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 bmr19223_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.91 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 7.12 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 201 PHE 6.59 -2.94 0 10 LYS 7.02 3.56 1 11 GLU 3.44 3.42 1 12 PHE 4.36 5.13 1 13 GLU 3.63 3.37 1 14 GLN 4.75 3.62 1 15 ILE 5.19 4.31 1 16 ASP 3.56 4.15 1 17 LYS 4.11 3.22 1 18 SER -0.14 0.76 1 20 SER 0.94 0.88 1 21 TRP 3.89 3.52 1 22 ALA 4.81 3.52 1 23 ALA 4.09 3.05 1 24 ILE 4.46 2.72 1 25 TYR 4.83 4.84 1 26 GLN 4.96 3.43 1 27 ASP 4.82 4.04 1 28 ILE 5.94 4.36 1 29 ARG 5.42 4.31 1 30 HIS 2.67 3.53 1 31 GLU -0.73 0.27 1 32 ALA 0.62 0.86 1 33 SER 0.18 1.49 1 34 ASP -2.56 0.07 1 35 PHE -1.78 0.13 1 38 ARG 4.69 4.34 1 39 VAL 7.55 5.27 1 40 ALA 0.62 2.67 1 41 LYS 0.00 -0.36 1 42 LEU 2.11 1.49 1 44 LYS 4.13 2.33 1 45 ASN -0.41 0.41 1 46 LYS 5.70 5.08 1 47 ASN 2.08 0.47 1 48 ARG 0.14 0.69 1 49 ASN -2.85 -0.06 1 50 ARG 3.43 3.64 1 51 TYR -2.73 -1.21 1 52 ARG 3.55 2.74 1 53 ASP 0.13 -0.34 1 54 VAL 1.34 1.07 1 55 SER -2.19 -0.23 1 57 PHE -1.51 -1.53 1 58 ASP 5.39 5.30 1 59 HIS 3.27 4.79 1 60 SER -2.58 -2.19 1 61 ARG 2.31 0.17 1 62 ILE -0.59 -3.21 1 63 LYS -0.37 -0.50 1 64 LEU -0.40 -0.51 1 65 HIS 1.39 -0.32 1 66 GLN -2.81 -0.56 1 67 GLU 1.21 1.86 1 68 ASP 2.60 2.96 1 69 ASN 1.53 0.91 1 70 ASP -1.41 -0.37 1 71 TYR 3.07 3.55 1 72 ILE -5.11 -1.69 1 73 ASN 2.67 0.00 1 74 ALA -4.36 -0.19 1 75 SER -4.04 -0.23 1 76 LEU -0.28 -0.31 1 77 ILE 0.86 -0.17 1 78 LYS -1.13 -0.65 1 79 MET 0.05 -2.83 1 80 GLU 4.57 4.18 1 81 GLU 3.96 3.07 1 82 ALA 0.43 0.45 1 83 GLN 3.97 1.02 1 84 ARG -6.30 -1.32 1 85 SER -3.83 -1.08 1 86 TYR -7.19 -2.26 1 87 ILE -0.37 -0.05 1 88 LEU -2.53 -0.89 1 89 THR -5.87 -3.44 1 90 GLN -1.69 -2.54 1 93 LEU 0.33 0.85 1 95 ASN 2.73 1.34 1 96 THR -0.63 -0.55 1 99 HIS -1.20 2.54 1 100 PHE 6.00 4.83 1 104 VAL 2.33 1.65 1 105 TRP -2.14 -1.71 1 109 SER 4.04 3.56 1 110 ARG -1.73 -0.42 1 112 VAL -3.99 -1.17 1 114 MET -2.13 -0.72 1 115 LEU -1.10 -0.45 1 116 ASN -3.91 -0.76 1 117 ARG -0.53 0.48 1 118 VAL 6.06 5.19 1 121 LYS 3.08 0.96 1 123 SER -2.00 -0.47 1 124 LEU 1.53 1.04 1 127 ALA -0.34 -0.34 1 128 GLN 3.19 0.32 1 129 TYR -0.31 -0.89 1 130 TRP -2.84 -1.54 1 137 GLU -5.40 -1.84 1 138 MET -5.35 0.33 1 139 ILE -1.92 -0.61 1 140 PHE 1.00 -0.63 1 141 GLU 2.95 2.99 1 142 ASP 4.33 2.11 1 143 THR -0.24 -0.81 1 144 ASN 1.95 1.25 1 145 LEU -5.03 -0.98 1 146 LYS -5.18 -1.40 1 147 LEU -7.91 -1.97 1 148 THR -1.75 0.15 1 149 LEU 0.32 0.74 1 150 ILE 2.46 0.65 1 151 SER -2.02 -0.03 1 152 GLU -4.62 -0.11 1 153 ASP -1.82 -0.55 1 154 ILE 1.81 1.67 1 155 LYS -1.81 -1.79 1 157 TYR -2.09 -1.78 1 158 TYR -3.77 -1.41 1 159 THR -4.24 -0.20 1 160 VAL -3.15 -1.71 1 166 GLU -6.15 -2.62 1 167 ASN 0.08 -0.62 1 168 LEU 3.79 2.32 1 169 THR 4.84 4.01 1 170 THR -0.42 0.47 1 171 GLN 5.90 2.80 1 172 GLU -3.38 0.18 1 173 THR -3.71 -1.05 1 176 ILE -0.14 1.03 1 177 LEU 3.09 2.36 1 178 HIS -7.03 2.85 1 181 TYR -5.35 -1.88 1 182 THR 2.75 -2.83 1 183 THR 3.47 -2.52 1 184 TRP 4.71 5.20 1 186 ASP 2.95 3.31 1 187 PHE -2.34 -0.57 1 189 VAL -0.23 -1.68 1 194 ALA 0.77 1.07 1 195 SER 0.51 0.91 1 196 PHE 5.19 -0.48 1 199 PHE -4.50 -2.58 1 200 LEU 0.49 0.39 1 204 ARG 4.60 4.55 1 205 GLU 2.36 2.55 1 206 SER -0.22 2.46 1 208 SER 4.67 5.29 1 209 LEU 1.34 -0.51 1 210 SER 0.31 1.05 1 212 GLU 2.26 1.44 1 213 HIS -5.27 -0.35 1 216 VAL 1.09 -0.13 1 217 VAL 0.04 -0.12 1 218 VAL -2.74 -1.50 1 219 HIS -5.13 0.95 1 222 ALA -1.92 -0.19 1 224 ILE -0.82 0.97 1 226 ARG -4.64 3.12 1 227 SER -0.08 5.32 1 229 THR 6.55 5.73 1 230 PHE 4.55 5.36 1 232 LEU 3.25 3.75 1 233 ALA 5.40 3.21 1 234 ASP 4.05 4.71 1 235 THR 9.15 7.72 1 237 LEU 4.56 3.54 1 238 LEU 4.82 3.87 1 239 LEU 3.32 3.34 1 240 MET 4.47 4.74 1 241 ASP 0.58 2.38 1 242 LYS 1.91 2.30 1 243 ARG 0.85 1.25 1 244 LYS 5.16 3.57 1 247 SER 2.63 2.57 1 248 SER 0.29 1.37 1 249 VAL 2.69 1.74 1 250 ASP -3.13 -1.86 1 251 ILE 5.53 4.85 1 252 LYS 6.85 4.73 1 253 LYS 4.09 3.62 1 255 LEU 5.11 3.64 1 257 GLU 4.29 3.51 1 258 MET 5.21 6.11 1 259 ARG 2.87 2.59 1 260 LYS 4.57 3.30 1 261 PHE 0.15 2.24 1 262 ARG -0.44 1.22 1 263 MET 0.73 0.42 1 265 LEU 1.90 1.17 1 266 ILE -1.44 2.34 1 267 GLN -7.33 -3.38 1 268 THR 3.86 2.50 1 269 ALA 4.01 3.16 1 270 ASP 4.64 3.89 1 271 GLN 4.89 3.87 1 272 LEU 6.10 4.23 1 273 ARG 4.30 4.57 1 274 PHE 6.52 6.16 1 275 SER -2.53 0.45 1 276 TYR 3.53 3.31 1 277 LEU 5.00 2.73 1 278 ALA 6.95 5.27 1 279 VAL 5.79 5.54 1 280 ILE 3.96 2.78 1 281 GLU 3.29 2.91 1 283 ALA 4.31 3.62 1 284 LYS 2.96 2.85 1 285 PHE 2.97 2.49 1 286 ILE 1.43 0.97 1 287 MET -0.24 0.42 1 289 ASP 1.70 1.75 1 290 SER 1.74 1.90 1 291 SER 7.09 4.60 1 292 VAL 1.26 0.82 1 296 TRP 1.82 1.62 1 297 LYS 1.36 1.17 1 298 GLU 2.02 3.50 1 301 HIS 0.42 0.85 1 302 GLU 0.58 0.86 1 303 ASP 0.30 0.42 1 304 LEU -2.96 -2.16 1 305 GLU -4.09 0.20 1 307 HIS -0.30 1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19223_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.91 _LACS_plot.Line_1_terminator_val_y_1 5.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 -2.02 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 201 PHE 6.59 -9.53 0 10 LYS 7.02 -3.46 1 11 GLU 3.44 -0.02 1 12 PHE 4.36 0.77 1 13 GLU 3.63 -0.26 1 14 GLN 4.75 -1.13 1 15 ILE 5.19 -0.88 1 16 ASP 3.56 0.59 1 17 LYS 4.11 -0.89 1 18 SER -0.14 0.90 1 20 SER 0.94 -0.06 1 21 TRP 3.89 -0.37 1 22 ALA 4.81 -1.29 1 23 ALA 4.09 -1.04 1 24 ILE 4.46 -1.74 1 25 TYR 4.83 0.01 1 26 GLN 4.96 -1.53 1 27 ASP 4.82 -0.78 1 28 ILE 5.94 -1.58 1 29 ARG 5.42 -1.11 1 30 HIS 2.67 0.86 1 31 GLU -0.73 1.00 1 32 ALA 0.62 0.24 1 33 SER 0.18 1.31 1 34 ASP -2.56 2.63 1 35 PHE -1.78 1.91 1 38 ARG 4.69 -0.35 1 39 VAL 7.55 -2.28 1 40 ALA 0.62 2.05 1 41 LYS 0.00 -0.36 1 42 LEU 2.11 -0.62 1 44 LYS 4.13 -1.80 1 45 ASN -0.41 0.82 1 46 LYS 5.70 -0.62 1 47 ASN 2.08 -1.61 1 48 ARG 0.14 0.55 1 49 ASN -2.85 2.79 1 50 ARG 3.43 0.21 1 51 TYR -2.73 1.52 1 52 ARG 3.55 -0.81 1 53 ASP 0.13 -0.47 1 54 VAL 1.34 -0.27 1 55 SER -2.19 1.96 1 57 PHE -1.51 -0.02 1 58 ASP 5.39 -0.09 1 59 HIS 3.27 1.52 1 60 SER -2.58 0.39 1 61 ARG 2.31 -2.14 1 62 ILE -0.59 -2.62 1 63 LYS -0.37 -0.13 1 64 LEU -0.40 -0.11 1 65 HIS 1.39 -1.71 1 66 GLN -2.81 2.25 1 67 GLU 1.21 0.65 1 68 ASP 2.60 0.36 1 69 ASN 1.53 -0.62 1 70 ASP -1.41 1.04 1 71 TYR 3.07 0.48 1 72 ILE -5.11 3.42 1 73 ASN 2.67 -2.67 1 74 ALA -4.36 4.17 1 75 SER -4.04 3.81 1 76 LEU -0.28 -0.03 1 77 ILE 0.86 -1.03 1 78 LYS -1.13 0.48 1 79 MET 0.05 -2.88 1 80 GLU 4.57 -0.39 1 81 GLU 3.96 -0.89 1 82 ALA 0.43 0.02 1 83 GLN 3.97 -2.95 1 84 ARG -6.30 4.98 1 85 SER -3.83 2.75 1 86 TYR -7.19 4.93 1 87 ILE -0.37 0.32 1 88 LEU -2.53 1.64 1 89 THR -5.87 2.43 1 90 GLN -1.69 -0.85 1 93 LEU 0.33 0.52 1 95 ASN 2.73 -1.39 1 96 THR -0.63 0.08 1 99 HIS -1.20 3.74 1 100 PHE 6.00 -1.17 1 104 VAL 2.33 -0.68 1 105 TRP -2.14 0.43 1 109 SER 4.04 -0.48 1 110 ARG -1.73 1.31 1 112 VAL -3.99 2.82 1 114 MET -2.13 1.41 1 115 LEU -1.10 0.65 1 116 ASN -3.91 3.15 1 117 ARG -0.53 1.01 1 118 VAL 6.06 -0.87 1 121 LYS 3.08 -2.12 1 123 SER -2.00 1.53 1 124 LEU 1.53 -0.49 1 127 ALA -0.34 0.00 1 128 GLN 3.19 -2.87 1 129 TYR -0.31 -0.58 1 130 TRP -2.84 1.30 1 137 GLU -5.40 3.56 1 138 MET -5.35 5.68 1 139 ILE -1.92 1.31 1 140 PHE 1.00 -1.63 1 141 GLU 2.95 0.04 1 142 ASP 4.33 -2.22 1 143 THR -0.24 -0.57 1 144 ASN 1.95 -0.70 1 145 LEU -5.03 4.05 1 146 LYS -5.18 3.78 1 147 LEU -7.91 5.94 1 148 THR -1.75 1.90 1 149 LEU 0.32 0.42 1 150 ILE 2.46 -1.81 1 151 SER -2.02 1.99 1 152 GLU -4.62 4.51 1 153 ASP -1.82 1.27 1 154 ILE 1.81 -0.14 1 155 LYS -1.81 0.02 1 157 TYR -2.09 0.31 1 158 TYR -3.77 2.36 1 159 THR -4.24 4.04 1 160 VAL -3.15 1.44 1 166 GLU -6.15 3.53 1 167 ASN 0.08 -0.70 1 168 LEU 3.79 -1.47 1 169 THR 4.84 -0.83 1 170 THR -0.42 0.89 1 171 GLN 5.90 -3.10 1 172 GLU -3.38 3.56 1 173 THR -3.71 2.66 1 176 ILE -0.14 1.17 1 177 LEU 3.09 -0.73 1 178 HIS -7.03 9.88 1 181 TYR -5.35 3.47 1 182 THR 2.75 -5.58 1 183 THR 3.47 -5.99 1 184 TRP 4.71 0.49 1 186 ASP 2.95 0.36 1 187 PHE -2.34 1.77 1 189 VAL -0.23 -1.45 1 194 ALA 0.77 0.30 1 195 SER 0.51 0.40 1 196 PHE 5.19 -5.67 1 199 PHE -4.50 1.92 1 200 LEU 0.49 -0.10 1 204 ARG 4.60 -0.05 1 205 GLU 2.36 0.19 1 206 SER -0.22 2.68 1 208 SER 4.67 0.62 1 209 LEU 1.34 -1.85 1 210 SER 0.31 0.74 1 212 GLU 2.26 -0.82 1 213 HIS -5.27 4.92 1 216 VAL 1.09 -1.22 1 217 VAL 0.04 -0.16 1 218 VAL -2.74 1.24 1 219 HIS -5.13 6.08 1 222 ALA -1.92 1.73 1 224 ILE -0.82 1.79 1 226 ARG -4.64 7.76 1 227 SER -0.08 5.40 1 229 THR 6.55 -0.82 1 230 PHE 4.55 0.81 1 232 LEU 3.25 0.50 1 233 ALA 5.40 -2.19 1 234 ASP 4.05 0.66 1 235 THR 9.15 -1.43 1 237 LEU 4.56 -1.02 1 238 LEU 4.82 -0.95 1 239 LEU 3.32 0.02 1 240 MET 4.47 0.27 1 241 ASP 0.58 1.80 1 242 LYS 1.91 0.39 1 243 ARG 0.85 0.40 1 244 LYS 5.16 -1.59 1 247 SER 2.63 -0.06 1 248 SER 0.29 1.08 1 249 VAL 2.69 -0.95 1 250 ASP -3.13 1.27 1 251 ILE 5.53 -0.68 1 252 LYS 6.85 -2.12 1 253 LYS 4.09 -0.47 1 255 LEU 5.11 -1.47 1 257 GLU 4.29 -0.78 1 258 MET 5.21 0.90 1 259 ARG 2.87 -0.28 1 260 LYS 4.57 -1.27 1 261 PHE 0.15 2.09 1 262 ARG -0.44 1.66 1 263 MET 0.73 -0.31 1 265 LEU 1.90 -0.73 1 266 ILE -1.44 3.78 1 267 GLN -7.33 3.95 1 268 THR 3.86 -1.36 1 269 ALA 4.01 -0.85 1 270 ASP 4.64 -0.75 1 271 GLN 4.89 -1.02 1 272 LEU 6.10 -1.87 1 273 ARG 4.30 0.27 1 274 PHE 6.52 -0.36 1 275 SER -2.53 2.98 1 276 TYR 3.53 -0.22 1 277 LEU 5.00 -2.27 1 278 ALA 6.95 -1.68 1 279 VAL 5.79 -0.25 1 280 ILE 3.96 -1.18 1 281 GLU 3.29 -0.38 1 283 ALA 4.31 -0.69 1 284 LYS 2.96 -0.11 1 285 PHE 2.97 -0.48 1 286 ILE 1.43 -0.46 1 287 MET -0.24 0.66 1 289 ASP 1.70 0.05 1 290 SER 1.74 0.16 1 291 SER 7.09 -2.49 1 292 VAL 1.26 -0.44 1 296 TRP 1.82 -0.20 1 297 LYS 1.36 -0.19 1 298 GLU 2.02 1.48 1 301 HIS 0.42 0.43 1 302 GLU 0.58 0.28 1 303 ASP 0.30 0.12 1 304 LEU -2.96 0.80 1 305 GLU -4.09 4.29 1 307 HIS -0.30 1.73 1 stop_ save_