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 bmr17471_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.62 _LACS_plot.Line_1_terminator_val_y_1 -4.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.20 _LACS_plot.Line_2_terminator_val_x_2 8.87 _LACS_plot.Line_2_terminator_val_y_2 6.13 _LACS_plot.Y_axis_chem_shift_offset 0.67 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 THR 1.00 -5.86 0 151 HIS 1.05 7.47 0 10 THR 1.78 0.86 1 11 PHE -2.72 -1.15 1 12 TYR -3.71 -2.36 1 13 ARG -3.92 -1.91 1 14 GLN -4.18 -1.21 1 15 GLU -1.30 -1.49 1 16 LEU -2.63 -1.54 1 17 ASN 2.74 0.56 1 18 LYS 5.37 1.16 1 19 THR -1.77 -0.85 1 20 ILE 1.52 -1.36 1 21 TRP 0.08 -0.97 1 22 GLU -2.67 -2.05 1 23 VAL -4.50 -3.91 1 25 GLU 2.51 1.56 1 26 ARG 2.57 1.38 1 27 TYR 0.82 -0.97 1 28 GLN -5.54 -2.44 1 29 ASN 2.75 0.11 1 30 LEU 3.32 1.48 1 31 SER -3.04 -2.17 1 33 VAL -0.74 -0.53 1 35 SER -1.28 -0.70 1 37 ALA 2.60 1.06 1 38 TYR 0.46 -1.13 1 40 SER -1.67 -0.73 1 41 VAL -2.54 -1.23 1 43 ALA -2.95 -2.24 1 44 ALA -5.47 -2.24 1 45 PHE -1.71 -0.96 1 46 ASP -2.24 -2.65 1 47 THR 2.70 1.58 1 48 LYS 3.44 2.02 1 49 THR -1.10 -0.45 1 51 LEU -2.49 -1.81 1 52 ARG 0.96 -0.44 1 53 VAL -4.63 -3.18 1 54 ALA -3.27 -2.83 1 55 VAL -0.83 -1.98 1 56 LYS -3.52 -2.48 1 57 LYS -2.03 -2.22 1 58 LEU 2.98 -0.23 1 59 SER -0.32 -1.52 1 60 ARG 3.26 1.67 1 62 PHE -1.23 -3.55 1 63 GLN 2.20 1.48 1 64 SER -4.30 -2.15 1 65 ILE 6.09 4.16 1 66 ILE 4.77 2.71 1 67 HIS 5.04 5.49 1 68 ALA 2.85 2.26 1 69 LYS 4.64 2.95 1 70 ARG 5.08 2.81 1 71 THR 6.77 4.45 1 72 TYR 5.63 4.30 1 81 MET -0.50 -0.21 1 82 LYS -0.73 -2.08 1 83 HIS -1.68 1.96 1 84 GLU 3.12 2.58 1 85 ASN -1.47 0.14 1 86 VAL -3.24 -1.07 1 87 ILE 0.95 0.03 1 89 LEU -0.74 -0.87 1 90 LEU 0.56 0.33 1 91 ASP -2.20 -1.58 1 92 VAL -2.65 -3.05 1 93 PHE -3.50 -2.14 1 94 THR -4.72 -2.84 1 96 ALA -0.87 -0.09 1 97 ARG 0.78 -0.41 1 98 SER -3.42 -2.09 1 99 LEU 3.60 1.48 1 100 GLU 4.22 2.39 1 101 GLU -2.34 -2.13 1 102 PHE 0.48 -1.16 1 103 ASN -2.00 0.68 1 104 ASP -4.07 -1.34 1 105 VAL -2.71 -0.99 1 106 TYR -3.69 -3.31 1 107 LEU -3.16 -2.00 1 108 VAL -0.53 -1.68 1 109 THR -5.69 -2.65 1 110 HIS 1.51 3.54 1 111 LEU 0.04 -0.98 1 112 MET 1.01 -0.45 1 114 ALA -2.59 -1.49 1 115 ASP -2.92 -2.17 1 116 LEU 2.91 1.75 1 117 ASN 3.81 2.46 1 118 ASN 2.71 2.87 1 119 ILE 4.36 1.75 1 120 VAL 4.15 1.91 1 121 LYS 2.51 1.16 1 123 GLN -1.86 -1.15 1 124 LYS 0.78 -1.39 1 125 LEU -0.31 -1.06 1 126 THR -2.76 -1.63 1 127 ASP 2.82 3.85 1 128 ASP 4.05 2.76 1 129 HIS 2.32 4.53 1 130 VAL 8.88 5.82 1 131 GLN 3.31 3.27 1 132 PHE 1.04 0.43 1 133 LEU 3.88 3.06 1 135 TYR -6.83 -6.51 1 136 GLN -0.80 -4.31 1 141 LEU 3.32 1.27 1 142 LYS 4.94 3.25 1 143 TYR 4.98 3.53 1 144 ILE 6.54 5.21 1 145 HIS 0.67 1.85 1 146 SER 4.56 2.62 1 147 ALA 0.35 -1.49 1 148 ASP 3.58 0.99 1 149 ILE -1.75 -2.13 1 150 ILE -2.34 -1.41 1 157 SER 2.69 1.01 1 158 ASN 0.32 -0.75 1 159 LEU -2.19 -2.53 1 160 ALA -3.94 -2.21 1 161 VAL -5.21 -3.15 1 162 ASN -3.33 -2.97 1 163 GLU 3.92 2.16 1 164 ASP 0.32 -0.22 1 166 GLU 0.84 -0.79 1 167 LEU -4.75 -1.81 1 169 ILE 0.91 1.02 1 170 LEU -1.71 -0.95 1 174 LEU 1.26 -0.66 1 175 ALA 8.25 7.16 1 176 ARG -7.09 -0.73 1 177 HIS 6.06 4.34 1 179 ASP 1.27 0.45 1 180 ASP 1.00 0.35 1 181 GLU 0.88 0.14 1 182 MET 1.46 0.11 1 183 THR 1.13 0.35 1 185 TYR 0.82 -0.17 1 186 VAL 1.22 -0.26 1 191 TYR -0.26 -1.16 1 192 ARG -0.47 -0.57 1 193 ALA -0.51 -2.83 1 197 MET 3.06 3.89 1 198 LEU 3.77 2.61 1 199 ASN -1.14 0.24 1 200 TRP -1.40 -3.27 1 201 MET 2.31 6.40 1 202 HIS 0.88 4.26 1 203 TYR -7.94 -5.36 1 204 ASN 0.52 3.00 1 205 GLN 2.80 1.55 1 206 THR 2.64 -2.83 1 209 ILE 4.17 -0.42 1 210 TRP 5.22 3.55 1 211 SER 4.74 3.69 1 212 VAL 8.46 5.01 1 215 ILE 5.48 4.37 1 216 MET 6.61 4.64 1 217 ALA 2.20 2.64 1 218 GLU 1.90 1.16 1 219 LEU 2.02 1.75 1 220 LEU 4.19 1.67 1 221 THR -1.40 0.00 1 223 ARG -3.55 -2.39 1 224 THR 2.67 1.34 1 225 LEU 0.64 -0.43 1 229 THR 2.64 1.48 1 230 ASP 4.82 3.45 1 231 HIS 3.24 2.15 1 239 LEU 1.88 2.94 1 240 ARG 4.25 2.13 1 241 LEU -9.62 -2.24 1 242 VAL 5.43 -0.25 1 244 THR 3.62 2.53 1 247 ALA 4.15 2.18 1 248 GLU 3.35 1.30 1 249 LEU 3.58 2.49 1 250 LEU -3.83 -0.60 1 251 LYS -6.40 -0.66 1 252 LYS 4.58 2.23 1 257 SER 3.08 1.89 1 258 ALA 0.40 -0.84 1 259 ARG 3.23 2.03 1 263 GLN 0.93 0.55 1 264 SER -0.04 -1.06 1 265 LEU -0.16 1.56 1 266 THR 2.30 0.56 1 267 GLN 1.27 0.20 1 270 LYS 0.54 0.14 1 271 MET 0.81 -0.67 1 272 ASN 4.65 1.72 1 273 PHE 3.87 1.78 1 274 ALA 1.10 0.22 1 275 ASN 2.43 1.69 1 276 VAL 1.38 -2.03 1 277 PHE 3.20 0.86 1 278 ILE -1.59 -1.72 1 280 ALA -0.22 -0.34 1 281 ASN 2.35 1.67 1 283 LEU 3.04 1.09 1 284 ALA 6.69 4.18 1 285 VAL 1.75 3.33 1 286 ASP 5.69 2.28 1 287 LEU 5.24 3.38 1 288 LEU 3.29 1.75 1 289 GLU 1.87 0.73 1 290 LYS 1.66 2.87 1 291 MET 8.36 4.11 1 292 LEU 4.26 2.65 1 296 SER 2.75 1.87 1 297 ASP -1.42 -1.68 1 298 LYS 2.21 0.95 1 299 ARG 0.65 0.84 1 300 ILE -2.79 -1.87 1 301 THR 6.62 3.44 1 302 ALA 3.91 2.37 1 303 ALA 3.59 2.05 1 304 GLN 2.80 2.21 1 305 ALA 3.63 2.26 1 306 LEU -0.87 -1.89 1 307 ALA 0.32 3.48 1 308 HIS 3.32 2.37 1 309 ALA 2.78 2.06 1 310 TYR -0.37 -1.87 1 311 PHE 4.06 3.06 1 312 ALA 3.14 1.26 1 313 GLN -0.06 0.27 1 314 TYR 0.90 0.72 1 315 HIS -1.79 -1.59 1 316 ASP 1.85 0.76 1 318 ASP -2.30 -1.82 1 319 ASP -0.65 -0.94 1 320 GLU -3.21 -2.99 1 322 VAL -2.19 -1.91 1 323 ALA 0.69 -1.42 1 324 ASP -0.09 -0.16 1 327 ASP -2.04 0.24 1 328 GLN 4.34 1.62 1 331 GLU 0.30 -0.54 1 332 SER 0.34 -0.17 1 333 ARG -0.32 -1.07 1 334 ASP -1.36 -2.59 1 335 LEU -0.34 -1.38 1 336 LEU 6.80 5.35 1 337 ILE 4.48 2.70 1 338 ASP 2.51 1.72 1 339 GLU 1.59 2.24 1 340 TRP 5.50 3.81 1 341 LYS 4.41 2.60 1 342 SER 3.35 2.34 1 343 LEU 5.21 3.74 1 345 TYR 4.30 2.73 1 346 ASP 2.10 1.09 1 347 GLU 5.78 3.54 1 348 VAL 4.52 1.77 1 349 ILE 0.06 -0.46 1 350 SER 3.01 2.47 1 351 PHE 0.79 1.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17471_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.62 _LACS_plot.Line_1_terminator_val_y_1 5.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.20 _LACS_plot.Line_2_terminator_val_x_2 8.87 _LACS_plot.Line_2_terminator_val_y_2 -2.74 _LACS_plot.Y_axis_chem_shift_offset 0.67 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 THR 1.00 -6.86 0 151 HIS 1.05 6.42 0 10 THR 1.78 -0.92 1 11 PHE -2.72 1.57 1 12 TYR -3.71 1.35 1 13 ARG -3.92 2.01 1 14 GLN -4.18 2.97 1 15 GLU -1.30 -0.19 1 16 LEU -2.63 1.09 1 17 ASN 2.74 -2.18 1 18 LYS 5.37 -4.21 1 19 THR -1.77 0.92 1 20 ILE 1.52 -2.88 1 21 TRP 0.08 -1.05 1 22 GLU -2.67 0.62 1 23 VAL -4.50 0.59 1 25 GLU 2.51 -0.95 1 26 ARG 2.57 -1.19 1 27 TYR 0.82 -1.79 1 28 GLN -5.54 3.10 1 29 ASN 2.75 -2.64 1 30 LEU 3.32 -1.84 1 31 SER -3.04 0.87 1 33 VAL -0.74 0.21 1 35 SER -1.28 0.58 1 37 ALA 2.60 -1.54 1 38 TYR 0.46 -1.59 1 40 SER -1.67 0.94 1 41 VAL -2.54 1.31 1 43 ALA -2.95 0.71 1 44 ALA -5.47 3.23 1 45 PHE -1.71 0.75 1 46 ASP -2.24 -0.41 1 47 THR 2.70 -1.12 1 48 LYS 3.44 -1.42 1 49 THR -1.10 0.65 1 51 LEU -2.49 0.68 1 52 ARG 0.96 -1.40 1 53 VAL -4.63 1.45 1 54 ALA -3.27 0.44 1 55 VAL -0.83 -1.15 1 56 LYS -3.52 1.04 1 57 LYS -2.03 -0.19 1 58 LEU 2.98 -3.21 1 59 SER -0.32 -1.20 1 60 ARG 3.26 -1.59 1 62 PHE -1.23 -2.32 1 63 GLN 2.20 -0.72 1 64 SER -4.30 2.15 1 65 ILE 6.09 -1.93 1 66 ILE 4.77 -2.06 1 67 HIS 5.04 0.45 1 68 ALA 2.85 -0.59 1 69 LYS 4.64 -1.69 1 70 ARG 5.08 -2.27 1 71 THR 6.77 -2.32 1 72 TYR 5.63 -1.33 1 81 MET -0.50 0.29 1 82 LYS -0.73 -1.35 1 83 HIS -1.68 3.64 1 84 GLU 3.12 -0.54 1 85 ASN -1.47 1.61 1 86 VAL -3.24 2.17 1 87 ILE 0.95 -0.92 1 89 LEU -0.74 -0.13 1 90 LEU 0.56 -0.23 1 91 ASP -2.20 0.62 1 92 VAL -2.65 -0.40 1 93 PHE -3.50 1.36 1 94 THR -4.72 1.88 1 96 ALA -0.87 0.78 1 97 ARG 0.78 -1.19 1 98 SER -3.42 1.33 1 99 LEU 3.60 -2.12 1 100 GLU 4.22 -1.83 1 101 GLU -2.34 0.21 1 102 PHE 0.48 -1.64 1 103 ASN -2.00 2.68 1 104 ASP -4.07 2.73 1 105 VAL -2.71 1.72 1 106 TYR -3.69 0.38 1 107 LEU -3.16 1.16 1 108 VAL -0.53 -1.15 1 109 THR -5.69 3.04 1 110 HIS 1.51 2.03 1 111 LEU 0.04 -1.02 1 112 MET 1.01 -1.46 1 114 ALA -2.59 1.10 1 115 ASP -2.92 0.75 1 116 LEU 2.91 -1.16 1 117 ASN 3.81 -1.35 1 118 ASN 2.71 0.16 1 119 ILE 4.36 -2.61 1 120 VAL 4.15 -2.24 1 121 LYS 2.51 -1.35 1 123 GLN -1.86 0.71 1 124 LYS 0.78 -2.17 1 125 LEU -0.31 -0.75 1 126 THR -2.76 1.13 1 127 ASP 2.82 1.03 1 128 ASP 4.05 -1.29 1 129 HIS 2.32 2.21 1 130 VAL 8.88 -3.06 1 131 GLN 3.31 -0.04 1 132 PHE 1.04 -0.61 1 133 LEU 3.88 -0.82 1 135 TYR -6.83 0.32 1 136 GLN -0.80 -3.51 1 141 LEU 3.32 -2.05 1 142 LYS 4.94 -1.69 1 143 TYR 4.98 -1.45 1 144 ILE 6.54 -1.33 1 145 HIS 0.67 1.18 1 146 SER 4.56 -1.94 1 147 ALA 0.35 -1.84 1 148 ASP 3.58 -2.59 1 149 ILE -1.75 -0.38 1 150 ILE -2.34 0.93 1 157 SER 2.69 -1.68 1 158 ASN 0.32 -1.07 1 159 LEU -2.19 -0.34 1 160 ALA -3.94 1.73 1 161 VAL -5.21 2.06 1 162 ASN -3.33 0.36 1 163 GLU 3.92 -1.76 1 164 ASP 0.32 -0.54 1 166 GLU 0.84 -1.63 1 167 LEU -4.75 2.94 1 169 ILE 0.91 0.11 1 170 LEU -1.71 0.76 1 174 LEU 1.26 -1.92 1 175 ALA 8.25 -1.09 1 176 ARG -7.09 6.36 1 177 HIS 6.06 -1.72 1 179 ASP 1.27 -0.82 1 180 ASP 1.00 -0.65 1 181 GLU 0.88 -0.74 1 182 MET 1.46 -1.35 1 183 THR 1.13 -0.78 1 185 TYR 0.82 -0.99 1 186 VAL 1.22 -1.48 1 191 TYR -0.26 -0.90 1 192 ARG -0.47 -0.10 1 193 ALA -0.51 -2.32 1 197 MET 3.06 0.83 1 198 LEU 3.77 -1.16 1 199 ASN -1.14 1.38 1 200 TRP -1.40 -1.87 1 201 MET 2.31 4.09 1 202 HIS 0.88 3.38 1 203 TYR -7.94 2.58 1 204 ASN 0.52 2.48 1 205 GLN 2.80 -1.25 1 206 THR 2.64 -5.47 1 209 ILE 4.17 -4.59 1 210 TRP 5.22 -1.67 1 211 SER 4.74 -1.05 1 212 VAL 8.46 -3.45 1 215 ILE 5.48 -1.11 1 216 MET 6.61 -1.97 1 217 ALA 2.20 0.44 1 218 GLU 1.90 -0.74 1 219 LEU 2.02 -0.27 1 220 LEU 4.19 -2.52 1 221 THR -1.40 1.40 1 223 ARG -3.55 1.16 1 224 THR 2.67 -1.33 1 225 LEU 0.64 -1.07 1 229 THR 2.64 -1.16 1 230 ASP 4.82 -1.37 1 231 HIS 3.24 -1.09 1 239 LEU 1.88 1.06 1 240 ARG 4.25 -2.12 1 241 LEU -9.62 7.38 1 242 VAL 5.43 -5.68 1 244 THR 3.62 -1.09 1 247 ALA 4.15 -1.97 1 248 GLU 3.35 -2.05 1 249 LEU 3.58 -1.09 1 250 LEU -3.83 3.23 1 251 LYS -6.40 5.74 1 252 LYS 4.58 -2.35 1 257 SER 3.08 -1.19 1 258 ALA 0.40 -1.24 1 259 ARG 3.23 -1.20 1 263 GLN 0.93 -0.38 1 264 SER -0.04 -1.02 1 265 LEU -0.16 1.72 1 266 THR 2.30 -1.74 1 267 GLN 1.27 -1.07 1 270 LYS 0.54 -0.40 1 271 MET 0.81 -1.48 1 272 ASN 4.65 -2.93 1 273 PHE 3.87 -2.09 1 274 ALA 1.10 -0.88 1 275 ASN 2.43 -0.74 1 276 VAL 1.38 -3.41 1 277 PHE 3.20 -2.34 1 278 ILE -1.59 -0.13 1 280 ALA -0.22 -0.12 1 281 ASN 2.35 -0.68 1 283 LEU 3.04 -1.95 1 284 ALA 6.69 -2.51 1 285 VAL 1.75 1.58 1 286 ASP 5.69 -3.41 1 287 LEU 5.24 -1.86 1 288 LEU 3.29 -1.54 1 289 GLU 1.87 -1.14 1 290 LYS 1.66 1.21 1 291 MET 8.36 -4.25 1 292 LEU 4.26 -1.61 1 296 SER 2.75 -0.88 1 297 ASP -1.42 -0.26 1 298 LYS 2.21 -1.26 1 299 ARG 0.65 0.19 1 300 ILE -2.79 0.92 1 301 THR 6.62 -3.18 1 302 ALA 3.91 -1.54 1 303 ALA 3.59 -1.54 1 304 GLN 2.80 -0.59 1 305 ALA 3.63 -1.37 1 306 LEU -0.87 -1.02 1 307 ALA 0.32 3.16 1 308 HIS 3.32 -0.95 1 309 ALA 2.78 -0.72 1 310 TYR -0.37 -1.50 1 311 PHE 4.06 -1.00 1 312 ALA 3.14 -1.88 1 313 GLN -0.06 0.33 1 314 TYR 0.90 -0.18 1 315 HIS -1.79 0.20 1 316 ASP 1.85 -1.09 1 318 ASP -2.30 0.48 1 319 ASP -0.65 -0.29 1 320 GLU -3.21 0.22 1 322 VAL -2.19 0.28 1 323 ALA 0.69 -2.11 1 324 ASP -0.09 -0.07 1 327 ASP -2.04 2.28 1 328 GLN 4.34 -2.72 1 331 GLU 0.30 -0.84 1 332 SER 0.34 -0.51 1 333 ARG -0.32 -0.75 1 334 ASP -1.36 -1.23 1 335 LEU -0.34 -1.04 1 336 LEU 6.80 -1.45 1 337 ILE 4.48 -1.78 1 338 ASP 2.51 -0.79 1 339 GLU 1.59 0.65 1 340 TRP 5.50 -1.69 1 341 LYS 4.41 -1.81 1 342 SER 3.35 -1.01 1 343 LEU 5.21 -1.47 1 345 TYR 4.30 -1.57 1 346 ASP 2.10 -1.01 1 347 GLU 5.78 -2.24 1 348 VAL 4.52 -2.75 1 349 ILE 0.06 -0.52 1 350 SER 3.01 -0.54 1 351 PHE 0.79 0.24 1 stop_ save_