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 bmr27274_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 -3.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.13 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 6.17 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 176 ARG -7.21 -0.74 0 10 THR 1.87 0.88 1 11 PHE -2.97 -1.19 1 12 TYR -3.89 -2.43 1 13 ARG -3.88 -1.95 1 14 GLN -4.44 -1.37 1 15 GLU -1.54 -1.68 1 16 LEU -2.93 -1.59 1 17 ASN 3.01 0.79 1 18 LYS 5.23 0.95 1 19 THR -1.75 -0.90 1 20 ILE 1.45 -1.40 1 21 TRP 0.02 -1.10 1 22 GLU -2.86 -2.21 1 23 VAL -5.02 -4.07 1 25 GLU 2.35 1.52 1 26 ARG 2.65 1.36 1 27 TYR 0.54 -1.07 1 28 GLN -5.53 -2.55 1 29 ASN 2.77 0.04 1 30 LEU 3.10 1.47 1 31 SER -3.15 -2.28 1 33 VAL -1.10 -0.59 1 35 SER -1.15 -0.75 1 37 ALA 2.27 0.98 1 38 TYR 0.32 -1.32 1 41 VAL -2.24 -1.21 1 43 ALA -3.10 -2.32 1 44 ALA -5.45 -2.34 1 45 PHE -1.86 -0.93 1 46 ASP -2.40 -2.78 1 47 THR 2.89 1.58 1 48 LYS 3.12 2.00 1 49 THR -1.15 -0.51 1 51 LEU -2.62 -1.96 1 52 ARG 0.95 -0.47 1 53 VAL -4.90 -3.17 1 54 ALA -2.86 -2.84 1 56 LYS -3.73 -2.62 1 57 LYS -2.56 -2.32 1 58 LEU 2.62 -0.48 1 59 SER -0.44 -1.57 1 60 ARG 3.31 1.70 1 62 PHE -1.55 -3.75 1 63 GLN 1.96 1.39 1 64 SER -4.42 -2.27 1 65 ILE 5.68 4.13 1 66 ILE 4.41 2.70 1 68 ALA 2.81 2.20 1 69 LYS 4.65 2.90 1 70 ARG 4.92 2.73 1 72 TYR 6.20 4.35 1 81 MET -0.21 -0.20 1 82 LYS -0.97 -2.10 1 83 HIS -2.01 1.65 1 84 GLU 2.78 2.50 1 85 ASN -1.87 0.03 1 86 VAL -3.45 -1.15 1 90 LEU 0.37 0.14 1 91 ASP -2.13 -1.70 1 92 VAL -3.04 -3.11 1 93 PHE -3.73 -2.24 1 94 THR -4.79 -2.88 1 96 ALA -1.03 -0.17 1 97 ARG 0.96 -0.46 1 98 SER -3.37 -2.14 1 99 LEU 3.43 1.44 1 100 GLU 4.25 2.38 1 101 GLU -2.53 -2.18 1 102 PHE 0.41 -1.23 1 103 ASN -1.91 0.65 1 104 ASP -4.24 -1.35 1 105 VAL -3.24 -1.05 1 106 TYR -3.64 -3.25 1 107 LEU -3.34 -2.15 1 109 THR -5.63 -2.71 1 110 HIS 1.30 3.46 1 111 LEU -0.28 -1.19 1 112 MET 0.48 -1.03 1 114 ALA -3.57 -1.57 1 115 ASP -3.32 -2.29 1 117 ASN 3.49 2.30 1 120 VAL 3.70 1.81 1 121 LYS 2.68 1.08 1 123 GLN -2.10 -1.17 1 124 LYS 0.53 -1.50 1 125 LEU -0.23 -1.29 1 126 THR -3.05 -1.10 1 127 ASP 2.58 3.80 1 128 ASP 3.92 3.08 1 130 VAL 8.99 5.95 1 131 GLN 2.93 3.23 1 132 PHE 0.79 0.17 1 133 LEU 3.87 3.00 1 135 TYR -7.09 -6.56 1 139 ARG 5.68 3.95 1 141 LEU 2.95 1.23 1 142 LYS 4.72 3.17 1 143 TYR 4.56 3.40 1 145 HIS 0.56 1.90 1 146 SER 4.27 2.52 1 147 ALA 0.38 -1.52 1 148 ASP 3.60 0.98 1 149 ILE -1.89 -2.25 1 160 ALA -4.51 -2.29 1 161 VAL -6.38 -3.50 1 162 ASN -4.22 -3.16 1 163 GLU 3.22 1.92 1 164 ASP -0.14 -0.62 1 166 GLU 0.73 -1.09 1 167 LEU -5.10 -2.21 1 168 LYS -5.63 -1.27 1 169 ILE 1.05 1.01 1 180 ASP 0.51 0.17 1 181 GLU 0.82 0.17 1 192 ARG -0.64 -0.61 1 198 LEU 3.74 2.56 1 199 ASN -1.14 0.17 1 200 TRP -1.42 -3.22 1 202 HIS 0.46 4.11 1 204 ASN 1.22 3.38 1 209 ILE 3.99 -0.51 1 210 TRP 5.32 3.52 1 211 SER 4.37 3.61 1 212 VAL 7.96 4.96 1 215 ILE 5.73 4.34 1 216 MET 6.94 4.72 1 217 ALA 1.55 2.44 1 218 GLU 1.94 1.25 1 219 LEU 2.34 1.92 1 220 LEU 4.03 1.56 1 221 THR -1.26 -0.06 1 223 ARG -3.42 -2.43 1 224 THR 3.03 1.51 1 225 LEU 0.42 -0.44 1 231 HIS 3.43 2.41 1 239 LEU 2.08 2.91 1 240 ARG 4.07 2.09 1 241 LEU 3.34 2.31 1 247 ALA 4.13 2.09 1 248 GLU 3.40 1.35 1 249 LEU 3.61 2.35 1 250 LEU 2.72 1.84 1 258 ALA 0.05 -1.05 1 259 ARG 3.16 1.98 1 263 GLN 1.18 0.67 1 264 SER 1.21 0.13 1 270 LYS 0.58 0.18 1 271 MET 1.05 -0.60 1 272 ASN 4.53 1.81 1 273 PHE 4.21 1.72 1 274 ALA 0.96 0.21 1 275 ASN 2.35 1.75 1 276 VAL 1.11 -2.12 1 277 PHE 3.19 0.81 1 278 ILE -1.47 -1.75 1 280 ALA -0.34 -0.54 1 281 ASN 2.11 1.58 1 283 LEU 3.22 1.08 1 284 ALA 6.55 4.16 1 285 VAL 1.39 3.14 1 286 ASP 5.56 2.15 1 287 LEU 4.92 3.34 1 288 LEU 3.41 1.59 1 289 GLU 1.79 0.63 1 290 LYS 1.51 2.77 1 291 MET 8.19 3.96 1 292 LEU 2.74 1.88 1 297 ASP -1.13 -1.81 1 298 LYS 2.32 1.03 1 299 ARG 0.41 0.88 1 300 ILE -2.82 -1.91 1 301 THR 6.46 3.36 1 302 ALA 3.89 2.33 1 303 ALA 3.36 1.98 1 304 GLN 2.70 2.10 1 305 ALA 3.63 2.23 1 306 LEU -0.91 -1.85 1 307 ALA 0.23 3.40 1 308 HIS 3.15 2.42 1 309 ALA 2.45 1.89 1 310 TYR -0.78 -2.16 1 311 PHE 3.96 2.99 1 312 ALA 2.98 1.15 1 313 GLN -0.81 0.33 1 314 TYR 0.72 0.57 1 315 HIS -2.29 -1.70 1 316 ASP 1.56 0.70 1 318 ASP -2.70 -2.02 1 319 ASP -0.57 -0.95 1 320 GLU -3.40 -2.95 1 322 VAL -2.26 -1.98 1 323 ALA 0.76 -1.54 1 324 ASP -0.32 -0.32 1 327 ASP 0.49 -0.53 1 332 SER 0.47 -0.13 1 333 ARG -0.51 -1.16 1 334 ASP -1.42 -2.68 1 335 LEU -0.37 -1.45 1 336 LEU 6.77 5.46 1 337 ILE 4.23 2.66 1 338 ASP 2.18 1.49 1 339 GLU 2.00 2.28 1 340 TRP 5.53 3.79 1 341 LYS 4.48 2.56 1 342 SER 3.40 2.18 1 343 LEU 5.27 3.75 1 345 TYR 4.00 2.64 1 346 ASP 1.97 0.91 1 347 GLU 5.26 3.55 1 348 VAL 4.35 1.77 1 349 ILE 0.11 -0.54 1 350 SER 2.90 2.53 1 351 PHE 0.20 0.94 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27274_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 3.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.13 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 -2.82 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 176 ARG -7.21 6.47 0 10 THR 1.87 -0.99 1 11 PHE -2.97 1.78 1 12 TYR -3.89 1.46 1 13 ARG -3.88 1.93 1 14 GLN -4.44 3.07 1 15 GLU -1.54 -0.14 1 16 LEU -2.93 1.34 1 17 ASN 3.01 -2.22 1 18 LYS 5.23 -4.28 1 19 THR -1.75 0.85 1 20 ILE 1.45 -2.85 1 21 TRP 0.02 -1.12 1 22 GLU -2.86 0.65 1 23 VAL -5.02 0.95 1 25 GLU 2.35 -0.83 1 26 ARG 2.65 -1.29 1 27 TYR 0.54 -1.61 1 28 GLN -5.53 2.98 1 29 ASN 2.77 -2.73 1 30 LEU 3.10 -1.63 1 31 SER -3.15 0.87 1 33 VAL -1.10 0.51 1 35 SER -1.15 0.40 1 37 ALA 2.27 -1.29 1 38 TYR 0.32 -1.64 1 41 VAL -2.24 1.03 1 43 ALA -3.10 0.78 1 44 ALA -5.45 3.11 1 45 PHE -1.86 0.93 1 46 ASP -2.40 -0.38 1 47 THR 2.89 -1.31 1 48 LYS 3.12 -1.12 1 49 THR -1.15 0.64 1 51 LEU -2.62 0.66 1 52 ARG 0.95 -1.42 1 53 VAL -4.90 1.73 1 54 ALA -2.86 0.02 1 56 LYS -3.73 1.11 1 57 LYS -2.56 0.24 1 58 LEU 2.62 -3.10 1 59 SER -0.44 -1.13 1 60 ARG 3.31 -1.61 1 62 PHE -1.55 -2.20 1 63 GLN 1.96 -0.57 1 64 SER -4.42 2.15 1 65 ILE 5.68 -1.55 1 66 ILE 4.41 -1.71 1 68 ALA 2.81 -0.61 1 69 LYS 4.65 -1.75 1 70 ARG 4.92 -2.19 1 72 TYR 6.20 -1.85 1 81 MET -0.21 0.01 1 82 LYS -0.97 -1.13 1 83 HIS -2.01 3.66 1 84 GLU 2.78 -0.28 1 85 ASN -1.87 1.90 1 86 VAL -3.45 2.30 1 90 LEU 0.37 -0.23 1 91 ASP -2.13 0.43 1 92 VAL -3.04 -0.07 1 93 PHE -3.73 1.49 1 94 THR -4.79 1.91 1 96 ALA -1.03 0.86 1 97 ARG 0.96 -1.42 1 98 SER -3.37 1.23 1 99 LEU 3.43 -1.99 1 100 GLU 4.25 -1.87 1 101 GLU -2.53 0.35 1 102 PHE 0.41 -1.64 1 103 ASN -1.91 2.56 1 104 ASP -4.24 2.89 1 105 VAL -3.24 2.19 1 106 TYR -3.64 0.39 1 107 LEU -3.34 1.19 1 109 THR -5.63 2.92 1 110 HIS 1.30 2.16 1 111 LEU -0.28 -0.91 1 112 MET 0.48 -1.51 1 114 ALA -3.57 2.00 1 115 ASP -3.32 1.03 1 117 ASN 3.49 -1.19 1 120 VAL 3.70 -1.89 1 121 LYS 2.68 -1.60 1 123 GLN -2.10 0.93 1 124 LYS 0.53 -2.03 1 125 LEU -0.23 -1.06 1 126 THR -3.05 1.95 1 127 ASP 2.58 1.22 1 128 ASP 3.92 -0.84 1 130 VAL 8.99 -3.04 1 131 GLN 2.93 0.30 1 132 PHE 0.79 -0.62 1 133 LEU 3.87 -0.87 1 135 TYR -7.09 0.53 1 139 ARG 5.68 -1.73 1 141 LEU 2.95 -1.72 1 142 LYS 4.72 -1.55 1 143 TYR 4.56 -1.16 1 145 HIS 0.56 1.34 1 146 SER 4.27 -1.75 1 147 ALA 0.38 -1.90 1 148 ASP 3.60 -2.62 1 149 ILE -1.89 -0.36 1 160 ALA -4.51 2.22 1 161 VAL -6.38 2.88 1 162 ASN -4.22 1.06 1 163 GLU 3.22 -1.30 1 164 ASP -0.14 -0.48 1 166 GLU 0.73 -1.82 1 167 LEU -5.10 2.89 1 168 LYS -5.63 4.36 1 169 ILE 1.05 -0.04 1 180 ASP 0.51 -0.34 1 181 GLU 0.82 -0.65 1 192 ARG -0.64 0.03 1 198 LEU 3.74 -1.18 1 199 ASN -1.14 1.31 1 200 TRP -1.42 -1.80 1 202 HIS 0.46 3.65 1 204 ASN 1.22 2.16 1 209 ILE 3.99 -4.50 1 210 TRP 5.32 -1.80 1 211 SER 4.37 -0.76 1 212 VAL 7.96 -3.00 1 215 ILE 5.73 -1.39 1 216 MET 6.94 -2.22 1 217 ALA 1.55 0.89 1 218 GLU 1.94 -0.69 1 219 LEU 2.34 -0.42 1 220 LEU 4.03 -2.47 1 221 THR -1.26 1.20 1 223 ARG -3.42 0.99 1 224 THR 3.03 -1.52 1 225 LEU 0.42 -0.86 1 231 HIS 3.43 -1.02 1 239 LEU 2.08 0.83 1 240 ARG 4.07 -1.98 1 241 LEU 3.34 -1.03 1 247 ALA 4.13 -2.04 1 248 GLU 3.40 -2.05 1 249 LEU 3.61 -1.26 1 250 LEU 2.72 -0.88 1 258 ALA 0.05 -1.10 1 259 ARG 3.16 -1.18 1 263 GLN 1.18 -0.51 1 264 SER 1.21 -1.08 1 270 LYS 0.58 -0.40 1 271 MET 1.05 -1.65 1 272 ASN 4.53 -2.72 1 273 PHE 4.21 -2.49 1 274 ALA 0.96 -0.75 1 275 ASN 2.35 -0.60 1 276 VAL 1.11 -3.23 1 277 PHE 3.19 -2.38 1 278 ILE -1.47 -0.28 1 280 ALA -0.34 -0.20 1 281 ASN 2.11 -0.53 1 283 LEU 3.22 -2.14 1 284 ALA 6.55 -2.39 1 285 VAL 1.39 1.75 1 286 ASP 5.56 -3.41 1 287 LEU 4.92 -1.58 1 288 LEU 3.41 -1.82 1 289 GLU 1.79 -1.16 1 290 LYS 1.51 1.26 1 291 MET 8.19 -4.23 1 292 LEU 2.74 -0.86 1 297 ASP -1.13 -0.68 1 298 LYS 2.32 -1.29 1 299 ARG 0.41 0.47 1 300 ILE -2.82 0.91 1 301 THR 6.46 -3.10 1 302 ALA 3.89 -1.56 1 303 ALA 3.36 -1.38 1 304 GLN 2.70 -0.60 1 305 ALA 3.63 -1.40 1 306 LEU -0.91 -0.94 1 307 ALA 0.23 3.17 1 308 HIS 3.15 -0.73 1 309 ALA 2.45 -0.56 1 310 TYR -0.78 -1.38 1 311 PHE 3.96 -0.97 1 312 ALA 2.98 -1.83 1 313 GLN -0.81 1.14 1 314 TYR 0.72 -0.15 1 315 HIS -2.29 0.59 1 316 ASP 1.56 -0.86 1 318 ASP -2.70 0.68 1 319 ASP -0.57 -0.38 1 320 GLU -3.40 0.45 1 322 VAL -2.26 0.28 1 323 ALA 0.76 -2.30 1 324 ASP -0.32 0.00 1 327 ASP 0.49 -1.02 1 332 SER 0.47 -0.60 1 333 ARG -0.51 -0.65 1 334 ASP -1.42 -1.26 1 335 LEU -0.37 -1.08 1 336 LEU 6.77 -1.31 1 337 ILE 4.23 -1.57 1 338 ASP 2.18 -0.69 1 339 GLU 2.00 0.28 1 340 TRP 5.53 -1.74 1 341 LYS 4.48 -1.92 1 342 SER 3.40 -1.22 1 343 LEU 5.27 -1.52 1 345 TYR 4.00 -1.36 1 346 ASP 1.97 -1.06 1 347 GLU 5.26 -1.71 1 348 VAL 4.35 -2.58 1 349 ILE 0.11 -0.65 1 350 SER 2.90 -0.37 1 351 PHE 0.20 0.74 1 stop_ save_