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 bmr17208_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.49 _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 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 7.51 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ALA -7.67 -1.72 0 41 ALA -8.49 -2.42 0 334 ILE 0.46 -2.56 0 16 VAL -6.57 -3.80 1 17 ALA -7.31 -2.77 1 18 ILE -6.64 -2.18 1 19 MET 1.99 -1.26 1 20 ASP -1.61 -1.94 1 22 THR 0.68 0.13 1 23 THR -2.09 -0.43 1 25 ARG -3.72 -0.71 1 26 VAL 1.00 0.58 1 27 LEU -1.38 -1.22 1 28 GLU -1.56 -0.85 1 29 ASN -1.41 -1.65 1 30 ALA 3.27 2.42 1 31 GLU 2.74 1.76 1 33 ASP -2.91 -0.55 1 34 ARG 1.80 2.06 1 35 THR -4.26 -1.70 1 36 THR -2.85 0.30 1 38 SER -1.25 -3.04 1 39 ILE -3.18 -0.32 1 40 ILE -4.79 -0.37 1 42 TYR -1.16 -0.95 1 43 THR -2.03 -0.54 1 44 GLN 2.61 2.83 1 45 ASP 0.62 0.03 1 47 GLU -1.98 -0.71 1 48 THR -0.13 -0.17 1 49 LEU -4.76 -2.35 1 50 VAL -4.22 -1.48 1 52 GLN 9.86 6.85 1 54 ALA 0.66 0.96 1 55 LYS 3.91 4.52 1 56 ARG 2.84 2.30 1 57 GLN -1.98 -1.91 1 58 ALA 3.00 3.05 1 60 THR 1.19 0.55 1 61 ASN 0.19 -0.05 1 63 GLN 3.76 3.23 1 64 ASN -2.46 -0.85 1 65 THR 2.61 1.67 1 66 LEU -1.03 -1.16 1 67 PHE -3.58 -2.79 1 68 ALA 3.39 1.54 1 72 LEU -2.03 -0.13 1 73 ILE 1.44 2.27 1 75 ARG -1.44 0.02 1 76 ARG -0.61 -1.08 1 77 PHE 4.33 3.99 1 78 GLN 1.32 0.19 1 79 ASP -0.44 0.82 1 80 GLU 4.12 3.89 1 81 GLU 3.17 2.84 1 82 VAL 4.89 3.79 1 83 GLN 3.36 2.47 1 84 ARG 4.31 3.17 1 85 ASP 4.25 2.75 1 86 VAL 4.85 4.19 1 88 ILE -0.81 0.87 1 89 MET 1.63 -0.25 1 91 PHE -5.18 -4.33 1 92 LYS 0.92 1.18 1 93 ILE -0.34 0.34 1 94 ILE -6.21 -1.83 1 95 ALA -0.69 -1.64 1 96 ALA 0.33 -1.52 1 97 ASP 4.66 3.16 1 98 ASN 0.34 -0.75 1 100 ASP 2.58 1.74 1 101 ALA -0.16 0.28 1 102 TRP -6.32 -2.17 1 103 VAL -4.91 -2.07 1 104 GLU -4.83 -1.61 1 105 VAL -3.62 -0.80 1 106 LYS 4.18 1.08 1 108 GLN -2.19 -1.47 1 109 LYS 0.44 0.30 1 110 MET -4.24 -0.52 1 111 ALA -2.77 -1.72 1 114 GLN 3.27 3.27 1 115 ILE 3.26 2.22 1 117 ALA 2.15 2.94 1 118 GLU 3.71 2.22 1 119 VAL 4.62 3.94 1 120 LEU 3.83 3.20 1 121 LYS 4.86 4.70 1 122 LYS 3.82 2.67 1 124 LYS 2.27 3.83 1 125 LYS 3.30 2.56 1 126 THR 5.45 5.21 1 127 ALA 3.03 2.88 1 128 GLU 3.88 3.30 1 129 ASP 4.29 2.85 1 130 TYR 2.80 3.26 1 131 LEU -0.84 1.12 1 133 GLU -2.93 -0.86 1 135 VAL -1.68 -0.04 1 136 THR -1.47 -0.51 1 137 GLU -6.23 -0.66 1 139 VAL -1.46 0.03 1 140 ILE -4.02 -1.44 1 141 THR -1.93 -2.28 1 142 VAL -3.21 -2.01 1 144 ALA 3.28 1.92 1 145 TYR -0.66 -2.20 1 146 PHE 1.83 -0.96 1 147 ASN -1.92 -1.83 1 148 ASP 4.89 4.35 1 149 ALA 4.27 3.12 1 150 GLN 3.63 3.95 1 151 ARG 6.50 5.36 1 152 GLN 4.67 3.09 1 153 ALA 2.02 2.47 1 155 LYS 6.20 4.96 1 156 ASP 4.54 3.40 1 157 ALA 3.38 2.58 1 159 ARG 5.07 3.63 1 160 ILE 4.30 4.31 1 161 ALA -0.97 -0.02 1 163 LEU -4.13 -2.47 1 164 GLU -0.81 -1.00 1 165 VAL 2.14 0.14 1 166 LYS 1.40 0.66 1 167 ARG -4.68 -0.67 1 168 ILE -1.56 -2.23 1 169 ILE -5.94 -3.06 1 171 GLU 7.83 4.85 1 173 THR 4.75 4.86 1 174 ALA 3.52 3.02 1 176 ALA 5.06 3.51 1 177 LEU 3.13 2.63 1 181 LEU 2.59 1.23 1 183 LYS 0.44 -0.28 1 185 THR -1.32 -0.36 1 187 ASN -0.10 0.26 1 188 ARG -4.47 -0.66 1 189 THR 0.91 0.56 1 190 ILE -5.57 -2.49 1 191 ALA -5.32 -2.55 1 192 VAL 0.94 -0.11 1 193 TYR 0.06 0.53 1 201 ASP -5.21 -0.42 1 202 ILE -7.23 -5.40 1 203 SER -2.99 -1.28 1 205 ILE -5.72 -2.34 1 206 GLU -4.58 -1.97 1 207 ILE -0.70 -0.58 1 208 ASP -4.26 -1.95 1 209 GLU -3.11 -0.90 1 210 VAL -1.66 -0.16 1 211 ASP 2.74 1.45 1 213 GLU -4.05 -1.93 1 214 LYS -0.54 -1.13 1 215 THR -2.76 -1.57 1 216 PHE -2.30 -1.25 1 217 GLU -3.63 -1.51 1 218 VAL 2.45 0.85 1 219 LEU 0.79 1.10 1 220 ALA -4.15 0.50 1 221 THR -3.34 -1.48 1 222 ASN -3.03 -0.02 1 224 ASP -3.16 -0.15 1 225 THR 1.72 1.48 1 226 HIS 0.53 -0.26 1 227 LEU -2.07 -0.45 1 230 GLU 3.87 3.40 1 231 ASP 1.59 1.85 1 234 SER 4.81 3.75 1 235 ARG 1.77 0.97 1 236 LEU 3.12 2.67 1 237 ILE 5.91 5.89 1 238 ASN 4.64 3.95 1 239 TYR 3.35 3.46 1 240 LEU 3.72 3.15 1 241 VAL 5.25 4.75 1 242 GLU 3.84 3.06 1 243 GLU 2.96 2.53 1 245 LYS 3.84 3.50 1 246 LYS 4.04 3.30 1 247 ASP 0.74 2.65 1 248 GLN -0.83 -0.31 1 250 ILE -5.17 -1.19 1 251 ASP -2.10 -1.95 1 252 LEU 1.65 1.56 1 253 ARG 3.86 2.77 1 254 ASN 0.36 0.31 1 255 ASP -2.92 -1.57 1 257 LEU 3.87 2.70 1 258 ALA 2.76 2.41 1 259 MET 4.57 0.84 1 261 ARG 3.16 3.45 1 262 LEU 2.47 2.88 1 264 GLU 2.26 2.48 1 265 ALA 1.64 2.21 1 266 ALA 2.78 2.64 1 267 GLU 4.42 3.29 1 268 LYS 4.22 3.52 1 269 ALA 3.94 2.19 1 271 ILE 6.05 5.05 1 275 SER 0.09 0.74 1 276 ALA -4.20 -1.40 1 277 GLN 1.38 1.10 1 278 GLN -1.97 -0.50 1 279 THR -1.12 -1.26 1 280 ASP -2.39 -0.53 1 281 VAL 2.51 0.75 1 282 ASN -2.67 -1.26 1 283 LEU -4.96 -2.10 1 285 TYR 5.31 1.17 1 286 ILE -0.65 -1.03 1 287 THR 1.04 -1.25 1 288 ALA -3.22 -0.12 1 289 ASP -2.40 -1.35 1 290 ALA 3.05 2.82 1 291 THR 0.91 0.87 1 294 LYS -5.55 -3.34 1 295 HIS -5.40 -0.65 1 296 MET -3.32 -0.61 1 297 ASN 0.10 0.95 1 298 ILE -4.48 -0.36 1 299 LYS 0.16 -0.13 1 300 VAL -2.09 -0.65 1 301 THR -2.88 -1.87 1 302 ARG 5.30 4.16 1 303 ALA 3.93 2.78 1 304 LYS 4.06 1.02 1 305 LEU 4.56 3.83 1 306 GLU 4.87 3.83 1 307 SER 3.79 2.95 1 309 VAL -1.57 -1.73 1 310 GLU 4.90 4.37 1 311 ASP 4.24 2.55 1 312 LEU 3.02 2.32 1 313 VAL 6.13 4.77 1 314 ASN 4.89 3.05 1 315 ARG 3.61 3.12 1 316 SER 3.08 1.87 1 317 ILE 2.56 -0.26 1 318 GLU 7.86 4.59 1 321 LYS 4.38 3.87 1 322 VAL 4.87 4.28 1 323 ALA 4.35 2.59 1 324 LEU 5.29 3.73 1 325 GLN 4.51 3.66 1 327 ALA -0.37 -0.02 1 329 LEU -5.29 -1.46 1 330 SER -3.81 -1.65 1 331 VAL 5.86 4.70 1 332 SER 2.70 1.85 1 333 ASP -0.96 1.45 1 335 ASP 2.01 3.46 1 336 ASP -5.92 -0.60 1 337 VAL -3.14 -2.27 1 340 VAL -3.89 -0.90 1 343 GLN -0.58 -0.11 1 344 THR 2.64 2.20 1 345 ARG 1.80 1.56 1 346 MET 0.57 1.29 1 348 MET 4.12 4.59 1 349 VAL 5.76 4.60 1 350 GLN 6.84 4.46 1 351 LYS 3.10 2.76 1 352 LYS 4.26 2.42 1 354 ALA 2.51 2.37 1 355 GLU 2.24 2.43 1 357 PHE 3.37 3.19 1 359 LYS -1.76 0.29 1 362 ARG 0.56 0.42 1 363 LYS -0.24 -0.96 1 364 ASP 2.22 1.44 1 365 VAL -2.35 -1.55 1 366 ASN 0.60 -1.55 1 372 ALA 4.14 2.99 1 373 ILE 5.91 4.94 1 375 ALA 4.43 2.88 1 376 ALA 4.33 2.58 1 378 GLN 3.88 2.44 1 382 LEU 1.46 0.82 1 383 THR 0.87 1.13 1 385 ASP 0.04 0.35 1 386 VAL -0.12 0.38 1 387 LYS -0.32 -0.07 1 388 ASP 0.60 1.75 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17208_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.49 _LACS_plot.Line_1_terminator_val_y_1 5.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 -2.34 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ALA -7.67 5.95 0 41 ALA -8.49 6.07 0 334 ILE 0.46 -3.02 0 16 VAL -6.57 2.77 1 17 ALA -7.31 4.54 1 18 ILE -6.64 4.46 1 19 MET 1.99 -3.25 1 20 ASP -1.61 -0.33 1 22 THR 0.68 -0.55 1 23 THR -2.09 1.66 1 25 ARG -3.72 3.01 1 26 VAL 1.00 -0.42 1 27 LEU -1.38 0.16 1 28 GLU -1.56 0.71 1 29 ASN -1.41 -0.24 1 30 ALA 3.27 -0.85 1 31 GLU 2.74 -0.98 1 33 ASP -2.91 2.36 1 34 ARG 1.80 0.26 1 35 THR -4.26 2.56 1 36 THR -2.85 3.15 1 38 SER -1.25 -1.79 1 39 ILE -3.18 2.86 1 40 ILE -4.79 4.42 1 42 TYR -1.16 0.21 1 43 THR -2.03 1.49 1 44 GLN 2.61 0.22 1 45 ASP 0.62 -0.59 1 47 GLU -1.98 1.27 1 48 THR -0.13 -0.04 1 49 LEU -4.76 2.41 1 50 VAL -4.22 2.74 1 52 GLN 9.86 -3.01 1 54 ALA 0.66 0.30 1 55 LYS 3.91 0.61 1 56 ARG 2.84 -0.54 1 57 GLN -1.98 0.07 1 58 ALA 3.00 0.05 1 60 THR 1.19 -0.64 1 61 ASN 0.19 -0.24 1 63 GLN 3.76 -0.53 1 64 ASN -2.46 1.61 1 65 THR 2.61 -0.94 1 66 LEU -1.03 -0.13 1 67 PHE -3.58 0.79 1 68 ALA 3.39 -1.85 1 72 LEU -2.03 1.90 1 73 ILE 1.44 0.83 1 75 ARG -1.44 1.46 1 76 ARG -0.61 -0.47 1 77 PHE 4.33 -0.34 1 78 GLN 1.32 -1.13 1 79 ASP -0.44 1.26 1 80 GLU 4.12 -0.23 1 81 GLU 3.17 -0.33 1 82 VAL 4.89 -1.10 1 83 GLN 3.36 -0.89 1 84 ARG 4.31 -1.14 1 85 ASP 4.25 -1.50 1 86 VAL 4.85 -0.66 1 88 ILE -0.81 1.68 1 89 MET 1.63 -1.88 1 91 PHE -5.18 0.85 1 92 LYS 0.92 0.26 1 93 ILE -0.34 0.68 1 94 ILE -6.21 4.38 1 95 ALA -0.69 -0.95 1 96 ALA 0.33 -1.85 1 97 ASP 4.66 -1.50 1 98 ASN 0.34 -1.09 1 100 ASP 2.58 -0.84 1 101 ALA -0.16 0.44 1 102 TRP -6.32 4.15 1 103 VAL -4.91 2.84 1 104 GLU -4.83 3.22 1 105 VAL -3.62 2.82 1 106 LYS 4.18 -3.10 1 108 GLN -2.19 0.72 1 109 LYS 0.44 -0.14 1 110 MET -4.24 3.72 1 111 ALA -2.77 1.05 1 114 GLN 3.27 0.00 1 115 ILE 3.26 -1.04 1 117 ALA 2.15 0.79 1 118 GLU 3.71 -1.49 1 119 VAL 4.62 -0.68 1 120 LEU 3.83 -0.63 1 121 LYS 4.86 -0.16 1 122 LYS 3.82 -1.15 1 124 LYS 2.27 1.56 1 125 LYS 3.30 -0.74 1 126 THR 5.45 -0.24 1 127 ALA 3.03 -0.15 1 128 GLU 3.88 -0.58 1 129 ASP 4.29 -1.44 1 130 TYR 2.80 0.46 1 131 LEU -0.84 1.96 1 133 GLU -2.93 2.07 1 135 VAL -1.68 1.64 1 136 THR -1.47 0.96 1 137 GLU -6.23 5.57 1 139 VAL -1.46 1.49 1 140 ILE -4.02 2.58 1 141 THR -1.93 -0.35 1 142 VAL -3.21 1.20 1 144 ALA 3.28 -1.36 1 145 TYR -0.66 -1.54 1 146 PHE 1.83 -2.79 1 147 ASN -1.92 0.09 1 148 ASP 4.89 -0.54 1 149 ALA 4.27 -1.15 1 150 GLN 3.63 0.32 1 151 ARG 6.50 -1.14 1 152 GLN 4.67 -1.58 1 153 ALA 2.02 0.45 1 155 LYS 6.20 -1.24 1 156 ASP 4.54 -1.14 1 157 ALA 3.38 -0.80 1 159 ARG 5.07 -1.44 1 160 ILE 4.30 0.01 1 161 ALA -0.97 0.95 1 163 LEU -4.13 1.66 1 164 GLU -0.81 -0.19 1 165 VAL 2.14 -2.00 1 166 LYS 1.40 -0.74 1 167 ARG -4.68 4.01 1 168 ILE -1.56 -0.67 1 169 ILE -5.94 2.88 1 171 GLU 7.83 -2.98 1 173 THR 4.75 0.11 1 174 ALA 3.52 -0.50 1 176 ALA 5.06 -1.55 1 177 LEU 3.13 -0.50 1 181 LEU 2.59 -1.36 1 183 LYS 0.44 -0.72 1 185 THR -1.32 0.96 1 187 ASN -0.10 0.36 1 188 ARG -4.47 3.81 1 189 THR 0.91 -0.35 1 190 ILE -5.57 3.08 1 191 ALA -5.32 2.77 1 192 VAL 0.94 -1.05 1 193 TYR 0.06 0.47 1 201 ASP -5.21 4.79 1 202 ILE -7.23 1.83 1 203 SER -2.99 1.71 1 205 ILE -5.72 3.38 1 206 GLU -4.58 2.61 1 207 ILE -0.70 0.12 1 208 ASP -4.26 2.31 1 209 GLU -3.11 2.21 1 210 VAL -1.66 1.50 1 211 ASP 2.74 -1.29 1 213 GLU -4.05 2.12 1 214 LYS -0.54 -0.59 1 215 THR -2.76 1.19 1 216 PHE -2.30 1.05 1 217 GLU -3.63 2.12 1 218 VAL 2.45 -1.60 1 219 LEU 0.79 0.31 1 220 ALA -4.15 4.65 1 221 THR -3.34 1.86 1 222 ASN -3.03 3.01 1 224 ASP -3.16 3.01 1 225 THR 1.72 -0.24 1 226 HIS 0.53 -0.79 1 227 LEU -2.07 1.62 1 230 GLU 3.87 -0.47 1 231 ASP 1.59 0.26 1 234 SER 4.81 -1.06 1 235 ARG 1.77 -0.80 1 236 LEU 3.12 -0.45 1 237 ILE 5.91 -0.02 1 238 ASN 4.64 -0.69 1 239 TYR 3.35 0.11 1 240 LEU 3.72 -0.57 1 241 VAL 5.25 -0.50 1 242 GLU 3.84 -0.78 1 243 GLU 2.96 -0.43 1 245 LYS 3.84 -0.34 1 246 LYS 4.04 -0.74 1 247 ASP 0.74 1.91 1 248 GLN -0.83 0.52 1 250 ILE -5.17 3.98 1 251 ASP -2.10 0.15 1 252 LEU 1.65 -0.09 1 253 ARG 3.86 -1.09 1 254 ASN 0.36 -0.05 1 255 ASP -2.92 1.35 1 257 LEU 3.87 -1.17 1 258 ALA 2.76 -0.35 1 259 MET 4.57 -3.73 1 261 ARG 3.16 0.29 1 262 LEU 2.47 0.41 1 264 GLU 2.26 0.22 1 265 ALA 1.64 0.57 1 266 ALA 2.78 -0.14 1 267 GLU 4.42 -1.13 1 268 LYS 4.22 -0.70 1 269 ALA 3.94 -1.75 1 271 ILE 6.05 -1.00 1 275 SER 0.09 0.65 1 276 ALA -4.20 2.80 1 277 GLN 1.38 -0.28 1 278 GLN -1.97 1.47 1 279 THR -1.12 -0.14 1 280 ASP -2.39 1.86 1 281 VAL 2.51 -1.76 1 282 ASN -2.67 1.41 1 283 LEU -4.96 2.86 1 285 TYR 5.31 -4.14 1 286 ILE -0.65 -0.38 1 287 THR 1.04 -2.29 1 288 ALA -3.22 3.10 1 289 ASP -2.40 1.05 1 290 ALA 3.05 -0.23 1 291 THR 0.91 -0.04 1 294 LYS -5.55 2.21 1 295 HIS -5.40 4.75 1 296 MET -3.32 2.71 1 297 ASN 0.10 0.85 1 298 ILE -4.48 4.12 1 299 LYS 0.16 -0.29 1 300 VAL -2.09 1.44 1 301 THR -2.88 1.01 1 302 ARG 5.30 -1.14 1 303 ALA 3.93 -1.15 1 304 LYS 4.06 -3.04 1 305 LEU 4.56 -0.73 1 306 GLU 4.87 -1.04 1 307 SER 3.79 -0.84 1 309 VAL -1.57 -0.16 1 310 GLU 4.90 -0.53 1 311 ASP 4.24 -1.69 1 312 LEU 3.02 -0.70 1 313 VAL 6.13 -1.36 1 314 ASN 4.89 -1.84 1 315 ARG 3.61 -0.49 1 316 SER 3.08 -1.21 1 317 ILE 2.56 -2.82 1 318 GLU 7.86 -3.27 1 321 LYS 4.38 -0.51 1 322 VAL 4.87 -0.59 1 323 ALA 4.35 -1.76 1 324 LEU 5.29 -1.56 1 325 GLN 4.51 -0.85 1 327 ALA -0.37 0.35 1 329 LEU -5.29 3.83 1 330 SER -3.81 2.16 1 331 VAL 5.86 -1.16 1 332 SER 2.70 -0.85 1 333 ASP -0.96 2.41 1 335 ASP 2.01 1.45 1 336 ASP -5.92 5.32 1 337 VAL -3.14 0.87 1 340 VAL -3.89 2.99 1 343 GLN -0.58 0.47 1 344 THR 2.64 -0.44 1 345 ARG 1.80 -0.24 1 346 MET 0.57 0.72 1 348 MET 4.12 0.47 1 349 VAL 5.76 -1.16 1 350 GLN 6.84 -2.38 1 351 LYS 3.10 -0.34 1 352 LYS 4.26 -1.84 1 354 ALA 2.51 -0.14 1 355 GLU 2.24 0.19 1 357 PHE 3.37 -0.18 1 359 LYS -1.76 2.05 1 362 ARG 0.56 -0.14 1 363 LYS -0.24 -0.72 1 364 ASP 2.22 -0.78 1 365 VAL -2.35 0.80 1 366 ASN 0.60 -2.15 1 372 ALA 4.14 -1.15 1 373 ILE 5.91 -0.97 1 375 ALA 4.43 -1.55 1 376 ALA 4.33 -1.75 1 378 GLN 3.88 -1.44 1 382 LEU 1.46 -0.64 1 383 THR 0.87 0.26 1 385 ASP 0.04 0.31 1 386 VAL -0.12 0.50 1 387 LYS -0.32 0.25 1 388 ASP 0.60 1.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17208_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.49 _LACS_plot.Line_1_terminator_val_y_1 -3.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 3.97 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 227 LEU -2.07 -5.69 0 52 GLN 9.86 0.63 0 16 VAL -6.57 -5.76 1 17 ALA -7.31 -2.67 1 18 ILE -6.64 -1.89 1 19 MET 1.99 -1.60 1 20 ASP -1.61 -0.33 1 22 THR 0.68 -0.32 1 23 THR -2.09 -1.49 1 25 ARG -3.72 -1.68 1 26 VAL 1.00 -0.66 1 27 LEU -1.38 -1.70 1 28 GLU -1.56 -0.31 1 29 ASN -1.41 2.30 1 30 ALA 3.27 0.81 1 31 GLU 2.74 -0.33 1 33 ASP -2.91 1.16 1 34 ARG 1.80 -1.08 1 35 THR -4.26 -1.23 1 36 THR -2.85 -1.43 1 38 SER -1.25 0.81 1 39 ILE -3.18 -3.25 1 40 ILE -4.79 -2.82 1 41 ALA -8.49 -3.40 1 42 TYR -1.16 1.32 1 43 THR -2.03 2.59 1 44 GLN 2.61 0.64 1 45 ASP 0.62 -0.09 1 47 GLU -1.98 -0.68 1 48 THR -0.13 -0.58 1 49 LEU -4.76 -1.81 1 50 VAL -4.22 -0.42 1 54 ALA 0.66 2.11 1 55 LYS 3.91 2.12 1 56 ARG 2.84 -0.71 1 57 GLN -1.98 -1.18 1 58 ALA 3.00 1.97 1 60 THR 1.19 -0.12 1 61 ASN 0.19 0.15 1 63 GLN 3.76 0.07 1 64 ASN -2.46 -1.79 1 65 THR 2.61 -2.49 1 66 LEU -1.03 -3.94 1 67 PHE -3.58 -4.59 1 68 ALA 3.39 -0.42 1 72 LEU -2.03 -0.23 1 73 ILE 1.44 -1.03 1 75 ARG -1.44 0.73 1 76 ARG -0.61 0.44 1 77 PHE 4.33 -0.31 1 78 GLN 1.32 -0.53 1 79 ASP -0.44 1.17 1 80 GLU 4.12 2.52 1 81 GLU 3.17 2.17 1 82 VAL 4.89 2.05 1 83 GLN 3.36 2.62 1 84 ARG 4.31 1.89 1 85 ASP 4.25 2.32 1 86 VAL 4.85 1.69 1 88 ILE -0.81 0.43 1 89 MET 1.63 0.84 1 91 PHE -5.18 -2.46 1 92 LYS 0.92 -1.87 1 93 ILE -0.34 -0.74 1 94 ILE -6.21 -2.84 1 95 ALA -0.69 0.05 1 96 ALA 0.33 1.26 1 97 ASP 4.66 0.33 1 98 ASN 0.34 1.89 1 100 ASP 2.58 -2.00 1 101 ALA -0.16 -3.09 1 102 TRP -6.32 -1.44 1 103 VAL -4.91 -1.90 1 104 GLU -4.83 -1.77 1 105 VAL -3.62 -0.93 1 106 LYS 4.18 0.04 1 108 GLN -2.19 -1.57 1 109 LYS 0.44 -0.44 1 110 MET -4.24 -3.85 1 111 ALA -2.77 1.45 1 114 GLN 3.27 0.89 1 115 ILE 3.26 2.74 1 117 ALA 2.15 1.52 1 118 GLU 3.71 3.74 1 119 VAL 4.62 2.38 1 120 LEU 3.83 1.02 1 121 LYS 4.86 2.52 1 122 LYS 3.82 2.92 1 124 LYS 2.27 0.62 1 125 LYS 3.30 1.14 1 126 THR 5.45 1.98 1 127 ALA 3.03 0.69 1 128 GLU 3.88 4.17 1 129 ASP 4.29 1.72 1 130 TYR 2.80 1.66 1 131 LEU -0.84 1.24 1 133 GLU -2.93 -3.37 1 135 VAL -1.68 -1.03 1 136 THR -1.47 -0.28 1 137 GLU -6.23 -2.18 1 138 ALA -7.67 -1.60 1 139 VAL -1.46 -1.63 1 140 ILE -4.02 -2.20 1 141 THR -1.93 -0.54 1 142 VAL -3.21 -1.87 1 144 ALA 3.28 -0.41 1 145 TYR -0.66 0.52 1 146 PHE 1.83 1.80 1 147 ASN -1.92 1.08 1 148 ASP 4.89 1.94 1 149 ALA 4.27 4.09 1 150 GLN 3.63 3.60 1 151 ARG 6.50 1.82 1 152 GLN 4.67 1.98 1 153 ALA 2.02 1.66 1 155 LYS 6.20 2.89 1 156 ASP 4.54 1.60 1 157 ALA 3.38 1.37 1 159 ARG 5.07 5.26 1 160 ILE 4.30 0.97 1 161 ALA -0.97 -2.14 1 163 LEU -4.13 -2.24 1 164 GLU -0.81 -0.91 1 165 VAL 2.14 -0.61 1 166 LYS 1.40 0.67 1 167 ARG -4.68 -2.91 1 168 ILE -1.56 0.40 1 169 ILE -5.94 -2.31 1 173 THR 4.75 0.37 1 174 ALA 3.52 1.49 1 176 ALA 5.06 2.28 1 181 LEU 2.59 -1.49 1 183 LYS 0.44 0.45 1 185 THR -1.32 0.41 1 187 ASN -0.10 0.08 1 188 ARG -4.47 -2.14 1 189 THR 0.91 -0.28 1 190 ILE -5.57 -2.23 1 191 ALA -5.32 -2.97 1 192 VAL 0.94 -2.15 1 193 TYR 0.06 -3.67 1 201 ASP -5.21 -4.45 1 202 ILE -7.23 -3.22 1 203 SER -2.99 -2.63 1 205 ILE -5.72 -3.31 1 206 GLU -4.58 -1.29 1 207 ILE -0.70 -1.83 1 208 ASP -4.26 -1.77 1 209 GLU -3.11 -1.38 1 210 VAL -1.66 -0.32 1 211 ASP 2.74 -0.27 1 213 GLU -4.05 -1.29 1 214 LYS -0.54 0.25 1 215 THR -2.76 -2.67 1 216 PHE -2.30 -0.31 1 217 GLU -3.63 -1.11 1 218 VAL 2.45 -0.12 1 219 LEU 0.79 0.31 1 220 ALA -4.15 -2.11 1 221 THR -3.34 -1.91 1 222 ASN -3.03 -0.57 1 224 ASP -3.16 0.30 1 225 THR 1.72 -0.56 1 226 HIS 0.53 -1.42 1 230 GLU 3.87 3.43 1 231 ASP 1.59 2.84 1 234 SER 4.81 2.14 1 235 ARG 1.77 3.39 1 236 LEU 3.12 0.24 1 237 ILE 5.91 0.76 1 239 TYR 3.35 0.44 1 240 LEU 3.72 1.67 1 241 VAL 5.25 3.58 1 242 GLU 3.84 3.33 1 243 GLU 2.96 2.29 1 245 LYS 3.84 3.09 1 246 LYS 4.04 1.19 1 247 ASP 0.74 1.04 1 248 GLN -0.83 1.28 1 250 ILE -5.17 -2.56 1 251 ASP -2.10 0.56 1 252 LEU 1.65 -0.68 1 253 ARG 3.86 1.49 1 254 ASN 0.36 -1.48 1 257 LEU 3.87 2.36 1 258 ALA 2.76 2.68 1 259 MET 4.57 3.64 1 261 ARG 3.16 3.98 1 262 LEU 2.47 0.23 1 264 GLU 2.26 2.36 1 265 ALA 1.64 2.83 1 266 ALA 2.78 0.61 1 267 GLU 4.42 1.43 1 268 LYS 4.22 2.06 1 269 ALA 3.94 0.78 1 271 ILE 6.05 4.49 1 275 SER 0.09 -1.66 1 276 ALA -4.20 -0.63 1 277 GLN 1.38 0.39 1 278 GLN -1.97 -3.51 1 279 THR -1.12 -4.62 1 280 ASP -2.39 -0.58 1 281 VAL 2.51 -2.87 1 282 ASN -2.67 -1.15 1 283 LEU -4.96 -3.02 1 285 TYR 5.31 0.95 1 286 ILE -0.65 -2.35 1 287 THR 1.04 -3.02 1 288 ALA -3.22 -2.20 1 289 ASP -2.40 1.19 1 290 ALA 3.05 1.64 1 291 THR 0.91 0.25 1 294 LYS -5.55 -2.48 1 295 HIS -5.40 0.85 1 296 MET -3.32 -1.06 1 297 ASN 0.10 -1.81 1 298 ILE -4.48 -2.62 1 299 LYS 0.16 -0.39 1 300 VAL -2.09 -0.98 1 301 THR -2.88 0.32 1 302 ARG 5.30 1.16 1 303 ALA 3.93 2.79 1 304 LYS 4.06 2.31 1 305 LEU 4.56 0.39 1 306 GLU 4.87 1.98 1 307 SER 3.79 3.84 1 309 VAL -1.57 0.46 1 310 GLU 4.90 0.39 1 311 ASP 4.24 2.31 1 312 LEU 3.02 0.42 1 313 VAL 6.13 4.11 1 314 ASN 4.89 3.45 1 315 ARG 3.61 1.42 1 316 SER 3.08 -2.41 1 317 ILE 2.56 1.65 1 318 GLU 7.86 0.20 1 321 LYS 4.38 3.49 1 322 VAL 4.87 0.79 1 323 ALA 4.35 1.75 1 324 LEU 5.29 1.08 1 325 GLN 4.51 4.52 1 327 ALA -0.37 -1.10 1 329 LEU -5.29 -1.94 1 330 SER -3.81 1.75 1 331 VAL 5.86 1.92 1 332 SER 2.70 0.29 1 333 ASP -0.96 -1.35 1 334 ILE 0.46 -1.30 1 335 ASP 2.01 -0.57 1 336 ASP -5.92 -3.25 1 337 VAL -3.14 -2.04 1 340 VAL -3.89 -4.04 1 343 GLN -0.58 2.58 1 344 THR 2.64 -0.88 1 345 ARG 1.80 -0.14 1 346 MET 0.57 0.50 1 348 MET 4.12 2.20 1 349 VAL 5.76 0.15 1 350 GLN 6.84 2.50 1 351 LYS 3.10 2.23 1 352 LYS 4.26 3.31 1 354 ALA 2.51 3.86 1 355 GLU 2.24 2.04 1 357 PHE 3.37 0.59 1 359 LYS -1.76 -1.09 1 362 ARG 0.56 -0.26 1 363 LYS -0.24 -0.03 1 364 ASP 2.22 -0.60 1 365 VAL -2.35 -1.53 1 372 ALA 4.14 2.04 1 373 ILE 5.91 1.68 1 375 ALA 4.43 1.10 1 376 ALA 4.33 2.64 1 378 GLN 3.88 3.01 1 382 LEU 1.46 0.07 1 383 THR 0.87 0.54 1 385 ASP 0.04 -0.28 1 386 VAL -0.12 -0.44 1 387 LYS -0.32 -1.36 1 388 ASP 0.60 4.54 1 stop_ save_