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 bmr6807_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.43 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 5.36 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 354 ARG -8.58 -1.51 0 10 TRP -6.40 -3.35 1 11 ILE -3.97 -1.16 1 12 ASN 0.24 1.10 1 14 ASP 0.24 -1.12 1 15 LYS -3.15 -3.22 1 17 TYR 3.10 1.98 1 18 ASN 4.49 3.04 1 20 LEU 3.62 2.60 1 21 ALA 4.50 2.72 1 22 GLU 4.50 3.24 1 23 VAL 6.34 4.71 1 25 LYS 4.44 3.18 1 26 LYS 4.61 3.62 1 27 PHE 4.23 3.84 1 28 GLU 2.48 2.40 1 29 LYS 4.89 3.22 1 30 ASP 2.54 2.38 1 31 THR -1.53 0.97 1 33 ILE 0.65 -2.16 1 34 LYS 0.79 0.56 1 35 VAL -1.49 -1.24 1 36 THR -1.60 -0.31 1 37 VAL 0.07 -0.59 1 38 GLU -5.81 -2.38 1 39 HIS -1.59 -2.02 1 41 ASP 0.75 0.69 1 42 LYS 3.91 0.34 1 43 LEU 6.00 4.57 1 44 GLU 5.73 0.60 1 45 GLU -0.23 -0.02 1 46 LYS 2.00 2.38 1 49 GLN 3.25 2.46 1 50 VAL 0.86 0.10 1 51 ALA 3.88 2.33 1 52 ALA 1.89 0.86 1 53 THR -0.84 -0.62 1 55 ASP -3.72 -1.62 1 58 ASP 1.35 4.22 1 59 ILE -6.19 -2.15 1 60 ILE -6.04 -3.23 1 61 PHE -4.32 -2.00 1 62 TRP -2.25 -0.12 1 63 ALA 1.76 1.36 1 64 HIS 4.11 5.27 1 65 ASP 4.25 2.26 1 66 ARG -0.17 -1.13 1 67 PHE 3.85 0.74 1 70 TYR 2.21 -0.80 1 71 ALA 3.13 1.93 1 72 GLN 4.67 2.92 1 73 SER 0.59 0.84 1 75 LEU 0.28 0.45 1 76 LEU -4.01 -2.66 1 77 ALA -1.46 -1.54 1 78 GLU -0.21 -0.57 1 79 ILE -1.99 -1.36 1 80 THR -1.40 -1.88 1 82 ASP -3.42 -4.61 1 83 LYS 4.91 3.65 1 84 ALA 4.00 2.35 1 85 PHE 4.93 4.61 1 86 GLN 5.16 4.08 1 87 ASP 2.13 1.92 1 88 LYS 3.03 1.97 1 89 LEU -1.98 -1.66 1 90 TYR 2.58 3.33 1 92 PHE 4.49 1.59 1 94 TRP 1.04 1.02 1 95 ASP 4.26 3.03 1 96 ALA 2.53 1.17 1 97 VAL -0.21 -2.51 1 98 ARG -2.18 -1.19 1 99 TYR -2.79 0.50 1 100 ASN 2.48 0.69 1 102 LYS -3.42 -1.64 1 103 LEU 0.01 0.04 1 104 ILE -1.94 -1.43 1 105 ALA -3.32 -0.43 1 106 TYR -1.68 0.22 1 108 ILE 0.70 -0.15 1 109 ALA -5.96 -1.88 1 110 VAL -1.67 -0.29 1 111 GLU -5.07 -1.67 1 112 ALA -4.62 -1.67 1 113 LEU -1.00 0.14 1 114 SER -4.62 -1.14 1 115 LEU -2.07 -0.68 1 117 TYR -6.87 -3.40 1 118 ASN 0.18 -1.00 1 119 LYS 3.18 2.66 1 120 ASP 2.84 2.13 1 121 LEU -1.66 0.15 1 122 LEU -3.86 -1.41 1 124 ASN -0.59 2.20 1 127 LYS -0.04 0.34 1 128 THR -3.81 -1.77 1 129 TRP 4.47 3.49 1 130 GLU 7.00 5.24 1 131 GLU -0.85 0.57 1 132 ILE 3.96 2.72 1 134 ALA 2.59 2.30 1 135 LEU 3.89 4.64 1 136 ASP 5.16 4.21 1 137 LYS 3.06 2.64 1 138 GLU 4.83 2.88 1 139 LEU 3.74 2.67 1 140 LYS 3.26 1.87 1 141 ALA -0.62 -1.24 1 142 LYS -4.94 -2.91 1 144 LYS -4.30 -1.70 1 145 SER 4.45 3.21 1 146 ALA -3.98 -0.75 1 147 LEU -4.68 0.40 1 148 MET -3.91 -2.04 1 149 PHE 1.98 0.35 1 150 ASN -0.26 -0.65 1 151 LEU 0.82 -0.08 1 152 GLN -6.85 -2.82 1 153 GLU 3.18 4.58 1 155 TYR 0.95 2.94 1 156 PHE 1.56 1.13 1 157 THR 0.89 0.86 1 160 LEU 5.82 4.71 1 161 ILE 0.54 -0.26 1 162 ALA 3.25 3.82 1 163 ALA -2.15 -0.91 1 164 ASP -0.64 -0.36 1 167 TYR 3.31 0.67 1 168 ALA -5.01 -2.08 1 169 PHE 1.38 0.88 1 170 LYS -2.66 -1.61 1 171 TYR 2.62 0.96 1 173 ASN -4.07 -1.69 1 175 LYS -0.12 0.94 1 176 TYR -1.61 -1.37 1 177 ASP 4.27 2.53 1 178 ILE -0.66 -1.60 1 179 LYS -0.78 -0.91 1 180 ASP -4.94 -2.97 1 181 VAL 1.38 1.14 1 183 VAL -1.39 -2.64 1 184 ASP -1.89 -1.51 1 185 ASN 3.91 2.99 1 186 ALA 2.21 1.36 1 188 ALA 4.62 3.49 1 189 LYS 4.51 3.21 1 190 ALA 4.29 2.15 1 192 LEU 5.07 4.63 1 194 PHE 4.64 3.63 1 195 LEU 7.19 5.12 1 196 VAL 5.06 3.82 1 197 ASP 3.63 3.48 1 198 LEU 2.52 2.28 1 199 ILE 4.49 3.71 1 200 LYS 0.53 0.34 1 201 ASN 7.09 1.32 1 202 LYS 2.70 2.16 1 203 HIS -5.42 -0.83 1 204 MET 3.04 2.14 1 206 ALA 0.69 -0.56 1 207 ASP 5.62 4.96 1 208 THR -3.40 -2.45 1 209 ASP 5.29 5.54 1 210 TYR 4.55 3.53 1 211 SER 3.98 3.93 1 212 ILE 4.83 2.76 1 213 ALA 3.40 2.06 1 215 ALA 1.77 2.38 1 216 ALA 6.81 5.29 1 217 PHE -0.06 -0.17 1 219 LYS 0.28 0.80 1 221 GLU -4.62 -3.80 1 222 THR 0.86 2.13 1 223 ALA -2.71 -0.79 1 226 ILE -4.58 -0.73 1 227 ASN -5.93 -3.32 1 242 TYR -2.29 -0.79 1 244 VAL -4.62 -2.85 1 245 THR 2.88 2.52 1 246 VAL -2.46 -0.86 1 249 THR -3.15 -0.94 1 250 PHE -2.70 -1.40 1 253 GLN 2.80 3.92 1 255 SER -2.03 -1.18 1 256 LYS 0.21 0.69 1 258 PHE -1.31 -0.33 1 259 VAL -1.67 -2.05 1 261 VAL 2.76 1.48 1 262 LEU -1.90 0.49 1 263 SER -4.43 -2.77 1 264 ALA 0.48 0.41 1 267 ASN 4.09 2.81 1 268 ALA -0.55 -1.13 1 269 ALA -1.24 -0.16 1 270 SER -1.91 -0.47 1 272 ASN 6.78 5.52 1 273 LYS 5.00 3.24 1 274 GLU 2.45 2.27 1 275 LEU 4.07 2.83 1 276 ALA 4.54 4.07 1 277 LYS 3.72 3.09 1 278 GLU 5.04 3.98 1 279 PHE 4.77 3.22 1 280 LEU 4.02 3.01 1 281 GLU -0.26 -0.11 1 282 ASN 2.67 1.90 1 283 TYR 4.33 3.08 1 284 LEU 3.17 -0.61 1 285 LEU -6.74 -2.95 1 286 THR 5.73 4.17 1 287 ASP 3.39 2.75 1 288 GLU 2.79 2.20 1 290 LEU 3.51 2.81 1 291 GLU 4.27 2.77 1 292 ALA 6.15 5.16 1 293 VAL 1.25 3.28 1 294 ASN 3.03 2.17 1 295 LYS 0.95 1.93 1 296 ASP -3.94 -1.64 1 297 LYS -0.97 0.53 1 299 LEU -1.37 -1.09 1 301 ALA -5.06 -2.59 1 302 VAL 0.26 0.58 1 303 ALA -2.54 -0.79 1 304 LEU 5.59 4.34 1 305 LYS 3.77 3.12 1 306 SER 1.39 1.20 1 307 TYR 5.38 1.38 1 308 GLU 3.54 2.67 1 309 GLU 1.88 1.26 1 310 GLU 2.47 2.03 1 311 LEU 3.60 1.49 1 312 ALA 3.80 2.64 1 313 LYS -2.42 -1.68 1 314 ASP 3.80 2.39 1 316 ARG 5.58 3.53 1 317 ILE 5.18 3.34 1 318 ALA 3.86 2.64 1 319 ALA 3.01 1.69 1 321 MET 4.24 3.32 1 322 GLU 3.57 3.80 1 323 ASN 3.38 1.90 1 324 ALA 4.03 2.69 1 325 GLN 0.12 -0.17 1 326 LYS -5.77 -2.73 1 328 GLU 0.83 0.07 1 329 ILE 1.16 3.27 1 330 MET -1.16 -1.67 1 332 ASN 2.76 0.86 1 333 ILE 6.86 3.75 1 335 GLN 3.16 0.62 1 336 MET 2.67 2.12 1 338 ALA 4.72 4.11 1 339 PHE 1.68 2.52 1 340 TRP 3.87 3.51 1 341 TYR 2.38 2.36 1 342 ALA 6.92 4.82 1 343 VAL 5.24 4.73 1 345 THR 3.50 2.99 1 346 ALA 7.10 5.36 1 347 VAL 5.04 3.94 1 348 ILE 4.56 2.77 1 349 ASN 2.66 1.42 1 350 ALA 4.21 3.02 1 351 ALA 0.04 0.54 1 352 SER 2.46 2.44 1 355 GLN -1.22 -0.46 1 356 THR 7.25 5.74 1 357 VAL 3.68 3.46 1 358 ASP 1.92 2.23 1 359 GLU 3.14 2.35 1 360 ALA 4.79 2.31 1 361 LEU 4.99 3.59 1 362 LYS 3.71 3.01 1 363 ASP 4.15 2.72 1 364 ALA 6.70 4.70 1 365 GLN 5.15 4.37 1 366 THR 3.81 2.86 1 367 ARG 3.69 3.79 1 368 ILE 0.09 0.68 1 369 THR 3.17 2.72 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6807_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 4.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 -1.88 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 354 ARG -8.58 7.07 0 10 TRP -6.40 3.05 1 11 ILE -3.97 2.81 1 12 ASN 0.24 0.86 1 14 ASP 0.24 -1.36 1 15 LYS -3.15 -0.07 1 17 TYR 3.10 -1.12 1 18 ASN 4.49 -1.45 1 20 LEU 3.62 -1.02 1 21 ALA 4.50 -1.78 1 22 GLU 4.50 -1.26 1 23 VAL 6.34 -1.63 1 25 LYS 4.44 -1.26 1 26 LYS 4.61 -0.99 1 27 PHE 4.23 -0.39 1 28 GLU 2.48 -0.08 1 29 LYS 4.89 -1.67 1 30 ASP 2.54 -0.16 1 31 THR -1.53 2.50 1 33 ILE 0.65 -2.81 1 34 LYS 0.79 -0.23 1 35 VAL -1.49 0.25 1 36 THR -1.60 1.29 1 37 VAL 0.07 -0.66 1 38 GLU -5.81 3.43 1 39 HIS -1.59 -0.43 1 41 ASP 0.75 -0.06 1 42 LYS 3.91 -3.57 1 43 LEU 6.00 -1.43 1 44 GLU 5.73 -5.13 1 45 GLU -0.23 0.21 1 46 LYS 2.00 0.38 1 49 GLN 3.25 -0.79 1 50 VAL 0.86 -0.76 1 51 ALA 3.88 -1.55 1 52 ALA 1.89 -1.03 1 53 THR -0.84 0.22 1 55 ASP -3.72 2.10 1 58 ASP 1.35 2.87 1 59 ILE -6.19 4.04 1 60 ILE -6.04 2.81 1 61 PHE -4.32 2.32 1 62 TRP -2.25 2.13 1 63 ALA 1.76 -0.40 1 64 HIS 4.11 1.16 1 65 ASP 4.25 -1.99 1 66 ARG -0.17 -0.96 1 67 PHE 3.85 -3.11 1 70 TYR 2.21 -3.01 1 71 ALA 3.13 -1.20 1 72 GLN 4.67 -1.75 1 73 SER 0.59 0.25 1 75 LEU 0.28 0.17 1 76 LEU -4.01 1.35 1 77 ALA -1.46 -0.08 1 78 GLU -0.21 -0.36 1 79 ILE -1.99 0.63 1 80 THR -1.40 -0.48 1 82 ASP -3.42 -1.19 1 83 LYS 4.91 -1.26 1 84 ALA 4.00 -1.65 1 85 PHE 4.93 -0.32 1 86 GLN 5.16 -1.08 1 87 ASP 2.13 -0.21 1 88 LYS 3.03 -1.06 1 89 LEU -1.98 0.32 1 90 TYR 2.58 0.75 1 92 PHE 4.49 -2.90 1 94 TRP 1.04 -0.02 1 95 ASP 4.26 -1.23 1 96 ALA 2.53 -1.36 1 97 VAL -0.21 -2.30 1 98 ARG -2.18 0.99 1 99 TYR -2.79 3.29 1 100 ASN 2.48 -1.79 1 102 LYS -3.42 1.78 1 103 LEU 0.01 0.03 1 104 ILE -1.94 0.51 1 105 ALA -3.32 2.89 1 106 TYR -1.68 1.90 1 108 ILE 0.70 -0.85 1 109 ALA -5.96 4.08 1 110 VAL -1.67 1.38 1 111 GLU -5.07 3.40 1 112 ALA -4.62 2.95 1 113 LEU -1.00 1.14 1 114 SER -4.62 3.48 1 115 LEU -2.07 1.39 1 117 TYR -6.87 3.47 1 118 ASN 0.18 -1.18 1 119 LYS 3.18 -0.52 1 120 ASP 2.84 -0.71 1 121 LEU -1.66 1.81 1 122 LEU -3.86 2.45 1 124 ASN -0.59 2.79 1 127 LYS -0.04 0.38 1 128 THR -3.81 2.04 1 129 TRP 4.47 -0.98 1 130 GLU 7.00 -1.76 1 131 GLU -0.85 1.42 1 132 ILE 3.96 -1.24 1 134 ALA 2.59 -0.29 1 135 LEU 3.89 0.75 1 136 ASP 5.16 -0.95 1 137 LYS 3.06 -0.42 1 138 GLU 4.83 -1.95 1 139 LEU 3.74 -1.07 1 140 LYS 3.26 -1.39 1 141 ALA -0.62 -0.62 1 142 LYS -4.94 2.03 1 144 LYS -4.30 2.60 1 145 SER 4.45 -1.24 1 146 ALA -3.98 3.23 1 147 LEU -4.68 5.08 1 148 MET -3.91 1.87 1 149 PHE 1.98 -1.63 1 150 ASN -0.26 -0.39 1 151 LEU 0.82 -0.90 1 152 GLN -6.85 4.03 1 153 GLU 3.18 1.40 1 155 TYR 0.95 1.99 1 156 PHE 1.56 -0.43 1 157 THR 0.89 -0.03 1 160 LEU 5.82 -1.11 1 161 ILE 0.54 -0.80 1 162 ALA 3.25 0.57 1 163 ALA -2.15 1.24 1 164 ASP -0.64 0.28 1 167 TYR 3.31 -2.64 1 168 ALA -5.01 2.93 1 169 PHE 1.38 -0.50 1 170 LYS -2.66 1.05 1 171 TYR 2.62 -1.66 1 173 ASN -4.07 2.38 1 175 LYS -0.12 1.06 1 176 TYR -1.61 0.24 1 177 ASP 4.27 -1.74 1 178 ILE -0.66 -0.94 1 179 LYS -0.78 -0.13 1 180 ASP -4.94 1.97 1 181 VAL 1.38 -0.24 1 183 VAL -1.39 -1.25 1 184 ASP -1.89 0.38 1 185 ASN 3.91 -0.92 1 186 ALA 2.21 -0.85 1 188 ALA 4.62 -1.13 1 189 LYS 4.51 -1.30 1 190 ALA 4.29 -2.14 1 192 LEU 5.07 -0.44 1 194 PHE 4.64 -1.01 1 195 LEU 7.19 -2.07 1 196 VAL 5.06 -1.24 1 197 ASP 3.63 -0.15 1 198 LEU 2.52 -0.24 1 199 ILE 4.49 -0.78 1 200 LYS 0.53 -0.19 1 201 ASN 7.09 -5.77 1 202 LYS 2.70 -0.54 1 203 HIS -5.42 4.59 1 204 MET 3.04 -0.90 1 206 ALA 0.69 -1.25 1 207 ASP 5.62 -0.66 1 208 THR -3.40 0.95 1 209 ASP 5.29 0.25 1 210 TYR 4.55 -1.02 1 211 SER 3.98 -0.05 1 212 ILE 4.83 -2.07 1 213 ALA 3.40 -1.34 1 215 ALA 1.77 0.61 1 216 ALA 6.81 -1.52 1 217 PHE -0.06 -0.11 1 219 LYS 0.28 0.52 1 221 GLU -4.62 0.82 1 222 THR 0.86 1.27 1 223 ALA -2.71 1.92 1 226 ILE -4.58 3.85 1 227 ASN -5.93 2.61 1 242 TYR -2.29 1.50 1 244 VAL -4.62 1.77 1 245 THR 2.88 -0.36 1 246 VAL -2.46 1.60 1 249 THR -3.15 2.21 1 250 PHE -2.70 1.30 1 253 GLN 2.80 1.12 1 255 SER -2.03 0.85 1 256 LYS 0.21 0.48 1 258 PHE -1.31 0.98 1 259 VAL -1.67 -0.38 1 261 VAL 2.76 -1.28 1 262 LEU -1.90 2.39 1 263 SER -4.43 1.66 1 264 ALA 0.48 -0.07 1 267 ASN 4.09 -1.28 1 268 ALA -0.55 -0.58 1 269 ALA -1.24 1.08 1 270 SER -1.91 1.44 1 272 ASN 6.78 -1.26 1 273 LYS 5.00 -1.76 1 274 GLU 2.45 -0.18 1 275 LEU 4.07 -1.24 1 276 ALA 4.54 -0.47 1 277 LYS 3.72 -0.63 1 278 GLU 5.04 -1.06 1 279 PHE 4.77 -1.55 1 280 LEU 4.02 -1.01 1 281 GLU -0.26 0.15 1 282 ASN 2.67 -0.77 1 283 TYR 4.33 -1.25 1 284 LEU 3.17 -3.78 1 285 LEU -6.74 3.79 1 286 THR 5.73 -1.56 1 287 ASP 3.39 -0.64 1 288 GLU 2.79 -0.59 1 290 LEU 3.51 -0.70 1 291 GLU 4.27 -1.50 1 292 ALA 6.15 -0.99 1 293 VAL 1.25 2.03 1 294 ASN 3.03 -0.86 1 295 LYS 0.95 0.98 1 296 ASP -3.94 2.30 1 297 LYS -0.97 1.50 1 299 LEU -1.37 0.28 1 301 ALA -5.06 2.47 1 302 VAL 0.26 0.32 1 303 ALA -2.54 1.75 1 304 LEU 5.59 -1.25 1 305 LYS 3.77 -0.65 1 306 SER 1.39 -0.19 1 307 TYR 5.38 -4.00 1 308 GLU 3.54 -0.87 1 309 GLU 1.88 -0.62 1 310 GLU 2.47 -0.44 1 311 LEU 3.60 -2.11 1 312 ALA 3.80 -1.16 1 313 LYS -2.42 0.74 1 314 ASP 3.80 -1.41 1 316 ARG 5.58 -2.05 1 317 ILE 5.18 -1.84 1 318 ALA 3.86 -1.22 1 319 ALA 3.01 -1.32 1 321 MET 4.24 -0.92 1 322 GLU 3.57 0.23 1 323 ASN 3.38 -1.48 1 324 ALA 4.03 -1.34 1 325 GLN 0.12 -0.29 1 326 LYS -5.77 3.04 1 328 GLU 0.83 -0.76 1 329 ILE 1.16 2.11 1 330 MET -1.16 -0.51 1 332 ASN 2.76 -1.90 1 333 ILE 6.86 -3.11 1 335 GLN 3.16 -2.54 1 336 MET 2.67 -0.55 1 338 ALA 4.72 -0.61 1 339 PHE 1.68 0.84 1 340 TRP 3.87 -0.36 1 341 TYR 2.38 -0.02 1 342 ALA 6.92 -2.10 1 343 VAL 5.24 -0.51 1 345 THR 3.50 -0.51 1 346 ALA 7.10 -1.74 1 347 VAL 5.04 -1.10 1 348 ILE 4.56 -1.79 1 349 ASN 2.66 -1.24 1 350 ALA 4.21 -1.19 1 351 ALA 0.04 0.50 1 352 SER 2.46 -0.02 1 355 GLN -1.22 0.76 1 356 THR 7.25 -1.51 1 357 VAL 3.68 -0.22 1 358 ASP 1.92 0.31 1 359 GLU 3.14 -0.79 1 360 ALA 4.79 -2.48 1 361 LEU 4.99 -1.40 1 362 LYS 3.71 -0.70 1 363 ASP 4.15 -1.43 1 364 ALA 6.70 -2.00 1 365 GLN 5.15 -0.78 1 366 THR 3.81 -0.95 1 367 ARG 3.69 0.10 1 368 ILE 0.09 0.59 1 369 THR 3.17 -0.45 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6807_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 1.02 _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 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 61 PHE -4.32 1.76 0 10 TRP -6.40 1.52 1 11 ILE -3.97 0.67 1 12 ASN 0.24 0.03 1 14 ASP 0.24 0.16 1 15 LYS -3.15 0.24 1 17 TYR 3.10 -0.51 1 18 ASN 4.49 -0.09 1 20 LEU 3.62 -0.30 1 21 ALA 4.50 -0.23 1 22 GLU 4.50 -0.17 1 23 VAL 6.34 -0.32 1 25 LYS 4.44 -0.04 1 26 LYS 4.61 -0.13 1 27 PHE 4.23 -0.84 1 28 GLU 2.48 -0.33 1 29 LYS 4.89 -0.30 1 30 ASP 2.54 -0.06 1 31 THR -1.53 0.04 1 33 ILE 0.65 -0.24 1 34 LYS 0.79 -0.31 1 35 VAL -1.49 0.68 1 36 THR -1.60 0.27 1 37 VAL 0.07 0.65 1 38 GLU -5.81 0.28 1 39 HIS -1.59 0.71 1 41 ASP 0.75 -0.17 1 42 LYS 3.91 -0.13 1 43 LEU 6.00 -0.84 1 44 GLU 5.73 -0.45 1 45 GLU -0.23 0.15 1 46 LYS 2.00 -0.10 1 49 GLN 3.25 -0.20 1 50 VAL 0.86 0.25 1 51 ALA 3.88 -0.34 1 52 ALA 1.89 -0.16 1 53 THR -0.84 0.17 1 55 ASP -3.72 0.25 1 58 ASP 1.35 -0.13 1 59 ILE -6.19 1.14 1 60 ILE -6.04 1.24 1 62 TRP -2.25 -0.31 1 63 ALA 1.76 -0.20 1 64 HIS 4.11 -0.94 1 65 ASP 4.25 -0.88 1 66 ARG -0.17 -0.15 1 67 PHE 3.85 -0.48 1 70 TYR 2.21 0.16 1 71 ALA 3.13 0.16 1 72 GLN 4.67 -0.16 1 73 SER 0.59 0.15 1 75 LEU 0.28 -0.10 1 76 LEU -4.01 0.92 1 77 ALA -1.46 0.00 1 78 GLU -0.21 0.08 1 79 ILE -1.99 0.41 1 80 THR -1.40 0.09 1 82 ASP -3.42 0.53 1 83 LYS 4.91 -0.56 1 84 ALA 4.00 -0.16 1 85 PHE 4.93 -0.50 1 86 GLN 5.16 -0.09 1 87 ASP 2.13 0.02 1 88 LYS 3.03 -0.19 1 89 LEU -1.98 0.98 1 90 TYR 2.58 -0.54 1 92 PHE 4.49 0.13 1 94 TRP 1.04 0.00 1 95 ASP 4.26 -0.15 1 96 ALA 2.53 -0.34 1 97 VAL -0.21 0.41 1 98 ARG -2.18 1.02 1 99 TYR -2.79 0.42 1 100 ASN 2.48 -0.47 1 102 LYS -3.42 0.38 1 103 LEU 0.01 0.75 1 104 ILE -1.94 0.77 1 105 ALA -3.32 0.32 1 106 TYR -1.68 0.02 1 108 ILE 0.70 0.24 1 109 ALA -5.96 0.91 1 110 VAL -1.67 0.41 1 111 GLU -5.07 0.15 1 112 ALA -4.62 0.78 1 113 LEU -1.00 -0.41 1 114 SER -4.62 0.37 1 115 LEU -2.07 0.20 1 117 TYR -6.87 1.61 1 118 ASN 0.18 -0.12 1 119 LYS 3.18 -0.18 1 120 ASP 2.84 -0.05 1 121 LEU -1.66 0.08 1 122 LEU -3.86 0.10 1 124 ASN -0.59 -0.49 1 127 LYS -0.04 -0.13 1 128 THR -3.81 0.81 1 129 TRP 4.47 -0.54 1 130 GLU 7.00 -0.16 1 131 GLU -0.85 0.09 1 132 ILE 3.96 -0.22 1 134 ALA 2.59 -0.07 1 135 LEU 3.89 -0.23 1 136 ASP 5.16 -0.20 1 137 LYS 3.06 -0.17 1 138 GLU 4.83 -0.29 1 139 LEU 3.74 0.25 1 140 LYS 3.26 0.04 1 141 ALA -0.62 0.33 1 142 LYS -4.94 0.70 1 144 LYS -4.30 0.56 1 145 SER 4.45 -0.03 1 146 ALA -3.98 0.78 1 147 LEU -4.68 0.53 1 148 MET -3.91 0.27 1 149 PHE 1.98 -0.93 1 150 ASN -0.26 -0.25 1 151 LEU 0.82 -0.22 1 152 GLN -6.85 0.62 1 153 GLU 3.18 -0.02 1 155 TYR 0.95 -0.10 1 156 PHE 1.56 0.14 1 157 THR 0.89 -0.58 1 160 LEU 5.82 -1.17 1 161 ILE 0.54 -0.78 1 162 ALA 3.25 -0.25 1 163 ALA -2.15 0.38 1 164 ASP -0.64 0.92 1 167 TYR 3.31 -0.07 1 168 ALA -5.01 0.95 1 169 PHE 1.38 -0.28 1 170 LYS -2.66 0.31 1 171 TYR 2.62 -0.50 1 173 ASN -4.07 0.35 1 175 LYS -0.12 0.79 1 176 TYR -1.61 0.26 1 177 ASP 4.27 0.09 1 178 ILE -0.66 0.32 1 179 LYS -0.78 0.29 1 180 ASP -4.94 0.92 1 181 VAL 1.38 -0.01 1 183 VAL -1.39 0.19 1 184 ASP -1.89 -0.09 1 185 ASN 3.91 -0.33 1 186 ALA 2.21 0.43 1 188 ALA 4.62 -0.59 1 189 LYS 4.51 -0.05 1 190 ALA 4.29 -0.14 1 192 LEU 5.07 -0.36 1 194 PHE 4.64 -0.52 1 195 LEU 7.19 -0.60 1 196 VAL 5.06 -0.10 1 197 ASP 3.63 -0.13 1 198 LEU 2.52 0.17 1 199 ILE 4.49 -0.24 1 200 LYS 0.53 -0.02 1 201 ASN 7.09 -0.36 1 202 LYS 2.70 0.11 1 203 HIS -5.42 0.21 1 204 MET 3.04 -0.45 1 206 ALA 0.69 -0.15 1 207 ASP 5.62 -0.77 1 208 THR -3.40 0.67 1 209 ASP 5.29 -1.00 1 210 TYR 4.55 -0.07 1 211 SER 3.98 -0.35 1 212 ILE 4.83 -0.31 1 213 ALA 3.40 -0.16 1 215 ALA 1.77 -0.21 1 216 ALA 6.81 -0.56 1 217 PHE -0.06 0.06 1 219 LYS 0.28 -0.08 1 221 GLU -4.62 0.96 1 222 THR 0.86 -0.02 1 223 ALA -2.71 0.83 1 226 ILE -4.58 0.48 1 227 ASN -5.93 1.32 1 242 TYR -2.29 0.89 1 244 VAL -4.62 0.60 1 245 THR 2.88 -0.36 1 246 VAL -2.46 0.50 1 249 THR -3.15 0.68 1 250 PHE -2.70 0.18 1 253 GLN 2.80 -0.07 1 255 SER -2.03 0.38 1 256 LYS 0.21 1.09 1 258 PHE -1.31 0.69 1 259 VAL -1.67 1.16 1 261 VAL 2.76 -0.25 1 262 LEU -1.90 0.88 1 263 SER -4.43 0.81 1 264 ALA 0.48 -0.20 1 267 ASN 4.09 -0.49 1 268 ALA -0.55 0.06 1 269 ALA -1.24 -0.28 1 270 SER -1.91 0.68 1 272 ASN 6.78 -0.56 1 273 LYS 5.00 -0.18 1 274 GLU 2.45 -0.01 1 275 LEU 4.07 -0.47 1 276 ALA 4.54 -0.55 1 277 LYS 3.72 -0.29 1 278 GLU 5.04 -0.95 1 279 PHE 4.77 -0.73 1 280 LEU 4.02 -0.59 1 281 GLU -0.26 0.15 1 282 ASN 2.67 -0.20 1 283 TYR 4.33 -0.27 1 284 LEU 3.17 0.11 1 285 LEU -6.74 0.15 1 286 THR 5.73 -0.86 1 287 ASP 3.39 -0.43 1 288 GLU 2.79 -0.26 1 290 LEU 3.51 -0.10 1 291 GLU 4.27 -0.30 1 292 ALA 6.15 -0.53 1 293 VAL 1.25 -0.05 1 294 ASN 3.03 -0.29 1 295 LYS 0.95 -0.05 1 296 ASP -3.94 0.16 1 297 LYS -0.97 -0.21 1 299 LEU -1.37 0.61 1 301 ALA -5.06 1.07 1 302 VAL 0.26 -0.29 1 303 ALA -2.54 -0.07 1 304 LEU 5.59 -0.55 1 305 LYS 3.77 -0.42 1 306 SER 1.39 0.33 1 307 TYR 5.38 -0.16 1 308 GLU 3.54 -0.35 1 309 GLU 1.88 -0.10 1 310 GLU 2.47 -0.33 1 311 LEU 3.60 -0.35 1 312 ALA 3.80 -0.27 1 313 LYS -2.42 0.06 1 314 ASP 3.80 -0.53 1 316 ARG 5.58 -0.40 1 317 ILE 5.18 -0.25 1 318 ALA 3.86 -0.17 1 319 ALA 3.01 -0.21 1 321 MET 4.24 -0.37 1 322 GLU 3.57 -0.31 1 323 ASN 3.38 -0.52 1 324 ALA 4.03 -0.82 1 325 GLN 0.12 0.07 1 326 LYS -5.77 0.47 1 328 GLU 0.83 0.02 1 329 ILE 1.16 -0.43 1 330 MET -1.16 0.21 1 332 ASN 2.76 0.23 1 333 ILE 6.86 -0.03 1 335 GLN 3.16 0.03 1 336 MET 2.67 0.13 1 338 ALA 4.72 -0.67 1 339 PHE 1.68 -0.06 1 340 TRP 3.87 -0.25 1 341 TYR 2.38 -0.29 1 342 ALA 6.92 -0.67 1 343 VAL 5.24 -0.56 1 345 THR 3.50 -0.10 1 346 ALA 7.10 -0.59 1 347 VAL 5.04 -0.34 1 348 ILE 4.56 -0.33 1 349 ASN 2.66 0.41 1 350 ALA 4.21 -0.29 1 351 ALA 0.04 -0.06 1 352 SER 2.46 -0.20 1 354 ARG -8.58 0.40 1 355 GLN -1.22 0.01 1 356 THR 7.25 -0.74 1 357 VAL 3.68 -0.52 1 358 ASP 1.92 -0.46 1 359 GLU 3.14 -0.27 1 360 ALA 4.79 -0.29 1 361 LEU 4.99 -0.20 1 362 LYS 3.71 -0.23 1 363 ASP 4.15 -0.19 1 364 ALA 6.70 -0.74 1 365 GLN 5.15 -0.43 1 366 THR 3.81 -0.20 1 367 ARG 3.69 -0.40 1 368 ILE 0.09 0.18 1 369 THR 3.17 -0.14 1 stop_ save_