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 bmr6416_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -3.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.39 _LACS_plot.Line_2_terminator_val_x_2 9.60 _LACS_plot.Line_2_terminator_val_y_2 6.22 _LACS_plot.Y_axis_chem_shift_offset 0.91 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 TRP -6.52 -1.43 0 176 ASP -4.76 -0.01 0 395 HIS -7.90 -2.66 0 340 LEU 3.27 -2.02 0 274 ASN 2.03 -2.90 0 87 ASN 2.11 4.73 0 12 VAL -7.41 -4.04 1 13 ASN -0.23 1.25 1 14 VAL 4.51 2.10 1 17 LEU 4.58 -0.63 1 18 ASN -1.58 -1.50 1 20 HIS -5.79 -2.59 1 21 LEU -5.67 -3.55 1 22 TYR 0.50 -1.81 1 25 ASN 3.31 0.85 1 26 GLN 4.27 2.13 1 27 MET -1.49 -1.58 1 30 GLN 6.31 4.10 1 31 SER 4.41 3.11 1 32 MET 2.06 3.00 1 33 VAL -1.00 0.41 1 34 TYR -3.52 -2.53 1 35 GLU -5.13 -1.09 1 37 LEU 3.06 2.67 1 38 VAL -5.36 -4.57 1 39 LYS -4.85 -2.63 1 40 TYR 0.91 0.93 1 41 GLN -4.39 -2.65 1 42 ALA 2.85 1.41 1 43 ASP 1.14 -1.26 1 45 SER -1.59 -1.04 1 46 VAL -5.01 -4.00 1 47 ILE -0.54 -1.07 1 49 TRP 1.06 0.46 1 50 LEU 4.46 2.32 1 51 ALA -2.75 -1.87 1 52 LYS 0.93 0.89 1 53 SER -0.41 -0.97 1 54 TRP -2.14 -1.63 1 55 THR -3.85 -2.92 1 56 HIS -3.03 -2.65 1 57 SER -0.75 -1.15 1 61 LYS 2.74 1.64 1 62 THR 1.87 0.65 1 63 TRP -2.74 -1.52 1 64 THR 0.82 -0.39 1 65 PHE -1.67 -0.78 1 66 THR 1.81 0.22 1 67 LEU -0.06 -1.35 1 68 ARG 1.05 1.80 1 69 ASP -1.04 -1.37 1 70 ASP -0.25 -1.74 1 71 VAL 2.38 0.16 1 72 LYS -3.13 -2.60 1 73 PHE 1.93 1.44 1 75 ASN 0.53 -1.02 1 77 GLU 1.24 0.36 1 79 PHE 2.22 0.12 1 80 ASP -2.78 -2.70 1 81 ALA 3.92 2.28 1 82 GLU 4.55 2.29 1 83 ALA 4.25 1.86 1 84 ALA 4.11 2.30 1 85 ALA 5.98 3.40 1 86 GLU 2.40 1.80 1 88 PHE 6.41 5.81 1 89 ARG 6.78 3.32 1 90 ALA 3.96 2.21 1 91 VAL 6.40 4.38 1 92 LEU 5.17 1.63 1 93 ASP 3.89 1.60 1 94 ASN -4.11 -3.45 1 95 ARG 5.88 4.72 1 103 LEU 3.92 2.75 1 104 ALA 3.76 1.96 1 105 ASN 0.99 0.46 1 106 GLN 0.48 0.22 1 107 ILE 4.10 2.64 1 108 VAL 0.90 -0.09 1 109 ASP -3.53 -0.63 1 110 VAL -1.64 -1.28 1 111 LYS -4.50 -1.94 1 112 ALA 0.80 -1.77 1 113 LEU 1.37 0.12 1 114 SER -1.41 -2.15 1 116 THR -1.06 -1.32 1 117 GLU -3.89 -1.39 1 118 LEU -7.07 -2.66 1 119 GLN -5.25 -1.66 1 120 ILE -2.16 -0.45 1 121 THR -1.18 -1.10 1 122 LEU -5.10 -2.75 1 123 LYS 2.54 1.38 1 124 SER -3.80 -2.30 1 125 ALA 1.79 -0.80 1 126 TYR -0.39 -1.03 1 127 TYR 5.95 2.65 1 133 LEU 2.43 1.12 1 134 ALA -0.94 -0.90 1 135 LEU 1.36 -1.17 1 137 ARG -4.28 -0.98 1 139 PHE 3.55 -0.72 1 140 ARG -2.74 -1.82 1 141 PHE -0.39 1.60 1 142 ILE -5.55 -4.10 1 143 ALA 0.97 -0.51 1 145 SER 4.22 0.89 1 146 GLN -0.77 -2.63 1 147 PHE 1.30 -1.83 1 148 LYS -0.09 -1.03 1 153 MET 5.10 3.09 1 154 ASN -0.80 -0.75 1 156 ILE -6.20 -2.80 1 157 LYS 4.55 1.98 1 158 ALA -1.41 -1.43 1 160 ILE 0.61 -2.62 1 165 TRP -6.55 -3.92 1 166 ILE -4.07 -2.07 1 167 LEU 2.78 -0.26 1 168 GLN -0.45 0.65 1 169 GLU -4.00 -1.27 1 170 SER -1.94 -1.33 1 171 LYS -1.58 -2.22 1 172 LEU 3.41 1.45 1 173 ASN 3.99 1.82 1 174 GLN 0.29 1.94 1 175 TYR -1.03 -1.35 1 177 VAL -2.44 -1.00 1 178 PHE -4.53 -2.32 1 179 VAL -6.23 -4.37 1 180 ARG 0.68 0.23 1 181 ASN -0.11 -2.42 1 182 GLU 2.66 0.19 1 183 ASN -1.17 -1.58 1 184 TYR -0.13 -0.59 1 185 TRP 1.41 -0.57 1 187 GLU 0.48 -0.79 1 188 LYS 1.21 -0.44 1 190 ALA 1.66 0.80 1 191 ILE -0.16 -2.06 1 192 LYS -0.41 0.25 1 193 LYS -3.43 -0.87 1 194 ILE -3.43 -1.73 1 195 THR 0.97 0.25 1 196 PHE -1.26 -1.58 1 197 ASN 0.44 -0.47 1 198 VAL 3.91 0.01 1 199 ILE -1.47 -0.84 1 203 THR 7.09 4.48 1 204 THR 7.15 4.07 1 205 ARG 6.23 5.09 1 206 ALA 3.77 2.63 1 207 VAL 5.34 3.48 1 208 ALA 4.11 1.64 1 209 PHE 5.03 3.55 1 210 GLU 3.62 2.86 1 211 THR 1.19 0.69 1 213 ASP 2.16 1.82 1 214 ILE -4.04 -2.86 1 215 ASP -0.69 1.61 1 216 LEU -3.33 -1.02 1 217 LEU -2.79 -0.70 1 218 TYR -4.77 -2.63 1 220 ASN -0.50 -2.41 1 221 GLU 4.59 0.98 1 227 ASP 4.90 0.93 1 228 THR 6.48 3.32 1 229 PHE 6.55 5.03 1 230 ALA 4.47 2.14 1 231 ARG 5.23 3.18 1 232 PHE 2.82 -0.76 1 233 SER 3.45 1.77 1 234 GLN -0.18 -1.23 1 235 ASN -2.28 -1.85 1 237 ALA 1.43 -0.19 1 238 TYR -5.14 -5.33 1 239 HIS -1.09 -0.20 1 240 THR -4.95 -3.41 1 241 GLN -5.03 -1.69 1 242 LEU -4.14 -1.80 1 243 SER -0.11 0.06 1 246 ILE 1.83 -1.25 1 247 GLU -2.85 -2.41 1 248 THR 0.26 -0.23 1 249 VAL 1.43 -0.15 1 250 MET -5.73 -2.29 1 251 LEU -1.53 -2.52 1 252 ALA -0.54 -1.77 1 253 LEU -0.67 -2.15 1 254 ASN 2.01 0.24 1 255 THR 1.94 1.82 1 256 ALA -2.08 -2.20 1 257 LYS -4.47 -2.45 1 258 ALA 1.68 0.23 1 260 THR 4.30 0.58 1 261 ASN 3.16 0.37 1 262 GLU -1.09 -1.67 1 263 LEU 5.70 3.20 1 264 ALA 2.22 2.11 1 265 VAL 5.51 2.81 1 266 ARG 7.55 4.85 1 267 GLU 2.55 2.53 1 268 ALA 4.64 3.05 1 269 LEU 6.07 2.52 1 270 ASN 1.99 2.98 1 271 TYR 0.61 1.39 1 272 ALA -1.14 0.92 1 273 VAL 0.39 -0.97 1 275 LYS 4.31 3.69 1 276 LYS 5.04 2.66 1 277 SER 3.23 1.55 1 278 LEU 5.56 3.89 1 279 ILE 5.46 2.91 1 280 ASP 4.56 3.03 1 281 ASN 1.85 1.61 1 282 ALA 1.15 -0.03 1 283 LEU 0.62 -2.26 1 284 TYR 6.41 1.87 1 286 THR 0.43 1.02 1 287 GLN -3.82 -2.88 1 288 GLN -2.90 -1.85 1 289 VAL 2.88 1.44 1 290 ALA -2.94 -2.59 1 292 THR -4.45 -3.14 1 293 LEU 5.45 3.42 1 294 PHE -3.63 -3.63 1 295 ALA 2.83 -0.31 1 297 SER 0.58 -1.45 1 298 VAL 2.33 0.61 1 300 TYR 6.30 2.91 1 301 ALA -1.61 -2.21 1 302 ASN 2.79 -1.41 1 303 LEU -2.24 -1.03 1 305 LEU 3.11 -0.65 1 306 LYS 0.89 -0.17 1 308 SER 1.47 -0.78 1 309 GLN -1.12 -1.24 1 310 TYR 0.82 -0.80 1 311 ASP 1.00 -0.56 1 313 GLN 5.25 2.74 1 314 LYS 4.15 1.77 1 315 ALA 3.16 2.50 1 316 LYS 5.39 4.04 1 317 ALA 4.05 2.00 1 318 LEU 3.09 2.21 1 319 LEU 5.74 2.52 1 320 GLU 4.19 2.68 1 321 LYS 4.33 2.12 1 322 ALA -0.68 -1.13 1 324 TRP -0.46 -2.84 1 325 THR -2.51 -2.17 1 326 LEU -2.57 -3.62 1 330 LYS -3.34 -1.97 1 331 ASP -0.85 -1.11 1 332 ILE -2.74 -4.43 1 333 ARG -0.08 0.20 1 334 GLU -7.33 -2.40 1 335 LYS 0.60 -0.73 1 336 ASN 2.89 0.58 1 338 GLN -2.69 -2.59 1 341 ARG -3.04 -2.68 1 342 ILE -4.71 -1.96 1 343 GLU -1.35 -1.08 1 344 LEU -2.05 -1.72 1 345 SER -1.84 -0.45 1 346 PHE -4.11 -2.97 1 347 ILE 2.86 -0.11 1 349 THR 0.66 -1.31 1 350 ASP -1.08 -1.36 1 351 ALA 3.68 2.32 1 352 LEU 4.85 2.29 1 354 LYS 4.76 3.00 1 355 SER 4.37 2.58 1 356 MET 3.11 4.32 1 357 ALA 4.36 2.53 1 358 GLU 3.79 2.32 1 359 ILE 5.23 3.55 1 360 ILE 6.51 4.24 1 361 ARG 5.77 3.58 1 362 ALA 4.54 2.54 1 363 ASP 5.33 3.27 1 364 MET 6.59 3.26 1 365 ARG 4.88 2.06 1 366 GLN 3.37 1.52 1 367 ILE 0.62 -1.31 1 369 ALA -3.44 -3.43 1 370 ASP -1.95 -1.96 1 371 VAL -0.57 -1.99 1 372 SER -1.73 -2.39 1 373 LEU 1.20 -0.77 1 374 ILE 0.06 -1.98 1 376 GLU -7.74 -2.95 1 377 GLU -0.25 -0.79 1 378 GLU 5.09 3.78 1 380 SER 3.40 1.88 1 381 ILE 5.56 0.29 1 382 TYR 4.53 1.41 1 383 ALA 4.44 2.23 1 384 ARG 5.59 4.05 1 385 GLN 5.34 3.38 1 386 ARG 3.11 1.70 1 387 ASP -0.48 -0.58 1 389 ARG 0.57 -2.04 1 390 PHE -3.13 -2.42 1 392 MET -5.63 -1.97 1 393 ILE -5.22 -2.45 1 394 PHE 3.12 2.69 1 400 ALA -0.03 -1.25 1 410 SER 3.34 2.17 1 411 MET 5.83 2.41 1 412 ARG -0.73 -0.30 1 417 ALA 3.88 1.85 1 418 ASP 2.39 3.56 1 419 PHE 5.75 4.64 1 420 GLN 4.18 1.72 1 421 ALA 4.25 1.35 1 422 GLN 1.16 -0.34 1 423 GLN 3.08 1.72 1 425 LEU 0.72 -1.83 1 426 ALA 3.70 1.68 1 427 ASP 0.06 -1.77 1 428 LYS 9.60 5.64 1 430 LEU 4.05 2.37 1 431 ILE 6.01 4.59 1 432 ASP 5.70 3.23 1 433 LYS 4.47 2.83 1 434 GLU 5.12 2.74 1 435 ILE 4.85 3.62 1 437 GLU 2.90 1.94 1 438 VAL 6.19 2.73 1 439 LEU 3.62 1.48 1 440 ALA -2.02 -2.17 1 441 THR 0.75 0.53 1 445 THR 6.91 4.32 1 446 GLN 4.01 1.86 1 447 ARG 3.39 3.05 1 448 GLN 3.58 2.11 1 449 ALA 4.64 2.44 1 450 LEU 4.03 2.60 1 451 TYR 6.23 4.73 1 452 ARG 5.70 2.98 1 453 ASP 4.15 4.48 1 454 ILE 4.07 4.69 1 455 LEU 5.35 2.33 1 456 THR 7.35 5.21 1 457 ARG 6.07 3.91 1 458 LEU 3.52 2.23 1 460 ASP 4.56 2.62 1 461 GLU 0.46 -0.81 1 462 ALA 3.09 -0.48 1 463 VAL 3.45 2.02 1 464 TYR -4.52 -3.18 1 465 LEU -2.81 -1.49 1 467 ILE 1.16 0.70 1 468 SER -4.62 -2.73 1 474 VAL -4.56 -2.33 1 475 VAL -2.92 -2.68 1 476 SER -2.70 -1.30 1 477 LYS 1.79 0.39 1 479 GLU 4.41 2.01 1 480 LEU 2.27 0.51 1 482 ASN 0.98 0.12 1 483 ILE -0.27 -2.76 1 485 TYR -1.26 -1.57 1 486 ALA -0.81 -1.16 1 494 PHE 4.45 4.36 1 495 GLU 5.01 1.47 1 496 GLN -0.59 -0.82 1 497 ILE 3.41 1.44 1 498 LYS -1.54 -1.48 1 500 VAL 0.02 -0.80 1 501 LYS -1.54 -2.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6416_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 4.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.39 _LACS_plot.Line_2_terminator_val_x_2 9.60 _LACS_plot.Line_2_terminator_val_y_2 -3.38 _LACS_plot.Y_axis_chem_shift_offset 0.91 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 TRP -6.52 5.09 0 176 ASP -4.76 4.75 0 395 HIS -7.90 5.24 0 340 LEU 3.27 -5.29 0 274 ASN 2.03 -4.93 0 87 ASN 2.11 2.62 0 12 VAL -7.41 3.37 1 13 ASN -0.23 1.48 1 14 VAL 4.51 -2.41 1 17 LEU 4.58 -5.21 1 18 ASN -1.58 0.08 1 20 HIS -5.79 3.20 1 21 LEU -5.67 2.12 1 22 TYR 0.50 -2.31 1 25 ASN 3.31 -2.46 1 26 GLN 4.27 -2.14 1 27 MET -1.49 -0.09 1 30 GLN 6.31 -2.21 1 31 SER 4.41 -1.30 1 32 MET 2.06 0.94 1 33 VAL -1.00 1.41 1 34 TYR -3.52 0.99 1 35 GLU -5.13 4.04 1 37 LEU 3.06 -0.39 1 38 VAL -5.36 0.79 1 39 LYS -4.85 2.22 1 40 TYR 0.91 0.02 1 41 GLN -4.39 1.74 1 42 ALA 2.85 -1.44 1 43 ASP 1.14 -2.40 1 45 SER -1.59 0.55 1 46 VAL -5.01 1.01 1 47 ILE -0.54 -0.53 1 49 TRP 1.06 -0.60 1 50 LEU 4.46 -2.14 1 51 ALA -2.75 0.88 1 52 LYS 0.93 -0.04 1 53 SER -0.41 -0.56 1 54 TRP -2.14 0.51 1 55 THR -3.85 0.93 1 56 HIS -3.03 0.38 1 57 SER -0.75 -0.40 1 61 LYS 2.74 -1.10 1 62 THR 1.87 -1.22 1 63 TRP -2.74 1.22 1 64 THR 0.82 -1.21 1 65 PHE -1.67 0.89 1 66 THR 1.81 -1.59 1 67 LEU -0.06 -1.29 1 68 ARG 1.05 0.75 1 69 ASP -1.04 -0.33 1 70 ASP -0.25 -1.49 1 71 VAL 2.38 -2.22 1 72 LYS -3.13 0.53 1 73 PHE 1.93 -0.49 1 75 ASN 0.53 -1.55 1 77 GLU 1.24 -0.88 1 79 PHE 2.22 -2.10 1 80 ASP -2.78 0.08 1 81 ALA 3.92 -1.64 1 82 GLU 4.55 -2.26 1 83 ALA 4.25 -2.39 1 84 ALA 4.11 -1.81 1 85 ALA 5.98 -2.58 1 86 GLU 2.40 -0.60 1 88 PHE 6.41 -0.60 1 89 ARG 6.78 -3.46 1 90 ALA 3.96 -1.75 1 91 VAL 6.40 -2.02 1 92 LEU 5.17 -3.54 1 93 ASP 3.89 -2.29 1 94 ASN -4.11 0.66 1 95 ARG 5.88 -1.16 1 103 LEU 3.92 -1.17 1 104 ALA 3.76 -1.80 1 105 ASN 0.99 -0.53 1 106 GLN 0.48 -0.26 1 107 ILE 4.10 -1.46 1 108 VAL 0.90 -0.99 1 109 ASP -3.53 2.90 1 110 VAL -1.64 0.36 1 111 LYS -4.50 2.56 1 112 ALA 0.80 -2.57 1 113 LEU 1.37 -1.25 1 114 SER -1.41 -0.74 1 116 THR -1.06 -0.26 1 117 GLU -3.89 2.50 1 118 LEU -7.07 4.41 1 119 GLN -5.25 3.59 1 120 ILE -2.16 1.71 1 121 THR -1.18 0.08 1 122 LEU -5.10 2.35 1 123 LYS 2.54 -1.16 1 124 SER -3.80 1.50 1 125 ALA 1.79 -2.59 1 126 TYR -0.39 -0.64 1 127 TYR 5.95 -3.30 1 133 LEU 2.43 -1.31 1 134 ALA -0.94 0.04 1 135 LEU 1.36 -2.53 1 137 ARG -4.28 3.30 1 139 PHE 3.55 -4.27 1 140 ARG -2.74 0.92 1 141 PHE -0.39 1.99 1 142 ILE -5.55 1.45 1 143 ALA 0.97 -1.48 1 145 SER 4.22 -3.33 1 146 GLN -0.77 -1.86 1 147 PHE 1.30 -3.13 1 148 LYS -0.09 -0.94 1 153 MET 5.10 -2.01 1 154 ASN -0.80 0.05 1 156 ILE -6.20 3.40 1 157 LYS 4.55 -2.57 1 158 ALA -1.41 -0.02 1 160 ILE 0.61 -3.23 1 165 TRP -6.55 2.63 1 166 ILE -4.07 2.00 1 167 LEU 2.78 -3.04 1 168 GLN -0.45 1.10 1 169 GLU -4.00 2.73 1 170 SER -1.94 0.61 1 171 LYS -1.58 -0.64 1 172 LEU 3.41 -1.96 1 173 ASN 3.99 -2.17 1 174 GLN 0.29 1.65 1 175 TYR -1.03 -0.32 1 177 VAL -2.44 1.44 1 178 PHE -4.53 2.21 1 179 VAL -6.23 1.86 1 180 ARG 0.68 -0.45 1 181 ASN -0.11 -2.31 1 182 GLU 2.66 -2.47 1 183 ASN -1.17 -0.41 1 184 TYR -0.13 -0.46 1 185 TRP 1.41 -1.98 1 187 GLU 0.48 -1.27 1 188 LYS 1.21 -1.65 1 190 ALA 1.66 -0.86 1 191 ILE -0.16 -1.90 1 192 LYS -0.41 0.66 1 193 LYS -3.43 2.56 1 194 ILE -3.43 1.70 1 195 THR 0.97 -0.72 1 196 PHE -1.26 -0.32 1 197 ASN 0.44 -0.91 1 198 VAL 3.91 -3.90 1 199 ILE -1.47 0.63 1 203 THR 7.09 -2.61 1 204 THR 7.15 -3.08 1 205 ARG 6.23 -1.14 1 206 ALA 3.77 -1.14 1 207 VAL 5.34 -1.86 1 208 ALA 4.11 -2.47 1 209 PHE 5.03 -1.48 1 210 GLU 3.62 -0.76 1 211 THR 1.19 -0.50 1 213 ASP 2.16 -0.34 1 214 ILE -4.04 1.18 1 215 ASP -0.69 2.30 1 216 LEU -3.33 2.31 1 217 LEU -2.79 2.09 1 218 TYR -4.77 2.14 1 220 ASN -0.50 -1.91 1 221 GLU 4.59 -3.61 1 227 ASP 4.90 -3.97 1 228 THR 6.48 -3.16 1 229 PHE 6.55 -1.52 1 230 ALA 4.47 -2.33 1 231 ARG 5.23 -2.05 1 232 PHE 2.82 -3.58 1 233 SER 3.45 -1.68 1 234 GLN -0.18 -1.05 1 235 ASN -2.28 0.43 1 237 ALA 1.43 -1.62 1 238 TYR -5.14 -0.19 1 239 HIS -1.09 0.89 1 240 THR -4.95 1.54 1 241 GLN -5.03 3.34 1 242 LEU -4.14 2.34 1 243 SER -0.11 0.17 1 246 ILE 1.83 -3.08 1 247 GLU -2.85 0.44 1 248 THR 0.26 -0.49 1 249 VAL 1.43 -1.58 1 250 MET -5.73 3.44 1 251 LEU -1.53 -0.99 1 252 ALA -0.54 -1.23 1 253 LEU -0.67 -1.48 1 254 ASN 2.01 -1.77 1 255 THR 1.94 -0.12 1 256 ALA -2.08 -0.12 1 257 LYS -4.47 2.02 1 258 ALA 1.68 -1.45 1 260 THR 4.30 -3.72 1 261 ASN 3.16 -2.79 1 262 GLU -1.09 -0.58 1 263 LEU 5.70 -2.50 1 264 ALA 2.22 -0.11 1 265 VAL 5.51 -2.70 1 266 ARG 7.55 -2.70 1 267 GLU 2.55 -0.02 1 268 ALA 4.64 -1.59 1 269 LEU 6.07 -3.55 1 270 ASN 1.99 0.99 1 271 TYR 0.61 0.78 1 272 ALA -1.14 2.06 1 273 VAL 0.39 -1.36 1 275 LYS 4.31 -0.62 1 276 LYS 5.04 -2.38 1 277 SER 3.23 -1.68 1 278 LEU 5.56 -1.67 1 279 ILE 5.46 -2.55 1 280 ASP 4.56 -1.53 1 281 ASN 1.85 -0.24 1 282 ALA 1.15 -1.18 1 283 LEU 0.62 -2.88 1 284 TYR 6.41 -4.54 1 286 THR 0.43 0.59 1 287 GLN -3.82 0.94 1 288 GLN -2.90 1.05 1 289 VAL 2.88 -1.44 1 290 ALA -2.94 0.35 1 292 THR -4.45 1.31 1 293 LEU 5.45 -2.03 1 294 PHE -3.63 0.00 1 295 ALA 2.83 -3.14 1 297 SER 0.58 -2.03 1 298 VAL 2.33 -1.72 1 300 TYR 6.30 -3.39 1 301 ALA -1.61 -0.60 1 302 ASN 2.79 -4.20 1 303 LEU -2.24 1.21 1 305 LEU 3.11 -3.76 1 306 LYS 0.89 -1.06 1 308 SER 1.47 -2.25 1 309 GLN -1.12 -0.12 1 310 TYR 0.82 -1.62 1 311 ASP 1.00 -1.56 1 313 GLN 5.25 -2.51 1 314 LYS 4.15 -2.38 1 315 ALA 3.16 -0.66 1 316 LYS 5.39 -1.35 1 317 ALA 4.05 -2.05 1 318 LEU 3.09 -0.88 1 319 LEU 5.74 -3.22 1 320 GLU 4.19 -1.51 1 321 LYS 4.33 -2.21 1 322 ALA -0.68 -0.45 1 324 TRP -0.46 -2.38 1 325 THR -2.51 0.34 1 326 LEU -2.57 -1.05 1 330 LYS -3.34 1.37 1 331 ASP -0.85 -0.26 1 332 ILE -2.74 -1.69 1 333 ARG -0.08 0.28 1 334 GLU -7.33 4.93 1 335 LYS 0.60 -1.33 1 336 ASN 2.89 -2.31 1 338 GLN -2.69 0.10 1 341 ARG -3.04 0.36 1 342 ILE -4.71 2.75 1 343 GLU -1.35 0.27 1 344 LEU -2.05 0.33 1 345 SER -1.84 1.39 1 346 PHE -4.11 1.14 1 347 ILE 2.86 -2.97 1 349 THR 0.66 -1.97 1 350 ASP -1.08 -0.28 1 351 ALA 3.68 -1.36 1 352 LEU 4.85 -2.56 1 354 LYS 4.76 -1.76 1 355 SER 4.37 -1.79 1 356 MET 3.11 1.21 1 357 ALA 4.36 -1.83 1 358 GLU 3.79 -1.47 1 359 ILE 5.23 -1.68 1 360 ILE 6.51 -2.27 1 361 ARG 5.77 -2.19 1 362 ALA 4.54 -2.00 1 363 ASP 5.33 -2.06 1 364 MET 6.59 -3.33 1 365 ARG 4.88 -2.82 1 366 GLN 3.37 -1.85 1 367 ILE 0.62 -1.93 1 369 ALA -3.44 0.01 1 370 ASP -1.95 -0.01 1 371 VAL -0.57 -1.42 1 372 SER -1.73 -0.66 1 373 LEU 1.20 -1.97 1 374 ILE 0.06 -2.04 1 376 GLU -7.74 4.79 1 377 GLU -0.25 -0.54 1 378 GLU 5.09 -1.31 1 380 SER 3.40 -1.52 1 381 ILE 5.56 -5.27 1 382 TYR 4.53 -3.12 1 383 ALA 4.44 -2.21 1 384 ARG 5.59 -1.54 1 385 GLN 5.34 -1.96 1 386 ARG 3.11 -1.41 1 387 ASP -0.48 -0.10 1 389 ARG 0.57 -2.61 1 390 PHE -3.13 0.71 1 392 MET -5.63 3.66 1 393 ILE -5.22 2.77 1 394 PHE 3.12 -0.43 1 400 ALA -0.03 -1.22 1 410 SER 3.34 -1.17 1 411 MET 5.83 -3.42 1 412 ARG -0.73 0.43 1 417 ALA 3.88 -2.03 1 418 ASP 2.39 1.17 1 419 PHE 5.75 -1.11 1 420 GLN 4.18 -2.46 1 421 ALA 4.25 -2.90 1 422 GLN 1.16 -1.50 1 423 GLN 3.08 -1.36 1 425 LEU 0.72 -2.55 1 426 ALA 3.70 -2.02 1 427 ASP 0.06 -1.83 1 428 LYS 9.60 -3.96 1 430 LEU 4.05 -1.68 1 431 ILE 6.01 -1.42 1 432 ASP 5.70 -2.47 1 433 LYS 4.47 -1.64 1 434 GLU 5.12 -2.38 1 435 ILE 4.85 -1.23 1 437 GLU 2.90 -0.96 1 438 VAL 6.19 -3.46 1 439 LEU 3.62 -2.14 1 440 ALA -2.02 -0.15 1 441 THR 0.75 -0.22 1 445 THR 6.91 -2.59 1 446 GLN 4.01 -2.15 1 447 ARG 3.39 -0.34 1 448 GLN 3.58 -1.47 1 449 ALA 4.64 -2.20 1 450 LEU 4.03 -1.43 1 451 TYR 6.23 -1.50 1 452 ARG 5.70 -2.72 1 453 ASP 4.15 0.33 1 454 ILE 4.07 0.62 1 455 LEU 5.35 -3.02 1 456 THR 7.35 -2.14 1 457 ARG 6.07 -2.16 1 458 LEU 3.52 -1.29 1 460 ASP 4.56 -1.94 1 461 GLU 0.46 -1.27 1 462 ALA 3.09 -3.57 1 463 VAL 3.45 -1.43 1 464 TYR -4.52 1.34 1 465 LEU -2.81 1.32 1 467 ILE 1.16 -0.46 1 468 SER -4.62 1.89 1 474 VAL -4.56 2.23 1 475 VAL -2.92 0.24 1 476 SER -2.70 1.40 1 477 LYS 1.79 -1.40 1 479 GLU 4.41 -2.40 1 480 LEU 2.27 -1.76 1 482 ASN 0.98 -0.86 1 483 ILE -0.27 -2.49 1 485 TYR -1.26 -0.31 1 486 ALA -0.81 -0.35 1 494 PHE 4.45 -0.09 1 495 GLU 5.01 -3.54 1 496 GLN -0.59 -0.23 1 497 ILE 3.41 -1.97 1 498 LYS -1.54 0.06 1 500 VAL 0.02 -0.82 1 501 LYS -1.54 -1.44 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6416_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 9.60 _LACS_plot.Line_2_terminator_val_y_2 2.73 _LACS_plot.Y_axis_chem_shift_offset 0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 340 LEU 3.27 -5.78 0 10 TRP -6.52 -0.02 1 12 VAL -7.41 -1.73 1 13 ASN -0.23 1.51 1 14 VAL 4.51 -1.16 1 17 LEU 4.58 -2.41 1 18 ASN -1.58 1.71 1 20 HIS -5.79 0.76 1 21 LEU -5.67 -4.00 1 22 TYR 0.50 0.29 1 25 ASN 3.31 -0.64 1 26 GLN 4.27 -2.53 1 27 MET -1.49 -1.81 1 30 GLN 6.31 1.91 1 31 SER 4.41 0.20 1 32 MET 2.06 -1.17 1 33 VAL -1.00 -0.65 1 34 TYR -3.52 0.83 1 35 GLU -5.13 -2.76 1 37 LEU 3.06 -0.91 1 38 VAL -5.36 -4.14 1 39 LYS -4.85 -0.22 1 40 TYR 0.91 -1.72 1 41 GLN -4.39 -1.39 1 42 ALA 2.85 0.21 1 43 ASP 1.14 0.54 1 45 SER -1.59 -2.86 1 46 VAL -5.01 -0.04 1 47 ILE -0.54 -1.35 1 49 TRP 1.06 -2.73 1 50 LEU 4.46 0.02 1 51 ALA -2.75 -2.58 1 52 LYS 0.93 0.06 1 53 SER -0.41 -2.21 1 54 TRP -2.14 -2.00 1 55 THR -3.85 -2.65 1 56 HIS -3.03 0.49 1 57 SER -0.75 2.86 1 61 LYS 2.74 -0.87 1 62 THR 1.87 -0.81 1 63 TRP -2.74 -1.25 1 64 THR 0.82 -0.11 1 65 PHE -1.67 -0.65 1 66 THR 1.81 -0.15 1 67 LEU -0.06 -1.06 1 68 ARG 1.05 0.72 1 69 ASP -1.04 0.40 1 70 ASP -0.25 -1.14 1 71 VAL 2.38 -0.68 1 72 LYS -3.13 2.06 1 73 PHE 1.93 3.30 1 75 ASN 0.53 1.04 1 79 PHE 2.22 -3.18 1 80 ASP -2.78 -1.39 1 81 ALA 3.92 1.49 1 82 GLU 4.55 2.28 1 83 ALA 4.25 3.95 1 84 ALA 4.11 1.63 1 85 ALA 5.98 2.33 1 86 GLU 2.40 2.73 1 87 ASN 2.11 1.14 1 88 PHE 6.41 1.75 1 89 ARG 6.78 1.61 1 90 ALA 3.96 4.72 1 91 VAL 6.40 1.94 1 92 LEU 5.17 2.41 1 93 ASP 3.89 -0.69 1 94 ASN -4.11 1.38 1 95 ARG 5.88 1.49 1 103 LEU 3.92 0.80 1 104 ALA 3.76 -0.35 1 106 GLN 0.48 0.86 1 107 ILE 4.10 -0.60 1 108 VAL 0.90 -0.66 1 109 ASP -3.53 -2.89 1 110 VAL -1.64 -2.08 1 111 LYS -4.50 -2.05 1 112 ALA 0.80 -1.01 1 113 LEU 1.37 -0.92 1 114 SER -1.41 -0.95 1 116 THR -1.06 -0.90 1 117 GLU -3.89 -2.79 1 118 LEU -7.07 -4.06 1 119 GLN -5.25 -1.19 1 120 ILE -2.16 -2.43 1 121 THR -1.18 -1.10 1 122 LEU -5.10 0.33 1 123 LYS 2.54 -0.39 1 124 SER -3.80 -3.57 1 125 ALA 1.79 -1.12 1 126 TYR -0.39 -1.30 1 127 TYR 5.95 -1.25 1 133 LEU 2.43 0.45 1 134 ALA -0.94 0.57 1 135 LEU 1.36 -1.08 1 137 ARG -4.28 -0.46 1 139 PHE 3.55 -2.13 1 140 ARG -2.74 0.62 1 141 PHE -0.39 -0.91 1 142 ILE -5.55 -2.78 1 143 ALA 0.97 1.21 1 145 SER 4.22 1.39 1 146 GLN -0.77 0.38 1 147 PHE 1.30 -0.22 1 148 LYS -0.09 -0.04 1 153 MET 5.10 -1.65 1 154 ASN -0.80 -0.39 1 156 ILE -6.20 -0.28 1 157 LYS 4.55 -1.47 1 158 ALA -1.41 -0.26 1 160 ILE 0.61 -2.03 1 165 TRP -6.55 -1.89 1 166 ILE -4.07 -0.04 1 167 LEU 2.78 -3.07 1 168 GLN -0.45 -0.75 1 169 GLU -4.00 -3.19 1 170 SER -1.94 -1.51 1 171 LYS -1.58 -0.34 1 172 LEU 3.41 -0.47 1 173 ASN 3.99 -1.20 1 174 GLN 0.29 -1.20 1 175 TYR -1.03 -3.16 1 176 ASP -4.76 -1.55 1 177 VAL -2.44 -1.45 1 178 PHE -4.53 -0.83 1 179 VAL -6.23 -0.57 1 180 ARG 0.68 -0.95 1 181 ASN -0.11 0.90 1 182 GLU 2.66 -0.21 1 183 ASN -1.17 -0.85 1 184 TYR -0.13 -0.33 1 185 TRP 1.41 0.03 1 187 GLU 0.48 -0.44 1 188 LYS 1.21 0.21 1 190 ALA 1.66 0.78 1 191 ILE -0.16 -2.79 1 192 LYS -0.41 -0.22 1 193 LYS -3.43 -3.73 1 194 ILE -3.43 -1.77 1 195 THR 0.97 -2.06 1 196 PHE -1.26 -1.07 1 197 ASN 0.44 -0.26 1 198 VAL 3.91 -0.33 1 199 ILE -1.47 -1.12 1 203 THR 7.09 1.45 1 204 THR 7.15 1.95 1 205 ARG 6.23 0.22 1 206 ALA 3.77 2.01 1 207 VAL 5.34 2.15 1 208 ALA 4.11 1.60 1 209 PHE 5.03 2.26 1 210 GLU 3.62 2.32 1 211 THR 1.19 0.82 1 213 ASP 2.16 -0.25 1 214 ILE -4.04 -2.31 1 215 ASP -0.69 -1.36 1 216 LEU -3.33 -3.03 1 217 LEU -2.79 -4.79 1 218 TYR -4.77 -1.24 1 220 ASN -0.50 -0.57 1 221 GLU 4.59 -0.51 1 227 ASP 4.90 2.71 1 228 THR 6.48 0.09 1 229 PHE 6.55 1.25 1 230 ALA 4.47 2.81 1 231 ARG 5.23 4.05 1 232 PHE 2.82 3.24 1 233 SER 3.45 -0.40 1 234 GLN -0.18 -1.24 1 235 ASN -2.28 0.59 1 237 ALA 1.43 -1.00 1 238 TYR -5.14 -1.43 1 239 HIS -1.09 -0.32 1 240 THR -4.95 -1.25 1 241 GLN -5.03 -2.68 1 242 LEU -4.14 -0.10 1 246 ILE 1.83 0.18 1 247 GLU -2.85 -3.13 1 248 THR 0.26 -1.30 1 249 VAL 1.43 -1.48 1 250 MET -5.73 -3.54 1 251 LEU -1.53 -0.30 1 252 ALA -0.54 -2.91 1 253 LEU -0.67 -2.71 1 254 ASN 2.01 2.43 1 255 THR 1.94 -1.24 1 256 ALA -2.08 -1.44 1 257 LYS -4.47 -2.39 1 258 ALA 1.68 2.31 1 260 THR 4.30 -2.23 1 261 ASN 3.16 -0.92 1 262 GLU -1.09 -0.25 1 263 LEU 5.70 -0.07 1 264 ALA 2.22 2.29 1 265 VAL 5.51 0.65 1 266 ARG 7.55 3.50 1 267 GLU 2.55 2.35 1 268 ALA 4.64 2.36 1 269 LEU 6.07 1.09 1 270 ASN 1.99 1.14 1 271 TYR 0.61 0.53 1 272 ALA -1.14 -0.42 1 273 VAL 0.39 -1.11 1 274 ASN 2.03 0.92 1 275 LYS 4.31 0.63 1 276 LYS 5.04 1.14 1 277 SER 3.23 2.21 1 278 LEU 5.56 1.18 1 279 ILE 5.46 2.82 1 280 ASP 4.56 1.08 1 281 ASN 1.85 0.19 1 282 ALA 1.15 -0.68 1 283 LEU 0.62 -0.36 1 284 TYR 6.41 -0.98 1 286 THR 0.43 -1.91 1 288 GLN -2.90 -0.29 1 289 VAL 2.88 -2.22 1 290 ALA -2.94 -3.00 1 292 THR -4.45 -0.87 1 293 LEU 5.45 -3.87 1 294 PHE -3.63 0.87 1 295 ALA 2.83 -0.04 1 297 SER 0.58 0.42 1 298 VAL 2.33 -0.79 1 300 TYR 6.30 -0.70 1 301 ALA -1.61 0.28 1 302 ASN 2.79 0.48 1 303 LEU -2.24 0.14 1 305 LEU 3.11 -0.19 1 306 LYS 0.89 0.45 1 308 SER 1.47 -1.63 1 309 GLN -1.12 -1.79 1 310 TYR 0.82 -0.04 1 311 ASP 1.00 -2.33 1 313 GLN 5.25 2.94 1 314 LYS 4.15 1.77 1 315 ALA 3.16 1.03 1 316 LYS 5.39 1.06 1 317 ALA 4.05 3.48 1 318 LEU 3.09 2.46 1 319 LEU 5.74 1.23 1 320 GLU 4.19 4.60 1 321 LYS 4.33 1.01 1 322 ALA -0.68 -1.81 1 324 TRP -0.46 -0.98 1 325 THR -2.51 -1.36 1 326 LEU -2.57 -3.06 1 330 LYS -3.34 -1.41 1 331 ASP -0.85 -1.64 1 332 ILE -2.74 -0.41 1 333 ARG -0.08 -1.72 1 334 GLU -7.33 -1.67 1 335 LYS 0.60 0.29 1 336 ASN 2.89 0.10 1 338 GLN -2.69 -1.00 1 341 ARG -3.04 -1.13 1 342 ILE -4.71 -2.00 1 343 GLU -1.35 -1.45 1 344 LEU -2.05 -3.55 1 345 SER -1.84 -1.38 1 346 PHE -4.11 -3.74 1 347 ILE 2.86 1.67 1 349 THR 0.66 -0.81 1 350 ASP -1.08 -1.66 1 351 ALA 3.68 2.61 1 354 LYS 4.76 1.11 1 355 SER 4.37 3.18 1 356 MET 3.11 1.08 1 357 ALA 4.36 0.77 1 358 GLU 3.79 3.11 1 359 ILE 5.23 1.13 1 360 ILE 6.51 1.31 1 361 ARG 5.77 2.13 1 362 ALA 4.54 2.82 1 363 ASP 5.33 5.09 1 364 MET 6.59 1.82 1 365 ARG 4.88 4.15 1 366 GLN 3.37 1.50 1 367 ILE 0.62 -0.72 1 369 ALA -3.44 -2.78 1 370 ASP -1.95 -2.19 1 371 VAL -0.57 -1.11 1 372 SER -1.73 -1.15 1 373 LEU 1.20 -1.22 1 374 ILE 0.06 -2.99 1 376 GLU -7.74 -0.90 1 377 GLU -0.25 0.84 1 378 GLU 5.09 0.57 1 380 SER 3.40 2.42 1 381 ILE 5.56 1.88 1 382 TYR 4.53 2.71 1 383 ALA 4.44 1.52 1 384 ARG 5.59 3.75 1 385 GLN 5.34 0.37 1 386 ARG 3.11 1.51 1 387 ASP -0.48 1.44 1 389 ARG 0.57 -2.08 1 390 PHE -3.13 -2.93 1 392 MET -5.63 -1.97 1 393 ILE -5.22 -2.23 1 394 PHE 3.12 -0.65 1 395 HIS -7.90 -0.95 1 400 ALA -0.03 -0.96 1 410 SER 3.34 0.62 1 411 MET 5.83 -0.24 1 412 ARG -0.73 -0.49 1 417 ALA 3.88 0.78 1 418 ASP 2.39 0.46 1 419 PHE 5.75 3.14 1 420 GLN 4.18 3.48 1 421 ALA 4.25 1.07 1 422 GLN 1.16 -0.06 1 423 GLN 3.08 -0.01 1 425 LEU 0.72 0.48 1 426 ALA 3.70 1.05 1 427 ASP 0.06 -0.39 1 428 LYS 9.60 -1.53 1 430 LEU 4.05 0.84 1 431 ILE 6.01 1.20 1 432 ASP 5.70 3.76 1 433 LYS 4.47 3.22 1 434 GLU 5.12 1.57 1 435 ILE 4.85 0.64 1 437 GLU 2.90 4.40 1 438 VAL 6.19 0.73 1 439 LEU 3.62 -1.98 1 440 ALA -2.02 -0.50 1 441 THR 0.75 -0.10 1 445 THR 6.91 2.77 1 446 GLN 4.01 2.15 1 447 ARG 3.39 1.24 1 448 GLN 3.58 2.92 1 449 ALA 4.64 2.98 1 450 LEU 4.03 1.55 1 451 TYR 6.23 2.56 1 452 ARG 5.70 2.63 1 453 ASP 4.15 1.18 1 454 ILE 4.07 1.16 1 455 LEU 5.35 3.23 1 456 THR 7.35 0.96 1 457 ARG 6.07 2.61 1 458 LEU 3.52 1.76 1 460 ASP 4.56 2.88 1 461 GLU 0.46 -0.86 1 462 ALA 3.09 -3.28 1 463 VAL 3.45 -4.11 1 464 TYR -4.52 -1.05 1 465 LEU -2.81 -1.99 1 467 ILE 1.16 -2.85 1 468 SER -4.62 -1.54 1 474 VAL -4.56 -0.76 1 475 VAL -2.92 -2.58 1 476 SER -2.70 0.14 1 477 LYS 1.79 2.60 1 479 GLU 4.41 -0.10 1 480 LEU 2.27 -1.97 1 482 ASN 0.98 -0.19 1 483 ILE -0.27 -1.15 1 485 TYR -1.26 1.65 1 486 ALA -0.81 0.44 1 494 PHE 4.45 2.29 1 495 GLU 5.01 -0.66 1 496 GLN -0.59 -0.91 1 497 ILE 3.41 -0.90 1 498 LYS -1.54 -3.07 1 500 VAL 0.02 -0.90 1 501 LYS -1.54 -2.96 1 stop_ save_