data_6814 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Class I GTP aptamer ; _BMRB_accession_number 6814 _BMRB_flat_file_name bmr6814.str _Entry_type original _Submission_date 2005-09-09 _Accession_date 2005-09-29 _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 Carothers J. M. . 2 Davis J. H. . 3 Chou J. J. . 4 Szostak J. W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 295 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-07-16 update BMRB 'GTP now listed as a ligand' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of an informationally complex high-affinity RNA aptamer to GTP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16510427 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carothers J. M. . 2 Davis J. H. . 3 Chou J. J. . 4 Szostak J. W. . stop_ _Journal_abbreviation RNA _Journal_volume 12 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 567 _Page_last 579 _Year 2006 _Details . loop_ _Keyword aptamer RNA stop_ save_ ################################## # Molecular system description # ################################## save_system_c1 _Saveframe_category molecular_system _Mol_system_name 'Class I RNA aptamer to GTP' _Abbreviation_common 'Class I RNA aptamer to GTP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Class I RNA aptamer to GTP' $c1 GUANOSINE-5'-TRIPHOSPHATE $GTP 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_c1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'Class I RNA aptamer to GTP' _Abbreviation_common 'Class I RNA aptamer to GTP' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; GGGACGAAGUGGUUGGGCGC UUCGGCGUGUGAAAACGUCU C ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 C 6 G 7 A 8 A 9 G 10 U 11 G 12 G 13 U 14 U 15 G 16 G 17 G 18 C 19 G 20 C 21 U 22 U 23 C 24 G 25 G 26 C 27 G 28 U 29 G 30 U 31 G 32 A 33 A 34 A 35 A 36 C 37 G 38 U 39 C 40 U 41 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GTP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common "GTP (GUANOSINE-5'-TRIPHOSPHATE)" _BMRB_code . _PDB_code GTP _Molecular_mass 523.180 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:01:36 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? O3B O3B O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING O3B PB ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $c1 . . . . . . 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 $c1 'chemical synthesis' . . . . . 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 $c1 3.3 mM '[U-15N; U-13C]' $GTP 3.63 mM . 'phosphate buffer' 10 % . D2O 99 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c1 0.9 mM '[U-15N; U-13C]' $GTP 0.99 mM . 'phosphate buffer' 10 % . D2O 99 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c1 3.3 mM '[U-15N; U-13C]' $GTP 3.63 mM . 'phosphate buffer' 10 % . D2O 5 % . H2O 95 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c1 0.9 mM '[U-15N; U-13C]' $GTP 0.99 mM . 'phosphate buffer' 10 % . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details Delaglio save_ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.2 loop_ _Task 'structure solution, refinement' stop_ _Details 'Clore, Tjandra, Schwieters, Kuszewski' save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3 loop_ _Task 'data analysis' stop_ _Details 'Kneller and Kuntz' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_2D_1H_decoupled_13C-1H_CT_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H decoupled 13C-1H CT HSQC' _Sample_label . save_ save_2D_13C-1H_CT-TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-1H CT-TROSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H decoupled 13C-1H CT HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-1H CT-TROSY' _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' 80 . mM pH 6.1 . pH pressure 1 . atm temperature 288 . 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' 80 . mM pH 6.1 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_cond_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 80 . mM pH 6.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_cond_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 80 . mM pH 6.8 . pH pressure 1 . atm temperature 303 . 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_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Class I RNA aptamer to GTP' _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 13.050 . . 2 . 1 G H1' H 5.626 . . 3 . 1 G H21 H 8.206 . . 4 . 1 G H22 H 6.628 . . 5 . 1 G H3' H 4.607 . . 6 . 1 G H4' H 4.407 . . 7 . 1 G H5' H 4.076 . . 8 . 1 G H5'' H 4.534 . . 9 . 1 G H8 H 7.673 . . 10 . 2 G H1 H 11.029 . . 11 . 2 G H1' H 5.498 . . 12 . 2 G H21 H 8.278 . . 13 . 2 G H22 H 8.300 . . 14 . 2 G H3' H 4.563 . . 15 . 2 G H4' H 4.508 . . 16 . 2 G H5' H 4.537 . . 17 . 2 G H5'' H 4.132 . . 18 . 2 G H8 H 8.146 . . 19 . 3 G H1 H 12.948 . . 20 . 3 G H1' H 5.717 . . 21 . 3 G H21 H 7.977 . . 22 . 3 G H22 H 6.611 . . 23 . 3 G H3' H 4.232 . . 24 . 3 G H4' H 4.235 . . 25 . 3 G H5' H 4.167 . . 26 . 3 G H8 H 7.289 . . 27 . 4 A H1' H 6.029 . . 28 . 4 A H2 H 7.719 . . 29 . 4 A H3' H 4.653 . . 30 . 4 A H4' H 4.644 . . 31 . 4 A H8 H 7.980 . . 32 . 5 C H1' H 5.214 . . 33 . 5 C H3' H 4.232 . . 34 . 5 C H4' H 4.403 . . 35 . 5 C H41 H 7.698 . . 36 . 5 C H42 H 6.339 . . 37 . 5 C H5 H 5.167 . . 38 . 5 C H5' H 4.437 . . 39 . 5 C H5'' H 4.046 . . 40 . 5 C H6 H 7.245 . . 41 . 6 G H1 H 11.890 . . 42 . 6 G H1' H 5.694 . . 43 . 6 G H21 H 8.074 . . 44 . 6 G H22 H 6.444 . . 45 . 6 G H3' H 4.566 . . 46 . 6 G H4' H 4.437 . . 47 . 6 G H5' H 4.072 . . 48 . 6 G H5'' H 4.470 . . 49 . 6 G H8 H 7.499 . . 50 . 7 A H1' H 5.863 . . 51 . 7 A H2 H 8.590 . . 52 . 7 A H3' H 4.736 . . 53 . 7 A H5' H 4.335 . . 54 . 7 A H5'' H 4.558 . . 55 . 7 A H8 H 8.213 . . 56 . 8 A H1' H 5.875 . . 57 . 8 A H2 H 7.535 . . 58 . 8 A H3' H 4.684 . . 59 . 8 A H4' H 4.683 . . 60 . 8 A H5' H 4.473 . . 61 . 8 A H8 H 8.137 . . 62 . 9 G H1 H 11.260 . . 63 . 9 G H1' H 6.289 . . 64 . 9 G H3' H 4.919 . . 65 . 9 G H4' H 4.725 . . 66 . 9 G H5' H 4.240 . . 67 . 9 G H5'' H 4.764 . . 68 . 9 G H8 H 8.027 . . 69 . 10 U H1' H 6.281 . . 70 . 10 U H2' H 4.572 . . 71 . 10 U H3' H 4.945 . . 72 . 10 U H4' H 4.743 . . 73 . 10 U H5 H 6.109 . . 74 . 10 U H5' H 4.384 . . 75 . 10 U H6 H 7.982 . . 76 . 11 G H1 H 11.232 . . 77 . 11 G H1' H 5.953 . . 78 . 11 G H3' H 4.584 . . 79 . 11 G H4' H 4.584 . . 80 . 11 G H5' H 4.566 . . 81 . 11 G H5'' H 4.210 . . 82 . 11 G H8 H 7.827 . . 83 . 16 G H1 H 10.382 . . 84 . 16 G H1' H 5.696 . . 85 . 16 G H21 H 6.001 . . 86 . 16 G H3' H 4.581 . . 87 . 16 G H8 H 7.512 . . 88 . 17 G H1 H 11.032 . . 89 . 17 G H1' H 5.108 . . 90 . 17 G H3' H 4.344 . . 91 . 17 G H4' H 4.304 . . 92 . 17 G H5' H 4.443 . . 93 . 17 G H5'' H 3.989 . . 94 . 17 G H8 H 7.254 . . 95 . 18 C H1' H 5.196 . . 96 . 18 C H3' H 4.273 . . 97 . 18 C H4' H 4.429 . . 98 . 18 C H42 H 5.631 . . 99 . 18 C H41 H 6.171 . . 100 . 18 C H5 H 5.086 . . 101 . 18 C H5' H 3.787 . . 102 . 18 C H5'' H 3.601 . . 103 . 18 C H6 H 6.974 . . 104 . 19 G H1 H 12.625 . . 105 . 19 G H1' H 5.624 . . 106 . 19 G H21 H 8.312 . . 107 . 19 G H22 H 6.892 . . 108 . 19 G H3' H 4.005 . . 109 . 19 G H4' H 4.408 . . 110 . 19 G H5' H 3.987 . . 111 . 19 G H5'' H 4.268 . . 112 . 19 G H8 H 7.215 . . 113 . 20 C H1' H 5.492 . . 114 . 20 C H3' H 4.243 . . 115 . 20 C H4' H 4.419 . . 116 . 20 C H41 H 6.847 . . 117 . 20 C H42 H 5.970 . . 118 . 20 C H5 H 5.150 . . 119 . 20 C H5' H 4.514 . . 120 . 20 C H5'' H 4.051 . . 121 . 20 C H6 H 7.478 . . 122 . 21 U H1' H 5.625 . . 123 . 21 U H2' H 6.626 . . 124 . 21 U H3 H 11.902 . . 125 . 21 U H3' H 4.522 . . 126 . 21 U H4' H 4.361 . . 127 . 21 U H5 H 5.706 . . 128 . 21 U H5' H 4.502 . . 129 . 21 U H5'' H 4.075 . . 130 . 21 U H6 H 7.757 . . 131 . 22 U H1' H 6.112 . . 132 . 22 U H3' H 4.011 . . 133 . 22 U H4' H 4.483 . . 134 . 22 U H5 H 5.856 . . 135 . 22 U H5' H 4.245 . . 136 . 22 U H5'' H 4.035 . . 137 . 22 U H6 H 8.021 . . 138 . 23 C H1' H 5.936 . . 139 . 23 C H3' H 4.475 . . 140 . 23 C H4' H 3.789 . . 141 . 23 C H5 H 6.121 . . 142 . 23 C H5' H 3.613 . . 143 . 23 C H5'' H 2.686 . . 144 . 23 C H6 H 7.695 . . 145 . 24 G H2' H 4.802 . . 146 . 24 G H1 H 9.840 . . 147 . 24 G H1' H 5.973 . . 148 . 24 G H3' H 5.604 . . 149 . 24 G H4' H 4.401 . . 150 . 24 G H5' H 4.178 . . 151 . 24 G H5'' H 4.375 . . 152 . 24 G H8 H 7.864 . . 153 . 25 G H1 H 13.295 . . 154 . 25 G H1' H 4.389 . . 155 . 25 G H21 H 8.478 . . 156 . 25 G H22 H 6.808 . . 157 . 25 G H3' H 4.172 . . 158 . 25 G H4' H 4.357 . . 159 . 25 G H5' H 4.219 . . 160 . 25 G H5'' H 4.423 . . 161 . 25 G H8 H 8.320 . . 162 . 26 C H1' H 5.923 . . 163 . 26 C H3' H 4.859 . . 164 . 26 C H4' H 4.407 . . 165 . 26 C H41 H 6.503 . . 166 . 26 C H42 H 8.190 . . 167 . 26 C H5 H 4.951 . . 168 . 26 C H5' H 4.054 . . 169 . 26 C H5'' H 4.545 . . 170 . 26 C H6 H 7.696 . . 171 . 27 G H1 H 10.960 . . 172 . 27 G H1' H 5.711 . . 173 . 27 G H21 H 6.190 . . 174 . 27 G H22 H 6.925 . . 175 . 27 G H3' H 4.584 . . 176 . 27 G H4' H 4.450 . . 177 . 27 G H5' H 4.065 . . 178 . 27 G H5'' H 4.529 . . 179 . 27 G H8 H 7.028 . . 180 . 28 U H1' H 5.338 . . 181 . 28 U H3 H 12.069 . . 182 . 28 U H3' H 4.337 . . 183 . 28 U H4' H 4.319 . . 184 . 28 U H5 H 4.352 . . 185 . 28 U H5' H 4.473 . . 186 . 28 U H6 H 7.476 . . 187 . 29 G H1 H 11.126 . . 188 . 29 G H1' H 6.009 . . 189 . 29 G H21 H 8.630 . . 190 . 29 G H22 H 6.547 . . 191 . 29 G H3' H 4.191 . . 192 . 29 G H4' H 4.444 . . 193 . 29 G H5' H 4.251 . . 194 . 29 G H5'' H 4.043 . . 195 . 29 G H8 H 7.843 . . 196 . 30 U H1' H 6.168 . . 197 . 30 U H3' H 5.029 . . 198 . 30 U H4' H 4.633 . . 199 . 30 U H5 H 6.044 . . 200 . 30 U H5' H 4.339 . . 201 . 30 U H5'' H 4.700 . . 202 . 30 U H6 H 8.009 . . 203 . 31 G H1 H 11.743 . . 204 . 31 G H1' H 5.996 . . 205 . 31 G H21 H 5.996 . . 206 . 31 G H22 H 8.583 . . 207 . 31 G H3' H 5.155 . . 208 . 31 G H4' H 3.993 . . 209 . 31 G H5' H 4.274 . . 210 . 31 G H8 H 7.115 . . 211 . 32 A H1' H 5.876 . . 212 . 32 A H2 H 6.360 . . 213 . 32 A H3' H 4.494 . . 214 . 32 A H4' H 4.272 . . 215 . 32 A H5' H 4.072 . . 216 . 32 A H8 H 8.254 . . 217 . 33 A H1' H 5.972 . . 218 . 33 A H2 H 6.912 . . 219 . 33 A H3' H 4.426 . . 220 . 33 A H4' H 4.505 . . 221 . 33 A H5' H 4.081 . . 222 . 33 A H5'' H 4.527 . . 223 . 33 A H61 H 9.260 . . 224 . 33 A H62 H 6.928 . . 225 . 33 A H8 H 7.873 . . 226 . 34 A H1' H 5.373 . . 227 . 34 A H2 H 7.363 . . 228 . 34 A H3' H 4.925 . . 229 . 34 A H61 H 6.730 . . 230 . 34 A H62 H 9.054 . . 231 . 34 A H8 H 7.436 . . 232 . 35 A H1' H 6.063 . . 233 . 35 A H2 H 7.970 . . 234 . 35 A H3' H 4.900 . . 235 . 35 A H4' H 4.692 . . 236 . 35 A H5' H 4.219 . . 237 . 35 A H5'' H 4.459 . . 238 . 35 A H8 H 7.423 . . 239 . 36 C H1' H 5.426 . . 240 . 36 C H3' H 4.571 . . 241 . 36 C H4' H 4.385 . . 242 . 36 C H41 H 6.246 . . 243 . 36 C H42 H 8.077 . . 244 . 36 C H5 H 5.556 . . 245 . 36 C H5' H 4.076 . . 246 . 36 C H5'' H 4.511 . . 247 . 36 C H6 H 7.535 . . 248 . 37 G H1 H 12.484 . . 249 . 37 G H1' H 5.659 . . 250 . 37 G H3' H 4.244 . . 251 . 37 G H4' H 4.564 . . 252 . 37 G H5' H 4.068 . . 253 . 37 G H5'' H 4.402 . . 254 . 37 G H8 H 7.214 . . 255 . 38 U H1' H 5.475 . . 256 . 38 U H3 H 14.048 . . 257 . 38 U H3' H 4.375 . . 258 . 38 U H4' H 4.359 . . 259 . 38 U H5 H 5.149 . . 260 . 38 U H5' H 4.092 . . 261 . 38 U H5'' H 4.508 . . 262 . 38 U H6 H 7.694 . . 263 . 39 C H1' H 5.545 . . 264 . 39 C H3' H 4.314 . . 265 . 39 C H4' H 4.441 . . 266 . 39 C H41 H 6.611 . . 267 . 39 C H42 H 7.993 . . 268 . 39 C H5 H 5.564 . . 269 . 39 C H5' H 4.082 . . 270 . 39 C H5'' H 4.455 . . 271 . 39 C H6 H 7.781 . . 272 . 40 U H1' H 5.571 . . 273 . 40 U H3 H 12.067 . . 274 . 40 U H3' H 4.557 . . 275 . 40 U H4' H 4.369 . . 276 . 40 U H5 H 5.652 . . 277 . 40 U H5' H 4.040 . . 278 . 40 U H5'' H 4.500 . . 279 . 40 U H6 H 7.929 . . 280 . 41 C H1' H 6.120 . . 281 . 41 C H3' H 5.014 . . 282 . 41 C H4' H 4.392 . . 283 . 41 C H41 H 8.216 . . 284 . 41 C H42 H 6.648 . . 285 . 41 C H5 H 5.672 . . 286 . 41 C H5' H 4.561 . . 287 . 41 C H5'' H 4.101 . . 288 . 41 C H6 H 7.614 . . stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GUANOSINE-5'-TRIPHOSPHATE _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 GTP HN1 H 10.767 . . 2 . 1 GTP H1' H 5.957 . . 3 . 1 GTP H3' H 4.552 . . 4 . 1 GTP H4' H 4.379 . . 5 . 1 GTP H5' H 4.612 . . 6 . 1 GTP H5'' H 4.342 . . 7 . 1 GTP H8 H 8.143 . . stop_ save_