################################### # 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 5 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 5 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 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 5 1 2 . 1 1 1 1 GLY HA3 H 1 3.76 . . 2 . . . . . . . . 5 1 3 . 1 1 2 2 VAL H H 1 8.52 . . 1 . . . . . . . . 5 1 4 . 1 1 2 2 VAL HA H 1 4.2 . . 1 . . . . . . . . 5 1 5 . 1 1 2 2 VAL HB H 1 2.02 . . 1 . . . . . . . . 5 1 6 . 1 1 2 2 VAL HG11 H 1 .88 . . 2 . . . . . . . . 5 1 7 . 1 1 2 2 VAL HG12 H 1 .88 . . 2 . . . . . . . . 5 1 8 . 1 1 2 2 VAL HG13 H 1 .88 . . 2 . . . . . . . . 5 1 9 . 1 1 2 2 VAL HG21 H 1 .92 . . 2 . . . . . . . . 5 1 10 . 1 1 2 2 VAL HG22 H 1 .92 . . 2 . . . . . . . . 5 1 11 . 1 1 2 2 VAL HG23 H 1 .92 . . 2 . . . . . . . . 5 1 12 . 1 1 3 3 SER H H 1 8.25 . . 1 . . . . . . . . 5 1 13 . 1 1 3 3 SER HA H 1 5.06 . . 1 . . . . . . . . 5 1 14 . 1 1 3 3 SER HB2 H 1 3.81 . . 2 . . . . . . . . 5 1 15 . 1 1 3 3 SER HB3 H 1 3.96 . . 2 . . . . . . . . 5 1 16 . 1 1 4 4 CYS H H 1 8.15 . . 1 . . . . . . . . 5 1 17 . 1 1 4 4 CYS HA H 1 4.84 . . 1 . . . . . . . . 5 1 18 . 1 1 4 4 CYS HB2 H 1 2.76 . . 2 . . . . . . . . 5 1 19 . 1 1 4 4 CYS HB3 H 1 2.88 . . 2 . . . . . . . . 5 1 20 . 1 1 5 5 LEU H H 1 8.72 . . 1 . . . . . . . . 5 1 21 . 1 1 5 5 LEU HA H 1 4.6 . . 1 . . . . . . . . 5 1 22 . 1 1 5 5 LEU HB2 H 1 1.48 . . 1 . . . . . . . . 5 1 23 . 1 1 5 5 LEU HB3 H 1 1.48 . . 1 . . . . . . . . 5 1 24 . 1 1 5 5 LEU HG H 1 1.62 . . 1 . . . . . . . . 5 1 25 . 1 1 5 5 LEU HD11 H 1 .88 . . 2 . . . . . . . . 5 1 26 . 1 1 5 5 LEU HD12 H 1 .88 . . 2 . . . . . . . . 5 1 27 . 1 1 5 5 LEU HD13 H 1 .88 . . 2 . . . . . . . . 5 1 28 . 1 1 5 5 LEU HD21 H 1 .98 . . 2 . . . . . . . . 5 1 29 . 1 1 5 5 LEU HD22 H 1 .98 . . 2 . . . . . . . . 5 1 30 . 1 1 5 5 LEU HD23 H 1 .98 . . 2 . . . . . . . . 5 1 31 . 1 1 6 6 CYS HB2 H 1 2.64 . . 2 . . . . . . . . 5 1 32 . 1 1 6 6 CYS HB3 H 1 3.46 . . 2 . . . . . . . . 5 1 33 . 1 1 7 7 ASP HA H 1 4.62 . . 1 . . . . . . . . 5 1 34 . 1 1 7 7 ASP HB2 H 1 2.08 . . 2 . . . . . . . . 5 1 35 . 1 1 7 7 ASP HB3 H 1 2.48 . . 2 . . . . . . . . 5 1 36 . 1 1 8 8 SER H H 1 7.64 . . 1 . . . . . . . . 5 1 37 . 1 1 8 8 SER HA H 1 4.34 . . 1 . . . . . . . . 5 1 38 . 1 1 8 8 SER HB2 H 1 3.77 . . 1 . . . . . . . . 5 1 39 . 1 1 8 8 SER HB3 H 1 3.77 . . 1 . . . . . . . . 5 1 40 . 1 1 12 12 SER H H 1 8.19 . . 1 . . . . . . . . 5 1 41 . 1 1 12 12 SER HA H 1 4.54 . . 1 . . . . . . . . 5 1 42 . 1 1 12 12 SER HB2 H 1 3.9 . . 1 . . . . . . . . 5 1 43 . 1 1 12 12 SER HB3 H 1 3.9 . . 1 . . . . . . . . 5 1 44 . 1 1 13 13 VAL H H 1 8.02 . . 1 . . . . . . . . 5 1 45 . 1 1 13 13 VAL HA H 1 4.15 . . 1 . . . . . . . . 5 1 46 . 1 1 13 13 VAL HB H 1 2.19 . . 1 . . . . . . . . 5 1 47 . 1 1 13 13 VAL HG11 H 1 .94 . . 2 . . . . . . . . 5 1 48 . 1 1 13 13 VAL HG12 H 1 .94 . . 2 . . . . . . . . 5 1 49 . 1 1 13 13 VAL HG13 H 1 .94 . . 2 . . . . . . . . 5 1 50 . 1 1 13 13 VAL HG21 H 1 .97 . . 2 . . . . . . . . 5 1 51 . 1 1 13 13 VAL HG22 H 1 .97 . . 2 . . . . . . . . 5 1 52 . 1 1 13 13 VAL HG23 H 1 .97 . . 2 . . . . . . . . 5 1 53 . 1 1 14 14 ARG H H 1 8.17 . . 1 . . . . . . . . 5 1 54 . 1 1 14 14 ARG HA H 1 4.34 . . 1 . . . . . . . . 5 1 55 . 1 1 14 14 ARG HB2 H 1 1.87 . . 2 . . . . . . . . 5 1 56 . 1 1 14 14 ARG HB3 H 1 1.76 . . 2 . . . . . . . . 5 1 57 . 1 1 14 14 ARG HG2 H 1 1.64 . . 1 . . . . . . . . 5 1 58 . 1 1 14 14 ARG HG3 H 1 1.64 . . 1 . . . . . . . . 5 1 59 . 1 1 14 14 ARG HD2 H 1 3.2 . . 1 . . . . . . . . 5 1 60 . 1 1 14 14 ARG HD3 H 1 3.2 . . 1 . . . . . . . . 5 1 61 . 1 1 14 14 ARG HE H 1 7.18 . . 1 . . . . . . . . 5 1 62 . 1 1 17 17 THR H H 1 8.14 . . 1 . . . . . . . . 5 1 63 . 1 1 17 17 THR HA H 1 3.89 . . 1 . . . . . . . . 5 1 64 . 1 1 17 17 THR HB H 1 4.09 . . 1 . . . . . . . . 5 1 65 . 1 1 17 17 THR HG21 H 1 1.21 . . 1 . . . . . . . . 5 1 66 . 1 1 17 17 THR HG22 H 1 1.21 . . 1 . . . . . . . . 5 1 67 . 1 1 17 17 THR HG23 H 1 1.21 . . 1 . . . . . . . . 5 1 68 . 1 1 21 21 THR HA H 1 4.7 . . 1 . . . . . . . . 5 1 69 . 1 1 21 21 THR HB H 1 3.9 . . 1 . . . . . . . . 5 1 70 . 1 1 21 21 THR HG21 H 1 .37 . . 1 . . . . . . . . 5 1 71 . 1 1 21 21 THR HG22 H 1 .37 . . 1 . . . . . . . . 5 1 72 . 1 1 21 21 THR HG23 H 1 .37 . . 1 . . . . . . . . 5 1 73 . 1 1 22 22 LEU H H 1 8.51 . . 1 . . . . . . . . 5 1 74 . 1 1 22 22 LEU HA H 1 4.96 . . 1 . . . . . . . . 5 1 75 . 1 1 22 22 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 5 1 76 . 1 1 22 22 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 5 1 77 . 1 1 22 22 LEU HG H 1 1.22 . . 1 . . . . . . . . 5 1 78 . 1 1 22 22 LEU HD11 H 1 .75 . . 2 . . . . . . . . 5 1 79 . 1 1 22 22 LEU HD12 H 1 .75 . . 2 . . . . . . . . 5 1 80 . 1 1 22 22 LEU HD13 H 1 .75 . . 2 . . . . . . . . 5 1 81 . 1 1 22 22 LEU HD21 H 1 .79 . . 2 . . . . . . . . 5 1 82 . 1 1 22 22 LEU HD22 H 1 .79 . . 2 . . . . . . . . 5 1 83 . 1 1 22 22 LEU HD23 H 1 .79 . . 2 . . . . . . . . 5 1 84 . 1 1 23 23 TRP HA H 1 4.6 . . 1 . . . . . . . . 5 1 85 . 1 1 23 23 TRP HB2 H 1 2.94 . . 1 . . . . . . . . 5 1 86 . 1 1 23 23 TRP HB3 H 1 2.94 . . 1 . . . . . . . . 5 1 87 . 1 1 23 23 TRP HD1 H 1 6.66 . . 1 . . . . . . . . 5 1 88 . 1 1 23 23 TRP HE3 H 1 7.29 . . 1 . . . . . . . . 5 1 89 . 1 1 23 23 TRP HZ2 H 1 6.67 . . 1 . . . . . . . . 5 1 90 . 1 1 23 23 TRP HZ3 H 1 7.06 . . 1 . . . . . . . . 5 1 91 . 1 1 23 23 TRP HH2 H 1 7.06 . . 1 . . . . . . . . 5 1 92 . 1 1 25 25 TYR H H 1 6.98 . . 1 . . . . . . . . 5 1 93 . 1 1 25 25 TYR HA H 1 4.98 . . 1 . . . . . . . . 5 1 94 . 1 1 25 25 TYR HB2 H 1 3.1 . . 2 . . . . . . . . 5 1 95 . 1 1 25 25 TYR HB3 H 1 3.33 . . 2 . . . . . . . . 5 1 96 . 1 1 25 25 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 5 1 97 . 1 1 25 25 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 5 1 98 . 1 1 25 25 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 5 1 99 . 1 1 25 25 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 5 1 100 . 1 1 26 26 PRO HG2 H 1 2.15 . . 1 . . . . . . . . 5 1 101 . 1 1 26 26 PRO HG3 H 1 2.15 . . 1 . . . . . . . . 5 1 102 . 1 1 26 26 PRO HD2 H 1 3.76 . . 2 . . . . . . . . 5 1 103 . 1 1 26 26 PRO HD3 H 1 4.01 . . 2 . . . . . . . . 5 1 104 . 1 1 28 28 GLY H H 1 6.9 . . 1 . . . . . . . . 5 1 105 . 1 1 28 28 GLY HA2 H 1 1.31 . . 2 . . . . . . . . 5 1 106 . 1 1 28 28 GLY HA3 H 1 3.45 . . 2 . . . . . . . . 5 1 107 . 1 1 29 29 CYS H H 1 7.73 . . 1 . . . . . . . . 5 1 108 . 1 1 29 29 CYS HA H 1 4.1 . . 1 . . . . . . . . 5 1 109 . 1 1 29 29 CYS HB2 H 1 2.5 . . 1 . . . . . . . . 5 1 110 . 1 1 29 29 CYS HB3 H 1 2.5 . . 1 . . . . . . . . 5 1 111 . 1 1 31 31 SER H H 1 8.03 . . 1 . . . . . . . . 5 1 112 . 1 1 31 31 SER HA H 1 4.17 . . 1 . . . . . . . . 5 1 113 . 1 1 31 31 SER HB2 H 1 3.8 . . 1 . . . . . . . . 5 1 114 . 1 1 31 31 SER HB3 H 1 3.8 . . 1 . . . . . . . . 5 1 115 . 1 1 32 32 GLY H H 1 8.79 . . 1 . . . . . . . . 5 1 116 . 1 1 32 32 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 5 1 117 . 1 1 32 32 GLY HA3 H 1 4.36 . . 2 . . . . . . . . 5 1 118 . 1 1 33 33 TRP H H 1 8.4 . . 1 . . . . . . . . 5 1 119 . 1 1 33 33 TRP HA H 1 4.71 . . 1 . . . . . . . . 5 1 120 . 1 1 33 33 TRP HB2 H 1 3.1 . . 1 . . . . . . . . 5 1 121 . 1 1 33 33 TRP HB3 H 1 3.1 . . 1 . . . . . . . . 5 1 122 . 1 1 33 33 TRP HD1 H 1 6.97 . . 1 . . . . . . . . 5 1 123 . 1 1 33 33 TRP HE1 H 1 10.33 . . 1 . . . . . . . . 5 1 124 . 1 1 33 33 TRP HE3 H 1 7.22 . . 1 . . . . . . . . 5 1 125 . 1 1 33 33 TRP HZ2 H 1 7.8 . . 1 . . . . . . . . 5 1 126 . 1 1 33 33 TRP HZ3 H 1 7.51 . . 1 . . . . . . . . 5 1 127 . 1 1 33 33 TRP HH2 H 1 7.46 . . 1 . . . . . . . . 5 1 128 . 1 1 34 34 HIS H H 1 9.25 . . 1 . . . . . . . . 5 1 129 . 1 1 34 34 HIS HA H 1 5.12 . . 1 . . . . . . . . 5 1 130 . 1 1 34 34 HIS HB2 H 1 3.22 . . 2 . . . . . . . . 5 1 131 . 1 1 34 34 HIS HB3 H 1 3.31 . . 2 . . . . . . . . 5 1 132 . 1 1 34 34 HIS HD2 H 1 7.15 . . 1 . . . . . . . . 5 1 133 . 1 1 34 34 HIS HE1 H 1 8.48 . . 1 . . . . . . . . 5 1 134 . 1 1 35 35 ASN H H 1 9.16 . . 1 . . . . . . . . 5 1 135 . 1 1 35 35 ASN HA H 1 4.92 . . 1 . . . . . . . . 5 1 136 . 1 1 36 36 CYS H H 1 9.62 . . 1 . . . . . . . . 5 1 137 . 1 1 36 36 CYS HA H 1 5.43 . . 1 . . . . . . . . 5 1 138 . 1 1 36 36 CYS HB2 H 1 3.28 . . 2 . . . . . . . . 5 1 139 . 1 1 36 36 CYS HB3 H 1 3.51 . . 2 . . . . . . . . 5 1 140 . 1 1 37 37 LYS HD2 H 1 1.82 . . 1 . . . . . . . . 5 1 141 . 1 1 37 37 LYS HD3 H 1 1.82 . . 1 . . . . . . . . 5 1 142 . 1 1 37 37 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 5 1 143 . 1 1 37 37 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 5 1 144 . 1 1 38 38 ALA HA H 1 4.1 . . 1 . . . . . . . . 5 1 145 . 1 1 38 38 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 5 1 146 . 1 1 38 38 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 5 1 147 . 1 1 38 38 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 5 1 148 . 1 1 39 39 HIS H H 1 8.28 . . 1 . . . . . . . . 5 1 149 . 1 1 39 39 HIS HA H 1 4.79 . . 1 . . . . . . . . 5 1 150 . 1 1 39 39 HIS HB2 H 1 3 . . 2 . . . . . . . . 5 1 151 . 1 1 39 39 HIS HB3 H 1 3.22 . . 2 . . . . . . . . 5 1 152 . 1 1 39 39 HIS HD2 H 1 7.33 . . 1 . . . . . . . . 5 1 153 . 1 1 39 39 HIS HE1 H 1 8.62 . . 1 . . . . . . . . 5 1 154 . 1 1 42 42 THR H H 1 8.06 . . 1 . . . . . . . . 5 1 155 . 1 1 42 42 THR HA H 1 4.29 . . 1 . . . . . . . . 5 1 156 . 1 1 42 42 THR HB H 1 4.19 . . 1 . . . . . . . . 5 1 157 . 1 1 42 42 THR HG21 H 1 1.18 . . 1 . . . . . . . . 5 1 158 . 1 1 42 42 THR HG22 H 1 1.18 . . 1 . . . . . . . . 5 1 159 . 1 1 42 42 THR HG23 H 1 1.18 . . 1 . . . . . . . . 5 1 160 . 1 1 43 43 ILE H H 1 7.39 . . 1 . . . . . . . . 5 1 161 . 1 1 43 43 ILE HA H 1 4.06 . . 1 . . . . . . . . 5 1 162 . 1 1 43 43 ILE HB H 1 1.73 . . 1 . . . . . . . . 5 1 163 . 1 1 43 43 ILE HG12 H 1 1.02 . . 2 . . . . . . . . 5 1 164 . 1 1 43 43 ILE HG13 H 1 1.34 . . 2 . . . . . . . . 5 1 165 . 1 1 43 43 ILE HG21 H 1 .78 . . 1 . . . . . . . . 5 1 166 . 1 1 43 43 ILE HG22 H 1 .78 . . 1 . . . . . . . . 5 1 167 . 1 1 43 43 ILE HG23 H 1 .78 . . 1 . . . . . . . . 5 1 168 . 1 1 43 43 ILE HD11 H 1 .78 . . 1 . . . . . . . . 5 1 169 . 1 1 43 43 ILE HD12 H 1 .78 . . 1 . . . . . . . . 5 1 170 . 1 1 43 43 ILE HD13 H 1 .78 . . 1 . . . . . . . . 5 1 171 . 1 1 44 44 GLY H H 1 7.68 . . 1 . . . . . . . . 5 1 172 . 1 1 44 44 GLY HA2 H 1 3.56 . . 2 . . . . . . . . 5 1 173 . 1 1 44 44 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 5 1 174 . 1 1 45 45 TRP H H 1 8.27 . . 1 . . . . . . . . 5 1 175 . 1 1 45 45 TRP HA H 1 4.84 . . 1 . . . . . . . . 5 1 176 . 1 1 45 45 TRP HB2 H 1 2.82 . . 2 . . . . . . . . 5 1 177 . 1 1 45 45 TRP HB3 H 1 3.16 . . 2 . . . . . . . . 5 1 178 . 1 1 45 45 TRP HD1 H 1 7.22 . . 1 . . . . . . . . 5 1 179 . 1 1 45 45 TRP HE1 H 1 9.28 . . 1 . . . . . . . . 5 1 180 . 1 1 45 45 TRP HE3 H 1 7.8 . . 1 . . . . . . . . 5 1 181 . 1 1 45 45 TRP HZ2 H 1 7.44 . . 1 . . . . . . . . 5 1 182 . 1 1 45 45 TRP HZ3 H 1 7.16 . . 1 . . . . . . . . 5 1 183 . 1 1 45 45 TRP HH2 H 1 7.22 . . 1 . . . . . . . . 5 1 184 . 1 1 46 46 CYS H H 1 10.55 . . 1 . . . . . . . . 5 1 185 . 1 1 46 46 CYS HA H 1 5.26 . . 1 . . . . . . . . 5 1 186 . 1 1 46 46 CYS HB2 H 1 3.16 . . 2 . . . . . . . . 5 1 187 . 1 1 46 46 CYS HB3 H 1 2.53 . . 2 . . . . . . . . 5 1 188 . 1 1 47 47 CYS H H 1 8.96 . . 1 . . . . . . . . 5 1 189 . 1 1 47 47 CYS HA H 1 5.88 . . 1 . . . . . . . . 5 1 190 . 1 1 47 47 CYS HB2 H 1 3.32 . . 1 . . . . . . . . 5 1 191 . 1 1 47 47 CYS HB3 H 1 3.32 . . 1 . . . . . . . . 5 1 192 . 1 1 48 48 LYS H H 1 9.48 . . 1 . . . . . . . . 5 1 193 . 1 1 48 48 LYS HA H 1 5.2 . . 1 . . . . . . . . 5 1 194 . 1 1 48 48 LYS HB2 H 1 1.98 . . 1 . . . . . . . . 5 1 195 . 1 1 48 48 LYS HB3 H 1 1.98 . . 1 . . . . . . . . 5 1 196 . 1 1 48 48 LYS HD2 H 1 1.82 . . 1 . . . . . . . . 5 1 197 . 1 1 48 48 LYS HD3 H 1 1.82 . . 1 . . . . . . . . 5 1 198 . 1 1 48 48 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 5 1 199 . 1 1 48 48 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 5 1 stop_ save_