################################### # 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 25211 _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 2 '2D 1H-1H TOCSY' . . . 25211 1 3 '2D 1H-1H NOESY' . . . 25211 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 ASN HA H 1 4.720 0.02 . . . . . A 1 ASN HA . 25211 1 2 . 1 1 1 1 ASN HB2 H 1 2.910 0.02 . . . . . A 1 ASN HB2 . 25211 1 3 . 1 1 1 1 ASN HB3 H 1 2.910 0.02 . . . . . A 1 ASN HB3 . 25211 1 4 . 1 1 1 1 ASN HD21 H 1 7.660 0.02 . . . . . A 1 ASN HD21 . 25211 1 5 . 1 1 1 1 ASN HD22 H 1 6.780 0.02 . . . . . A 1 ASN HD22 . 25211 1 6 . 1 1 1 1 ASN H H 1 8.260 0.02 . . . . . A 1 ASN H1 . 25211 1 7 . 1 1 2 2 GLU H H 1 8.590 0.02 . . . . . A 2 GLU H . 25211 1 8 . 1 1 2 2 GLU HA H 1 4.230 0.02 . . . . . A 2 GLU HA . 25211 1 9 . 1 1 2 2 GLU HB2 H 1 2.170 0.02 . . . . . A 2 GLU HB2 . 25211 1 10 . 1 1 2 2 GLU HB3 H 1 2.120 0.02 . . . . . A 2 GLU HB3 . 25211 1 11 . 1 1 2 2 GLU HG2 H 1 2.520 0.02 . . . . . A 2 GLU HG2 . 25211 1 12 . 1 1 2 2 GLU HG3 H 1 2.520 0.02 . . . . . A 2 GLU HG3 . 25211 1 13 . 1 1 3 3 VAL H H 1 7.940 0.02 . . . . . A 3 VAL H . 25211 1 14 . 1 1 3 3 VAL HA H 1 3.740 0.02 . . . . . A 3 VAL HA . 25211 1 15 . 1 1 3 3 VAL HB H 1 2.160 0.02 . . . . . A 3 VAL HB . 25211 1 16 . 1 1 3 3 VAL HG11 H 1 1.060 0.02 . . . . . A 3 VAL HG11 . 25211 1 17 . 1 1 3 3 VAL HG12 H 1 1.060 0.02 . . . . . A 3 VAL HG12 . 25211 1 18 . 1 1 3 3 VAL HG13 H 1 1.060 0.02 . . . . . A 3 VAL HG13 . 25211 1 19 . 1 1 3 3 VAL HG21 H 1 0.960 0.02 . . . . . A 3 VAL HG21 . 25211 1 20 . 1 1 3 3 VAL HG22 H 1 0.960 0.02 . . . . . A 3 VAL HG22 . 25211 1 21 . 1 1 3 3 VAL HG23 H 1 0.960 0.02 . . . . . A 3 VAL HG23 . 25211 1 22 . 1 1 4 4 SER H H 1 8.120 0.02 . . . . . A 4 SER H . 25211 1 23 . 1 1 4 4 SER HA H 1 4.170 0.02 . . . . . A 4 SER HA . 25211 1 24 . 1 1 4 4 SER HB2 H 1 3.980 0.02 . . . . . A 4 SER HB2 . 25211 1 25 . 1 1 4 4 SER HB3 H 1 3.980 0.02 . . . . . A 4 SER HB3 . 25211 1 26 . 1 1 5 5 GLU H H 1 8.250 0.02 . . . . . A 5 GLU H . 25211 1 27 . 1 1 5 5 GLU HA H 1 4.180 0.02 . . . . . A 5 GLU HA . 25211 1 28 . 1 1 5 5 GLU HB2 H 1 2.240 0.02 . . . . . A 5 GLU HB2 . 25211 1 29 . 1 1 5 5 GLU HB3 H 1 2.180 0.02 . . . . . A 5 GLU HB3 . 25211 1 30 . 1 1 5 5 GLU HG2 H 1 2.460 0.02 . . . . . A 5 GLU HG2 . 25211 1 31 . 1 1 5 5 GLU HG3 H 1 2.570 0.02 . . . . . A 5 GLU HG3 . 25211 1 32 . 1 1 6 6 ARG H H 1 7.990 0.02 . . . . . A 6 ARG H . 25211 1 33 . 1 1 6 6 ARG HA H 1 3.980 0.02 . . . . . A 6 ARG HA . 25211 1 34 . 1 1 6 6 ARG HB2 H 1 2.040 0.02 . . . . . A 6 ARG HB2 . 25211 1 35 . 1 1 6 6 ARG HB3 H 1 1.940 0.02 . . . . . A 6 ARG HB3 . 25211 1 36 . 1 1 6 6 ARG HG2 H 1 1.850 0.02 . . . . . A 6 ARG HG2 . 25211 1 37 . 1 1 6 6 ARG HG3 H 1 1.630 0.02 . . . . . A 6 ARG HG3 . 25211 1 38 . 1 1 6 6 ARG HD2 H 1 3.190 0.02 . . . . . A 6 ARG HD2 . 25211 1 39 . 1 1 6 6 ARG HD3 H 1 3.190 0.02 . . . . . A 6 ARG HD3 . 25211 1 40 . 1 1 6 6 ARG HH11 H 1 7.130 0.02 . . . . . A 6 ARG HH11 . 25211 1 41 . 1 1 6 6 ARG HH12 H 1 7.130 0.02 . . . . . A 6 ARG HH12 . 25211 1 42 . 1 1 6 6 ARG HH21 H 1 7.130 0.02 . . . . . A 6 ARG HH21 . 25211 1 43 . 1 1 6 6 ARG HH22 H 1 7.130 0.02 . . . . . A 6 ARG HH22 . 25211 1 44 . 1 1 7 7 VAL H H 1 8.330 0.02 . . . . . A 7 VAL H . 25211 1 45 . 1 1 7 7 VAL HA H 1 3.700 0.02 . . . . . A 7 VAL HA . 25211 1 46 . 1 1 7 7 VAL HB H 1 2.170 0.02 . . . . . A 7 VAL HB . 25211 1 47 . 1 1 7 7 VAL HG11 H 1 0.940 0.02 . . . . . A 7 VAL HG11 . 25211 1 48 . 1 1 7 7 VAL HG12 H 1 0.940 0.02 . . . . . A 7 VAL HG12 . 25211 1 49 . 1 1 7 7 VAL HG13 H 1 0.940 0.02 . . . . . A 7 VAL HG13 . 25211 1 50 . 1 1 7 7 VAL HG21 H 1 1.090 0.02 . . . . . A 7 VAL HG21 . 25211 1 51 . 1 1 7 7 VAL HG22 H 1 1.090 0.02 . . . . . A 7 VAL HG22 . 25211 1 52 . 1 1 7 7 VAL HG23 H 1 1.090 0.02 . . . . . A 7 VAL HG23 . 25211 1 53 . 1 1 8 8 HIS H H 1 8.150 0.02 . . . . . A 8 HIS H . 25211 1 54 . 1 1 8 8 HIS HA H 1 4.450 0.02 . . . . . A 8 HIS HA . 25211 1 55 . 1 1 8 8 HIS HB2 H 1 3.470 0.02 . . . . . A 8 HIS HB2 . 25211 1 56 . 1 1 8 8 HIS HB3 H 1 3.470 0.02 . . . . . A 8 HIS HB3 . 25211 1 57 . 1 1 8 8 HIS HD2 H 1 7.260 0.02 . . . . . A 8 HIS HD2 . 25211 1 58 . 1 1 8 8 HIS HE1 H 1 8.570 0.02 . . . . . A 8 HIS HE1 . 25211 1 59 . 1 1 9 9 VAL H H 1 8.520 0.02 . . . . . A 9 VAL H . 25211 1 60 . 1 1 9 9 VAL HA H 1 3.630 0.02 . . . . . A 9 VAL HA . 25211 1 61 . 1 1 9 9 VAL HB H 1 2.250 0.02 . . . . . A 9 VAL HB . 25211 1 62 . 1 1 9 9 VAL HG11 H 1 0.980 0.02 . . . . . A 9 VAL HG11 . 25211 1 63 . 1 1 9 9 VAL HG12 H 1 0.980 0.02 . . . . . A 9 VAL HG12 . 25211 1 64 . 1 1 9 9 VAL HG13 H 1 0.980 0.02 . . . . . A 9 VAL HG13 . 25211 1 65 . 1 1 9 9 VAL HG21 H 1 1.140 0.02 . . . . . A 9 VAL HG21 . 25211 1 66 . 1 1 9 9 VAL HG22 H 1 1.140 0.02 . . . . . A 9 VAL HG22 . 25211 1 67 . 1 1 9 9 VAL HG23 H 1 1.140 0.02 . . . . . A 9 VAL HG23 . 25211 1 68 . 1 1 10 10 TYR H H 1 8.640 0.02 . . . . . A 10 TYR H . 25211 1 69 . 1 1 10 10 TYR HA H 1 4.220 0.02 . . . . . A 10 TYR HA . 25211 1 70 . 1 1 10 10 TYR HB2 H 1 3.140 0.02 . . . . . A 10 TYR HB2 . 25211 1 71 . 1 1 10 10 TYR HB3 H 1 3.230 0.02 . . . . . A 10 TYR HB3 . 25211 1 72 . 1 1 10 10 TYR HD1 H 1 6.940 0.02 . . . . . A 10 TYR HD1 . 25211 1 73 . 1 1 10 10 TYR HD2 H 1 6.940 0.02 . . . . . A 10 TYR HD2 . 25211 1 74 . 1 1 10 10 TYR HE1 H 1 6.740 0.02 . . . . . A 10 TYR HE1 . 25211 1 75 . 1 1 10 10 TYR HE2 H 1 6.740 0.02 . . . . . A 10 TYR HE2 . 25211 1 76 . 1 1 11 11 HIS H H 1 8.140 0.02 . . . . . A 11 HIS H . 25211 1 77 . 1 1 11 11 HIS HA H 1 4.180 0.02 . . . . . A 11 HIS HA . 25211 1 78 . 1 1 11 11 HIS HB2 H 1 3.350 0.02 . . . . . A 11 HIS HB2 . 25211 1 79 . 1 1 11 11 HIS HB3 H 1 3.530 0.02 . . . . . A 11 HIS HB3 . 25211 1 80 . 1 1 11 11 HIS HD2 H 1 7.400 0.02 . . . . . A 11 HIS HD2 . 25211 1 81 . 1 1 11 11 HIS HE1 H 1 8.590 0.02 . . . . . A 11 HIS HE1 . 25211 1 82 . 1 1 12 12 ILE H H 1 8.140 0.02 . . . . . A 12 ILE H . 25211 1 83 . 1 1 12 12 ILE HA H 1 3.750 0.02 . . . . . A 12 ILE HA . 25211 1 84 . 1 1 12 12 ILE HB H 1 2.120 0.02 . . . . . A 12 ILE HB . 25211 1 85 . 1 1 12 12 ILE HG12 H 1 1.720 0.02 . . . . . A 12 ILE HG12 . 25211 1 86 . 1 1 12 12 ILE HG13 H 1 1.090 0.02 . . . . . A 12 ILE HG13 . 25211 1 87 . 1 1 12 12 ILE HG21 H 1 0.950 0.02 . . . . . A 12 ILE HG21 . 25211 1 88 . 1 1 12 12 ILE HG22 H 1 0.950 0.02 . . . . . A 12 ILE HG22 . 25211 1 89 . 1 1 12 12 ILE HG23 H 1 0.950 0.02 . . . . . A 12 ILE HG23 . 25211 1 90 . 1 1 12 12 ILE HD11 H 1 0.770 0.02 . . . . . A 12 ILE HD11 . 25211 1 91 . 1 1 12 12 ILE HD12 H 1 0.770 0.02 . . . . . A 12 ILE HD12 . 25211 1 92 . 1 1 12 12 ILE HD13 H 1 0.770 0.02 . . . . . A 12 ILE HD13 . 25211 1 93 . 1 1 13 13 LEU H H 1 8.780 0.02 . . . . . A 13 LEU H . 25211 1 94 . 1 1 13 13 LEU HA H 1 4.040 0.02 . . . . . A 13 LEU HA . 25211 1 95 . 1 1 13 13 LEU HB2 H 1 1.420 0.02 . . . . . A 13 LEU HB2 . 25211 1 96 . 1 1 13 13 LEU HB3 H 1 1.890 0.02 . . . . . A 13 LEU HB3 . 25211 1 97 . 1 1 13 13 LEU HG H 1 1.890 0.02 . . . . . A 13 LEU HG . 25211 1 98 . 1 1 13 13 LEU HD11 H 1 0.860 0.02 . . . . . A 13 LEU HD11 . 25211 1 99 . 1 1 13 13 LEU HD12 H 1 0.860 0.02 . . . . . A 13 LEU HD12 . 25211 1 100 . 1 1 13 13 LEU HD13 H 1 0.860 0.02 . . . . . A 13 LEU HD13 . 25211 1 101 . 1 1 13 13 LEU HD21 H 1 0.860 0.02 . . . . . A 13 LEU HD21 . 25211 1 102 . 1 1 13 13 LEU HD22 H 1 0.860 0.02 . . . . . A 13 LEU HD22 . 25211 1 103 . 1 1 13 13 LEU HD23 H 1 0.860 0.02 . . . . . A 13 LEU HD23 . 25211 1 104 . 1 1 14 14 LYS H H 1 8.260 0.02 . . . . . A 14 LYS H . 25211 1 105 . 1 1 14 14 LYS HA H 1 3.900 0.02 . . . . . A 14 LYS HA . 25211 1 106 . 1 1 14 14 LYS HB2 H 1 1.680 0.02 . . . . . A 14 LYS HB2 . 25211 1 107 . 1 1 14 14 LYS HB3 H 1 1.680 0.02 . . . . . A 14 LYS HB3 . 25211 1 108 . 1 1 14 14 LYS HG2 H 1 1.270 0.02 . . . . . A 14 LYS HG2 . 25211 1 109 . 1 1 14 14 LYS HG3 H 1 1.270 0.02 . . . . . A 14 LYS HG3 . 25211 1 110 . 1 1 14 14 LYS HD2 H 1 1.580 0.02 . . . . . A 14 LYS HD2 . 25211 1 111 . 1 1 14 14 LYS HD3 H 1 1.580 0.02 . . . . . A 14 LYS HD3 . 25211 1 112 . 1 1 14 14 LYS HE2 H 1 2.950 0.02 . . . . . A 14 LYS HE2 . 25211 1 113 . 1 1 14 14 LYS HE3 H 1 2.950 0.02 . . . . . A 14 LYS HE3 . 25211 1 114 . 1 1 14 14 LYS HZ1 H 1 7.620 0.02 . . . . . A 14 LYS HZ2 . 25211 1 115 . 1 1 14 14 LYS HZ2 H 1 7.620 0.02 . . . . . A 14 LYS HZ2 . 25211 1 116 . 1 1 14 14 LYS HZ3 H 1 7.620 0.02 . . . . . A 14 LYS HZ3 . 25211 1 117 . 1 1 15 15 HIS H H 1 7.890 0.02 . . . . . A 15 HIS H . 25211 1 118 . 1 1 15 15 HIS HA H 1 4.410 0.02 . . . . . A 15 HIS HA . 25211 1 119 . 1 1 15 15 HIS HB2 H 1 3.540 0.02 . . . . . A 15 HIS HB2 . 25211 1 120 . 1 1 15 15 HIS HB3 H 1 3.340 0.02 . . . . . A 15 HIS HB3 . 25211 1 121 . 1 1 15 15 HIS HD2 H 1 7.210 0.02 . . . . . A 15 HIS HD2 . 25211 1 122 . 1 1 15 15 HIS HE1 H 1 8.690 0.02 . . . . . A 15 HIS HE1 . 25211 1 123 . 1 1 16 16 ILE H H 1 8.240 0.02 . . . . . A 16 ILE H . 25211 1 124 . 1 1 16 16 ILE HA H 1 3.900 0.02 . . . . . A 16 ILE HA . 25211 1 125 . 1 1 16 16 ILE HB H 1 1.890 0.02 . . . . . A 16 ILE HB . 25211 1 126 . 1 1 16 16 ILE HG12 H 1 1.830 0.02 . . . . . A 16 ILE HG12 . 25211 1 127 . 1 1 16 16 ILE HG13 H 1 1.200 0.02 . . . . . A 16 ILE HG13 . 25211 1 128 . 1 1 16 16 ILE HG21 H 1 0.940 0.02 . . . . . A 16 ILE HG21 . 25211 1 129 . 1 1 16 16 ILE HG22 H 1 0.940 0.02 . . . . . A 16 ILE HG22 . 25211 1 130 . 1 1 16 16 ILE HG23 H 1 0.940 0.02 . . . . . A 16 ILE HG23 . 25211 1 131 . 1 1 16 16 ILE HD11 H 1 0.870 0.02 . . . . . A 16 ILE HD11 . 25211 1 132 . 1 1 16 16 ILE HD12 H 1 0.870 0.02 . . . . . A 16 ILE HD12 . 25211 1 133 . 1 1 16 16 ILE HD13 H 1 0.870 0.02 . . . . . A 16 ILE HD13 . 25211 1 134 . 1 1 17 17 LYS H H 1 8.380 0.02 . . . . . A 17 LYS H . 25211 1 135 . 1 1 17 17 LYS HA H 1 4.220 0.02 . . . . . A 17 LYS HA . 25211 1 136 . 1 1 17 17 LYS HB2 H 1 1.880 0.02 . . . . . A 17 LYS HB2 . 25211 1 137 . 1 1 17 17 LYS HB3 H 1 1.880 0.02 . . . . . A 17 LYS HB3 . 25211 1 138 . 1 1 17 17 LYS HG2 H 1 1.530 0.02 . . . . . A 17 LYS HG2 . 25211 1 139 . 1 1 17 17 LYS HG3 H 1 1.480 0.02 . . . . . A 17 LYS HG3 . 25211 1 140 . 1 1 17 17 LYS HD2 H 1 1.680 0.02 . . . . . A 17 LYS HD2 . 25211 1 141 . 1 1 17 17 LYS HD3 H 1 1.680 0.02 . . . . . A 17 LYS HD3 . 25211 1 142 . 1 1 17 17 LYS HE2 H 1 2.980 0.02 . . . . . A 17 LYS HE2 . 25211 1 143 . 1 1 17 17 LYS HE3 H 1 2.980 0.02 . . . . . A 17 LYS HE3 . 25211 1 144 . 1 1 17 17 LYS HZ1 H 1 7.620 0.02 . . . . . A 17 LYS HZ2 . 25211 1 145 . 1 1 17 17 LYS HZ2 H 1 7.620 0.02 . . . . . A 17 LYS HZ2 . 25211 1 146 . 1 1 17 17 LYS HZ3 H 1 7.620 0.02 . . . . . A 17 LYS HZ3 . 25211 1 147 . 1 1 18 18 ASP H H 1 8.120 0.02 . . . . . A 18 ASP H . 25211 1 148 . 1 1 18 18 ASP HA H 1 4.700 0.02 . . . . . A 18 ASP HA . 25211 1 149 . 1 1 18 18 ASP HB2 H 1 2.850 0.02 . . . . . A 18 ASP HB2 . 25211 1 150 . 1 1 18 18 ASP HB3 H 1 3.260 0.02 . . . . . A 18 ASP HB3 . 25211 1 151 . 1 1 19 19 GLY H H 1 8.000 0.02 . . . . . A 19 GLY H . 25211 1 152 . 1 1 19 19 GLY HA2 H 1 3.900 0.02 . . . . . A 19 GLY HA2 . 25211 1 153 . 1 1 19 19 GLY HA3 H 1 4.080 0.02 . . . . . A 19 GLY HA3 . 25211 1 154 . 1 1 20 20 LYS H H 1 8.480 0.02 . . . . . A 20 LYS H . 25211 1 155 . 1 1 20 20 LYS HA H 1 4.330 0.02 . . . . . A 20 LYS HA . 25211 1 156 . 1 1 20 20 LYS HB2 H 1 1.830 0.02 . . . . . A 20 LYS HB2 . 25211 1 157 . 1 1 20 20 LYS HB3 H 1 1.920 0.02 . . . . . A 20 LYS HB3 . 25211 1 158 . 1 1 20 20 LYS HG2 H 1 1.510 0.02 . . . . . A 20 LYS HG2 . 25211 1 159 . 1 1 20 20 LYS HG3 H 1 1.450 0.02 . . . . . A 20 LYS HG3 . 25211 1 160 . 1 1 20 20 LYS HD2 H 1 1.720 0.02 . . . . . A 20 LYS HD2 . 25211 1 161 . 1 1 20 20 LYS HD3 H 1 1.720 0.02 . . . . . A 20 LYS HD3 . 25211 1 162 . 1 1 20 20 LYS HE2 H 1 3.020 0.02 . . . . . A 20 LYS HE2 . 25211 1 163 . 1 1 20 20 LYS HE3 H 1 3.020 0.02 . . . . . A 20 LYS HE3 . 25211 1 164 . 1 1 20 20 LYS HZ1 H 1 7.620 0.02 . . . . . A 20 LYS HZ2 . 25211 1 165 . 1 1 20 20 LYS HZ2 H 1 7.620 0.02 . . . . . A 20 LYS HZ2 . 25211 1 166 . 1 1 20 20 LYS HZ3 H 1 7.620 0.02 . . . . . A 20 LYS HZ3 . 25211 1 stop_ save_