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 bmr7138_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.84 _LACS_plot.Line_1_terminator_val_y_1 -3.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.01 _LACS_plot.Line_2_terminator_val_x_2 7.74 _LACS_plot.Line_2_terminator_val_y_2 5.29 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 223 ARG 0.37 -4.50 0 145 LEU 1.69 -3.86 0 10 VAL -1.35 -0.61 1 11 GLU -6.34 -2.88 1 12 ALA 1.69 -0.54 1 13 ILE 3.57 2.87 1 14 THR -4.49 -3.24 1 15 ASP 3.05 1.72 1 16 THR -1.07 -0.64 1 17 VAL -0.13 -0.44 1 18 TYR -3.74 -1.59 1 19 ARG -1.05 -1.19 1 20 VAL -3.58 -1.82 1 21 ARG -1.36 -1.10 1 22 ILE -5.12 -3.58 1 23 VAL -1.80 -0.72 1 25 ASP 1.20 0.05 1 26 ALA -4.61 -2.32 1 27 ALA 0.55 0.11 1 28 PHE -5.33 -3.01 1 29 SER -2.43 -1.25 1 30 PHE -3.64 -1.75 1 31 ARG -3.46 -2.39 1 32 ALA 1.88 1.09 1 34 GLN 0.33 2.31 1 35 TYR -3.04 -2.35 1 36 LEU -5.24 -3.45 1 37 MET -4.29 -2.66 1 38 VAL 2.14 0.66 1 39 VAL 3.59 0.31 1 40 MET 2.74 -0.10 1 41 ASP -1.14 -1.11 1 42 GLU 3.49 2.47 1 43 ARG -0.27 -1.03 1 44 ASP -1.07 -1.00 1 45 LYS -3.40 -2.09 1 46 ARG -2.14 -1.18 1 48 PHE -3.73 -0.01 1 50 MET 7.75 5.11 1 51 ALA -0.75 -1.37 1 52 SER -2.89 -3.17 1 53 THR -0.02 -1.28 1 55 ASP 1.60 0.40 1 56 GLU 0.47 -1.45 1 57 LYS 0.33 -1.35 1 59 PHE -1.91 -2.11 1 60 ILE -2.66 -0.85 1 61 GLU -6.55 -2.60 1 62 LEU -4.32 -2.43 1 63 HIS -5.31 -2.06 1 64 ILE -0.87 -0.18 1 66 ALA -1.75 -1.43 1 68 GLU 2.74 1.62 1 69 ILE 0.88 -0.11 1 75 ALA 2.97 1.86 1 76 VAL 5.29 3.32 1 77 MET 4.62 -0.37 1 78 ASP 4.23 2.83 1 79 ARG 4.73 2.44 1 80 ILE 6.45 4.91 1 81 LEU 2.70 1.34 1 82 LYS 2.16 1.61 1 83 ASP 0.47 0.66 1 84 HIS 4.82 2.64 1 85 GLN -2.24 -0.90 1 86 ILE -5.89 -2.04 1 87 VAL -0.43 -0.86 1 88 VAL -7.11 -5.33 1 89 ASP -3.91 -1.60 1 90 ILE -7.84 -2.85 1 92 HIS -5.27 0.62 1 94 GLU -2.37 -2.27 1 97 LEU -0.26 -0.11 1 100 ASP 0.85 0.08 1 101 GLU -2.31 -1.19 1 105 MET -5.89 -0.63 1 106 ILE -2.80 -1.14 1 107 LEU -3.71 -2.71 1 108 ILE -2.07 -0.94 1 109 ALA -4.35 -3.48 1 112 THR 3.77 2.08 1 118 ARG 5.99 3.10 1 119 SER 2.79 3.79 1 120 ILE 6.66 4.83 1 121 LEU 3.69 3.03 1 122 LEU 3.71 1.97 1 123 THR 7.37 4.94 1 124 ALA 3.78 2.43 1 125 LEU 2.29 0.62 1 126 ALA 2.89 1.35 1 127 ARG 1.98 1.19 1 128 ASN -1.22 -1.40 1 130 ASN -0.28 -0.47 1 131 ARG 1.70 0.37 1 132 ASP 0.26 -0.54 1 133 ILE -4.57 -1.11 1 134 THR -0.89 -0.94 1 135 ILE -6.34 -4.65 1 136 TYR -3.86 -2.32 1 137 TRP -6.94 -5.38 1 141 GLU -6.69 -3.32 1 142 GLU 4.48 3.10 1 143 GLN 4.12 1.17 1 144 HIS 0.43 2.49 1 146 TYR 1.51 0.70 1 147 ASP -1.01 -1.59 1 148 LEU 5.03 3.03 1 150 GLU 3.51 2.34 1 151 LEU 3.10 2.14 1 152 GLU 3.87 2.58 1 153 ALA 4.21 2.37 1 154 LEU 3.01 2.35 1 155 SER 4.03 2.96 1 156 LEU 2.62 1.23 1 157 LYS -0.87 -0.15 1 158 HIS -0.20 -0.18 1 161 LEU -1.84 -1.44 1 162 GLN -3.36 -1.65 1 163 VAL -1.35 -1.50 1 164 VAL 0.13 -0.74 1 166 VAL -2.36 -1.51 1 167 VAL -5.75 -3.85 1 168 GLU 1.89 2.71 1 169 GLN -0.74 -1.65 1 171 GLU -2.39 -2.08 1 172 ALA 2.92 1.43 1 174 TRP -1.43 -0.41 1 175 ARG 0.43 -1.23 1 177 ARG -1.29 -2.24 1 178 THR -2.45 -1.25 1 180 THR -2.70 -1.72 1 181 VAL 3.16 2.35 1 182 LEU 4.76 2.06 1 183 THR 5.39 3.76 1 184 ALA 3.38 2.18 1 185 VAL 5.57 3.37 1 186 LEU 3.47 2.00 1 187 GLN 3.03 1.57 1 188 ASP 0.76 1.08 1 189 HIS -2.92 0.14 1 191 THR -2.12 -2.81 1 192 LEU -0.89 -1.30 1 193 ALA 2.34 2.94 1 194 GLU -0.08 -1.36 1 195 HIS -1.56 2.45 1 196 ASP -1.20 -0.73 1 197 ILE -2.71 -1.17 1 198 TYR -2.39 -1.79 1 199 ILE -5.18 -1.96 1 200 ALA -6.63 -1.16 1 204 GLU 4.27 2.77 1 205 MET 4.06 2.38 1 206 ALA 3.75 2.25 1 207 LYS 4.85 3.60 1 208 ILE 3.94 2.63 1 209 ALA 2.90 1.72 1 210 ARG 5.22 3.39 1 211 ASP 3.92 2.79 1 212 LEU 2.13 2.23 1 213 PHE 3.64 -1.07 1 215 SER 2.65 2.36 1 216 GLU -0.45 -0.20 1 217 ARG -3.57 -3.54 1 218 ASN 3.02 1.33 1 219 ALA 0.41 -0.46 1 220 ARG 0.04 -1.49 1 221 GLU 3.72 2.43 1 222 ASP 1.93 -0.48 1 224 LEU -1.59 -2.03 1 225 PHE -4.71 -2.30 1 227 ASP 4.72 3.82 1 228 ALA 0.94 1.03 1 229 PHE 2.80 -0.28 1 230 ALA 0.73 0.01 1 231 PHE -1.46 0.56 1 232 ILE 0.49 1.11 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7138_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.84 _LACS_plot.Line_1_terminator_val_y_1 3.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 7.74 _LACS_plot.Line_2_terminator_val_y_2 -2.45 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 223 ARG 0.37 -4.87 0 145 LEU 1.69 -5.55 0 10 VAL -1.35 0.74 1 11 GLU -6.34 3.46 1 12 ALA 1.69 -2.23 1 13 ILE 3.57 -0.70 1 14 THR -4.49 1.25 1 15 ASP 3.05 -1.33 1 16 THR -1.07 0.43 1 17 VAL -0.13 -0.31 1 18 TYR -3.74 2.15 1 19 ARG -1.05 -0.14 1 20 VAL -3.58 1.76 1 21 ARG -1.36 0.26 1 22 ILE -5.12 1.54 1 23 VAL -1.80 1.08 1 25 ASP 1.20 -1.15 1 26 ALA -4.61 2.29 1 27 ALA 0.55 -0.44 1 28 PHE -5.33 2.32 1 29 SER -2.43 1.18 1 30 PHE -3.64 1.89 1 31 ARG -3.46 1.07 1 32 ALA 1.88 -0.79 1 34 GLN 0.33 1.98 1 35 TYR -3.04 0.69 1 36 LEU -5.24 1.79 1 37 MET -4.29 1.63 1 38 VAL 2.14 -1.48 1 39 VAL 3.59 -3.28 1 40 MET 2.74 -2.84 1 41 ASP -1.14 0.03 1 42 GLU 3.49 -1.02 1 43 ARG -0.27 -0.76 1 44 ASP -1.07 0.07 1 45 LYS -3.40 1.31 1 46 ARG -2.14 0.96 1 48 PHE -3.73 3.72 1 50 MET 7.75 -2.64 1 51 ALA -0.75 -0.62 1 52 SER -2.89 -0.28 1 53 THR -0.02 -1.26 1 55 ASP 1.60 -1.20 1 56 GLU 0.47 -1.92 1 57 LYS 0.33 -1.68 1 59 PHE -1.91 -0.20 1 60 ILE -2.66 1.81 1 61 GLU -6.55 3.95 1 62 LEU -4.32 1.89 1 63 HIS -5.31 3.25 1 64 ILE -0.87 0.69 1 66 ALA -1.75 0.32 1 68 GLU 2.74 -1.12 1 69 ILE 0.88 -0.99 1 75 ALA 2.97 -1.11 1 76 VAL 5.29 -1.97 1 77 MET 4.62 -4.99 1 78 ASP 4.23 -1.40 1 79 ARG 4.73 -2.29 1 80 ILE 6.45 -1.54 1 81 LEU 2.70 -1.36 1 82 LYS 2.16 -0.55 1 83 ASP 0.47 0.19 1 84 HIS 4.82 -2.18 1 85 GLN -2.24 1.34 1 86 ILE -5.89 3.85 1 87 VAL -0.43 -0.43 1 88 VAL -7.11 1.78 1 89 ASP -3.91 2.31 1 90 ILE -7.84 4.99 1 92 HIS -5.27 5.89 1 94 GLU -2.37 0.10 1 97 LEU -0.26 0.15 1 100 ASP 0.85 -0.77 1 101 GLU -2.31 1.12 1 105 MET -5.89 5.26 1 106 ILE -2.80 1.66 1 107 LEU -3.71 1.00 1 108 ILE -2.07 1.13 1 109 ALA -4.35 0.87 1 112 THR 3.77 -1.69 1 118 ARG 5.99 -2.89 1 119 SER 2.79 1.00 1 120 ILE 6.66 -1.83 1 121 LEU 3.69 -0.66 1 122 LEU 3.71 -1.74 1 123 THR 7.37 -2.43 1 124 ALA 3.78 -1.35 1 125 LEU 2.29 -1.67 1 126 ALA 2.89 -1.54 1 127 ARG 1.98 -0.79 1 128 ASN -1.22 -0.18 1 130 ASN -0.28 -0.19 1 131 ARG 1.70 -1.33 1 132 ASP 0.26 -0.80 1 133 ILE -4.57 3.46 1 134 THR -0.89 -0.05 1 135 ILE -6.34 1.69 1 136 TYR -3.86 1.54 1 137 TRP -6.94 1.56 1 141 GLU -6.69 3.37 1 142 GLU 4.48 -1.38 1 143 GLN 4.12 -2.95 1 144 HIS 0.43 2.06 1 146 TYR 1.51 -0.81 1 147 ASP -1.01 -0.58 1 148 LEU 5.03 -2.00 1 150 GLU 3.51 -1.17 1 151 LEU 3.10 -0.96 1 152 GLU 3.87 -1.29 1 153 ALA 4.21 -1.84 1 154 LEU 3.01 -0.66 1 155 SER 4.03 -1.07 1 156 LEU 2.62 -1.39 1 157 LYS -0.87 0.72 1 158 HIS -0.20 0.02 1 161 LEU -1.84 0.40 1 162 GLN -3.36 1.71 1 163 VAL -1.35 -0.15 1 164 VAL 0.13 -0.87 1 166 VAL -2.36 0.85 1 167 VAL -5.75 1.90 1 168 GLU 1.89 0.82 1 169 GLN -0.74 -0.91 1 171 GLU -2.39 0.31 1 172 ALA 2.92 -1.49 1 174 TRP -1.43 1.02 1 175 ARG 0.43 -1.66 1 177 ARG -1.29 -0.95 1 178 THR -2.45 1.20 1 180 THR -2.70 0.98 1 181 VAL 3.16 -0.81 1 182 LEU 4.76 -2.70 1 183 THR 5.39 -1.63 1 184 ALA 3.38 -1.20 1 185 VAL 5.57 -2.20 1 186 LEU 3.47 -1.47 1 187 GLN 3.03 -1.46 1 188 ASP 0.76 0.32 1 189 HIS -2.92 3.06 1 191 THR -2.12 -0.69 1 192 LEU -0.89 -0.41 1 193 ALA 2.34 0.60 1 194 GLU -0.08 -1.28 1 195 HIS -1.56 4.01 1 196 ASP -1.20 0.47 1 197 ILE -2.71 1.54 1 198 TYR -2.39 0.60 1 199 ILE -5.18 3.22 1 200 ALA -6.63 5.47 1 204 GLU 4.27 -1.50 1 205 MET 4.06 -1.68 1 206 ALA 3.75 -1.50 1 207 LYS 4.85 -1.25 1 208 ILE 3.94 -1.31 1 209 ALA 2.90 -1.18 1 210 ARG 5.22 -1.83 1 211 ASP 3.92 -1.13 1 212 LEU 2.13 0.10 1 213 PHE 3.64 -4.71 1 215 SER 2.65 -0.29 1 216 GLU -0.45 0.25 1 217 ARG -3.57 0.03 1 218 ASN 3.02 -1.69 1 219 ALA 0.41 -0.87 1 220 ARG 0.04 -1.53 1 221 GLU 3.72 -1.29 1 222 ASP 1.93 -2.41 1 224 LEU -1.59 -0.44 1 225 PHE -4.71 2.41 1 227 ASP 4.72 -0.90 1 228 ALA 0.94 0.09 1 229 PHE 2.80 -3.08 1 230 ALA 0.73 -0.72 1 231 PHE -1.46 2.02 1 232 ILE 0.49 0.62 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7138_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 7.74 _LACS_plot.Line_2_terminator_val_y_2 2.13 _LACS_plot.Y_axis_chem_shift_offset 0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 MET 7.75 -1.95 0 119 SER 2.79 -4.69 0 10 VAL -1.35 -1.87 1 11 GLU -6.34 -2.05 1 12 ALA 1.69 -0.72 1 13 ILE 3.57 1.14 1 14 THR -4.49 -1.29 1 15 ASP 3.05 0.46 1 16 THR -1.07 -1.79 1 17 VAL -0.13 -2.10 1 18 TYR -3.74 -1.59 1 19 ARG -1.05 -0.49 1 20 VAL -3.58 -2.06 1 21 ARG -1.36 -1.06 1 22 ILE -5.12 -2.11 1 25 ASP 1.20 -1.44 1 26 ALA -4.61 -2.42 1 27 ALA 0.55 -1.71 1 28 PHE -5.33 -2.39 1 29 SER -2.43 -2.33 1 30 PHE -3.64 -3.86 1 31 ARG -3.46 -0.52 1 32 ALA 1.88 -1.02 1 34 GLN 0.33 -1.39 1 35 TYR -3.04 -2.49 1 36 LEU -5.24 -1.59 1 37 MET -4.29 -0.03 1 38 VAL 2.14 -0.48 1 39 VAL 3.59 -0.65 1 40 MET 2.74 1.67 1 41 ASP -1.14 -1.33 1 42 GLU 3.49 0.44 1 43 ARG -0.27 -0.93 1 44 ASP -1.07 -3.37 1 45 LYS -3.40 -0.76 1 51 ALA -0.75 0.00 1 52 SER -2.89 -0.34 1 55 ASP 1.60 -0.41 1 56 GLU 0.47 -2.62 1 57 LYS 0.33 1.44 1 59 PHE -1.91 -3.80 1 60 ILE -2.66 -2.05 1 61 GLU -6.55 -3.20 1 62 LEU -4.32 -1.75 1 63 HIS -5.31 0.61 1 64 ILE -0.87 -1.17 1 68 GLU 2.74 0.65 1 69 ILE 0.88 -0.42 1 75 ALA 2.97 2.79 1 76 VAL 5.29 0.93 1 77 MET 4.62 1.92 1 78 ASP 4.23 2.27 1 79 ARG 4.73 1.87 1 80 ILE 6.45 1.43 1 81 LEU 2.70 0.24 1 82 LYS 2.16 1.11 1 83 ASP 0.47 0.86 1 84 HIS 4.82 -0.66 1 85 GLN -2.24 -2.28 1 86 ILE -5.89 -3.98 1 87 VAL -0.43 -0.62 1 88 VAL -7.11 -3.40 1 89 ASP -3.91 -0.51 1 92 HIS -5.27 -0.47 1 94 GLU -2.37 -0.10 1 97 LEU -0.26 -2.02 1 101 GLU -2.31 -0.54 1 105 MET -5.89 0.45 1 106 ILE -2.80 -2.39 1 107 LEU -3.71 -2.41 1 108 ILE -2.07 -3.14 1 109 ALA -4.35 -1.74 1 118 ARG 5.99 0.76 1 120 ILE 6.66 -0.18 1 121 LEU 3.69 0.00 1 122 LEU 3.71 2.98 1 123 THR 7.37 1.52 1 124 ALA 3.78 3.50 1 125 LEU 2.29 0.86 1 126 ALA 2.89 2.18 1 127 ARG 1.98 1.07 1 130 ASN -0.28 -0.64 1 131 ARG 1.70 -2.23 1 132 ASP 0.26 -1.87 1 133 ILE -4.57 -1.92 1 134 THR -0.89 -1.53 1 135 ILE -6.34 -4.50 1 136 TYR -3.86 -1.40 1 137 TRP -6.94 -1.83 1 141 GLU -6.69 -0.07 1 142 GLU 4.48 2.46 1 143 GLN 4.12 0.77 1 144 HIS 0.43 1.98 1 145 LEU 1.69 -0.35 1 146 TYR 1.51 -1.20 1 147 ASP -1.01 -0.13 1 148 LEU 5.03 0.74 1 150 GLU 3.51 2.44 1 151 LEU 3.10 1.12 1 152 GLU 3.87 3.36 1 153 ALA 4.21 3.67 1 154 LEU 3.01 2.15 1 155 SER 4.03 0.30 1 156 LEU 2.62 0.85 1 157 LYS -0.87 -1.09 1 161 LEU -1.84 -2.23 1 162 GLN -3.36 -2.22 1 163 VAL -1.35 -1.05 1 166 VAL -2.36 -2.16 1 167 VAL -5.75 -0.40 1 168 GLU 1.89 0.86 1 171 GLU -2.39 0.84 1 172 ALA 2.92 1.39 1 174 TRP -1.43 1.46 1 177 ARG -1.29 1.50 1 178 THR -2.45 -0.61 1 180 THR -2.70 2.35 1 181 VAL 3.16 -1.02 1 182 LEU 4.76 0.82 1 183 THR 5.39 1.46 1 184 ALA 3.38 0.29 1 185 VAL 5.57 2.17 1 186 LEU 3.47 1.82 1 187 GLN 3.03 1.45 1 188 ASP 0.76 0.01 1 191 THR -2.12 -1.82 1 192 LEU -0.89 -0.43 1 193 ALA 2.34 0.86 1 194 GLU -0.08 -1.02 1 195 HIS -1.56 2.89 1 196 ASP -1.20 -0.94 1 197 ILE -2.71 -3.55 1 198 TYR -2.39 -0.01 1 199 ILE -5.18 -2.00 1 200 ALA -6.63 -3.15 1 204 GLU 4.27 1.74 1 205 MET 4.06 0.17 1 206 ALA 3.75 0.14 1 207 LYS 4.85 2.28 1 208 ILE 3.94 1.07 1 209 ALA 2.90 -0.10 1 210 ARG 5.22 1.04 1 211 ASP 3.92 2.75 1 212 LEU 2.13 2.14 1 213 PHE 3.64 4.11 1 215 SER 2.65 1.86 1 216 GLU -0.45 2.24 1 217 ARG -3.57 -1.30 1 218 ASN 3.02 -1.63 1 219 ALA 0.41 -0.96 1 220 ARG 0.04 1.76 1 221 GLU 3.72 0.16 1 222 ASP 1.93 -1.19 1 223 ARG 0.37 -4.84 1 224 LEU -1.59 -3.22 1 225 PHE -4.71 -1.06 1 227 ASP 4.72 1.11 1 228 ALA 0.94 1.02 1 229 PHE 2.80 0.03 1 230 ALA 0.73 -0.40 1 231 PHE -1.46 -0.58 1 stop_ save_