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 bmr27691_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.12 _LACS_plot.Line_1_terminator_val_y_1 -4.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.59 _LACS_plot.Line_2_terminator_val_x_2 8.12 _LACS_plot.Line_2_terminator_val_y_2 5.52 _LACS_plot.Y_axis_chem_shift_offset 0.86 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 320 SER -2.22 3.22 0 76 ASP -9.12 -2.27 0 12 ARG 3.44 0.68 1 14 SER 0.03 -0.10 1 16 GLU 0.07 -0.49 1 17 THR 0.44 -0.19 1 19 GLU -0.49 -0.61 1 20 LYS -1.50 -1.01 1 21 THR 3.10 0.53 1 23 GLU 6.97 4.57 1 24 THR 8.00 4.97 1 25 VAL 5.67 3.91 1 26 ALA 4.82 1.90 1 27 LEU 5.69 2.74 1 28 LEU 5.18 2.74 1 29 GLN 4.80 2.55 1 30 ASN 4.64 4.09 1 31 LEU 5.68 2.93 1 32 LYS 3.86 2.23 1 33 GLN 1.02 -1.16 1 34 ALA 2.32 2.90 1 35 GLU 4.01 2.45 1 36 ARG 0.92 0.10 1 37 LYS 0.59 0.52 1 39 ILE -2.15 -1.21 1 40 LEU 0.18 0.61 1 41 PHE 0.25 0.61 1 43 HIS -5.43 -1.98 1 44 HIS -0.44 1.49 1 45 ASP 4.33 0.73 1 46 ASP 3.06 4.83 1 47 THR -1.90 -3.67 1 48 ALA -1.07 -0.21 1 49 TYR -0.74 -3.08 1 51 ILE 5.92 -0.69 1 54 GLU -2.08 -0.18 1 56 ASP 1.54 0.13 1 57 LYS 3.52 1.09 1 59 ARG 0.61 -0.11 1 60 SER -3.95 -1.75 1 61 ASP 7.94 5.18 1 62 VAL 4.65 3.89 1 63 LYS 3.92 2.27 1 64 SER 5.50 3.85 1 65 VAL 3.60 2.14 1 68 ALA -5.72 -2.50 1 69 TYR 2.76 1.51 1 72 VAL -3.17 -2.87 1 73 MET -4.09 -1.03 1 74 SER -6.31 -3.85 1 75 PHE -5.66 -2.74 1 77 LEU -0.53 -1.98 1 79 GLU 7.64 4.17 1 80 ILE 7.45 3.71 1 81 GLU 4.95 0.59 1 82 LEU 1.43 -1.08 1 85 THR 1.56 1.27 1 86 HIS -4.36 0.37 1 87 ASN -2.62 -3.02 1 88 LEU 5.11 3.19 1 89 ASP 0.72 0.14 1 90 LYS 6.45 0.69 1 91 VAL -0.67 -1.75 1 92 SER -0.29 -1.39 1 93 PHE 6.97 4.78 1 94 ALA 4.12 1.93 1 95 HIS 3.43 2.24 1 96 LEU 3.75 2.93 1 97 ARG 6.33 3.82 1 98 GLU 4.03 2.41 1 99 TYR 1.96 -0.56 1 100 ILE 6.54 4.47 1 101 ILE 5.89 4.40 1 102 GLU 3.50 2.30 1 103 GLN 5.33 1.22 1 104 TYR 4.36 3.55 1 105 ALA 3.61 1.70 1 106 ARG 0.63 -0.71 1 109 MET -5.81 -1.58 1 110 ILE -2.77 -0.83 1 111 SER -7.04 -5.36 1 112 LEU -5.04 -2.20 1 113 SER -3.51 -2.39 1 114 TRP -3.26 -3.42 1 115 HIS 5.42 2.18 1 116 VAL -0.53 -3.73 1 117 ARG 1.38 -0.74 1 118 ASN -1.79 -1.48 1 120 LYS -1.33 0.60 1 121 THR -0.58 -0.45 1 124 ASP -2.24 -1.12 1 125 SER 3.24 4.03 1 126 TRP 1.86 0.78 1 127 ASP 0.94 -0.59 1 128 VAL 1.10 -2.34 1 129 THR 2.41 2.28 1 130 ASP -3.40 -1.87 1 131 SER 0.93 0.13 1 132 THR 0.65 -0.77 1 133 VAL 6.41 3.99 1 134 VAL 7.30 4.48 1 135 ALA 5.05 2.58 1 136 SER 2.90 2.36 1 137 VAL 0.11 -2.58 1 138 MET -4.26 -1.52 1 139 GLN 4.47 2.12 1 142 GLU 2.96 1.92 1 143 ASN -1.13 -0.76 1 144 HIS 5.58 5.01 1 145 VAL 7.05 4.24 1 146 LYS 4.75 2.28 1 147 MET 0.83 0.77 1 148 LEU 5.93 3.04 1 149 GLU 4.15 2.34 1 150 TRP 2.69 2.40 1 151 ILE 6.03 4.40 1 152 ASP 5.36 2.94 1 153 ARG 5.00 3.00 1 154 VAL 7.43 4.26 1 155 ALA 4.00 2.39 1 156 ASP 4.21 2.55 1 157 PHE 4.91 3.64 1 158 LEU 5.59 2.92 1 159 LEU 1.46 0.39 1 160 SER -0.14 -0.53 1 161 LEU 1.83 -2.87 1 162 LYS -5.86 -3.23 1 163 THR -3.67 -1.90 1 164 LYS 4.59 2.31 1 167 VAL 1.10 -0.20 1 168 LEU 0.06 -0.98 1 169 ILE 0.24 -0.34 1 171 VAL -6.78 -3.40 1 172 VAL 0.54 -1.45 1 173 PHE -3.39 -2.95 1 174 ARG -6.38 -1.73 1 176 TRP -0.86 -4.33 1 177 HIS -2.17 1.26 1 178 GLU 5.77 -0.01 1 179 HIS 2.25 3.80 1 180 THR 1.92 -0.36 1 182 SER -0.59 -1.64 1 183 TRP 0.40 -1.71 1 184 PHE -4.63 -5.68 1 185 TRP 3.12 1.65 1 186 TRP 2.61 -1.11 1 188 LYS 5.01 3.52 1 189 ASP 2.62 0.52 1 190 LEU 1.49 -0.82 1 192 SER -3.78 -2.09 1 193 SER 4.73 3.31 1 194 GLU 3.73 2.27 1 195 GLN 4.80 2.51 1 196 TYR 5.51 4.69 1 197 LYS 6.04 4.49 1 198 THR 7.51 4.83 1 199 LEU 5.62 2.66 1 200 TRP 3.75 3.98 1 201 ARG 6.11 3.62 1 202 MET 3.03 3.18 1 203 THR 7.30 5.32 1 204 ASN 3.23 4.02 1 205 ASP 4.71 2.92 1 206 ARG 3.07 0.42 1 207 LEU 6.04 3.07 1 208 ARG 5.33 2.61 1 209 LEU 3.64 2.47 1 210 LYS 0.86 -1.19 1 212 VAL 4.22 0.09 1 213 ASN 0.25 -1.13 1 214 ASN 1.63 -1.05 1 215 VAL -5.29 -3.26 1 216 LEU -3.90 -3.05 1 217 LEU -0.24 -1.28 1 218 ALA -4.16 -3.08 1 219 TYR -5.38 -1.47 1 220 SER -2.58 -1.05 1 223 MET 1.71 -1.38 1 224 GLU 6.13 4.65 1 225 SER 0.49 1.60 1 226 ASP -1.62 -0.32 1 227 THR -7.42 -3.76 1 228 VAL 5.46 3.43 1 229 GLU 5.66 3.49 1 230 GLU 2.89 2.22 1 231 TYR 4.13 3.94 1 232 LEU 0.55 -1.35 1 233 GLU 5.49 3.94 1 234 ARG 1.64 -1.17 1 235 TYR -5.18 -4.57 1 238 ASP 2.39 1.66 1 239 ASP 2.62 -0.46 1 240 ILE -0.04 0.35 1 241 ILE 0.76 -3.75 1 242 ASP -3.70 1.20 1 243 VAL -4.70 -1.94 1 244 LEU 0.50 -1.41 1 246 THR -0.56 -2.05 1 247 ASP -1.83 -3.50 1 248 VAL -3.66 -1.26 1 249 TYR -2.15 -0.18 1 250 GLN 2.91 0.25 1 251 PHE 1.32 0.41 1 252 GLU -0.88 0.13 1 253 ARG 7.41 5.81 1 254 SER 5.34 3.76 1 255 GLN 3.77 2.28 1 256 TYR 2.55 2.48 1 257 ILE 5.98 4.54 1 258 LYS 4.39 3.23 1 259 GLN 4.02 2.17 1 260 LEU 4.84 2.23 1 261 ASN 4.73 4.07 1 262 LYS 5.82 3.19 1 263 MET 4.13 -0.51 1 265 THR 8.01 5.80 1 266 ILE 5.73 4.15 1 267 LEU 3.53 2.45 1 268 THR 6.97 5.19 1 269 GLU 3.80 2.25 1 270 ALA 4.56 2.51 1 272 LYS 3.94 2.28 1 273 LYS 3.05 1.98 1 274 HIS 2.41 0.72 1 275 ASP 2.64 0.33 1 276 LYS -4.69 -3.25 1 278 ILE -5.39 -3.04 1 279 ALA -2.31 -0.81 1 280 LEU -1.87 -2.49 1 281 THR 3.98 2.10 1 282 GLU -3.09 1.45 1 283 THR -3.63 -3.25 1 285 LEU -1.76 -3.16 1 286 GLU 3.35 1.34 1 288 ILE 3.51 2.47 1 290 ASP -2.05 -2.51 1 291 SER 2.35 1.93 1 292 LEU -0.61 -2.36 1 293 TRP 7.47 7.08 1 294 TRP 4.21 1.26 1 295 THR 2.48 1.93 1 297 THR 4.29 3.53 1 298 LEU 6.28 3.56 1 299 LEU 8.13 5.77 1 301 VAL 4.55 2.98 1 302 ILE 6.49 4.52 1 303 GLU 2.84 0.51 1 304 LYS 1.52 -0.48 1 305 TYR -2.03 -0.85 1 307 LEU -1.92 -0.94 1 308 SER 1.96 2.19 1 309 TYR -3.19 -1.87 1 310 VAL -4.75 -3.69 1 311 LEU -2.67 -1.53 1 312 VAL -4.75 -4.44 1 313 TRP -1.79 -1.92 1 319 LYS 3.94 0.03 1 323 TYR -2.38 -2.77 1 324 TYR -1.12 0.18 1 325 ALA -0.60 -2.62 1 330 GLN 3.84 1.13 1 331 VAL 4.54 3.32 1 332 SER -1.76 0.58 1 333 ALA 4.88 3.68 1 334 ASP 5.21 3.36 1 335 ASP 0.64 3.27 1 336 PHE 4.85 3.52 1 337 VAL 7.65 4.79 1 338 LYS 5.89 3.72 1 339 PHE 3.00 2.63 1 340 SER 2.93 1.83 1 341 ARG 1.20 -0.86 1 342 SER -0.25 -0.30 1 344 LYS 0.53 -0.63 1 345 ILE -0.03 -4.13 1 346 LEU -2.43 -1.38 1 347 PHE -3.51 -2.19 1 348 VAL 7.09 4.16 1 350 ASP 0.53 0.22 1 351 ASN 2.62 -0.07 1 352 PHE -1.62 -1.64 1 353 GLU -3.21 -1.86 1 354 LEU 2.38 0.44 1 355 TYR 0.56 -0.74 1 356 LYS -0.71 0.16 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27691_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.12 _LACS_plot.Line_1_terminator_val_y_1 5.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.59 _LACS_plot.Line_2_terminator_val_x_2 8.12 _LACS_plot.Line_2_terminator_val_y_2 -2.60 _LACS_plot.Y_axis_chem_shift_offset 0.86 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 320 SER -2.22 5.44 0 76 ASP -9.12 6.85 0 12 ARG 3.44 -2.76 1 14 SER 0.03 -0.13 1 16 GLU 0.07 -0.56 1 17 THR 0.44 -0.63 1 19 GLU -0.49 -0.12 1 20 LYS -1.50 0.49 1 21 THR 3.10 -2.57 1 23 GLU 6.97 -2.40 1 24 THR 8.00 -3.03 1 25 VAL 5.67 -1.76 1 26 ALA 4.82 -2.92 1 27 LEU 5.69 -2.95 1 28 LEU 5.18 -2.44 1 29 GLN 4.80 -2.25 1 30 ASN 4.64 -0.55 1 31 LEU 5.68 -2.75 1 32 LYS 3.86 -1.63 1 33 GLN 1.02 -2.18 1 34 ALA 2.32 0.58 1 35 GLU 4.01 -1.56 1 36 ARG 0.92 -0.82 1 37 LYS 0.59 -0.07 1 39 ILE -2.15 0.94 1 40 LEU 0.18 0.43 1 41 PHE 0.25 0.36 1 43 HIS -5.43 3.45 1 44 HIS -0.44 1.93 1 45 ASP 4.33 -3.60 1 46 ASP 3.06 1.77 1 47 THR -1.90 -1.77 1 48 ALA -1.07 0.86 1 49 TYR -0.74 -2.34 1 51 ILE 5.92 -6.61 1 54 GLU -2.08 1.90 1 56 ASP 1.54 -1.41 1 57 LYS 3.52 -2.43 1 59 ARG 0.61 -0.72 1 60 SER -3.95 2.20 1 61 ASP 7.94 -2.76 1 62 VAL 4.65 -0.76 1 63 LYS 3.92 -1.65 1 64 SER 5.50 -1.65 1 65 VAL 3.60 -1.46 1 68 ALA -5.72 3.22 1 69 TYR 2.76 -1.25 1 72 VAL -3.17 0.30 1 73 MET -4.09 3.06 1 74 SER -6.31 2.46 1 75 PHE -5.66 2.92 1 77 LEU -0.53 -1.45 1 79 GLU 7.64 -3.47 1 80 ILE 7.45 -3.74 1 81 GLU 4.95 -4.36 1 82 LEU 1.43 -2.51 1 85 THR 1.56 -0.29 1 86 HIS -4.36 4.73 1 87 ASN -2.62 -0.40 1 88 LEU 5.11 -1.92 1 89 ASP 0.72 -0.58 1 90 LYS 6.45 -5.76 1 91 VAL -0.67 -1.08 1 92 SER -0.29 -1.10 1 93 PHE 6.97 -2.19 1 94 ALA 4.12 -2.19 1 95 HIS 3.43 -1.19 1 96 LEU 3.75 -0.82 1 97 ARG 6.33 -2.51 1 98 GLU 4.03 -1.62 1 99 TYR 1.96 -2.52 1 100 ILE 6.54 -2.07 1 101 ILE 5.89 -1.49 1 102 GLU 3.50 -1.20 1 103 GLN 5.33 -4.11 1 104 TYR 4.36 -0.81 1 105 ALA 3.61 -1.91 1 106 ARG 0.63 -1.34 1 109 MET -5.81 4.23 1 110 ILE -2.77 1.94 1 111 SER -7.04 1.68 1 112 LEU -5.04 2.84 1 113 SER -3.51 1.12 1 114 TRP -3.26 -0.16 1 115 HIS 5.42 -3.24 1 116 VAL -0.53 -3.20 1 117 ARG 1.38 -2.12 1 118 ASN -1.79 0.31 1 120 LYS -1.33 1.93 1 121 THR -0.58 0.13 1 124 ASP -2.24 1.12 1 125 SER 3.24 0.79 1 126 TRP 1.86 -1.08 1 127 ASP 0.94 -1.53 1 128 VAL 1.10 -3.44 1 129 THR 2.41 -0.13 1 130 ASP -3.40 1.53 1 131 SER 0.93 -0.80 1 132 THR 0.65 -1.42 1 133 VAL 6.41 -2.42 1 134 VAL 7.30 -2.82 1 135 ALA 5.05 -2.47 1 136 SER 2.90 -0.54 1 137 VAL 0.11 -2.69 1 138 MET -4.26 2.74 1 139 GLN 4.47 -2.35 1 142 GLU 2.96 -1.04 1 143 ASN -1.13 0.37 1 144 HIS 5.58 -0.57 1 145 VAL 7.05 -2.81 1 146 LYS 4.75 -2.47 1 147 MET 0.83 -0.06 1 148 LEU 5.93 -2.89 1 149 GLU 4.15 -1.81 1 150 TRP 2.69 -0.29 1 151 ILE 6.03 -1.63 1 152 ASP 5.36 -2.42 1 153 ARG 5.00 -2.00 1 154 VAL 7.43 -3.17 1 155 ALA 4.00 -1.61 1 156 ASP 4.21 -1.66 1 157 PHE 4.91 -1.27 1 158 LEU 5.59 -2.67 1 159 LEU 1.46 -1.07 1 160 SER -0.14 -0.39 1 161 LEU 1.83 -4.70 1 162 LYS -5.86 2.63 1 163 THR -3.67 1.77 1 164 LYS 4.59 -2.28 1 167 VAL 1.10 -1.30 1 168 LEU 0.06 -1.04 1 169 ILE 0.24 -0.58 1 171 VAL -6.78 3.38 1 172 VAL 0.54 -1.99 1 173 PHE -3.39 0.44 1 174 ARG -6.38 4.65 1 176 TRP -0.86 -3.47 1 177 HIS -2.17 3.43 1 178 GLU 5.77 -5.78 1 179 HIS 2.25 1.55 1 180 THR 1.92 -2.28 1 182 SER -0.59 -1.05 1 183 TRP 0.40 -2.11 1 184 PHE -4.63 -1.05 1 185 TRP 3.12 -1.47 1 186 TRP 2.61 -3.72 1 188 LYS 5.01 -1.49 1 189 ASP 2.62 -2.10 1 190 LEU 1.49 -2.31 1 192 SER -3.78 1.69 1 193 SER 4.73 -1.42 1 194 GLU 3.73 -1.46 1 195 GLN 4.80 -2.29 1 196 TYR 5.51 -0.82 1 197 LYS 6.04 -1.55 1 198 THR 7.51 -2.68 1 199 LEU 5.62 -2.96 1 200 TRP 3.75 0.23 1 201 ARG 6.11 -2.49 1 202 MET 3.03 0.15 1 203 THR 7.30 -1.98 1 204 ASN 3.23 0.79 1 205 ASP 4.71 -1.79 1 206 ARG 3.07 -2.65 1 207 LEU 6.04 -2.97 1 208 ARG 5.33 -2.72 1 209 LEU 3.64 -1.17 1 210 LYS 0.86 -2.05 1 212 VAL 4.22 -4.13 1 213 ASN 0.25 -1.38 1 214 ASN 1.63 -2.68 1 215 VAL -5.29 2.03 1 216 LEU -3.90 0.85 1 217 LEU -0.24 -1.04 1 218 ALA -4.16 1.08 1 219 TYR -5.38 3.91 1 220 SER -2.58 1.53 1 223 MET 1.71 -3.09 1 224 GLU 6.13 -1.48 1 225 SER 0.49 1.11 1 226 ASP -1.62 1.30 1 227 THR -7.42 3.66 1 228 VAL 5.46 -2.03 1 229 GLU 5.66 -2.17 1 230 GLU 2.89 -0.67 1 231 TYR 4.13 -0.19 1 232 LEU 0.55 -1.90 1 233 GLU 5.49 -1.55 1 234 ARG 1.64 -2.81 1 235 TYR -5.18 0.61 1 238 ASP 2.39 -0.73 1 239 ASP 2.62 -3.08 1 240 ILE -0.04 0.39 1 241 ILE 0.76 -4.51 1 242 ASP -3.70 4.90 1 243 VAL -4.70 2.76 1 244 LEU 0.50 -1.91 1 246 THR -0.56 -1.49 1 247 ASP -1.83 -1.67 1 248 VAL -3.66 2.40 1 249 TYR -2.15 1.97 1 250 GLN 2.91 -2.66 1 251 PHE 1.32 -0.91 1 252 GLU -0.88 1.01 1 253 ARG 7.41 -1.60 1 254 SER 5.34 -1.58 1 255 GLN 3.77 -1.49 1 256 TYR 2.55 -0.07 1 257 ILE 5.98 -1.44 1 258 LYS 4.39 -1.16 1 259 GLN 4.02 -1.85 1 260 LEU 4.84 -2.61 1 261 ASN 4.73 -0.66 1 262 LYS 5.82 -2.63 1 263 MET 4.13 -4.64 1 265 THR 8.01 -2.21 1 266 ILE 5.73 -1.58 1 267 LEU 3.53 -1.08 1 268 THR 6.97 -1.78 1 269 GLU 3.80 -1.55 1 270 ALA 4.56 -2.05 1 272 LYS 3.94 -1.66 1 273 LYS 3.05 -1.07 1 274 HIS 2.41 -1.69 1 275 ASP 2.64 -2.31 1 276 LYS -4.69 1.44 1 278 ILE -5.39 2.35 1 279 ALA -2.31 1.50 1 280 LEU -1.87 -0.62 1 281 THR 3.98 -1.88 1 282 GLU -3.09 4.54 1 283 THR -3.63 0.38 1 285 LEU -1.76 -1.40 1 286 GLU 3.35 -2.01 1 288 ILE 3.51 -1.04 1 290 ASP -2.05 -0.46 1 291 SER 2.35 -0.42 1 292 LEU -0.61 -1.75 1 293 TRP 7.47 -0.39 1 294 TRP 4.21 -2.95 1 295 THR 2.48 -0.55 1 297 THR 4.29 -0.76 1 298 LEU 6.28 -2.72 1 299 LEU 8.13 -2.36 1 301 VAL 4.55 -1.57 1 302 ILE 6.49 -1.97 1 303 GLU 2.84 -2.33 1 304 LYS 1.52 -2.00 1 305 TYR -2.03 1.18 1 307 LEU -1.92 0.98 1 308 SER 1.96 0.23 1 309 TYR -3.19 1.32 1 310 VAL -4.75 1.06 1 311 LEU -2.67 1.14 1 312 VAL -4.75 0.31 1 313 TRP -1.79 -0.13 1 319 LYS 3.94 -3.91 1 323 TYR -2.38 -0.39 1 324 TYR -1.12 1.30 1 325 ALA -0.60 -2.02 1 330 GLN 3.84 -2.71 1 331 VAL 4.54 -1.22 1 332 SER -1.76 2.34 1 333 ALA 4.88 -1.20 1 334 ASP 5.21 -1.85 1 335 ASP 0.64 2.63 1 336 PHE 4.85 -1.33 1 337 VAL 7.65 -2.86 1 338 LYS 5.89 -2.17 1 339 PHE 3.00 -0.37 1 340 SER 2.93 -1.10 1 341 ARG 1.20 -2.06 1 342 SER -0.25 -0.05 1 344 LYS 0.53 -1.16 1 345 ILE -0.03 -4.10 1 346 LEU -2.43 1.05 1 347 PHE -3.51 1.32 1 348 VAL 7.09 -2.93 1 350 ASP 0.53 -0.31 1 351 ASN 2.62 -2.69 1 352 PHE -1.62 -0.02 1 353 GLU -3.21 1.35 1 354 LEU 2.38 -1.94 1 355 TYR 0.56 -1.30 1 356 LYS -0.71 0.87 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27691_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.12 _LACS_plot.Line_1_terminator_val_y_1 -3.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 8.12 _LACS_plot.Line_2_terminator_val_y_2 2.29 _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 299 LEU 8.13 -2.48 0 76 ASP -9.12 -0.95 0 161 LEU 1.83 -5.88 0 12 ARG 3.44 0.25 1 14 SER 0.03 0.61 1 16 GLU 0.07 0.39 1 17 THR 0.44 0.58 1 19 GLU -0.49 -0.17 1 20 LYS -1.50 -0.10 1 21 THR 3.10 -0.08 1 23 GLU 6.97 0.72 1 24 THR 8.00 1.52 1 25 VAL 5.67 -0.52 1 26 ALA 4.82 1.45 1 27 LEU 5.69 1.03 1 28 LEU 5.18 0.70 1 29 GLN 4.80 3.60 1 30 ASN 4.64 4.86 1 31 LEU 5.68 2.75 1 32 LYS 3.86 0.67 1 33 GLN 1.02 -0.20 1 34 ALA 2.32 2.12 1 35 GLU 4.01 0.81 1 36 ARG 0.92 0.68 1 37 LYS 0.59 -0.53 1 39 ILE -2.15 0.18 1 40 LEU 0.18 -1.73 1 41 PHE 0.25 -0.28 1 45 ASP 4.33 3.06 1 46 ASP 3.06 -0.84 1 47 THR -1.90 -1.21 1 48 ALA -1.07 -0.33 1 49 TYR -0.74 -3.87 1 51 ILE 5.92 2.08 1 54 GLU -2.08 -0.29 1 56 ASP 1.54 0.24 1 57 LYS 3.52 1.76 1 59 ARG 0.61 -4.13 1 60 SER -3.95 1.78 1 61 ASP 7.94 1.34 1 62 VAL 4.65 2.12 1 63 LYS 3.92 3.81 1 64 SER 5.50 -0.52 1 65 VAL 3.60 -0.46 1 68 ALA -5.72 -2.50 1 69 TYR 2.76 -0.77 1 72 VAL -3.17 -1.42 1 73 MET -4.09 -3.39 1 74 SER -6.31 -3.55 1 75 PHE -5.66 -3.45 1 77 LEU -0.53 -1.48 1 79 GLU 7.64 3.01 1 80 ILE 7.45 1.91 1 81 GLU 4.95 -1.57 1 82 LEU 1.43 1.75 1 85 THR 1.56 1.78 1 87 ASN -2.62 3.55 1 88 LEU 5.11 -2.08 1 89 ASP 0.72 -2.17 1 90 LYS 6.45 -2.46 1 91 VAL -0.67 -0.10 1 92 SER -0.29 0.66 1 93 PHE 6.97 1.75 1 94 ALA 4.12 3.20 1 96 LEU 3.75 0.72 1 97 ARG 6.33 0.68 1 98 GLU 4.03 2.24 1 99 TYR 1.96 4.73 1 100 ILE 6.54 0.38 1 101 ILE 5.89 2.96 1 102 GLU 3.50 2.75 1 103 GLN 5.33 1.70 1 104 TYR 4.36 4.07 1 105 ALA 3.61 1.56 1 106 ARG 0.63 -0.59 1 109 MET -5.81 -1.36 1 110 ILE -2.77 -1.52 1 111 SER -7.04 -2.25 1 112 LEU -5.04 -2.74 1 113 SER -3.51 -1.35 1 114 TRP -3.26 -2.03 1 116 VAL -0.53 -0.17 1 117 ARG 1.38 -3.27 1 118 ASN -1.79 2.12 1 120 LYS -1.33 0.24 1 121 THR -0.58 2.42 1 124 ASP -2.24 1.40 1 125 SER 3.24 -1.58 1 126 TRP 1.86 -0.27 1 127 ASP 0.94 0.61 1 128 VAL 1.10 -0.25 1 129 THR 2.41 -0.15 1 130 ASP -3.40 -0.31 1 131 SER 0.93 -0.23 1 132 THR 0.65 0.36 1 133 VAL 6.41 3.47 1 134 VAL 7.30 2.61 1 135 ALA 5.05 2.79 1 136 SER 2.90 -0.09 1 137 VAL 0.11 -0.26 1 138 MET -4.26 -0.74 1 139 GLN 4.47 0.69 1 142 GLU 2.96 0.38 1 143 ASN -1.13 -1.04 1 145 VAL 7.05 2.05 1 146 LYS 4.75 -0.32 1 147 MET 0.83 2.38 1 148 LEU 5.93 0.84 1 149 GLU 4.15 3.58 1 150 TRP 2.69 2.58 1 151 ILE 6.03 1.87 1 152 ASP 5.36 2.30 1 153 ARG 5.00 4.08 1 154 VAL 7.43 1.27 1 155 ALA 4.00 0.27 1 156 ASP 4.21 2.72 1 157 PHE 4.91 3.87 1 158 LEU 5.59 1.11 1 159 LEU 1.46 -1.04 1 160 SER -0.14 -0.48 1 162 LYS -5.86 -0.30 1 163 THR -3.67 2.68 1 167 VAL 1.10 -0.60 1 168 LEU 0.06 -1.33 1 169 ILE 0.24 -1.95 1 171 VAL -6.78 -0.84 1 172 VAL 0.54 -0.06 1 173 PHE -3.39 -4.04 1 174 ARG -6.38 -4.08 1 176 TRP -0.86 1.64 1 178 GLU 5.77 0.78 1 180 THR 1.92 -0.95 1 182 SER -0.59 -2.43 1 183 TRP 0.40 -1.79 1 184 PHE -4.63 2.54 1 185 TRP 3.12 -2.17 1 186 TRP 2.61 -1.27 1 188 LYS 5.01 1.21 1 189 ASP 2.62 -0.36 1 190 LEU 1.49 -2.23 1 192 SER -3.78 0.71 1 193 SER 4.73 1.86 1 194 GLU 3.73 3.57 1 195 GLN 4.80 1.57 1 196 TYR 5.51 1.74 1 197 LYS 6.04 2.83 1 198 THR 7.51 0.73 1 199 LEU 5.62 3.24 1 200 TRP 3.75 2.40 1 201 ARG 6.11 1.92 1 202 MET 3.03 2.44 1 203 THR 7.30 0.16 1 204 ASN 3.23 1.46 1 205 ASP 4.71 3.05 1 206 ARG 3.07 2.45 1 207 LEU 6.04 1.38 1 208 ARG 5.33 4.91 1 209 LEU 3.64 1.72 1 210 LYS 0.86 -0.66 1 212 VAL 4.22 -1.17 1 213 ASN 0.25 -1.07 1 214 ASN 1.63 -1.84 1 215 VAL -5.29 -1.29 1 216 LEU -3.90 -1.13 1 217 LEU -0.24 -0.16 1 218 ALA -4.16 -3.86 1 219 TYR -5.38 -1.88 1 223 MET 1.71 -0.36 1 224 GLU 6.13 1.40 1 225 SER 0.49 -2.02 1 226 ASP -1.62 0.10 1 227 THR -7.42 0.26 1 228 VAL 5.46 0.32 1 229 GLU 5.66 3.31 1 230 GLU 2.89 2.57 1 231 TYR 4.13 1.40 1 232 LEU 0.55 -0.50 1 233 GLU 5.49 1.15 1 234 ARG 1.64 -3.75 1 235 TYR -5.18 0.73 1 238 ASP 2.39 -0.48 1 239 ASP 2.62 -1.52 1 240 ILE -0.04 -2.68 1 241 ILE 0.76 -2.08 1 242 ASP -3.70 -2.74 1 243 VAL -4.70 -2.08 1 244 LEU 0.50 -2.75 1 246 THR -0.56 -5.38 1 247 ASP -1.83 -1.18 1 248 VAL -3.66 -2.94 1 249 TYR -2.15 -2.02 1 250 GLN 2.91 -1.33 1 251 PHE 1.32 -0.17 1 252 GLU -0.88 0.05 1 253 ARG 7.41 0.54 1 254 SER 5.34 3.13 1 255 GLN 3.77 1.02 1 256 TYR 2.55 0.63 1 257 ILE 5.98 2.82 1 258 LYS 4.39 3.55 1 259 GLN 4.02 2.53 1 260 LEU 4.84 1.41 1 261 ASN 4.73 2.34 1 262 LYS 5.82 2.91 1 263 MET 4.13 2.89 1 265 THR 8.01 2.00 1 266 ILE 5.73 0.71 1 267 LEU 3.53 1.05 1 268 THR 6.97 2.48 1 269 GLU 3.80 2.34 1 270 ALA 4.56 1.88 1 272 LYS 3.94 3.24 1 273 LYS 3.05 1.46 1 275 ASP 2.64 -2.20 1 276 LYS -4.69 -0.22 1 278 ILE -5.39 0.11 1 279 ALA -2.31 -4.89 1 280 LEU -1.87 -3.28 1 281 THR 3.98 0.51 1 282 GLU -3.09 -1.64 1 283 THR -3.63 -3.90 1 285 LEU -1.76 -3.30 1 286 GLU 3.35 1.13 1 288 ILE 3.51 -2.47 1 290 ASP -2.05 -0.26 1 291 SER 2.35 -1.13 1 292 LEU -0.61 3.19 1 293 TRP 7.47 1.13 1 294 TRP 4.21 1.96 1 295 THR 2.48 2.77 1 297 THR 4.29 -1.87 1 298 LEU 6.28 0.53 1 301 VAL 4.55 1.47 1 302 ILE 6.49 0.40 1 303 GLU 2.84 -0.17 1 304 LYS 1.52 -1.15 1 305 TYR -2.03 0.54 1 307 LEU -1.92 -0.63 1 308 SER 1.96 1.44 1 309 TYR -3.19 -4.01 1 310 VAL -4.75 -4.80 1 311 LEU -2.67 -3.38 1 312 VAL -4.75 0.82 1 313 TRP -1.79 -2.44 1 323 TYR -2.38 -2.11 1 324 TYR -1.12 -1.69 1 325 ALA -0.60 -2.39 1 330 GLN 3.84 3.81 1 331 VAL 4.54 0.03 1 332 SER -1.76 0.10 1 333 ALA 4.88 0.64 1 334 ASP 5.21 3.30 1 335 ASP 0.64 1.75 1 336 PHE 4.85 1.62 1 337 VAL 7.65 3.04 1 338 LYS 5.89 2.59 1 339 PHE 3.00 0.00 1 340 SER 2.93 -0.53 1 341 ARG 1.20 1.04 1 342 SER -0.25 3.26 1 344 LYS 0.53 -2.76 1 345 ILE -0.03 -1.38 1 346 LEU -2.43 -1.99 1 347 PHE -3.51 0.36 1 348 VAL 7.09 1.73 1 350 ASP 0.53 -0.63 1 351 ASN 2.62 -1.80 1 352 PHE -1.62 -2.98 1 353 GLU -3.21 -1.15 1 354 LEU 2.38 0.18 1 355 TYR 0.56 -1.36 1 356 LYS -0.71 3.43 1 stop_ save_