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 bmr27588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.57 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.94 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 4.69 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 VAL -8.37 -2.36 0 35 LEU 4.15 2.71 1 36 VAL 4.57 1.98 1 37 ASN 2.21 1.18 1 38 ALA 1.30 0.66 1 39 VAL 0.71 -1.15 1 41 GLN 5.45 3.06 1 42 LEU 3.35 2.53 1 43 LYS 3.27 1.37 1 44 ASP 1.13 0.85 1 45 ILE -1.46 -1.13 1 46 ALA -3.77 -1.48 1 47 ASN 0.08 -1.19 1 48 VAL -0.84 -1.31 1 49 LYS -3.28 -1.92 1 51 GLU -4.87 -1.59 1 53 VAL 3.08 2.41 1 54 VAL -5.08 -3.15 1 59 GLN 6.10 1.88 1 60 ASP 0.51 -0.47 1 61 MET 2.18 -0.89 1 62 ASN -3.26 -1.35 1 63 ASP 2.12 1.77 1 64 ASN 4.33 3.18 1 65 VAL 6.11 3.71 1 66 TRP 4.78 1.22 1 67 LEU 4.32 3.07 1 68 THR 6.50 4.76 1 71 LYS 4.19 3.07 1 72 LYS 3.79 1.97 1 74 ASN 4.43 2.08 1 75 THR 5.14 3.87 1 76 ASP 2.50 0.34 1 78 ASP 2.29 0.61 1 79 LYS 0.09 -0.87 1 80 THR -2.15 -2.76 1 81 ASP 1.27 1.02 1 83 PHE -2.05 -0.80 1 85 ILE -4.85 -4.90 1 87 HIS -4.49 0.15 1 92 MET 3.75 4.04 1 93 GLU 0.53 0.68 1 94 GLU 2.21 1.99 1 95 THR 5.61 2.71 1 103 VAL 3.32 1.47 1 104 LYS -1.15 -4.29 1 106 ASP 1.65 -0.18 1 107 LYS -0.38 -3.42 1 112 VAL -3.70 -1.10 1 114 ALA -2.71 -3.46 1 116 ARG -0.87 -0.47 1 138 ASP 4.35 2.14 1 139 LYS 1.77 0.52 1 140 ALA 1.32 -0.02 1 141 SER 0.36 -0.47 1 142 ALA 3.73 1.68 1 143 ASN -1.34 -1.27 1 144 ARG 3.54 1.20 1 146 VAL -2.81 -1.39 1 156 ASP 4.11 2.78 1 158 ARG -1.15 0.95 1 159 ASP 3.69 -0.69 1 160 VAL 1.14 0.34 1 162 LYS 1.14 1.80 1 163 THR 5.46 4.00 1 165 THR -0.34 0.72 1 166 THR -0.86 -0.54 1 167 ASP 5.17 2.32 1 168 VAL -0.73 -1.37 1 169 ALA 3.10 1.11 1 170 THR 6.12 3.44 1 171 PHE -6.24 -2.29 1 172 LYS 1.07 -0.80 1 173 SER 3.33 1.33 1 174 VAL 1.24 1.97 1 175 ASN 0.42 1.38 1 176 TYR 5.36 2.14 1 181 TYR -8.57 -4.57 1 182 ILE -2.70 -2.14 1 186 LYS -0.65 -0.81 1 187 ILE -1.31 -2.09 1 188 ASP 2.07 2.60 1 189 TYR -1.19 0.06 1 194 ALA 1.49 -0.70 1 195 ARG 0.80 0.76 1 196 LYS -5.06 -1.11 1 197 HIS -0.61 0.98 1 198 THR 3.76 2.17 1 199 SER -0.47 -0.42 1 200 ASP 1.19 -1.95 1 201 THR 1.35 -1.30 1 203 PHE -2.56 -2.18 1 204 ASP 0.76 -2.24 1 205 VAL 2.03 0.06 1 213 LYS -2.35 -0.00 1 214 VAL 4.00 1.96 1 228 ALA 4.09 2.83 1 229 LYS 3.04 1.47 1 230 ALA 3.36 -0.94 1 231 LEU 4.22 2.41 1 233 ASP -0.93 -1.07 1 234 ALA 6.24 3.00 1 236 TYR 0.71 2.38 1 237 ASP -2.35 -3.55 1 244 VAL 0.80 0.07 1 248 ASN -3.46 -1.68 1 249 LEU 0.69 0.86 1 250 TYR 5.94 3.73 1 251 LYS 4.85 2.64 1 252 SER 6.48 4.06 1 253 VAL 5.05 2.83 1 254 PHE 4.72 3.24 1 255 ASP 6.80 5.07 1 256 THR 6.10 2.08 1 257 LEU 4.48 2.59 1 258 ALA 6.02 4.25 1 259 THR 4.05 1.68 1 260 ALA 3.03 1.35 1 261 ALA 2.91 1.32 1 262 LYS 0.51 -0.72 1 263 THR 3.34 1.92 1 265 THR -1.56 -0.99 1 266 ALA -2.52 -1.55 1 267 VAL -1.41 -2.28 1 271 SER 2.23 -0.85 1 272 ARG -4.45 -2.30 1 273 VAL -4.72 -2.10 1 275 THR -2.74 -2.69 1 277 ALA 4.88 1.19 1 278 THR -1.58 -1.14 1 279 THR -0.50 0.26 1 280 GLN 2.61 0.96 1 281 ASP 0.42 -1.10 1 282 ALA 1.16 0.83 1 283 GLU -0.91 -0.96 1 284 VAL 0.66 -2.17 1 285 ASP 5.38 4.82 1 286 ASP 3.36 1.43 1 287 ALA 3.42 1.57 1 288 LYS 2.07 0.51 1 289 TYR -5.16 -5.69 1 291 PHE -3.07 -2.12 1 292 VAL -1.67 -1.51 1 293 ALA 3.57 1.63 1 296 THR 1.35 -0.33 1 297 LEU 1.44 -1.81 1 298 ASN 1.76 1.57 1 311 THR -1.32 -0.24 1 312 GLN 0.34 -1.60 1 313 THR -1.24 -1.93 1 314 LYS -2.04 -0.93 1 315 ASP 4.89 2.97 1 317 GLN 3.62 1.88 1 318 GLN 7.73 4.92 1 319 ILE 4.01 2.46 1 320 GLN 3.68 3.83 1 321 GLN 6.49 5.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.57 _LACS_plot.Line_1_terminator_val_y_1 4.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.06 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -3.03 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 VAL -8.37 6.01 0 35 LEU 4.15 -1.44 1 36 VAL 4.57 -2.59 1 37 ASN 2.21 -1.03 1 38 ALA 1.30 -0.64 1 39 VAL 0.71 -1.86 1 41 GLN 5.45 -2.39 1 42 LEU 3.35 -0.82 1 43 LYS 3.27 -1.90 1 44 ASP 1.13 -0.28 1 45 ILE -1.46 0.33 1 46 ALA -3.77 2.29 1 47 ASN 0.08 -1.27 1 48 VAL -0.84 -0.47 1 49 LYS -3.28 1.36 1 51 GLU -4.87 3.28 1 53 VAL 3.08 -0.67 1 54 VAL -5.08 1.93 1 59 GLN 6.10 -4.22 1 60 ASP 0.51 -0.98 1 61 MET 2.18 -3.07 1 62 ASN -3.26 1.91 1 63 ASP 2.12 -0.35 1 64 ASN 4.33 -1.15 1 65 VAL 6.11 -2.40 1 66 TRP 4.78 -3.56 1 67 LEU 4.32 -1.25 1 68 THR 6.50 -1.74 1 71 LYS 4.19 -1.12 1 72 LYS 3.79 -1.82 1 74 ASN 4.43 -2.35 1 75 THR 5.14 -1.27 1 76 ASP 2.50 -2.16 1 78 ASP 2.29 -1.68 1 79 LYS 0.09 -0.96 1 80 THR -2.15 -0.61 1 81 ASP 1.27 -0.25 1 83 PHE -2.05 1.25 1 85 ILE -4.85 -0.05 1 87 HIS -4.49 4.64 1 92 MET 3.75 0.29 1 93 GLU 0.53 0.15 1 94 GLU 2.21 -0.22 1 95 THR 5.61 -2.90 1 103 VAL 3.32 -1.85 1 104 LYS -1.15 -3.14 1 106 ASP 1.65 -1.83 1 107 LYS -0.38 -3.04 1 112 VAL -3.70 2.60 1 114 ALA -2.71 -0.75 1 116 ARG -0.87 0.40 1 138 ASP 4.35 -2.21 1 139 LYS 1.77 -1.25 1 140 ALA 1.32 -1.34 1 141 SER 0.36 -0.83 1 142 ALA 3.73 -2.05 1 143 ASN -1.34 0.07 1 144 ARG 3.54 -2.34 1 146 VAL -2.81 1.42 1 156 ASP 4.11 -1.33 1 158 ARG -1.15 2.10 1 159 ASP 3.69 -4.38 1 160 VAL 1.14 -0.80 1 162 LYS 1.14 0.66 1 163 THR 5.46 -1.46 1 165 THR -0.34 1.06 1 166 THR -0.86 0.32 1 167 ASP 5.17 -2.85 1 168 VAL -0.73 -0.64 1 169 ALA 3.10 -1.99 1 170 THR 6.12 -2.68 1 171 PHE -6.24 3.95 1 172 LYS 1.07 -1.87 1 173 SER 3.33 -2.00 1 174 VAL 1.24 0.73 1 175 ASN 0.42 0.96 1 176 TYR 5.36 -3.22 1 181 TYR -8.57 4.00 1 182 ILE -2.70 0.56 1 186 LYS -0.65 -0.16 1 187 ILE -1.31 -0.78 1 188 ASP 2.07 0.53 1 189 TYR -1.19 1.25 1 194 ALA 1.49 -2.19 1 195 ARG 0.80 -0.04 1 196 LYS -5.06 3.95 1 197 HIS -0.61 1.59 1 198 THR 3.76 -1.59 1 199 SER -0.47 0.05 1 200 ASP 1.19 -3.14 1 201 THR 1.35 -2.65 1 203 PHE -2.56 0.38 1 204 ASP 0.76 -3.00 1 205 VAL 2.03 -1.97 1 213 LYS -2.35 2.35 1 214 VAL 4.00 -2.04 1 228 ALA 4.09 -1.26 1 229 LYS 3.04 -1.57 1 230 ALA 3.36 -4.30 1 231 LEU 4.22 -1.81 1 233 ASP -0.93 -0.14 1 234 ALA 6.24 -3.24 1 236 TYR 0.71 1.67 1 237 ASP -2.35 -1.20 1 244 VAL 0.80 -0.73 1 248 ASN -3.46 1.78 1 249 LEU 0.69 0.17 1 250 TYR 5.94 -2.21 1 251 LYS 4.85 -2.21 1 252 SER 6.48 -2.42 1 253 VAL 5.05 -2.22 1 254 PHE 4.72 -1.48 1 255 ASP 6.80 -1.73 1 256 THR 6.10 -4.02 1 257 LEU 4.48 -1.89 1 258 ALA 6.02 -1.77 1 259 THR 4.05 -2.37 1 260 ALA 3.03 -1.68 1 261 ALA 2.91 -1.59 1 262 LYS 0.51 -1.23 1 263 THR 3.34 -1.42 1 265 THR -1.56 0.57 1 266 ALA -2.52 0.97 1 267 VAL -1.41 -0.87 1 271 SER 2.23 -3.08 1 272 ARG -4.45 2.15 1 273 VAL -4.72 2.62 1 275 THR -2.74 0.05 1 277 ALA 4.88 -3.69 1 278 THR -1.58 0.44 1 279 THR -0.50 0.76 1 280 GLN 2.61 -1.65 1 281 ASP 0.42 -1.52 1 282 ALA 1.16 -0.33 1 283 GLU -0.91 -0.05 1 284 VAL 0.66 -2.83 1 285 ASP 5.38 -0.56 1 286 ASP 3.36 -1.93 1 287 ALA 3.42 -1.85 1 288 LYS 2.07 -1.56 1 289 TYR -5.16 -0.53 1 291 PHE -3.07 0.95 1 292 VAL -1.67 0.16 1 293 ALA 3.57 -1.94 1 296 THR 1.35 -1.68 1 297 LEU 1.44 -3.25 1 298 ASN 1.76 -0.19 1 311 THR -1.32 1.08 1 312 GLN 0.34 -1.94 1 313 THR -1.24 -0.69 1 314 LYS -2.04 1.11 1 315 ASP 4.89 -1.92 1 317 GLN 3.62 -1.74 1 318 GLN 7.73 -2.81 1 319 ILE 4.01 -1.55 1 320 GLN 3.68 0.15 1 321 GLN 6.49 -1.45 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.57 _LACS_plot.Line_1_terminator_val_y_1 -2.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 1.89 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 VAL -8.37 -0.32 0 312 GLN 0.34 -5.24 0 181 TYR -8.57 0.43 0 35 LEU 4.15 0.15 1 36 VAL 4.57 0.68 1 37 ASN 2.21 1.07 1 38 ALA 1.30 -0.24 1 39 VAL 0.71 2.72 1 41 GLN 5.45 2.46 1 42 LEU 3.35 0.91 1 43 LYS 3.27 0.41 1 44 ASP 1.13 0.10 1 45 ILE -1.46 -1.57 1 46 ALA -3.77 -3.37 1 47 ASN 0.08 -0.23 1 48 VAL -0.84 -0.92 1 49 LYS -3.28 -1.90 1 51 GLU -4.87 -2.71 1 53 VAL 3.08 -0.78 1 54 VAL -5.08 -2.80 1 59 GLN 6.10 -2.17 1 60 ASP 0.51 -0.68 1 61 MET 2.18 -3.80 1 62 ASN -3.26 -1.77 1 63 ASP 2.12 1.12 1 64 ASN 4.33 3.57 1 65 VAL 6.11 1.33 1 66 TRP 4.78 1.42 1 67 LEU 4.32 1.06 1 71 LYS 4.19 2.89 1 72 LYS 3.79 0.64 1 74 ASN 4.43 3.82 1 75 THR 5.14 1.42 1 76 ASP 2.50 0.31 1 78 ASP 2.29 0.71 1 79 LYS 0.09 -1.31 1 80 THR -2.15 -4.01 1 81 ASP 1.27 0.27 1 83 PHE -2.05 -1.69 1 85 ILE -4.85 -1.60 1 87 HIS -4.49 0.27 1 93 GLU 0.53 -0.76 1 94 GLU 2.21 -1.06 1 103 VAL 3.32 -2.21 1 104 LYS -1.15 -1.24 1 106 ASP 1.65 -0.70 1 107 LYS -0.38 -3.24 1 112 VAL -3.70 -1.34 1 114 ALA -2.71 -2.39 1 116 ARG -0.87 2.19 1 138 ASP 4.35 2.67 1 139 LYS 1.77 0.78 1 140 ALA 1.32 -1.62 1 141 SER 0.36 -1.45 1 142 ALA 3.73 -0.04 1 143 ASN -1.34 -2.02 1 144 ARG 3.54 -0.90 1 146 VAL -2.81 -0.63 1 156 ASP 4.11 1.78 1 158 ARG -1.15 1.90 1 159 ASP 3.69 -2.42 1 160 VAL 1.14 -1.00 1 162 LYS 5.46 0.09 1 165 THR -0.34 0.09 1 166 THR -0.86 2.00 1 167 ASP 5.17 2.01 1 168 VAL -0.73 -1.65 1 169 ALA 3.10 0.79 1 170 THR 6.12 -0.67 1 171 PHE -6.24 -1.23 1 172 LYS 1.07 2.95 1 173 SER 3.33 -0.73 1 174 VAL 1.24 1.22 1 175 ASN 0.42 -1.47 1 176 TYR 5.36 -1.49 1 182 ILE -2.70 -1.47 1 186 LYS -0.65 -0.49 1 187 ILE -1.31 0.09 1 188 ASP 2.07 2.67 1 189 TYR -1.19 1.89 1 194 ALA 1.49 0.46 1 195 ARG 0.80 -1.59 1 196 LYS -5.06 1.38 1 197 HIS -0.61 2.74 1 198 THR 3.76 -0.24 1 199 SER -0.47 -0.44 1 200 ASP 1.19 -0.11 1 201 THR 1.35 -1.76 1 203 PHE -2.56 1.04 1 204 ASP 0.76 0.24 1 205 VAL 2.03 -0.47 1 213 LYS -2.35 1.02 1 214 VAL 4.00 0.22 1 228 ALA 4.09 1.34 1 229 LYS 3.04 0.05 1 230 ALA 4.22 1.35 1 233 ASP -0.93 0.11 1 234 ALA 6.24 -0.92 1 236 TYR 0.71 0.56 1 237 ASP -2.35 -0.46 1 244 VAL 0.80 -0.96 1 248 ASN -3.46 -2.39 1 249 LEU 0.69 2.60 1 250 TYR 5.94 -0.31 1 251 LYS 4.85 2.37 1 252 SER 6.48 0.82 1 253 VAL 5.05 1.69 1 254 PHE 4.72 3.00 1 255 ASP 6.80 1.99 1 256 THR 6.10 0.69 1 257 LEU 4.48 3.39 1 258 ALA 6.02 1.81 1 259 THR 4.05 2.11 1 260 ALA 3.03 3.71 1 261 ALA 2.91 1.81 1 262 LYS 0.51 0.44 1 263 THR 3.34 -1.65 1 265 THR -1.56 -1.72 1 266 ALA -2.52 -1.64 1 267 VAL -1.41 -0.80 1 271 SER 2.23 -1.54 1 272 ARG -4.72 -1.23 1 275 THR -2.74 0.30 1 277 ALA 4.88 2.38 1 278 THR -1.58 1.78 1 279 THR -0.50 0.17 1 280 GLN 2.61 -1.29 1 281 ASP 0.42 -0.20 1 282 ALA 1.16 0.03 1 283 GLU -0.91 -1.07 1 284 VAL 0.66 -1.16 1 285 ASP 5.38 2.76 1 286 ASP 3.36 2.19 1 287 ALA 3.42 1.21 1 288 LYS 2.07 -0.59 1 289 TYR -5.16 -0.89 1 291 PHE -3.07 -2.39 1 292 VAL -1.67 1.64 1 293 ALA 3.57 -0.04 1 296 THR 1.35 -2.05 1 297 LEU 1.44 -1.82 1 298 ASN 1.76 0.33 1 311 THR -1.32 -0.56 1 313 THR -1.24 -0.17 1 314 LYS -2.04 0.34 1 315 ASP 4.89 3.65 1 317 GLN 3.62 3.67 1 318 GLN 7.73 1.83 1 319 ILE 4.01 2.09 1 320 GLN 3.68 2.85 1 321 GLN 6.49 2.22 1 stop_ save_