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 bmr18339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.31 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.03 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 4.82 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 106 ILE 5.12 -0.57 0 10 TYR -4.63 -1.00 1 11 THR 2.60 0.76 1 19 TYR -3.95 -1.39 1 20 ILE -0.17 -0.97 1 21 LYS -0.24 -2.47 1 24 VAL -0.83 -1.43 1 25 LEU -5.78 -2.35 1 27 LYS -2.32 -1.75 1 28 ARG -0.95 -1.47 1 29 ASP 4.66 2.62 1 30 GLN 0.89 -0.07 1 31 GLU -2.75 -1.15 1 32 TRP -4.85 -1.33 1 33 GLU -5.51 -2.08 1 34 ALA -0.08 -1.51 1 35 LEU -0.26 0.28 1 36 ALA -4.62 -1.06 1 37 PHE -2.89 -1.87 1 38 SER -1.09 -0.20 1 39 SER -1.77 -1.55 1 40 VAL -5.72 -3.06 1 41 LYS 2.31 0.68 1 42 SER -1.12 -1.27 1 43 ARG -2.86 -0.77 1 45 LEU -2.53 -1.95 1 46 ASP -1.92 -0.04 1 49 GLU -4.80 -2.54 1 50 ILE 3.67 0.85 1 51 LYS 0.08 -0.35 1 52 ASP -1.90 -1.80 1 53 ALA 3.17 2.23 1 54 ILE 5.72 2.66 1 55 ALA 3.14 1.41 1 56 PHE 3.27 2.11 1 57 LYS 5.94 4.15 1 58 GLU 3.97 2.56 1 59 SER 4.19 4.28 1 60 VAL 6.93 4.45 1 61 ASN 4.39 3.14 1 62 THR 6.79 5.19 1 63 LEU 5.24 2.79 1 64 LEU 5.77 3.02 1 65 LYS 4.48 2.49 1 66 GLU 4.52 3.05 1 67 LEU 4.95 2.56 1 68 GLU 3.99 3.02 1 69 GLU 3.16 1.96 1 70 GLN 2.19 2.04 1 71 LEU 0.78 0.74 1 72 GLN 4.35 1.32 1 73 LYS -2.58 -1.53 1 76 ARG 0.89 -0.91 1 77 SER -3.87 -1.99 1 78 ASP 0.07 0.10 1 79 PHE -3.18 -0.61 1 80 VAL -1.88 -1.49 1 81 ILE -3.56 -2.08 1 82 SER -3.84 -3.57 1 83 PHE -4.57 -2.91 1 84 SER -2.19 -1.42 1 85 SER 4.36 4.07 1 86 VAL 3.02 -0.42 1 87 SER 1.26 0.65 1 88 PHE 0.73 -0.04 1 89 GLU -6.31 -2.11 1 90 ARG -2.10 -1.73 1 91 GLU -4.47 -1.19 1 92 ASP -2.92 -1.25 1 93 THR -0.49 0.13 1 94 VAL -2.32 -1.67 1 95 ILE -3.32 -4.10 1 96 GLU -6.15 -2.45 1 97 ARG -4.25 -1.83 1 98 ASP -3.30 -1.83 1 99 PHE -0.03 -1.61 1 101 GLU 0.71 0.27 1 102 GLU -1.67 -1.28 1 103 LYS 0.08 -0.85 1 104 ARG -3.28 -2.32 1 105 SER 0.76 -0.03 1 107 THR -4.80 -2.88 1 108 LEU 4.04 2.60 1 109 ASP 4.24 2.62 1 110 ILE 4.42 3.02 1 111 LEU 5.49 2.79 1 112 SER 4.44 3.05 1 113 GLU 3.63 2.64 1 114 MET 4.99 4.75 1 115 GLN 4.88 3.36 1 116 SER 4.55 3.67 1 117 GLU 4.02 2.67 1 118 ALA 5.19 2.81 1 119 LEU 4.83 3.11 1 120 GLU 3.40 2.08 1 121 LYS 4.38 2.45 1 122 LEU 3.70 2.26 1 123 LYS 3.42 1.94 1 124 GLU 2.26 1.63 1 125 ASN -0.15 -0.37 1 127 LYS -3.55 -2.14 1 128 THR -3.64 -2.75 1 130 LEU 1.15 -0.19 1 131 HIS -2.61 0.75 1 132 ILE 0.44 -0.37 1 133 PHE 0.68 1.00 1 134 SER 0.27 -0.76 1 135 LYS 0.49 0.95 1 136 ARG -2.90 -0.63 1 137 TYR -2.18 -1.52 1 138 LEU -3.68 -1.75 1 139 LEU -1.37 -1.93 1 140 ASP 4.04 1.78 1 141 ASP 3.14 2.41 1 142 GLU -2.05 0.77 1 143 ARG -0.70 -0.71 1 144 ILE 0.83 -0.65 1 145 VAL -3.54 -1.75 1 149 LEU 3.70 1.57 1 150 ASP 4.06 2.33 1 151 MET 0.93 0.35 1 152 LYS -2.13 -1.71 1 153 ALA -5.18 -1.10 1 154 SER 1.30 1.79 1 155 LYS -3.97 -1.23 1 156 ILE -4.72 -2.85 1 157 ALA -5.09 -2.64 1 158 ILE -2.80 -1.32 1 159 GLU -3.56 -2.68 1 160 TYR -2.52 -0.98 1 161 THR -1.94 -0.47 1 162 SER -4.86 -1.89 1 163 ILE -0.63 -3.38 1 164 VAL -6.15 -4.33 1 165 VAL -5.06 -2.84 1 167 LEU 4.27 3.11 1 168 LYS 4.45 2.76 1 169 VAL 4.43 3.17 1 170 TYR 4.90 4.49 1 171 GLU 3.54 2.95 1 172 MET 3.95 3.01 1 173 PHE 5.76 5.18 1 174 TYR 5.11 4.92 1 175 ASN 4.49 2.73 1 176 PHE 3.77 2.78 1 177 LEU 3.89 1.93 1 178 GLN 5.04 3.29 1 179 ASP 0.59 0.95 1 180 THR 2.94 2.65 1 181 VAL 2.01 0.09 1 182 LYS 3.92 0.41 1 183 SER -1.45 0.24 1 185 PHE -5.20 -2.69 1 186 GLN -4.23 -1.62 1 187 LEU -3.44 -1.58 1 195 ALA 4.16 2.62 1 196 GLU 2.20 0.85 1 198 VAL -2.22 -2.28 1 199 LEU -1.04 -0.74 1 200 THR -3.01 -2.44 1 201 THR 3.93 2.64 1 203 GLU 2.88 2.70 1 204 LYS 2.05 2.80 1 205 ASP 3.00 1.87 1 206 ARG -1.87 -1.89 1 208 VAL 2.63 -0.65 1 213 LEU 0.94 1.77 1 216 ASN -2.38 -2.43 1 217 PHE 0.10 0.56 1 218 THR -5.96 -1.78 1 223 TYR -0.35 1.18 1 224 LYS 3.53 1.84 1 225 ASN -3.26 -2.98 1 227 VAL -2.36 -1.19 1 236 VAL 2.86 0.75 1 238 MET 5.83 3.36 1 239 LYS 5.83 6.24 1 240 HIS 5.49 3.47 1 241 VAL 5.02 3.52 1 242 ILE 5.05 3.11 1 243 LYS 4.48 3.03 1 244 ASP 6.61 4.67 1 245 VAL 4.49 3.62 1 246 SER 2.58 1.57 1 247 ALA 4.23 2.95 1 248 VAL 3.34 0.08 1 249 LEU 2.99 0.42 1 250 ASP -1.10 -2.18 1 251 THR -2.82 -1.23 1 252 SER 4.57 3.50 1 256 SER 4.40 3.55 1 257 GLU 5.06 3.45 1 258 ARG 3.86 3.07 1 259 LEU 6.10 4.89 1 260 ILE 3.64 2.12 1 261 ILE 3.34 3.23 1 262 THR -2.65 0.60 1 263 HIS -5.05 -0.86 1 265 ASN 0.79 0.67 1 266 ALA -2.18 -0.99 1 267 VAL -2.39 -1.87 1 268 TYR 0.16 -1.34 1 270 ASP -0.19 -0.66 1 271 LEU -0.13 -0.90 1 272 LYS 1.13 -0.88 1 273 GLU -2.42 -1.17 1 274 GLU -0.35 0.25 1 275 GLU -3.22 -1.45 1 276 ILE -1.64 -1.14 1 277 GLN -3.49 -2.19 1 278 TYR -1.83 -1.78 1 279 ARG 3.09 2.39 1 281 LEU 0.67 -0.36 1 282 ASP -1.23 0.93 1 284 ASN 2.16 1.37 1 285 THR 0.84 -1.26 1 286 ILE -3.13 -2.32 1 287 LYS -3.75 -1.84 1 288 THR -1.41 -2.52 1 289 THR -6.15 -3.43 1 290 THR 4.12 2.65 1 291 ALA 5.10 3.86 1 292 LYS 5.13 3.30 1 293 LYS 2.91 2.33 1 294 LEU 4.92 3.69 1 295 SER 6.36 4.09 1 296 VAL 4.02 3.05 1 297 ILE 4.58 3.93 1 298 ILE 4.88 5.32 1 299 HIS 4.50 2.74 1 300 ALA 2.45 -0.32 1 301 ARG 3.43 2.37 1 302 LEU 6.30 4.00 1 303 ARG 4.39 2.76 1 304 GLU 6.24 5.32 1 305 ILE 4.51 2.63 1 306 MET 4.93 3.73 1 307 SER 4.34 3.24 1 308 LYS 4.57 3.51 1 309 SER 5.07 2.81 1 310 LYS 5.59 3.53 1 311 LYS 3.39 2.95 1 312 PHE 4.18 3.96 1 313 PHE 4.26 2.38 1 314 ARG 3.60 2.40 1 315 GLU 6.21 3.33 1 316 VAL 3.33 2.99 1 317 GLU 3.57 1.84 1 318 ALA 2.72 0.71 1 319 LYS 4.85 3.39 1 320 ILE 3.75 1.94 1 321 VAL 2.32 1.41 1 322 GLU 0.83 -0.25 1 323 GLU -2.82 -1.87 1 325 GLU 0.29 -0.19 1 326 ILE 2.11 -0.18 1 328 ILE -3.27 -2.41 1 332 VAL -1.58 -1.63 1 334 LEU -2.31 -1.50 1 335 THR 2.80 0.36 1 339 ALA 1.03 -0.03 1 340 LYS 2.20 0.86 1 341 ILE 6.57 2.79 1 343 ARG 4.12 2.78 1 344 ILE 5.74 2.69 1 345 ASN 3.96 2.53 1 346 GLU 3.59 2.06 1 347 LEU 2.62 2.44 1 348 ALA 6.39 5.13 1 349 THR 3.42 2.17 1 350 GLU 4.53 3.00 1 351 VAL 3.23 1.78 1 352 PHE 4.90 0.03 1 353 LYS -3.95 -0.95 1 354 SER -4.21 -2.12 1 356 VAL -4.13 -2.70 1 357 ARG 1.79 1.11 1 358 THR 5.29 4.25 1 361 TYR 2.29 0.99 1 362 ALA -0.52 -1.38 1 363 ASN -0.01 0.15 1 364 SER 0.75 -1.37 1 365 ASP 2.51 0.18 1 366 ARG 1.53 0.83 1 368 SER -0.55 -0.84 1 369 ILE 2.59 1.42 1 370 ILE 3.75 1.61 1 371 ASN -1.20 -1.73 1 372 ALA 4.67 3.77 1 373 ASP 3.29 2.36 1 374 GLU 2.27 0.14 1 375 VAL 3.61 1.78 1 376 ALA -0.33 -0.18 1 377 ASN -2.99 -1.55 1 378 ASP 2.48 1.82 1 380 SER 0.01 1.39 1 381 PHE 3.45 4.05 1 382 ALA 3.79 1.66 1 383 ALA 4.54 1.36 1 384 ALA 3.79 4.27 1 385 PHE 2.24 1.90 1 387 ASN 4.50 1.94 1 388 VAL 3.11 1.77 1 389 PHE 0.94 -0.09 1 390 ALA 2.66 2.03 1 391 VAL 0.46 -0.68 1 396 TYR -0.93 -0.65 1 397 GLU -0.49 -0.58 1 398 GLU 0.13 -0.39 1 399 THR 0.56 -0.31 1 401 VAL 0.68 -0.40 1 402 LYS 0.29 0.08 1 403 SER -0.28 -0.56 1 404 GLU -2.15 -2.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.31 _LACS_plot.Line_1_terminator_val_y_1 3.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.03 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 -2.11 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 106 ILE 5.12 -5.69 0 10 TYR -4.63 3.63 1 11 THR 2.60 -1.84 1 19 TYR -3.95 2.56 1 20 ILE -0.17 -0.80 1 21 LYS -0.24 -2.23 1 24 VAL -0.83 -0.60 1 25 LEU -5.78 3.43 1 27 LYS -2.32 0.57 1 28 ARG -0.95 -0.52 1 29 ASP 4.66 -2.04 1 30 GLN 0.89 -0.96 1 31 GLU -2.75 1.60 1 32 TRP -4.85 3.52 1 33 GLU -5.51 3.43 1 34 ALA -0.08 -1.43 1 35 LEU -0.26 0.54 1 36 ALA -4.62 3.56 1 37 PHE -2.89 1.02 1 38 SER -1.09 0.89 1 39 SER -1.77 0.22 1 40 VAL -5.72 2.66 1 41 LYS 2.31 -1.63 1 42 SER -1.12 -0.15 1 43 ARG -2.86 2.09 1 45 LEU -2.53 0.58 1 46 ASP -1.92 1.88 1 49 GLU -4.80 2.26 1 50 ILE 3.67 -2.82 1 51 LYS 0.08 -0.43 1 52 ASP -1.90 0.10 1 53 ALA 3.17 -0.94 1 54 ILE 5.72 -3.06 1 55 ALA 3.14 -1.73 1 56 PHE 3.27 -1.16 1 57 LYS 5.94 -1.79 1 58 GLU 3.97 -1.41 1 59 SER 4.19 0.09 1 60 VAL 6.93 -2.48 1 61 ASN 4.39 -1.25 1 62 THR 6.79 -1.60 1 63 LEU 5.24 -2.45 1 64 LEU 5.77 -2.75 1 65 LYS 4.48 -1.99 1 66 GLU 4.52 -1.47 1 67 LEU 4.95 -2.39 1 68 GLU 3.99 -0.97 1 69 GLU 3.16 -1.20 1 70 GLN 2.19 -0.15 1 71 LEU 0.78 -0.04 1 72 GLN 4.35 -3.03 1 73 LYS -2.58 1.05 1 76 ARG 0.89 -1.80 1 77 SER -3.87 1.88 1 78 ASP 0.07 0.03 1 79 PHE -3.18 2.57 1 80 VAL -1.88 0.39 1 81 ILE -3.56 1.48 1 82 SER -3.84 0.27 1 83 PHE -4.57 1.66 1 84 SER -2.19 0.77 1 85 SER 4.36 -0.29 1 86 VAL 3.02 -3.44 1 87 SER 1.26 -0.61 1 88 PHE 0.73 -0.77 1 89 GLU -6.31 4.20 1 90 ARG -2.10 0.37 1 91 GLU -4.47 3.28 1 92 ASP -2.92 1.67 1 93 THR -0.49 0.62 1 94 VAL -2.32 0.65 1 95 ILE -3.32 -0.78 1 96 GLU -6.15 3.70 1 97 ARG -4.25 2.42 1 98 ASP -3.30 1.47 1 99 PHE -0.03 -1.58 1 101 GLU 0.71 -0.44 1 102 GLU -1.67 0.39 1 103 LYS 0.08 -0.93 1 104 ARG -3.28 0.96 1 105 SER 0.76 -0.79 1 107 THR -4.80 1.92 1 108 LEU 4.04 -1.44 1 109 ASP 4.24 -1.62 1 110 ILE 4.42 -1.40 1 111 LEU 5.49 -2.70 1 112 SER 4.44 -1.39 1 113 GLU 3.63 -0.99 1 114 MET 4.99 -0.24 1 115 GLN 4.88 -1.52 1 116 SER 4.55 -0.88 1 117 GLU 4.02 -1.35 1 118 ALA 5.19 -2.38 1 119 LEU 4.83 -1.72 1 120 GLU 3.40 -1.32 1 121 LYS 4.38 -1.93 1 122 LEU 3.70 -1.44 1 123 LYS 3.42 -1.48 1 124 GLU 2.26 -0.63 1 125 ASN -0.15 -0.22 1 127 LYS -3.55 1.41 1 128 THR -3.64 0.89 1 130 LEU 1.15 -1.34 1 131 HIS -2.61 3.36 1 132 ILE 0.44 -0.81 1 133 PHE 0.68 0.32 1 134 SER 0.27 -1.03 1 135 LYS 0.49 0.46 1 136 ARG -2.90 2.27 1 137 TYR -2.18 0.66 1 138 LEU -3.68 1.93 1 139 LEU -1.37 -0.56 1 140 ASP 4.04 -2.26 1 141 ASP 3.14 -0.73 1 142 GLU -2.05 2.82 1 143 ARG -0.70 -0.01 1 144 ILE 0.83 -1.48 1 145 VAL -3.54 1.79 1 149 LEU 3.70 -2.13 1 150 ASP 4.06 -1.73 1 151 MET 0.93 -0.58 1 152 LYS -2.13 0.42 1 153 ALA -5.18 4.08 1 154 SER 1.30 0.49 1 155 LYS -3.97 2.74 1 156 ILE -4.72 1.87 1 157 ALA -5.09 2.45 1 158 ILE -2.80 1.48 1 159 GLU -3.56 0.88 1 160 TYR -2.52 1.54 1 161 THR -1.94 1.47 1 162 SER -4.86 2.97 1 163 ILE -0.63 -2.75 1 164 VAL -6.15 1.82 1 165 VAL -5.06 2.22 1 167 LEU 4.27 -1.16 1 168 LYS 4.45 -1.69 1 169 VAL 4.43 -1.26 1 170 TYR 4.90 -0.41 1 171 GLU 3.54 -0.59 1 172 MET 3.95 -0.94 1 173 PHE 5.76 -0.58 1 174 TYR 5.11 -0.19 1 175 ASN 4.49 -1.76 1 176 PHE 3.77 -0.99 1 177 LEU 3.89 -1.96 1 178 GLN 5.04 -1.75 1 179 ASP 0.59 0.36 1 180 THR 2.94 -0.29 1 181 VAL 2.01 -1.92 1 182 LYS 3.92 -3.51 1 183 SER -1.45 1.69 1 185 PHE -5.20 2.51 1 186 GLN -4.23 2.61 1 187 LEU -3.44 1.86 1 195 ALA 4.16 -1.54 1 196 GLU 2.20 -1.35 1 198 VAL -2.22 -0.06 1 199 LEU -1.04 0.30 1 200 THR -3.01 0.57 1 201 THR 3.93 -1.29 1 203 GLU 2.88 -0.18 1 204 LYS 2.05 0.75 1 205 ASP 3.00 -1.13 1 206 ARG -1.87 -0.02 1 208 VAL 2.63 -3.28 1 213 LEU 0.94 0.83 1 216 ASN -2.38 -0.05 1 217 PHE 0.10 0.46 1 218 THR -5.96 4.18 1 223 TYR -0.35 1.53 1 224 LYS 3.53 -1.69 1 225 ASN -3.26 0.28 1 227 VAL -2.36 1.17 1 236 VAL 2.86 -2.11 1 238 MET 5.83 -2.47 1 239 LYS 5.83 0.41 1 240 HIS 5.49 -2.02 1 241 VAL 5.02 -1.50 1 242 ILE 5.05 -1.94 1 243 LYS 4.48 -1.45 1 244 ASP 6.61 -1.94 1 245 VAL 4.49 -0.87 1 246 SER 2.58 -1.01 1 247 ALA 4.23 -1.28 1 248 VAL 3.34 -3.26 1 249 LEU 2.99 -2.57 1 250 ASP -1.10 -1.08 1 251 THR -2.82 1.59 1 252 SER 4.57 -1.07 1 256 SER 4.40 -0.85 1 257 GLU 5.06 -1.61 1 258 ARG 3.86 -0.79 1 259 LEU 6.10 -1.21 1 260 ILE 3.64 -1.52 1 261 ILE 3.34 -0.11 1 262 THR -2.65 3.25 1 263 HIS -5.05 4.19 1 265 ASN 0.79 -0.12 1 266 ALA -2.18 1.19 1 267 VAL -2.39 0.52 1 268 TYR 0.16 -1.50 1 270 ASP -0.19 -0.47 1 271 LEU -0.13 -0.77 1 272 LYS 1.13 -2.01 1 273 GLU -2.42 1.25 1 274 GLU -0.35 0.60 1 275 GLU -3.22 1.77 1 276 ILE -1.64 0.50 1 277 GLN -3.49 1.30 1 278 TYR -1.83 0.05 1 279 ARG 3.09 -0.70 1 281 LEU 0.67 -1.03 1 282 ASP -1.23 2.16 1 284 ASN 2.16 -0.79 1 285 THR 0.84 -2.10 1 286 ILE -3.13 0.81 1 287 LYS -3.75 1.91 1 288 THR -1.41 -1.11 1 289 THR -6.15 2.72 1 290 THR 4.12 -1.47 1 291 ALA 5.10 -1.24 1 292 LYS 5.13 -1.83 1 293 LYS 2.91 -0.58 1 294 LEU 4.92 -1.23 1 295 SER 6.36 -2.27 1 296 VAL 4.02 -0.97 1 297 ILE 4.58 -0.65 1 298 ILE 4.88 0.44 1 299 HIS 4.50 -1.76 1 300 ALA 2.45 -2.77 1 301 ARG 3.43 -1.06 1 302 LEU 6.30 -2.30 1 303 ARG 4.39 -1.63 1 304 GLU 6.24 -0.92 1 305 ILE 4.51 -1.88 1 306 MET 4.93 -1.20 1 307 SER 4.34 -1.10 1 308 LYS 4.57 -1.06 1 309 SER 5.07 -2.26 1 310 LYS 5.59 -2.06 1 311 LYS 3.39 -0.44 1 312 PHE 4.18 -0.22 1 313 PHE 4.26 -1.88 1 314 ARG 3.60 -1.20 1 315 GLU 6.21 -2.88 1 316 VAL 3.33 -0.34 1 317 GLU 3.57 -1.73 1 318 ALA 2.72 -2.01 1 319 LYS 4.85 -1.46 1 320 ILE 3.75 -1.81 1 321 VAL 2.32 -0.91 1 322 GLU 0.83 -1.08 1 323 GLU -2.82 0.95 1 325 GLU 0.29 -0.48 1 326 ILE 2.11 -2.29 1 328 ILE -3.27 0.86 1 332 VAL -1.58 -0.05 1 334 LEU -2.31 0.81 1 335 THR 2.80 -2.44 1 339 ALA 1.03 -1.06 1 340 LYS 2.20 -1.34 1 341 ILE 6.57 -3.78 1 343 ARG 4.12 -1.34 1 344 ILE 5.74 -3.05 1 345 ASN 3.96 -1.43 1 346 GLU 3.59 -1.53 1 347 LEU 2.62 -0.18 1 348 ALA 6.39 -1.26 1 349 THR 3.42 -1.25 1 350 GLU 4.53 -1.53 1 351 VAL 3.23 -1.45 1 352 PHE 4.90 -4.87 1 353 LYS -3.95 3.00 1 354 SER -4.21 2.09 1 356 VAL -4.13 1.43 1 357 ARG 1.79 -0.68 1 358 THR 5.29 -1.04 1 361 TYR 2.29 -1.30 1 362 ALA -0.52 -0.86 1 363 ASN -0.01 0.16 1 364 SER 0.75 -2.12 1 365 ASP 2.51 -2.33 1 366 ARG 1.53 -0.70 1 368 SER -0.55 -0.29 1 369 ILE 2.59 -1.17 1 370 ILE 3.75 -2.14 1 371 ASN -1.20 -0.53 1 372 ALA 4.67 -0.90 1 373 ASP 3.29 -0.93 1 374 GLU 2.27 -2.13 1 375 VAL 3.61 -1.83 1 376 ALA -0.33 0.15 1 377 ASN -2.99 1.44 1 378 ASP 2.48 -0.66 1 380 SER 0.01 1.38 1 381 PHE 3.45 0.60 1 382 ALA 3.79 -2.13 1 383 ALA 4.54 -3.18 1 384 ALA 3.79 0.48 1 385 PHE 2.24 -0.34 1 387 ASN 4.50 -2.56 1 388 VAL 3.11 -1.34 1 389 PHE 0.94 -1.03 1 390 ALA 2.66 -0.63 1 391 VAL 0.46 -1.14 1 396 TYR -0.93 0.28 1 397 GLU -0.49 -0.09 1 398 GLU 0.13 -0.52 1 399 THR 0.56 -0.87 1 401 VAL 0.68 -1.08 1 402 LYS 0.29 -0.21 1 403 SER -0.28 -0.28 1 404 GLU -2.15 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.31 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 2.29 _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 133 PHE 0.68 4.26 0 208 VAL -1.87 -5.09 0 10 TYR -4.63 -0.97 1 11 THR 2.60 -2.20 1 19 TYR -3.95 -0.69 1 20 ILE -0.17 -1.60 1 21 LYS -0.24 -0.88 1 24 VAL -0.83 -0.63 1 25 LEU -5.78 -1.91 1 27 LYS -2.32 -1.39 1 28 ARG -0.95 -0.84 1 29 ASP 4.66 -1.23 1 30 GLN 0.89 -0.88 1 31 GLU -2.75 -1.83 1 32 TRP -4.85 -0.17 1 33 GLU -5.51 -1.92 1 34 ALA -0.08 -1.55 1 35 LEU -0.26 -1.33 1 36 ALA -4.62 -2.36 1 37 PHE -2.89 -1.13 1 38 SER -1.09 -1.98 1 39 SER -1.77 -0.76 1 40 VAL -5.72 -1.23 1 41 LYS 2.31 -0.41 1 42 SER -1.12 -0.84 1 43 ARG -2.86 -1.09 1 45 LEU -2.53 -1.10 1 46 ASP -1.92 -0.65 1 49 GLU -4.80 -1.74 1 50 ILE 3.67 -1.57 1 51 LYS 0.08 0.02 1 52 ASP -1.90 -0.94 1 53 ALA 3.17 1.66 1 54 ILE 5.72 2.11 1 55 ALA 3.14 2.44 1 56 PHE 3.27 2.34 1 57 LYS 5.94 1.83 1 58 GLU 3.97 3.43 1 59 SER 4.19 0.71 1 60 VAL 6.93 1.24 1 61 ASN 4.39 2.35 1 62 THR 6.79 0.85 1 63 LEU 5.24 0.50 1 64 LEU 5.77 1.92 1 65 LYS 4.48 2.39 1 66 GLU 4.52 3.98 1 67 LEU 4.95 1.09 1 68 GLU 3.99 3.25 1 69 GLU 3.16 2.43 1 70 GLN 2.19 1.91 1 71 LEU 0.78 -0.06 1 72 GLN 4.35 -1.16 1 73 LYS -2.58 -2.22 1 76 ARG 0.89 -1.55 1 77 SER -3.87 -1.56 1 78 ASP 0.07 0.33 1 79 PHE -3.18 0.81 1 80 VAL -1.88 -3.25 1 81 ILE -3.56 -2.46 1 82 SER -3.84 -0.16 1 83 PHE -4.57 -1.76 1 84 SER -2.19 -0.71 1 86 VAL 3.02 0.68 1 87 SER 1.26 -0.50 1 88 PHE 0.73 0.07 1 89 GLU -6.31 -2.30 1 90 ARG -2.10 -0.81 1 91 GLU -4.47 -1.93 1 92 ASP -2.92 -0.12 1 93 THR -0.49 -2.73 1 94 VAL -2.32 -1.62 1 95 ILE -3.32 -2.43 1 96 GLU -6.15 -0.25 1 97 ARG -4.25 -3.34 1 98 ASP -3.30 -0.21 1 99 PHE -0.03 1.32 1 101 GLU 0.71 0.15 1 102 GLU -1.67 -1.42 1 103 LYS 0.08 -0.59 1 104 ARG -3.28 -0.81 1 105 SER 0.76 -0.17 1 106 ILE 5.12 -0.91 1 107 THR -4.80 0.86 1 108 LEU 4.04 1.31 1 109 ASP 4.24 2.30 1 110 ILE 4.42 1.44 1 111 LEU 5.49 2.99 1 112 SER 4.44 2.59 1 113 GLU 3.63 3.28 1 114 MET 4.99 0.86 1 115 GLN 4.88 2.31 1 116 SER 4.55 3.72 1 117 GLU 4.02 2.21 1 118 ALA 5.19 1.09 1 119 LEU 4.83 1.53 1 120 GLU 3.40 2.92 1 121 LYS 4.38 3.26 1 122 LEU 3.70 0.93 1 123 LYS 3.42 3.60 1 124 GLU 2.26 0.64 1 125 ASN -0.15 0.40 1 127 LYS -3.55 -2.37 1 128 THR -3.64 -1.52 1 130 LEU 1.15 -0.44 1 131 HIS -2.61 1.73 1 132 ILE 0.44 -1.55 1 134 SER 0.27 -1.26 1 135 LYS 0.49 -0.74 1 136 ARG -2.90 -3.41 1 137 TYR -2.18 -2.32 1 138 LEU -3.68 -1.10 1 139 LEU -1.37 -1.02 1 140 ASP 4.04 -1.63 1 141 ASP 3.14 -0.39 1 142 GLU -2.05 -1.51 1 143 ARG -0.70 -1.53 1 144 ILE 0.83 0.45 1 145 VAL -3.54 0.05 1 149 LEU 3.70 0.25 1 150 ASP 4.06 -0.06 1 151 MET 0.93 -1.52 1 152 LYS -2.13 -0.21 1 153 ALA -5.18 -1.84 1 154 SER 1.30 2.31 1 155 LYS -3.97 -2.32 1 156 ILE -4.72 -4.76 1 157 ALA -5.09 -2.15 1 158 ILE -2.80 -2.28 1 159 GLU -3.56 -1.70 1 160 TYR -2.52 0.70 1 161 THR -1.94 -1.77 1 162 SER -4.86 -1.10 1 163 ILE -0.63 -0.42 1 164 VAL -6.15 -2.21 1 165 VAL -5.06 -2.59 1 167 LEU 4.27 0.68 1 168 LYS 4.45 2.76 1 169 VAL 4.43 0.83 1 170 TYR 4.90 0.98 1 171 GLU 3.54 1.38 1 172 MET 3.95 1.97 1 173 PHE 5.76 1.48 1 174 TYR 5.11 1.63 1 175 ASN 4.49 3.10 1 176 PHE 3.77 2.59 1 177 LEU 3.89 1.37 1 178 GLN 5.04 1.03 1 179 ASP 0.59 -0.23 1 180 THR 2.94 -0.45 1 181 VAL 2.01 -0.46 1 182 LYS 3.92 -0.67 1 183 SER -1.45 -2.26 1 185 PHE -5.20 -2.12 1 186 GLN -4.23 -1.32 1 187 LEU -3.44 -1.53 1 195 ALA 4.16 1.43 1 196 GLU 2.20 2.50 1 198 VAL -2.22 0.39 1 199 LEU -1.04 -0.37 1 200 THR -3.01 0.89 1 203 GLU 3.93 0.58 1 204 LYS 2.88 2.09 1 205 ASP 2.05 2.74 1 206 ARG 3.00 -0.10 1 213 LEU 2.63 -1.36 1 216 ASN 0.94 -1.08 1 217 PHE -2.38 -2.65 1 218 THR 0.10 0.08 1 223 TYR -5.96 -1.49 1 224 LYS -0.35 -0.75 1 225 ASN 3.53 -0.43 1 227 VAL -3.26 -3.36 1 236 VAL -2.36 -1.99 1 238 MET 2.86 2.83 1 239 LYS 5.83 0.54 1 240 HIS 5.83 3.10 1 241 VAL 5.49 0.80 1 242 ILE 5.02 2.53 1 243 LYS 5.05 2.36 1 244 ASP 4.48 2.11 1 245 VAL 6.61 1.02 1 246 SER 4.49 1.91 1 247 ALA 2.58 2.44 1 248 VAL 4.23 1.84 1 249 LEU 3.34 0.46 1 250 ASP 2.99 -2.78 1 251 THR -1.10 -0.87 1 252 SER -2.82 1.24 1 256 SER 4.57 1.14 1 257 GLU 4.40 0.74 1 258 ARG 5.06 3.69 1 259 LEU 3.86 1.64 1 260 ILE 6.10 1.25 1 261 ILE 3.64 0.97 1 262 THR 3.34 0.67 1 263 HIS -2.65 1.56 1 265 ASN -5.05 -0.89 1 266 ALA 0.79 -2.81 1 267 VAL -2.18 -2.12 1 268 TYR -2.39 1.59 1 270 ASP 0.16 -0.10 1 271 LEU -0.19 -0.27 1 272 LYS -0.13 0.50 1 273 GLU 1.13 -0.87 1 274 GLU -2.42 -1.01 1 275 GLU -0.35 -0.53 1 276 ILE -3.22 -1.47 1 277 GLN -1.64 -0.45 1 278 TYR -3.49 -3.81 1 279 ARG -1.83 1.41 1 281 LEU 3.09 -0.05 1 282 ASP 0.67 0.86 1 284 ASN -1.23 -0.26 1 285 THR 2.16 -1.06 1 286 ILE 0.84 -0.94 1 287 LYS -3.13 -2.31 1 288 THR -3.75 0.46 1 289 THR -1.41 -0.83 1 290 THR -6.15 0.38 1 291 ALA 4.12 2.19 1 292 LYS 5.10 0.40 1 293 LYS 5.13 2.43 1 294 LEU 2.91 0.37 1 295 SER 4.92 1.47 1 296 VAL 6.36 2.04 1 297 ILE 4.02 2.69 1 298 ILE 4.58 0.74 1 299 HIS 4.88 2.39 1 300 ALA 4.50 2.90 1 301 ARG 2.45 2.37 1 302 LEU 3.43 1.74 1 303 ARG 6.30 2.28 1 304 GLU 4.39 1.76 1 305 ILE 6.24 3.06 1 306 MET 4.51 1.30 1 307 SER 4.93 3.03 1 308 LYS 4.34 3.08 1 309 SER 4.57 4.38 1 310 LYS 5.07 1.02 1 311 LYS 5.59 1.71 1 312 PHE 3.39 0.70 1 313 PHE 4.18 0.88 1 314 ARG 4.26 2.91 1 315 GLU 3.60 2.96 1 316 VAL 6.21 1.00 1 317 GLU 3.33 0.90 1 318 ALA 3.57 2.08 1 319 LYS 2.72 1.46 1 320 ILE 4.85 1.69 1 321 VAL 3.75 3.28 1 322 GLU 2.32 1.16 1 323 GLU 0.83 0.37 1 325 GLU -2.82 -1.15 1 326 ILE 0.29 -0.26 1 328 ILE 2.11 0.92 1 332 VAL -3.27 -1.25 1 334 LEU -1.58 -1.20 1 335 THR -2.31 -0.41 1 339 ALA 2.80 -0.56 1 340 LYS 1.03 -0.14 1 341 ILE 2.20 -0.19 1 343 ARG 6.57 0.53 1 344 ILE 4.12 -0.03 1 345 ASN 5.74 3.12 1 346 GLU 3.96 2.63 1 347 LEU 3.59 0.31 1 348 ALA 2.62 1.19 1 349 THR 6.39 1.92 1 350 GLU 3.42 1.05 1 351 VAL 4.53 1.29 1 352 PHE 3.23 0.12 1 353 LYS 4.90 -1.91 1 354 SER -3.95 -2.18 1 356 VAL -4.21 -1.34 1 357 ARG -4.13 -2.39 1 358 THR 1.79 0.46 1 361 TYR 5.29 2.80 1 362 ALA 2.29 -0.80 1 363 ASN -0.52 -0.56 1 364 SER -0.01 -2.15 1 365 ASP 0.75 -0.02 1 366 ARG 2.51 -0.82 1 368 SER 1.53 -0.71 1 369 ILE -0.55 -0.01 1 370 ILE 2.59 0.30 1 371 ASN 3.75 -0.03 1 372 ALA -1.20 -0.78 1 373 ASP 4.67 1.13 1 374 GLU 3.29 1.95 1 375 VAL 2.27 1.95 1 376 ALA 3.61 0.03 1 377 ASN -0.33 -1.76 1 378 ASP -2.99 2.03 1 380 SER 2.48 0.82 1 381 PHE 0.01 -0.28 1 382 ALA 3.45 0.97 1 383 ALA 3.79 0.64 1 384 ALA 4.54 3.55 1 385 PHE 3.79 1.93 1 387 ASN 2.24 1.95 1 388 VAL 4.50 -0.02 1 389 PHE 3.11 0.24 1 390 ALA 0.94 0.22 1 391 VAL 2.66 1.32 1 396 TYR 0.46 -0.39 1 397 GLU -0.93 -0.72 1 398 GLU -0.49 -0.39 1 399 THR 0.13 -0.18 1 401 VAL 0.56 -0.20 1 402 LYS 0.68 -0.27 1 403 SER 0.29 -0.11 1 404 GLU -0.28 -0.89 1 405 ASN -2.15 -1.43 1 stop_ save_