################################### # 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 15860 _Assigned_chem_shift_list.ID 1 _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-1H NOESY' . . . 15860 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5.927 0.001 . 1 . . . . 1 T H1' . 15860 1 2 . 1 1 1 1 DT H2' H 1 2.044 0.002 . 1 . . . . 1 T H2' . 15860 1 3 . 1 1 1 1 DT H2'' H 1 2.416 0.002 . 1 . . . . 1 T H2'' . 15860 1 4 . 1 1 1 1 DT H3' H 1 4.629 0.002 . 1 . . . . 1 T H3' . 15860 1 5 . 1 1 1 1 DT H4' H 1 4.023 0.002 . 1 . . . . 1 T H4' . 15860 1 6 . 1 1 1 1 DT H5' H 1 3.659 0.002 . 1 . . . . 1 T H5' . 15860 1 7 . 1 1 1 1 DT H5'' H 1 3.658 0.002 . 1 . . . . 1 T H5'' . 15860 1 8 . 1 1 1 1 DT H6 H 1 7.469 0.002 . 1 . . . . 1 T H6 . 15860 1 9 . 1 1 1 1 DT H71 H 1 1.633 0.002 . 1 . . . . 1 T H7 . 15860 1 10 . 1 1 1 1 DT H72 H 1 1.633 0.002 . 1 . . . . 1 T H7 . 15860 1 11 . 1 1 1 1 DT H73 H 1 1.633 0.002 . 1 . . . . 1 T H7 . 15860 1 12 . 1 1 2 2 DT H1' H 1 5.541 0.003 . 1 . . . . 2 T H1' . 15860 1 13 . 1 1 2 2 DT H2' H 1 2.032 0.002 . 1 . . . . 2 T H2' . 15860 1 14 . 1 1 2 2 DT H2'' H 1 2.331 0.002 . 1 . . . . 2 T H2'' . 15860 1 15 . 1 1 2 2 DT H3' H 1 4.784 0.003 . 1 . . . . 2 T H3' . 15860 1 16 . 1 1 2 2 DT H4' H 1 4.075 0.002 . 1 . . . . 2 T H4' . 15860 1 17 . 1 1 2 2 DT H5' H 1 4.011 0.003 . 1 . . . . 2 T H5' . 15860 1 18 . 1 1 2 2 DT H5'' H 1 3.952 0.002 . 1 . . . . 2 T H5'' . 15860 1 19 . 1 1 2 2 DT H6 H 1 7.425 0.002 . 1 . . . . 2 T H6 . 15860 1 20 . 1 1 2 2 DT H71 H 1 1.705 0.002 . 1 . . . . 2 T H7 . 15860 1 21 . 1 1 2 2 DT H72 H 1 1.705 0.002 . 1 . . . . 2 T H7 . 15860 1 22 . 1 1 2 2 DT H73 H 1 1.705 0.002 . 1 . . . . 2 T H7 . 15860 1 23 . 1 1 3 3 DA H1' H 1 5.875 0.002 . 1 . . . . 3 A H1' . 15860 1 24 . 1 1 3 3 DA H2 H 1 7.043 0.002 . 1 . . . . 3 A H2 . 15860 1 25 . 1 1 3 3 DA H2' H 1 2.759 0.003 . 1 . . . . 3 A H2' . 15860 1 26 . 1 1 3 3 DA H2'' H 1 2.861 0.003 . 1 . . . . 3 A H2'' . 15860 1 27 . 1 1 3 3 DA H3' H 1 4.995 0.002 . 1 . . . . 3 A H3' . 15860 1 28 . 1 1 3 3 DA H4' H 1 4.361 0.002 . 1 . . . . 3 A H4' . 15860 1 29 . 1 1 3 3 DA H5' H 1 4.016 0.002 . 1 . . . . 3 A H5' . 15860 1 30 . 1 1 3 3 DA H5'' H 1 4.076 0.003 . 1 . . . . 3 A H5'' . 15860 1 31 . 1 1 3 3 DA H8 H 1 8.257 0.002 . 1 . . . . 3 A H8 . 15860 1 32 . 1 1 4 4 DA H1' H 1 6.147 0.002 . 1 . . . . 4 A H1' . 15860 1 33 . 1 1 4 4 DA H2 H 1 7.587 0.001 . 1 . . . . 4 A H2 . 15860 1 34 . 1 1 4 4 DA H2' H 1 2.566 0.001 . 1 . . . . 4 A H2' . 15860 1 35 . 1 1 4 4 DA H2'' H 1 2.857 0.002 . 1 . . . . 4 A H2'' . 15860 1 36 . 1 1 4 4 DA H3' H 1 4.952 0.002 . 1 . . . . 4 A H3' . 15860 1 37 . 1 1 4 4 DA H4' H 1 4.431 0.003 . 1 . . . . 4 A H4' . 15860 1 38 . 1 1 4 4 DA H5' H 1 4.197 0.002 . 1 . . . . 4 A H5' . 15860 1 39 . 1 1 4 4 DA H5'' H 1 4.217 0.002 . 1 . . . . 4 A H5'' . 15860 1 40 . 1 1 4 4 DA H8 H 1 8.150 0.002 . 1 . . . . 4 A H8 . 15860 1 41 . 1 1 5 5 DT H1' H 1 5.859 0.002 . 1 . . . . 5 T H1' . 15860 1 42 . 1 1 5 5 DT H2' H 1 1.975 0.003 . 1 . . . . 5 T H2' . 15860 1 43 . 1 1 5 5 DT H2'' H 1 2.490 0.002 . 1 . . . . 5 T H2'' . 15860 1 44 . 1 1 5 5 DT H3' H 1 4.759 0.002 . 1 . . . . 5 T H3' . 15860 1 45 . 1 1 5 5 DT H4' H 1 4.129 0.002 . 1 . . . . 5 T H4' . 15860 1 46 . 1 1 5 5 DT H5' H 1 4.087 0.002 . 1 . . . . 5 T H5' . 15860 1 47 . 1 1 5 5 DT H5'' H 1 4.245 0.003 . 1 . . . . 5 T H5'' . 15860 1 48 . 1 1 5 5 DT H6 H 1 7.113 0.002 . 1 . . . . 5 T H6 . 15860 1 49 . 1 1 5 5 DT H71 H 1 1.260 0.003 . 1 . . . . 5 T H7 . 15860 1 50 . 1 1 5 5 DT H72 H 1 1.260 0.003 . 1 . . . . 5 T H7 . 15860 1 51 . 1 1 5 5 DT H73 H 1 1.260 0.003 . 1 . . . . 5 T H7 . 15860 1 52 . 1 1 6 6 DT H1' H 1 6.073 0.002 . 1 . . . . 6 T H1' . 15860 1 53 . 1 1 6 6 DT H2' H 1 2.081 0.003 . 1 . . . . 6 T H2' . 15860 1 54 . 1 1 6 6 DT H2'' H 1 2.495 0.002 . 1 . . . . 6 T H2'' . 15860 1 55 . 1 1 6 6 DT H3' H 1 4.812 0.002 . 1 . . . . 6 T H3' . 15860 1 56 . 1 1 6 6 DT H4' H 1 4.135 0.003 . 1 . . . . 6 T H4' . 15860 1 57 . 1 1 6 6 DT H5' H 1 4.152 0.003 . 1 . . . . 6 T H5' . 15860 1 58 . 1 1 6 6 DT H5'' H 1 4.040 0.003 . 1 . . . . 6 T H5'' . 15860 1 59 . 1 1 6 6 DT H6 H 1 7.389 0.002 . 1 . . . . 6 T H6 . 15860 1 60 . 1 1 6 6 DT H71 H 1 1.517 0.002 . 1 . . . . 6 T H7 . 15860 1 61 . 1 1 6 6 DT H72 H 1 1.517 0.002 . 1 . . . . 6 T H7 . 15860 1 62 . 1 1 6 6 DT H73 H 1 1.517 0.002 . 1 . . . . 6 T H7 . 15860 1 63 . 1 1 7 7 DT H1' H 1 5.966 0.002 . 1 . . . . 7 T H1' . 15860 1 64 . 1 1 7 7 DT H2' H 1 2.094 0.002 . 1 . . . . 7 T H2' . 15860 1 65 . 1 1 7 7 DT H2'' H 1 2.189 0.002 . 1 . . . . 7 T H2'' . 15860 1 66 . 1 1 7 7 DT H3' H 1 4.843 0.002 . 1 . . . . 7 T H3' . 15860 1 67 . 1 1 7 7 DT H4' H 1 4.195 0.002 . 1 . . . . 7 T H4' . 15860 1 68 . 1 1 7 7 DT H5' H 1 4.139 0.003 . 1 . . . . 7 T H5' . 15860 1 69 . 1 1 7 7 DT H5'' H 1 4.039 0.004 . 1 . . . . 7 T H5'' . 15860 1 70 . 1 1 7 7 DT H6 H 1 7.283 0.002 . 1 . . . . 7 T H6 . 15860 1 71 . 1 1 7 7 DT H71 H 1 1.471 0.002 . 1 . . . . 7 T H7 . 15860 1 72 . 1 1 7 7 DT H72 H 1 1.471 0.002 . 1 . . . . 7 T H7 . 15860 1 73 . 1 1 7 7 DT H73 H 1 1.471 0.002 . 1 . . . . 7 T H7 . 15860 1 74 . 1 1 8 8 D33 H1' H 1 6.349 0.002 . 1 . . . . 8 X H1' . 15860 1 75 . 1 1 8 8 D33 H2 H 1 8.960 0.002 . 1 . . . . 8 X H2 . 15860 1 76 . 1 1 8 8 D33 H2'1 H 1 2.585 0.003 . 1 . . . . 8 X H2' . 15860 1 77 . 1 1 8 8 D33 H2'2 H 1 2.741 0.003 . 1 . . . . 8 X H2'' . 15860 1 78 . 1 1 8 8 D33 H4 H 1 7.667 0.002 . 1 . . . . 8 X H4 . 15860 1 79 . 1 1 8 8 D33 H4' H 1 4.433 0.001 . 1 . . . . 8 X H4' . 15860 1 80 . 1 1 8 8 D33 H5 H 1 7.751 0.002 . 1 . . . . 8 X H5 . 15860 1 81 . 1 1 8 8 D33 H5'1 H 1 4.107 0.002 . 1 . . . . 8 X H5' . 15860 1 82 . 1 1 8 8 D33 H5'2 H 1 4.128 0.003 . 1 . . . . 8 X H5'' . 15860 1 83 . 1 1 9 9 D33 H1' H 1 5.776 0.002 . 1 . . . . 9 X H1' . 15860 1 84 . 1 1 9 9 D33 H2 H 1 8.701 0.001 . 1 . . . . 9 X H2 . 15860 1 85 . 1 1 9 9 D33 H2'1 H 1 2.183 0.002 . 1 . . . . 9 X H2' . 15860 1 86 . 1 1 9 9 D33 H2'2 H 1 2.376 0.002 . 1 . . . . 9 X H2'' . 15860 1 87 . 1 1 9 9 D33 H3' H 1 4.629 0.001 . 1 . . . . 9 X H3' . 15860 1 88 . 1 1 9 9 D33 H4 H 1 7.404 0.002 . 1 . . . . 9 X H4 . 15860 1 89 . 1 1 9 9 D33 H4' H 1 3.651 0.002 . 1 . . . . 9 X H4' . 15860 1 90 . 1 1 9 9 D33 H5 H 1 7.453 0.002 . 1 . . . . 9 X H5 . 15860 1 91 . 1 1 9 9 D33 H5'1 H 1 3.878 0.002 . 1 . . . . 9 X H5' . 15860 1 92 . 1 1 9 9 D33 H5'2 H 1 3.755 0.002 . 1 . . . . 9 X H5'' . 15860 1 93 . 1 1 10 10 D33 H1' H 1 5.774 0.002 . 1 . . . . 10 X H1' . 15860 1 94 . 1 1 10 10 D33 H2 H 1 8.579 0.002 . 1 . . . . 10 X H2 . 15860 1 95 . 1 1 10 10 D33 H2'1 H 1 2.134 0.002 . 1 . . . . 10 X H2' . 15860 1 96 . 1 1 10 10 D33 H2'2 H 1 2.406 0.002 . 1 . . . . 10 X H2'' . 15860 1 97 . 1 1 10 10 D33 H3' H 1 4.546 0.002 . 1 . . . . 10 X H3' . 15860 1 98 . 1 1 10 10 D33 H4 H 1 7.305 0.002 . 1 . . . . 10 X H4 . 15860 1 99 . 1 1 10 10 D33 H4' H 1 3.560 0.001 . 1 . . . . 10 X H4' . 15860 1 100 . 1 1 10 10 D33 H5 H 1 7.350 0.001 . 1 . . . . 10 X H5 . 15860 1 101 . 1 1 10 10 D33 H5'1 H 1 2.837 0.002 . 1 . . . . 10 X H5' . 15860 1 102 . 1 1 10 10 D33 H5'2 H 1 3.353 0.002 . 1 . . . . 10 X H5'' . 15860 1 103 . 1 1 11 11 DA H1' H 1 5.869 0.003 . 1 . . . . 11 A H1' . 15860 1 104 . 1 1 11 11 DA H2 H 1 7.448 0.002 . 1 . . . . 11 A H2 . 15860 1 105 . 1 1 11 11 DA H2' H 1 2.793 0.002 . 1 . . . . 11 A H2' . 15860 1 106 . 1 1 11 11 DA H2'' H 1 2.932 0.003 . 1 . . . . 11 A H2'' . 15860 1 107 . 1 1 11 11 DA H3' H 1 4.819 0.002 . 1 . . . . 11 A H3' . 15860 1 108 . 1 1 11 11 DA H4' H 1 4.291 0.003 . 1 . . . . 11 A H4' . 15860 1 109 . 1 1 11 11 DA H5' H 1 3.963 0.002 . 1 . . . . 11 A H5' . 15860 1 110 . 1 1 11 11 DA H5'' H 1 3.828 0.002 . 1 . . . . 11 A H5'' . 15860 1 111 . 1 1 11 11 DA H8 H 1 8.176 0.002 . 1 . . . . 11 A H8 . 15860 1 112 . 1 1 12 12 DA H1' H 1 5.869 0.003 . 1 . . . . 12 A H1' . 15860 1 113 . 1 1 12 12 DA H2 H 1 7.120 0.002 . 1 . . . . 12 A H2 . 15860 1 114 . 1 1 12 12 DA H2' H 1 2.645 0.003 . 1 . . . . 12 A H2' . 15860 1 115 . 1 1 12 12 DA H2'' H 1 2.819 0.002 . 1 . . . . 12 A H2'' . 15860 1 116 . 1 1 12 12 DA H3' H 1 4.982 0.001 . 1 . . . . 12 A H3' . 15860 1 117 . 1 1 12 12 DA H4' H 1 4.375 0.002 . 1 . . . . 12 A H4' . 15860 1 118 . 1 1 12 12 DA H5' H 1 4.140 0.000 . 1 . . . . 12 A H5' . 15860 1 119 . 1 1 12 12 DA H5'' H 1 4.134 0.002 . 1 . . . . 12 A H5'' . 15860 1 120 . 1 1 12 12 DA H8 H 1 8.091 0.002 . 1 . . . . 12 A H8 . 15860 1 121 . 1 1 13 13 DA H1' H 1 6.116 0.002 . 1 . . . . 13 A H1' . 15860 1 122 . 1 1 13 13 DA H2 H 1 7.603 0.002 . 1 . . . . 13 A H2 . 15860 1 123 . 1 1 13 13 DA H2' H 1 2.505 0.002 . 1 . . . . 13 A H2' . 15860 1 124 . 1 1 13 13 DA H2'' H 1 2.843 0.002 . 1 . . . . 13 A H2'' . 15860 1 125 . 1 1 13 13 DA H3' H 1 4.924 0.002 . 1 . . . . 13 A H3' . 15860 1 126 . 1 1 13 13 DA H4' H 1 4.250 0.002 . 1 . . . . 13 A H4' . 15860 1 127 . 1 1 13 13 DA H5' H 1 4.058 0.002 . 1 . . . . 13 A H5' . 15860 1 128 . 1 1 13 13 DA H5'' H 1 4.130 0.002 . 1 . . . . 13 A H5'' . 15860 1 129 . 1 1 13 13 DA H8 H 1 8.058 0.003 . 1 . . . . 13 A H8 . 15860 1 130 . 1 1 14 14 DT H1' H 1 5.826 0.002 . 1 . . . . 14 T H1' . 15860 1 131 . 1 1 14 14 DT H2' H 1 1.861 0.003 . 1 . . . . 14 T H2' . 15860 1 132 . 1 1 14 14 DT H2'' H 1 2.414 0.002 . 1 . . . . 14 T H2'' . 15860 1 133 . 1 1 14 14 DT H3' H 1 4.764 0.001 . 1 . . . . 14 T H3' . 15860 1 134 . 1 1 14 14 DT H4' H 1 4.135 0.002 . 1 . . . . 14 T H4' . 15860 1 135 . 1 1 14 14 DT H5' H 1 4.105 0.002 . 1 . . . . 14 T H5' . 15860 1 136 . 1 1 14 14 DT H5'' H 1 4.270 0.002 . 1 . . . . 14 T H5'' . 15860 1 137 . 1 1 14 14 DT H6 H 1 7.052 0.003 . 1 . . . . 14 T H6 . 15860 1 138 . 1 1 14 14 DT H71 H 1 1.206 0.002 . 1 . . . . 14 T H7 . 15860 1 139 . 1 1 14 14 DT H72 H 1 1.206 0.002 . 1 . . . . 14 T H7 . 15860 1 140 . 1 1 14 14 DT H73 H 1 1.206 0.002 . 1 . . . . 14 T H7 . 15860 1 141 . 1 1 15 15 DT H1' H 1 5.645 0.002 . 1 . . . . 15 T H1' . 15860 1 142 . 1 1 15 15 DT H2' H 1 1.797 0.002 . 1 . . . . 15 T H2' . 15860 1 143 . 1 1 15 15 DT H2'' H 1 2.201 0.003 . 1 . . . . 15 T H2'' . 15860 1 144 . 1 1 15 15 DT H3' H 1 4.766 0.001 . 1 . . . . 15 T H3' . 15860 1 145 . 1 1 15 15 DT H4' H 1 4.024 0.002 . 1 . . . . 15 T H4' . 15860 1 146 . 1 1 15 15 DT H5' H 1 3.989 0.003 . 1 . . . . 15 T H5' . 15860 1 147 . 1 1 15 15 DT H5'' H 1 4.043 0.002 . 1 . . . . 15 T H5'' . 15860 1 148 . 1 1 15 15 DT H6 H 1 7.179 0.002 . 1 . . . . 15 T H6 . 15860 1 149 . 1 1 15 15 DT H71 H 1 1.542 0.002 . 1 . . . . 15 T H7 . 15860 1 150 . 1 1 15 15 DT H72 H 1 1.542 0.002 . 1 . . . . 15 T H7 . 15860 1 151 . 1 1 15 15 DT H73 H 1 1.542 0.002 . 1 . . . . 15 T H7 . 15860 1 152 . 1 1 16 16 DA H1' H 1 5.892 0.003 . 1 . . . . 16 A H1' . 15860 1 153 . 1 1 16 16 DA H2 H 1 7.368 0.001 . 1 . . . . 16 A H2 . 15860 1 154 . 1 1 16 16 DA H2' H 1 2.576 0.002 . 1 . . . . 16 A H2' . 15860 1 155 . 1 1 16 16 DA H2'' H 1 2.647 0.002 . 1 . . . . 16 A H2'' . 15860 1 156 . 1 1 16 16 DA H3' H 1 4.916 0.002 . 1 . . . . 16 A H3' . 15860 1 157 . 1 1 16 16 DA H4' H 1 4.244 0.001 . 1 . . . . 16 A H4' . 15860 1 158 . 1 1 16 16 DA H5' H 1 4.017 0.002 . 1 . . . . 16 A H5' . 15860 1 159 . 1 1 16 16 DA H5'' H 1 3.956 0.002 . 1 . . . . 16 A H5'' . 15860 1 160 . 1 1 16 16 DA H8 H 1 8.038 0.002 . 1 . . . . 16 A H8 . 15860 1 161 . 1 1 17 17 DA H1' H 1 6.140 0.002 . 1 . . . . 17 A H1' . 15860 1 162 . 1 1 17 17 DA H2 H 1 7.723 0.002 . 1 . . . . 17 A H2 . 15860 1 163 . 1 1 17 17 DA H2' H 1 2.523 0.002 . 1 . . . . 17 A H2' . 15860 1 164 . 1 1 17 17 DA H2'' H 1 2.307 0.002 . 1 . . . . 17 A H2'' . 15860 1 165 . 1 1 17 17 DA H3' H 1 4.611 0.001 . 1 . . . . 17 A H3' . 15860 1 166 . 1 1 17 17 DA H4' H 1 4.128 0.002 . 1 . . . . 17 A H4' . 15860 1 167 . 1 1 17 17 DA H5' H 1 4.170 0.002 . 1 . . . . 17 A H5' . 15860 1 168 . 1 1 17 17 DA H5'' H 1 4.066 0.002 . 1 . . . . 17 A H5'' . 15860 1 169 . 1 1 17 17 DA H8 H 1 8.057 0.002 . 1 . . . . 17 A H8 . 15860 1 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_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15860 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 5 '2D 1H-1H NOESY' . . . 15860 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5.938 0.002 . 1 . . . . 1 T H1' . 15860 2 2 . 1 1 1 1 DT H2' H 1 2.052 0.002 . 1 . . . . 1 T H2' . 15860 2 3 . 1 1 1 1 DT H2'' H 1 2.440 0.003 . 1 . . . . 1 T H2'' . 15860 2 4 . 1 1 1 1 DT H3' H 1 4.644 0.003 . 1 . . . . 1 T H3' . 15860 2 5 . 1 1 1 1 DT H4' H 1 4.033 0.002 . 1 . . . . 1 T H4' . 15860 2 6 . 1 1 1 1 DT H5' H 1 3.668 0.001 . 1 . . . . 1 T H5' . 15860 2 7 . 1 1 1 1 DT H5'' H 1 3.668 0.001 . 1 . . . . 1 T H5'' . 15860 2 8 . 1 1 1 1 DT H6 H 1 7.490 0.002 . 1 . . . . 1 T H6 . 15860 2 9 . 1 1 1 1 DT H71 H 1 1.645 0.002 . 1 . . . . 1 T H7 . 15860 2 10 . 1 1 1 1 DT H72 H 1 1.645 0.002 . 1 . . . . 1 T H7 . 15860 2 11 . 1 1 1 1 DT H73 H 1 1.645 0.002 . 1 . . . . 1 T H7 . 15860 2 12 . 1 1 2 2 DT H1' H 1 5.575 0.002 . 1 . . . . 2 T H1' . 15860 2 13 . 1 1 2 2 DT H2' H 1 2.061 0.002 . 1 . . . . 2 T H2' . 15860 2 14 . 1 1 2 2 DT H2'' H 1 2.366 0.003 . 1 . . . . 2 T H2'' . 15860 2 15 . 1 1 2 2 DT H3' H 1 4.804 0.002 . 1 . . . . 2 T H3' . 15860 2 16 . 1 1 2 2 DT H4' H 1 4.086 0.001 . 1 . . . . 2 T H4' . 15860 2 17 . 1 1 2 2 DT H5' H 1 4.024 0.002 . 1 . . . . 2 T H5' . 15860 2 18 . 1 1 2 2 DT H5'' H 1 3.970 0.003 . 1 . . . . 2 T H5'' . 15860 2 19 . 1 1 2 2 DT H6 H 1 7.441 0.001 . 1 . . . . 2 T H6 . 15860 2 20 . 1 1 2 2 DT H71 H 1 1.716 0.003 . 1 . . . . 2 T H7 . 15860 2 21 . 1 1 2 2 DT H72 H 1 1.716 0.003 . 1 . . . . 2 T H7 . 15860 2 22 . 1 1 2 2 DT H73 H 1 1.716 0.003 . 1 . . . . 2 T H7 . 15860 2 23 . 1 1 3 3 DA H1' H 1 5.891 0.003 . 1 . . . . 3 A H1' . 15860 2 24 . 1 1 3 3 DA H2 H 1 7.007 0.001 . 1 . . . . 3 A H2 . 15860 2 25 . 1 1 3 3 DA H2' H 1 2.758 0.002 . 1 . . . . 3 A H2' . 15860 2 26 . 1 1 3 3 DA H2'' H 1 2.869 0.002 . 1 . . . . 3 A H2'' . 15860 2 27 . 1 1 3 3 DA H3' H 1 5.004 0.001 . 1 . . . . 3 A H3' . 15860 2 28 . 1 1 3 3 DA H4' H 1 4.367 0.002 . 1 . . . . 3 A H4' . 15860 2 29 . 1 1 3 3 DA H5' H 1 4.030 0.003 . 1 . . . . 3 A H5' . 15860 2 30 . 1 1 3 3 DA H5'' H 1 4.094 0.002 . 1 . . . . 3 A H5'' . 15860 2 31 . 1 1 3 3 DA H8 H 1 8.266 0.001 . 1 . . . . 3 A H8 . 15860 2 32 . 1 1 4 4 DA H1' H 1 6.154 0.002 . 1 . . . . 4 A H1' . 15860 2 33 . 1 1 4 4 DA H2 H 1 7.581 0.003 . 1 . . . . 4 A H2 . 15860 2 34 . 1 1 4 4 DA H2' H 1 2.560 0.002 . 1 . . . . 4 A H2' . 15860 2 35 . 1 1 4 4 DA H2'' H 1 2.863 0.003 . 1 . . . . 4 A H2'' . 15860 2 36 . 1 1 4 4 DA H3' H 1 4.950 0.001 . 1 . . . . 4 A H3' . 15860 2 37 . 1 1 4 4 DA H4' H 1 4.438 0.001 . 1 . . . . 4 A H4' . 15860 2 38 . 1 1 4 4 DA H5' H 1 4.205 0.001 . 1 . . . . 4 A H5' . 15860 2 39 . 1 1 4 4 DA H5'' H 1 4.226 0.002 . 1 . . . . 4 A H5'' . 15860 2 40 . 1 1 4 4 DA H8 H 1 8.143 0.002 . 1 . . . . 4 A H8 . 15860 2 41 . 1 1 5 5 DT H1' H 1 5.866 0.002 . 1 . . . . 5 T H1' . 15860 2 42 . 1 1 5 5 DT H2' H 1 1.959 0.001 . 1 . . . . 5 T H2' . 15860 2 43 . 1 1 5 5 DT H2'' H 1 2.488 0.002 . 1 . . . . 5 T H2'' . 15860 2 44 . 1 1 5 5 DT H3' H 1 4.772 0.002 . 1 . . . . 5 T H3' . 15860 2 45 . 1 1 5 5 DT H4' H 1 4.138 0.001 . 1 . . . . 5 T H4' . 15860 2 46 . 1 1 5 5 DT H5' H 1 4.104 0.001 . 1 . . . . 5 T H5' . 15860 2 47 . 1 1 5 5 DT H5'' H 1 4.255 0.002 . 1 . . . . 5 T H5'' . 15860 2 48 . 1 1 5 5 DT H6 H 1 7.113 0.002 . 1 . . . . 5 T H6 . 15860 2 49 . 1 1 5 5 DT H71 H 1 1.260 0.002 . 1 . . . . 5 T H7 . 15860 2 50 . 1 1 5 5 DT H72 H 1 1.260 0.002 . 1 . . . . 5 T H7 . 15860 2 51 . 1 1 5 5 DT H73 H 1 1.260 0.002 . 1 . . . . 5 T H7 . 15860 2 52 . 1 1 6 6 DT H1' H 1 6.066 0.002 . 1 . . . . 6 T H1' . 15860 2 53 . 1 1 6 6 DT H2' H 1 2.044 0.002 . 1 . . . . 6 T H2' . 15860 2 54 . 1 1 6 6 DT H2'' H 1 2.478 0.002 . 1 . . . . 6 T H2'' . 15860 2 55 . 1 1 6 6 DT H3' H 1 4.820 0.002 . 1 . . . . 6 T H3' . 15860 2 56 . 1 1 6 6 DT H4' H 1 4.119 0.001 . 1 . . . . 6 T H4' . 15860 2 57 . 1 1 6 6 DT H5' H 1 4.157 0.001 . 1 . . . . 6 T H5' . 15860 2 58 . 1 1 6 6 DT H5'' H 1 4.039 0.002 . 1 . . . . 6 T H5'' . 15860 2 59 . 1 1 6 6 DT H6 H 1 7.377 0.001 . 1 . . . . 6 T H6 . 15860 2 60 . 1 1 6 6 DT H71 H 1 1.541 0.002 . 1 . . . . 6 T H7 . 15860 2 61 . 1 1 6 6 DT H72 H 1 1.541 0.002 . 1 . . . . 6 T H7 . 15860 2 62 . 1 1 6 6 DT H73 H 1 1.541 0.002 . 1 . . . . 6 T H7 . 15860 2 63 . 1 1 7 7 DT H1' H 1 6.009 0.002 . 1 . . . . 7 T H1' . 15860 2 64 . 1 1 7 7 DT H2' H 1 2.090 0.002 . 1 . . . . 7 T H2' . 15860 2 65 . 1 1 7 7 DT H2'' H 1 2.229 0.002 . 1 . . . . 7 T H2'' . 15860 2 66 . 1 1 7 7 DT H3' H 1 4.834 0.003 . 1 . . . . 7 T H3' . 15860 2 67 . 1 1 7 7 DT H4' H 1 4.178 0.001 . 1 . . . . 7 T H4' . 15860 2 68 . 1 1 7 7 DT H5' H 1 4.117 0.001 . 1 . . . . 7 T H5' . 15860 2 69 . 1 1 7 7 DT H5'' H 1 4.032 0.002 . 1 . . . . 7 T H5'' . 15860 2 70 . 1 1 7 7 DT H6 H 1 7.232 0.002 . 1 . . . . 7 T H6 . 15860 2 71 . 1 1 7 7 DT H71 H 1 1.528 0.002 . 1 . . . . 7 T H7 . 15860 2 72 . 1 1 7 7 DT H72 H 1 1.528 0.002 . 1 . . . . 7 T H7 . 15860 2 73 . 1 1 7 7 DT H73 H 1 1.528 0.002 . 1 . . . . 7 T H7 . 15860 2 74 . 1 1 8 8 D33 H1' H 1 6.162 0.002 . 1 . . . . 8 X H1' . 15860 2 75 . 1 1 8 8 D33 H2'1 H 1 2.414 0.003 . 1 . . . . 8 X H2' . 15860 2 76 . 1 1 8 8 D33 H2'2 H 1 2.570 0.002 . 1 . . . . 8 X H2'' . 15860 2 77 . 1 1 8 8 D33 H4' H 1 4.333 0.002 . 1 . . . . 8 X H4' . 15860 2 78 . 1 1 8 8 D33 H5 H 1 7.488 0.001 . 1 . . . . 8 X H5 . 15860 2 79 . 1 1 8 8 D33 H5'2 H 1 4.034 0.002 . 1 . . . . 8 X H5'' . 15860 2 80 . 1 1 9 9 D33 H1' H 1 5.432 0.002 . 1 . . . . 9 X H1' . 15860 2 81 . 1 1 9 9 D33 H2'1 H 1 1.963 0.002 . 1 . . . . 9 X H2' . 15860 2 82 . 1 1 9 9 D33 H2'2 H 1 2.099 0.002 . 1 . . . . 9 X H2'' . 15860 2 83 . 1 1 9 9 D33 H3' H 1 4.508 0.002 . 1 . . . . 9 X H3' . 15860 2 84 . 1 1 9 9 D33 H4 H 1 6.908 0.002 . 1 . . . . 9 X H4 . 15860 2 85 . 1 1 9 9 D33 H4' H 1 3.687 0.002 . 1 . . . . 9 X H4' . 15860 2 86 . 1 1 9 9 D33 H5 H 1 6.960 0.001 . 1 . . . . 9 X H5 . 15860 2 87 . 1 1 9 9 D33 H5'1 H 1 3.780 0.002 . 1 . . . . 9 X H5' . 15860 2 88 . 1 1 9 9 D33 H5'2 H 1 3.688 0.001 . 1 . . . . 9 X H5'' . 15860 2 89 . 1 1 10 10 D33 H1' H 1 5.573 0.002 . 1 . . . . 10 X H1' . 15860 2 90 . 1 1 10 10 D33 H2'1 H 1 2.092 0.001 . 1 . . . . 10 X H2' . 15860 2 91 . 1 1 10 10 D33 H2'2 H 1 2.218 0.001 . 1 . . . . 10 X H2'' . 15860 2 92 . 1 1 10 10 D33 H3' H 1 4.513 0.002 . 1 . . . . 10 X H3' . 15860 2 93 . 1 1 10 10 D33 H4 H 1 6.820 0.001 . 1 . . . . 10 X H4 . 15860 2 94 . 1 1 10 10 D33 H4' H 1 3.223 0.001 . 1 . . . . 10 X H4' . 15860 2 95 . 1 1 10 10 D33 H5 H 1 7.073 0.001 . 1 . . . . 10 X H5 . 15860 2 96 . 1 1 10 10 D33 H5'1 H 1 2.886 0.001 . 1 . . . . 10 X H5' . 15860 2 97 . 1 1 10 10 D33 H5'2 H 1 3.401 0.002 . 1 . . . . 10 X H5'' . 15860 2 98 . 1 1 11 11 DA H1' H 1 5.832 0.002 . 1 . . . . 11 A H1' . 15860 2 99 . 1 1 11 11 DA H2 H 1 7.412 0.001 . 1 . . . . 11 A H2 . 15860 2 100 . 1 1 11 11 DA H2' H 1 2.793 0.002 . 1 . . . . 11 A H2' . 15860 2 101 . 1 1 11 11 DA H2'' H 1 2.939 0.002 . 1 . . . . 11 A H2'' . 15860 2 102 . 1 1 11 11 DA H3' H 1 4.833 0.001 . 1 . . . . 11 A H3' . 15860 2 103 . 1 1 11 11 DA H4' H 1 4.295 0.002 . 1 . . . . 11 A H4' . 15860 2 104 . 1 1 11 11 DA H5' H 1 3.938 0.002 . 1 . . . . 11 A H5' . 15860 2 105 . 1 1 11 11 DA H5'' H 1 3.835 0.002 . 1 . . . . 11 A H5'' . 15860 2 106 . 1 1 11 11 DA H8 H 1 8.213 0.002 . 1 . . . . 11 A H8 . 15860 2 107 . 1 1 12 12 DA H1' H 1 5.841 0.002 . 1 . . . . 12 A H1' . 15860 2 108 . 1 1 12 12 DA H2 H 1 7.130 0.002 . 1 . . . . 12 A H2 . 15860 2 109 . 1 1 12 12 DA H2' H 1 2.649 0.001 . 1 . . . . 12 A H2' . 15860 2 110 . 1 1 12 12 DA H2'' H 1 2.817 0.002 . 1 . . . . 12 A H2'' . 15860 2 111 . 1 1 12 12 DA H3' H 1 4.983 0.003 . 1 . . . . 12 A H3' . 15860 2 112 . 1 1 12 12 DA H4' H 1 4.375 0.002 . 1 . . . . 12 A H4' . 15860 2 113 . 1 1 12 12 DA H5' H 1 4.143 0.001 . 1 . . . . 12 A H5' . 15860 2 114 . 1 1 12 12 DA H5'' H 1 4.129 0.001 . 1 . . . . 12 A H5'' . 15860 2 115 . 1 1 12 12 DA H8 H 1 8.099 0.002 . 1 . . . . 12 A H8 . 15860 2 116 . 1 1 13 13 DA H1' H 1 6.133 0.002 . 1 . . . . 13 A H1' . 15860 2 117 . 1 1 13 13 DA H2 H 1 7.615 0.001 . 1 . . . . 13 A H2 . 15860 2 118 . 1 1 13 13 DA H2' H 1 2.521 0.001 . 1 . . . . 13 A H2' . 15860 2 119 . 1 1 13 13 DA H2'' H 1 2.842 0.002 . 1 . . . . 13 A H2'' . 15860 2 120 . 1 1 13 13 DA H3' H 1 4.930 0.002 . 1 . . . . 13 A H3' . 15860 2 121 . 1 1 13 13 DA H4' H 1 4.242 0.001 . 1 . . . . 13 A H4' . 15860 2 122 . 1 1 13 13 DA H5' H 1 4.079 0.001 . 1 . . . . 13 A H5' . 15860 2 123 . 1 1 13 13 DA H5'' H 1 4.122 0.002 . 1 . . . . 13 A H5'' . 15860 2 124 . 1 1 13 13 DA H8 H 1 8.079 0.002 . 1 . . . . 13 A H8 . 15860 2 125 . 1 1 14 14 DT H1' H 1 5.817 0.002 . 1 . . . . 14 T H1' . 15860 2 126 . 1 1 14 14 DT H2' H 1 1.852 0.002 . 1 . . . . 14 T H2' . 15860 2 127 . 1 1 14 14 DT H2'' H 1 2.409 0.002 . 1 . . . . 14 T H2'' . 15860 2 128 . 1 1 14 14 DT H3' H 1 4.762 0.002 . 1 . . . . 14 T H3' . 15860 2 129 . 1 1 14 14 DT H4' H 1 4.128 0.002 . 1 . . . . 14 T H4' . 15860 2 130 . 1 1 14 14 DT H5' H 1 4.106 0.002 . 1 . . . . 14 T H5' . 15860 2 131 . 1 1 14 14 DT H5'' H 1 4.268 0.001 . 1 . . . . 14 T H5'' . 15860 2 132 . 1 1 14 14 DT H6 H 1 7.052 0.002 . 1 . . . . 14 T H6 . 15860 2 133 . 1 1 14 14 DT H71 H 1 1.226 0.002 . 1 . . . . 14 T H7 . 15860 2 134 . 1 1 14 14 DT H72 H 1 1.226 0.002 . 1 . . . . 14 T H7 . 15860 2 135 . 1 1 14 14 DT H73 H 1 1.226 0.002 . 1 . . . . 14 T H7 . 15860 2 136 . 1 1 15 15 DT H1' H 1 5.628 0.002 . 1 . . . . 15 T H1' . 15860 2 137 . 1 1 15 15 DT H2' H 1 1.782 0.003 . 1 . . . . 15 T H2' . 15860 2 138 . 1 1 15 15 DT H2'' H 1 2.195 0.002 . 1 . . . . 15 T H2'' . 15860 2 139 . 1 1 15 15 DT H3' H 1 4.763 0.001 . 1 . . . . 15 T H3' . 15860 2 140 . 1 1 15 15 DT H4' H 1 4.021 0.002 . 1 . . . . 15 T H4' . 15860 2 141 . 1 1 15 15 DT H5' H 1 3.991 0.002 . 1 . . . . 15 T H5' . 15860 2 142 . 1 1 15 15 DT H5'' H 1 4.044 0.001 . 1 . . . . 15 T H5'' . 15860 2 143 . 1 1 15 15 DT H6 H 1 7.178 0.001 . 1 . . . . 15 T H6 . 15860 2 144 . 1 1 15 15 DT H71 H 1 1.551 0.002 . 1 . . . . 15 T H7 . 15860 2 145 . 1 1 15 15 DT H72 H 1 1.551 0.002 . 1 . . . . 15 T H7 . 15860 2 146 . 1 1 15 15 DT H73 H 1 1.551 0.002 . 1 . . . . 15 T H7 . 15860 2 147 . 1 1 16 16 DA H1' H 1 5.867 0.003 . 1 . . . . 16 A H1' . 15860 2 148 . 1 1 16 16 DA H2 H 1 7.282 0.002 . 1 . . . . 16 A H2 . 15860 2 149 . 1 1 16 16 DA H2' H 1 2.571 0.003 . 1 . . . . 16 A H2' . 15860 2 150 . 1 1 16 16 DA H2'' H 1 2.676 0.003 . 1 . . . . 16 A H2'' . 15860 2 151 . 1 1 16 16 DA H3' H 1 4.926 0.001 . 1 . . . . 16 A H3' . 15860 2 152 . 1 1 16 16 DA H4' H 1 4.275 0.002 . 1 . . . . 16 A H4' . 15860 2 153 . 1 1 16 16 DA H5' H 1 4.038 0.002 . 1 . . . . 16 A H5' . 15860 2 154 . 1 1 16 16 DA H5'' H 1 3.982 0.003 . 1 . . . . 16 A H5'' . 15860 2 155 . 1 1 16 16 DA H8 H 1 8.031 0.002 . 1 . . . . 16 A H8 . 15860 2 156 . 1 1 17 17 DA H1' H 1 6.121 0.002 . 1 . . . . 17 A H1' . 15860 2 157 . 1 1 17 17 DA H2 H 1 7.640 0.002 . 1 . . . . 17 A H2 . 15860 2 158 . 1 1 17 17 DA H2' H 1 2.485 0.002 . 1 . . . . 17 A H2' . 15860 2 159 . 1 1 17 17 DA H2'' H 1 2.283 0.002 . 1 . . . . 17 A H2'' . 15860 2 160 . 1 1 17 17 DA H3' H 1 4.599 0.003 . 1 . . . . 17 A H3' . 15860 2 161 . 1 1 17 17 DA H4' H 1 4.130 0.002 . 1 . . . . 17 A H4' . 15860 2 162 . 1 1 17 17 DA H5' H 1 4.184 0.003 . 1 . . . . 17 A H5' . 15860 2 163 . 1 1 17 17 DA H5'' H 1 4.058 0.002 . 1 . . . . 17 A H5'' . 15860 2 164 . 1 1 17 17 DA H8 H 1 8.011 0.002 . 1 . . . . 17 A H8 . 15860 2 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_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 15860 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5 _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 9 '2D 1H-1H NOESY' . . . 15860 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5.927 0.001 . 1 . . . . 1 T H1' . 15860 3 2 . 1 1 1 1 DT H2' H 1 2.044 0.002 . 1 . . . . 1 T H2' . 15860 3 3 . 1 1 1 1 DT H2'' H 1 2.416 0.002 . 1 . . . . 1 T H2'' . 15860 3 4 . 1 1 1 1 DT H3' H 1 4.629 0.002 . 1 . . . . 1 T H3' . 15860 3 5 . 1 1 1 1 DT H4' H 1 4.023 0.002 . 1 . . . . 1 T H4' . 15860 3 6 . 1 1 1 1 DT H5' H 1 3.659 0.002 . 1 . . . . 1 T H5' . 15860 3 7 . 1 1 1 1 DT H5'' H 1 3.658 0.002 . 1 . . . . 1 T H5'' . 15860 3 8 . 1 1 1 1 DT H6 H 1 7.469 0.002 . 1 . . . . 1 T H6 . 15860 3 9 . 1 1 1 1 DT H71 H 1 1.633 0.002 . 1 . . . . 1 T H7 . 15860 3 10 . 1 1 1 1 DT H72 H 1 1.633 0.002 . 1 . . . . 1 T H7 . 15860 3 11 . 1 1 1 1 DT H73 H 1 1.633 0.002 . 1 . . . . 1 T H7 . 15860 3 12 . 1 1 2 2 DT H1' H 1 5.541 0.003 . 1 . . . . 2 T H1' . 15860 3 13 . 1 1 2 2 DT H2' H 1 2.032 0.002 . 1 . . . . 2 T H2' . 15860 3 14 . 1 1 2 2 DT H2'' H 1 2.331 0.002 . 1 . . . . 2 T H2'' . 15860 3 15 . 1 1 2 2 DT H3' H 1 4.784 0.003 . 1 . . . . 2 T H3' . 15860 3 16 . 1 1 2 2 DT H4' H 1 4.075 0.002 . 1 . . . . 2 T H4' . 15860 3 17 . 1 1 2 2 DT H5' H 1 4.011 0.003 . 1 . . . . 2 T H5' . 15860 3 18 . 1 1 2 2 DT H5'' H 1 3.952 0.002 . 1 . . . . 2 T H5'' . 15860 3 19 . 1 1 2 2 DT H6 H 1 7.425 0.002 . 1 . . . . 2 T H6 . 15860 3 20 . 1 1 2 2 DT H71 H 1 1.705 0.002 . 1 . . . . 2 T H7 . 15860 3 21 . 1 1 2 2 DT H72 H 1 1.705 0.002 . 1 . . . . 2 T H7 . 15860 3 22 . 1 1 2 2 DT H73 H 1 1.705 0.002 . 1 . . . . 2 T H7 . 15860 3 23 . 1 1 3 3 DA H1' H 1 5.875 0.002 . 1 . . . . 3 A H1' . 15860 3 24 . 1 1 3 3 DA H2 H 1 7.043 0.002 . 1 . . . . 3 A H2 . 15860 3 25 . 1 1 3 3 DA H2' H 1 2.759 0.003 . 1 . . . . 3 A H2' . 15860 3 26 . 1 1 3 3 DA H2'' H 1 2.861 0.003 . 1 . . . . 3 A H2'' . 15860 3 27 . 1 1 3 3 DA H3' H 1 4.995 0.002 . 1 . . . . 3 A H3' . 15860 3 28 . 1 1 3 3 DA H4' H 1 4.361 0.002 . 1 . . . . 3 A H4' . 15860 3 29 . 1 1 3 3 DA H5' H 1 4.016 0.002 . 1 . . . . 3 A H5' . 15860 3 30 . 1 1 3 3 DA H5'' H 1 4.076 0.003 . 1 . . . . 3 A H5'' . 15860 3 31 . 1 1 3 3 DA H8 H 1 8.257 0.002 . 1 . . . . 3 A H8 . 15860 3 32 . 1 1 4 4 DA H1' H 1 6.147 0.002 . 1 . . . . 4 A H1' . 15860 3 33 . 1 1 4 4 DA H2 H 1 7.587 0.001 . 1 . . . . 4 A H2 . 15860 3 34 . 1 1 4 4 DA H2' H 1 2.566 0.001 . 1 . . . . 4 A H2' . 15860 3 35 . 1 1 4 4 DA H2'' H 1 2.857 0.002 . 1 . . . . 4 A H2'' . 15860 3 36 . 1 1 4 4 DA H3' H 1 4.952 0.002 . 1 . . . . 4 A H3' . 15860 3 37 . 1 1 4 4 DA H4' H 1 4.431 0.003 . 1 . . . . 4 A H4' . 15860 3 38 . 1 1 4 4 DA H5' H 1 4.197 0.002 . 1 . . . . 4 A H5' . 15860 3 39 . 1 1 4 4 DA H5'' H 1 4.217 0.002 . 1 . . . . 4 A H5'' . 15860 3 40 . 1 1 4 4 DA H8 H 1 8.150 0.002 . 1 . . . . 4 A H8 . 15860 3 41 . 1 1 5 5 DT H1' H 1 5.859 0.002 . 1 . . . . 5 T H1' . 15860 3 42 . 1 1 5 5 DT H2' H 1 1.975 0.003 . 1 . . . . 5 T H2' . 15860 3 43 . 1 1 5 5 DT H2'' H 1 2.490 0.002 . 1 . . . . 5 T H2'' . 15860 3 44 . 1 1 5 5 DT H3' H 1 4.759 0.002 . 1 . . . . 5 T H3' . 15860 3 45 . 1 1 5 5 DT H4' H 1 4.129 0.002 . 1 . . . . 5 T H4' . 15860 3 46 . 1 1 5 5 DT H5' H 1 4.087 0.002 . 1 . . . . 5 T H5' . 15860 3 47 . 1 1 5 5 DT H5'' H 1 4.245 0.003 . 1 . . . . 5 T H5'' . 15860 3 48 . 1 1 5 5 DT H6 H 1 7.113 0.002 . 1 . . . . 5 T H6 . 15860 3 49 . 1 1 5 5 DT H71 H 1 1.260 0.003 . 1 . . . . 5 T H7 . 15860 3 50 . 1 1 5 5 DT H72 H 1 1.260 0.003 . 1 . . . . 5 T H7 . 15860 3 51 . 1 1 5 5 DT H73 H 1 1.260 0.003 . 1 . . . . 5 T H7 . 15860 3 52 . 1 1 6 6 DT H1' H 1 6.073 0.002 . 1 . . . . 6 T H1' . 15860 3 53 . 1 1 6 6 DT H2' H 1 2.081 0.003 . 1 . . . . 6 T H2' . 15860 3 54 . 1 1 6 6 DT H2'' H 1 2.495 0.002 . 1 . . . . 6 T H2'' . 15860 3 55 . 1 1 6 6 DT H3' H 1 4.812 0.002 . 1 . . . . 6 T H3' . 15860 3 56 . 1 1 6 6 DT H4' H 1 4.135 0.003 . 1 . . . . 6 T H4' . 15860 3 57 . 1 1 6 6 DT H5' H 1 4.152 0.003 . 1 . . . . 6 T H5' . 15860 3 58 . 1 1 6 6 DT H5'' H 1 4.040 0.003 . 1 . . . . 6 T H5'' . 15860 3 59 . 1 1 6 6 DT H6 H 1 7.389 0.002 . 1 . . . . 6 T H6 . 15860 3 60 . 1 1 6 6 DT H71 H 1 1.517 0.002 . 1 . . . . 6 T H7 . 15860 3 61 . 1 1 6 6 DT H72 H 1 1.517 0.002 . 1 . . . . 6 T H7 . 15860 3 62 . 1 1 6 6 DT H73 H 1 1.517 0.002 . 1 . . . . 6 T H7 . 15860 3 63 . 1 1 7 7 DT H1' H 1 5.966 0.002 . 1 . . . . 7 T H1' . 15860 3 64 . 1 1 7 7 DT H2' H 1 2.094 0.002 . 1 . . . . 7 T H2' . 15860 3 65 . 1 1 7 7 DT H2'' H 1 2.189 0.002 . 1 . . . . 7 T H2'' . 15860 3 66 . 1 1 7 7 DT H3' H 1 4.843 0.002 . 1 . . . . 7 T H3' . 15860 3 67 . 1 1 7 7 DT H4' H 1 4.195 0.002 . 1 . . . . 7 T H4' . 15860 3 68 . 1 1 7 7 DT H5' H 1 4.139 0.003 . 1 . . . . 7 T H5' . 15860 3 69 . 1 1 7 7 DT H5'' H 1 4.039 0.004 . 1 . . . . 7 T H5'' . 15860 3 70 . 1 1 7 7 DT H6 H 1 7.283 0.002 . 1 . . . . 7 T H6 . 15860 3 71 . 1 1 7 7 DT H71 H 1 1.471 0.002 . 1 . . . . 7 T H7 . 15860 3 72 . 1 1 7 7 DT H72 H 1 1.471 0.002 . 1 . . . . 7 T H7 . 15860 3 73 . 1 1 7 7 DT H73 H 1 1.471 0.002 . 1 . . . . 7 T H7 . 15860 3 74 . 1 1 8 8 D33 H1' H 1 6.349 0.002 . 1 . . . . 8 X H1' . 15860 3 75 . 1 1 8 8 D33 H2 H 1 8.960 0.002 . 1 . . . . 8 X H2 . 15860 3 76 . 1 1 8 8 D33 H2'1 H 1 2.585 0.003 . 1 . . . . 8 X H2' . 15860 3 77 . 1 1 8 8 D33 H2'2 H 1 2.741 0.003 . 1 . . . . 8 X H2'' . 15860 3 78 . 1 1 8 8 D33 H4 H 1 7.667 0.002 . 1 . . . . 8 X H4 . 15860 3 79 . 1 1 8 8 D33 H4' H 1 4.433 0.001 . 1 . . . . 8 X H4' . 15860 3 80 . 1 1 8 8 D33 H5 H 1 7.751 0.002 . 1 . . . . 8 X H5 . 15860 3 81 . 1 1 8 8 D33 H5'1 H 1 4.107 0.002 . 1 . . . . 8 X H5' . 15860 3 82 . 1 1 8 8 D33 H5'2 H 1 4.128 0.003 . 1 . . . . 8 X H5'' . 15860 3 83 . 1 1 9 9 D33 H1' H 1 5.776 0.002 . 1 . . . . 9 X H1' . 15860 3 84 . 1 1 9 9 D33 H2 H 1 8.701 0.001 . 1 . . . . 9 X H2 . 15860 3 85 . 1 1 9 9 D33 H2'1 H 1 2.183 0.002 . 1 . . . . 9 X H2' . 15860 3 86 . 1 1 9 9 D33 H2'2 H 1 2.376 0.002 . 1 . . . . 9 X H2'' . 15860 3 87 . 1 1 9 9 D33 H3' H 1 4.629 0.001 . 1 . . . . 9 X H3' . 15860 3 88 . 1 1 9 9 D33 H4 H 1 7.404 0.002 . 1 . . . . 9 X H4 . 15860 3 89 . 1 1 9 9 D33 H4' H 1 3.651 0.002 . 1 . . . . 9 X H4' . 15860 3 90 . 1 1 9 9 D33 H5 H 1 7.453 0.002 . 1 . . . . 9 X H5 . 15860 3 91 . 1 1 9 9 D33 H5'1 H 1 3.878 0.002 . 1 . . . . 9 X H5' . 15860 3 92 . 1 1 9 9 D33 H5'2 H 1 3.755 0.002 . 1 . . . . 9 X H5'' . 15860 3 93 . 1 1 10 10 D33 H1' H 1 5.774 0.002 . 1 . . . . 10 X H1' . 15860 3 94 . 1 1 10 10 D33 H2 H 1 8.579 0.002 . 1 . . . . 10 X H2 . 15860 3 95 . 1 1 10 10 D33 H2'1 H 1 2.134 0.002 . 1 . . . . 10 X H2' . 15860 3 96 . 1 1 10 10 D33 H2'2 H 1 2.406 0.002 . 1 . . . . 10 X H2'' . 15860 3 97 . 1 1 10 10 D33 H3' H 1 4.546 0.002 . 1 . . . . 10 X H3' . 15860 3 98 . 1 1 10 10 D33 H4 H 1 7.305 0.002 . 1 . . . . 10 X H4 . 15860 3 99 . 1 1 10 10 D33 H4' H 1 3.560 0.001 . 1 . . . . 10 X H4' . 15860 3 100 . 1 1 10 10 D33 H5 H 1 7.350 0.001 . 1 . . . . 10 X H5 . 15860 3 101 . 1 1 10 10 D33 H5'1 H 1 2.837 0.002 . 1 . . . . 10 X H5' . 15860 3 102 . 1 1 10 10 D33 H5'2 H 1 3.353 0.002 . 1 . . . . 10 X H5'' . 15860 3 103 . 1 1 11 11 DA H1' H 1 5.869 0.003 . 1 . . . . 11 A H1' . 15860 3 104 . 1 1 11 11 DA H2 H 1 7.448 0.002 . 1 . . . . 11 A H2 . 15860 3 105 . 1 1 11 11 DA H2' H 1 2.793 0.002 . 1 . . . . 11 A H2' . 15860 3 106 . 1 1 11 11 DA H2'' H 1 2.932 0.003 . 1 . . . . 11 A H2'' . 15860 3 107 . 1 1 11 11 DA H3' H 1 4.819 0.002 . 1 . . . . 11 A H3' . 15860 3 108 . 1 1 11 11 DA H4' H 1 4.291 0.003 . 1 . . . . 11 A H4' . 15860 3 109 . 1 1 11 11 DA H5' H 1 3.963 0.002 . 1 . . . . 11 A H5' . 15860 3 110 . 1 1 11 11 DA H5'' H 1 3.828 0.002 . 1 . . . . 11 A H5'' . 15860 3 111 . 1 1 11 11 DA H8 H 1 8.176 0.002 . 1 . . . . 11 A H8 . 15860 3 112 . 1 1 12 12 DA H1' H 1 5.869 0.003 . 1 . . . . 12 A H1' . 15860 3 113 . 1 1 12 12 DA H2 H 1 7.120 0.002 . 1 . . . . 12 A H2 . 15860 3 114 . 1 1 12 12 DA H2' H 1 2.645 0.003 . 1 . . . . 12 A H2' . 15860 3 115 . 1 1 12 12 DA H2'' H 1 2.819 0.002 . 1 . . . . 12 A H2'' . 15860 3 116 . 1 1 12 12 DA H3' H 1 4.982 0.001 . 1 . . . . 12 A H3' . 15860 3 117 . 1 1 12 12 DA H4' H 1 4.375 0.002 . 1 . . . . 12 A H4' . 15860 3 118 . 1 1 12 12 DA H5' H 1 4.140 0.000 . 1 . . . . 12 A H5' . 15860 3 119 . 1 1 12 12 DA H5'' H 1 4.134 0.002 . 1 . . . . 12 A H5'' . 15860 3 120 . 1 1 12 12 DA H8 H 1 8.091 0.002 . 1 . . . . 12 A H8 . 15860 3 121 . 1 1 13 13 DA H1' H 1 6.116 0.002 . 1 . . . . 13 A H1' . 15860 3 122 . 1 1 13 13 DA H2 H 1 7.603 0.002 . 1 . . . . 13 A H2 . 15860 3 123 . 1 1 13 13 DA H2' H 1 2.505 0.002 . 1 . . . . 13 A H2' . 15860 3 124 . 1 1 13 13 DA H2'' H 1 2.843 0.002 . 1 . . . . 13 A H2'' . 15860 3 125 . 1 1 13 13 DA H3' H 1 4.924 0.002 . 1 . . . . 13 A H3' . 15860 3 126 . 1 1 13 13 DA H4' H 1 4.250 0.002 . 1 . . . . 13 A H4' . 15860 3 127 . 1 1 13 13 DA H5' H 1 4.058 0.002 . 1 . . . . 13 A H5' . 15860 3 128 . 1 1 13 13 DA H5'' H 1 4.130 0.002 . 1 . . . . 13 A H5'' . 15860 3 129 . 1 1 13 13 DA H8 H 1 8.058 0.003 . 1 . . . . 13 A H8 . 15860 3 130 . 1 1 14 14 DT H1' H 1 5.826 0.002 . 1 . . . . 14 T H1' . 15860 3 131 . 1 1 14 14 DT H2' H 1 1.861 0.003 . 1 . . . . 14 T H2' . 15860 3 132 . 1 1 14 14 DT H2'' H 1 2.414 0.002 . 1 . . . . 14 T H2'' . 15860 3 133 . 1 1 14 14 DT H3' H 1 4.764 0.001 . 1 . . . . 14 T H3' . 15860 3 134 . 1 1 14 14 DT H4' H 1 4.135 0.002 . 1 . . . . 14 T H4' . 15860 3 135 . 1 1 14 14 DT H5' H 1 4.105 0.002 . 1 . . . . 14 T H5' . 15860 3 136 . 1 1 14 14 DT H5'' H 1 4.270 0.002 . 1 . . . . 14 T H5'' . 15860 3 137 . 1 1 14 14 DT H6 H 1 7.052 0.003 . 1 . . . . 14 T H6 . 15860 3 138 . 1 1 14 14 DT H71 H 1 1.206 0.002 . 1 . . . . 14 T H7 . 15860 3 139 . 1 1 14 14 DT H72 H 1 1.206 0.002 . 1 . . . . 14 T H7 . 15860 3 140 . 1 1 14 14 DT H73 H 1 1.206 0.002 . 1 . . . . 14 T H7 . 15860 3 141 . 1 1 15 15 DT H1' H 1 5.645 0.002 . 1 . . . . 15 T H1' . 15860 3 142 . 1 1 15 15 DT H2' H 1 1.797 0.002 . 1 . . . . 15 T H2' . 15860 3 143 . 1 1 15 15 DT H2'' H 1 2.201 0.003 . 1 . . . . 15 T H2'' . 15860 3 144 . 1 1 15 15 DT H3' H 1 4.766 0.001 . 1 . . . . 15 T H3' . 15860 3 145 . 1 1 15 15 DT H4' H 1 4.024 0.002 . 1 . . . . 15 T H4' . 15860 3 146 . 1 1 15 15 DT H5' H 1 3.989 0.003 . 1 . . . . 15 T H5' . 15860 3 147 . 1 1 15 15 DT H5'' H 1 4.043 0.002 . 1 . . . . 15 T H5'' . 15860 3 148 . 1 1 15 15 DT H6 H 1 7.179 0.002 . 1 . . . . 15 T H6 . 15860 3 149 . 1 1 15 15 DT H71 H 1 1.542 0.002 . 1 . . . . 15 T H7 . 15860 3 150 . 1 1 15 15 DT H72 H 1 1.542 0.002 . 1 . . . . 15 T H7 . 15860 3 151 . 1 1 15 15 DT H73 H 1 1.542 0.002 . 1 . . . . 15 T H7 . 15860 3 152 . 1 1 16 16 DA H1' H 1 5.892 0.003 . 1 . . . . 16 A H1' . 15860 3 153 . 1 1 16 16 DA H2 H 1 7.368 0.001 . 1 . . . . 16 A H2 . 15860 3 154 . 1 1 16 16 DA H2' H 1 2.576 0.002 . 1 . . . . 16 A H2' . 15860 3 155 . 1 1 16 16 DA H2'' H 1 2.647 0.002 . 1 . . . . 16 A H2'' . 15860 3 156 . 1 1 16 16 DA H3' H 1 4.916 0.002 . 1 . . . . 16 A H3' . 15860 3 157 . 1 1 16 16 DA H4' H 1 4.244 0.001 . 1 . . . . 16 A H4' . 15860 3 158 . 1 1 16 16 DA H5' H 1 4.017 0.002 . 1 . . . . 16 A H5' . 15860 3 159 . 1 1 16 16 DA H5'' H 1 3.956 0.002 . 1 . . . . 16 A H5'' . 15860 3 160 . 1 1 16 16 DA H8 H 1 8.038 0.002 . 1 . . . . 16 A H8 . 15860 3 161 . 1 1 17 17 DA H1' H 1 6.140 0.002 . 1 . . . . 17 A H1' . 15860 3 162 . 1 1 17 17 DA H2 H 1 7.723 0.002 . 1 . . . . 17 A H2 . 15860 3 163 . 1 1 17 17 DA H2' H 1 2.523 0.002 . 1 . . . . 17 A H2' . 15860 3 164 . 1 1 17 17 DA H2'' H 1 2.307 0.002 . 1 . . . . 17 A H2'' . 15860 3 165 . 1 1 17 17 DA H3' H 1 4.611 0.001 . 1 . . . . 17 A H3' . 15860 3 166 . 1 1 17 17 DA H4' H 1 4.128 0.002 . 1 . . . . 17 A H4' . 15860 3 167 . 1 1 17 17 DA H5' H 1 4.170 0.002 . 1 . . . . 17 A H5' . 15860 3 168 . 1 1 17 17 DA H5'' H 1 4.066 0.002 . 1 . . . . 17 A H5'' . 15860 3 169 . 1 1 17 17 DA H8 H 1 8.057 0.002 . 1 . . . . 17 A H8 . 15860 3 stop_ save_