################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50928 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RNA24 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 50928 1 2 '2D 1H-1H TOCSY' . . . 50928 1 3 '2D 1H-1H NOESY' . . . 50928 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50928 1 2 $software_2 . . 50928 1 3 $software_3 . . 50928 1 4 $software_4 . . 50928 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1 H 1 13.3084 0.0000 . 1 . . . . . 1 G H1 . 50928 1 2 . 1 . 1 1 1 G H1' H 1 5.8037 0.0000 . 1 . . . . . 1 G H1' . 50928 1 3 . 1 . 1 1 1 G H2' H 1 4.9334 0.0000 . 1 . . . . . 1 G H2' . 50928 1 4 . 1 . 1 1 1 G H3' H 1 4.7072 0.0000 . 1 . . . . . 1 G H3' . 50928 1 5 . 1 . 1 1 1 G H8 H 1 8.1331 0.0000 . 1 . . . . . 1 G H8 . 50928 1 6 . 1 . 1 1 1 G C8 C 13 139.2754 0.0000 . 1 . . . . . 1 G C8 . 50928 1 7 . 1 . 1 2 2 G H1 H 1 13.3102 0.0000 . 1 . . . . . 2 G H1 . 50928 1 8 . 1 . 1 2 2 G H1' H 1 5.9007 0.0000 . 1 . . . . . 2 G H1' . 50928 1 9 . 1 . 1 2 2 G H2' H 1 4.5543 0.0000 . 1 . . . . . 2 G H2' . 50928 1 10 . 1 . 1 2 2 G H3' H 1 4.5947 0.0000 . 1 . . . . . 2 G H3' . 50928 1 11 . 1 . 1 2 2 G H8 H 1 7.6352 0.0000 . 1 . . . . . 2 G H8 . 50928 1 12 . 1 . 1 2 2 G C8 C 13 136.9807 0.0000 . 1 . . . . . 2 G C8 . 50928 1 13 . 1 . 1 3 3 C H1' H 1 5.5288 0.0000 . 1 . . . . . 3 C H1' . 50928 1 14 . 1 . 1 3 3 C H2' H 1 4.4948 0.0000 . 1 . . . . . 3 C H2' . 50928 1 15 . 1 . 1 3 3 C H5 H 1 5.2861 0.0000 . 1 . . . . . 3 C H5 . 50928 1 16 . 1 . 1 3 3 C H6 H 1 7.6886 0.0000 . 1 . . . . . 3 C H6 . 50928 1 17 . 1 . 1 3 3 C H41 H 1 8.4880 0.0000 . 2 . . . . . 3 C H41 . 50928 1 18 . 1 . 1 3 3 C H42 H 1 6.8419 0.0000 . 2 . . . . . 3 C H42 . 50928 1 19 . 1 . 1 3 3 C C6 C 13 139.3489 0.0000 . 1 . . . . . 3 C C6 . 50928 1 20 . 1 . 1 4 4 A H1' H 1 5.9652 0.0000 . 1 . . . . . 4 A H1' . 50928 1 21 . 1 . 1 4 4 A H2 H 1 7.3426 0.0000 . 1 . . . . . 4 A H2 . 50928 1 22 . 1 . 1 4 4 A H2' H 1 4.5423 0.0000 . 1 . . . . . 4 A H2' . 50928 1 23 . 1 . 1 4 4 A H3' H 1 4.6218 0.0000 . 1 . . . . . 4 A H3' . 50928 1 24 . 1 . 1 4 4 A H8 H 1 8.0344 0.0000 . 1 . . . . . 4 A H8 . 50928 1 25 . 1 . 1 4 4 A H61 H 1 7.9310 0.0000 . 2 . . . . . 4 A H61 . 50928 1 26 . 1 . 1 4 4 A H62 H 1 6.4849 0.0000 . 2 . . . . . 4 A H62 . 50928 1 27 . 1 . 1 4 4 A C2 C 13 152.9480 0.0000 . 1 . . . . . 4 A C2 . 50928 1 28 . 1 . 1 4 4 A C8 C 13 139.9223 0.0000 . 1 . . . . . 4 A C8 . 50928 1 29 . 1 . 1 5 5 U H1' H 1 5.5130 0.0000 . 1 . . . . . 5 U H1' . 50928 1 30 . 1 . 1 5 5 U H2' H 1 4.3389 0.0000 . 1 . . . . . 5 U H2' . 50928 1 31 . 1 . 1 5 5 U H3 H 1 14.0146 0.0000 . 1 . . . . . 5 U H3 . 50928 1 32 . 1 . 1 5 5 U H3' H 1 4.4559 0.0000 . 1 . . . . . 5 U H3' . 50928 1 33 . 1 . 1 5 5 U H5 H 1 5.0509 0.0000 . 1 . . . . . 5 U H5 . 50928 1 34 . 1 . 1 5 5 U H6 H 1 7.6684 0.0000 . 1 . . . . . 5 U H6 . 50928 1 35 . 1 . 1 5 5 U C6 C 13 141.8188 0.0000 . 1 . . . . . 5 U C6 . 50928 1 36 . 1 . 1 6 6 U H1' H 1 5.6476 0.0000 . 1 . . . . . 6 U H1' . 50928 1 37 . 1 . 1 6 6 U H2' H 1 4.4743 0.0000 . 1 . . . . . 6 U H2' . 50928 1 38 . 1 . 1 6 6 U H3 H 1 13.7108 0.0000 . 1 . . . . . 6 U H3 . 50928 1 39 . 1 . 1 6 6 U H3' H 1 4.5264 0.0000 . 1 . . . . . 6 U H3' . 50928 1 40 . 1 . 1 6 6 U H5 H 1 5.5106 0.0000 . 1 . . . . . 6 U H5 . 50928 1 41 . 1 . 1 6 6 U H6 H 1 7.9711 0.0000 . 1 . . . . . 6 U H6 . 50928 1 42 . 1 . 1 6 6 U C6 C 13 142.5245 0.0000 . 1 . . . . . 6 U C6 . 50928 1 43 . 1 . 1 7 7 C H1' H 1 5.5090 0.0000 . 1 . . . . . 7 C H1' . 50928 1 44 . 1 . 1 7 7 C H2' H 1 4.3007 0.0000 . 1 . . . . . 7 C H2' . 50928 1 45 . 1 . 1 7 7 C H3' H 1 4.4658 0.0000 . 1 . . . . . 7 C H3' . 50928 1 46 . 1 . 1 7 7 C H5 H 1 5.6345 0.0000 . 1 . . . . . 7 C H5 . 50928 1 47 . 1 . 1 7 7 C H6 H 1 7.8568 0.0000 . 1 . . . . . 7 C H6 . 50928 1 48 . 1 . 1 7 7 C H41 H 1 8.3226 0.0000 . 2 . . . . . 7 C H41 . 50928 1 49 . 1 . 1 7 7 C H42 H 1 6.8770 0.0000 . 2 . . . . . 7 C H42 . 50928 1 50 . 1 . 1 7 7 C C6 C 13 141.7600 0.0000 . 1 . . . . . 7 C C6 . 50928 1 51 . 1 . 1 8 8 C H1' H 1 5.4266 0.0000 . 1 . . . . . 8 C H1' . 50928 1 52 . 1 . 1 8 8 C H2' H 1 4.2881 0.0000 . 1 . . . . . 8 C H2' . 50928 1 53 . 1 . 1 8 8 C H3' H 1 4.3873 0.0000 . 1 . . . . . 8 C H3' . 50928 1 54 . 1 . 1 8 8 C H5 H 1 5.4379 0.0000 . 1 . . . . . 8 C H5 . 50928 1 55 . 1 . 1 8 8 C H6 H 1 7.7444 0.0000 . 1 . . . . . 8 C H6 . 50928 1 56 . 1 . 1 8 8 C H41 H 1 8.3125 0.0000 . 2 . . . . . 8 C H41 . 50928 1 57 . 1 . 1 8 8 C H42 H 1 6.7862 0.0000 . 2 . . . . . 8 C H42 . 50928 1 58 . 1 . 1 8 8 C C6 C 13 141.5101 0.0000 . 1 . . . . . 8 C C6 . 50928 1 59 . 1 . 1 9 9 U H1' H 1 5.5844 0.0000 . 1 . . . . . 9 U H1' . 50928 1 60 . 1 . 1 9 9 U H2' H 1 4.4983 0.0000 . 1 . . . . . 9 U H2' . 50928 1 61 . 1 . 1 9 9 U H3 H 1 13.4082 0.0000 . 1 . . . . . 9 U H3 . 50928 1 62 . 1 . 1 9 9 U H3' H 1 4.5961 0.0000 . 1 . . . . . 9 U H3' . 50928 1 63 . 1 . 1 9 9 U H5 H 1 5.3433 0.0000 . 1 . . . . . 9 U H5 . 50928 1 64 . 1 . 1 9 9 U H6 H 1 7.7215 0.0000 . 1 . . . . . 9 U H6 . 50928 1 65 . 1 . 1 9 9 U C6 C 13 141.0249 0.0000 . 1 . . . . . 9 U C6 . 50928 1 66 . 1 . 1 10 10 G H1' H 1 5.6372 0.0000 . 1 . . . . . 10 G H1' . 50928 1 67 . 1 . 1 10 10 G H2' H 1 4.3931 0.0000 . 1 . . . . . 10 G H2' . 50928 1 68 . 1 . 1 10 10 G H3' H 1 4.6044 0.0000 . 1 . . . . . 10 G H3' . 50928 1 69 . 1 . 1 10 10 G H8 H 1 7.5233 0.0000 . 1 . . . . . 10 G H8 . 50928 1 70 . 1 . 1 10 10 G C8 C 13 137.8139 0.0000 . 1 . . . . . 10 G C8 . 50928 1 71 . 1 . 1 11 11 A H1' H 1 5.6910 0.0000 . 1 . . . . . 11 A H1' . 50928 1 72 . 1 . 1 11 11 A H2 H 1 7.9134 0.0000 . 1 . . . . . 11 A H2 . 50928 1 73 . 1 . 1 11 11 A H2' H 1 4.6674 0.0000 . 1 . . . . . 11 A H2' . 50928 1 74 . 1 . 1 11 11 A H3' H 1 4.4553 0.0000 . 1 . . . . . 11 A H3' . 50928 1 75 . 1 . 1 11 11 A H8 H 1 8.2266 0.0000 . 1 . . . . . 11 A H8 . 50928 1 76 . 1 . 1 11 11 A C2 C 13 154.5505 0.0000 . 1 . . . . . 11 A C2 . 50928 1 77 . 1 . 1 11 11 A C8 C 13 141.9217 0.0000 . 1 . . . . . 11 A C8 . 50928 1 78 . 1 . 1 12 12 G H1' H 1 5.1591 0.0000 . 1 . . . . . 12 G H1' . 50928 1 79 . 1 . 1 12 12 G H2' H 1 4.2377 0.0000 . 1 . . . . . 12 G H2' . 50928 1 80 . 1 . 1 12 12 G H3' H 1 4.4523 0.0000 . 1 . . . . . 12 G H3' . 50928 1 81 . 1 . 1 12 12 G H8 H 1 7.5047 0.0000 . 1 . . . . . 12 G H8 . 50928 1 82 . 1 . 1 12 12 G C8 C 13 137.7675 0.0000 . 1 . . . . . 12 G C8 . 50928 1 83 . 1 . 1 13 13 A H1' H 1 6.0636 0.0000 . 1 . . . . . 13 A H1' . 50928 1 84 . 1 . 1 13 13 A H2 H 1 8.1783 0.0000 . 1 . . . . . 13 A H2 . 50928 1 85 . 1 . 1 13 13 A H2' H 1 4.5862 0.0000 . 1 . . . . . 13 A H2' . 50928 1 86 . 1 . 1 13 13 A H3' H 1 4.9534 0.0000 . 1 . . . . . 13 A H3' . 50928 1 87 . 1 . 1 13 13 A H8 H 1 8.0610 0.0000 . 1 . . . . . 13 A H8 . 50928 1 88 . 1 . 1 13 13 A C2 C 13 155.5061 0.0000 . 1 . . . . . 13 A C2 . 50928 1 89 . 1 . 1 13 13 A C8 C 13 140.6721 0.0000 . 1 . . . . . 13 A C8 . 50928 1 90 . 1 . 1 14 14 A H1' H 1 4.5173 0.0000 . 1 . . . . . 14 A H1' . 50928 1 91 . 1 . 1 14 14 A H2 H 1 7.3990 0.0000 . 1 . . . . . 14 A H2 . 50928 1 92 . 1 . 1 14 14 A H2' H 1 4.5082 0.0000 . 1 . . . . . 14 A H2' . 50928 1 93 . 1 . 1 14 14 A H3' H 1 4.4389 0.0000 . 1 . . . . . 14 A H3' . 50928 1 94 . 1 . 1 14 14 A H8 H 1 8.2746 0.0000 . 1 . . . . . 14 A H8 . 50928 1 95 . 1 . 1 14 14 A C2 C 13 153.0656 0.0000 . 1 . . . . . 14 A C2 . 50928 1 96 . 1 . 1 14 14 A C8 C 13 140.7603 0.0000 . 1 . . . . . 14 A C8 . 50928 1 97 . 1 . 1 15 15 G H1 H 1 12.6350 0.0000 . 1 . . . . . 15 G H1 . 50928 1 98 . 1 . 1 15 15 G H1' H 1 5.6877 0.0000 . 1 . . . . . 15 G H1' . 50928 1 99 . 1 . 1 15 15 G H2' H 1 4.5812 0.0000 . 1 . . . . . 15 G H2' . 50928 1 100 . 1 . 1 15 15 G H3' H 1 4.4056 0.0000 . 1 . . . . . 15 G H3' . 50928 1 101 . 1 . 1 15 15 G H8 H 1 7.1774 0.0000 . 1 . . . . . 15 G H8 . 50928 1 102 . 1 . 1 15 15 G C8 C 13 135.9509 0.0000 . 1 . . . . . 15 G C8 . 50928 1 103 . 1 . 1 16 16 G H1 H 1 12.2189 0.0000 . 1 . . . . . 16 G H1 . 50928 1 104 . 1 . 1 16 16 G H1' H 1 5.6897 0.0000 . 1 . . . . . 16 G H1' . 50928 1 105 . 1 . 1 16 16 G H2' H 1 4.6610 0.0000 . 1 . . . . . 16 G H2' . 50928 1 106 . 1 . 1 16 16 G H3' H 1 4.5364 0.0000 . 1 . . . . . 16 G H3' . 50928 1 107 . 1 . 1 16 16 G H8 H 1 7.0829 0.0000 . 1 . . . . . 16 G H8 . 50928 1 108 . 1 . 1 16 16 G C8 C 13 136.0346 0.0000 . 1 . . . . . 16 G C8 . 50928 1 109 . 1 . 1 17 17 A H1' H 1 5.8948 0.0000 . 1 . . . . . 17 A H1' . 50928 1 110 . 1 . 1 17 17 A H2 H 1 7.1573 0.0000 . 1 . . . . . 17 A H2 . 50928 1 111 . 1 . 1 17 17 A H2' H 1 4.6659 0.0000 . 1 . . . . . 17 A H2' . 50928 1 112 . 1 . 1 17 17 A H8 H 1 7.6249 0.0000 . 1 . . . . . 17 A H8 . 50928 1 113 . 1 . 1 17 17 A C2 C 13 152.9333 0.0000 . 1 . . . . . 17 A C2 . 50928 1 114 . 1 . 1 17 17 A C8 C 13 139.5243 0.0000 . 1 . . . . . 17 A C8 . 50928 1 115 . 1 . 1 18 18 A H1' H 1 5.8699 0.0000 . 1 . . . . . 18 A H1' . 50928 1 116 . 1 . 1 18 18 A H2 H 1 7.7426 0.0000 . 1 . . . . . 18 A H2 . 50928 1 117 . 1 . 1 18 18 A H2' H 1 4.4458 0.0000 . 1 . . . . . 18 A H2' . 50928 1 118 . 1 . 1 18 18 A H3' H 1 4.5151 0.0000 . 1 . . . . . 18 A H3' . 50928 1 119 . 1 . 1 18 18 A H8 H 1 7.6917 0.0000 . 1 . . . . . 18 A H8 . 50928 1 120 . 1 . 1 18 18 A H61 H 1 7.9706 0.0000 . 2 . . . . . 18 A H61 . 50928 1 121 . 1 . 1 18 18 A H62 H 1 6.7372 0.0000 . 2 . . . . . 18 A H62 . 50928 1 122 . 1 . 1 18 18 A C2 C 13 153.6537 0.0000 . 1 . . . . . 18 A C2 . 50928 1 123 . 1 . 1 18 18 A C8 C 13 139.3606 0.0000 . 1 . . . . . 18 A C8 . 50928 1 124 . 1 . 1 19 19 U H1' H 1 5.4628 0.0000 . 1 . . . . . 19 U H1' . 50928 1 125 . 1 . 1 19 19 U H2' H 1 4.4843 0.0000 . 1 . . . . . 19 U H2' . 50928 1 126 . 1 . 1 19 19 U H3 H 1 13.4669 0.0000 . 1 . . . . . 19 U H3 . 50928 1 127 . 1 . 1 19 19 U H3' H 1 4.4337 0.0000 . 1 . . . . . 19 U H3' . 50928 1 128 . 1 . 1 19 19 U H5 H 1 5.0004 0.0000 . 1 . . . . . 19 U H5 . 50928 1 129 . 1 . 1 19 19 U H6 H 1 7.5304 0.0000 . 1 . . . . . 19 U H6 . 50928 1 130 . 1 . 1 19 19 U C6 C 13 136.6792 0.0000 . 1 . . . . . 19 U C6 . 50928 1 131 . 1 . 1 20 20 G H1 H 1 12.5585 0.0000 . 1 . . . . . 20 G H1 . 50928 1 132 . 1 . 1 20 20 G H1' H 1 5.8004 0.0000 . 1 . . . . . 20 G H1' . 50928 1 133 . 1 . 1 20 20 G H2' H 1 4.4887 0.0000 . 1 . . . . . 20 G H2' . 50928 1 134 . 1 . 1 20 20 G H3' H 1 4.5602 0.0000 . 1 . . . . . 20 G H3' . 50928 1 135 . 1 . 1 20 20 G H8 H 1 7.6853 0.0000 . 1 . . . . . 20 G H8 . 50928 1 136 . 1 . 1 20 20 G C8 C 13 136.4086 0.0000 . 1 . . . . . 20 G C8 . 50928 1 137 . 1 . 1 21 21 C H1' H 1 5.5004 0.0000 . 1 . . . . . 21 C H1' . 50928 1 138 . 1 . 1 21 21 C H5 H 1 5.2044 0.0000 . 1 . . . . . 21 C H5 . 50928 1 139 . 1 . 1 21 21 C H6 H 1 7.6621 0.0000 . 1 . . . . . 21 C H6 . 50928 1 140 . 1 . 1 21 21 C H41 H 1 8.5244 0.0000 . 2 . . . . . 21 C H41 . 50928 1 141 . 1 . 1 21 21 C H42 H 1 6.8300 0.0000 . 2 . . . . . 21 C H42 . 50928 1 142 . 1 . 1 21 21 C C6 C 13 141.7453 0.0000 . 1 . . . . . 21 C C6 . 50928 1 143 . 1 . 1 22 22 C H1' H 1 5.7439 0.0000 . 1 . . . . . 22 C H1' . 50928 1 144 . 1 . 1 22 22 C H2' H 1 3.9982 0.0000 . 1 . . . . . 22 C H2' . 50928 1 145 . 1 . 1 22 22 C H3' H 1 4.1621 0.0000 . 1 . . . . . 22 C H3' . 50928 1 146 . 1 . 1 22 22 C H5 H 1 5.4850 0.0000 . 1 . . . . . 22 C H5 . 50928 1 147 . 1 . 1 22 22 C H6 H 1 7.6576 0.0000 . 1 . . . . . 22 C H6 . 50928 1 148 . 1 . 1 22 22 C H41 H 1 8.3889 0.0000 . 2 . . . . . 22 C H41 . 50928 1 149 . 1 . 1 22 22 C H42 H 1 6.9533 0.0000 . 2 . . . . . 22 C H42 . 50928 1 150 . 1 . 1 22 22 C C6 C 13 141.8452 0.0000 . 1 . . . . . 22 C C6 . 50928 1 stop_ save_