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 bmr17748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.93 _LACS_plot.Line_1_terminator_val_y_1 -3.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.96 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 4.84 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 HIS -1.33 2.50 0 49 LYS 6.18 0.20 0 10 ALA -0.30 -0.62 1 13 GLU -0.27 0.00 1 14 MET -3.44 -1.97 1 15 VAL -1.37 -0.99 1 16 ARG 4.11 0.27 1 18 GLN -3.34 -2.44 1 19 VAL 2.11 0.81 1 20 PHE -1.52 -0.94 1 21 ASP 0.98 -1.17 1 22 VAL -0.79 -2.49 1 25 ARG 6.07 4.04 1 27 THR -5.39 -2.43 1 28 ASN 3.75 0.53 1 29 LEU 0.68 -0.26 1 30 SER -2.24 -1.70 1 31 TYR 2.44 2.12 1 32 ILE 1.52 1.25 1 34 GLU -3.59 -1.68 1 37 TYR -0.31 -2.45 1 39 MET -2.29 0.36 1 40 VAL -1.44 -1.56 1 42 SER -4.35 -2.77 1 43 ALA -6.93 -2.10 1 44 TYR 0.12 0.04 1 47 LEU 3.13 1.51 1 48 ASN -0.16 -0.50 1 50 VAL -6.02 -3.71 1 51 ARG 0.62 -0.23 1 60 PHE 6.59 3.73 1 61 GLU 1.21 -0.10 1 62 HIS -3.99 -0.41 1 67 GLN 5.63 4.18 1 69 THR 6.69 4.90 1 70 LEU 4.84 2.45 1 71 ARG 5.68 4.50 1 78 ARG 0.88 -0.13 1 79 PHE -2.74 -3.83 1 80 ARG -0.28 -0.79 1 82 GLU 3.02 2.53 1 83 ASN -0.24 0.68 1 84 ILE -1.80 -0.58 1 87 ILE 0.12 0.70 1 89 ASP -1.75 -1.74 1 90 ILE -2.16 -0.45 1 91 ILE -2.74 -1.40 1 92 ARG -2.73 -1.70 1 93 ALA 0.49 0.47 1 95 THR -5.18 -3.59 1 96 ILE 6.43 3.90 1 97 GLU 4.74 2.11 1 98 GLN -1.22 -0.54 1 99 MET 1.76 0.34 1 101 ASP -6.78 -2.72 1 102 VAL -2.91 -1.69 1 107 ASP 1.53 0.54 1 110 GLU 2.91 3.02 1 111 THR -1.64 -2.83 1 112 ASP -3.99 -1.12 1 115 LYS 4.55 3.03 1 116 LEU 3.70 2.98 1 117 LEU 2.79 0.76 1 118 LYS 2.57 0.97 1 119 THR -1.16 -0.01 1 120 GLN -2.82 -1.02 1 121 HIS -0.36 -0.81 1 122 LEU -1.01 -1.04 1 123 SER -1.91 -1.51 1 124 ASN 4.27 3.86 1 125 ASP 3.93 2.48 1 126 HIS 2.62 3.96 1 127 ILE 6.43 4.93 1 129 TYR 1.97 0.78 1 144 ALA 0.00 -1.31 1 145 ASN 2.15 0.54 1 146 VAL -1.77 -1.16 1 154 SER 4.37 2.20 1 159 ASN -4.26 -2.78 1 161 THR 1.23 -0.92 1 163 ASP 1.93 0.55 1 168 ASP 4.02 0.94 1 224 SER -2.69 0.04 1 225 ASN 6.14 3.09 1 226 ARG -2.58 -2.88 1 247 SER 3.59 1.90 1 249 SER -2.41 -1.68 1 250 GLN 5.68 3.52 1 251 GLU 3.91 2.37 1 252 ASP 3.75 2.63 1 254 ASN 2.90 1.33 1 263 ASN 3.91 2.30 1 266 LEU 2.57 1.48 1 267 SER 0.64 0.44 1 268 LEU 1.42 -0.33 1 270 HIS 2.31 2.45 1 271 LYS -3.91 -2.83 1 272 ASN -1.54 -1.31 1 273 LYS -0.16 -0.11 1 274 VAL -0.36 -0.48 1 276 TRP 1.50 1.87 1 277 ASN 4.06 1.27 1 278 ARG 2.45 0.64 1 279 LEU 1.73 1.00 1 280 PHE -1.72 -2.05 1 282 ASN -0.78 -0.93 1 283 ALA -3.05 -1.35 1 284 ASP -1.34 0.23 1 286 LYS 4.86 3.08 1 287 ALA 4.92 1.98 1 288 LEU 3.70 1.01 1 289 ASP 1.86 3.30 1 296 THR -1.46 -0.81 1 297 PHE 5.08 4.75 1 298 ASN -0.97 -1.18 1 300 HIS 2.28 2.12 1 301 LYS -1.20 -1.12 1 302 ARG 1.02 0.68 1 305 VAL 7.05 4.53 1 306 GLU 5.55 3.61 1 307 GLN 3.61 1.77 1 315 GLU 3.25 2.34 1 316 GLN 3.30 1.45 1 318 TYR 0.14 -0.47 1 319 ASP 0.18 -1.24 1 321 SER 2.74 1.64 1 322 ASP -3.29 -1.76 1 323 GLU -0.81 -0.75 1 325 ILE -4.18 -1.99 1 326 ALA 0.56 -1.09 1 327 GLU 2.03 1.10 1 328 ALA -3.10 -3.11 1 338 ASP -0.44 -0.94 1 339 LEU -0.24 -0.71 1 341 LYS 5.57 3.54 1 342 GLU 6.49 3.97 1 343 LYS 2.81 0.16 1 344 LEU 3.62 2.81 1 345 LYS 7.34 4.57 1 346 GLU 3.97 2.77 1 347 LEU 3.98 2.52 1 348 ILE 5.89 4.58 1 349 PHE 6.17 5.24 1 350 GLU 3.58 2.50 1 351 GLU 2.00 1.35 1 353 ALA 4.85 2.62 1 355 PHE 0.25 0.29 1 356 GLN 0.94 -0.44 1 359 TYR 1.78 1.04 1 360 ARG -0.16 -0.90 1 361 SER 1.00 1.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.93 _LACS_plot.Line_1_terminator_val_y_1 3.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 -2.50 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 HIS -1.33 3.83 0 49 LYS 6.18 -5.98 0 10 ALA -0.30 -0.32 1 13 GLU -0.27 0.27 1 14 MET -3.44 1.47 1 15 VAL -1.37 0.38 1 16 ARG 4.11 -3.84 1 18 GLN -3.34 0.90 1 19 VAL 2.11 -1.30 1 20 PHE -1.52 0.58 1 21 ASP 0.98 -2.15 1 22 VAL -0.79 -1.70 1 25 ARG 6.07 -2.03 1 27 THR -5.39 2.96 1 28 ASN 3.75 -3.22 1 29 LEU 0.68 -0.94 1 30 SER -2.24 0.54 1 31 TYR 2.44 -0.32 1 32 ILE 1.52 -0.27 1 34 GLU -3.59 1.91 1 37 TYR -0.31 -2.14 1 39 MET -2.29 2.65 1 40 VAL -1.44 -0.12 1 42 SER -4.35 1.58 1 43 ALA -6.93 4.83 1 44 TYR 0.12 -0.08 1 47 LEU 3.13 -1.62 1 48 ASN -0.16 -0.34 1 50 VAL -6.02 2.31 1 51 ARG 0.62 -0.85 1 60 PHE 6.59 -2.86 1 61 GLU 1.21 -1.31 1 62 HIS -3.99 3.58 1 67 GLN 5.63 -1.45 1 69 THR 6.69 -1.79 1 70 LEU 4.84 -2.39 1 71 ARG 5.68 -1.18 1 78 ARG 0.88 -1.01 1 79 PHE -2.74 -1.09 1 80 ARG -0.28 -0.51 1 82 GLU 3.02 -0.49 1 83 ASN -0.24 0.92 1 84 ILE -1.80 1.22 1 87 ILE 0.12 0.58 1 89 ASP -1.75 0.01 1 90 ILE -2.16 1.71 1 91 ILE -2.74 1.34 1 92 ARG -2.73 1.03 1 93 ALA 0.49 -0.02 1 95 THR -5.18 1.59 1 96 ILE 6.43 -2.53 1 97 GLU 4.74 -2.63 1 98 GLN -1.22 0.68 1 99 MET 1.76 -1.42 1 101 ASP -6.78 4.06 1 102 VAL -2.91 1.22 1 107 ASP 1.53 -0.99 1 110 GLU 2.91 0.11 1 111 THR -1.64 -1.19 1 112 ASP -3.99 2.87 1 115 LYS 4.55 -1.52 1 116 LEU 3.70 -0.72 1 117 LEU 2.79 -2.03 1 118 LYS 2.57 -1.60 1 119 THR -1.16 1.15 1 120 GLN -2.82 1.80 1 121 HIS -0.36 -0.45 1 122 LEU -1.01 -0.03 1 123 SER -1.91 0.40 1 124 ASN 4.27 -0.41 1 125 ASP 3.93 -1.45 1 126 HIS 2.62 1.34 1 127 ILE 6.43 -1.50 1 129 TYR 1.97 -1.19 1 144 ALA 0.00 -1.31 1 145 ASN 2.15 -1.61 1 146 VAL -1.77 0.61 1 154 SER 4.37 -2.17 1 159 ASN -4.26 1.48 1 161 THR 1.23 -2.15 1 163 ASP 1.93 -1.38 1 168 ASP 4.02 -3.08 1 224 SER -2.69 2.73 1 225 ASN 6.14 -3.05 1 226 ARG -2.58 -0.30 1 247 SER 3.59 -1.69 1 249 SER -2.41 0.73 1 250 GLN 5.68 -2.16 1 251 GLU 3.91 -1.54 1 252 ASP 3.75 -1.12 1 254 ASN 2.90 -1.57 1 263 ASN 3.91 -1.61 1 266 LEU 2.57 -1.09 1 267 SER 0.64 -0.20 1 268 LEU 1.42 -1.75 1 270 HIS 2.31 0.14 1 271 LYS -3.91 1.08 1 272 ASN -1.54 0.23 1 273 LYS -0.16 0.05 1 274 VAL -0.36 -0.12 1 276 TRP 1.50 0.37 1 277 ASN 4.06 -2.79 1 278 ARG 2.45 -1.81 1 279 LEU 1.73 -0.73 1 280 PHE -1.72 -0.33 1 282 ASN -0.78 -0.15 1 283 ALA -3.05 1.70 1 284 ASP -1.34 1.57 1 286 LYS 4.86 -1.78 1 287 ALA 4.92 -2.94 1 288 LEU 3.70 -2.69 1 289 ASP 1.86 1.44 1 296 THR -1.46 0.65 1 297 PHE 5.08 -0.33 1 298 ASN -0.97 -0.21 1 300 HIS 2.28 -0.16 1 301 LYS -1.20 0.08 1 302 ARG 1.02 -0.34 1 305 VAL 7.05 -2.52 1 306 GLU 5.55 -1.94 1 307 GLN 3.61 -1.84 1 315 GLU 3.25 -0.91 1 316 GLN 3.30 -1.85 1 318 TYR 0.14 -0.61 1 319 ASP 0.18 -1.42 1 321 SER 2.74 -1.10 1 322 ASP -3.29 1.53 1 323 GLU -0.81 0.06 1 325 ILE -4.18 2.19 1 326 ALA 0.56 -1.65 1 327 GLU 2.03 -0.93 1 328 ALA -3.10 -0.01 1 338 ASP -0.44 -0.50 1 339 LEU -0.24 -0.47 1 341 LYS 5.57 -2.03 1 342 GLU 6.49 -2.52 1 343 LYS 2.81 -2.65 1 344 LEU 3.62 -0.81 1 345 LYS 7.34 -2.77 1 346 GLU 3.97 -1.20 1 347 LEU 3.98 -1.46 1 348 ILE 5.89 -1.31 1 349 PHE 6.17 -0.93 1 350 GLU 3.58 -1.08 1 351 GLU 2.00 -0.65 1 353 ALA 4.85 -2.23 1 355 PHE 0.25 0.04 1 356 GLN 0.94 -1.38 1 359 TYR 1.78 -0.74 1 360 ARG -0.16 -0.74 1 361 SER 1.00 0.34 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.93 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.69 _LACS_plot.Line_2_terminator_val_x_2 7.34 _LACS_plot.Line_2_terminator_val_y_2 1.64 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 146 VAL -1.77 -3.91 0 43 ALA -6.93 -3.41 0 115 LYS 4.55 4.19 0 225 ASN 6.14 -1.91 0 10 ALA -0.30 -0.01 1 13 GLU -0.27 -1.71 1 14 MET -3.44 -0.11 1 15 VAL -1.37 -1.41 1 16 ARG 4.11 0.29 1 18 GLN -3.34 -0.81 1 19 VAL 2.11 -0.41 1 20 PHE -1.52 -1.01 1 21 ASP 0.98 -1.81 1 22 VAL -0.79 -0.11 1 25 ARG 6.07 -0.71 1 27 THR -5.39 -0.61 1 28 ASN 3.75 -0.51 1 29 LEU 0.68 1.39 1 30 SER -2.24 -1.21 1 31 TYR 2.44 -0.21 1 32 ILE 1.52 -0.91 1 34 GLU -3.59 -1.01 1 37 TYR -0.31 -1.21 1 39 MET -2.29 -2.51 1 40 VAL -1.44 -0.81 1 47 LEU 3.13 -0.01 1 48 ASN -0.16 -1.01 1 49 LYS 6.18 -1.41 1 50 VAL -6.02 -2.31 1 60 PHE 6.59 0.39 1 61 GLU 1.21 -0.61 1 67 GLN 5.63 1.19 1 69 THR 6.69 0.49 1 70 LEU 4.84 -0.21 1 78 ARG 0.88 0.39 1 79 PHE -2.74 -0.51 1 80 ARG -0.28 -2.91 1 81 HIS -1.33 1.19 1 82 GLU 3.02 1.19 1 83 ASN -0.24 -1.41 1 87 ILE 0.12 -1.81 1 89 ASP -1.75 -2.81 1 91 ILE -2.74 -1.01 1 92 ARG -2.73 -1.01 1 95 THR -5.18 0.09 1 96 ILE 6.43 0.89 1 97 GLU 4.74 1.89 1 98 GLN -1.22 -0.61 1 101 ASP -6.78 -1.71 1 110 GLU 2.91 -0.21 1 111 THR -1.64 -1.71 1 116 LEU 3.70 1.79 1 117 LEU 2.79 1.49 1 118 LYS 2.57 1.59 1 119 THR -1.16 -0.41 1 120 GLN -2.82 -2.21 1 121 HIS -0.36 1.19 1 122 LEU -1.01 -0.51 1 124 ASN 4.27 1.59 1 125 ASP 3.93 2.59 1 126 HIS 2.62 2.29 1 127 ILE 6.43 0.69 1 144 ALA 0.00 -1.71 1 145 ASN 2.15 -2.11 1 154 SER 4.37 -1.01 1 161 THR 1.23 -0.71 1 224 SER -2.69 -0.31 1 249 SER -2.41 -0.01 1 250 GLN 5.68 2.49 1 251 GLU 3.91 2.39 1 252 ASP 3.75 2.79 1 254 ASN 2.90 1.19 1 263 ASN 3.91 3.19 1 266 LEU 2.57 0.09 1 267 SER 0.64 -0.51 1 270 HIS 2.31 1.09 1 271 LYS -3.91 -0.81 1 272 ASN -1.54 -0.81 1 273 LYS -0.16 0.09 1 276 TRP 1.50 1.99 1 277 ASN 4.06 0.69 1 278 ARG 2.45 1.49 1 279 LEU 1.73 -0.51 1 282 ASN -0.78 -0.31 1 283 ALA -3.05 -1.11 1 284 ASP -1.34 1.39 1 286 LYS 4.86 2.19 1 287 ALA 4.92 1.59 1 288 LEU 3.70 1.09 1 296 THR -1.46 0.09 1 297 PHE 5.08 -1.21 1 300 HIS 2.28 2.29 1 301 LYS -1.20 -1.01 1 302 ARG 1.02 -0.51 1 305 VAL 7.05 -0.61 1 306 GLU 5.55 2.49 1 315 GLU 3.25 0.79 1 316 GLN 3.30 -0.41 1 318 TYR 0.14 0.59 1 321 SER 2.74 -0.31 1 322 ASP -3.29 -0.51 1 325 ILE -4.18 -0.71 1 326 ALA 0.56 0.29 1 327 GLU 2.03 -0.81 1 338 ASP -0.44 -0.01 1 341 LYS 5.57 1.49 1 342 GLU 6.49 2.29 1 343 LYS 2.81 2.39 1 344 LEU 3.62 1.29 1 345 LYS 7.34 1.39 1 346 GLU 3.97 2.59 1 347 LEU 3.98 2.99 1 348 ILE 5.89 2.09 1 349 PHE 6.17 1.59 1 350 GLU 3.58 3.39 1 353 ALA 4.85 1.29 1 355 PHE 0.25 0.29 1 359 TYR 1.78 -0.11 1 360 ARG -0.16 -1.71 1 stop_ save_