################################### # 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 31154 _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 NOESY' . . . 31154 1 2 '2D TOCSY' . . . 31154 1 3 '2D COSY' . . . 31154 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 DT H1' H 1 5.665 . . . . . . . A 1 DT H1' . 31154 1 2 . 1 . 1 1 1 DT H2' H 1 1.634 . . . . . . . A 1 DT H2' . 31154 1 3 . 1 . 1 1 1 DT H2'' H 1 1.508 . . . . . . . A 1 DT H2'' . 31154 1 4 . 1 . 1 1 1 DT H3' H 1 4.377 . . . . . . . A 1 DT H3' . 31154 1 5 . 1 . 1 1 1 DT H4' H 1 3.838 . . . . . . . A 1 DT H4' . 31154 1 6 . 1 . 1 1 1 DT H5' H 1 3.391 . . . . . . . A 1 DT H5' . 31154 1 7 . 1 . 1 1 1 DT H5'' H 1 3.391 . . . . . . . A 1 DT H5'' . 31154 1 8 . 1 . 1 1 1 DT H6 H 1 7.034 . . . . . . . A 1 DT H6 . 31154 1 9 . 1 . 1 1 1 DT H71 H 1 1.465 . . . . . . . A 1 DT H71 . 31154 1 10 . 1 . 1 1 1 DT H72 H 1 1.465 . . . . . . . A 1 DT H72 . 31154 1 11 . 1 . 1 1 1 DT H73 H 1 1.465 . . . . . . . A 1 DT H73 . 31154 1 12 . 1 . 1 2 2 DA H1' H 1 5.721 . . . . . . . A 2 DA H1' . 31154 1 13 . 1 . 1 2 2 DA H2 H 1 7.718 . . . . . . . A 2 DA H2 . 31154 1 14 . 1 . 1 2 2 DA H2' H 1 2.087 . . . . . . . A 2 DA H2' . 31154 1 15 . 1 . 1 2 2 DA H2'' H 1 2.238 . . . . . . . A 2 DA H2'' . 31154 1 16 . 1 . 1 2 2 DA H3' H 1 4.618 . . . . . . . A 2 DA H3' . 31154 1 17 . 1 . 1 2 2 DA H4' H 1 3.902 . . . . . . . A 2 DA H4' . 31154 1 18 . 1 . 1 2 2 DA H5' H 1 3.603 . . . . . . . A 2 DA H5' . 31154 1 19 . 1 . 1 2 2 DA H5'' H 1 3.403 . . . . . . . A 2 DA H5'' . 31154 1 20 . 1 . 1 2 2 DA H8 H 1 7.860 . . . . . . . A 2 DA H8 . 31154 1 21 . 1 . 1 3 3 DG H1 H 1 11.81 . . . . . . . A 3 DG H1 . 31154 1 22 . 1 . 1 3 3 DG H1' H 1 5.880 . . . . . . . A 3 DG H1' . 31154 1 23 . 1 . 1 3 3 DG H2' H 1 2.752 . . . . . . . A 3 DG H2' . 31154 1 24 . 1 . 1 3 3 DG H2'' H 1 3.943 . . . . . . . A 3 DG H2'' . 31154 1 25 . 1 . 1 3 3 DG H3' H 1 4.803 . . . . . . . A 3 DG H3' . 31154 1 26 . 1 . 1 3 3 DG H4' H 1 4.321 . . . . . . . A 3 DG H4' . 31154 1 27 . 1 . 1 3 3 DG H5' H 1 4.183 . . . . . . . A 3 DG H5' . 31154 1 28 . 1 . 1 3 3 DG H5'' H 1 4.236 . . . . . . . A 3 DG H5'' . 31154 1 29 . 1 . 1 3 3 DG H8 H 1 8.178 . . . . . . . A 3 DG H8 . 31154 1 30 . 1 . 1 4 4 DG H1 H 1 11.03 . . . . . . . A 4 DG H1 . 31154 1 31 . 1 . 1 4 4 DG H1' H 1 6.045 . . . . . . . A 4 DG H1' . 31154 1 32 . 1 . 1 4 4 DG H2' H 1 2.839 . . . . . . . A 4 DG H2' . 31154 1 33 . 1 . 1 4 4 DG H2'' H 1 2.622 . . . . . . . A 4 DG H2'' . 31154 1 34 . 1 . 1 4 4 DG H3' H 1 5.066 . . . . . . . A 4 DG H3' . 31154 1 35 . 1 . 1 4 4 DG H4' H 1 4.484 . . . . . . . A 4 DG H4' . 31154 1 36 . 1 . 1 4 4 DG H5' H 1 4.215 . . . . . . . A 4 DG H5' . 31154 1 37 . 1 . 1 4 4 DG H5'' H 1 4.168 . . . . . . . A 4 DG H5'' . 31154 1 38 . 1 . 1 4 4 DG H8 H 1 7.525 . . . . . . . A 4 DG H8 . 31154 1 39 . 1 . 1 5 5 DG H1 H 1 10.39 . . . . . . . A 5 DG H1 . 31154 1 40 . 1 . 1 5 5 DG H1' H 1 6.470 . . . . . . . A 5 DG H1' . 31154 1 41 . 1 . 1 5 5 DG H2' H 1 2.773 . . . . . . . A 5 DG H2' . 31154 1 42 . 1 . 1 5 5 DG H2'' H 1 2.834 . . . . . . . A 5 DG H2'' . 31154 1 43 . 1 . 1 5 5 DG H3' H 1 5.116 . . . . . . . A 5 DG H3' . 31154 1 44 . 1 . 1 5 5 DG H4' H 1 4.572 . . . . . . . A 5 DG H4' . 31154 1 45 . 1 . 1 5 5 DG H5' H 1 4.105 . . . . . . . A 5 DG H5' . 31154 1 46 . 1 . 1 5 5 DG H5'' H 1 4.105 . . . . . . . A 5 DG H5'' . 31154 1 47 . 1 . 1 5 5 DG H8 H 1 7.711 . . . . . . . A 5 DG H8 . 31154 1 48 . 1 . 1 6 6 DA H1' H 1 6.601 . . . . . . . A 6 DA H1' . 31154 1 49 . 1 . 1 6 6 DA H2 H 1 8.210 . . . . . . . A 6 DA H2 . 31154 1 50 . 1 . 1 6 6 DA H2' H 1 3.023 . . . . . . . A 6 DA H2' . 31154 1 51 . 1 . 1 6 6 DA H2'' H 1 2.846 . . . . . . . A 6 DA H2'' . 31154 1 52 . 1 . 1 6 6 DA H3' H 1 5.144 . . . . . . . A 6 DA H3' . 31154 1 53 . 1 . 1 6 6 DA H4' H 1 4.610 . . . . . . . A 6 DA H4' . 31154 1 54 . 1 . 1 6 6 DA H5' H 1 4.219 . . . . . . . A 6 DA H5' . 31154 1 55 . 1 . 1 6 6 DA H5'' H 1 4.124 . . . . . . . A 6 DA H5'' . 31154 1 56 . 1 . 1 6 6 DA H8 H 1 8.453 . . . . . . . A 6 DA H8 . 31154 1 57 . 1 . 1 7 7 DG H1 H 1 11.51 . . . . . . . A 7 DG H1 . 31154 1 58 . 1 . 1 7 7 DG H1' H 1 6.090 . . . . . . . A 7 DG H1' . 31154 1 59 . 1 . 1 7 7 DG H2' H 1 2.559 . . . . . . . A 7 DG H2' . 31154 1 60 . 1 . 1 7 7 DG H2'' H 1 2.559 . . . . . . . A 7 DG H2'' . 31154 1 61 . 1 . 1 7 7 DG H3' H 1 5.047 . . . . . . . A 7 DG H3' . 31154 1 62 . 1 . 1 7 7 DG H4' H 1 4.406 . . . . . . . A 7 DG H4' . 31154 1 63 . 1 . 1 7 7 DG H5' H 1 4.226 . . . . . . . A 7 DG H5' . 31154 1 64 . 1 . 1 7 7 DG H5'' H 1 4.068 . . . . . . . A 7 DG H5'' . 31154 1 65 . 1 . 1 7 7 DG H8 H 1 7.849 . . . . . . . A 7 DG H8 . 31154 1 66 . 1 . 1 8 8 DG H1 H 1 11.24 . . . . . . . A 8 DG H1 . 31154 1 67 . 1 . 1 8 8 DG H1' H 1 5.955 . . . . . . . A 8 DG H1' . 31154 1 68 . 1 . 1 8 8 DG H2' H 1 2.026 . . . . . . . A 8 DG H2' . 31154 1 69 . 1 . 1 8 8 DG H2'' H 1 2.338 . . . . . . . A 8 DG H2'' . 31154 1 70 . 1 . 1 8 8 DG H3' H 1 4.909 . . . . . . . A 8 DG H3' . 31154 1 71 . 1 . 1 8 8 DG H4' H 1 4.483 . . . . . . . A 8 DG H4' . 31154 1 72 . 1 . 1 8 8 DG H5' H 1 4.022 . . . . . . . A 8 DG H5' . 31154 1 73 . 1 . 1 8 8 DG H5'' H 1 4.115 . . . . . . . A 8 DG H5'' . 31154 1 74 . 1 . 1 8 8 DG H8 H 1 7.756 . . . . . . . A 8 DG H8 . 31154 1 75 . 1 . 1 9 9 DG H1 H 1 10.51 . . . . . . . A 9 DG H1 . 31154 1 76 . 1 . 1 9 9 DG H1' H 1 6.052 . . . . . . . A 9 DG H1' . 31154 1 77 . 1 . 1 9 9 DG H2' H 1 2.745 . . . . . . . A 9 DG H2' . 31154 1 78 . 1 . 1 9 9 DG H2'' H 1 2.692 . . . . . . . A 9 DG H2'' . 31154 1 79 . 1 . 1 9 9 DG H3' H 1 4.976 . . . . . . . A 9 DG H3' . 31154 1 80 . 1 . 1 9 9 DG H4' H 1 4.387 . . . . . . . A 9 DG H4' . 31154 1 81 . 1 . 1 9 9 DG H5' H 1 4.059 . . . . . . . A 9 DG H5' . 31154 1 82 . 1 . 1 9 9 DG H5'' H 1 4.134 . . . . . . . A 9 DG H5'' . 31154 1 83 . 1 . 1 9 9 DG H8 H 1 7.698 . . . . . . . A 9 DG H8 . 31154 1 84 . 1 . 1 10 10 DT H1' H 1 6.045 . . . . . . . A 10 DT H1' . 31154 1 85 . 1 . 1 10 10 DT H2' H 1 2.879 . . . . . . . A 10 DT H2' . 31154 1 86 . 1 . 1 10 10 DT H2'' H 1 2.636 . . . . . . . A 10 DT H2'' . 31154 1 87 . 1 . 1 10 10 DT H3' H 1 5.100 . . . . . . . A 10 DT H3' . 31154 1 88 . 1 . 1 10 10 DT H4' H 1 4.502 . . . . . . . A 10 DT H4' . 31154 1 89 . 1 . 1 10 10 DT H5' H 1 4.228 . . . . . . . A 10 DT H5' . 31154 1 90 . 1 . 1 10 10 DT H5'' H 1 4.228 . . . . . . . A 10 DT H5'' . 31154 1 91 . 1 . 1 10 10 DT H6 H 1 7.371 . . . . . . . A 10 DT H6 . 31154 1 92 . 1 . 1 10 10 DT H71 H 1 1.805 . . . . . . . A 10 DT H71 . 31154 1 93 . 1 . 1 10 10 DT H72 H 1 1.805 . . . . . . . A 10 DT H72 . 31154 1 94 . 1 . 1 10 10 DT H73 H 1 1.805 . . . . . . . A 10 DT H73 . 31154 1 95 . 1 . 1 11 11 DA H1' H 1 6.431 . . . . . . . A 11 DA H1' . 31154 1 96 . 1 . 1 11 11 DA H2 H 1 8.883 . . . . . . . A 11 DA H2 . 31154 1 97 . 1 . 1 11 11 DA H2' H 1 2.918 . . . . . . . A 11 DA H2' . 31154 1 98 . 1 . 1 11 11 DA H2'' H 1 2.918 . . . . . . . A 11 DA H2'' . 31154 1 99 . 1 . 1 11 11 DA H3' H 1 5.133 . . . . . . . A 11 DA H3' . 31154 1 100 . 1 . 1 11 11 DA H4' H 1 4.427 . . . . . . . A 11 DA H4' . 31154 1 101 . 1 . 1 11 11 DA H5' H 1 4.288 . . . . . . . A 11 DA H5' . 31154 1 102 . 1 . 1 11 11 DA H5'' H 1 4.255 . . . . . . . A 11 DA H5'' . 31154 1 103 . 1 . 1 11 11 DA H8 H 1 7.904 . . . . . . . A 11 DA H8 . 31154 1 104 . 1 . 1 12 12 DG H1 H 1 10.32 . . . . . . . A 12 DG H1 . 31154 1 105 . 1 . 1 12 12 DG H1' H 1 6.342 . . . . . . . A 12 DG H1' . 31154 1 106 . 1 . 1 12 12 DG H2' H 1 2.602 . . . . . . . A 12 DG H2' . 31154 1 107 . 1 . 1 12 12 DG H2'' H 1 2.706 . . . . . . . A 12 DG H2'' . 31154 1 108 . 1 . 1 12 12 DG H3' H 1 5.052 . . . . . . . A 12 DG H3' . 31154 1 109 . 1 . 1 12 12 DG H4' H 1 4.449 . . . . . . . A 12 DG H4' . 31154 1 110 . 1 . 1 12 12 DG H5' H 1 4.245 . . . . . . . A 12 DG H5' . 31154 1 111 . 1 . 1 12 12 DG H5'' H 1 4.194 . . . . . . . A 12 DG H5'' . 31154 1 112 . 1 . 1 12 12 DG H8 H 1 7.601 . . . . . . . A 12 DG H8 . 31154 1 113 . 1 . 1 13 13 DG H1 H 1 10.98 . . . . . . . A 13 DG H1 . 31154 1 114 . 1 . 1 13 13 DG H1' H 1 6.198 . . . . . . . A 13 DG H1' . 31154 1 115 . 1 . 1 13 13 DG H2' H 1 2.256 . . . . . . . A 13 DG H2' . 31154 1 116 . 1 . 1 13 13 DG H2'' H 1 2.577 . . . . . . . A 13 DG H2'' . 31154 1 117 . 1 . 1 13 13 DG H3' H 1 5.073 . . . . . . . A 13 DG H3' . 31154 1 118 . 1 . 1 13 13 DG H4' H 1 3.512 . . . . . . . A 13 DG H4' . 31154 1 119 . 1 . 1 13 13 DG H5' H 1 4.214 . . . . . . . A 13 DG H5' . 31154 1 120 . 1 . 1 13 13 DG H5'' H 1 4.214 . . . . . . . A 13 DG H5'' . 31154 1 121 . 1 . 1 13 13 DG H8 H 1 6.506 . . . . . . . A 13 DG H8 . 31154 1 122 . 1 . 1 14 14 DG H1 H 1 11.53 . . . . . . . A 14 DG H1 . 31154 1 123 . 1 . 1 14 14 DG H1' H 1 5.869 . . . . . . . A 14 DG H1' . 31154 1 124 . 1 . 1 14 14 DG H2' H 1 1.964 . . . . . . . A 14 DG H2' . 31154 1 125 . 1 . 1 14 14 DG H2'' H 1 2.448 . . . . . . . A 14 DG H2'' . 31154 1 126 . 1 . 1 14 14 DG H3' H 1 4.894 . . . . . . . A 14 DG H3' . 31154 1 127 . 1 . 1 14 14 DG H4' H 1 3.435 . . . . . . . A 14 DG H4' . 31154 1 128 . 1 . 1 14 14 DG H5' H 1 4.023 . . . . . . . A 14 DG H5' . 31154 1 129 . 1 . 1 14 14 DG H5'' H 1 4.174 . . . . . . . A 14 DG H5'' . 31154 1 130 . 1 . 1 14 14 DG H8 H 1 8.008 . . . . . . . A 14 DG H8 . 31154 1 131 . 1 . 1 15 15 DA H1' H 1 6.327 . . . . . . . A 15 DA H1' . 31154 1 132 . 1 . 1 15 15 DA H2 H 1 8.165 . . . . . . . A 15 DA H2 . 31154 1 133 . 1 . 1 15 15 DA H2' H 1 2.706 . . . . . . . A 15 DA H2' . 31154 1 134 . 1 . 1 15 15 DA H2'' H 1 2.889 . . . . . . . A 15 DA H2'' . 31154 1 135 . 1 . 1 15 15 DA H3' H 1 5.015 . . . . . . . A 15 DA H3' . 31154 1 136 . 1 . 1 15 15 DA H4' H 1 4.386 . . . . . . . A 15 DA H4' . 31154 1 137 . 1 . 1 15 15 DA H5' H 1 4.203 . . . . . . . A 15 DA H5' . 31154 1 138 . 1 . 1 15 15 DA H5'' H 1 4.257 . . . . . . . A 15 DA H5'' . 31154 1 139 . 1 . 1 15 15 DA H8 H 1 8.383 . . . . . . . A 15 DA H8 . 31154 1 140 . 1 . 1 16 16 DG H1 H 1 11.10 . . . . . . . A 16 DG H1 . 31154 1 141 . 1 . 1 16 16 DG H1' H 1 6.254 . . . . . . . A 16 DG H1' . 31154 1 142 . 1 . 1 16 16 DG H2' H 1 2.363 . . . . . . . A 16 DG H2' . 31154 1 143 . 1 . 1 16 16 DG H2'' H 1 2.432 . . . . . . . A 16 DG H2'' . 31154 1 144 . 1 . 1 16 16 DG H3' H 1 5.111 . . . . . . . A 16 DG H3' . 31154 1 145 . 1 . 1 16 16 DG H4' H 1 4.492 . . . . . . . A 16 DG H4' . 31154 1 146 . 1 . 1 16 16 DG H5' H 1 4.104 . . . . . . . A 16 DG H5' . 31154 1 147 . 1 . 1 16 16 DG H5'' H 1 4.235 . . . . . . . A 16 DG H5'' . 31154 1 148 . 1 . 1 16 16 DG H8 H 1 7.833 . . . . . . . A 16 DG H8 . 31154 1 149 . 1 . 1 17 17 DG H1 H 1 11.11 . . . . . . . A 17 DG H1 . 31154 1 150 . 1 . 1 17 17 DG H1' H 1 5.927 . . . . . . . A 17 DG H1' . 31154 1 151 . 1 . 1 17 17 DG H2' H 1 2.238 . . . . . . . A 17 DG H2' . 31154 1 152 . 1 . 1 17 17 DG H2'' H 1 2.238 . . . . . . . A 17 DG H2'' . 31154 1 153 . 1 . 1 17 17 DG H3' H 1 5.118 . . . . . . . A 17 DG H3' . 31154 1 154 . 1 . 1 17 17 DG H4' H 1 4.372 . . . . . . . A 17 DG H4' . 31154 1 155 . 1 . 1 17 17 DG H5' H 1 4.088 . . . . . . . A 17 DG H5' . 31154 1 156 . 1 . 1 17 17 DG H5'' H 1 4.088 . . . . . . . A 17 DG H5'' . 31154 1 157 . 1 . 1 17 17 DG H8 H 1 7.808 . . . . . . . A 17 DG H8 . 31154 1 158 . 1 . 1 18 18 DG H1 H 1 10.49 . . . . . . . A 18 DG H1 . 31154 1 159 . 1 . 1 18 18 DG H1' H 1 6.473 . . . . . . . A 18 DG H1' . 31154 1 160 . 1 . 1 18 18 DG H2' H 1 2.661 . . . . . . . A 18 DG H2' . 31154 1 161 . 1 . 1 18 18 DG H2'' H 1 2.792 . . . . . . . A 18 DG H2'' . 31154 1 162 . 1 . 1 18 18 DG H3' H 1 5.033 . . . . . . . A 18 DG H3' . 31154 1 163 . 1 . 1 18 18 DG H4' H 1 4.394 . . . . . . . A 18 DG H4' . 31154 1 164 . 1 . 1 18 18 DG H5' H 1 4.184 . . . . . . . A 18 DG H5' . 31154 1 165 . 1 . 1 18 18 DG H5'' H 1 4.272 . . . . . . . A 18 DG H5'' . 31154 1 166 . 1 . 1 18 18 DG H8 H 1 7.709 . . . . . . . A 18 DG H8 . 31154 1 167 . 1 . 1 19 19 DT H1' H 1 6.257 . . . . . . . A 19 DT H1' . 31154 1 168 . 1 . 1 19 19 DT H2' H 1 2.245 . . . . . . . A 19 DT H2' . 31154 1 169 . 1 . 1 19 19 DT H2'' H 1 2.565 . . . . . . . A 19 DT H2'' . 31154 1 170 . 1 . 1 19 19 DT H3' H 1 4.927 . . . . . . . A 19 DT H3' . 31154 1 171 . 1 . 1 19 19 DT H4' H 1 4.382 . . . . . . . A 19 DT H4' . 31154 1 172 . 1 . 1 19 19 DT H5' H 1 4.102 . . . . . . . A 19 DT H5' . 31154 1 173 . 1 . 1 19 19 DT H5'' H 1 4.102 . . . . . . . A 19 DT H5'' . 31154 1 174 . 1 . 1 19 19 DT H6 H 1 7.562 . . . . . . . A 19 DT H6 . 31154 1 175 . 1 . 1 19 19 DT H71 H 1 1.206 . . . . . . . A 19 DT H71 . 31154 1 176 . 1 . 1 19 19 DT H72 H 1 1.206 . . . . . . . A 19 DT H72 . 31154 1 177 . 1 . 1 19 19 DT H73 H 1 1.206 . . . . . . . A 19 DT H73 . 31154 1 178 . 2 . 2 1 1 H9C H1 H 1 8.831 . . . . . . . A 101 H9C H1 . 31154 1 179 . 2 . 2 1 1 H9C H10 H 1 8.831 . . . . . . . A 101 H9C H10 . 31154 1 180 . 2 . 2 1 1 H9C H13 H 1 8.831 . . . . . . . A 101 H9C H13 . 31154 1 181 . 2 . 2 1 1 H9C H14 H 1 7.663 . . . . . . . A 101 H9C H14 . 31154 1 182 . 2 . 2 1 1 H9C H15 H 1 8.544 . . . . . . . A 101 H9C H15 . 31154 1 183 . 2 . 2 1 1 H9C H17 H 1 7.606 . . . . . . . A 101 H9C H17 . 31154 1 184 . 2 . 2 1 1 H9C H18 H 1 7.606 . . . . . . . A 101 H9C H18 . 31154 1 185 . 2 . 2 1 1 H9C H2 H 1 7.663 . . . . . . . A 101 H9C H2 . 31154 1 186 . 2 . 2 1 1 H9C H20 H 1 8.544 . . . . . . . A 101 H9C H20 . 31154 1 187 . 2 . 2 1 1 H9C H21 H 1 7.663 . . . . . . . A 101 H9C H21 . 31154 1 188 . 2 . 2 1 1 H9C H22 H 1 8.831 . . . . . . . A 101 H9C H22 . 31154 1 189 . 2 . 2 1 1 H9C H3 H 1 8.544 . . . . . . . A 101 H9C H3 . 31154 1 190 . 2 . 2 1 1 H9C H5 H 1 7.606 . . . . . . . A 101 H9C H5 . 31154 1 191 . 2 . 2 1 1 H9C H6 H 1 7.606 . . . . . . . A 101 H9C H6 . 31154 1 192 . 2 . 2 1 1 H9C H8 H 1 8.544 . . . . . . . A 101 H9C H8 . 31154 1 193 . 2 . 2 1 1 H9C H9 H 1 7.663 . . . . . . . A 101 H9C H9 . 31154 1 stop_ save_