################################### # 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 18022 _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 TOCSY' . . . 18022 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 LYS HA H 1 4.055 0.005 . 1 . . . A 1 LYS HA . 18022 1 2 . 1 1 1 1 LYS HB2 H 1 1.906 0.005 . 2 . . . A 1 LYS HB2 . 18022 1 3 . 1 1 1 1 LYS HB3 H 1 1.906 0.005 . 2 . . . A 1 LYS HB3 . 18022 1 4 . 1 1 1 1 LYS HG2 H 1 1.045 0.005 . 2 . . . A 1 LYS HG2 . 18022 1 5 . 1 1 1 1 LYS HG3 H 1 1.448 0.005 . 2 . . . A 1 LYS HG3 . 18022 1 6 . 1 1 1 1 LYS HD2 H 1 1.690 0.005 . 2 . . . A 1 LYS HD2 . 18022 1 7 . 1 1 1 1 LYS HD3 H 1 1.690 0.005 . 2 . . . A 1 LYS HD3 . 18022 1 8 . 1 1 1 1 LYS HE2 H 1 2.990 0.005 . 2 . . . A 1 LYS HE2 . 18022 1 9 . 1 1 1 1 LYS HE3 H 1 2.990 0.005 . 2 . . . A 1 LYS HE3 . 18022 1 10 . 1 1 3 3 VAL H H 1 8.368 0.005 . 1 . . . A 3 VAL H . 18022 1 11 . 1 1 3 3 VAL HA H 1 4.067 0.005 . 1 . . . A 3 VAL HA . 18022 1 12 . 1 1 3 3 VAL HB H 1 2.070 0.005 . 1 . . . A 3 VAL HB . 18022 1 13 . 1 1 3 3 VAL HG11 H 1 0.927 0.005 . 2 . . . A 3 VAL HG11 . 18022 1 14 . 1 1 3 3 VAL HG12 H 1 0.927 0.005 . 2 . . . A 3 VAL HG12 . 18022 1 15 . 1 1 3 3 VAL HG13 H 1 0.927 0.005 . 2 . . . A 3 VAL HG13 . 18022 1 16 . 1 1 3 3 VAL HG21 H 1 0.927 0.005 . 2 . . . A 3 VAL HG21 . 18022 1 17 . 1 1 3 3 VAL HG22 H 1 0.927 0.005 . 2 . . . A 3 VAL HG22 . 18022 1 18 . 1 1 3 3 VAL HG23 H 1 0.927 0.005 . 2 . . . A 3 VAL HG23 . 18022 1 19 . 1 1 4 4 LYS H H 1 8.540 0.005 . 1 . . . A 4 LYS H . 18022 1 20 . 1 1 4 4 LYS HA H 1 4.277 0.005 . 1 . . . A 4 LYS HA . 18022 1 21 . 1 1 4 4 LYS HB2 H 1 1.809 0.005 . 2 . . . A 4 LYS HB2 . 18022 1 22 . 1 1 4 4 LYS HB3 H 1 1.748 0.005 . 2 . . . A 4 LYS HB3 . 18022 1 23 . 1 1 4 4 LYS HG2 H 1 1.430 0.005 . 2 . . . A 4 LYS HG2 . 18022 1 24 . 1 1 4 4 LYS HG3 H 1 1.395 0.005 . 2 . . . A 4 LYS HG3 . 18022 1 25 . 1 1 4 4 LYS HD2 H 1 1.660 0.005 . 2 . . . A 4 LYS HD2 . 18022 1 26 . 1 1 4 4 LYS HD3 H 1 1.660 0.005 . 2 . . . A 4 LYS HD3 . 18022 1 27 . 1 1 4 4 LYS HE2 H 1 2.972 0.005 . 2 . . . A 4 LYS HE2 . 18022 1 28 . 1 1 4 4 LYS HE3 H 1 2.972 0.005 . 2 . . . A 4 LYS HE3 . 18022 1 29 . 1 1 5 5 ASP H H 1 8.242 0.005 . 1 . . . A 5 ASP H . 18022 1 30 . 1 1 5 5 ASP HA H 1 4.535 0.005 . 1 . . . A 5 ASP HA . 18022 1 31 . 1 1 5 5 ASP HB2 H 1 2.666 0.005 . 2 . . . A 5 ASP HB2 . 18022 1 32 . 1 1 5 5 ASP HB3 H 1 2.580 0.005 . 2 . . . A 5 ASP HB3 . 18022 1 33 . 1 1 6 6 ARG H H 1 8.317 0.005 . 1 . . . A 6 ARG H . 18022 1 34 . 1 1 6 6 ARG HA H 1 4.289 0.005 . 1 . . . A 6 ARG HA . 18022 1 35 . 1 1 6 6 ARG HB2 H 1 1.817 0.005 . 2 . . . A 6 ARG HB2 . 18022 1 36 . 1 1 6 6 ARG HB3 H 1 1.740 0.005 . 2 . . . A 6 ARG HB3 . 18022 1 37 . 1 1 6 6 ARG HG2 H 1 1.590 0.005 . 2 . . . A 6 ARG HG2 . 18022 1 38 . 1 1 6 6 ARG HG3 H 1 1.627 0.005 . 2 . . . A 6 ARG HG3 . 18022 1 39 . 1 1 6 6 ARG HD2 H 1 3.166 0.005 . 2 . . . A 6 ARG HD2 . 18022 1 40 . 1 1 6 6 ARG HD3 H 1 3.166 0.005 . 2 . . . A 6 ARG HD3 . 18022 1 41 . 1 1 6 6 ARG HE H 1 7.256 0.005 . 1 . . . A 6 ARG HE . 18022 1 42 . 1 1 7 7 VAL H H 1 8.297 0.005 . 1 . . . A 7 VAL H . 18022 1 43 . 1 1 7 7 VAL HA H 1 4.033 0.005 . 1 . . . A 7 VAL HA . 18022 1 44 . 1 1 7 7 VAL HB H 1 2.033 0.005 . 1 . . . A 7 VAL HB . 18022 1 45 . 1 1 7 7 VAL HG11 H 1 0.919 0.005 . 2 . . . A 7 VAL HG11 . 18022 1 46 . 1 1 7 7 VAL HG12 H 1 0.919 0.005 . 2 . . . A 7 VAL HG12 . 18022 1 47 . 1 1 7 7 VAL HG13 H 1 0.919 0.005 . 2 . . . A 7 VAL HG13 . 18022 1 48 . 1 1 7 7 VAL HG21 H 1 0.919 0.005 . 2 . . . A 7 VAL HG21 . 18022 1 49 . 1 1 7 7 VAL HG22 H 1 0.919 0.005 . 2 . . . A 7 VAL HG22 . 18022 1 50 . 1 1 7 7 VAL HG23 H 1 0.919 0.005 . 2 . . . A 7 VAL HG23 . 18022 1 51 . 1 1 8 8 LYS H H 1 8.553 0.005 . 1 . . . A 8 LYS H . 18022 1 52 . 1 1 8 8 LYS HA H 1 4.267 0.005 . 1 . . . A 8 LYS HA . 18022 1 53 . 1 1 8 8 LYS HB2 H 1 1.810 0.005 . 2 . . . A 8 LYS HB2 . 18022 1 54 . 1 1 8 8 LYS HB3 H 1 1.750 0.005 . 2 . . . A 8 LYS HB3 . 18022 1 55 . 1 1 8 8 LYS HG2 H 1 1.430 0.005 . 2 . . . A 8 LYS HG2 . 18022 1 56 . 1 1 8 8 LYS HG3 H 1 1.407 0.005 . 2 . . . A 8 LYS HG3 . 18022 1 57 . 1 1 8 8 LYS HD2 H 1 1.666 0.005 . 2 . . . A 8 LYS HD2 . 18022 1 58 . 1 1 8 8 LYS HD3 H 1 1.666 0.005 . 2 . . . A 8 LYS HD3 . 18022 1 59 . 1 1 8 8 LYS HE2 H 1 2.970 0.005 . 2 . . . A 8 LYS HE2 . 18022 1 60 . 1 1 8 8 LYS HE3 H 1 2.970 0.005 . 2 . . . A 8 LYS HE3 . 18022 1 61 . 1 1 9 9 GLY H H 1 8.543 0.005 . 1 . . . A 9 GLY H . 18022 1 62 . 1 1 9 9 GLY HA2 H 1 3.922 0.005 . 2 . . . A 9 GLY HA2 . 18022 1 63 . 1 1 9 9 GLY HA3 H 1 3.973 0.005 . 2 . . . A 9 GLY HA3 . 18022 1 64 . 1 1 10 10 LYS H H 1 8.306 0.005 . 1 . . . A 10 LYS H . 18022 1 65 . 1 1 10 10 LYS HA H 1 4.334 0.005 . 1 . . . A 10 LYS HA . 18022 1 66 . 1 1 10 10 LYS HB2 H 1 1.730 0.005 . 2 . . . A 10 LYS HB2 . 18022 1 67 . 1 1 10 10 LYS HB3 H 1 1.822 0.005 . 2 . . . A 10 LYS HB3 . 18022 1 68 . 1 1 10 10 LYS HG2 H 1 1.433 0.005 . 2 . . . A 10 LYS HG2 . 18022 1 69 . 1 1 10 10 LYS HG3 H 1 1.433 0.005 . 2 . . . A 10 LYS HG3 . 18022 1 70 . 1 1 10 10 LYS HD2 H 1 1.656 0.005 . 2 . . . A 10 LYS HD2 . 18022 1 71 . 1 1 10 10 LYS HD3 H 1 1.656 0.005 . 2 . . . A 10 LYS HD3 . 18022 1 72 . 1 1 10 10 LYS HE2 H 1 2.970 0.005 . 2 . . . A 10 LYS HE2 . 18022 1 73 . 1 1 10 10 LYS HE3 H 1 2.970 0.005 . 2 . . . A 10 LYS HE3 . 18022 1 74 . 1 1 11 11 SER H H 1 8.486 0.005 . 1 . . . A 11 SER H . 18022 1 75 . 1 1 11 11 SER HA H 1 4.430 0.005 . 1 . . . A 11 SER HA . 18022 1 76 . 1 1 11 11 SER HB2 H 1 3.810 0.005 . 2 . . . A 11 SER HB2 . 18022 1 77 . 1 1 11 11 SER HB3 H 1 3.810 0.005 . 2 . . . A 11 SER HB3 . 18022 1 78 . 1 1 12 12 ASP H H 1 8.486 0.005 . 1 . . . A 12 ASP H . 18022 1 79 . 1 1 12 12 ASP HA H 1 4.430 0.005 . 1 . . . A 12 ASP HA . 18022 1 80 . 1 1 12 12 ASP HB2 H 1 2.566 0.005 . 2 . . . A 12 ASP HB2 . 18022 1 81 . 1 1 12 12 ASP HB3 H 1 2.765 0.005 . 2 . . . A 12 ASP HB3 . 18022 1 82 . 1 1 13 13 PRO HA H 1 4.327 0.005 . 1 . . . A 13 PRO HA . 18022 1 83 . 1 1 13 13 PRO HB2 H 1 2.160 0.005 . 2 . . . A 13 PRO HB2 . 18022 1 84 . 1 1 13 13 PRO HB3 H 1 1.918 0.005 . 2 . . . A 13 PRO HB3 . 18022 1 85 . 1 1 13 13 PRO HG2 H 1 1.618 0.005 . 2 . . . A 13 PRO HG2 . 18022 1 86 . 1 1 13 13 PRO HG3 H 1 1.728 0.005 . 2 . . . A 13 PRO HG3 . 18022 1 87 . 1 1 13 13 PRO HD2 H 1 3.811 0.005 . 2 . . . A 13 PRO HD2 . 18022 1 88 . 1 1 13 13 PRO HD3 H 1 3.711 0.005 . 2 . . . A 13 PRO HD3 . 18022 1 89 . 1 1 14 14 TYR H H 1 8.306 0.005 . 1 . . . A 14 TYR H . 18022 1 90 . 1 1 14 14 TYR HA H 1 4.430 0.005 . 1 . . . A 14 TYR HA . 18022 1 91 . 1 1 14 14 TYR HB2 H 1 2.934 0.005 . 2 . . . A 14 TYR HB2 . 18022 1 92 . 1 1 14 14 TYR HB3 H 1 2.934 0.005 . 2 . . . A 14 TYR HB3 . 18022 1 93 . 1 1 14 14 TYR HD1 H 1 7.074 0.005 . 3 . . . A 14 TYR HD1 . 18022 1 94 . 1 1 14 14 TYR HD2 H 1 7.074 0.005 . 3 . . . A 14 TYR HD2 . 18022 1 95 . 1 1 14 14 TYR HE1 H 1 6.784 0.005 . 3 . . . A 14 TYR HE1 . 18022 1 96 . 1 1 14 14 TYR HE2 H 1 6.784 0.005 . 3 . . . A 14 TYR HE2 . 18022 1 97 . 1 1 15 15 HIS H H 1 7.966 0.005 . 1 . . . A 15 HIS H . 18022 1 98 . 1 1 15 15 HIS HA H 1 4.550 0.005 . 1 . . . A 15 HIS HA . 18022 1 99 . 1 1 15 15 HIS HB2 H 1 3.177 0.005 . 2 . . . A 15 HIS HB2 . 18022 1 100 . 1 1 15 15 HIS HB3 H 1 3.034 0.005 . 2 . . . A 15 HIS HB3 . 18022 1 101 . 1 1 15 15 HIS HD2 H 1 7.219 0.005 . 1 . . . A 15 HIS HD2 . 18022 1 102 . 1 1 15 15 HIS HE1 H 1 8.455 0.005 . 1 . . . A 15 HIS HE1 . 18022 1 103 . 1 1 16 16 ALA H H 1 8.401 0.005 . 1 . . . A 16 ALA H . 18022 1 104 . 1 1 16 16 ALA HA H 1 4.297 0.005 . 1 . . . A 16 ALA HA . 18022 1 105 . 1 1 16 16 ALA HB1 H 1 1.385 0.005 . 1 . . . A 16 ALA HB1 . 18022 1 106 . 1 1 16 16 ALA HB2 H 1 1.385 0.005 . 1 . . . A 16 ALA HB2 . 18022 1 107 . 1 1 16 16 ALA HB3 H 1 1.385 0.005 . 1 . . . A 16 ALA HB3 . 18022 1 108 . 1 1 17 17 THR H H 1 8.327 0.005 . 1 . . . A 17 THR H . 18022 1 109 . 1 1 17 17 THR HA H 1 4.364 0.005 . 1 . . . A 17 THR HA . 18022 1 110 . 1 1 17 17 THR HB H 1 4.268 0.005 . 1 . . . A 17 THR HB . 18022 1 111 . 1 1 17 17 THR HG21 H 1 1.200 0.005 . 1 . . . A 17 THR HG21 . 18022 1 112 . 1 1 17 17 THR HG22 H 1 1.200 0.005 . 1 . . . A 17 THR HG22 . 18022 1 113 . 1 1 17 17 THR HG23 H 1 1.200 0.005 . 1 . . . A 17 THR HG23 . 18022 1 114 . 1 1 18 18 SER H H 1 8.410 0.005 . 1 . . . A 18 SER H . 18022 1 115 . 1 1 18 18 SER HA H 1 4.450 0.005 . 1 . . . A 18 SER HA . 18022 1 116 . 1 1 18 18 SER HB2 H 1 3.890 0.005 . 2 . . . A 18 SER HB2 . 18022 1 117 . 1 1 18 18 SER HB3 H 1 3.860 0.005 . 2 . . . A 18 SER HB3 . 18022 1 118 . 1 1 19 19 GLY H H 1 8.524 0.005 . 1 . . . A 19 GLY H . 18022 1 119 . 1 1 19 19 GLY HA2 H 1 3.945 0.005 . 2 . . . A 19 GLY HA2 . 18022 1 120 . 1 1 19 19 GLY HA3 H 1 3.945 0.005 . 2 . . . A 19 GLY HA3 . 18022 1 121 . 1 1 20 20 ALA H H 1 8.190 0.005 . 1 . . . A 20 ALA H . 18022 1 122 . 1 1 20 20 ALA HA H 1 4.279 0.005 . 1 . . . A 20 ALA HA . 18022 1 123 . 1 1 20 20 ALA HB1 H 1 1.356 0.005 . 1 . . . A 20 ALA HB1 . 18022 1 124 . 1 1 20 20 ALA HB2 H 1 1.356 0.005 . 1 . . . A 20 ALA HB2 . 18022 1 125 . 1 1 20 20 ALA HB3 H 1 1.356 0.005 . 1 . . . A 20 ALA HB3 . 18022 1 126 . 1 1 21 21 LEU H H 1 8.358 0.005 . 1 . . . A 21 LEU H . 18022 1 127 . 1 1 21 21 LEU HA H 1 4.357 0.005 . 1 . . . A 21 LEU HA . 18022 1 128 . 1 1 21 21 LEU HB2 H 1 1.626 0.005 . 2 . . . A 21 LEU HB2 . 18022 1 129 . 1 1 21 21 LEU HB3 H 1 1.626 0.005 . 2 . . . A 21 LEU HB3 . 18022 1 130 . 1 1 21 21 LEU HG H 1 1.556 0.005 . 1 . . . A 21 LEU HG . 18022 1 131 . 1 1 21 21 LEU HD11 H 1 0.901 0.005 . 2 . . . A 21 LEU HD11 . 18022 1 132 . 1 1 21 21 LEU HD12 H 1 0.901 0.005 . 2 . . . A 21 LEU HD12 . 18022 1 133 . 1 1 21 21 LEU HD13 H 1 0.901 0.005 . 2 . . . A 21 LEU HD13 . 18022 1 134 . 1 1 21 21 LEU HD21 H 1 0.844 0.005 . 2 . . . A 21 LEU HD21 . 18022 1 135 . 1 1 21 21 LEU HD22 H 1 0.844 0.005 . 2 . . . A 21 LEU HD22 . 18022 1 136 . 1 1 21 21 LEU HD23 H 1 0.844 0.005 . 2 . . . A 21 LEU HD23 . 18022 1 137 . 1 1 22 22 SER H H 1 8.360 0.005 . 1 . . . A 22 SER H . 18022 1 138 . 1 1 22 22 SER HA H 1 4.720 0.005 . 1 . . . A 22 SER HA . 18022 1 139 . 1 1 22 22 SER HB2 H 1 3.780 0.005 . 2 . . . A 22 SER HB2 . 18022 1 140 . 1 1 22 22 SER HB3 H 1 3.840 0.005 . 2 . . . A 22 SER HB3 . 18022 1 141 . 1 1 23 23 PRO HA H 1 4.399 0.005 . 1 . . . A 23 PRO HA . 18022 1 142 . 1 1 23 23 PRO HB2 H 1 2.270 0.005 . 2 . . . A 23 PRO HB2 . 18022 1 143 . 1 1 23 23 PRO HB3 H 1 2.270 0.005 . 2 . . . A 23 PRO HB3 . 18022 1 144 . 1 1 23 23 PRO HG2 H 1 1.903 0.005 . 2 . . . A 23 PRO HG2 . 18022 1 145 . 1 1 23 23 PRO HG3 H 1 1.985 0.005 . 2 . . . A 23 PRO HG3 . 18022 1 146 . 1 1 23 23 PRO HD2 H 1 3.687 0.005 . 2 . . . A 23 PRO HD2 . 18022 1 147 . 1 1 23 23 PRO HD3 H 1 3.781 0.005 . 2 . . . A 23 PRO HD3 . 18022 1 148 . 1 1 24 24 ALA H H 1 8.455 0.005 . 1 . . . A 24 ALA H . 18022 1 149 . 1 1 24 24 ALA HA H 1 4.265 0.005 . 1 . . . A 24 ALA HA . 18022 1 150 . 1 1 24 24 ALA HB1 H 1 1.375 0.005 . 1 . . . A 24 ALA HB1 . 18022 1 151 . 1 1 24 24 ALA HB2 H 1 1.375 0.005 . 1 . . . A 24 ALA HB2 . 18022 1 152 . 1 1 24 24 ALA HB3 H 1 1.375 0.005 . 1 . . . A 24 ALA HB3 . 18022 1 153 . 1 1 25 25 LYS H H 1 8.426 0.005 . 1 . . . A 25 LYS H . 18022 1 154 . 1 1 25 25 LYS HA H 1 4.317 0.005 . 1 . . . A 25 LYS HA . 18022 1 155 . 1 1 25 25 LYS HB2 H 1 1.723 0.005 . 2 . . . A 25 LYS HB2 . 18022 1 156 . 1 1 25 25 LYS HB3 H 1 1.840 0.005 . 2 . . . A 25 LYS HB3 . 18022 1 157 . 1 1 25 25 LYS HG2 H 1 1.427 0.005 . 2 . . . A 25 LYS HG2 . 18022 1 158 . 1 1 25 25 LYS HG3 H 1 1.427 0.005 . 2 . . . A 25 LYS HG3 . 18022 1 159 . 1 1 25 25 LYS HD2 H 1 1.656 0.005 . 2 . . . A 25 LYS HD2 . 18022 1 160 . 1 1 25 25 LYS HD3 H 1 1.656 0.005 . 2 . . . A 25 LYS HD3 . 18022 1 161 . 1 1 26 26 ASP H H 1 8.029 0.005 . 1 . . . A 26 ASP H . 18022 1 162 . 1 1 26 26 ASP HA H 1 4.347 0.005 . 1 . . . A 26 ASP HA . 18022 1 163 . 1 1 26 26 ASP HB2 H 1 2.645 0.005 . 2 . . . A 26 ASP HB2 . 18022 1 164 . 1 1 26 26 ASP HB3 H 1 2.546 0.005 . 2 . . . A 26 ASP HB3 . 18022 1 stop_ save_