data_6652 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RNA helical packing in solution: NMR structure of a 30 kDa GAAA tetraloop receptor complex ; _BMRB_accession_number 6652 _BMRB_flat_file_name bmr6652.str _Entry_type original _Submission_date 2005-06-01 _Accession_date 2005-06-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '30 kDa homodimer RNA containing two identical GAAA tetraloop 11-nt receptor interactions' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davis Jared H. . 2 Tonelli Marco . . 3 Scott Lincoln G. . 4 James Williamson R. . 5 Butcher Samuel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 239 "13C chemical shifts" 88 "15N chemical shifts" 23 "residual dipolar couplings" 12 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-09-08 original author . stop_ _Original_release_date 2005-09-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; RNA Helical Packing in Solution: NMR Structure of a 30kDa GAAA Tetraloop-Receptor Complex. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16002091 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davis Jared H. . 2 Tonelli Marco . . 3 Scott Lincoln G. . 4 Jaeger Luc . . 5 Williamson James R. . 6 Butcher Samuel E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 351 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 371 _Page_last 382 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GAAA tetraloop/Recptor homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label . $GAAA_tetraloop_11-nt_receptor_RNA . $GAAA_tetraloop_11-nt_receptor_RNA stop_ _System_molecular_weight 30000 _System_physical_state native _System_oligomer_state 'RNA RNA homodimer' _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'Homodimer RNA consisting with two identical tetraloop-receptor interactions' save_ ######################## # Monomeric polymers # ######################## save_GAAA_tetraloop_11-nt_receptor_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'GAAA tetraloop 11-nt receptor RNA' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; GGGAUAUGGAAGAACCGGGG AAACUUGGUUCUUCCUAAGU CCU ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 U 6 A 7 U 8 G 9 G 10 A 11 A 12 G 13 A 14 A 15 C 16 C 17 G 18 G 19 G 20 G 21 A 22 A 23 A 24 C 25 U 26 U 27 G 28 G 29 U 30 U 31 C 32 U 33 U 34 C 35 C 36 U 37 A 38 A 39 G 40 U 41 C 42 C 43 U 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 $GAAA_tetraloop_11-nt_receptor_RNA . . . . . . 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 $GAAA_tetraloop_11-nt_receptor_RNA 'enzymatic semisynthesis' . . . . . 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 $GAAA_tetraloop_11-nt_receptor_RNA 1.2 mM '[U-95% 13C; U-95% 15N]' 'pf1 phage' 17 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model inova _Field_strength 600 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model inova _Field_strength 800 _Details . save_ save_spectrometer_6 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model inova _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label $sample_1 save_ save_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label $sample_1 save_ save_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $sample_1 save_ save_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_HNN-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY _Sample_label $sample_1 save_ save_1H-13C-1H_NOESY_HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H NOESY HMQC' _Sample_label $sample_1 save_ save_F2f_13C_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'F2f 13C 1H-1H NOESY' _Sample_label $sample_1 save_ save_F1f_F2e_13C_1H-1H_NOESY_F1e_F2e_13C_1H-1H_NOESY_F1f_13C_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'F1f F2e 13C 1H-1H NOESY F1e F2e 13C 1H-1H NOESY F1f 13C 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH temperature 283 1 K stop_ save_ save_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_2 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name . _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 G H1 H 10.677 0.011 1 2 1 1 G H1' H 5.833 0.002 1 3 1 1 G H2' H 4.955 0.001 1 4 1 1 G H21 H 6.447 0.000 1 5 1 1 G H22 H 6.451 0.000 1 6 1 1 G H3' H 4.763 0.002 1 7 1 1 G H4' H 4.532 0.001 1 8 1 1 G H8 H 8.182 0.011 1 9 1 1 G N1 N 144.355 0.000 1 10 2 2 G C1' C 91.566 0.039 1 11 2 2 G H1 H 12.818 0.014 1 12 2 2 G H1' H 5.833 0.015 1 13 2 2 G H2' H 4.661 0.001 1 14 2 2 G H8 H 7.611 0.005 1 15 2 2 G N1 N 147.238 0.000 1 16 3 3 G C1' C 91.962 0.000 1 17 3 3 G C8 C 135.924 0.000 1 18 3 3 G H1 H 12.331 0.010 1 19 3 3 G H1' H 5.724 0.008 1 20 3 3 G H2' H 4.535 0.002 1 21 3 3 G H8 H 7.215 0.017 1 22 3 3 G N1 N 146.910 0.000 1 23 4 4 A C1' C 92.155 0.000 1 24 4 4 A C2 C 153.900 0.000 1 25 4 4 A H1' H 5.877 0.002 1 26 4 4 A H2 H 7.736 0.024 1 27 4 4 A H2' H 4.433 0.001 1 28 4 4 A H61 H 7.909 0.004 1 29 4 4 A H62 H 6.275 0.008 1 30 4 4 A H8 H 7.538 0.000 1 31 5 5 U C1' C 92.612 0.000 1 32 5 5 U C5 C 101.182 0.000 1 33 5 5 U C6 C 140.755 0.000 1 34 5 5 U H1' H 5.429 0.008 1 35 5 5 U H2' H 4.679 0.008 1 36 5 5 U H3 H 11.563 0.007 1 37 5 5 U H5 H 4.799 0.013 1 38 5 5 U H6 H 7.350 0.002 1 39 5 5 U N3 N 156.584 0.000 1 40 6 6 A C1' C 85.611 0.000 1 41 6 6 A C2 C 154.989 0.000 1 42 6 6 A C8 C 140.096 0.000 1 43 6 6 A H1' H 5.956 0.002 1 44 6 6 A H2 H 7.612 0.020 1 45 6 6 A H2' H 5.026 0.025 1 46 6 6 A H3' H 5.028 0.026 1 47 6 6 A H4' H 4.688 0.000 1 48 6 6 A H61 H 9.070 0.003 1 49 6 6 A H62 H 6.811 0.018 1 50 6 6 A H8 H 8.041 0.001 1 51 7 7 U C1' C 91.183 0.000 1 52 7 7 U C5 C 104.041 0.010 1 53 7 7 U C6 C 145.025 0.000 1 54 7 7 U H1' H 6.130 0.017 1 55 7 7 U H2' H 4.858 0.003 1 56 7 7 U H3' H 5.014 0.002 1 57 7 7 U H5 H 6.058 0.011 1 58 7 7 U H6 H 8.077 0.006 1 59 8 8 G C1' C 90.520 0.000 1 60 8 8 G C8 C 136.652 0.000 1 61 8 8 G H1 H 12.389 0.004 1 62 8 8 G H1' H 6.116 0.006 1 63 8 8 G H2' H 5.015 0.002 1 64 8 8 G H21 H 8.870 0.003 1 65 8 8 G H22 H 8.313 0.002 1 66 8 8 G H8 H 7.572 0.017 1 67 8 8 G N1 N 146.561 0.000 1 68 9 9 G C1' C 89.215 0.000 1 69 9 9 G C8 C 136.141 0.000 1 70 9 9 G H1 H 12.699 0.011 1 71 9 9 G H1' H 5.665 0.021 1 72 9 9 G H2' H 4.388 0.009 1 73 9 9 G H21 H 8.013 0.000 1 74 9 9 G H22 H 5.924 0.000 1 75 9 9 G H8 H 6.809 0.017 1 76 9 9 G N1 N 147.980 0.000 1 77 10 10 A C1' C 92.028 0.000 1 78 10 10 A C2 C 152.915 0.000 1 79 10 10 A C8 C 138.961 0.000 1 80 10 10 A H1' H 6.028 0.001 1 81 10 10 A H2 H 7.096 0.004 1 82 10 10 A H2' H 4.567 0.001 1 83 10 10 A H61 H 7.830 0.005 1 84 10 10 A H62 H 6.406 0.019 1 85 10 10 A H8 H 7.795 0.012 1 86 11 11 A C1' C 92.119 0.000 1 87 11 11 A C2 C 152.945 0.005 1 88 11 11 A C8 C 138.987 0.000 1 89 11 11 A H1' H 5.903 0.004 1 90 11 11 A H2 H 7.343 0.020 1 91 11 11 A H2' H 4.557 0.001 1 92 11 11 A H61 H 7.896 0.008 1 93 11 11 A H62 H 6.444 0.015 1 94 11 11 A H8 H 7.722 0.028 1 95 12 12 G C8 C 135.678 0.000 1 96 12 12 G H1 H 12.566 0.004 1 97 12 12 G H1' H 5.589 0.011 1 98 12 12 G H2' H 4.384 0.017 1 99 12 12 G H21 H 7.895 0.000 1 100 12 12 G H22 H 6.015 0.000 1 101 12 12 G H8 H 7.155 0.014 1 102 12 12 G N1 N 146.782 0.000 1 103 13 13 A C1' C 89.775 0.000 1 104 13 13 A C2 C 152.941 0.015 1 105 13 13 A H1' H 5.848 0.005 1 106 13 13 A H2 H 7.159 0.016 1 107 13 13 A H2' H 4.370 0.001 1 108 13 13 A H61 H 8.002 0.004 1 109 13 13 A H62 H 6.418 0.000 1 110 13 13 A H8 H 7.704 0.018 1 111 13 13 A C8 C 138.996 0.000 1 112 14 14 A C1' C 90.527 0.000 1 113 14 14 A C2 C 153.900 0.000 1 114 14 14 A C8 C 138.786 0.000 1 115 14 14 A H1' H 5.928 0.001 1 116 14 14 A H2 H 7.735 0.027 1 117 14 14 A H2' H 4.299 0.000 1 118 14 14 A H61 H 8.266 0.000 1 119 14 14 A H62 H 6.536 0.000 1 120 14 14 A H8 H 7.848 0.030 1 121 15 15 C C1' C 92.349 0.000 1 122 15 15 C C5 C 95.878 0.000 1 123 15 15 C C6 C 141.404 0.000 1 124 15 15 C H1' H 5.388 0.001 1 125 15 15 C H2' H 4.089 0.003 1 126 15 15 C H41 H 8.290 0.000 1 127 15 15 C H42 H 6.924 0.002 1 128 15 15 C H5 H 5.173 0.003 1 129 15 15 C H6 H 7.493 0.020 1 130 16 16 C C5 C 96.169 0.000 1 131 16 16 C C6 C 141.398 0.000 1 132 16 16 C H1' H 5.593 0.004 1 133 16 16 C H2' H 4.538 0.002 1 134 16 16 C H41 H 8.441 0.000 1 135 16 16 C H42 H 6.749 0.000 1 136 16 16 C H5 H 5.432 0.004 1 137 16 16 C H6 H 7.668 0.002 1 138 17 17 G C1' C 91.822 0.000 1 139 17 17 G H1 H 10.321 0.003 1 140 17 17 G H1' H 5.734 0.007 1 141 17 17 G H2' H 4.573 0.006 1 142 17 17 G H22 H 5.713 0.004 1 143 17 17 G H8 H 7.459 0.010 1 144 17 17 G N1 N 143.249 0.000 1 145 18 18 G C1' C 91.328 0.000 1 146 18 18 G C8 C 135.964 0.000 1 147 18 18 G H1 H 10.863 0.003 1 148 18 18 G H1' H 5.714 0.012 1 149 18 18 G H2' H 4.533 0.001 1 150 18 18 G H21 H 6.598 0.000 1 151 18 18 G H22 H 6.582 0.000 1 152 18 18 G H8 H 6.956 0.007 1 153 18 18 G N1 N 143.376 0.000 1 154 19 19 G C1' C 91.697 0.000 1 155 19 19 G C8 C 135.309 0.000 1 156 19 19 G H1 H 13.312 0.005 1 157 19 19 G H1' H 5.760 0.009 1 158 19 19 G H2' H 4.504 0.001 1 159 19 19 G H21 H 9.019 0.008 1 160 19 19 G H22 H 6.656 0.004 1 161 19 19 G H8 H 6.960 0.006 1 162 19 19 G N1 N 148.363 0.000 1 163 20 20 G C1' C 92.671 0.000 1 164 20 20 G C8 C 135.912 0.000 1 165 20 20 G H1 H 11.287 0.003 1 166 20 20 G H1' H 5.593 0.015 1 167 20 20 G H2' H 4.197 0.003 1 168 20 20 G H21 H 8.333 0.003 1 169 20 20 G H22 H 6.852 0.000 1 170 20 20 G H8 H 7.294 0.023 1 171 20 20 G N1 N 146.520 0.000 1 172 21 21 A C1' C 92.657 0.000 1 173 21 21 A C2 C 152.145 0.000 1 174 21 21 A C8 C 142.195 0.000 1 175 21 21 A H1' H 5.580 0.007 1 176 21 21 A H2 H 6.935 0.003 1 177 21 21 A H2' H 4.724 0.001 1 178 21 21 A H8 H 8.505 0.012 1 179 22 22 A C1' C 92.814 0.000 1 180 22 22 A C2 C 156.652 0.023 1 181 22 22 A C8 C 140.576 0.000 1 182 22 22 A H1' H 5.521 0.004 1 183 22 22 A H2 H 7.863 0.028 1 184 22 22 A H2' H 4.279 0.001 1 185 22 22 A H8 H 8.007 0.010 1 186 23 23 A C1' C 91.564 0.000 1 187 23 23 A C2 C 157.746 0.004 1 188 23 23 A C8 C 141.828 0.000 1 189 23 23 A H1' H 5.710 0.004 1 190 23 23 A H2 H 8.681 0.021 1 191 23 23 A H2' H 4.457 0.002 1 192 23 23 A H8 H 8.325 0.024 1 193 24 24 C C1' C 93.190 0.000 1 194 24 24 C C5 C 97.811 0.000 1 195 24 24 C H1' H 3.282 0.022 1 196 24 24 C H2' H 4.418 0.015 1 197 24 24 C H3' H 3.910 0.002 1 198 24 24 C H4' H 4.253 0.004 1 199 24 24 C H41 H 8.573 0.003 1 200 24 24 C H42 H 7.093 0.008 1 201 24 24 C H5 H 6.093 0.026 1 202 24 24 C H6 H 7.693 0.002 1 203 25 25 U C1' C 92.802 0.000 1 204 25 25 U C5 C 103.077 0.000 1 205 25 25 U H1' H 5.492 0.009 1 206 25 25 U H2' H 4.179 0.008 1 207 25 25 U H3 H 11.624 0.005 1 208 25 25 U H5 H 5.624 0.007 1 209 25 25 U H6 H 8.023 0.005 1 210 25 25 U N3 N 157.774 0.000 1 211 26 26 U C1' C 92.405 0.000 1 212 26 26 U H1' H 5.643 0.016 1 213 26 26 U H2' H 4.300 0.004 1 214 26 26 U H3 H 11.700 0.006 1 215 26 26 U H5 H 5.648 0.008 1 216 26 26 U H6 H 8.062 0.005 1 217 26 26 U N3 N 158.510 0.000 1 218 27 27 G C8 C 137.750 0.000 1 219 27 27 G H1 H 12.421 0.011 1 220 27 27 G H1' H 5.742 0.002 1 221 27 27 G H2' H 4.695 0.013 1 222 27 27 G H8 H 8.032 0.014 1 223 27 27 G N1 N 146.767 0.000 1 224 28 28 G C8 C 135.703 0.000 1 225 28 28 G H1 H 13.205 0.004 1 226 28 28 G H1' H 5.729 0.001 1 227 28 28 G H2' H 4.364 0.002 1 228 28 28 G H21 H 8.394 0.000 1 229 28 28 G H22 H 6.112 0.000 1 230 28 28 G H8 H 7.322 0.017 1 231 28 28 G N1 N 147.956 0.000 1 232 29 29 U C1' C 92.384 0.000 1 233 29 29 U C5 C 101.431 0.000 1 234 29 29 U H1' H 5.562 0.012 1 235 29 29 U H2' H 4.374 0.007 1 236 29 29 U H3 H 14.495 0.003 1 237 29 29 U H5 H 5.026 0.008 1 238 29 29 U H6 H 7.847 0.005 1 239 29 29 U N3 N 162.333 0.000 1 240 30 30 U C5 C 102.413 0.000 1 241 30 30 U H1' H 5.682 0.003 1 242 30 30 U H2' H 4.455 0.006 1 243 30 30 U H3 H 14.004 0.005 1 244 30 30 U H5 H 5.588 0.015 1 245 30 30 U H6 H 7.976 0.010 1 246 30 30 U N3 N 162.129 0.000 1 247 31 31 C H1' H 5.480 0.001 1 248 31 31 C H2' H 4.291 0.004 1 249 31 31 C H41 H 8.387 0.004 1 250 31 31 C H42 H 6.893 0.007 1 251 31 31 C H5 H 5.677 0.002 1 252 31 31 C H6 H 7.786 0.002 1 253 32 32 U C1' C 92.612 0.000 1 254 32 32 U C5 C 102.113 0.000 1 255 32 32 U H1' H 5.442 0.007 1 256 32 32 U H2' H 4.413 0.004 1 257 32 32 U H3 H 13.995 0.008 1 258 32 32 U H5 H 5.382 0.012 1 259 32 32 U H6 H 7.865 0.008 1 260 32 32 U N3 N 162.720 0.000 1 261 33 33 U C1' C 91.582 0.000 1 262 33 33 U C5 C 102.135 0.000 1 263 33 33 U C6 C 142.651 0.000 1 264 33 33 U H1' H 5.575 0.008 1 265 33 33 U H2' H 4.417 0.004 1 266 33 33 U H3 H 13.641 0.004 1 267 33 33 U H5 H 5.551 0.004 1 268 33 33 U H6 H 7.945 0.012 1 269 33 33 U N3 N 162.472 0.000 1 270 34 34 C C1' C 92.558 0.000 1 271 34 34 C C5 C 96.132 0.000 1 272 34 34 C H1' H 5.448 0.023 1 273 34 34 C H2' H 4.242 0.003 1 274 34 34 C H41 H 8.378 0.002 1 275 34 34 C H42 H 7.072 0.000 1 276 34 34 C H5 H 5.692 0.011 1 277 34 34 C H6 H 7.889 0.002 1 278 35 35 C C1' C 92.558 0.000 1 279 35 35 C C5 C 96.305 0.000 1 280 35 35 C H1' H 5.487 0.000 1 281 35 35 C H2' H 4.156 0.000 1 282 35 35 C H41 H 8.056 0.000 1 283 35 35 C H42 H 6.555 0.009 1 284 35 35 C H5 H 5.381 0.013 1 285 35 35 C H6 H 7.739 0.001 1 286 36 36 U H1' H 5.586 0.002 1 287 36 36 U C5 C 102.884 0.000 1 288 36 36 U H2' H 4.359 0.004 1 289 36 36 U H3 H 11.496 0.005 1 290 36 36 U H5 H 5.616 0.007 1 291 36 36 U H6 H 7.736 0.003 1 292 36 36 U N3 N 159.320 0.000 1 293 37 37 A C1' C 88.517 0.000 1 294 37 37 A C2 C 153.300 0.000 1 295 37 37 A C8 C 139.881 0.000 1 296 37 37 A H1' H 7.198 0.019 1 297 37 37 A H2 H 6.836 0.017 1 298 37 37 A H2' H 4.288 0.003 1 299 37 37 A H3' H 4.999 0.002 1 300 37 37 A H8 H 7.913 0.016 1 301 37 37 A HO2' H 6.943 0.000 1 302 38 38 A C1' C 91.394 0.000 1 303 38 38 A C2 C 153.314 0.000 1 304 38 38 A H1' H 3.699 0.012 1 305 38 38 A H2 H 7.960 0.011 1 306 38 38 A H2' H 4.444 0.001 1 307 38 38 A H8 H 7.613 0.002 1 308 39 39 G C1' C 91.062 0.000 1 309 39 39 G C8 C 136.741 0.000 1 310 39 39 G H1 H 11.289 0.020 1 311 39 39 G H1' H 4.941 0.002 1 312 39 39 G H2' H 4.301 0.000 1 313 39 39 G H21 H 6.390 0.003 1 314 39 39 G H22 H 6.397 0.000 1 315 39 39 G H8 H 7.402 0.004 1 316 39 39 G N1 N 143.440 0.000 1 317 40 40 U C1' C 92.065 0.000 1 318 40 40 U C5 C 101.857 0.000 1 319 40 40 U C6 C 141.318 0.000 1 320 40 40 U H1' H 5.342 0.007 1 321 40 40 U H2' H 4.262 0.003 1 322 40 40 U H3 H 14.201 0.014 1 323 40 40 U H5 H 5.369 0.010 1 324 40 40 U H6 H 7.617 0.006 1 325 40 40 U N3 N 164.361 0.000 1 326 41 41 C C1' C 92.374 0.000 1 327 41 41 C C5 C 96.132 0.000 1 328 41 41 C H1' H 5.549 0.022 1 329 41 41 C H2' H 4.263 0.016 1 330 41 41 C H41 H 8.300 0.002 1 331 41 41 C H42 H 6.978 0.003 1 332 41 41 C H5 H 5.552 0.021 1 333 41 41 C H6 H 7.887 0.001 1 334 42 42 C C1' C 92.356 0.000 1 335 42 42 C C5 C 96.648 0.000 1 336 42 42 C H1' H 5.457 0.019 1 337 42 42 C H2' H 4.319 0.002 1 338 42 42 C H41 H 8.355 0.004 1 339 42 42 C H42 H 6.860 0.004 1 340 42 42 C H5 H 5.406 0.018 1 341 42 42 C H6 H 7.664 0.003 1 342 43 43 U C1' C 91.318 0.000 1 343 43 43 U C5 C 102.756 0.000 1 344 43 43 U H1' H 5.731 0.009 1 345 43 43 U H2' H 3.996 0.009 1 346 43 43 U H3 H 11.844 0.009 1 347 43 43 U H3' H 4.156 0.000 1 348 43 43 U H5 H 5.611 0.006 1 349 43 43 U H6 H 7.750 0.006 1 350 43 43 U N3 N 158.029 0.000 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error 1DHNN 2 G H 2 G N 15.1 ? ? . . 2.2000 1DHNN 5 U H 5 U N 39.4 ? ? . . 1.2000 1DHNN 9 G H 9 G N 50.4 ? ? . . 1.2000 1DHNN 17 G H 17 G N 8.1 ? ? . . 1.2000 1DHNN 18 G H 18 G N 45.1 ? ? . . 1.2000 1DHNN 20 G H 20 G N 35.2 ? ? . . 1.2000 1DHNN 28 G H 28 G N 26.2 ? ? . . 1.2000 1DHNN 29 U H 29 U N 24.4 ? ? . . 1.2000 1DHNN 33 U H 33 U N 13.5 ? ? . . 1.2000 1DHNN 36 U H 36 U N 51.8 ? ? . . 1.2000 1DHNN 39 G H 39 G N 40.2 ? ? . . 1.2000 1DHNN 43 U H 43 U N 4.96 ? ? . . 1.2000 stop_ _Details . _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 600.13 _Text_data_format . _Text_data . save_