data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5755_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 -3.65 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 7.82 _LACS_plot.Line_2_terminator_val_y_2 5.65 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 ARG 5.19 6.76 0 48 VAL 0.62 -2.99 0 10 VAL -3.35 -1.65 1 11 GLU -4.13 -2.12 1 12 ILE -3.60 -2.05 1 13 SER -3.34 -1.99 1 14 TYR -2.30 0.80 1 15 GLU 4.57 1.19 1 16 ASN 2.11 0.22 1 17 MET -2.86 -0.66 1 18 ARG -2.40 0.61 1 19 PHE -6.67 -2.38 1 20 LEU -6.75 -2.35 1 21 ILE 1.03 -0.13 1 22 THR -3.39 -3.17 1 23 HIS -3.45 -0.57 1 24 ASN -1.91 -1.33 1 26 THR -5.61 -3.25 1 28 ALA 1.51 1.47 1 29 THR -0.77 -1.53 1 30 LEU 2.39 2.41 1 31 ASN 5.68 3.51 1 32 LYS 3.02 1.70 1 33 PHE 2.86 3.15 1 34 THR 7.00 5.09 1 35 GLU 3.33 3.05 1 36 GLU 3.08 3.07 1 37 LEU 5.02 3.07 1 38 LYS 4.54 3.13 1 39 LYS 4.34 2.97 1 40 TYR -0.05 1.29 1 42 VAL 0.43 -0.22 1 43 THR -1.14 -1.07 1 44 THR -2.56 0.67 1 45 LEU -6.07 -2.47 1 46 VAL -0.69 -1.06 1 47 ARG -0.52 -0.34 1 50 ASP 1.24 0.53 1 51 ALA 0.06 -0.03 1 52 THR 0.23 -0.65 1 53 TYR -3.94 -3.17 1 54 ASP -0.65 -0.31 1 55 LYS 0.71 0.58 1 56 ALA 5.45 3.35 1 58 VAL 3.96 3.19 1 59 GLU 2.50 2.02 1 60 LYS 3.17 2.24 1 61 GLU -0.25 -1.41 1 63 ILE -0.98 -1.05 1 64 HIS -2.36 0.05 1 65 VAL -0.78 -0.87 1 66 LEU -2.64 -2.43 1 67 ASP -1.41 0.01 1 68 TRP -5.05 -4.54 1 70 PHE -1.28 -1.80 1 71 ASP 1.36 1.39 1 72 ASP 1.73 1.37 1 74 ALA -3.86 -2.60 1 78 ASN 4.75 3.61 1 79 GLN 4.12 2.92 1 80 ILE 4.10 2.76 1 81 VAL 7.83 6.30 1 82 ASP 4.32 3.74 1 83 ASP 5.35 2.85 1 84 TRP 1.14 2.21 1 85 LEU 4.35 3.05 1 86 ASN 3.74 3.07 1 87 LEU 3.32 3.09 1 88 LEU 3.86 2.24 1 89 LYS 3.79 3.19 1 90 THR 4.48 3.81 1 91 LYS 4.42 1.97 1 92 PHE 3.31 0.63 1 93 ARG 1.82 1.85 1 94 GLU 0.97 1.61 1 95 GLU -2.13 -1.14 1 100 VAL -0.97 -0.41 1 101 ALA -7.77 -3.05 1 102 VAL -5.94 -3.70 1 103 HIS -4.05 0.26 1 105 VAL -0.01 -1.31 1 106 ALA 0.42 0.18 1 108 LEU -2.11 0.14 1 113 VAL 7.11 5.08 1 114 LEU 6.31 3.18 1 115 VAL 7.09 5.01 1 116 ALA 4.05 3.30 1 117 LEU 2.71 2.99 1 118 ALA 2.32 2.57 1 119 LEU 5.92 3.09 1 120 ILE 2.33 2.74 1 121 GLU 3.46 2.29 1 124 MET 0.18 1.18 1 125 LYS 0.92 0.56 1 126 TYR 4.20 3.31 1 127 GLU 4.55 3.38 1 128 ASP 3.18 2.13 1 129 ALA 3.78 2.82 1 130 VAL 5.56 4.27 1 131 GLN 4.09 3.08 1 132 PHE 2.20 2.31 1 133 ILE 4.77 3.25 1 134 ARG 3.56 3.07 1 135 GLN 3.70 2.64 1 136 LYS -0.82 -0.19 1 137 ARG -1.41 -2.90 1 138 ARG 3.48 2.24 1 140 ALA 1.34 0.43 1 141 PHE 2.08 2.05 1 142 ASN -2.19 -2.50 1 143 SER 5.41 4.10 1 144 LYS 4.11 3.22 1 145 GLN 5.69 3.26 1 146 LEU 4.14 3.18 1 147 LEU 3.19 2.49 1 148 TYR 3.81 2.96 1 149 LEU 2.49 2.22 1 150 GLU 2.25 1.62 1 151 LYS -0.29 -0.95 1 152 TYR 2.64 1.78 1 153 ARG -2.32 -2.66 1 155 LYS -0.71 -0.45 1 156 MET 4.38 0.28 1 157 ARG 2.13 2.16 1 158 LEU -0.85 -1.74 1 159 ARG -0.08 -0.08 1 160 PHE -0.18 -0.21 1 161 ARG -0.98 -0.50 1 162 ASP 0.03 0.08 1 163 THR -0.62 -0.61 1 164 ASN 0.06 1.89 1 169 VAL 0.15 0.00 1 170 GLN -0.43 -0.35 1 171 LEU 0.02 0.05 1 172 GLU -0.20 1.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5755_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 4.12 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 7.82 _LACS_plot.Line_2_terminator_val_y_2 -2.17 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 ARG 5.19 1.57 0 48 VAL 0.62 -3.61 0 10 VAL -3.35 1.70 1 11 GLU -4.13 2.01 1 12 ILE -3.60 1.55 1 13 SER -3.34 1.35 1 14 TYR -2.30 3.10 1 15 GLU 4.57 -3.38 1 16 ASN 2.11 -1.89 1 17 MET -2.86 2.20 1 18 ARG -2.40 3.01 1 19 PHE -6.67 4.29 1 20 LEU -6.75 4.40 1 21 ILE 1.03 -1.16 1 22 THR -3.39 0.22 1 23 HIS -3.45 2.88 1 24 ASN -1.91 0.58 1 26 THR -5.61 2.36 1 28 ALA 1.51 -0.04 1 29 THR -0.77 -0.76 1 30 LEU 2.39 0.02 1 31 ASN 5.68 -2.17 1 32 LYS 3.02 -1.32 1 33 PHE 2.86 0.29 1 34 THR 7.00 -1.91 1 35 GLU 3.33 -0.28 1 36 GLU 3.08 -0.01 1 37 LEU 5.02 -1.95 1 38 LYS 4.54 -1.41 1 39 LYS 4.34 -1.37 1 40 TYR -0.05 1.34 1 42 VAL 0.43 -0.65 1 43 THR -1.14 0.07 1 44 THR -2.56 3.23 1 45 LEU -6.07 3.60 1 46 VAL -0.69 -0.37 1 47 ARG -0.52 0.18 1 50 ASP 1.24 -0.71 1 51 ALA 0.06 -0.09 1 52 THR 0.23 -0.88 1 53 TYR -3.94 0.77 1 54 ASP -0.65 0.34 1 55 LYS 0.71 -0.13 1 56 ALA 5.45 -2.10 1 58 VAL 3.96 -0.77 1 59 GLU 2.50 -0.48 1 60 LYS 3.17 -0.93 1 61 GLU -0.25 -1.16 1 63 ILE -0.98 -0.07 1 64 HIS -2.36 2.41 1 65 VAL -0.78 -0.09 1 66 LEU -2.64 0.21 1 67 ASP -1.41 1.42 1 68 TRP -5.05 0.51 1 70 PHE -1.28 -0.52 1 71 ASP 1.36 0.03 1 72 ASP 1.73 -0.36 1 74 ALA -3.86 1.26 1 78 ASN 4.75 -1.14 1 79 GLN 4.12 -1.20 1 80 ILE 4.10 -1.34 1 81 VAL 7.83 -1.53 1 82 ASP 4.32 -0.58 1 83 ASP 5.35 -2.50 1 84 TRP 1.14 1.07 1 85 LEU 4.35 -1.30 1 86 ASN 3.74 -0.67 1 87 LEU 3.32 -0.23 1 88 LEU 3.86 -1.62 1 89 LYS 3.79 -0.60 1 90 THR 4.48 -0.67 1 91 LYS 4.42 -2.45 1 92 PHE 3.31 -2.68 1 93 ARG 1.82 0.03 1 94 GLU 0.97 0.64 1 95 GLU -2.13 0.99 1 100 VAL -0.97 0.56 1 101 ALA -7.77 4.72 1 102 VAL -5.94 2.24 1 103 HIS -4.05 4.31 1 105 VAL -0.01 -1.30 1 106 ALA 0.42 -0.24 1 108 LEU -2.11 2.25 1 113 VAL 7.11 -2.03 1 114 LEU 6.31 -3.13 1 115 VAL 7.09 -2.08 1 116 ALA 4.05 -0.75 1 117 LEU 2.71 0.28 1 118 ALA 2.32 0.25 1 119 LEU 5.92 -2.83 1 120 ILE 2.33 0.41 1 121 GLU 3.46 -1.17 1 124 MET 0.18 1.00 1 125 LYS 0.92 -0.36 1 126 TYR 4.20 -0.89 1 127 GLU 4.55 -1.17 1 128 ASP 3.18 -1.05 1 129 ALA 3.78 -0.96 1 130 VAL 5.56 -1.29 1 131 GLN 4.09 -1.01 1 132 PHE 2.20 0.11 1 133 ILE 4.77 -1.52 1 134 ARG 3.56 -0.49 1 135 GLN 3.70 -1.06 1 136 LYS -0.82 0.63 1 137 ARG -1.41 -1.49 1 138 ARG 3.48 -1.24 1 140 ALA 1.34 -0.91 1 141 PHE 2.08 -0.03 1 142 ASN -2.19 -0.31 1 143 SER 5.41 -1.31 1 144 LYS 4.11 -0.89 1 145 GLN 5.69 -2.43 1 146 LEU 4.14 -0.96 1 147 LEU 3.19 -0.70 1 148 TYR 3.81 -0.85 1 149 LEU 2.49 -0.27 1 150 GLU 2.25 -0.63 1 151 LYS -0.29 -0.66 1 152 TYR 2.64 -0.86 1 153 ARG -2.32 -0.34 1 155 LYS -0.71 0.26 1 156 MET 4.38 -4.10 1 157 ARG 2.13 0.03 1 158 LEU -0.85 -0.89 1 159 ARG -0.08 0.00 1 160 PHE -0.18 -0.03 1 161 ARG -0.98 0.48 1 162 ASP 0.03 0.05 1 163 THR -0.62 0.01 1 164 ASN 0.06 1.83 1 169 VAL 0.15 -0.15 1 170 GLN -0.43 0.08 1 171 LEU 0.02 0.03 1 172 GLU -0.20 1.38 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5755_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 0.79 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.82 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 MET -2.86 -1.98 0 10 VAL -3.35 0.25 1 11 GLU -4.13 0.83 1 12 ILE -3.60 0.40 1 13 SER -3.34 -0.59 1 14 TYR -2.30 -0.02 1 15 GLU 4.57 -0.87 1 16 ASN 2.11 -0.19 1 18 ARG -2.40 0.68 1 19 PHE -6.67 1.46 1 20 LEU -6.75 0.81 1 21 ILE 1.03 0.84 1 22 THR -3.39 0.53 1 23 HIS -3.45 0.05 1 24 ASN -1.91 -1.06 1 26 THR -5.61 0.15 1 28 ALA 1.51 0.04 1 29 THR -0.77 0.47 1 30 LEU 2.39 -0.31 1 31 ASN 5.68 -0.19 1 32 LYS 3.02 -0.13 1 33 PHE 2.86 -0.22 1 34 THR 7.00 -0.77 1 35 GLU 3.33 -0.41 1 36 GLU 3.08 -0.25 1 37 LEU 5.02 -0.56 1 38 LYS 4.54 -0.18 1 39 LYS 4.34 -0.34 1 40 TYR -0.05 -0.08 1 42 VAL 0.43 0.38 1 43 THR -1.14 0.40 1 44 THR -2.56 0.82 1 45 LEU -6.07 0.83 1 46 VAL -0.69 0.23 1 47 ARG -0.52 -0.24 1 48 VAL 0.62 0.66 1 50 ASP 1.24 -0.30 1 51 ALA 0.06 -0.20 1 52 THR 0.23 0.15 1 53 TYR -3.94 0.25 1 54 ASP -0.65 -0.14 1 55 LYS 0.71 0.03 1 56 ALA 5.45 -0.13 1 58 VAL 3.96 -0.38 1 59 GLU 2.50 0.33 1 60 LYS 3.17 -0.19 1 61 GLU -0.25 0.13 1 63 ILE -0.98 -0.17 1 64 HIS -2.36 0.02 1 65 VAL -0.78 0.96 1 66 LEU -2.64 0.01 1 67 ASP -1.41 0.67 1 68 TRP -5.05 0.51 1 70 PHE -1.28 0.12 1 71 ASP 1.36 -0.32 1 72 ASP 1.73 -0.52 1 74 ALA -3.86 0.57 1 79 GLN 4.12 -0.43 1 80 ILE 4.10 -0.77 1 81 VAL 7.83 -0.84 1 82 ASP 4.32 -0.31 1 83 ASP 5.35 -0.30 1 84 TRP 1.14 0.34 1 85 LEU 4.35 -0.46 1 86 ASN 3.74 -0.25 1 87 LEU 3.32 -0.13 1 88 LEU 3.86 -1.03 1 89 LYS 3.79 -0.35 1 90 THR 4.48 -0.29 1 91 LYS 4.42 -0.42 1 92 PHE 3.31 0.00 1 93 ARG 1.82 0.05 1 94 GLU 0.97 -0.18 1 95 GLU -2.13 0.13 1 100 VAL -0.97 0.45 1 101 ALA -7.77 1.60 1 102 VAL -5.94 1.63 1 103 HIS -4.05 0.21 1 110 ARG 5.19 -0.92 1 113 VAL 7.11 -0.24 1 114 LEU 6.31 -0.53 1 115 VAL 7.09 -0.90 1 116 ALA 4.05 -0.47 1 117 LEU 2.71 -0.54 1 118 ALA 2.32 -0.33 1 119 LEU 5.92 -0.55 1 120 ILE 2.33 0.56 1 121 GLU 3.46 0.25 1 124 MET 0.18 -0.19 1 125 LYS 0.92 0.00 1 126 TYR 4.20 -0.48 1 127 GLU 4.55 -1.16 1 128 ASP 3.18 -0.20 1 129 ALA 3.78 -0.05 1 130 VAL 5.56 -0.55 1 131 GLN 4.09 -0.25 1 132 PHE 2.20 -0.24 1 133 ILE 4.77 -0.56 1 134 ARG 3.56 -0.05 1 135 GLN 3.70 -0.27 1 136 LYS -0.82 0.07 1 137 ARG -1.41 0.15 1 138 ARG 3.48 -0.05 1 140 ALA 1.34 -0.16 1 141 PHE 2.08 -0.83 1 142 ASN -2.19 0.24 1 143 SER 5.41 -0.28 1 144 LYS 4.11 -0.20 1 145 GLN 5.69 -0.44 1 146 LEU 4.14 -0.39 1 147 LEU 3.19 -0.24 1 148 TYR 3.81 -0.45 1 149 LEU 2.49 -0.70 1 150 GLU 2.25 -2.00 1 151 LYS -0.29 -0.24 1 152 TYR 2.64 -0.78 1 153 ARG -2.32 0.20 1 155 LYS -0.71 0.21 1 156 MET 4.38 0.10 1 157 ARG 2.13 -0.20 1 158 LEU -0.85 0.24 1 159 ARG -0.08 0.12 1 160 PHE -0.18 0.10 1 161 ARG -0.98 0.09 1 163 THR -0.62 0.05 1 164 ASN 0.06 -0.23 1 169 VAL 0.15 0.04 1 170 GLN -0.43 0.08 1 171 LEU 0.02 0.07 1 172 GLU -0.20 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5755_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.77 _LACS_plot.Line_1_terminator_val_y_1 -3.95 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 7.82 _LACS_plot.Line_2_terminator_val_y_2 3.27 _LACS_plot.Y_axis_chem_shift_offset 0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 ILE 2.33 5.06 0 59 GLU 2.50 5.27 0 15 GLU 4.57 -2.87 0 10 VAL -3.35 -2.98 1 11 GLU -4.13 -1.03 1 12 ILE -3.60 -2.17 1 13 SER -3.34 -1.27 1 14 TYR -2.30 -2.29 1 16 ASN 2.11 -1.29 1 17 MET -2.86 -1.26 1 18 ARG -2.40 -2.93 1 19 PHE -6.67 -1.14 1 20 LEU -6.75 -1.54 1 21 ILE 1.03 0.07 1 22 THR -3.39 -2.59 1 23 HIS -3.45 -1.31 1 28 ALA 1.51 1.33 1 29 THR -0.77 0.94 1 31 ASN 5.68 2.40 1 32 LYS 3.02 2.23 1 33 PHE 2.86 1.36 1 34 THR 7.00 1.77 1 35 GLU 3.33 2.53 1 36 GLU 3.08 1.39 1 37 LEU 5.02 2.44 1 38 LYS 4.54 4.28 1 39 LYS 4.34 1.41 1 40 TYR -0.05 0.06 1 42 VAL 0.43 0.31 1 43 THR -1.14 0.26 1 44 THR -2.56 -4.68 1 45 LEU -6.07 -4.91 1 46 VAL -0.69 -2.51 1 47 ARG -0.52 -0.44 1 48 VAL 0.62 -2.98 1 50 ASP 1.24 -0.40 1 51 ALA 0.06 1.00 1 52 THR 0.23 -1.10 1 53 TYR -3.94 -1.87 1 54 ASP -0.65 -1.25 1 55 LYS 0.71 1.43 1 58 VAL 3.96 1.90 1 60 LYS 3.17 1.19 1 61 GLU -0.25 -0.54 1 63 ILE -0.98 -2.58 1 64 HIS -2.36 0.32 1 65 VAL -0.78 -1.36 1 66 LEU -2.64 -3.78 1 67 ASP -1.41 -2.26 1 70 PHE -1.28 -2.08 1 71 ASP 1.36 -0.66 1 72 ASP 1.73 1.64 1 78 ASN 4.75 1.67 1 79 GLN 4.12 1.27 1 80 ILE 4.10 0.39 1 81 VAL 7.83 1.08 1 82 ASP 4.32 2.31 1 83 ASP 5.35 2.86 1 84 TRP 1.14 0.26 1 85 LEU 4.35 2.04 1 86 ASN 3.74 2.70 1 87 LEU 3.32 0.60 1 88 LEU 3.86 0.46 1 89 LYS 3.79 1.89 1 90 THR 4.48 1.68 1 91 LYS 4.42 1.91 1 92 PHE 3.31 1.28 1 93 ARG 1.82 1.05 1 94 GLU 0.97 0.61 1 100 VAL -0.97 -1.05 1 101 ALA -7.77 -2.15 1 102 VAL -5.94 -2.58 1 103 HIS -4.05 -2.74 1 105 VAL -0.01 0.89 1 106 ALA 0.42 0.63 1 113 VAL 7.11 0.06 1 114 LEU 6.31 2.66 1 115 VAL 7.09 0.28 1 116 ALA 4.05 1.05 1 117 LEU 2.71 0.91 1 118 ALA 2.32 1.01 1 119 LEU 5.92 2.45 1 121 GLU 3.46 -0.45 1 124 MET 0.18 -0.10 1 125 LYS 0.92 2.00 1 126 TYR 4.20 -0.12 1 127 GLU 4.55 2.62 1 128 ASP 3.18 1.59 1 129 ALA 3.78 1.32 1 130 VAL 5.56 2.01 1 131 GLN 4.09 1.81 1 132 PHE 2.20 2.30 1 133 ILE 4.77 1.90 1 134 ARG 3.56 1.60 1 135 GLN 3.70 1.63 1 136 LYS -0.82 -0.37 1 137 ARG -1.41 -3.36 1 138 ARG 3.48 1.58 1 140 ALA 1.34 -0.83 1 141 PHE 2.08 -0.45 1 143 SER 5.41 2.20 1 144 LYS 4.11 3.54 1 145 GLN 5.69 1.89 1 146 LEU 4.14 1.19 1 147 LEU 3.19 1.15 1 148 TYR 3.81 2.00 1 149 LEU 2.49 -0.70 1 150 GLU 2.25 1.26 1 151 LYS -0.29 -0.54 1 152 TYR 2.64 -0.55 1 155 LYS -0.71 -0.42 1 156 MET 4.38 1.59 1 157 ARG 2.13 0.90 1 158 LEU -0.85 -2.32 1 159 ARG -0.08 -0.64 1 160 PHE -0.18 -0.34 1 161 ARG -0.98 -0.95 1 162 ASP 0.03 -0.04 1 163 THR -0.62 -1.08 1 164 ASN 0.06 1.21 1 169 VAL 0.15 -0.73 1 170 GLN -0.43 -0.56 1 171 LEU 0.02 -1.25 1 stop_ save_