data_6077 ####################### # 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 AUUCCU ; _BMRB_accession_number 6077 _BMRB_flat_file_name bmr6077.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" 407 "13C chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6076 'Wild type, C at residue 10' 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, U10' $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 'AUUCCU bulge' _Abbreviation_common 'stem-loop RNA' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 34 _Mol_residue_sequence ; GGAGGACAUUCCUCACGGGU 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 U 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]-A, U' 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 % . . . '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_1H-13C_CONSTANT_TIME_HSQC_3 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _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 278 . 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 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 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'stem-loop RNA, U10' _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 C8 C 139.186 0.120 1 2 . 1 G H1' H 5.848 0.003 1 3 . 1 G H2' H 4.952 0.003 1 4 . 1 G H3' H 4.726 0.005 1 5 . 1 G H4' H 4.576 0.005 1 6 . 1 G H5'' H 4.278 0.005 1 7 . 1 G H5' H 4.441 0.005 1 8 . 1 G H8 H 8.162 0.003 1 9 . 2 G C8 C 137.055 0.120 1 10 . 2 G H1' H 5.917 0.003 1 11 . 2 G H2' H 4.679 0.005 1 12 . 2 G H3' H 4.619 0.005 1 13 . 2 G H4' H 4.575 0.005 1 14 . 2 G H5'' H 4.518 0.005 1 15 . 2 G H5' H 4.262 0.005 1 16 . 2 G H8 H 7.542 0.003 1 17 . 3 A C1' C 93.158 0.120 1 18 . 3 A C2 C 153.530 0.120 1 19 . 3 A C2' C 76.078 0.120 1 20 . 3 A C3' C 72.919 0.120 1 21 . 3 A C8 C 139.347 0.120 1 22 . 3 A H1' H 6.002 0.003 1 23 . 3 A H2 H 7.468 0.003 1 24 . 3 A H2' H 4.691 0.005 1 25 . 3 A H3' H 4.663 0.006 1 26 . 3 A H4' H 4.523 0.005 1 27 . 3 A H5' H 4.163 0.005 1 28 . 3 A H8 H 7.755 0.006 1 29 . 4 G C8 C 135.748 0.120 1 30 . 4 G H1' H 5.627 0.003 1 31 . 4 G H2' H 4.554 0.003 1 32 . 4 G H3' H 4.406 0.005 1 33 . 4 G H4' H 4.456 0.005 1 34 . 4 G H5'' H 4.423 0.005 1 35 . 4 G H5' H 4.048 0.005 1 36 . 4 G H8 H 7.068 0.003 1 37 . 5 G H1' H 5.712 0.003 1 38 . 5 G H2' H 4.556 0.005 1 39 . 5 G H3' H 4.478 0.005 1 40 . 5 G H5' H 4.051 0.005 1 41 . 5 G H8 H 7.151 0.003 1 42 . 6 A C1' C 93.090 0.120 1 43 . 6 A C2 C 154.252 0.120 1 44 . 6 A C2' C 75.940 0.120 1 45 . 6 A C8 C 139.380 0.120 1 46 . 6 A H1' H 5.987 0.003 1 47 . 6 A H2 H 7.809 0.003 1 48 . 6 A H2' H 4.585 0.005 1 49 . 6 A H3' H 4.592 0.005 1 50 . 6 A H4' H 4.480 0.005 1 51 . 6 A H5' H 4.105 0.005 1 52 . 6 A H8 H 7.795 0.004 1 53 . 7 C C1' C 93.709 0.120 1 54 . 7 C C5 C 97.676 0.120 1 55 . 7 C H1' H 5.325 0.003 1 56 . 7 C H2' H 4.434 0.003 1 57 . 7 C H3' H 4.285 0.003 1 58 . 7 C H4' H 4.383 0.005 1 59 . 7 C H5 H 5.185 0.003 1 60 . 7 C H5'' H 4.484 0.005 1 61 . 7 C H5' H 4.029 0.005 1 62 . 7 C H6 H 7.248 0.003 1 63 . 8 A C1' C 93.338 0.120 1 64 . 8 A C2 C 154.185 0.215 1 65 . 8 A C2' C 76.032 0.120 1 66 . 8 A C3' C 73.442 0.120 1 67 . 8 A C4' C 82.895 0.120 1 68 . 8 A C5' C 65.694 0.120 1 69 . 8 A C8 C 139.727 0.120 1 70 . 8 A H1' H 5.905 0.003 1 71 . 8 A H2 H 7.256 0.003 1 72 . 8 A H2' H 4.320 0.003 1 73 . 8 A H3' H 4.406 0.005 1 74 . 8 A H4' H 4.409 0.005 1 75 . 8 A H5'' H 4.415 0.005 1 76 . 8 A H5' H 4.043 0.005 1 77 . 8 A H8 H 7.879 0.003 1 78 . 9 U C1' C 91.546 0.120 1 79 . 9 U C2' C 76.143 0.120 1 80 . 9 U C4' C 84.182 0.120 1 81 . 9 U C5 C 104.309 0.120 1 82 . 9 U C5' C 66.166 0.120 1 83 . 9 U C6 C 141.781 0.120 1 84 . 9 U H1' H 5.431 0.003 1 85 . 9 U H2' H 4.024 0.003 1 86 . 9 U H3' H 4.396 0.003 1 87 . 9 U H4' H 4.240 0.004 1 88 . 9 U H5 H 5.250 0.003 1 89 . 9 U H5'' H 4.249 0.006 1 90 . 9 U H5' H 3.944 0.003 1 91 . 9 U H6 H 7.372 0.003 1 92 . 10 U C1' C 91.831 0.120 1 93 . 10 U C2' C 75.641 0.120 1 94 . 10 U C4' C 84.811 0.120 1 95 . 10 U C5 C 105.141 0.120 1 96 . 10 U C5' C 67.436 0.120 1 97 . 10 U C6 C 143.671 0.120 1 98 . 10 U H1' H 5.775 0.008 1 99 . 10 U H2' H 4.301 0.003 1 100 . 10 U H3' H 4.463 0.003 1 101 . 10 U H4' H 4.316 0.005 1 102 . 10 U H5 H 5.706 0.003 1 103 . 10 U H5'' H 4.108 0.005 1 104 . 10 U H5' H 3.980 0.005 1 105 . 10 U H6 H 7.708 0.003 1 106 . 11 C C5 C 141.052 0.120 1 107 . 11 C C6 C 143.873 0.120 1 108 . 11 C H1' H 5.782 0.003 1 109 . 11 C H2' H 4.342 0.003 1 110 . 11 C H3' H 4.486 0.005 1 111 . 11 C H5 H 5.932 0.003 1 112 . 11 C H6 H 7.810 0.003 1 113 . 12 C C5 C 140.942 0.120 1 114 . 12 C C6 C 143.627 0.120 1 115 . 12 C H1' H 5.731 0.003 1 116 . 12 C H2' H 4.256 0.003 1 117 . 12 C H3' H 4.525 0.005 1 118 . 12 C H4' H 4.251 0.005 1 119 . 12 C H5 H 5.873 0.003 1 120 . 12 C H5' H 4.058 0.005 1 121 . 12 C H6 H 7.745 0.003 1 122 . 13 U C1' C 93.337 0.120 1 123 . 13 U C4' C 84.235 0.120 1 124 . 13 U C5 C 105.325 0.120 1 125 . 13 U C5' C 66.859 0.120 1 126 . 13 U C6 C 143.034 0.207 1 127 . 13 U H1' H 5.900 0.003 1 128 . 13 U H2' H 4.465 0.003 1 129 . 13 U H3' H 4.452 0.005 1 130 . 13 U H4' H 4.546 0.015 1 131 . 13 U H5 H 5.831 0.006 1 132 . 13 U H5'' H 4.334 0.005 1 133 . 13 U H5' H 4.120 0.005 1 134 . 13 U H6 H 7.873 0.003 1 135 . 14 C C5 C 99.162 0.120 1 136 . 14 C H1' H 5.557 0.003 1 137 . 14 C H2' H 4.555 0.003 1 138 . 14 C H3' H 4.706 0.005 1 139 . 14 C H5 H 6.061 0.003 1 140 . 14 C H5'' H 4.554 0.005 1 141 . 14 C H5' H 4.117 0.005 1 142 . 14 C H6 H 8.123 0.003 1 143 . 15 A C1' C 93.013 0.120 1 144 . 15 A C2 C 153.726 0.120 1 145 . 15 A C2' C 75.987 0.120 1 146 . 15 A C3' C 72.840 0.120 1 147 . 15 A C8 C 140.017 0.120 1 148 . 15 A H1' H 6.043 0.003 1 149 . 15 A H2 H 7.611 0.006 1 150 . 15 A H2' H 4.561 0.005 1 151 . 15 A H3' H 4.833 0.005 1 152 . 15 A H4' H 4.552 0.005 1 153 . 15 A H5'' H 4.640 0.005 1 154 . 15 A H5' H 4.243 0.005 1 155 . 15 A H8 H 8.309 0.003 1 156 . 16 C C5 C 97.651 0.120 1 157 . 16 C H1' H 5.513 0.003 1 158 . 16 C H2' H 4.382 0.003 1 159 . 16 C H3' H 4.448 0.005 1 160 . 16 C H4' H 4.433 0.005 1 161 . 16 C H5 H 5.314 0.003 1 162 . 16 C H5' H 4.120 0.005 1 163 . 16 C H6 H 7.611 0.003 1 164 . 17 G C8 C 135.997 0.120 1 165 . 17 G H1' H 5.754 0.003 1 166 . 17 G H2' H 4.503 0.005 1 167 . 17 G H3' H 4.628 0.006 1 168 . 17 G H4' H 4.389 0.005 1 169 . 17 G H5' H 4.123 0.005 1 170 . 17 G H8 H 7.537 0.003 1 171 . 18 G H1' H 5.776 0.005 1 172 . 18 G H2' H 4.571 0.005 1 173 . 18 G H3' H 4.454 0.005 1 174 . 18 G H5' H 4.109 0.005 1 175 . 18 G H8 H 7.186 0.003 1 176 . 19 G H1' H 5.763 0.003 1 177 . 19 G H2' H 4.407 0.005 1 178 . 19 G H4' H 4.346 0.005 1 179 . 19 G H5'' H 4.410 0.005 1 180 . 19 G H5' H 4.076 0.005 1 181 . 19 G H8 H 7.173 0.003 1 182 . 20 U C1' C 92.601 0.239 1 183 . 20 U C2' C 76.066 0.120 1 184 . 20 U C3' C 73.344 0.120 1 185 . 20 U C4' C 83.510 0.120 1 186 . 20 U C5 C 104.143 0.120 1 187 . 20 U C5' C 64.842 0.120 1 188 . 20 U C6 C 143.013 0.120 1 189 . 20 U H1' H 5.439 0.008 1 190 . 20 U H2' H 4.363 0.003 1 191 . 20 U H3' H 4.160 0.010 1 192 . 20 U H4' H 4.084 0.007 1 193 . 20 U H5 H 5.440 0.003 1 194 . 20 U H5'' H 4.168 0.005 1 195 . 20 U H5' H 3.842 0.004 1 196 . 20 U H6 H 7.745 0.003 1 197 . 21 G H1' H 5.482 0.003 1 198 . 21 G H2' H 4.325 0.003 1 199 . 21 G H3' H 4.658 0.003 1 200 . 21 G H4' H 4.298 0.005 1 201 . 21 G H5'' H 3.949 0.005 1 202 . 21 G H5' H 4.088 0.005 1 203 . 21 G H8 H 7.783 0.003 1 204 . 22 A C1' C 91.764 0.120 1 205 . 22 A C2 C 155.834 0.189 1 206 . 22 A C2' C 77.057 0.120 1 207 . 22 A C3' C 73.551 0.120 1 208 . 22 A C4' C 82.825 0.120 1 209 . 22 A C5' C 65.832 0.120 1 210 . 22 A C8 C 140.773 0.120 1 211 . 22 A H1' H 6.139 0.003 1 212 . 22 A H2 H 8.258 0.004 1 213 . 22 A H2' H 4.539 0.007 1 214 . 22 A H3' H 4.977 0.004 1 215 . 22 A H4' H 4.475 0.003 1 216 . 22 A H5'' H 4.552 0.013 1 217 . 22 A H5' H 4.272 0.011 1 218 . 22 A H8 H 8.296 0.003 1 219 . 23 C C5 C 99.383 0.120 1 220 . 23 C H1' H 3.958 0.023 1 221 . 23 C H2' H 4.362 0.005 1 222 . 23 C H3' H 4.075 0.005 1 223 . 23 C H4' H 4.214 0.005 1 224 . 23 C H5 H 6.084 0.004 1 225 . 23 C H5'' H 4.293 0.005 1 226 . 23 C H5' H 4.211 0.005 1 227 . 23 C H6 H 7.900 0.003 1 228 . 24 C C6 C 141.065 0.120 1 229 . 24 C H1' H 5.531 0.005 1 230 . 24 C H2' H 4.598 0.005 1 231 . 24 C H5 H 5.645 0.003 1 232 . 24 C H6 H 7.778 0.003 1 233 . 25 G C8 C 136.375 0.120 1 234 . 25 G H1' H 5.728 0.003 1 235 . 25 G H2' H 4.516 0.005 1 236 . 25 G H5'' H 4.559 0.005 1 237 . 25 G H5' H 4.118 0.005 1 238 . 25 G H8 H 7.635 0.003 1 239 . 26 U C1' C 93.949 0.120 1 240 . 26 U C2' C 75.714 0.120 1 241 . 26 U C5 C 103.372 0.120 1 242 . 26 U C6 C 140.966 0.120 1 243 . 26 U H1' H 5.543 0.003 1 244 . 26 U H2' H 4.362 0.005 1 245 . 26 U H3' H 4.580 0.005 1 246 . 26 U H4' H 4.442 0.005 1 247 . 26 U H5 H 5.160 0.004 1 248 . 26 U H5' H 4.122 0.005 1 249 . 26 U H6 H 7.747 0.004 1 250 . 27 G C1' C 90.247 0.120 1 251 . 27 G H1' H 6.016 0.003 1 252 . 27 G H2' H 4.353 0.003 1 253 . 27 G H3' H 4.820 0.003 1 254 . 27 G H4' H 4.564 0.005 1 255 . 27 G H5'' H 4.518 0.005 1 256 . 27 G H5' H 4.185 0.005 1 257 . 27 G H8 H 7.790 0.003 1 258 . 28 G C8 C 138.731 0.120 1 259 . 28 G H1' H 5.851 0.003 1 260 . 28 G H2' H 4.735 0.003 1 261 . 28 G H3' H 4.583 0.005 1 262 . 28 G H4' H 4.556 0.005 1 263 . 28 G H5'' H 4.442 0.005 1 264 . 28 G H5' H 4.220 0.005 1 265 . 28 G H8 H 8.075 0.003 1 266 . 29 U C1' C 94.081 0.120 1 267 . 29 U C2' C 75.562 0.120 1 268 . 29 U C4' C 82.599 0.120 1 269 . 29 U C5 C 102.636 0.120 1 270 . 29 U C6 C 142.705 0.120 1 271 . 29 U H1' H 5.640 0.003 1 272 . 29 U H2' H 4.601 0.003 1 273 . 29 U H3' H 4.511 0.005 1 274 . 29 U H4' H 4.504 0.005 1 275 . 29 U H5 H 5.162 0.005 1 276 . 29 U H6 H 7.885 0.008 1 277 . 30 C C5 C 97.908 0.120 1 278 . 30 C H1' H 5.601 0.003 1 279 . 30 C H2' H 4.421 0.005 1 280 . 30 C H3' H 4.419 0.005 1 281 . 30 C H4' H 4.473 0.005 1 282 . 30 C H5 H 5.691 0.003 1 283 . 30 C H5' H 4.131 0.005 1 284 . 30 C H6 H 7.884 0.003 1 285 . 31 C C1' C 94.342 0.120 1 286 . 31 C C5 C 97.831 0.120 1 287 . 31 C C6 C 141.587 0.120 1 288 . 31 C H1' H 5.448 0.003 1 289 . 31 C H2' H 4.372 0.005 1 290 . 31 C H3' H 4.473 0.005 1 291 . 31 C H4' H 4.421 0.005 1 292 . 31 C H5 H 5.550 0.003 1 293 . 31 C H5'' H 4.579 0.005 1 294 . 31 C H5' H 4.086 0.005 1 295 . 31 C H6 H 7.809 0.003 1 296 . 32 U C1' C 94.118 0.120 1 297 . 32 U C5 C 103.292 0.120 1 298 . 32 U C6 C 142.612 0.120 1 299 . 32 U H1' H 5.526 0.003 1 300 . 32 U H2' H 4.503 0.003 1 301 . 32 U H3' H 4.553 0.005 1 302 . 32 U H4' H 4.449 0.005 1 303 . 32 U H5 H 5.408 0.003 1 304 . 32 U H5'' H 4.599 0.005 1 305 . 32 U H5' H 4.087 0.005 1 306 . 32 U H6 H 7.962 0.004 1 307 . 33 C C5 C 97.318 0.120 1 308 . 33 C H1' H 5.580 0.003 1 309 . 33 C H2' H 4.208 0.003 1 310 . 33 C H3' H 4.501 0.003 1 311 . 33 C H4' H 4.414 0.005 1 312 . 33 C H5 H 5.655 0.003 1 313 . 33 C H5'' H 4.570 0.005 1 314 . 33 C H5' H 4.076 0.005 1 315 . 33 C H6 H 7.932 0.003 1 316 . 34 C C3' C 69.872 0.120 1 317 . 34 C C5 C 98.138 0.120 1 318 . 34 C C6 C 141.972 0.120 1 319 . 34 C H1' H 5.718 0.003 1 320 . 34 C H2' H 3.987 0.003 1 321 . 34 C H3' H 4.167 0.003 1 322 . 34 C H4' H 4.166 0.005 1 323 . 34 C H5 H 5.483 0.003 1 324 . 34 C H5'' H 4.486 0.005 1 325 . 34 C H5' H 4.030 0.005 1 326 . 34 C H6 H 7.664 0.003 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, U10' _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 H1' H 5.836 0.010 1 2 . 1 G H8 H 8.178 0.010 1 3 . 2 G H1 H 12.412 0.005 1 4 . 2 G H1' H 5.921 0.010 1 5 . 2 G H2' H 4.661 0.010 1 6 . 2 G H4' H 4.559 0.010 1 7 . 2 G H8 H 7.524 0.010 1 8 . 3 A H1' H 5.992 0.010 1 9 . 3 A H2 H 7.456 0.005 1 10 . 3 A H2' H 4.696 0.010 1 11 . 3 A H61 H 8.350 0.010 1 12 . 3 A H8 H 7.756 0.010 1 13 . 4 G H1 H 12.771 0.005 1 14 . 4 G H1' H 5.613 0.010 1 15 . 4 G H2' H 4.546 0.010 1 16 . 4 G H21 H 8.325 0.010 1 17 . 4 G H22 H 6.100 0.010 1 18 . 4 G H5' H 4.030 0.010 1 19 . 4 G H8 H 7.071 0.010 1 20 . 5 G H1 H 12.493 0.005 1 21 . 5 G H1' H 5.707 0.010 1 22 . 5 G H5' H 4.036 0.010 1 23 . 5 G H8 H 7.160 0.010 1 24 . 6 A H1' H 5.986 0.010 1 25 . 6 A H2 H 7.796 0.010 1 26 . 6 A H2' H 4.594 0.010 1 27 . 6 A H8 H 7.824 0.010 1 28 . 7 C H1' H 5.305 0.010 1 29 . 7 C H2' H 4.450 0.010 1 30 . 7 C H3' H 4.273 0.010 1 31 . 7 C H4' H 4.391 0.010 1 32 . 7 C H41 H 8.081 0.013 1 33 . 7 C H42 H 7.040 0.008 1 34 . 7 C H5 H 5.188 0.010 1 35 . 7 C H5' H 4.014 0.010 1 36 . 7 C H6 H 7.249 0.005 1 37 . 8 A H1' H 5.892 0.005 1 38 . 8 A H2 H 7.183 0.010 1 39 . 8 A H2' H 4.348 0.024 1 40 . 8 A H8 H 7.849 0.012 1 41 . 9 U H1' H 5.379 0.010 1 42 . 9 U H2' H 3.994 0.010 1 43 . 9 U H5 H 5.200 0.010 1 44 . 9 U H5' H 3.927 0.010 1 45 . 9 U H6 H 7.329 0.005 1 46 . 10 U H1' H 5.743 0.010 1 47 . 10 U H2' H 4.312 0.010 1 48 . 10 U H5 H 5.670 0.010 1 49 . 10 U H6 H 7.710 0.010 1 50 . 11 C H1' H 5.737 0.010 1 51 . 11 C H2' H 4.360 0.010 1 52 . 11 C H5 H 5.899 0.010 1 53 . 11 C H6 H 7.814 0.010 1 54 . 12 C H1' H 5.703 0.010 1 55 . 12 C H2' H 4.266 0.010 1 56 . 12 C H5 H 5.854 0.010 1 57 . 12 C H6 H 7.747 0.010 1 58 . 13 U H1' H 5.860 0.010 1 59 . 13 U H2' H 4.458 0.010 1 60 . 13 U H5 H 5.812 0.010 1 61 . 13 U H6 H 7.862 0.010 1 62 . 14 C H1' H 5.540 0.010 1 63 . 14 C H2' H 4.539 0.010 1 64 . 14 C H3' H 4.710 0.010 1 65 . 14 C H41 H 8.574 0.020 1 66 . 14 C H42 H 7.311 0.005 1 67 . 14 C H5 H 6.049 0.010 1 68 . 14 C H6 H 8.141 0.005 1 69 . 15 A H1' H 6.034 0.010 1 70 . 15 A H2 H 7.599 0.011 1 71 . 15 A H2' H 4.533 0.026 1 72 . 15 A H3' H 4.842 0.010 1 73 . 15 A H8 H 8.316 0.010 1 74 . 16 C H1' H 5.518 0.010 1 75 . 16 C H2' H 4.372 0.010 1 76 . 16 C H41 H 8.307 0.010 1 77 . 16 C H42 H 6.955 0.010 1 78 . 16 C H5 H 5.313 0.005 1 79 . 16 C H6 H 7.623 0.011 1 80 . 17 G H1 H 12.414 0.005 1 81 . 17 G H1' H 5.749 0.010 1 82 . 17 G H2' H 4.500 0.010 1 83 . 17 G H3' H 4.618 0.010 1 84 . 17 G H8 H 7.530 0.010 1 85 . 18 G H1 H 13.118 0.005 1 86 . 18 G H1' H 5.779 0.010 1 87 . 18 G H2' H 4.561 0.010 1 88 . 18 G H8 H 7.179 0.010 1 89 . 19 G H1 H 10.890 0.005 1 90 . 19 G H1' H 5.782 0.010 1 91 . 19 G H22 H 6.926 0.010 1 92 . 20 U H5 H 5.401 0.010 1 93 . 20 U H6 H 7.762 0.010 1 94 . 21 G H1 H 10.528 0.010 1 95 . 21 G H1' H 5.470 0.010 1 96 . 21 G H2' H 4.279 0.010 1 97 . 21 G H21 H 6.174 0.010 1 98 . 21 G H3' H 4.661 0.010 1 99 . 21 G H5'' H 3.947 0.010 1 100 . 21 G H5' H 4.128 0.010 1 101 . 21 G H8 H 7.781 0.010 1 102 . 22 A H1' H 6.123 0.010 1 103 . 22 A H2 H 8.250 0.010 1 104 . 22 A H3' H 4.953 0.010 1 105 . 22 A H4' H 4.471 0.010 1 106 . 22 A H8 H 8.285 0.005 1 107 . 23 C H1' H 3.769 0.036 1 108 . 23 C H2' H 4.341 0.010 1 109 . 23 C H4' H 4.169 0.010 1 110 . 23 C H41 H 8.757 0.005 1 111 . 23 C H42 H 7.098 0.010 1 112 . 23 C H5 H 6.073 0.005 1 113 . 23 C H6 H 7.915 0.008 1 114 . 24 C H1' H 5.513 0.010 1 115 . 24 C H2' H 4.577 0.010 1 116 . 24 C H41 H 8.489 0.005 1 117 . 24 C H42 H 6.939 0.006 1 118 . 24 C H5 H 5.640 0.010 1 119 . 24 C H6 H 7.772 0.010 1 120 . 25 G H1 H 12.954 0.005 1 121 . 25 G H21 H 8.141 0.010 1 122 . 25 G H22 H 5.992 0.010 1 123 . 25 G H8 H 7.639 0.010 1 124 . 26 U H1' H 5.525 0.010 1 125 . 26 U H2' H 4.356 0.010 1 126 . 26 U H3 H 14.117 0.011 1 127 . 26 U H5 H 5.158 0.010 1 128 . 26 U H6 H 7.748 0.010 1 129 . 27 G H1 H 12.616 0.005 1 130 . 27 G H1' H 6.015 0.010 1 131 . 27 G H2' H 4.334 0.010 1 132 . 27 G H21 H 8.489 0.010 1 133 . 27 G H22 H 6.428 0.010 1 134 . 27 G H3' H 4.816 0.010 1 135 . 27 G H4' H 4.549 0.010 1 136 . 27 G H8 H 7.786 0.010 1 137 . 28 G H1 H 12.628 0.005 1 138 . 28 G H1' H 5.841 0.010 1 139 . 28 G H2' H 4.731 0.010 1 140 . 28 G H21 H 8.488 0.010 1 141 . 28 G H22 H 6.437 0.010 1 142 . 28 G H8 H 8.085 0.010 1 143 . 29 U H1' H 5.623 0.011 1 144 . 29 U H2' H 4.617 0.010 1 145 . 29 U H3 H 14.356 0.005 1 146 . 29 U H5 H 5.150 0.010 1 147 . 29 U H6 H 7.889 0.010 1 148 . 30 C H1' H 5.588 0.010 1 149 . 30 C H41 H 8.540 0.010 1 150 . 30 C H42 H 7.053 0.010 1 151 . 30 C H5 H 5.674 0.010 1 152 . 30 C H6 H 7.891 0.010 1 153 . 31 C H1' H 5.436 0.010 1 154 . 31 C H41 H 8.522 0.010 1 155 . 31 C H42 H 6.969 0.010 1 156 . 31 C H5 H 5.545 0.010 1 157 . 31 C H6 H 7.804 0.010 1 158 . 32 U H1' H 5.515 0.010 1 159 . 32 U H2' H 4.533 0.010 1 160 . 32 U H3 H 14.069 0.005 1 161 . 32 U H5 H 5.406 0.010 1 162 . 32 U H6 H 7.951 0.010 1 163 . 33 C H1' H 5.568 0.010 1 164 . 33 C H2' H 4.205 0.010 1 165 . 33 C H41 H 8.364 0.010 1 166 . 33 C H42 H 7.060 0.010 1 167 . 33 C H5 H 5.635 0.010 1 168 . 33 C H6 H 7.933 0.010 1 169 . 34 C H5 H 5.465 0.010 1 170 . 34 C H6 H 7.644 0.010 1 stop_ save_