################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27229 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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 HSQC' . . . 27229 1 2 '2D 1H-15N HSQC' . . . 27229 1 3 '2D 1H-1H NOESY' . . . 27229 1 4 '2D HNN COSY' . . . 27229 1 5 '3D HCN' . . . 27229 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 2 $SPARKY . . 27229 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 5.778 0.000 . 1 . . . . . 1 G H1' . 27229 1 2 . 1 . 1 1 1 G H8 H 1 8.087 0.000 . 1 . . . . . 1 G H8 . 27229 1 3 . 1 . 1 1 1 G C1' C 13 91.004 0.000 . 1 . . . . . 1 G C1' . 27229 1 4 . 1 . 1 1 1 G C8 C 13 139.033 0.000 . 1 . . . . . 1 G C8 . 27229 1 5 . 1 . 1 1 1 G N9 N 15 168.047 0.000 . 1 . . . . . 1 G N9 . 27229 1 6 . 1 . 1 2 2 G H1' H 1 5.881 0.000 . 1 . . . . . 2 G H1' . 27229 1 7 . 1 . 1 2 2 G H8 H 1 7.579 0.000 . 1 . . . . . 2 G H8 . 27229 1 8 . 1 . 1 2 2 G C1' C 13 92.854 0.000 . 1 . . . . . 2 G C1' . 27229 1 9 . 1 . 1 2 2 G C8 C 13 136.678 0.000 . 1 . . . . . 2 G C8 . 27229 1 10 . 1 . 1 2 2 G N9 N 15 169.415 0.000 . 1 . . . . . 2 G N9 . 27229 1 11 . 1 . 1 3 3 C H1' H 1 5.484 0.000 . 1 . . . . . 3 C H1' . 27229 1 12 . 1 . 1 3 3 C H5 H 1 5.224 0.000 . 1 . . . . . 3 C H5 . 27229 1 13 . 1 . 1 3 3 C H6 H 1 7.469 0.000 . 1 . . . . . 3 C H6 . 27229 1 14 . 1 . 1 3 3 C H41 H 1 8.206 0.000 . 1 . . . . . 3 C H41 . 27229 1 15 . 1 . 1 3 3 C H42 H 1 6.812 0.000 . 1 . . . . . 3 C H42 . 27229 1 16 . 1 . 1 3 3 C C1' C 13 93.851 0.000 . 1 . . . . . 3 C C1' . 27229 1 17 . 1 . 1 3 3 C C5 C 13 97.653 0.000 . 1 . . . . . 3 C C5 . 27229 1 18 . 1 . 1 3 3 C C6 C 13 140.326 0.000 . 1 . . . . . 3 C C6 . 27229 1 19 . 1 . 1 3 3 C N1 N 15 150.414 0.000 . 1 . . . . . 3 C N1 . 27229 1 20 . 1 . 1 3 3 C N4 N 15 97.932 0.006 . 1 . . . . . 3 C N4 . 27229 1 21 . 1 . 1 4 4 A H1' H 1 5.887 0.000 . 1 . . . . . 4 A H1' . 27229 1 22 . 1 . 1 4 4 A H2 H 1 7.206 0.000 . 1 . . . . . 4 A H2 . 27229 1 23 . 1 . 1 4 4 A H8 H 1 7.849 0.000 . 1 . . . . . 4 A H8 . 27229 1 24 . 1 . 1 4 4 A C1' C 13 93.060 0.000 . 1 . . . . . 4 A C1' . 27229 1 25 . 1 . 1 4 4 A C2 C 13 153.688 0.000 . 1 . . . . . 4 A C2 . 27229 1 26 . 1 . 1 4 4 A C8 C 13 139.411 0.000 . 1 . . . . . 4 A C8 . 27229 1 27 . 1 . 1 4 4 A N9 N 15 170.550 0.000 . 1 . . . . . 4 A N9 . 27229 1 28 . 1 . 1 5 5 U H1' H 1 5.249 0.000 . 1 . . . . . 5 U H1' . 27229 1 29 . 1 . 1 5 5 U H5 H 1 5.153 0.000 . 1 . . . . . 5 U H5 . 27229 1 30 . 1 . 1 5 5 U H6 H 1 7.220 0.000 . 1 . . . . . 5 U H6 . 27229 1 31 . 1 . 1 5 5 U C1' C 13 91.866 0.000 . 1 . . . . . 5 U C1' . 27229 1 32 . 1 . 1 5 5 U C5 C 13 103.816 0.000 . 1 . . . . . 5 U C5 . 27229 1 33 . 1 . 1 5 5 U C6 C 13 141.190 0.000 . 1 . . . . . 5 U C6 . 27229 1 34 . 1 . 1 5 5 U N1 N 15 144.528 0.000 . 1 . . . . . 5 U N1 . 27229 1 35 . 1 . 1 6 6 C H1' H 1 5.676 0.000 . 1 . . . . . 6 C H1' . 27229 1 36 . 1 . 1 6 6 C H5 H 1 5.691 0.000 . 1 . . . . . 6 C H5 . 27229 1 37 . 1 . 1 6 6 C H6 H 1 7.551 0.000 . 1 . . . . . 6 C H6 . 27229 1 38 . 1 . 1 6 6 C C1' C 13 91.947 0.000 . 1 . . . . . 6 C C1' . 27229 1 39 . 1 . 1 6 6 C C5 C 13 98.709 0.000 . 1 . . . . . 6 C C5 . 27229 1 40 . 1 . 1 6 6 C C6 C 13 143.125 0.000 . 1 . . . . . 6 C C6 . 27229 1 41 . 1 . 1 6 6 C N1 N 15 151.196 0.000 . 1 . . . . . 6 C N1 . 27229 1 42 . 1 . 1 7 7 A H1' H 1 5.785 0.000 . 1 . . . . . 7 A H1' . 27229 1 43 . 1 . 1 7 7 A H2 H 1 7.882 0.000 . 1 . . . . . 7 A H2 . 27229 1 44 . 1 . 1 7 7 A H8 H 1 8.145 0.000 . 1 . . . . . 7 A H8 . 27229 1 45 . 1 . 1 7 7 A C1' C 13 90.446 0.000 . 1 . . . . . 7 A C1' . 27229 1 46 . 1 . 1 7 7 A C2 C 13 154.847 0.000 . 1 . . . . . 7 A C2 . 27229 1 47 . 1 . 1 7 7 A C8 C 13 141.192 0.000 . 1 . . . . . 7 A C8 . 27229 1 48 . 1 . 1 7 7 A N9 N 15 168.912 0.000 . 1 . . . . . 7 A N9 . 27229 1 49 . 1 . 1 8 8 U H1' H 1 5.784 0.000 . 1 . . . . . 8 U H1' . 27229 1 50 . 1 . 1 8 8 U H6 H 1 7.760 0.000 . 1 . . . . . 8 U H6 . 27229 1 51 . 1 . 1 8 8 U C1' C 13 91.485 0.000 . 1 . . . . . 8 U C1' . 27229 1 52 . 1 . 1 8 8 U C6 C 13 143.170 0.000 . 1 . . . . . 8 U C6 . 27229 1 53 . 1 . 1 8 8 U N1 N 15 144.798 0.000 . 1 . . . . . 8 U N1 . 27229 1 54 . 1 . 1 9 9 C H1' H 1 5.492 0.000 . 1 . . . . . 9 C H1' . 27229 1 55 . 1 . 1 9 9 C H5 H 1 5.894 0.000 . 1 . . . . . 9 C H5 . 27229 1 56 . 1 . 1 9 9 C H6 H 1 7.986 0.000 . 1 . . . . . 9 C H6 . 27229 1 57 . 1 . 1 9 9 C H41 H 1 8.362 0.000 . 1 . . . . . 9 C H41 . 27229 1 58 . 1 . 1 9 9 C H42 H 1 7.056 0.000 . 1 . . . . . 9 C H42 . 27229 1 59 . 1 . 1 9 9 C C1' C 13 93.591 0.000 . 1 . . . . . 9 C C1' . 27229 1 60 . 1 . 1 9 9 C C5 C 13 98.627 0.000 . 1 . . . . . 9 C C5 . 27229 1 61 . 1 . 1 9 9 C C6 C 13 142.075 0.000 . 1 . . . . . 9 C C6 . 27229 1 62 . 1 . 1 9 9 C N1 N 15 151.572 0.000 . 1 . . . . . 9 C N1 . 27229 1 63 . 1 . 1 9 9 C N4 N 15 97.398 0.009 . 1 . . . . . 9 C N4 . 27229 1 64 . 1 . 1 10 10 A H1' H 1 5.953 0.000 . 1 . . . . . 10 A H1' . 27229 1 65 . 1 . 1 10 10 A H2 H 1 7.494 0.000 . 1 . . . . . 10 A H2 . 27229 1 66 . 1 . 1 10 10 A H8 H 1 8.178 0.000 . 1 . . . . . 10 A H8 . 27229 1 67 . 1 . 1 10 10 A C1' C 13 92.956 0.000 . 1 . . . . . 10 A C1' . 27229 1 68 . 1 . 1 10 10 A C2 C 13 153.368 0.000 . 1 . . . . . 10 A C2 . 27229 1 69 . 1 . 1 10 10 A C8 C 13 139.831 0.000 . 1 . . . . . 10 A C8 . 27229 1 70 . 1 . 1 10 10 A N9 N 15 170.912 0.000 . 1 . . . . . 10 A N9 . 27229 1 71 . 1 . 1 11 11 C H1' H 1 5.418 0.000 . 1 . . . . . 11 C H1' . 27229 1 72 . 1 . 1 11 11 C H6 H 1 7.536 0.000 . 1 . . . . . 11 C H6 . 27229 1 73 . 1 . 1 11 11 C C1' C 13 93.778 0.000 . 1 . . . . . 11 C C1' . 27229 1 74 . 1 . 1 11 11 C C6 C 13 140.777 0.000 . 1 . . . . . 11 C C6 . 27229 1 75 . 1 . 1 11 11 C N1 N 15 151.173 0.000 . 1 . . . . . 11 C N1 . 27229 1 76 . 1 . 1 12 12 U H1' H 1 5.515 0.000 . 1 . . . . . 12 U H1' . 27229 1 77 . 1 . 1 12 12 U H3 H 1 13.409 0.000 . 1 . . . . . 12 U H3 . 27229 1 78 . 1 . 1 12 12 U H5 H 1 5.334 0.000 . 1 . . . . . 12 U H5 . 27229 1 79 . 1 . 1 12 12 U H6 H 1 7.790 0.000 . 1 . . . . . 12 U H6 . 27229 1 80 . 1 . 1 12 12 U C1' C 13 93.451 0.000 . 1 . . . . . 12 U C1' . 27229 1 81 . 1 . 1 12 12 U C5 C 13 103.776 0.000 . 1 . . . . . 12 U C5 . 27229 1 82 . 1 . 1 12 12 U C6 C 13 141.561 0.000 . 1 . . . . . 12 U C6 . 27229 1 83 . 1 . 1 12 12 U N1 N 15 145.642 0.000 . 1 . . . . . 12 U N1 . 27229 1 84 . 1 . 1 12 12 U N3 N 15 161.982 0.000 . 1 . . . . . 12 U N3 . 27229 1 85 . 1 . 1 13 13 G H1 H 1 12.508 0.000 . 1 . . . . . 13 G H1 . 27229 1 86 . 1 . 1 13 13 G H1' H 1 5.792 0.000 . 1 . . . . . 13 G H1' . 27229 1 87 . 1 . 1 13 13 G H8 H 1 7.731 0.000 . 1 . . . . . 13 G H8 . 27229 1 88 . 1 . 1 13 13 G C1' C 13 92.509 0.000 . 1 . . . . . 13 G C1' . 27229 1 89 . 1 . 1 13 13 G C8 C 13 136.294 0.000 . 1 . . . . . 13 G C8 . 27229 1 90 . 1 . 1 13 13 G N1 N 15 147.515 0.000 . 1 . . . . . 13 G N1 . 27229 1 91 . 1 . 1 13 13 G N9 N 15 169.635 0.000 . 1 . . . . . 13 G N9 . 27229 1 92 . 1 . 1 14 14 C H1' H 1 5.418 0.000 . 1 . . . . . 14 C H1' . 27229 1 93 . 1 . 1 14 14 C H5 H 1 5.157 0.000 . 1 . . . . . 14 C H5 . 27229 1 94 . 1 . 1 14 14 C H6 H 1 7.411 0.000 . 1 . . . . . 14 C H6 . 27229 1 95 . 1 . 1 14 14 C C1' C 13 93.753 0.000 . 1 . . . . . 14 C C1' . 27229 1 96 . 1 . 1 14 14 C C5 C 13 97.251 0.000 . 1 . . . . . 14 C C5 . 27229 1 97 . 1 . 1 14 14 C C6 C 13 140.360 0.000 . 1 . . . . . 14 C C6 . 27229 1 98 . 1 . 1 14 14 C N1 N 15 151.171 0.000 . 1 . . . . . 14 C N1 . 27229 1 99 . 1 . 1 15 15 U H1' H 1 5.609 0.000 . 1 . . . . . 15 U H1' . 27229 1 100 . 1 . 1 15 15 U H6 H 1 7.701 0.000 . 1 . . . . . 15 U H6 . 27229 1 101 . 1 . 1 15 15 U C1' C 13 94.503 0.000 . 1 . . . . . 15 U C1' . 27229 1 102 . 1 . 1 15 15 U C6 C 13 140.564 0.000 . 1 . . . . . 15 U C6 . 27229 1 103 . 1 . 1 15 15 U N1 N 15 146.892 0.000 . 1 . . . . . 15 U N1 . 27229 1 104 . 1 . 1 16 16 U H1' H 1 6.069 0.000 . 1 . . . . . 16 U H1' . 27229 1 105 . 1 . 1 16 16 U H5 H 1 5.827 0.000 . 1 . . . . . 16 U H5 . 27229 1 106 . 1 . 1 16 16 U H6 H 1 7.974 0.000 . 1 . . . . . 16 U H6 . 27229 1 107 . 1 . 1 16 16 U C1' C 13 89.205 0.000 . 1 . . . . . 16 U C1' . 27229 1 108 . 1 . 1 16 16 U C5 C 13 105.461 0.000 . 1 . . . . . 16 U C5 . 27229 1 109 . 1 . 1 16 16 U C6 C 13 144.646 0.000 . 1 . . . . . 16 U C6 . 27229 1 110 . 1 . 1 16 16 U N1 N 15 143.900 0.000 . 1 . . . . . 16 U N1 . 27229 1 111 . 1 . 1 17 17 C H1' H 1 5.923 0.000 . 1 . . . . . 17 C H1' . 27229 1 112 . 1 . 1 17 17 C H5 H 1 6.093 0.000 . 1 . . . . . 17 C H5 . 27229 1 113 . 1 . 1 17 17 C H6 H 1 7.640 0.000 . 1 . . . . . 17 C H6 . 27229 1 114 . 1 . 1 17 17 C C1' C 13 89.067 0.000 . 1 . . . . . 17 C C1' . 27229 1 115 . 1 . 1 17 17 C C5 C 13 98.610 0.000 . 1 . . . . . 17 C C5 . 27229 1 116 . 1 . 1 17 17 C C6 C 13 142.745 0.000 . 1 . . . . . 17 C C6 . 27229 1 117 . 1 . 1 17 17 C N1 N 15 150.632 0.000 . 1 . . . . . 17 C N1 . 27229 1 118 . 1 . 1 18 18 G H1 H 1 9.846 0.000 . 1 . . . . . 18 G H1 . 27229 1 119 . 1 . 1 18 18 G H1' H 1 5.932 0.000 . 1 . . . . . 18 G H1' . 27229 1 120 . 1 . 1 18 18 G H8 H 1 7.820 0.000 . 1 . . . . . 18 G H8 . 27229 1 121 . 1 . 1 18 18 G C1' C 13 94.539 0.000 . 1 . . . . . 18 G C1' . 27229 1 122 . 1 . 1 18 18 G C8 C 13 142.879 0.000 . 1 . . . . . 18 G C8 . 27229 1 123 . 1 . 1 18 18 G N1 N 15 143.309 0.000 . 1 . . . . . 18 G N1 . 27229 1 124 . 1 . 1 18 18 G N9 N 15 171.685 0.000 . 1 . . . . . 18 G N9 . 27229 1 125 . 1 . 1 19 19 G H1 H 1 13.329 0.000 . 1 . . . . . 19 G H1 . 27229 1 126 . 1 . 1 19 19 G H1' H 1 4.402 0.000 . 1 . . . . . 19 G H1' . 27229 1 127 . 1 . 1 19 19 G H8 H 1 8.254 0.000 . 1 . . . . . 19 G H8 . 27229 1 128 . 1 . 1 19 19 G C1' C 13 93.232 0.000 . 1 . . . . . 19 G C1' . 27229 1 129 . 1 . 1 19 19 G C8 C 13 138.819 0.000 . 1 . . . . . 19 G C8 . 27229 1 130 . 1 . 1 19 19 G N1 N 15 148.254 0.000 . 1 . . . . . 19 G N1 . 27229 1 131 . 1 . 1 19 19 G N9 N 15 170.329 0.000 . 1 . . . . . 19 G N9 . 27229 1 132 . 1 . 1 20 20 C H1' H 1 5.469 0.000 . 1 . . . . . 20 C H1' . 27229 1 133 . 1 . 1 20 20 C H6 H 1 7.624 0.000 . 1 . . . . . 20 C H6 . 27229 1 134 . 1 . 1 20 20 C H41 H 1 8.557 0.000 . 1 . . . . . 20 C H41 . 27229 1 135 . 1 . 1 20 20 C H42 H 1 6.811 0.000 . 1 . . . . . 20 C H42 . 27229 1 136 . 1 . 1 20 20 C C1' C 13 93.883 0.000 . 1 . . . . . 20 C C1' . 27229 1 137 . 1 . 1 20 20 C C6 C 13 140.940 0.000 . 1 . . . . . 20 C C6 . 27229 1 138 . 1 . 1 20 20 C N1 N 15 151.089 0.000 . 1 . . . . . 20 C N1 . 27229 1 139 . 1 . 1 20 20 C N4 N 15 97.652 0.002 . 1 . . . . . 20 C N4 . 27229 1 140 . 1 . 1 21 21 A H1' H 1 5.933 0.000 . 1 . . . . . 21 A H1' . 27229 1 141 . 1 . 1 21 21 A H2 H 1 7.005 0.000 . 1 . . . . . 21 A H2 . 27229 1 142 . 1 . 1 21 21 A H8 H 1 7.960 0.000 . 1 . . . . . 21 A H8 . 27229 1 143 . 1 . 1 21 21 A C1' C 13 92.961 0.000 . 1 . . . . . 21 A C1' . 27229 1 144 . 1 . 1 21 21 A C2 C 13 152.373 0.000 . 1 . . . . . 21 A C2 . 27229 1 145 . 1 . 1 21 21 A C8 C 13 139.434 0.000 . 1 . . . . . 21 A C8 . 27229 1 146 . 1 . 1 21 21 A N9 N 15 170.585 0.000 . 1 . . . . . 21 A N9 . 27229 1 147 . 1 . 1 22 22 G H1 H 1 13.398 0.000 . 1 . . . . . 22 G H1 . 27229 1 148 . 1 . 1 22 22 G H1' H 1 5.533 0.000 . 1 . . . . . 22 G H1' . 27229 1 149 . 1 . 1 22 22 G H8 H 1 7.132 0.000 . 1 . . . . . 22 G H8 . 27229 1 150 . 1 . 1 22 22 G C1' C 13 92.912 0.000 . 1 . . . . . 22 G C1' . 27229 1 151 . 1 . 1 22 22 G C8 C 13 135.813 0.000 . 1 . . . . . 22 G C8 . 27229 1 152 . 1 . 1 22 22 G N1 N 15 148.154 0.000 . 1 . . . . . 22 G N1 . 27229 1 153 . 1 . 1 22 22 G N9 N 15 169.030 0.000 . 1 . . . . . 22 G N9 . 27229 1 154 . 1 . 1 23 23 U H1' H 1 5.506 0.000 . 1 . . . . . 23 U H1' . 27229 1 155 . 1 . 1 23 23 U H3 H 1 13.811 0.000 . 1 . . . . . 23 U H3 . 27229 1 156 . 1 . 1 23 23 U H5 H 1 5.033 0.000 . 1 . . . . . 23 U H5 . 27229 1 157 . 1 . 1 23 23 U H6 H 1 7.599 0.000 . 1 . . . . . 23 U H6 . 27229 1 158 . 1 . 1 23 23 U C1' C 13 93.545 0.000 . 1 . . . . . 23 U C1' . 27229 1 159 . 1 . 1 23 23 U C6 C 13 140.770 0.000 . 1 . . . . . 23 U C6 . 27229 1 160 . 1 . 1 23 23 U N1 N 15 145.561 0.000 . 1 . . . . . 23 U N1 . 27229 1 161 . 1 . 1 23 23 U N3 N 15 162.136 0.000 . 1 . . . . . 23 U N3 . 27229 1 162 . 1 . 1 24 24 G H1 H 1 12.298 0.000 . 1 . . . . . 24 G H1 . 27229 1 163 . 1 . 1 24 24 G H1' H 1 5.862 0.000 . 1 . . . . . 24 G H1' . 27229 1 164 . 1 . 1 24 24 G H8 H 1 7.668 0.000 . 1 . . . . . 24 G H8 . 27229 1 165 . 1 . 1 24 24 G C1' C 13 91.313 0.000 . 1 . . . . . 24 G C1' . 27229 1 166 . 1 . 1 24 24 G C8 C 13 136.669 0.000 . 1 . . . . . 24 G C8 . 27229 1 167 . 1 . 1 24 24 G N1 N 15 147.295 0.000 . 1 . . . . . 24 G N1 . 27229 1 168 . 1 . 1 24 24 G N9 N 15 168.516 0.000 . 1 . . . . . 24 G N9 . 27229 1 169 . 1 . 1 25 25 U H1' H 1 5.800 0.000 . 1 . . . . . 25 U H1' . 27229 1 170 . 1 . 1 25 25 U H5 H 1 5.562 0.000 . 1 . . . . . 25 U H5 . 27229 1 171 . 1 . 1 25 25 U H6 H 1 7.725 0.000 . 1 . . . . . 25 U H6 . 27229 1 172 . 1 . 1 25 25 U C1' C 13 91.993 0.000 . 1 . . . . . 25 U C1' . 27229 1 173 . 1 . 1 25 25 U C5 C 13 103.883 0.726 . 1 . . . . . 25 U C5 . 27229 1 174 . 1 . 1 25 25 U C6 C 13 142.425 0.000 . 1 . . . . . 25 U C6 . 27229 1 175 . 1 . 1 25 25 U N1 N 15 144.953 0.000 . 1 . . . . . 25 U N1 . 27229 1 176 . 1 . 1 26 26 G H1 H 1 12.530 0.000 . 1 . . . . . 26 G H1 . 27229 1 177 . 1 . 1 26 26 G H1' H 1 5.804 0.000 . 1 . . . . . 26 G H1' . 27229 1 178 . 1 . 1 26 26 G H8 H 1 7.999 0.000 . 1 . . . . . 26 G H8 . 27229 1 179 . 1 . 1 26 26 G C1' C 13 93.074 0.000 . 1 . . . . . 26 G C1' . 27229 1 180 . 1 . 1 26 26 G C8 C 13 138.067 0.000 . 1 . . . . . 26 G C8 . 27229 1 181 . 1 . 1 26 26 G N1 N 15 147.878 0.000 . 1 . . . . . 26 G N1 . 27229 1 182 . 1 . 1 26 26 G N9 N 15 169.235 0.000 . 1 . . . . . 26 G N9 . 27229 1 183 . 1 . 1 27 27 C H1' H 1 5.522 0.000 . 1 . . . . . 27 C H1' . 27229 1 184 . 1 . 1 27 27 C H5 H 1 5.246 0.000 . 1 . . . . . 27 C H5 . 27229 1 185 . 1 . 1 27 27 C H6 H 1 7.699 0.000 . 1 . . . . . 27 C H6 . 27229 1 186 . 1 . 1 27 27 C H41 H 1 8.312 0.000 . 1 . . . . . 27 C H41 . 27229 1 187 . 1 . 1 27 27 C H42 H 1 6.957 0.000 . 1 . . . . . 27 C H42 . 27229 1 188 . 1 . 1 27 27 C C1' C 13 94.243 0.000 . 1 . . . . . 27 C C1' . 27229 1 189 . 1 . 1 27 27 C C5 C 13 96.970 0.000 . 1 . . . . . 27 C C5 . 27229 1 190 . 1 . 1 27 27 C C6 C 13 141.458 0.000 . 1 . . . . . 27 C C6 . 27229 1 191 . 1 . 1 27 27 C N1 N 15 151.606 0.000 . 1 . . . . . 27 C N1 . 27229 1 192 . 1 . 1 27 27 C N4 N 15 98.559 0.000 . 1 . . . . . 27 C N4 . 27229 1 193 . 1 . 1 28 28 C H1' H 1 5.743 0.000 . 1 . . . . . 28 C H1' . 27229 1 194 . 1 . 1 28 28 C H5 H 1 5.529 0.000 . 1 . . . . . 28 C H5 . 27229 1 195 . 1 . 1 28 28 C H6 H 1 7.642 0.000 . 1 . . . . . 28 C H6 . 27229 1 196 . 1 . 1 28 28 C H41 H 1 8.339 0.000 . 1 . . . . . 28 C H41 . 27229 1 197 . 1 . 1 28 28 C H42 H 1 7.001 0.000 . 1 . . . . . 28 C H42 . 27229 1 198 . 1 . 1 28 28 C C1' C 13 92.972 0.000 . 1 . . . . . 28 C C1' . 27229 1 199 . 1 . 1 28 28 C C5 C 13 98.387 0.000 . 1 . . . . . 28 C C5 . 27229 1 200 . 1 . 1 28 28 C C6 C 13 141.669 0.000 . 1 . . . . . 28 C C6 . 27229 1 201 . 1 . 1 28 28 C N1 N 15 152.614 0.000 . 1 . . . . . 28 C N1 . 27229 1 202 . 1 . 1 28 28 C N4 N 15 97.475 0.010 . 1 . . . . . 28 C N4 . 27229 1 stop_ save_