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 bmr6183_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 -3.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.14 _LACS_plot.Line_2_terminator_val_x_2 9.27 _LACS_plot.Line_2_terminator_val_y_2 6.03 _LACS_plot.Y_axis_chem_shift_offset 0.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 327 THR 6.05 -2.77 0 133 SER 3.37 8.11 0 10 LYS 0.49 -0.60 1 11 LYS 0.34 -0.75 1 13 SER -2.19 -0.82 1 14 GLU 1.21 0.33 1 15 GLN 1.22 0.61 1 16 GLU 0.60 -0.06 1 17 SER 0.46 -0.19 1 18 VAL 4.88 2.64 1 19 LYS 4.30 2.46 1 20 GLU 3.22 2.03 1 21 PHE 4.25 2.35 1 22 LEU 4.05 1.59 1 23 ALA 4.50 2.36 1 24 LYS 3.72 1.66 1 25 ALA 3.40 1.64 1 26 LYS 5.13 2.69 1 27 GLU 3.92 2.51 1 28 GLU 3.39 2.28 1 29 PHE 4.29 2.31 1 40 THR 0.11 -0.22 1 41 ALA -2.77 -1.91 1 42 GLN -4.20 -3.31 1 43 LEU 4.33 2.77 1 44 ASP 2.43 0.23 1 45 HIS -2.01 -0.65 1 46 PHE -3.33 -1.86 1 47 ASP -2.18 -1.31 1 48 ARG 2.89 0.85 1 49 ILE 2.70 0.92 1 50 LYS -1.13 1.15 1 54 THR -2.64 -1.73 1 59 ARG -3.50 -1.57 1 60 VAL -1.84 -2.06 1 61 MET -4.16 -1.68 1 62 LEU -0.41 -1.22 1 63 VAL -6.81 -4.48 1 64 LYS -4.91 -2.71 1 65 HIS -0.53 2.40 1 66 LYS 4.71 3.32 1 67 GLU 0.87 0.88 1 68 THR -1.16 -0.25 1 70 ASN 0.14 -0.16 1 71 HIS -0.14 1.15 1 72 TYR -5.56 -0.97 1 73 ALA -2.34 -2.53 1 74 MET -6.21 -2.23 1 75 LYS -0.19 -0.68 1 76 ILE -0.67 -0.80 1 77 LEU -1.28 -2.16 1 78 ASP -2.21 -1.57 1 79 LYS 3.78 4.34 1 80 GLN 4.41 3.35 1 83 VAL 6.06 3.97 1 84 LYS 4.15 2.69 1 85 LEU 1.62 -1.14 1 86 LYS 6.46 0.65 1 87 GLN -0.40 -2.28 1 88 ILE 6.37 5.19 1 99 GLN 3.99 0.61 1 100 ALA -1.94 -0.26 1 101 VAL -2.89 -1.98 1 102 ASN -0.05 0.92 1 103 PHE -4.19 -0.85 1 106 LEU -2.92 -2.31 1 107 VAL 1.86 0.07 1 111 PHE -6.13 -2.57 1 112 SER -1.93 -0.19 1 113 PHE -0.08 -1.31 1 114 LYS -5.40 -2.08 1 115 ASP -3.73 -2.12 1 116 ASN 4.81 3.01 1 126 VAL -4.40 -0.12 1 132 PHE 0.69 -0.99 1 134 HIS 1.15 1.39 1 135 LEU 9.28 6.45 1 153 ILE 6.21 1.47 1 154 VAL 7.90 5.26 1 191 ALA -0.14 -0.26 1 192 LYS -4.40 -1.15 1 193 ARG 1.68 -0.95 1 194 VAL -2.74 -1.98 1 195 LYS 0.94 -0.68 1 197 ARG -2.92 -1.81 1 198 THR -1.26 -0.95 1 204 THR -1.05 -1.19 1 207 TYR -0.50 0.49 1 208 LEU 0.61 -0.05 1 209 ALA -2.19 -4.55 1 215 SER 3.35 0.82 1 216 LYS -0.08 -1.10 1 218 TYR -2.93 -2.31 1 219 ASN -3.34 -2.45 1 220 LYS 5.38 1.74 1 221 ALA 3.26 1.80 1 222 VAL 5.23 2.02 1 223 ASP 2.57 3.66 1 226 ALA 3.83 2.44 1 227 LEU 5.02 2.41 1 229 VAL 7.61 4.70 1 230 LEU 3.04 1.93 1 241 PHE 2.84 2.29 1 242 PHE -1.18 -0.61 1 243 ALA -3.65 -1.67 1 244 ASP 2.10 1.69 1 245 GLN -2.90 -1.86 1 247 ILE 4.40 2.02 1 248 GLN 2.22 1.39 1 249 ILE 6.97 4.52 1 250 TYR 3.25 0.17 1 251 GLU 3.08 1.89 1 252 LYS 3.00 2.13 1 253 ILE 5.47 3.99 1 254 VAL 4.31 1.70 1 255 SER 1.80 1.37 1 257 LYS 0.70 -0.99 1 258 VAL -2.29 -2.06 1 259 ARG -2.13 -2.67 1 260 PHE -1.63 -2.86 1 264 PHE 0.16 -2.49 1 265 SER 0.34 -0.39 1 266 SER 4.03 3.23 1 276 LEU 2.27 -2.74 1 277 GLN -2.91 -2.92 1 278 VAL 4.97 2.96 1 279 ASP -0.26 -1.57 1 280 LEU 4.70 2.77 1 281 THR 2.27 1.08 1 282 LYS -1.86 -1.15 1 283 ARG 0.01 0.07 1 284 PHE 2.60 0.10 1 286 ASN -5.27 -1.61 1 287 LEU 0.13 -2.40 1 288 LYS 5.09 3.10 1 289 ASN 1.02 -0.48 1 294 ILE 4.32 2.99 1 295 LYS 4.39 2.63 1 296 ASN 0.73 -0.32 1 297 HIS 1.88 4.22 1 298 LYS 4.64 3.10 1 300 PHE -0.14 0.05 1 301 ALA 3.97 3.11 1 302 THR 0.57 -0.77 1 303 THR 3.69 1.98 1 304 ASP -1.42 -2.95 1 305 TRP 1.97 2.13 1 306 ILE 5.07 1.95 1 307 ALA 3.08 1.62 1 308 ILE 5.76 2.11 1 309 TYR 4.80 3.70 1 311 ARG 5.32 -0.01 1 312 LYS -0.42 -0.76 1 313 VAL -0.46 -0.98 1 314 GLU 1.10 -0.38 1 315 ALA -1.96 -1.15 1 326 ASP 0.11 0.23 1 328 SER -0.43 -3.25 1 331 ASP -2.90 -2.11 1 332 ASP -2.61 -2.27 1 333 TYR -2.10 -2.38 1 334 GLU -7.95 -2.17 1 335 GLU -7.68 -1.98 1 337 GLU -0.56 -0.85 1 338 ILE 1.12 -0.58 1 339 ARG 0.58 -0.71 1 340 VAL -0.39 -0.98 1 341 SER -3.89 -3.04 1 342 ILE 2.67 0.82 1 343 ASN -4.10 -1.56 1 344 GLU 1.46 0.95 1 345 LYS -2.28 -4.04 1 348 LYS 4.03 1.82 1 349 GLU 5.46 3.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6183_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 4.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.14 _LACS_plot.Line_2_terminator_val_x_2 9.27 _LACS_plot.Line_2_terminator_val_y_2 -3.24 _LACS_plot.Y_axis_chem_shift_offset 0.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 327 THR 6.05 -8.82 0 133 SER 3.37 4.74 0 10 LYS 0.49 -1.09 1 11 LYS 0.34 -1.09 1 13 SER -2.19 1.37 1 14 GLU 1.21 -0.88 1 15 GLN 1.22 -0.61 1 16 GLU 0.60 -0.66 1 17 SER 0.46 -0.65 1 18 VAL 4.88 -2.24 1 19 LYS 4.30 -1.84 1 20 GLU 3.22 -1.19 1 21 PHE 4.25 -1.90 1 22 LEU 4.05 -2.46 1 23 ALA 4.50 -2.14 1 24 LYS 3.72 -2.06 1 25 ALA 3.40 -1.76 1 26 LYS 5.13 -2.44 1 27 GLU 3.92 -1.41 1 28 GLU 3.39 -1.11 1 29 PHE 4.29 -1.98 1 40 THR 0.11 -0.33 1 41 ALA -2.77 0.86 1 42 GLN -4.20 0.89 1 43 LEU 4.33 -1.56 1 44 ASP 2.43 -2.20 1 45 HIS -2.01 1.36 1 46 PHE -3.33 1.47 1 47 ASP -2.18 0.87 1 48 ARG 2.89 -2.04 1 49 ILE 2.70 -1.78 1 50 LYS -1.13 2.28 1 54 THR -2.64 0.91 1 59 ARG -3.50 1.93 1 60 VAL -1.84 -0.22 1 61 MET -4.16 2.48 1 62 LEU -0.41 -0.81 1 63 VAL -6.81 2.33 1 64 LYS -4.91 2.20 1 65 HIS -0.53 2.93 1 66 LYS 4.71 -1.39 1 67 GLU 0.87 0.01 1 68 THR -1.16 0.91 1 70 ASN 0.14 -0.30 1 71 HIS -0.14 1.29 1 72 TYR -5.56 4.59 1 73 ALA -2.34 -0.19 1 74 MET -6.21 3.98 1 75 LYS -0.19 -0.49 1 76 ILE -0.67 -0.13 1 77 LEU -1.28 -0.88 1 78 ASP -2.21 0.64 1 79 LYS 3.78 0.56 1 80 GLN 4.41 -1.06 1 83 VAL 6.06 -2.09 1 84 LYS 4.15 -1.46 1 85 LEU 1.62 -2.76 1 86 LYS 6.46 -5.81 1 87 GLN -0.40 -1.88 1 88 ILE 6.37 -1.18 1 99 GLN 3.99 -3.38 1 100 ALA -1.94 1.68 1 101 VAL -2.89 0.91 1 102 ASN -0.05 0.97 1 103 PHE -4.19 3.34 1 106 LEU -2.92 0.61 1 107 VAL 1.86 -1.79 1 111 PHE -6.13 3.56 1 112 SER -1.93 1.74 1 113 PHE -0.08 -1.23 1 114 LYS -5.40 3.32 1 115 ASP -3.73 1.61 1 116 ASN 4.81 -1.80 1 126 VAL -4.40 4.28 1 132 PHE 0.69 -1.68 1 134 HIS 1.15 0.24 1 135 LEU 9.28 -2.83 1 153 ILE 6.21 -4.74 1 154 VAL 7.90 -2.64 1 191 ALA -0.14 -0.12 1 192 LYS -4.40 3.25 1 193 ARG 1.68 -2.63 1 194 VAL -2.74 0.76 1 195 LYS 0.94 -1.62 1 197 ARG -2.92 1.11 1 198 THR -1.26 0.31 1 204 THR -1.05 -0.14 1 207 TYR -0.50 0.99 1 208 LEU 0.61 -0.66 1 209 ALA -2.19 -2.36 1 215 SER 3.35 -2.53 1 216 LYS -0.08 -1.02 1 218 TYR -2.93 0.62 1 219 ASN -3.34 0.89 1 220 LYS 5.38 -3.64 1 221 ALA 3.26 -1.46 1 222 VAL 5.23 -3.21 1 223 ASP 2.57 1.09 1 226 ALA 3.83 -1.39 1 227 LEU 5.02 -2.61 1 229 VAL 7.61 -2.91 1 230 LEU 3.04 -1.11 1 241 PHE 2.84 -0.55 1 242 PHE -1.18 0.57 1 243 ALA -3.65 1.98 1 244 ASP 2.10 -0.41 1 245 GLN -2.90 1.04 1 247 ILE 4.40 -2.38 1 248 GLN 2.22 -0.83 1 249 ILE 6.97 -2.45 1 250 TYR 3.25 -3.08 1 251 GLU 3.08 -1.19 1 252 LYS 3.00 -0.87 1 253 ILE 5.47 -1.48 1 254 VAL 4.31 -2.61 1 255 SER 1.80 -0.43 1 257 LYS 0.70 -1.69 1 258 VAL -2.29 0.23 1 259 ARG -2.13 -0.54 1 260 PHE -1.63 -1.23 1 264 PHE 0.16 -2.65 1 265 SER 0.34 -0.73 1 266 SER 4.03 -0.80 1 276 LEU 2.27 -5.01 1 277 GLN -2.91 -0.01 1 278 VAL 4.97 -2.01 1 279 ASP -0.26 -1.31 1 280 LEU 4.70 -1.93 1 281 THR 2.27 -1.19 1 282 LYS -1.86 0.71 1 283 ARG 0.01 0.06 1 284 PHE 2.60 -2.50 1 286 ASN -5.27 3.66 1 287 LEU 0.13 -2.53 1 288 LYS 5.09 -1.99 1 289 ASN 1.02 -1.50 1 294 ILE 4.32 -1.33 1 295 LYS 4.39 -1.76 1 296 ASN 0.73 -1.05 1 297 HIS 1.88 2.34 1 298 LYS 4.64 -1.54 1 300 PHE -0.14 0.19 1 301 ALA 3.97 -0.86 1 302 THR 0.57 -1.34 1 303 THR 3.69 -1.71 1 304 ASP -1.42 -1.53 1 305 TRP 1.97 0.16 1 306 ILE 5.07 -3.12 1 307 ALA 3.08 -1.46 1 308 ILE 5.76 -3.65 1 309 TYR 4.80 -1.10 1 311 ARG 5.32 -5.33 1 312 LYS -0.42 -0.34 1 313 VAL -0.46 -0.52 1 314 GLU 1.10 -1.48 1 315 ALA -1.96 0.81 1 326 ASP 0.11 0.12 1 328 SER -0.43 -2.82 1 331 ASP -2.90 0.79 1 332 ASP -2.61 0.34 1 333 TYR -2.10 -0.28 1 334 GLU -7.95 5.78 1 335 GLU -7.68 5.70 1 337 GLU -0.56 -0.29 1 338 ILE 1.12 -1.70 1 339 ARG 0.58 -1.29 1 340 VAL -0.39 -0.59 1 341 SER -3.89 0.85 1 342 ILE 2.67 -1.85 1 343 ASN -4.10 2.54 1 344 GLU 1.46 -0.51 1 345 LYS -2.28 -1.76 1 348 LYS 4.03 -2.21 1 349 GLU 5.46 -2.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6183_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.91 _LACS_plot.Line_2_terminator_val_x_2 7.89 _LACS_plot.Line_2_terminator_val_y_2 2.08 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 ALA -2.77 -5.55 0 10 LYS 0.49 -0.21 1 11 LYS 0.34 0.39 1 13 SER -2.19 0.26 1 14 GLU 1.21 0.14 1 15 GLN 1.22 0.46 1 16 GLU 0.60 0.16 1 17 SER 0.46 0.92 1 18 VAL 4.88 0.76 1 19 LYS 4.30 1.84 1 20 GLU 3.22 0.28 1 21 PHE 4.25 2.53 1 22 LEU 4.05 1.84 1 23 ALA 4.50 2.90 1 24 LYS 3.72 1.96 1 25 ALA 3.40 3.45 1 26 LYS 5.13 0.86 1 27 GLU 3.92 2.92 1 28 GLU 3.39 0.67 1 40 THR 0.11 -0.88 1 42 GLN -4.20 -1.00 1 43 LEU 4.33 0.50 1 44 ASP 2.43 0.09 1 45 HIS -2.01 0.34 1 46 PHE -3.33 -0.86 1 47 ASP -2.18 -0.15 1 48 ARG 2.89 -1.05 1 49 ILE 2.70 0.98 1 54 THR -2.64 -1.48 1 59 ARG -3.50 -2.97 1 60 VAL -1.84 -0.61 1 61 MET -4.16 -1.85 1 62 LEU -0.41 -2.10 1 63 VAL -6.81 -2.93 1 64 LYS -4.91 -0.33 1 65 HIS -0.53 2.77 1 66 LYS 4.71 1.61 1 67 GLU 0.87 1.41 1 68 THR -1.16 1.83 1 70 ASN 0.14 -0.92 1 71 HIS -0.14 0.05 1 72 TYR -5.56 -2.80 1 73 ALA -2.34 -2.74 1 74 MET -6.21 -2.63 1 75 LYS -0.19 -2.42 1 76 ILE -0.67 -0.94 1 77 LEU -1.28 -3.01 1 78 ASP -2.21 0.41 1 79 LYS 3.78 0.94 1 83 VAL 6.06 4.05 1 84 LYS 4.15 1.71 1 85 LEU 1.62 -1.74 1 86 LYS 6.46 0.67 1 87 GLN -0.40 1.27 1 99 GLN 3.99 -0.69 1 100 ALA -1.94 -0.98 1 101 VAL -2.89 -0.33 1 102 ASN -0.05 -2.99 1 106 LEU -2.92 -1.77 1 111 PHE -6.13 -1.85 1 112 SER -1.93 -2.99 1 113 PHE -0.08 -3.72 1 114 LYS -5.40 -2.48 1 115 ASP -3.73 0.22 1 126 VAL -4.40 -2.09 1 132 PHE 0.69 -0.06 1 133 SER 3.37 0.04 1 134 HIS 1.15 2.12 1 153 ILE 6.21 0.39 1 154 VAL 7.90 1.54 1 191 ALA -0.14 -0.90 1 192 LYS -4.40 -2.56 1 193 ARG 1.68 -1.27 1 194 VAL -2.74 -3.20 1 195 LYS 0.94 -0.23 1 197 ARG -2.92 -1.80 1 207 TYR -0.50 -0.42 1 208 LEU 0.61 -2.80 1 215 SER 3.35 2.97 1 216 LYS -0.08 0.36 1 218 TYR -2.93 -4.10 1 219 ASN -3.34 0.34 1 220 LYS 5.38 -0.58 1 221 ALA 3.26 3.38 1 222 VAL 5.23 0.86 1 226 ALA 3.83 -1.56 1 227 LEU 5.02 0.38 1 229 VAL 7.61 0.76 1 241 PHE 2.84 1.33 1 242 PHE -1.18 -3.14 1 243 ALA -3.65 -2.79 1 244 ASP 2.10 -0.51 1 247 ILE 4.40 1.08 1 248 GLN 2.22 3.03 1 250 TYR 3.25 1.82 1 251 GLU 3.08 2.47 1 252 LYS 3.00 2.53 1 253 ILE 5.47 1.03 1 254 VAL 4.31 1.11 1 255 SER 1.80 1.68 1 257 LYS 0.70 -1.58 1 258 VAL -2.29 -2.95 1 259 ARG -2.13 -1.31 1 264 PHE 0.16 0.83 1 265 SER 0.34 0.56 1 276 LEU 2.27 -1.21 1 277 GLN -2.91 0.96 1 278 VAL 4.97 -0.91 1 279 ASP -0.26 0.97 1 280 LEU 4.70 0.97 1 281 THR 2.27 0.04 1 282 LYS -1.86 -1.25 1 283 ARG 0.01 -0.93 1 286 ASN -5.27 -0.04 1 287 LEU 0.13 1.30 1 288 LYS 5.09 1.38 1 289 ASN 1.02 0.83 1 294 ILE 4.32 0.28 1 295 LYS 4.39 0.99 1 296 ASN 0.73 -0.52 1 297 HIS 1.88 3.86 1 300 PHE -0.14 0.92 1 301 ALA 3.97 1.49 1 302 THR 0.57 0.19 1 303 THR 3.69 -2.08 1 304 ASP -1.42 -1.32 1 305 TRP 1.97 2.23 1 306 ILE 5.07 0.71 1 307 ALA 3.08 2.40 1 308 ILE 5.76 2.02 1 311 ARG 5.32 0.38 1 312 LYS -0.42 0.56 1 313 VAL -0.46 0.63 1 314 GLU 1.10 -2.11 1 326 ASP 0.11 0.38 1 327 THR 6.05 -0.33 1 331 ASP -2.90 -3.82 1 332 ASP -2.61 -1.44 1 333 TYR -2.10 0.07 1 334 GLU -7.95 -2.97 1 337 GLU -0.56 -0.23 1 338 ILE 1.12 -1.75 1 339 ARG 0.58 -1.15 1 340 VAL -0.39 -0.77 1 341 SER -3.89 0.72 1 342 ILE 2.67 -1.19 1 343 ASN -4.10 -1.82 1 344 GLU 1.46 -0.52 1 345 LYS -2.28 0.30 1 348 LYS 4.03 3.09 1 stop_ save_