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 bmr26835_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 -2.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.25 _LACS_plot.Line_2_terminator_val_x_2 9.50 _LACS_plot.Line_2_terminator_val_y_2 7.48 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 HIS -7.17 2.53 0 11 GLU 3.30 3.33 1 12 PHE 4.37 5.14 1 13 GLU 3.52 3.30 1 14 GLN 4.83 3.71 1 15 ILE 4.95 4.22 1 16 ASP 3.15 4.06 1 17 LYS 4.10 3.17 1 18 SER -0.18 0.76 1 20 SER 0.85 0.76 1 21 TRP 3.88 3.50 1 22 ALA 4.90 3.54 1 23 ALA 4.19 3.12 1 24 ILE 4.45 2.64 1 25 TYR 5.08 4.98 1 26 GLN 4.82 3.30 1 27 ASP 4.96 4.19 1 28 ILE 6.03 4.43 1 29 ARG 5.41 4.37 1 30 HIS 2.80 3.63 1 31 GLU -0.63 0.31 1 32 ALA 0.56 0.84 1 33 SER 0.16 1.48 1 34 ASP -2.55 0.11 1 35 PHE -1.81 0.13 1 38 ARG 4.63 4.34 1 39 VAL 7.43 5.26 1 40 ALA 0.57 2.67 1 41 LYS -0.08 -0.30 1 42 LEU 2.16 1.53 1 44 LYS 4.08 2.32 1 45 ASN -0.36 0.37 1 46 LYS 5.73 5.08 1 47 ASN 2.20 0.53 1 48 ARG 0.13 0.64 1 49 ASN -2.83 -0.08 1 50 ARG 3.48 3.61 1 51 TYR -2.79 -1.17 1 52 ARG 3.53 2.56 1 53 ASP 0.18 -0.34 1 54 VAL 1.34 1.06 1 55 SER -2.12 -0.17 1 57 PHE -1.47 -1.51 1 58 ASP 5.63 5.28 1 59 HIS 3.26 4.74 1 60 SER -2.58 -2.15 1 61 ARG 2.41 0.18 1 62 ILE -0.59 -3.26 1 63 LYS -0.34 -0.52 1 64 LEU -0.36 -0.51 1 65 HIS 1.55 -0.36 1 66 GLN -2.77 -0.55 1 67 GLU 1.60 2.13 1 68 ASP 2.76 3.03 1 69 ASN 1.50 0.88 1 70 ASP -1.34 -0.36 1 71 TYR 3.17 3.58 1 72 ILE -4.98 -1.65 1 73 ASN 2.77 0.16 1 74 ALA -4.22 -0.10 1 75 SER -3.97 -0.24 1 76 LEU -0.18 -0.31 1 77 ILE 0.80 -0.17 1 78 LYS -1.19 -0.64 1 79 MET 0.05 -2.83 1 80 GLU 4.17 4.17 1 81 GLU 3.89 3.09 1 82 ALA 0.35 0.41 1 83 GLN 4.00 1.02 1 84 ARG -6.59 -1.48 1 85 SER -3.79 -1.07 1 86 TYR -7.17 -2.28 1 87 ILE -0.50 -0.13 1 88 LEU -2.50 -0.84 1 89 THR -5.89 -3.46 1 90 GLN -1.60 -2.51 1 93 LEU 0.35 0.88 1 95 ASN 2.80 1.33 1 96 THR -0.67 -0.55 1 99 HIS -1.22 2.54 1 100 PHE 6.02 4.82 1 109 SER 4.03 3.45 1 110 ARG -1.52 -0.37 1 114 MET -2.17 -0.63 1 115 LEU -1.23 -0.45 1 116 ASN -3.96 -0.70 1 117 ARG -0.19 0.58 1 118 VAL 6.06 4.89 1 123 SER -1.88 -0.42 1 124 LEU 1.79 1.13 1 127 ALA -0.19 -0.35 1 128 GLN 3.32 0.46 1 129 TYR -0.24 -0.94 1 130 TRP -2.42 -1.46 1 137 GLU -5.42 -1.88 1 138 MET -5.34 0.34 1 139 ILE -1.74 -0.64 1 140 PHE 0.97 -0.66 1 141 GLU 2.92 2.94 1 142 ASP 4.40 2.11 1 143 THR -0.31 -0.90 1 144 ASN 2.07 1.30 1 145 LEU -5.13 -1.11 1 147 LEU -8.04 -2.05 1 148 THR -1.76 0.14 1 149 LEU 0.45 0.77 1 150 ILE 2.83 0.67 1 151 SER -1.95 0.10 1 152 GLU -4.64 -0.10 1 153 ASP -1.68 -0.47 1 154 ILE 1.84 1.69 1 155 LYS -2.06 -1.74 1 158 TYR -3.73 -1.29 1 159 THR -4.13 -0.05 1 160 VAL -3.20 -1.77 1 167 ASN 0.11 -0.67 1 168 LEU 3.75 2.30 1 169 THR 4.81 3.98 1 170 THR -0.30 0.44 1 171 GLN 5.96 2.81 1 172 GLU -3.45 0.18 1 173 THR -3.68 -1.06 1 177 LEU 2.76 2.09 1 180 HIS 2.08 3.47 1 181 TYR 1.22 0.94 1 182 THR 1.36 0.55 1 183 ALA -2.17 -0.72 1 184 TRP 0.50 -0.34 1 187 PHE -2.34 -0.65 1 189 VAL -2.22 -4.19 1 191 GLU 2.21 2.31 1 192 SER -4.40 -2.62 1 194 ALA 0.82 1.08 1 195 SER 0.58 0.88 1 201 PHE 3.60 4.22 1 202 LYS 6.48 1.77 1 204 ARG 3.73 4.45 1 205 GLU 2.42 2.55 1 206 SER -0.17 2.49 1 208 SER 4.67 5.39 1 209 LEU 1.34 -0.46 1 210 SER 0.35 1.04 1 212 GLU 2.48 1.47 1 213 HIS -5.46 -0.40 1 216 VAL 0.22 -0.98 1 217 VAL 0.15 -0.30 1 218 VAL -2.26 -1.29 1 219 HIS -4.90 1.09 1 222 ALA -1.99 -0.28 1 224 ILE -0.95 0.97 1 226 ARG 5.07 4.42 1 229 THR 6.59 5.83 1 230 PHE 4.62 5.45 1 232 LEU 3.12 3.76 1 233 ALA 5.59 3.03 1 234 ASP 3.94 4.61 1 235 THR 9.50 7.73 1 237 LEU 4.65 3.45 1 238 LEU 4.09 3.41 1 239 LEU 3.28 3.38 1 240 MET 4.20 4.74 1 241 ASP 0.71 2.42 1 242 LYS 2.14 2.63 1 243 ARG 2.17 3.25 1 247 SER 2.70 2.52 1 248 SER 0.40 1.41 1 249 VAL 2.57 1.65 1 250 ASP -3.06 -1.90 1 251 ILE 5.48 4.84 1 252 LYS 6.76 4.69 1 253 LYS 4.22 3.68 1 254 VAL 6.26 4.84 1 256 LEU 5.03 4.09 1 259 ARG 2.93 2.64 1 260 LYS 4.55 3.23 1 261 PHE 0.26 2.27 1 262 ARG -0.55 1.15 1 263 MET 0.88 0.53 1 265 LEU 1.78 1.25 1 266 ILE 1.18 4.21 1 267 GLN -1.41 2.37 1 268 THR -7.43 -3.39 1 269 ALA 4.00 2.54 1 270 ASP 3.97 3.12 1 271 GLN 4.59 3.95 1 272 LEU 5.05 3.95 1 273 ARG 6.03 4.20 1 274 PHE 4.46 4.74 1 277 LEU 3.61 3.23 1 278 ALA 5.09 2.67 1 279 VAL 7.30 5.31 1 280 ILE 5.73 5.53 1 281 GLU 3.69 2.66 1 283 ALA 3.43 2.92 1 284 LYS 4.37 3.52 1 285 PHE 3.09 2.87 1 286 ILE 2.64 2.43 1 287 MET 1.41 1.03 1 289 ASP -0.19 0.52 1 290 SER 1.61 1.61 1 291 SER 1.81 1.86 1 292 VAL 2.36 1.60 1 293 GLN -0.50 0.04 1 294 ASP 1.82 1.21 1 295 GLN 2.37 1.86 1 296 TRP 1.30 0.89 1 297 LYS 1.91 1.71 1 298 GLU 0.93 1.03 1 299 LEU 1.14 0.88 1 300 SER 0.27 0.61 1 301 HIS -2.81 2.14 1 302 GLU 0.36 0.84 1 303 ASP 0.51 0.85 1 304 LEU 0.22 0.30 1 305 GLU -1.71 -1.76 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26835_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 5.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.75 _LACS_plot.Line_2_terminator_val_x_2 9.50 _LACS_plot.Line_2_terminator_val_y_2 -2.02 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 HIS -7.17 9.70 0 11 GLU 3.30 0.03 1 12 PHE 4.37 0.77 1 13 GLU 3.52 -0.22 1 14 GLN 4.83 -1.12 1 15 ILE 4.95 -0.73 1 16 ASP 3.15 0.91 1 17 LYS 4.10 -0.93 1 18 SER -0.18 0.94 1 20 SER 0.85 -0.09 1 21 TRP 3.88 -0.38 1 22 ALA 4.90 -1.36 1 23 ALA 4.19 -1.07 1 24 ILE 4.45 -1.81 1 25 TYR 5.08 -0.10 1 26 GLN 4.82 -1.52 1 27 ASP 4.96 -0.77 1 28 ILE 6.03 -1.60 1 29 ARG 5.41 -1.04 1 30 HIS 2.80 0.83 1 31 GLU -0.63 0.94 1 32 ALA 0.56 0.28 1 33 SER 0.16 1.32 1 34 ASP -2.55 2.66 1 35 PHE -1.81 1.94 1 38 ARG 4.63 -0.29 1 39 VAL 7.43 -2.17 1 40 ALA 0.57 2.10 1 41 LYS -0.08 -0.22 1 42 LEU 2.16 -0.63 1 44 LYS 4.08 -1.76 1 45 ASN -0.36 0.73 1 46 LYS 5.73 -0.65 1 47 ASN 2.20 -1.67 1 48 ARG 0.13 0.51 1 49 ASN -2.83 2.75 1 50 ARG 3.48 0.13 1 51 TYR -2.79 1.62 1 52 ARG 3.53 -0.97 1 53 ASP 0.18 -0.52 1 54 VAL 1.34 -0.28 1 55 SER -2.12 1.95 1 57 PHE -1.47 -0.04 1 58 ASP 5.63 -0.35 1 59 HIS 3.26 1.48 1 60 SER -2.58 0.43 1 61 ARG 2.41 -2.23 1 62 ILE -0.59 -2.67 1 63 LYS -0.34 -0.18 1 64 LEU -0.36 -0.15 1 65 HIS 1.55 -1.91 1 66 GLN -2.77 2.22 1 67 GLU 1.60 0.53 1 68 ASP 2.76 0.27 1 69 ASN 1.50 -0.62 1 70 ASP -1.34 0.98 1 71 TYR 3.17 0.41 1 72 ILE -4.98 3.33 1 73 ASN 2.77 -2.61 1 74 ALA -4.22 4.12 1 75 SER -3.97 3.73 1 76 LEU -0.18 -0.13 1 77 ILE 0.80 -0.97 1 78 LYS -1.19 0.55 1 79 MET 0.05 -2.88 1 80 GLU 4.17 0.00 1 81 GLU 3.89 -0.80 1 82 ALA 0.35 0.06 1 83 GLN 4.00 -2.98 1 84 ARG -6.59 5.11 1 85 SER -3.79 2.72 1 86 TYR -7.17 4.89 1 87 ILE -0.50 0.37 1 88 LEU -2.50 1.66 1 89 THR -5.89 2.43 1 90 GLN -1.60 -0.91 1 93 LEU 0.35 0.53 1 95 ASN 2.80 -1.47 1 96 THR -0.67 0.12 1 99 HIS -1.22 3.76 1 100 PHE 6.02 -1.20 1 109 SER 4.03 -0.58 1 110 ARG -1.52 1.15 1 114 MET -2.17 1.54 1 115 LEU -1.23 0.78 1 116 ASN -3.96 3.26 1 117 ARG -0.19 0.77 1 118 VAL 6.06 -1.17 1 123 SER -1.88 1.46 1 124 LEU 1.79 -0.66 1 127 ALA -0.19 -0.16 1 128 GLN 3.32 -2.86 1 129 TYR -0.24 -0.70 1 130 TRP -2.42 0.96 1 137 GLU -5.42 3.54 1 138 MET -5.34 5.68 1 139 ILE -1.74 1.10 1 140 PHE 0.97 -1.63 1 141 GLU 2.92 0.02 1 142 ASP 4.40 -2.29 1 143 THR -0.31 -0.59 1 144 ASN 2.07 -0.77 1 145 LEU -5.13 4.02 1 147 LEU -8.04 5.99 1 148 THR -1.76 1.90 1 149 LEU 0.45 0.32 1 150 ILE 2.83 -2.16 1 151 SER -1.95 2.05 1 152 GLU -4.64 4.54 1 153 ASP -1.68 1.21 1 154 ILE 1.84 -0.15 1 155 LYS -2.06 0.32 1 158 TYR -3.73 2.44 1 159 THR -4.13 4.08 1 160 VAL -3.20 1.43 1 167 ASN 0.11 -0.78 1 168 LEU 3.75 -1.45 1 169 THR 4.81 -0.83 1 170 THR -0.30 0.74 1 171 GLN 5.96 -3.15 1 172 GLU -3.45 3.63 1 173 THR -3.68 2.62 1 177 LEU 2.76 -0.67 1 180 HIS 2.08 1.39 1 181 TYR 1.22 -0.28 1 182 THR 1.36 -0.81 1 183 ALA -2.17 1.45 1 184 TRP 0.50 -0.84 1 187 PHE -2.34 1.69 1 189 VAL -2.22 -1.97 1 191 GLU 2.21 0.10 1 192 SER -4.40 1.78 1 194 ALA 0.82 0.26 1 195 SER 0.58 0.30 1 201 PHE 3.60 0.62 1 202 LYS 6.48 -4.71 1 204 ARG 3.73 0.72 1 205 GLU 2.42 0.13 1 206 SER -0.17 2.66 1 208 SER 4.67 0.72 1 209 LEU 1.34 -1.80 1 210 SER 0.35 0.69 1 212 GLU 2.48 -1.01 1 213 HIS -5.46 5.06 1 216 VAL 0.22 -1.20 1 217 VAL 0.15 -0.45 1 218 VAL -2.26 0.97 1 219 HIS -4.90 5.99 1 222 ALA -1.99 1.71 1 224 ILE -0.95 1.92 1 226 ARG 5.07 -0.65 1 229 THR 6.59 -0.76 1 230 PHE 4.62 0.83 1 232 LEU 3.12 0.64 1 233 ALA 5.59 -2.56 1 234 ASP 3.94 0.67 1 235 THR 9.50 -1.77 1 237 LEU 4.65 -1.20 1 238 LEU 4.09 -0.68 1 239 LEU 3.28 0.10 1 240 MET 4.20 0.54 1 241 ASP 0.71 1.71 1 242 LYS 2.14 0.49 1 243 ARG 2.17 1.08 1 247 SER 2.70 -0.18 1 248 SER 0.40 1.01 1 249 VAL 2.57 -0.92 1 250 ASP -3.06 1.16 1 251 ILE 5.48 -0.64 1 252 LYS 6.76 -2.07 1 253 LYS 4.22 -0.54 1 254 VAL 6.26 -1.42 1 256 LEU 5.03 -0.94 1 259 ARG 2.93 -0.29 1 260 LYS 4.55 -1.32 1 261 PHE 0.26 2.01 1 262 ARG -0.55 1.70 1 263 MET 0.88 -0.35 1 265 LEU 1.78 -0.53 1 266 ILE 1.18 3.03 1 267 GLN -1.41 3.78 1 268 THR -7.43 4.04 1 269 ALA 4.00 -1.46 1 270 ASP 3.97 -0.85 1 271 GLN 4.59 -0.64 1 272 LEU 5.05 -1.10 1 273 ARG 6.03 -1.83 1 274 PHE 4.46 0.28 1 277 LEU 3.61 -0.38 1 278 ALA 5.09 -2.42 1 279 VAL 7.30 -1.99 1 280 ILE 5.73 -0.20 1 281 GLU 3.69 -1.03 1 283 ALA 3.43 -0.51 1 284 LYS 4.37 -0.85 1 285 PHE 3.09 -0.22 1 286 ILE 2.64 -0.21 1 287 MET 1.41 -0.38 1 289 ASP -0.19 0.71 1 290 SER 1.61 0.00 1 291 SER 1.81 0.05 1 292 VAL 2.36 -0.76 1 293 GLN -0.50 0.54 1 294 ASP 1.82 -0.61 1 295 GLN 2.37 -0.51 1 296 TRP 1.30 -0.41 1 297 LYS 1.91 -0.20 1 298 GLU 0.93 0.10 1 299 LEU 1.14 -0.26 1 300 SER 0.27 0.34 1 301 HIS -2.81 4.95 1 302 GLU 0.36 0.48 1 303 ASP 0.51 0.34 1 304 LEU 0.22 0.08 1 305 GLU -1.71 -0.05 1 stop_ save_