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 bmr19224_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.42 _LACS_plot.Line_1_terminator_val_y_1 -3.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 9.86 _LACS_plot.Line_2_terminator_val_y_2 7.69 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 HIS -9.42 0.44 0 201 PHE 6.13 -2.95 0 12 PHE 4.50 5.11 1 13 GLU 3.69 3.39 1 14 GLN 4.75 3.63 1 16 ASP 3.40 4.12 1 17 LYS 4.30 3.24 1 18 SER -0.18 0.83 1 20 SER 0.91 0.86 1 21 TRP 3.88 3.48 1 22 ALA 4.92 3.59 1 23 ALA 4.25 3.19 1 24 ILE 4.39 2.72 1 25 TYR 5.21 5.06 1 26 GLN 4.88 3.36 1 27 ASP 4.87 4.14 1 28 ILE 5.97 4.37 1 29 ARG 5.29 4.32 1 31 GLU -0.87 0.15 1 32 ALA 0.61 0.83 1 33 SER 0.16 1.53 1 34 ASP -2.73 0.04 1 35 PHE -3.34 -1.98 1 38 ARG 4.76 4.38 1 39 VAL 7.07 5.12 1 40 ALA 0.42 2.53 1 41 LYS 0.02 -0.24 1 42 LEU 0.97 -0.37 1 44 LYS 4.25 2.33 1 45 ASN -0.39 0.35 1 46 LYS 5.84 5.21 1 47 ASN 1.92 0.35 1 48 ARG 0.11 0.59 1 49 ASN -2.84 -0.05 1 50 ARG 3.59 3.67 1 51 TYR -2.85 -1.28 1 53 ASP -0.02 -0.49 1 54 VAL 1.29 1.03 1 55 SER -3.62 -2.08 1 57 PHE -1.51 -1.51 1 58 ASP 5.40 5.26 1 59 HIS 3.40 4.86 1 60 SER -2.69 -2.14 1 61 ARG 2.51 0.25 1 62 ILE -0.55 -3.18 1 63 LYS -0.24 -0.44 1 64 LEU -0.35 -0.40 1 65 HIS 1.68 -0.30 1 66 GLN -2.80 -0.55 1 67 GLU 1.44 2.13 1 68 ASP 2.75 3.11 1 69 ASN 1.53 0.88 1 70 ASP -1.47 -0.49 1 71 TYR 3.30 3.74 1 72 ILE -4.85 -1.63 1 73 ASN 2.66 -0.01 1 74 ALA -4.39 -0.23 1 75 SER -3.95 -0.23 1 76 LEU -0.15 -0.33 1 77 ILE 0.82 -0.19 1 79 MET 0.26 -2.81 1 80 GLU 4.22 4.12 1 81 GLU 3.96 3.06 1 82 ALA 0.49 0.62 1 83 GLN 3.89 0.92 1 84 ARG -6.14 -1.27 1 85 SER -3.97 -1.10 1 86 TYR -7.08 -2.14 1 87 ILE -0.43 -0.12 1 88 LEU -2.59 -0.86 1 89 THR -5.87 -3.33 1 90 GLN -1.53 -2.45 1 93 LEU -1.08 -1.26 1 95 ASN 2.91 1.47 1 96 THR -0.58 -0.42 1 99 HIS -1.09 2.64 1 100 PHE 5.95 4.93 1 104 VAL 2.25 1.75 1 105 TRP -1.53 -0.94 1 110 ARG -1.58 -0.24 1 115 LEU -1.01 -0.40 1 116 ASN -4.16 -0.84 1 118 VAL 6.15 5.16 1 123 SER -2.17 -0.56 1 124 LEU 1.33 0.95 1 127 ALA -0.36 -0.40 1 128 GLN 3.21 0.35 1 129 TYR -0.13 -0.88 1 130 TRP -2.54 -1.48 1 138 MET -5.39 0.36 1 139 ILE -1.82 -0.65 1 140 PHE 1.12 -0.49 1 141 GLU 2.96 2.92 1 142 ASP 4.41 2.09 1 143 THR -0.32 -0.82 1 144 ASN 1.99 1.14 1 145 LEU -5.02 -1.04 1 149 LEU 0.51 0.92 1 151 SER -2.03 0.10 1 152 GLU -4.77 -0.25 1 153 ASP -1.78 -0.57 1 154 ILE 1.90 1.68 1 155 LYS -1.56 -1.69 1 157 TYR -2.33 -1.80 1 158 TYR -3.84 -1.55 1 159 THR -4.15 -0.09 1 168 LEU 3.68 2.24 1 169 THR 5.03 4.20 1 170 THR -0.46 0.30 1 171 GLN 6.20 3.10 1 172 GLU -3.28 0.18 1 173 THR -3.73 -1.04 1 182 THR 2.51 -2.74 1 183 THR 3.33 -2.42 1 184 TRP 3.62 3.42 1 186 ASP 2.89 3.21 1 189 VAL -2.33 -4.05 1 194 ALA 0.77 1.08 1 195 SER 0.46 0.91 1 196 PHE 5.08 -0.50 1 200 LEU 0.99 0.74 1 205 GLU 2.17 2.53 1 206 SER -0.18 2.48 1 208 SER 4.67 5.22 1 209 LEU 1.44 -0.33 1 210 SER -1.04 -0.76 1 212 GLU 2.16 1.37 1 213 HIS -5.38 -0.40 1 216 VAL 1.08 -0.17 1 217 VAL -0.03 -0.23 1 229 THR 6.67 5.65 1 230 PHE 4.56 5.33 1 232 LEU 3.42 3.90 1 233 ALA 5.49 3.37 1 234 ASP 4.06 4.78 1 235 THR 9.09 7.60 1 237 LEU 4.67 3.43 1 239 LEU 3.12 3.30 1 240 MET 4.39 4.79 1 241 ASP 0.64 2.38 1 242 LYS 1.81 2.40 1 243 ARG 1.00 1.28 1 244 LYS 3.64 1.46 1 247 SER 2.40 2.42 1 248 SER 0.02 1.16 1 249 VAL 2.60 1.71 1 250 ASP -2.99 -1.94 1 251 ILE 5.44 4.83 1 252 LYS 6.89 4.71 1 253 LYS 4.32 3.82 1 258 MET 5.38 6.17 1 259 ARG 2.91 2.67 1 260 LYS 4.39 3.13 1 261 PHE 0.33 2.42 1 262 ARG -0.33 1.28 1 268 THR -7.27 -3.27 1 269 ALA 3.79 2.40 1 270 ASP 4.08 3.28 1 271 GLN 4.75 3.89 1 272 LEU 5.14 3.97 1 273 ARG 6.14 4.31 1 274 PHE 4.23 4.73 1 275 SER -3.02 -2.14 1 277 LEU 3.29 3.24 1 278 ALA 9.86 7.54 1 280 ILE -2.29 -2.04 1 283 ALA 3.11 2.91 1 284 LYS 4.40 3.67 1 285 PHE 2.71 2.62 1 286 ILE 3.20 2.45 1 289 ASP -0.14 0.38 1 290 SER 1.88 1.78 1 291 SER 1.88 2.06 1 292 VAL 2.52 1.73 1 296 TRP 1.04 0.44 1 297 LYS 2.33 2.07 1 298 GLU 2.59 0.54 1 299 LEU -2.13 -0.79 1 302 GLU -2.51 0.39 1 303 ASP 0.54 0.88 1 304 LEU 0.45 0.34 1 305 GLU -0.16 0.47 1 309 GLU 0.07 0.60 1 310 HIS -0.01 1.16 1 311 ILE -1.85 -2.12 1 316 ARG -1.15 -1.82 1 319 LYS 3.32 0.71 1 320 ARG 0.66 0.48 1 321 ILE 0.72 0.41 1 322 LEU 0.35 0.18 1 323 GLU -2.13 -1.87 1 325 HIS 5.99 9.00 1 326 ASN 0.70 0.73 1 330 ARG 5.87 3.22 1 331 GLU -0.27 0.34 1 332 PHE -0.02 0.30 1 333 PHE -1.75 -1.76 1 337 GLN 0.83 0.75 1 338 TRP 0.34 0.36 1 339 VAL 0.04 0.27 1 340 LYS 0.81 0.74 1 341 GLU -0.24 0.02 1 342 GLU -0.05 0.48 1 343 THR -0.10 0.54 1 344 GLN -0.16 0.75 1 345 GLU 0.22 0.57 1 346 ASP 0.57 0.84 1 347 LYS 2.62 2.88 1 351 ILE 0.82 0.55 1 352 LYS 0.48 0.41 1 353 GLU -0.19 0.42 1 354 GLU -0.26 0.27 1 355 LYS 0.94 0.79 1 357 SER -0.23 0.45 1 359 LEU 1.29 0.92 1 360 ASN 0.27 0.56 1 361 ALA -0.26 0.21 1 362 ALA 0.24 0.43 1 364 TYR 0.48 0.48 1 366 ILE 1.00 0.87 1 367 GLU 0.79 0.92 1 368 SER 0.51 0.76 1 369 MET 3.90 1.49 1 370 SER 0.46 0.79 1 371 GLN 0.60 0.83 1 372 ASP 0.65 0.99 1 373 THR 0.98 1.29 1 374 GLU 0.55 0.88 1 375 VAL 2.02 1.52 1 376 ARG 1.27 0.99 1 378 ARG 1.49 0.68 1 379 VAL 1.14 0.80 1 380 VAL 1.01 0.91 1 383 SER 0.23 0.68 1 384 LEU 1.15 0.80 1 385 ARG 1.21 0.93 1 387 ALA 0.37 0.62 1 388 GLN 0.35 0.52 1 389 ALA -0.01 0.33 1 390 ALA -0.15 0.23 1 391 SER 1.91 2.66 1 393 ALA 0.26 0.44 1 394 LYS 0.88 0.71 1 396 GLU 0.07 0.64 1 398 SER 0.62 2.12 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19224_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.42 _LACS_plot.Line_1_terminator_val_y_1 5.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 9.86 _LACS_plot.Line_2_terminator_val_y_2 -2.17 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 HIS -9.42 9.86 0 201 PHE 6.13 -9.08 0 12 PHE 4.50 0.61 1 13 GLU 3.69 -0.30 1 14 GLN 4.75 -1.12 1 16 ASP 3.40 0.72 1 17 LYS 4.30 -1.06 1 18 SER -0.18 1.01 1 20 SER 0.91 -0.05 1 21 TRP 3.88 -0.40 1 22 ALA 4.92 -1.33 1 23 ALA 4.25 -1.06 1 24 ILE 4.39 -1.67 1 25 TYR 5.21 -0.15 1 26 GLN 4.88 -1.52 1 27 ASP 4.87 -0.73 1 28 ILE 5.97 -1.60 1 29 ARG 5.29 -0.97 1 31 GLU -0.87 1.02 1 32 ALA 0.61 0.22 1 33 SER 0.16 1.37 1 34 ASP -2.73 2.77 1 35 PHE -3.34 1.36 1 38 ARG 4.76 -0.38 1 39 VAL 7.07 -1.95 1 40 ALA 0.42 2.11 1 41 LYS 0.02 -0.26 1 42 LEU 0.97 -1.34 1 44 LYS 4.25 -1.92 1 45 ASN -0.39 0.74 1 46 LYS 5.84 -0.63 1 47 ASN 1.92 -1.57 1 48 ARG 0.11 0.48 1 49 ASN -2.84 2.79 1 50 ARG 3.59 0.08 1 51 TYR -2.85 1.57 1 53 ASP -0.02 -0.47 1 54 VAL 1.29 -0.26 1 55 SER -3.62 1.54 1 57 PHE -1.51 0.00 1 58 ASP 5.40 -0.14 1 59 HIS 3.40 1.46 1 60 SER -2.69 0.55 1 61 ARG 2.51 -2.26 1 62 ILE -0.55 -2.63 1 63 LYS -0.24 -0.20 1 64 LEU -0.35 -0.05 1 65 HIS 1.68 -1.98 1 66 GLN -2.80 2.25 1 67 GLU 1.44 0.69 1 68 ASP 2.75 0.36 1 69 ASN 1.53 -0.65 1 70 ASP -1.47 0.98 1 71 TYR 3.30 0.44 1 72 ILE -4.85 3.22 1 73 ASN 2.66 -2.67 1 74 ALA -4.39 4.16 1 75 SER -3.95 3.72 1 76 LEU -0.15 -0.18 1 77 ILE 0.82 -1.01 1 79 MET 0.26 -3.07 1 80 GLU 4.22 -0.10 1 81 GLU 3.96 -0.90 1 82 ALA 0.49 0.13 1 83 GLN 3.89 -2.97 1 84 ARG -6.14 4.87 1 85 SER -3.97 2.87 1 86 TYR -7.08 4.94 1 87 ILE -0.43 0.31 1 88 LEU -2.59 1.73 1 89 THR -5.87 2.54 1 90 GLN -1.53 -0.92 1 93 LEU -1.08 -0.18 1 95 ASN 2.91 -1.44 1 96 THR -0.58 0.16 1 99 HIS -1.09 3.73 1 100 PHE 5.95 -1.02 1 104 VAL 2.25 -0.50 1 105 TRP -1.53 0.59 1 110 ARG -1.58 1.34 1 115 LEU -1.01 0.61 1 116 ASN -4.16 3.32 1 118 VAL 6.15 -0.99 1 123 SER -2.17 1.61 1 124 LEU 1.33 -0.38 1 127 ALA -0.36 -0.04 1 128 GLN 3.21 -2.86 1 129 TYR -0.13 -0.75 1 130 TRP -2.54 1.06 1 138 MET -5.39 5.75 1 139 ILE -1.82 1.17 1 140 PHE 1.12 -1.61 1 141 GLU 2.96 -0.04 1 142 ASP 4.41 -2.32 1 143 THR -0.32 -0.50 1 144 ASN 1.99 -0.85 1 145 LEU -5.02 3.98 1 149 LEU 0.51 0.41 1 151 SER -2.03 2.13 1 152 GLU -4.77 4.52 1 153 ASP -1.78 1.21 1 154 ILE 1.90 -0.22 1 155 LYS -1.56 -0.13 1 157 TYR -2.33 0.53 1 158 TYR -3.84 2.29 1 159 THR -4.15 4.06 1 168 LEU 3.68 -1.44 1 169 THR 5.03 -0.83 1 170 THR -0.46 0.76 1 171 GLN 6.20 -3.10 1 172 GLU -3.28 3.46 1 173 THR -3.73 2.69 1 182 THR 2.51 -5.25 1 183 THR 3.33 -5.75 1 184 TRP 3.62 -0.20 1 186 ASP 2.89 0.32 1 189 VAL -2.33 -1.72 1 194 ALA 0.77 0.31 1 195 SER 0.46 0.45 1 196 PHE 5.08 -5.58 1 200 LEU 0.99 -0.25 1 205 GLU 2.17 0.36 1 206 SER -0.18 2.66 1 208 SER 4.67 0.55 1 209 LEU 1.44 -1.77 1 210 SER -1.04 0.28 1 212 GLU 2.16 -0.79 1 213 HIS -5.38 4.98 1 216 VAL 1.08 -1.25 1 217 VAL -0.03 -0.20 1 229 THR 6.67 -1.02 1 230 PHE 4.56 0.77 1 232 LEU 3.42 0.48 1 233 ALA 5.49 -2.12 1 234 ASP 4.06 0.72 1 235 THR 9.09 -1.49 1 237 LEU 4.67 -1.24 1 239 LEU 3.12 0.18 1 240 MET 4.39 0.40 1 241 ASP 0.64 1.74 1 242 LYS 1.81 0.59 1 243 ARG 1.00 0.28 1 244 LYS 3.64 -2.18 1 247 SER 2.40 0.02 1 248 SER 0.02 1.14 1 249 VAL 2.60 -0.89 1 250 ASP -2.99 1.05 1 251 ILE 5.44 -0.61 1 252 LYS 6.89 -2.18 1 253 LYS 4.32 -0.50 1 258 MET 5.38 0.79 1 259 ARG 2.91 -0.24 1 260 LYS 4.39 -1.26 1 261 PHE 0.33 2.09 1 262 ARG -0.33 1.61 1 268 THR -7.27 4.00 1 269 ALA 3.79 -1.39 1 270 ASP 4.08 -0.80 1 271 GLN 4.75 -0.86 1 272 LEU 5.14 -1.17 1 273 ARG 6.14 -1.83 1 274 PHE 4.23 0.50 1 275 SER -3.02 0.88 1 277 LEU 3.29 -0.05 1 278 ALA 9.86 -2.32 1 280 ILE -2.29 0.25 1 283 ALA 3.11 -0.20 1 284 LYS 4.40 -0.73 1 285 PHE 2.71 -0.09 1 286 ILE 3.20 -0.75 1 289 ASP -0.14 0.52 1 290 SER 1.88 -0.10 1 291 SER 1.88 0.18 1 292 VAL 2.52 -0.79 1 296 TRP 1.04 -0.60 1 297 LYS 2.33 -0.26 1 298 GLU 2.59 -2.05 1 299 LEU -2.13 1.34 1 302 GLU -2.51 2.90 1 303 ASP 0.54 0.34 1 304 LEU 0.45 -0.11 1 305 GLU -0.16 0.63 1 309 GLU 0.07 0.53 1 310 HIS -0.01 1.17 1 311 ILE -1.85 -0.27 1 316 ARG -1.15 -0.67 1 319 LYS 3.32 -2.61 1 320 ARG 0.66 -0.18 1 321 ILE 0.72 -0.31 1 322 LEU 0.35 -0.17 1 323 GLU -2.13 0.26 1 325 HIS 5.99 3.01 1 326 ASN 0.70 0.03 1 330 ARG 5.87 -2.65 1 331 GLU -0.27 0.61 1 332 PHE -0.02 0.32 1 333 PHE -1.75 -0.01 1 337 GLN 0.83 -0.08 1 338 TRP 0.34 0.02 1 339 VAL 0.04 0.23 1 340 LYS 0.81 -0.07 1 341 GLU -0.24 0.26 1 342 GLU -0.05 0.53 1 343 THR -0.10 0.64 1 344 GLN -0.16 0.91 1 345 GLU 0.22 0.35 1 346 ASP 0.57 0.27 1 347 LYS 2.62 0.26 1 351 ILE 0.82 -0.27 1 352 LYS 0.48 -0.07 1 353 GLU -0.19 0.61 1 354 GLU -0.26 0.53 1 355 LYS 0.94 -0.15 1 357 SER -0.23 0.68 1 359 LEU 1.29 -0.37 1 360 ASN 0.27 0.29 1 361 ALA -0.26 0.47 1 362 ALA 0.24 0.19 1 364 TYR 0.48 0.00 1 366 ILE 1.00 -0.13 1 367 GLU 0.79 0.13 1 368 SER 0.51 0.25 1 369 MET 3.90 -2.41 1 370 SER 0.46 0.33 1 371 GLN 0.60 0.23 1 372 ASP 0.65 0.34 1 373 THR 0.98 0.31 1 374 GLU 0.55 0.33 1 375 VAL 2.02 -0.50 1 376 ARG 1.27 -0.28 1 378 ARG 1.49 -0.81 1 379 VAL 1.14 -0.34 1 380 VAL 1.01 -0.10 1 383 SER 0.23 0.45 1 384 LEU 1.15 -0.35 1 385 ARG 1.21 -0.28 1 387 ALA 0.37 0.25 1 388 GLN 0.35 0.17 1 389 ALA -0.01 0.34 1 390 ALA -0.15 0.38 1 391 SER 1.91 0.75 1 393 ALA 0.26 0.18 1 394 LYS 0.88 -0.17 1 396 GLU 0.07 0.57 1 398 SER 0.62 1.50 1 stop_ save_