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 bmr27589_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.85 _LACS_plot.Line_1_terminator_val_y_1 -3.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.91 _LACS_plot.Line_2_terminator_val_x_2 7.31 _LACS_plot.Line_2_terminator_val_y_2 4.72 _LACS_plot.Y_axis_chem_shift_offset 0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 VAL -8.97 -2.55 0 112 VAL -9.85 -3.05 0 35 LEU 4.15 2.71 1 36 VAL 4.72 2.07 1 37 ASN 2.22 1.99 1 38 ALA 2.69 1.36 1 39 VAL -0.12 -1.15 1 41 GLN 5.85 3.06 1 42 LEU 3.12 2.41 1 43 LYS 2.63 1.21 1 44 ASP 0.95 0.67 1 45 ILE -1.66 -1.27 1 46 ALA -4.40 -1.81 1 47 ASN 0.03 -1.28 1 48 VAL -0.78 -1.36 1 49 LYS -4.50 -2.14 1 51 GLU -5.07 -1.79 1 52 GLN 2.26 -1.04 1 53 VAL 3.26 2.30 1 54 VAL -5.46 -3.15 1 55 ASN -0.73 -1.04 1 59 GLN 6.17 1.88 1 60 ASP -0.39 -0.63 1 61 MET 1.60 -0.99 1 62 ASN -3.82 -1.35 1 63 ASP 1.80 1.78 1 64 ASN 3.82 3.03 1 65 VAL 5.41 3.52 1 66 TRP 4.40 1.22 1 67 LEU 3.39 2.76 1 68 THR 5.76 4.67 1 69 LEU 0.77 -0.40 1 70 ALA 2.98 1.60 1 71 LYS 3.12 2.87 1 72 LYS 3.30 1.95 1 73 ILE -3.10 -2.88 1 74 ASN 4.58 2.09 1 75 THR 5.27 3.87 1 76 ASP 2.50 0.34 1 78 ASP 2.60 0.92 1 79 LYS -0.68 -1.02 1 80 THR -3.16 -2.89 1 81 ASP 1.29 0.89 1 83 PHE -2.72 -0.80 1 85 ILE -6.46 -6.13 1 87 HIS -5.06 -0.36 1 92 MET 3.38 3.90 1 93 GLU 0.17 0.50 1 94 GLU 1.75 1.80 1 95 THR 4.11 2.64 1 104 LYS -1.84 -4.68 1 106 ASP 1.69 0.34 1 107 LYS -0.77 -1.83 1 114 ALA -4.11 -1.22 1 116 ARG -3.05 -3.37 1 135 THR -1.35 0.87 1 137 ALA -3.65 -0.92 1 138 ASP -1.51 -0.52 1 139 LYS 3.45 1.93 1 140 ALA 1.43 0.52 1 141 SER 0.09 -0.35 1 142 ALA 0.58 -0.47 1 143 ASN 3.45 1.68 1 144 ARG -1.34 -1.27 1 146 VAL 2.59 0.88 1 158 ARG 4.64 2.74 1 160 VAL 3.30 -0.78 1 161 THR -1.33 -1.80 1 162 LYS 1.14 0.11 1 163 THR 0.39 1.79 1 164 ASN -6.79 -0.97 1 165 THR 5.47 3.89 1 166 THR -1.15 0.07 1 167 ASP -1.40 -0.54 1 168 VAL 4.72 2.36 1 169 ALA -0.65 -1.23 1 170 THR 2.24 0.97 1 171 PHE 5.04 2.87 1 172 LYS -6.25 -1.97 1 173 SER 0.52 -0.99 1 174 VAL 2.96 1.01 1 175 ASN 0.40 1.65 1 176 TYR -0.31 0.30 1 184 ASN 2.66 0.23 1 186 LYS -3.64 -2.36 1 187 ILE -2.63 -2.56 1 188 ASP -2.24 -2.72 1 189 TYR 0.28 0.67 1 190 GLN 6.21 2.71 1 192 THR -3.60 -1.27 1 194 ALA -0.94 0.28 1 195 ARG 0.69 -0.89 1 196 LYS 0.47 0.80 1 197 HIS -4.36 -1.14 1 198 THR -0.59 0.45 1 199 SER 3.76 2.17 1 200 ASP -0.47 -0.42 1 201 THR -1.37 -4.39 1 203 PHE 0.55 -1.61 1 204 ASP -3.45 -2.15 1 205 VAL 0.46 -2.38 1 206 SER 4.61 3.80 1 213 LYS 1.53 -0.35 1 214 VAL -4.64 -2.47 1 216 ILE 4.13 2.33 1 222 ASN -5.45 -0.50 1 223 ALA 3.75 2.49 1 228 ALA 3.96 1.96 1 229 LYS 3.55 2.87 1 230 ALA 2.90 1.72 1 231 LEU 3.23 -0.82 1 233 ASP 4.14 2.20 1 234 ALA -1.07 -1.07 1 236 TYR 6.18 3.35 1 237 ASP 0.50 2.35 1 242 ALA -0.40 -3.15 1 244 VAL -2.35 -3.55 1 246 ASN 2.07 -2.63 1 248 ASN -0.69 0.27 1 249 LEU -3.70 -1.55 1 250 TYR 0.41 0.86 1 251 LYS 4.96 3.57 1 252 SER 4.36 2.73 1 253 VAL 6.06 4.06 1 254 PHE 3.68 2.46 1 255 ASP 3.96 3.24 1 256 THR 5.64 4.91 1 257 LEU 6.10 2.08 1 258 ALA 4.20 2.54 1 259 THR 5.47 4.29 1 260 ALA 3.98 1.73 1 261 ALA 2.71 1.36 1 262 LYS 2.15 1.26 1 263 THR -0.50 -0.83 1 265 THR 3.04 1.88 1 266 ALA -1.95 -1.10 1 267 VAL -2.96 -1.62 1 271 SER -1.91 -2.58 1 272 ARG 1.59 -1.15 1 273 VAL -4.12 -1.92 1 275 THR -4.68 -2.42 1 277 ALA -3.04 -2.70 1 278 THR 4.69 0.95 1 279 THR -1.52 -1.36 1 280 GLN -0.23 -0.01 1 281 ASP -0.88 -1.85 1 282 ALA -0.37 -1.07 1 283 GLU 1.16 0.83 1 284 VAL -2.95 -3.13 1 285 ASP 0.66 -2.17 1 286 ASP 5.22 4.57 1 287 ALA 2.90 1.43 1 288 LYS 2.55 1.48 1 289 TYR 2.07 0.51 1 291 PHE -5.16 -5.69 1 292 VAL -3.54 -2.22 1 293 ALA -1.81 -1.65 1 296 THR 2.05 1.28 1 297 LEU 1.04 -0.31 1 298 ASN 1.06 -1.87 1 301 LYS 2.21 2.97 1 311 THR 0.67 1.39 1 312 GLN -1.79 -0.44 1 313 THR 0.18 -1.93 1 314 LYS -2.22 -2.28 1 315 ASP -2.24 -1.13 1 317 GLN 4.45 2.97 1 318 GLN 2.58 2.00 1 319 ILE 7.32 4.87 1 320 GLN 3.73 2.46 1 321 GLN 5.22 3.27 1 322 ILE 6.26 4.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27589_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.85 _LACS_plot.Line_1_terminator_val_y_1 6.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 7.31 _LACS_plot.Line_2_terminator_val_y_2 -2.59 _LACS_plot.Y_axis_chem_shift_offset 0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 VAL -8.97 6.42 0 112 VAL -9.85 6.80 0 35 LEU 4.15 -1.44 1 36 VAL 4.72 -2.65 1 37 ASN 2.22 -0.23 1 38 ALA 2.69 -1.33 1 39 VAL -0.12 -1.03 1 41 GLN 5.85 -2.79 1 42 LEU 3.12 -0.71 1 43 LYS 2.63 -1.42 1 44 ASP 0.95 -0.28 1 45 ILE -1.66 0.39 1 46 ALA -4.40 2.59 1 47 ASN 0.03 -1.31 1 48 VAL -0.78 -0.58 1 49 LYS -4.50 2.36 1 51 GLU -5.07 3.28 1 52 GLN 2.26 -3.30 1 53 VAL 3.26 -0.96 1 54 VAL -5.46 2.31 1 55 ASN -0.73 -0.31 1 59 GLN 6.17 -4.29 1 60 ASP -0.39 -0.24 1 61 MET 1.60 -2.59 1 62 ASN -3.82 2.47 1 63 ASP 1.80 -0.02 1 64 ASN 3.82 -0.79 1 65 VAL 5.41 -1.89 1 66 TRP 4.40 -3.18 1 67 LEU 3.39 -0.63 1 68 THR 5.76 -1.09 1 69 LEU 0.77 -1.17 1 70 ALA 2.98 -1.38 1 71 LYS 3.12 -0.25 1 72 LYS 3.30 -1.35 1 73 ILE -3.10 0.22 1 74 ASN 4.58 -2.49 1 75 THR 5.27 -1.40 1 76 ASP 2.50 -2.16 1 78 ASP 2.60 -1.68 1 79 LYS -0.68 -0.34 1 80 THR -3.16 0.27 1 81 ASP 1.29 -0.40 1 83 PHE -2.72 1.92 1 85 ILE -6.46 0.33 1 87 HIS -5.06 4.70 1 92 MET 3.38 0.52 1 93 GLU 0.17 0.33 1 94 GLU 1.75 0.05 1 95 THR 4.11 -1.47 1 104 LYS -1.84 -2.84 1 106 ASP 1.69 -1.35 1 107 LYS -0.77 -1.06 1 114 ALA -4.11 2.89 1 116 ARG -3.05 -0.32 1 135 THR -1.35 2.22 1 137 ALA -3.65 2.73 1 138 ASP -1.51 0.99 1 139 LYS 3.45 -1.52 1 140 ALA 1.43 -0.91 1 141 SER 0.09 -0.44 1 142 ALA 0.58 -1.05 1 143 ASN 3.45 -1.77 1 144 ARG -1.34 0.07 1 146 VAL 2.59 -1.71 1 158 ARG 4.64 -1.90 1 160 VAL 3.30 -4.08 1 161 THR -1.33 -0.47 1 162 LYS 1.14 -1.03 1 163 THR 0.39 1.40 1 164 ASN -6.79 5.82 1 165 THR 5.47 -1.58 1 166 THR -1.15 1.22 1 167 ASP -1.40 0.86 1 168 VAL 4.72 -2.36 1 169 ALA -0.65 -0.58 1 170 THR 2.24 -1.27 1 171 PHE 5.04 -2.17 1 172 LYS -6.25 4.28 1 173 SER 0.52 -1.51 1 174 VAL 2.96 -1.95 1 175 ASN 0.40 1.25 1 176 TYR -0.31 0.61 1 184 ASN 2.66 -2.43 1 186 LYS -3.64 1.28 1 187 ILE -2.63 0.07 1 188 ASP -2.24 -0.48 1 189 TYR 0.28 0.39 1 190 GLN 6.21 -3.50 1 192 THR -3.60 2.33 1 194 ALA -0.94 1.22 1 195 ARG 0.69 -1.58 1 196 LYS 0.47 0.33 1 197 HIS -4.36 3.22 1 198 THR -0.59 1.04 1 199 SER 3.76 -1.59 1 200 ASP -0.47 0.05 1 201 THR -1.37 -3.02 1 203 PHE 0.55 -2.16 1 204 ASP -3.45 1.30 1 205 VAL 0.46 -2.84 1 206 SER 4.61 -0.81 1 213 LYS 1.53 -1.88 1 214 VAL -4.64 2.17 1 216 ILE 4.13 -1.80 1 222 ASN -5.45 4.95 1 223 ALA 3.75 -1.26 1 228 ALA 3.96 -2.00 1 229 LYS 3.55 -0.68 1 230 ALA 2.90 -1.18 1 231 LEU 3.23 -4.05 1 233 ASP 4.14 -1.94 1 234 ALA -1.07 0.00 1 236 TYR 6.18 -2.83 1 237 ASP 0.50 1.85 1 242 ALA -0.40 -2.75 1 244 VAL -2.35 -1.20 1 246 ASN 2.07 -4.70 1 248 ASN -0.69 0.96 1 249 LEU -3.70 2.15 1 250 TYR 0.41 0.45 1 251 LYS 4.96 -1.39 1 252 SER 4.36 -1.63 1 253 VAL 6.06 -2.00 1 254 PHE 3.68 -1.22 1 255 ASP 3.96 -0.72 1 256 THR 5.64 -0.73 1 257 LEU 6.10 -4.02 1 258 ALA 4.20 -1.66 1 259 THR 5.47 -1.18 1 260 ALA 3.98 -2.25 1 261 ALA 2.71 -1.35 1 262 LYS 2.15 -0.89 1 263 THR -0.50 -0.33 1 265 THR 3.04 -1.16 1 266 ALA -1.95 0.85 1 267 VAL -2.96 1.34 1 271 SER -1.91 -0.67 1 272 ARG 1.59 -2.74 1 273 VAL -4.12 2.20 1 275 THR -4.68 2.26 1 277 ALA -3.04 0.34 1 278 THR 4.69 -3.74 1 279 THR -1.52 0.16 1 280 GLN -0.23 0.22 1 281 ASP -0.88 -0.97 1 282 ALA -0.37 -0.70 1 283 GLU 1.16 -0.33 1 284 VAL -2.95 -0.18 1 285 ASP 0.66 -2.83 1 286 ASP 5.22 -0.65 1 287 ALA 2.90 -1.47 1 288 LYS 2.55 -1.07 1 289 TYR 2.07 -1.56 1 291 PHE -5.16 -0.53 1 292 VAL -3.54 1.32 1 293 ALA -1.81 0.16 1 296 THR 2.05 -0.77 1 297 LEU 1.04 -1.35 1 298 ASN 1.06 -2.93 1 301 LYS 2.21 0.76 1 311 THR 0.67 0.72 1 312 GLN -1.79 1.35 1 313 THR 0.18 -2.11 1 314 LYS -2.22 -0.06 1 315 ASP -2.24 1.11 1 317 GLN 4.45 -1.48 1 318 GLN 2.58 -0.58 1 319 ILE 7.32 -2.45 1 320 GLN 3.73 -1.27 1 321 GLN 5.22 -1.95 1 322 ILE 6.26 -1.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27589_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.85 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 7.31 _LACS_plot.Line_2_terminator_val_y_2 1.34 _LACS_plot.Y_axis_chem_shift_offset 0.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 192 THR -3.60 4.96 0 35 LEU 4.15 -0.70 1 36 VAL 4.72 0.14 1 37 ASN 2.22 1.07 1 38 ALA 2.69 -0.24 1 39 VAL -0.12 2.39 1 41 GLN 5.85 1.82 1 42 LEU 3.12 0.21 1 43 LYS 2.63 -0.65 1 44 ASP 0.95 -0.79 1 45 ILE -1.66 -2.19 1 46 ALA -4.40 -4.05 1 47 ASN 0.03 -0.94 1 48 VAL -0.78 -1.70 1 49 LYS -4.50 -2.43 1 51 GLU -5.07 -3.35 1 52 GLN 2.26 -1.49 1 53 VAL 3.26 -1.56 1 54 VAL -5.46 -3.58 1 55 ASN -0.73 1.38 1 59 GLN 6.17 -2.86 1 60 ASP -0.39 -1.51 1 61 MET 1.60 -4.53 1 62 ASN -3.82 -2.39 1 63 ASP 1.80 0.42 1 64 ASN 3.82 2.87 1 65 VAL 5.41 0.61 1 66 TRP 4.40 0.60 1 67 LEU 3.39 0.30 1 69 LEU 0.77 -2.88 1 70 ALA 2.98 -0.33 1 71 LYS 3.12 2.48 1 72 LYS 3.30 0.08 1 73 ILE -3.10 0.32 1 74 ASN 4.58 2.91 1 75 THR 5.27 0.82 1 76 ASP 2.50 -0.23 1 78 ASP 2.60 -0.24 1 79 LYS -0.68 -2.34 1 80 THR -3.16 -4.56 1 81 ASP 1.29 -0.04 1 83 PHE -2.72 -2.13 1 84 VAL -8.97 -1.02 1 85 ILE -6.46 -0.47 1 87 HIS -5.06 -0.34 1 92 MET 3.38 -0.81 1 93 GLU 0.17 -1.61 1 94 GLU 1.75 -1.80 1 95 THR 4.11 1.12 1 104 LYS -1.84 -2.19 1 106 ASP 1.69 -0.24 1 107 LYS -0.77 -1.39 1 112 VAL -9.85 -1.65 1 114 ALA -4.11 -1.34 1 116 ARG -3.05 -3.42 1 135 THR -1.35 -0.70 1 137 ALA -3.65 -2.28 1 138 ASP -1.51 1.43 1 139 LYS 3.45 2.12 1 140 ALA 1.43 -0.02 1 141 SER 0.09 -2.17 1 142 ALA 0.58 -2.48 1 143 ASN 3.45 -0.04 1 144 ARG -1.34 -1.64 1 146 VAL 2.59 -1.65 1 160 VAL 3.30 -3.20 1 162 LYS 1.14 -1.85 1 163 THR 0.39 0.29 1 164 ASN -6.79 0.68 1 165 THR 5.47 -0.44 1 166 THR -1.15 -0.76 1 167 ASP -1.40 1.34 1 168 VAL 4.72 1.36 1 169 ALA -0.65 -2.45 1 170 THR 2.24 0.06 1 171 PHE 5.04 -1.50 1 172 LYS -6.25 -2.34 1 173 SER 0.52 2.15 1 174 VAL 2.96 -0.04 1 175 ASN 0.40 1.22 1 176 TYR -0.31 -1.91 1 184 ASN 2.66 -0.70 1 186 LYS -3.64 -2.02 1 187 ILE -2.63 -1.40 1 188 ASP -2.24 -0.58 1 189 TYR 0.28 -0.03 1 190 GLN 6.21 1.55 1 194 ALA -0.94 1.08 1 195 ARG 0.69 -0.04 1 196 LYS 0.47 -2.00 1 197 HIS -4.36 -0.08 1 198 THR -0.59 2.21 1 199 SER 3.76 -0.11 1 200 ASP -0.47 -1.31 1 201 THR -1.37 -2.43 1 203 PHE 0.55 -2.39 1 204 ASP -3.45 0.28 1 205 VAL 0.46 -0.53 1 206 SER 4.61 3.31 1 213 LYS 1.53 -1.03 1 214 VAL -4.64 -1.83 1 222 ASN -5.45 -0.07 1 223 ALA 3.75 -0.36 1 228 ALA 3.96 -0.09 1 229 LYS 3.55 0.72 1 230 ALA 2.90 -0.30 1 231 LEU 3.23 -1.32 1 233 ASP 4.14 0.42 1 234 ALA -1.07 -0.68 1 236 TYR 6.18 -1.45 1 237 ASP 0.50 -0.10 1 244 VAL -2.35 -1.17 1 246 ASN 2.07 -0.41 1 248 ASN -0.69 -1.74 1 249 LEU -3.70 -3.09 1 250 TYR 0.41 1.98 1 251 LYS 4.96 -0.86 1 252 SER 4.36 1.74 1 253 VAL 6.06 0.20 1 254 PHE 3.68 1.11 1 255 ASP 3.96 2.23 1 256 THR 5.64 1.93 1 257 LEU 6.10 0.06 1 258 ALA 4.20 2.63 1 259 THR 5.47 1.16 1 260 ALA 3.98 1.43 1 261 ALA 2.71 2.98 1 262 LYS 2.15 0.22 1 263 THR -0.50 -0.45 1 265 THR 3.04 -2.35 1 266 ALA -1.95 -2.44 1 267 VAL -2.96 -2.32 1 271 SER -1.91 -0.65 1 272 ARG 1.59 -1.65 1 273 VAL -4.12 -0.64 1 275 THR -4.68 -1.82 1 277 ALA -3.04 -0.13 1 278 THR 4.69 1.67 1 279 THR -1.52 1.78 1 280 GLN -0.23 -0.27 1 281 ASP -0.88 -3.14 1 282 ALA -0.37 -0.20 1 283 GLU 1.16 -0.67 1 284 VAL -2.95 -1.30 1 285 ASP 0.66 -1.94 1 286 ASP 5.22 1.92 1 287 ALA 2.90 1.36 1 288 LYS 2.55 0.30 1 289 TYR 2.07 -1.28 1 291 PHE -5.16 -0.88 1 292 VAL -3.54 -3.10 1 293 ALA -1.81 0.94 1 298 ASN 1.06 -2.59 1 301 LYS 2.21 0.73 1 311 THR 0.67 -0.61 1 312 GLN -1.79 -1.29 1 313 THR 0.18 -5.91 1 314 LYS -2.22 -1.06 1 315 ASP -2.24 -0.48 1 317 GLN 4.45 3.12 1 318 GLN 2.58 2.96 1 319 ILE 7.32 1.22 1 320 GLN 3.73 1.45 1 321 GLN 5.22 1.59 1 322 ILE 6.26 2.04 1 stop_ save_