################################### # 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 34777 _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 $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-15N HSQC' . . . 34777 1 2 '2D 1H-1H NOESY' . . . 34777 1 3 '2D 1H-13C HSQC aromatic' . . . 34777 1 4 '2D 1H-13C HSQC aliphatic' . . . 34777 1 5 '2D 1H-13C HSQC aliphatic' . . . 34777 1 6 '2D 1H-15N HSQC NH2 only' . . . 34777 1 7 'H56C56(C4N3)H optimized for H56' . . . 34777 1 8 'H56C56(C4N3)H optimized for C56' . . . 34777 1 9 'H(C)N aromatic' . . . 34777 1 10 'H(C)N aliphatic' . . . 34777 1 11 H(C)P-CCH-TOCSY . . . 34777 1 12 H(N)CO . . . 34777 1 13 '3D HCCH-COSY' . . . 34777 1 14 '3D HCCH-TOCSY' . . . 34777 1 15 HCC-TOCSY-CCH-E.COSY . . . 34777 1 16 '3D 1H-13C NOESY aromatic' . . . 34777 1 17 '3D 1H-13C NOESY aliphatic' . . . 34777 1 18 '3D 1H-13C NOESY aromatic' . . . 34777 1 19 '3D 1H-13C NOESY aliphatic' . . . 34777 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 12.921 0.020 . 1 . . . . A 1 G H1 . 34777 1 2 . 1 . 1 2 2 G H1 H 1 13.391 0.020 . 1 . . . . A 2 G H1 . 34777 1 3 . 1 . 1 3 3 C H41 H 1 6.844 0.020 . 1 . . . . A 3 C H41 . 34777 1 4 . 1 . 1 4 4 G H1 H 1 13.001 0.020 . 1 . . . . A 4 G H1 . 34777 1 5 . 1 . 1 5 5 U H1' H 1 5.555 0.020 . 1 . . . . A 5 U H1' . 34777 1 6 . 1 . 1 5 5 U H2' H 1 4.547 0.020 . 1 . . . . A 5 U H2' . 34777 1 7 . 1 . 1 5 5 U H3 H 1 14.547 0.020 . 1 . . . . A 5 U H3 . 34777 1 8 . 1 . 1 5 5 U H3' H 1 4.272 0.020 . 1 . . . . A 5 U H3' . 34777 1 9 . 1 . 1 5 5 U H4' H 1 4.479 0.020 . 1 . . . . A 5 U H4' . 34777 1 10 . 1 . 1 5 5 U H5 H 1 5.182 0.020 . 2 . . . . A 5 U H5 . 34777 1 11 . 1 . 1 5 5 U H5' H 1 4.492 0.020 . 2 . . . . A 5 U H5' . 34777 1 12 . 1 . 1 5 5 U H5'' H 1 4.062 0.020 . 2 . . . . A 5 U H5'' . 34777 1 13 . 1 . 1 5 5 U H6 H 1 7.508 0.020 . 1 . . . . A 5 U H6 . 34777 1 14 . 1 . 1 5 5 U C1' C 13 93.430 0.3 . 1 . . . . A 5 U C1' . 34777 1 15 . 1 . 1 5 5 U C2 C 13 152.738 0.3 . 1 . . . . A 5 U C2 . 34777 1 16 . 1 . 1 5 5 U C2' C 13 75.274 0.3 . 1 . . . . A 5 U C2' . 34777 1 17 . 1 . 1 5 5 U C3' C 13 72.021 0.3 . 1 . . . . A 5 U C3' . 34777 1 18 . 1 . 1 5 5 U C4 C 13 168.905 0.3 . 1 . . . . A 5 U C4 . 34777 1 19 . 1 . 1 5 5 U C4' C 13 81.876 0.3 . 1 . . . . A 5 U C4' . 34777 1 20 . 1 . 1 5 5 U C5 C 13 102.972 0.3 . 1 . . . . A 5 U C5 . 34777 1 21 . 1 . 1 5 5 U C5' C 13 64.417 0.3 . 1 . . . . A 5 U C5' . 34777 1 22 . 1 . 1 5 5 U C6 C 13 140.780 0.3 . 1 . . . . A 5 U C6 . 34777 1 23 . 1 . 1 5 5 U N1 N 15 146.214 0.3 . 1 . . . . A 5 U N1 . 34777 1 24 . 1 . 1 5 5 U N3 N 15 162.995 0.3 . 1 . . . . A 5 U N3 . 34777 1 25 . 1 . 1 5 5 U P P 31 -1.232 0.3 . 1 . . . . A 5 U P . 34777 1 26 . 1 . 1 5 5 U HO2' H 1 7.151 0.020 . 1 . . . . A 5 U HO2' . 34777 1 27 . 1 . 1 6 6 U H1' H 1 5.290 0.020 . 1 . . . . A 6 U H1' . 34777 1 28 . 1 . 1 6 6 U H2' H 1 4.173 0.020 . 1 . . . . A 6 U H2' . 34777 1 29 . 1 . 1 6 6 U H3 H 1 11.213 0.020 . 1 . . . . A 6 U H3 . 34777 1 30 . 1 . 1 6 6 U H3' H 1 4.455 0.020 . 1 . . . . A 6 U H3' . 34777 1 31 . 1 . 1 6 6 U H4' H 1 4.445 0.020 . 1 . . . . A 6 U H4' . 34777 1 32 . 1 . 1 6 6 U H5 H 1 5.710 0.020 . 2 . . . . A 6 U H5 . 34777 1 33 . 1 . 1 6 6 U H5' H 1 4.494 0.020 . 2 . . . . A 6 U H5' . 34777 1 34 . 1 . 1 6 6 U H5'' H 1 4.067 0.020 . 2 . . . . A 6 U H5'' . 34777 1 35 . 1 . 1 6 6 U H6 H 1 7.786 0.020 . 1 . . . . A 6 U H6 . 34777 1 36 . 1 . 1 6 6 U C1' C 13 94.114 0.3 . 1 . . . . A 6 U C1' . 34777 1 37 . 1 . 1 6 6 U C2 C 13 154.042 0.3 . 1 . . . . A 6 U C2 . 34777 1 38 . 1 . 1 6 6 U C2' C 13 75.263 0.3 . 1 . . . . A 6 U C2' . 34777 1 39 . 1 . 1 6 6 U C3' C 13 71.707 0.3 . 1 . . . . A 6 U C3' . 34777 1 40 . 1 . 1 6 6 U C4 C 13 166.997 0.3 . 1 . . . . A 6 U C4 . 34777 1 41 . 1 . 1 6 6 U C4' C 13 82.369 0.3 . 1 . . . . A 6 U C4' . 34777 1 42 . 1 . 1 6 6 U C5 C 13 104.561 0.3 . 1 . . . . A 6 U C5 . 34777 1 43 . 1 . 1 6 6 U C5' C 13 64.235 0.3 . 1 . . . . A 6 U C5' . 34777 1 44 . 1 . 1 6 6 U C6 C 13 140.941 0.3 . 1 . . . . A 6 U C6 . 34777 1 45 . 1 . 1 6 6 U N1 N 15 146.031 0.3 . 1 . . . . A 6 U N1 . 34777 1 46 . 1 . 1 6 6 U N3 N 15 157.626 0.3 . 1 . . . . A 6 U N3 . 34777 1 47 . 1 . 1 6 6 U P P 31 -1.156 0.3 . 1 . . . . A 6 U P . 34777 1 48 . 1 . 1 6 6 U HO2' H 1 6.887 0.020 . 1 . . . . A 6 U HO2' . 34777 1 49 . 1 . 1 7 7 U H1' H 1 5.343 0.020 . 1 . . . . A 7 U H1' . 34777 1 50 . 1 . 1 7 7 U H2' H 1 4.174 0.020 . 1 . . . . A 7 U H2' . 34777 1 51 . 1 . 1 7 7 U H3 H 1 11.478 0.020 . 1 . . . . A 7 U H3 . 34777 1 52 . 1 . 1 7 7 U H3' H 1 4.478 0.020 . 1 . . . . A 7 U H3' . 34777 1 53 . 1 . 1 7 7 U H4' H 1 4.399 0.020 . 1 . . . . A 7 U H4' . 34777 1 54 . 1 . 1 7 7 U H5 H 1 5.705 0.020 . 2 . . . . A 7 U H5 . 34777 1 55 . 1 . 1 7 7 U H5' H 1 4.501 0.020 . 2 . . . . A 7 U H5' . 34777 1 56 . 1 . 1 7 7 U H5'' H 1 4.065 0.020 . 2 . . . . A 7 U H5'' . 34777 1 57 . 1 . 1 7 7 U H6 H 1 7.963 0.020 . 1 . . . . A 7 U H6 . 34777 1 58 . 1 . 1 7 7 U C1' C 13 93.546 0.3 . 1 . . . . A 7 U C1' . 34777 1 59 . 1 . 1 7 7 U C2 C 13 153.340 0.3 . 1 . . . . A 7 U C2 . 34777 1 60 . 1 . 1 7 7 U C2' C 13 75.289 0.3 . 1 . . . . A 7 U C2' . 34777 1 61 . 1 . 1 7 7 U C3' C 13 71.902 0.3 . 1 . . . . A 7 U C3' . 34777 1 62 . 1 . 1 7 7 U C4 C 13 168.093 0.3 . 1 . . . . A 7 U C4 . 34777 1 63 . 1 . 1 7 7 U C4' C 13 82.023 0.3 . 1 . . . . A 7 U C4' . 34777 1 64 . 1 . 1 7 7 U C5 C 13 103.282 0.3 . 1 . . . . A 7 U C5 . 34777 1 65 . 1 . 1 7 7 U C5' C 13 64.260 0.3 . 1 . . . . A 7 U C5' . 34777 1 66 . 1 . 1 7 7 U C6 C 13 142.905 0.3 . 1 . . . . A 7 U C6 . 34777 1 67 . 1 . 1 7 7 U N1 N 15 147.765 0.3 . 1 . . . . A 7 U N1 . 34777 1 68 . 1 . 1 7 7 U N3 N 15 157.494 0.3 . 1 . . . . A 7 U N3 . 34777 1 69 . 1 . 1 7 7 U P P 31 -1.549 0.3 . 1 . . . . A 7 U P . 34777 1 70 . 1 . 1 7 7 U HO2' H 1 7.214 0.020 . 1 . . . . A 7 U HO2' . 34777 1 71 . 1 . 1 8 8 U H1' H 1 5.601 0.020 . 1 . . . . A 8 U H1' . 34777 1 72 . 1 . 1 8 8 U H2' H 1 4.366 0.020 . 1 . . . . A 8 U H2' . 34777 1 73 . 1 . 1 8 8 U H3 H 1 10.722 0.020 . 1 . . . . A 8 U H3 . 34777 1 74 . 1 . 1 8 8 U H3' H 1 4.472 0.020 . 1 . . . . A 8 U H3' . 34777 1 75 . 1 . 1 8 8 U H4' H 1 4.380 0.020 . 1 . . . . A 8 U H4' . 34777 1 76 . 1 . 1 8 8 U H5 H 1 5.651 0.020 . 2 . . . . A 8 U H5 . 34777 1 77 . 1 . 1 8 8 U H5' H 1 4.509 0.020 . 2 . . . . A 8 U H5' . 34777 1 78 . 1 . 1 8 8 U H5'' H 1 4.082 0.020 . 2 . . . . A 8 U H5'' . 34777 1 79 . 1 . 1 8 8 U H6 H 1 7.836 0.020 . 1 . . . . A 8 U H6 . 34777 1 80 . 1 . 1 8 8 U C1' C 13 94.154 0.3 . 1 . . . . A 8 U C1' . 34777 1 81 . 1 . 1 8 8 U C2 C 13 152.496 0.3 . 1 . . . . A 8 U C2 . 34777 1 82 . 1 . 1 8 8 U C2' C 13 74.739 0.3 . 1 . . . . A 8 U C2' . 34777 1 83 . 1 . 1 8 8 U C3' C 13 71.915 0.3 . 1 . . . . A 8 U C3' . 34777 1 84 . 1 . 1 8 8 U C4 C 13 169.116 0.3 . 1 . . . . A 8 U C4 . 34777 1 85 . 1 . 1 8 8 U C4' C 13 82.105 0.3 . 1 . . . . A 8 U C4' . 34777 1 86 . 1 . 1 8 8 U C5 C 13 102.867 0.3 . 1 . . . . A 8 U C5 . 34777 1 87 . 1 . 1 8 8 U C5' C 13 64.155 0.3 . 1 . . . . A 8 U C5' . 34777 1 88 . 1 . 1 8 8 U C6 C 13 143.106 0.3 . 1 . . . . A 8 U C6 . 34777 1 89 . 1 . 1 8 8 U N1 N 15 148.810 0.3 . 1 . . . . A 8 U N1 . 34777 1 90 . 1 . 1 8 8 U N3 N 15 157.120 0.3 . 1 . . . . A 8 U N3 . 34777 1 91 . 1 . 1 8 8 U P P 31 -1.193 0.3 . 1 . . . . A 8 U P . 34777 1 92 . 1 . 1 8 8 U HO2' H 1 6.830 0.020 . 1 . . . . A 8 U HO2' . 34777 1 93 . 1 . 1 9 9 C H5 H 1 5.926 0.020 . 1 . . . . A 9 C H5 . 34777 1 94 . 1 . 1 9 9 C H6 H 1 8.060 0.020 . 1 . . . . A 9 C H6 . 34777 1 95 . 1 . 1 9 9 C H41 H 1 7.365 0.020 . 1 . . . . A 9 C H41 . 34777 1 96 . 1 . 1 9 9 C H42 H 1 8.446 0.020 . 1 . . . . A 9 C H42 . 34777 1 97 . 1 . 1 10 10 G H1 H 1 12.769 0.020 . 1 . . . . A 10 G H1 . 34777 1 98 . 1 . 1 11 11 C H41 H 1 7.009 0.020 . 1 . . . . A 11 C H41 . 34777 1 99 . 1 . 1 11 11 C H42 H 1 8.616 0.020 . 1 . . . . A 11 C H42 . 34777 1 100 . 1 . 1 12 12 U H1' H 1 5.662 0.020 . 1 . . . . A 12 U H1' . 34777 1 101 . 1 . 1 12 12 U H2' H 1 3.794 0.020 . 1 . . . . A 12 U H2' . 34777 1 102 . 1 . 1 12 12 U H3 H 1 11.783 0.020 . 1 . . . . A 12 U H3 . 34777 1 103 . 1 . 1 12 12 U H3' H 1 4.551 0.020 . 1 . . . . A 12 U H3' . 34777 1 104 . 1 . 1 12 12 U H4' H 1 4.379 0.020 . 1 . . . . A 12 U H4' . 34777 1 105 . 1 . 1 12 12 U H5 H 1 5.766 0.020 . 2 . . . . A 12 U H5 . 34777 1 106 . 1 . 1 12 12 U H5' H 1 4.490 0.020 . 2 . . . . A 12 U H5' . 34777 1 107 . 1 . 1 12 12 U H5'' H 1 4.086 0.020 . 2 . . . . A 12 U H5'' . 34777 1 108 . 1 . 1 12 12 U H6 H 1 7.784 0.020 . 1 . . . . A 12 U H6 . 34777 1 109 . 1 . 1 12 12 U C1' C 13 94.381 0.3 . 1 . . . . A 12 U C1' . 34777 1 110 . 1 . 1 12 12 U C2 C 13 153.021 0.3 . 1 . . . . A 12 U C2 . 34777 1 111 . 1 . 1 12 12 U C2' C 13 75.819 0.3 . 1 . . . . A 12 U C2' . 34777 1 112 . 1 . 1 12 12 U C3' C 13 72.933 0.3 . 1 . . . . A 12 U C3' . 34777 1 113 . 1 . 1 12 12 U C4 C 13 167.947 0.3 . 1 . . . . A 12 U C4 . 34777 1 114 . 1 . 1 12 12 U C4' C 13 82.029 0.3 . 1 . . . . A 12 U C4' . 34777 1 115 . 1 . 1 12 12 U C5 C 13 104.774 0.3 . 1 . . . . A 12 U C5 . 34777 1 116 . 1 . 1 12 12 U C5' C 13 63.831 0.3 . 1 . . . . A 12 U C5' . 34777 1 117 . 1 . 1 12 12 U C6 C 13 140.429 0.3 . 1 . . . . A 12 U C6 . 34777 1 118 . 1 . 1 12 12 U N1 N 15 146.867 0.3 . 1 . . . . A 12 U N1 . 34777 1 119 . 1 . 1 12 12 U N3 N 15 159.928 0.3 . 1 . . . . A 12 U N3 . 34777 1 120 . 1 . 1 12 12 U P P 31 -1.266 0.3 . 1 . . . . A 12 U P . 34777 1 121 . 1 . 1 12 12 U HO2' H 1 6.670 0.020 . 1 . . . . A 12 U HO2' . 34777 1 122 . 1 . 1 13 13 U H1' H 1 6.109 0.020 . 1 . . . . A 13 U H1' . 34777 1 123 . 1 . 1 13 13 U H2' H 1 4.677 0.020 . 1 . . . . A 13 U H2' . 34777 1 124 . 1 . 1 13 13 U H3' H 1 4.014 0.020 . 1 . . . . A 13 U H3' . 34777 1 125 . 1 . 1 13 13 U H4' H 1 4.488 0.020 . 1 . . . . A 13 U H4' . 34777 1 126 . 1 . 1 13 13 U H5 H 1 5.865 0.020 . 2 . . . . A 13 U H5 . 34777 1 127 . 1 . 1 13 13 U H5' H 1 4.254 0.020 . 2 . . . . A 13 U H5' . 34777 1 128 . 1 . 1 13 13 U H5'' H 1 4.045 0.020 . 2 . . . . A 13 U H5'' . 34777 1 129 . 1 . 1 13 13 U H6 H 1 8.024 0.020 . 1 . . . . A 13 U H6 . 34777 1 130 . 1 . 1 13 13 U C1' C 13 88.914 0.3 . 1 . . . . A 13 U C1' . 34777 1 131 . 1 . 1 13 13 U C2 C 13 154.934 0.3 . 1 . . . . A 13 U C2 . 34777 1 132 . 1 . 1 13 13 U C2' C 13 74.487 0.3 . 1 . . . . A 13 U C2' . 34777 1 133 . 1 . 1 13 13 U C3' C 13 77.580 0.3 . 1 . . . . A 13 U C3' . 34777 1 134 . 1 . 1 13 13 U C4 C 13 168.830 0.3 . 1 . . . . A 13 U C4 . 34777 1 135 . 1 . 1 13 13 U C4' C 13 86.762 0.3 . 1 . . . . A 13 U C4' . 34777 1 136 . 1 . 1 13 13 U C5 C 13 105.279 0.3 . 1 . . . . A 13 U C5 . 34777 1 137 . 1 . 1 13 13 U C5' C 13 67.662 0.3 . 1 . . . . A 13 U C5' . 34777 1 138 . 1 . 1 13 13 U C6 C 13 144.464 0.3 . 1 . . . . A 13 U C6 . 34777 1 139 . 1 . 1 13 13 U N1 N 15 143.752 0.3 . 1 . . . . A 13 U N1 . 34777 1 140 . 1 . 1 13 13 U N3 N 15 158.195 0.3 . 1 . . . . A 13 U N3 . 34777 1 141 . 1 . 1 13 13 U P P 31 -0.528 0.3 . 1 . . . . A 13 U P . 34777 1 142 . 1 . 1 13 13 U HO2' H 1 6.673 0.020 . 1 . . . . A 13 U HO2' . 34777 1 143 . 1 . 1 15 15 G H1 H 1 9.909 0.020 . 1 . . . . A 15 G H1 . 34777 1 144 . 1 . 1 16 16 G H1 H 1 13.444 0.020 . 1 . . . . A 16 G H1 . 34777 1 145 . 1 . 1 17 17 C H41 H 1 6.801 0.020 . 1 . . . . A 17 C H41 . 34777 1 146 . 1 . 1 17 17 C H42 H 1 8.600 0.020 . 1 . . . . A 17 C H42 . 34777 1 147 . 1 . 1 18 18 G H1 H 1 13.130 0.020 . 1 . . . . A 18 G H1 . 34777 1 148 . 1 . 1 18 18 G H2' H 1 4.664 0.020 . 1 . . . . A 18 G H2' . 34777 1 149 . 1 . 1 18 18 G H8 H 1 7.707 0.020 . 1 . . . . A 18 G H8 . 34777 1 150 . 1 . 1 18 18 G H21 H 1 5.966 0.020 . 1 . . . . A 18 G H21 . 34777 1 151 . 1 . 1 18 18 G H22 H 1 8.596 0.020 . 1 . . . . A 18 G H22 . 34777 1 152 . 1 . 1 19 19 U H1' H 1 5.468 0.020 . 1 . . . . A 19 U H1' . 34777 1 153 . 1 . 1 19 19 U H2' H 1 4.358 0.020 . 1 . . . . A 19 U H2' . 34777 1 154 . 1 . 1 19 19 U H3 H 1 11.406 0.020 . 1 . . . . A 19 U H3 . 34777 1 155 . 1 . 1 19 19 U H3' H 1 4.407 0.020 . 1 . . . . A 19 U H3' . 34777 1 156 . 1 . 1 19 19 U H4' H 1 4.415 0.020 . 1 . . . . A 19 U H4' . 34777 1 157 . 1 . 1 19 19 U H5 H 1 5.314 0.020 . 2 . . . . A 19 U H5 . 34777 1 158 . 1 . 1 19 19 U H5' H 1 4.503 0.020 . 2 . . . . A 19 U H5' . 34777 1 159 . 1 . 1 19 19 U H5'' H 1 4.078 0.020 . 2 . . . . A 19 U H5'' . 34777 1 160 . 1 . 1 19 19 U H6 H 1 7.559 0.020 . 1 . . . . A 19 U H6 . 34777 1 161 . 1 . 1 19 19 U C1' C 13 93.627 0.3 . 1 . . . . A 19 U C1' . 34777 1 162 . 1 . 1 19 19 U C2 C 13 154.145 0.3 . 1 . . . . A 19 U C2 . 34777 1 163 . 1 . 1 19 19 U C2' C 13 74.993 0.3 . 1 . . . . A 19 U C2' . 34777 1 164 . 1 . 1 19 19 U C3' C 13 71.575 0.3 . 1 . . . . A 19 U C3' . 34777 1 165 . 1 . 1 19 19 U C4 C 13 166.441 0.3 . 1 . . . . A 19 U C4 . 34777 1 166 . 1 . 1 19 19 U C4' C 13 82.063 0.3 . 1 . . . . A 19 U C4' . 34777 1 167 . 1 . 1 19 19 U C5 C 13 103.547 0.3 . 1 . . . . A 19 U C5 . 34777 1 168 . 1 . 1 19 19 U C5' C 13 64.171 0.3 . 1 . . . . A 19 U C5' . 34777 1 169 . 1 . 1 19 19 U C6 C 13 140.151 0.3 . 1 . . . . A 19 U C6 . 34777 1 170 . 1 . 1 19 19 U N1 N 15 145.775 0.3 . 1 . . . . A 19 U N1 . 34777 1 171 . 1 . 1 19 19 U N3 N 15 158.410 0.3 . 1 . . . . A 19 U N3 . 34777 1 172 . 1 . 1 19 19 U P P 31 -1.597 0.3 . 1 . . . . A 19 U P . 34777 1 173 . 1 . 1 19 19 U HO2' H 1 6.859 0.020 . 1 . . . . A 19 U HO2' . 34777 1 174 . 1 . 1 20 20 U H1' H 1 5.422 0.020 . 1 . . . . A 20 U H1' . 34777 1 175 . 1 . 1 20 20 U H2' H 1 4.192 0.020 . 1 . . . . A 20 U H2' . 34777 1 176 . 1 . 1 20 20 U H3 H 1 11.354 0.020 . 1 . . . . A 20 U H3 . 34777 1 177 . 1 . 1 20 20 U H3' H 1 4.480 0.020 . 1 . . . . A 20 U H3' . 34777 1 178 . 1 . 1 20 20 U H4' H 1 4.406 0.020 . 1 . . . . A 20 U H4' . 34777 1 179 . 1 . 1 20 20 U H5 H 1 5.763 0.020 . 2 . . . . A 20 U H5 . 34777 1 180 . 1 . 1 20 20 U H5' H 1 4.499 0.020 . 2 . . . . A 20 U H5' . 34777 1 181 . 1 . 1 20 20 U H5'' H 1 4.056 0.020 . 2 . . . . A 20 U H5'' . 34777 1 182 . 1 . 1 20 20 U H6 H 1 7.962 0.020 . 1 . . . . A 20 U H6 . 34777 1 183 . 1 . 1 20 20 U C1' C 13 93.437 0.3 . 1 . . . . A 20 U C1' . 34777 1 184 . 1 . 1 20 20 U C2 C 13 153.974 0.3 . 1 . . . . A 20 U C2 . 34777 1 185 . 1 . 1 20 20 U C2' C 13 75.448 0.3 . 1 . . . . A 20 U C2' . 34777 1 186 . 1 . 1 20 20 U C3' C 13 71.978 0.3 . 1 . . . . A 20 U C3' . 34777 1 187 . 1 . 1 20 20 U C4 C 13 167.384 0.3 . 1 . . . . A 20 U C4 . 34777 1 188 . 1 . 1 20 20 U C4' C 13 82.048 0.3 . 1 . . . . A 20 U C4' . 34777 1 189 . 1 . 1 20 20 U C5 C 13 104.190 0.3 . 1 . . . . A 20 U C5 . 34777 1 190 . 1 . 1 20 20 U C5' C 13 64.118 0.3 . 1 . . . . A 20 U C5' . 34777 1 191 . 1 . 1 20 20 U C6 C 13 142.157 0.3 . 1 . . . . A 20 U C6 . 34777 1 192 . 1 . 1 20 20 U N1 N 15 147.015 0.3 . 1 . . . . A 20 U N1 . 34777 1 193 . 1 . 1 20 20 U N3 N 15 157.482 0.3 . 1 . . . . A 20 U N3 . 34777 1 194 . 1 . 1 20 20 U P P 31 -1.297 0.3 . 1 . . . . A 20 U P . 34777 1 195 . 1 . 1 20 20 U HO2' H 1 7.138 0.020 . 1 . . . . A 20 U HO2' . 34777 1 196 . 1 . 1 21 21 U H1' H 1 5.516 0.020 . 1 . . . . A 21 U H1' . 34777 1 197 . 1 . 1 21 21 U H2' H 1 4.501 0.020 . 1 . . . . A 21 U H2' . 34777 1 198 . 1 . 1 21 21 U H3 H 1 10.129 0.020 . 1 . . . . A 21 U H3 . 34777 1 199 . 1 . 1 21 21 U H3' H 1 4.489 0.020 . 1 . . . . A 21 U H3' . 34777 1 200 . 1 . 1 21 21 U H4' H 1 4.414 0.020 . 1 . . . . A 21 U H4' . 34777 1 201 . 1 . 1 21 21 U H5 H 1 5.677 0.020 . 2 . . . . A 21 U H5 . 34777 1 202 . 1 . 1 21 21 U H5' H 1 4.491 0.020 . 2 . . . . A 21 U H5' . 34777 1 203 . 1 . 1 21 21 U H5'' H 1 4.115 0.020 . 2 . . . . A 21 U H5'' . 34777 1 204 . 1 . 1 21 21 U H6 H 1 7.837 0.020 . 1 . . . . A 21 U H6 . 34777 1 205 . 1 . 1 21 21 U C1' C 13 94.025 0.3 . 1 . . . . A 21 U C1' . 34777 1 206 . 1 . 1 21 21 U C2 C 13 152.490 0.3 . 1 . . . . A 21 U C2 . 34777 1 207 . 1 . 1 21 21 U C2' C 13 74.843 0.3 . 1 . . . . A 21 U C2' . 34777 1 208 . 1 . 1 21 21 U C3' C 13 72.218 0.3 . 1 . . . . A 21 U C3' . 34777 1 209 . 1 . 1 21 21 U C4 C 13 168.802 0.3 . 1 . . . . A 21 U C4 . 34777 1 210 . 1 . 1 21 21 U C4' C 13 82.059 0.3 . 1 . . . . A 21 U C4' . 34777 1 211 . 1 . 1 21 21 U C5 C 13 103.385 0.3 . 1 . . . . A 21 U C5 . 34777 1 212 . 1 . 1 21 21 U C5' C 13 65.065 0.3 . 1 . . . . A 21 U C5' . 34777 1 213 . 1 . 1 21 21 U C6 C 13 142.823 0.3 . 1 . . . . A 21 U C6 . 34777 1 214 . 1 . 1 21 21 U N1 N 15 147.913 0.3 . 1 . . . . A 21 U N1 . 34777 1 215 . 1 . 1 21 21 U N3 N 15 155.771 0.3 . 1 . . . . A 21 U N3 . 34777 1 216 . 1 . 1 21 21 U P P 31 -1.065 0.3 . 1 . . . . A 21 U P . 34777 1 217 . 1 . 1 21 21 U HO2' H 1 6.906 0.020 . 1 . . . . A 21 U HO2' . 34777 1 218 . 1 . 1 22 22 A H1' H 1 6.039 0.020 . 1 . . . . A 22 A H1' . 34777 1 219 . 1 . 1 22 22 A H2 H 1 8.016 0.020 . 1 . . . . A 22 A H2 . 34777 1 220 . 1 . 1 22 22 A H2' H 1 4.656 0.020 . 1 . . . . A 22 A H2' . 34777 1 221 . 1 . 1 22 22 A H3' H 1 4.705 0.020 . 1 . . . . A 22 A H3' . 34777 1 222 . 1 . 1 22 22 A H4' H 1 4.511 0.020 . 1 . . . . A 22 A H4' . 34777 1 223 . 1 . 1 22 22 A H5' H 1 4.513 0.020 . 2 . . . . A 22 A H5' . 34777 1 224 . 1 . 1 22 22 A H5'' H 1 4.157 0.020 . 2 . . . . A 22 A H5'' . 34777 1 225 . 1 . 1 22 22 A H8 H 1 8.241 0.020 . 1 . . . . A 22 A H8 . 34777 1 226 . 1 . 1 22 22 A H61 H 1 6.810 0.020 . 1 . . . . A 22 A H61 . 34777 1 227 . 1 . 1 22 22 A H62 H 1 7.682 0.020 . 1 . . . . A 22 A H62 . 34777 1 228 . 1 . 1 22 22 A C1' C 13 91.696 0.3 . 1 . . . . A 22 A C1' . 34777 1 229 . 1 . 1 22 22 A C2 C 13 153.461 0.3 . 1 . . . . A 22 A C2 . 34777 1 230 . 1 . 1 22 22 A C2' C 13 75.593 0.3 . 1 . . . . A 22 A C2' . 34777 1 231 . 1 . 1 22 22 A C3' C 13 73.303 0.3 . 1 . . . . A 22 A C3' . 34777 1 232 . 1 . 1 22 22 A C4' C 13 82.088 0.3 . 1 . . . . A 22 A C4' . 34777 1 233 . 1 . 1 22 22 A C5' C 13 65.092 0.3 . 1 . . . . A 22 A C5' . 34777 1 234 . 1 . 1 22 22 A C8 C 13 139.854 0.3 . 1 . . . . A 22 A C8 . 34777 1 235 . 1 . 1 22 22 A N1 N 15 222.268 0.3 . 1 . . . . A 22 A N1 . 34777 1 236 . 1 . 1 22 22 A N3 N 15 214.148 0.3 . 1 . . . . A 22 A N3 . 34777 1 237 . 1 . 1 22 22 A N6 N 15 83.122 0.3 . 1 . . . . A 22 A N6 . 34777 1 238 . 1 . 1 22 22 A N7 N 15 230.948 0.3 . 1 . . . . A 22 A N7 . 34777 1 239 . 1 . 1 22 22 A N9 N 15 171.341 0.3 . 1 . . . . A 22 A N9 . 34777 1 240 . 1 . 1 22 22 A P P 31 -0.997 0.3 . 1 . . . . A 22 A P . 34777 1 241 . 1 . 1 23 23 C H1' H 1 5.461 0.020 . 1 . . . . A 23 C H1' . 34777 1 242 . 1 . 1 23 23 C H6 H 1 7.308 0.020 . 1 . . . . A 23 C H6 . 34777 1 243 . 1 . 1 23 23 C H41 H 1 6.907 0.020 . 1 . . . . A 23 C H41 . 34777 1 244 . 1 . 1 23 23 C H42 H 1 8.528 0.020 . 1 . . . . A 23 C H42 . 34777 1 245 . 1 . 1 24 24 G H1 H 1 12.995 0.020 . 1 . . . . A 24 G H1 . 34777 1 246 . 1 . 1 25 25 C H41 H 1 6.955 0.020 . 1 . . . . A 25 C H41 . 34777 1 247 . 1 . 1 25 25 C H42 H 1 8.599 0.020 . 1 . . . . A 25 C H42 . 34777 1 248 . 1 . 1 26 26 C H41 H 1 7.156 0.020 . 1 . . . . A 26 C H41 . 34777 1 249 . 1 . 1 26 26 C H42 H 1 8.593 0.020 . 1 . . . . A 26 C H42 . 34777 1 stop_ save_