 . 20 U H3' H 4.153 0.011 1 300 . 20 U H4' H 4.079 0.006 1 301 . 20 U H5 H 5.441 0.005 1 302 . 20 U H5'' H 4.171 0.008 1 303 . 20 U H5' H 3.840 0.007 1 304 . 20 U H6 H 7.756 0.006 1 305 . 20 U N1 N 145.714 0.150 1 306 . 21 G C1' C 92.511 0.120 1 307 . 21 G C2' C 76.169 0.120 1 308 . 21 G C3' C 74.564 0.099 1 309 . 21 G C4' C 83.446 0.120 1 310 . 21 G C5' C 66.102 0.120 1 311 . 21 G C8 C 137.570 0.120 1 312 . 21 G H1' H 5.497 0.005 1 313 . 21 G H2' H 4.320 0.007 1 314 . 21 G H3' H 4.667 0.005 1 315 . 21 G H4' H 4.301 0.008 1 316 . 21 G H5'' H 3.948 0.009 1 317 . 21 G H5' H 4.085 0.005 1 318 . 21 G H8 H 7.783 0.009 1 319 . 21 G N9 N 169.973 0.150 1 320 . 22 A C1' C 91.889 0.047 1 321 . 22 A C2 C 155.896 0.120 1 322 . 22 A C2' C 77.171 0.056 1 323 . 22 A C3' C 73.788 0.103 1 324 . 22 A C4' C 83.012 0.075 1 325 . 22 A C5' C 66.140 0.120 1 326 . 22 A C8 C 140.641 0.089 1 327 . 22 A H1' H 6.151 0.004 1 328 . 22 A H2 H 8.269 0.003 1 329 . 22 A H2' H 4.525 0.007 1 330 . 22 A H3' H 4.974 0.009 1 331 . 22 A H4' H 4.475 0.007 1 332 . 22 A H5'' H 4.544 0.007 1 333 . 22 A H5' H 4.279 0.005 1 334 . 22 A H8 H 8.281 0.007 1 335 . 22 A N9 N 172.558 0.150 1 336 . 23 C C1' C 95.481 0.035 1 337 . 23 C C2' C 75.017 0.120 1 338 . 23 C C3' C 74.828 0.120 1 339 . 23 C C4' C 83.064 0.028 1 340 . 23 C C5 C 99.639 0.120 1 341 . 23 C C5' C 69.595 0.038 1 342 . 23 C C6 C 142.130 0.120 1 343 . 23 C H1' H 3.946 0.020 1 344 . 23 C H2' H 4.362 0.006 1 345 . 23 C H3' H 4.073 0.005 1 346 . 23 C H4' H 4.209 0.008 1 347 . 23 C H5 H 6.103 0.005 1 348 . 23 C H5'' H 4.294 0.008 1 349 . 23 C H5' H 4.202 0.006 1 350 . 23 C H6 H 7.929 0.008 1 351 . 23 C N1 N 150.510 0.150 1 352 . 24 C C1' C 94.086 0.120 1 353 . 24 C C2' C 75.672 0.120 1 354 . 24 C C3' C 72.900 0.200 1 355 . 24 C C4' C 82.000 0.200 1 356 . 24 C C5' C 64.800 0.200 1 357 . 24 C C5 C 98.681 0.120 1 358 . 24 C C6 C 141.074 0.120 1 359 . 24 C H1' H 5.535 0.006 1 360 . 24 C H2' H 4.603 0.007 1 361 . 24 C H3' H 4.501 0.005 1 362 . 24 C H4' H 4.410 0.005 1 363 . 24 C H5 H 5.653 0.006 1 364 . 24 C H5'' H 4.546 0.005 1 365 . 24 C H5' H 4.124 0.005 1 366 . 24 C H6 H 7.787 0.006 1 367 . 24 C N1 N 150.563 0.150 1 368 . 25 G C1' C 93.384 0.157 1 369 . 25 G C2' C 75.632 0.120 1 370 . 25 G C3' C 73.079 0.120 1 371 . 25 G C4' C 82.100 0.200 1 372 . 25 G C5' C 65.000 0.200 1 373 . 25 G C8 C 136.427 0.120 1 374 . 25 G H1' H 5.729 0.007 1 375 . 25 G H2' H 4.517 0.006 1 376 . 25 G H3' H 4.579 0.005 1 377 . 25 G H4' H 4.479 0.009 1 378 . 25 G H5'' H 4.582 0.005 1 379 . 25 G H5' H 4.127 0.005 1 380 . 25 G H8 H 7.631 0.005 1 381 . 25 G N9 N 169.294 0.150 1 382 . 26 U C1' C 93.912 0.120 1 383 . 26 U C2' C 75.768 0.120 1 384 . 26 U C3' C 72.629 0.120 1 385 . 26 U C4' C 82.200 0.200 1 386 . 26 U C5 C 103.387 0.138 1 387 . 26 U C5' C 65.002 0.127 1 388 . 26 U C6 C 140.915 0.120 1 389 . 26 U H1' H 5.548 0.007 1 390 . 26 U H2' H 4.363 0.008 1 391 . 26 U H3' H 4.572 0.008 1 392 . 26 U H4' H 4.442 0.009 1 393 . 26 U H5 H 5.177 0.005 1 394 . 26 U H5'' H 4.575 0.006 1 395 . 26 U H5' H 4.099 0.005 1 396 . 26 U H6 H 7.749 0.004 1 397 . 26 U N1 N 145.621 0.150 1 398 . 27 G C1' C 90.401 0.070 1 399 . 27 G C2' C 77.747 0.120 1 400 . 27 G C3' C 76.245 0.120 1 401 . 27 G C4' C 84.915 0.022 1 402 . 27 G C5' C 66.482 0.120 1 403 . 27 G C8 C 137.635 0.120 1 404 . 27 G H1' H 6.028 0.005 1 405 . 27 G H2' H 4.341 0.007 1 406 . 27 G H3' H 4.826 0.007 1 407 . 27 G H4' H 4.559 0.007 1 408 . 27 G H5'' H 4.520 0.006 1 409 . 27 G H5' H 4.185 0.005 1 410 . 27 G H8 H 7.784 0.006 1 411 . 27 G N9 N 168.478 0.150 1 412 . 28 G C1' C 92.911 0.120 1 413 . 28 G C2' C 75.315 0.120 1 414 . 28 G C3' C 74.650 0.122 1 415 . 28 G C4' C 83.637 0.120 1 416 . 28 G C5' C 67.481 0.095 1 417 . 28 G C8 C 138.748 0.120 1 418 . 28 G H1' H 5.828 0.004 1 419 . 28 G H2' H 4.735 0.011 1 420 . 28 G H3' H 4.592 0.015 1 421 . 28 G H4' H 4.533 0.007 1 422 . 28 G H5'' H 4.440 0.010 1 423 . 28 G H5' H 4.213 0.006 1 424 . 28 G H8 H 8.083 0.007 1 425 . 28 G N9 N 168.901 0.150 1 426 . 29 U C1' C 94.061 0.120 1 427 . 29 U C2' C 75.666 0.120 1 428 . 29 U C3' C 72.925 0.120 1 429 . 29 U C4' C 82.733 0.120 1 430 . 29 U C5' C 65.100 0.200 1 431 . 29 U C5 C 102.688 0.120 1 432 . 29 U C6 C 142.681 0.120 1 433 . 29 U H1' H 5.650 0.005 1 434 . 29 U H2' H 4.607 0.008 1 435 . 29 U H3' H 4.513 0.005 1 436 . 29 U H4' H 4.508 0.005 1 437 . 29 U H5 H 5.169 0.008 1 438 . 29 U H5'' H 4.563 0.013 1 439 . 29 U H5' H 4.200 0.012 1 440 . 29 U H6 H 7.894 0.011 1 441 . 29 U N1 N 147.319 0.150 1 442 . 30 C C1' C 94.411 0.010 1 443 . 30 C C2' C 75.952 0.120 1 444 . 30 C C3' C 72.400 0.200 1 445 . 30 C C4' C 82.400 0.200 1 446 . 30 C C5 C 98.005 0.120 1 447 . 30 C C5' C 65.528 0.120 1 448 . 30 C C6 C 141.851 0.120 1 449 . 30 C H1' H 5.610 0.006 1 450 . 30 C H2' H 4.417 0.008 1 451 . 30 C H3' H 4.457 0.013 1 452 . 30 C H4' H 4.477 0.008 1 453 . 30 C H5 H 5.700 0.003 1 454 . 30 C H5'' H 4.537 0.005 1 455 . 30 C H5' H 4.205 0.005 1 456 . 30 C H6 H 7.898 0.009 1 457 . 30 C N1 N 151.641 0.150 1 458 . 31 C C1' C 94.509 0.120 1 459 . 31 C C2' C 75.797 0.157 1 460 . 31 C C3' C 72.998 0.120 1 461 . 31 C C4' C 81.800 0.200 1 462 . 31 C C5' C 64.700 0.200 1 463 . 31 C C5 C 97.941 0.120 1 464 . 31 C C6 C 141.697 0.120 1 465 . 31 C H1' H 5.451 0.007 1 466 . 31 C H2' H 4.368 0.005 1 467 . 31 C H3' H 4.479 0.013 1 468 . 31 C H4' H 4.418 0.015 1 469 . 31 C H5 H 5.555 0.005 1 470 . 31 C H5'' H 4.540 0.020 1 471 . 31 C H5' H 4.048 0.005 1 472 . 31 C H6 H 7.826 0.007 1 473 . 31 C N1 N 151.026 0.150 1 474 . 32 U C1' C 94.239 0.120 1 475 . 32 U C2' C 75.468 0.120 1 476 . 32 U C3' C 72.421 0.120 1 477 . 32 U C4' C 82.306 0.120 1 478 . 32 U C5' C 64.300 0.200 1 479 . 32 U C5 C 103.472 0.120 1 480 . 32 U C6 C 142.528 0.125 1 481 . 32 U H1' H 5.533 0.004 1 482 . 32 U H2' H 4.502 0.009 1 483 . 32 U H3' H 4.561 0.004 1 484 . 32 U H4' H 4.445 0.016 1 485 . 32 U H5 H 5.411 0.006 1 486 . 32 U H5'' H 4.580 0.020 1 487 . 32 U H5' H 4.088 0.005 1 488 . 32 U H6 H 7.973 0.008 1 489 . 32 U N1 N 146.808 0.150 1 490 . 33 C C1' C 94.544 0.120 1 491 . 33 C C2' C 76.039 0.055 1 492 . 33 C C3' C 72.492 0.120 1 493 . 33 C C4' C 82.103 0.120 1 494 . 33 C C5 C 97.517 0.120 1 495 . 33 C C5' C 64.661 0.120 1 496 . 33 C C6 C 142.031 0.227 1 497 . 33 C H1' H 5.584 0.005 1 498 . 33 C H2' H 4.209 0.009 1 499 . 33 C H3' H 4.503 0.008 1 500 . 33 C H4' H 4.423 0.011 1 501 . 33 C H5 H 5.660 0.005 1 502 . 33 C H5'' H 4.578 0.005 1 503 . 33 C H5' H 4.077 0.011 1 504 . 33 C H6 H 7.942 0.007 1 505 . 33 C N1 N 152.084 0.150 1 506 . 34 C C1' C 93.190 0.120 1 507 . 34 C C2' C 77.897 0.120 1 508 . 34 C C3' C 70.121 0.018 1 509 . 34 C C4' C 83.861 0.046 1 510 . 34 C C5 C 98.311 0.120 1 511 . 34 C C5' C 65.585 0.120 1 512 . 34 C C6 C 141.979 0.120 1 513 . 34 C H1' H 5.723 0.004 1 514 . 34 C H2' H 3.996 0.031 1 515 . 34 C H3' H 4.173 0.005 1 516 . 34 C H4' H 4.167 0.007 1 517 . 34 C H5 H 5.479 0.010 1 518 . 34 C H5'' H 4.489 0.006 1 519 . 34 C H5' H 4.026 0.010 1 520 . 34 C H6 H 7.669 0.006 1 521 . 34 C N1 N 152.471 0.150 1 stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_2 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'stem-loop RNA, WT34' _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 . 2 G H1 H 12.445 0.001 1 2 . 2 G H1' H 5.967 0.010 1 3 . 2 G H8 H 7.552 0.010 1 4 . 3 A H1' H 6.019 0.010 1 5 . 3 A H2 H 7.490 0.010 1 6 . 3 A H61 H 8.337 0.010 1 7 . 3 A H62 H 6.088 0.010 1 8 . 3 A H8 H 7.788 0.010 1 9 . 4 G H1 H 12.799 0.003 1 10 . 4 G H1' H 5.643 0.010 1 11 . 4 G H8 H 7.097 0.010 1 12 . 5 G H1 H 12.527 0.001 1 13 . 5 G H1' H 5.730 0.010 1 14 . 5 G H8 H 7.189 0.010 1 15 . 6 A H1' H 6.017 0.010 1 16 . 6 A H2 H 7.841 0.010 1 17 . 6 A H2' H 4.620 0.010 1 18 . 6 A H8 H 7.860 0.010 1 19 . 7 C H1' H 5.341 0.010 1 20 . 7 C H3' H 4.299 0.010 1 21 . 7 C H41 H 8.062 0.009 1 22 . 7 C H42 H 7.023 0.003 1 23 . 7 C H5 H 5.221 0.010 1 24 . 7 C H6 H 7.281 0.004 1 25 . 8 A H1' H 5.914 0.010 1 26 . 8 A H2 H 7.208 0.010 1 27 . 8 A H2' H 4.370 0.010 1 28 . 8 A H3' H 4.373 0.010 1 29 . 8 A H8 H 7.872 0.010 1 30 . 9 U H1' H 5.410 0.010 1 31 . 9 U H2' H 4.048 0.010 1 32 . 9 U H5 H 5.235 0.010 1 33 . 9 U H5' H 3.952 0.010 1 34 . 9 U H6 H 7.350 0.010 1 35 . 10 C H6 H 7.772 0.010 1 36 . 13 U H1' H 5.772 0.010 1 37 . 13 U H2' H 4.502 0.010 1 38 . 13 U H3' H 4.446 0.010 1 39 . 13 U H5 H 5.794 0.010 1 40 . 13 U H6 H 7.859 0.010 1 41 . 14 C H1' H 5.586 0.010 1 42 . 14 C H2' H 4.541 0.010 1 43 . 14 C H41 H 8.569 0.010 1 44 . 14 C H42 H 7.378 0.010 1 45 . 14 C H5 H 6.051 0.010 1 46 . 14 C H6 H 8.150 0.010 1 47 . 15 A H1' H 6.074 0.010 1 48 . 15 A H2 H 7.643 0.010 1 49 . 15 A H2' H 4.579 0.010 1 50 . 15 A H3' H 4.889 0.010 1 51 . 15 A H8 H 8.346 0.010 1 52 . 16 C H1' H 5.559 0.010 1 53 . 16 C H2' H 4.405 0.010 1 54 . 16 C H41 H 8.323 0.010 1 55 . 16 C H42 H 6.939 0.010 1 56 . 16 C H5 H 5.340 0.010 1 57 . 16 C H6 H 7.674 0.010 1 58 . 17 G H1 H 12.431 0.003 1 59 . 17 G H1' H 5.781 0.010 1 60 . 17 G H2' H 4.529 0.010 1 61 . 17 G H8 H 7.550 0.010 1 62 . 18 G H1 H 13.121 0.002 1 63 . 18 G H1' H 5.772 0.010 1 64 . 18 G H2' H 4.600 0.010 1 65 . 18 G H3' H 4.494 0.010 1 66 . 18 G H8 H 7.179 0.010 1 67 . 19 G H1 H 10.834 0.001 1 68 . 19 G H1' H 5.819 0.010 1 69 . 19 G H5' H 4.050 0.010 1 70 . 20 U H3' H 4.156 0.010 1 71 . 20 U H4' H 4.102 0.010 1 72 . 20 U H5'' H 4.178 0.010 1 73 . 20 U H5' H 3.841 0.010 1 74 . 21 G H1 H 10.544 0.010 1 75 . 21 G H1' H 5.507 0.010 1 76 . 21 G H2' H 4.306 0.010 1 77 . 21 G H21 H 6.186 0.010 1 78 . 21 G H3' H 4.692 0.010 1 79 . 21 G H4' H 4.314 0.010 1 80 . 21 G H5'' H 3.976 0.010 1 81 . 21 G H5' H 4.173 0.010 1 82 . 21 G H8 H 7.803 0.010 1 83 . 22 A H1' H 6.169 0.010 1 84 . 22 A H2 H 8.291 0.010 1 85 . 22 A H3' H 4.979 0.010 1 86 . 22 A H4' H 4.495 0.010 1 87 . 22 A H8 H 8.297 0.010 1 88 . 23 C H1' H 3.841 0.010 1 89 . 23 C H2' H 4.372 0.010 1 90 . 23 C H4' H 4.198 0.010 1 91 . 23 C H41 H 8.781 0.004 1 92 . 23 C H42 H 7.103 0.010 1 93 . 23 C H5 H 6.118 0.010 1 94 . 23 C H6 H 7.962 0.004 1 95 . 24 C H1' H 5.547 0.010 1 96 . 24 C H2' H 4.611 0.010 1 97 . 24 C H41 H 8.509 0.010 1 98 . 24 C H42 H 6.925 0.006 1 99 . 24 C H5 H 5.674 0.010 1 100 . 24 C H6 H 7.795 0.014 1 101 . 25 G H1 H 12.986 0.003 1 102 . 25 G H1' H 5.755 0.010 1 103 . 25 G H8 H 7.652 0.010 1 104 . 26 U H1' H 5.562 0.010 1 105 . 26 U H2' H 4.390 0.010 1 106 . 26 U H3 H 14.141 0.004 1 107 . 26 U H5 H 5.202 0.010 1 108 . 26 U H6 H 7.768 0.010 1 109 . 27 G H1 H 12.654 0.005 1 110 . 27 G H1' H 6.054 0.010 1 111 . 27 G H3' H 4.849 0.010 1 112 . 27 G H8 H 7.800 0.010 1 113 . 28 G H1 H 12.663 0.003 1 114 . 28 G H21 H 8.541 0.010 1 115 . 28 G H8 H 8.114 0.010 1 116 . 29 U H1' H 5.650 0.016 1 117 . 29 U H3 H 14.361 0.001 1 118 . 29 U H5 H 5.191 0.010 1 119 . 29 U H6 H 7.919 0.010 1 120 . 30 C H3' H 4.446 0.010 1 121 . 30 C H41 H 8.574 0.010 1 122 . 30 C H42 H 7.058 0.010 1 123 . 30 C H5 H 5.704 0.010 1 124 . 30 C H6 H 7.888 0.010 1 125 . 31 C H1' H 5.469 0.010 1 126 . 31 C H3' H 4.501 0.010 1 127 . 31 C H41 H 8.557 0.010 1 128 . 31 C H42 H 6.976 0.010 1 129 . 31 C H5 H 5.573 0.010 1 130 . 31 C H6 H 7.808 0.010 1 131 . 32 U H1' H 5.548 0.010 1 132 . 32 U H2' H 4.553 0.010 1 133 . 32 U H3 H 14.104 0.003 1 134 . 32 U H5 H 5.437 0.010 1 135 . 32 U H6 H 7.986 0.010 1 136 . 33 C H1' H 5.606 0.010 1 137 . 33 C H2' H 4.232 0.010 1 138 . 33 C H41 H 8.399 0.010 1 139 . 33 C H42 H 7.057 0.010 1 140 . 33 C H5 H 5.670 0.010 1 141 . 33 C H6 H 7.974 0.010 1 142 . 34 C H1' H 5.723 0.010 1 143 . 34 C H2' H 4.017 0.010 1 144 . 34 C H5 H 5.495 0.010 1 145 . 34 C H6 H 7.679 0.010 1 stop_ save_