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 bmr26836_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 7.28 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 196 PHE 6.56 0.39 0 10 LYS 6.42 3.48 1 11 GLU 3.39 3.41 1 12 PHE 4.71 5.10 1 13 GLU 3.44 3.32 1 14 GLN 4.87 3.71 1 15 ILE 4.96 4.32 1 16 ASP 3.12 4.19 1 17 LYS 3.96 3.03 1 18 SER -0.04 0.78 1 20 SER 1.15 1.08 1 21 TRP 3.43 3.32 1 22 ALA 4.87 3.53 1 23 ALA 4.11 3.16 1 24 ILE 4.37 3.15 1 25 TYR 4.98 4.98 1 26 GLN 4.93 3.31 1 27 ASP 4.99 4.30 1 28 ILE 5.93 4.38 1 29 ARG 5.29 4.34 1 30 HIS 2.62 3.56 1 31 GLU -0.80 0.22 1 32 ALA 0.59 0.88 1 33 SER 0.01 1.34 1 34 ASP -2.57 0.07 1 35 PHE -1.80 0.16 1 38 ARG 4.69 4.35 1 39 VAL 7.37 5.20 1 40 ALA 0.65 2.75 1 41 LYS -0.21 -0.46 1 42 LEU 2.16 1.54 1 44 LYS 3.90 2.21 1 45 ASN -0.37 0.39 1 46 LYS 5.69 5.07 1 47 ASN 2.21 0.52 1 48 ARG 0.03 0.58 1 49 ASN -2.76 -0.04 1 50 ARG 3.70 3.73 1 51 TYR -2.89 -1.21 1 52 ARG 3.62 2.64 1 53 ASP 0.16 -0.34 1 54 VAL 1.31 1.05 1 55 SER -2.20 -0.19 1 57 PHE -1.48 -1.53 1 58 ASP 5.38 5.26 1 59 HIS 3.21 4.68 1 60 SER -2.58 -2.16 1 61 ARG 2.39 0.22 1 62 ILE -0.68 -3.25 1 63 LYS -0.41 -0.53 1 64 LEU -0.28 -0.39 1 65 HIS 1.42 -0.31 1 66 GLN -2.81 -0.58 1 67 GLU 1.17 1.89 1 68 ASP 2.73 2.96 1 69 ASN 1.47 0.86 1 70 ASP -1.38 -0.37 1 71 TYR 3.07 3.54 1 72 ILE -5.05 -1.72 1 73 ASN 2.74 0.00 1 74 ALA -4.26 -0.11 1 75 SER -3.96 -0.27 1 76 LEU -0.18 -0.35 1 77 ILE 0.88 -0.28 1 78 LYS -1.42 -0.80 1 79 MET 0.21 -2.75 1 80 GLU 4.12 4.11 1 81 GLU 3.94 3.04 1 82 ALA 0.84 0.93 1 83 GLN 3.98 0.91 1 84 ARG -5.42 -0.83 1 85 SER -3.95 -1.16 1 86 TYR -6.99 -2.09 1 87 ILE -0.43 -0.09 1 88 LEU -2.56 -0.86 1 89 THR -5.90 -3.44 1 90 GLN -1.55 -2.47 1 93 LEU 0.38 0.86 1 95 ASN 2.74 1.29 1 96 THR -0.59 -0.42 1 99 HIS -1.28 2.52 1 100 PHE 5.94 4.77 1 109 SER 4.13 3.54 1 110 ARG -1.87 -0.44 1 112 VAL -4.11 -1.26 1 115 LEU -1.27 -0.43 1 116 ASN -3.65 -0.80 1 118 VAL 5.73 4.82 1 123 SER -2.06 -0.37 1 124 LEU 1.80 1.01 1 127 ALA -0.26 -0.30 1 128 GLN 2.97 0.19 1 129 TYR -0.56 -1.09 1 130 TRP -2.61 -1.57 1 137 GLU -5.53 -1.92 1 138 MET -5.32 0.36 1 139 ILE -1.88 -0.63 1 140 PHE 0.94 -0.68 1 141 GLU 2.87 2.91 1 142 ASP 4.43 2.12 1 143 THR -0.34 -0.89 1 144 ASN 1.94 1.17 1 145 LEU -5.16 -1.09 1 147 LEU -7.73 -1.87 1 148 THR -1.78 0.15 1 149 LEU 0.45 0.75 1 150 ILE 2.53 0.67 1 151 SER -2.09 -0.02 1 152 GLU -4.70 -0.17 1 153 ASP -1.71 -0.43 1 154 ILE 1.87 1.66 1 155 LYS -1.63 -1.80 1 157 TYR -1.67 -1.57 1 158 TYR -3.78 -1.39 1 159 THR -4.29 -0.24 1 160 VAL -3.29 -1.89 1 167 ASN 0.13 -0.59 1 168 LEU 3.69 2.28 1 169 THR 4.72 3.92 1 170 THR -0.32 0.45 1 171 GLN 5.93 2.82 1 172 GLU -3.51 0.12 1 173 THR -3.73 -1.07 1 177 LEU 3.69 2.63 1 182 THR 2.31 1.62 1 183 THR -0.09 -0.93 1 186 ASP 2.77 3.19 1 187 PHE -2.36 -0.58 1 189 VAL 0.45 -1.61 1 191 GLU 1.73 1.92 1 192 SER -3.19 -2.81 1 194 ALA 1.02 1.35 1 195 SER 0.95 1.25 1 197 ALA 5.31 3.26 1 198 ASN 2.45 2.60 1 201 PHE -3.23 -2.37 1 202 LYS 6.37 1.74 1 204 ARG 4.44 4.47 1 205 GLU 2.39 2.47 1 206 SER -0.39 2.34 1 208 SER 4.69 5.25 1 209 LEU 1.41 -0.40 1 210 SER 0.41 1.05 1 212 GLU 2.21 1.38 1 213 HIS -5.49 -0.35 1 216 VAL 0.93 -0.23 1 217 VAL 0.13 -0.12 1 218 VAL -2.83 -1.61 1 219 HIS -5.22 0.95 1 226 ARG 5.16 4.26 1 229 THR 6.15 5.39 1 232 LEU 2.93 3.56 1 233 ALA 5.31 3.03 1 234 ASP 4.17 4.66 1 235 THR 9.26 7.78 1 237 LEU 4.15 3.41 1 239 LEU 3.57 3.39 1 240 MET 3.99 4.71 1 241 ASP 0.20 2.14 1 242 LYS 1.45 2.34 1 243 ARG 2.94 3.34 1 247 SER 2.26 2.38 1 248 SER 0.10 1.21 1 249 VAL 3.05 1.83 1 250 ASP -3.19 -1.95 1 251 ILE 5.82 4.93 1 252 LYS 6.67 4.61 1 253 LYS 4.13 3.69 1 254 VAL 6.27 4.81 1 255 LEU 5.15 3.56 1 256 LEU 3.99 3.70 1 259 ARG 3.03 2.74 1 260 LYS 4.50 3.16 1 261 PHE 0.14 2.25 1 262 ARG -0.39 1.20 1 263 MET 0.72 0.42 1 265 LEU 1.69 1.23 1 267 GLN -1.54 2.32 1 268 THR -7.47 -3.40 1 269 ALA 3.88 2.52 1 270 ASP 3.93 3.09 1 271 GLN 4.48 3.84 1 272 LEU 4.98 4.02 1 273 ARG 5.56 4.07 1 274 PHE 4.21 4.53 1 275 SER 4.43 4.13 1 277 LEU 3.18 3.30 1 278 ALA 4.83 3.09 1 283 ALA 3.78 2.71 1 284 LYS 4.29 3.55 1 285 PHE 3.06 2.31 1 286 ILE 2.65 2.52 1 287 MET 1.01 0.99 1 289 ASP -0.06 0.64 1 290 SER 1.72 1.76 1 291 SER 1.31 1.37 1 292 VAL 1.95 1.34 1 293 GLN -0.21 0.07 1 294 ASP 1.79 1.65 1 295 GLN 2.30 1.86 1 296 TRP 1.53 1.16 1 297 LYS 1.82 1.68 1 298 GLU 0.77 0.86 1 299 LEU 1.11 0.89 1 300 SER 0.23 0.58 1 303 ASP 0.51 0.85 1 304 LEU 0.43 0.35 1 305 GLU -2.77 -2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26836_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 5.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 -1.98 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 196 PHE 6.56 -6.17 0 10 LYS 6.42 -2.94 1 11 GLU 3.39 0.02 1 12 PHE 4.71 0.39 1 13 GLU 3.44 -0.12 1 14 GLN 4.87 -1.16 1 15 ILE 4.96 -0.64 1 16 ASP 3.12 1.07 1 17 LYS 3.96 -0.93 1 18 SER -0.04 0.82 1 20 SER 1.15 -0.07 1 21 TRP 3.43 -0.11 1 22 ALA 4.87 -1.34 1 23 ALA 4.11 -0.95 1 24 ILE 4.37 -1.22 1 25 TYR 4.98 0.00 1 26 GLN 4.93 -1.62 1 27 ASP 4.99 -0.69 1 28 ILE 5.93 -1.55 1 29 ARG 5.29 -0.95 1 30 HIS 2.62 0.94 1 31 GLU -0.80 1.02 1 32 ALA 0.59 0.29 1 33 SER 0.01 1.33 1 34 ASP -2.57 2.64 1 35 PHE -1.80 1.96 1 38 ARG 4.69 -0.34 1 39 VAL 7.37 -2.17 1 40 ALA 0.65 2.10 1 41 LYS -0.21 -0.25 1 42 LEU 2.16 -0.62 1 44 LYS 3.90 -1.69 1 45 ASN -0.37 0.76 1 46 LYS 5.69 -0.62 1 47 ASN 2.21 -1.69 1 48 ARG 0.03 0.55 1 49 ASN -2.76 2.72 1 50 ARG 3.70 0.03 1 51 TYR -2.89 1.68 1 52 ARG 3.62 -0.98 1 53 ASP 0.16 -0.50 1 54 VAL 1.31 -0.26 1 55 SER -2.20 2.01 1 57 PHE -1.48 -0.05 1 58 ASP 5.38 -0.12 1 59 HIS 3.21 1.47 1 60 SER -2.58 0.42 1 61 ARG 2.39 -2.17 1 62 ILE -0.68 -2.57 1 63 LYS -0.41 -0.12 1 64 LEU -0.28 -0.11 1 65 HIS 1.42 -1.73 1 66 GLN -2.81 2.23 1 67 GLU 1.17 0.72 1 68 ASP 2.73 0.23 1 69 ASN 1.47 -0.61 1 70 ASP -1.38 1.01 1 71 TYR 3.07 0.47 1 72 ILE -5.05 3.33 1 73 ASN 2.74 -2.74 1 74 ALA -4.26 4.15 1 75 SER -3.96 3.69 1 76 LEU -0.18 -0.17 1 77 ILE 0.88 -1.16 1 78 LYS -1.42 0.62 1 79 MET 0.21 -2.96 1 80 GLU 4.12 -0.01 1 81 GLU 3.94 -0.90 1 82 ALA 0.84 0.09 1 83 GLN 3.98 -3.07 1 84 ARG -5.42 4.59 1 85 SER -3.95 2.79 1 86 TYR -6.99 4.90 1 87 ILE -0.43 0.34 1 88 LEU -2.56 1.70 1 89 THR -5.90 2.46 1 90 GLN -1.55 -0.92 1 93 LEU 0.38 0.48 1 95 ASN 2.74 -1.45 1 96 THR -0.59 0.17 1 99 HIS -1.28 3.80 1 100 PHE 5.94 -1.17 1 109 SER 4.13 -0.59 1 110 ARG -1.87 1.43 1 112 VAL -4.11 2.85 1 115 LEU -1.27 0.84 1 116 ASN -3.65 2.85 1 118 VAL 5.73 -0.91 1 123 SER -2.06 1.69 1 124 LEU 1.80 -0.79 1 127 ALA -0.26 -0.04 1 128 GLN 2.97 -2.78 1 129 TYR -0.56 -0.53 1 130 TRP -2.61 1.04 1 137 GLU -5.53 3.61 1 138 MET -5.32 5.68 1 139 ILE -1.88 1.25 1 140 PHE 0.94 -1.62 1 141 GLU 2.87 0.04 1 142 ASP 4.43 -2.31 1 143 THR -0.34 -0.55 1 144 ASN 1.94 -0.77 1 145 LEU -5.16 4.07 1 147 LEU -7.73 5.86 1 148 THR -1.78 1.93 1 149 LEU 0.45 0.30 1 150 ILE 2.53 -1.86 1 151 SER -2.09 2.07 1 152 GLU -4.70 4.53 1 153 ASP -1.71 1.28 1 154 ILE 1.87 -0.21 1 155 LYS -1.63 -0.17 1 157 TYR -1.67 0.10 1 158 TYR -3.78 2.39 1 159 THR -4.29 4.05 1 160 VAL -3.29 1.40 1 167 ASN 0.13 -0.72 1 168 LEU 3.69 -1.41 1 169 THR 4.72 -0.80 1 170 THR -0.32 0.77 1 171 GLN 5.93 -3.11 1 172 GLU -3.51 3.63 1 173 THR -3.73 2.66 1 177 LEU 3.69 -1.06 1 182 THR 2.31 -0.69 1 183 THR -0.09 -0.84 1 186 ASP 2.77 0.42 1 187 PHE -2.36 1.78 1 189 VAL 0.45 -2.06 1 191 GLU 1.73 0.19 1 192 SER -3.19 0.38 1 194 ALA 1.02 0.33 1 195 SER 0.95 0.30 1 197 ALA 5.31 -2.05 1 198 ASN 2.45 0.15 1 201 PHE -3.23 0.86 1 202 LYS 6.37 -4.63 1 204 ARG 4.44 0.03 1 205 GLU 2.39 0.08 1 206 SER -0.39 2.73 1 208 SER 4.69 0.56 1 209 LEU 1.41 -1.81 1 210 SER 0.41 0.64 1 212 GLU 2.21 -0.83 1 213 HIS -5.49 5.14 1 216 VAL 0.93 -1.16 1 217 VAL 0.13 -0.25 1 218 VAL -2.83 1.22 1 219 HIS -5.22 6.17 1 226 ARG 5.16 -0.90 1 229 THR 6.15 -0.76 1 232 LEU 2.93 0.63 1 233 ALA 5.31 -2.28 1 234 ASP 4.17 0.49 1 235 THR 9.26 -1.48 1 237 LEU 4.15 -0.74 1 239 LEU 3.57 -0.18 1 240 MET 3.99 0.72 1 241 ASP 0.20 1.94 1 242 LYS 1.45 0.89 1 243 ARG 2.94 0.40 1 247 SER 2.26 0.12 1 248 SER 0.10 1.11 1 249 VAL 3.05 -1.22 1 250 ASP -3.19 1.24 1 251 ILE 5.82 -0.89 1 252 LYS 6.67 -2.06 1 253 LYS 4.13 -0.44 1 254 VAL 6.27 -1.46 1 255 LEU 5.15 -1.59 1 256 LEU 3.99 -0.29 1 259 ARG 3.03 -0.29 1 260 LYS 4.50 -1.34 1 261 PHE 0.14 2.11 1 262 ARG -0.39 1.59 1 263 MET 0.72 -0.30 1 265 LEU 1.69 -0.46 1 267 GLN -1.54 3.86 1 268 THR -7.47 4.07 1 269 ALA 3.88 -1.36 1 270 ASP 3.93 -0.84 1 271 GLN 4.48 -0.64 1 272 LEU 4.98 -0.96 1 273 ARG 5.56 -1.49 1 274 PHE 4.21 0.32 1 275 SER 4.43 -0.30 1 277 LEU 3.18 0.12 1 278 ALA 4.83 -1.74 1 283 ALA 3.78 -1.07 1 284 LYS 4.29 -0.74 1 285 PHE 3.06 -0.75 1 286 ILE 2.65 -0.13 1 287 MET 1.01 -0.02 1 289 ASP -0.06 0.70 1 290 SER 1.72 0.04 1 291 SER 1.31 0.06 1 292 VAL 1.95 -0.61 1 293 GLN -0.21 0.28 1 294 ASP 1.79 -0.14 1 295 GLN 2.30 -0.44 1 296 TRP 1.53 -0.37 1 297 LYS 1.82 -0.14 1 298 GLU 0.77 0.09 1 299 LEU 1.11 -0.22 1 300 SER 0.23 0.35 1 303 ASP 0.51 0.34 1 304 LEU 0.43 -0.08 1 305 GLU -2.77 0.77 1 stop_ save_