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 bmr26832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 7.43 _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 178 HIS -6.95 3.40 0 11 GLU 3.34 3.74 1 12 PHE 4.13 5.31 1 13 GLU 3.39 3.52 1 14 GLN 4.83 3.89 1 15 ILE 4.94 4.57 1 16 ASP 3.13 4.11 1 17 LYS 4.02 3.36 1 18 SER -0.39 0.92 1 20 SER 0.91 1.31 1 21 TRP 3.90 3.74 1 22 ALA 4.78 3.78 1 23 ALA 3.94 3.26 1 24 ILE 4.33 2.99 1 25 TYR 4.77 5.07 1 26 GLN 4.54 3.60 1 27 ASP 4.79 4.20 1 28 ILE 5.70 4.52 1 29 ARG 5.21 4.59 1 30 HIS 2.49 3.80 1 31 GLU -0.89 0.45 1 32 ALA 0.47 1.07 1 33 SER 0.11 1.83 1 34 ASP -2.89 0.09 1 35 PHE -1.88 0.40 1 38 ARG 4.56 4.58 1 39 VAL 7.28 5.42 1 40 ALA 0.52 2.88 1 41 LYS -0.23 -0.15 1 42 LEU 2.01 1.73 1 44 LYS 3.94 2.52 1 45 ASN -0.44 0.64 1 46 LYS 5.62 5.30 1 47 ASN 1.95 0.65 1 48 ARG 0.03 0.88 1 49 ASN -2.92 0.15 1 50 ARG 3.55 3.92 1 51 TYR -2.99 -1.12 1 52 ARG 3.81 3.12 1 53 ASP 0.04 -0.12 1 54 VAL 1.25 1.27 1 55 SER -2.25 0.04 1 57 PHE -1.60 -1.34 1 58 ASP 5.53 5.55 1 59 HIS 3.06 4.97 1 60 SER -2.76 -1.92 1 61 ARG 2.31 0.40 1 62 ILE -0.74 -3.04 1 63 LYS -0.46 -0.30 1 64 LEU -0.42 -0.17 1 65 HIS 1.03 -0.30 1 66 GLN -2.87 -0.35 1 67 GLU 0.84 2.16 1 68 ASP 2.62 3.19 1 69 ASN 1.41 1.11 1 70 ASP -1.43 -0.28 1 71 TYR 2.94 3.79 1 72 ILE -5.23 -1.46 1 73 ASN 2.80 0.36 1 74 ALA -4.36 0.08 1 75 SER -4.10 -0.01 1 76 LEU -0.27 -0.07 1 77 ILE 0.69 0.05 1 78 LYS -1.11 -0.17 1 79 MET 0.04 -2.56 1 80 GLU 4.09 4.41 1 81 GLU 3.80 3.40 1 82 ALA 0.19 0.59 1 83 GLN 3.90 1.26 1 85 SER -3.95 -0.88 1 86 TYR -7.28 -2.03 1 87 ILE -0.61 0.11 1 88 LEU -2.63 -0.70 1 89 THR -6.12 -3.25 1 90 GLN -1.70 -2.28 1 93 LEU 0.20 1.12 1 95 ASN 2.78 1.59 1 96 THR -0.80 -0.27 1 99 HIS -1.32 2.78 1 100 PHE 5.91 5.06 1 109 SER 3.83 3.75 1 110 ARG -1.63 -0.09 1 112 VAL -3.41 -0.26 1 114 MET -2.84 -0.84 1 115 LEU -1.24 -0.15 1 116 ASN -4.06 -0.60 1 117 ARG -0.65 0.66 1 118 VAL 6.06 5.39 1 123 SER -2.29 -0.35 1 124 LEU 1.55 1.27 1 127 ALA -0.34 -0.12 1 128 GLN 3.21 0.73 1 129 TYR -0.17 -0.49 1 130 TRP -2.66 -1.33 1 137 GLU -5.11 -1.40 1 138 MET -5.40 0.66 1 139 ILE -2.00 -0.34 1 140 PHE 0.87 -0.41 1 141 GLU 2.78 3.13 1 142 ASP 4.28 2.31 1 143 THR -0.43 -0.61 1 144 ASN 1.87 1.43 1 145 LEU -5.18 -0.77 1 147 LEU -7.99 -1.74 1 148 THR -1.81 0.58 1 149 LEU 0.25 1.01 1 151 SER -2.06 0.24 1 152 GLU -4.78 0.05 1 153 ASP -2.12 -0.22 1 154 ILE 1.46 1.85 1 155 LYS -3.50 -1.62 1 157 ALA -1.47 0.51 1 158 ALA -4.96 -0.92 1 159 THR -2.71 0.68 1 160 VAL -2.00 -0.34 1 163 LEU 3.88 2.71 1 164 GLU -8.39 -3.44 1 167 ASN -0.24 -0.54 1 168 LEU 3.63 2.51 1 169 THR 4.65 4.19 1 170 THR -0.41 0.67 1 171 GLN 5.87 3.03 1 172 GLU -3.55 0.34 1 173 THR -3.82 -0.82 1 176 ILE -0.27 1.17 1 177 LEU 3.28 2.74 1 179 PHE 6.36 3.83 1 181 TYR 0.97 1.09 1 182 THR 1.94 1.78 1 183 THR -0.64 -0.67 1 184 TRP 1.67 0.41 1 187 PHE -2.54 -0.36 1 189 VAL -0.31 -1.55 1 191 GLU 2.11 2.83 1 192 SER -4.39 -2.37 1 194 ALA 0.85 1.43 1 195 SER 0.49 1.15 1 202 LYS 6.42 2.06 1 203 VAL 7.24 4.73 1 204 ARG 4.43 4.74 1 205 GLU 2.24 2.58 1 206 SER -0.22 2.73 1 208 SER 4.42 5.44 1 209 LEU 1.22 -0.20 1 212 GLU 2.15 1.54 1 213 HIS -5.39 -0.09 1 216 VAL 0.77 0.06 1 217 VAL -0.18 0.03 1 218 VAL -2.78 -1.39 1 219 HIS -5.34 1.11 1 224 ILE -1.35 1.23 1 226 ARG 5.33 4.84 1 229 THR 6.09 5.73 1 230 PHE 4.47 5.59 1 232 LEU 2.98 3.97 1 233 ALA 5.38 3.41 1 234 ASP 3.98 5.05 1 235 THR 9.14 7.98 1 237 LEU 4.38 3.69 1 238 LEU 4.33 3.59 1 239 LEU 3.38 3.55 1 240 MET 4.39 4.92 1 241 ASP 0.44 2.60 1 242 LYS 2.08 2.83 1 243 ARG 0.70 1.28 1 247 SER 2.48 2.75 1 248 SER 0.13 1.52 1 249 VAL 2.55 1.93 1 250 ASP -3.16 -1.68 1 251 ILE 5.33 5.09 1 252 LYS 6.64 4.84 1 253 LYS 3.67 3.51 1 254 VAL 6.02 5.04 1 256 LEU 4.60 4.05 1 259 ARG 2.73 2.83 1 260 LYS 4.33 3.35 1 261 PHE 0.15 2.50 1 262 ARG -0.66 1.33 1 263 MET 0.70 0.68 1 265 LEU 1.59 1.49 1 266 ILE 0.47 4.08 1 267 GLN -1.36 2.55 1 268 THR -7.50 -3.07 1 269 ALA 3.84 2.75 1 270 ASP 3.83 3.34 1 271 GLN 4.45 4.06 1 272 LEU 4.81 4.17 1 273 ARG 6.14 4.56 1 274 PHE 4.44 5.04 1 275 SER 6.07 6.03 1 276 TYR -0.80 2.55 1 277 LEU 2.85 3.19 1 278 ALA 4.86 2.93 1 279 VAL 6.73 5.42 1 280 ILE 5.61 5.65 1 283 ALA 3.29 3.16 1 284 LYS 4.26 3.70 1 285 PHE 2.98 3.14 1 286 ILE 2.63 2.62 1 287 MET 1.31 1.26 1 289 ASP -0.25 0.75 1 290 SER 1.36 1.77 1 291 SER 1.48 1.95 1 292 VAL 1.98 1.64 1 293 GLN -0.37 0.52 1 294 ASP 1.92 1.70 1 296 TRP 1.19 1.11 1 297 LYS 1.20 1.47 1 298 GLU 0.87 1.34 1 299 LEU 0.62 0.84 1 300 SER 0.09 0.84 1 301 HIS -2.42 2.63 1 302 GLU 0.32 1.18 1 303 ASP 0.52 1.21 1 304 LEU 0.43 0.81 1 305 GLU -2.45 -2.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 5.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.08 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 -1.71 _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 178 HIS -6.95 10.35 0 11 GLU 3.34 0.40 1 12 PHE 4.13 1.18 1 13 GLU 3.39 0.13 1 14 GLN 4.83 -0.94 1 15 ILE 4.94 -0.37 1 16 ASP 3.13 0.98 1 17 LYS 4.02 -0.66 1 18 SER -0.39 1.31 1 20 SER 0.91 0.40 1 21 TRP 3.90 -0.16 1 22 ALA 4.78 -1.00 1 23 ALA 3.94 -0.68 1 24 ILE 4.33 -1.34 1 25 TYR 4.77 0.30 1 26 GLN 4.54 -0.94 1 27 ASP 4.79 -0.59 1 28 ILE 5.70 -1.18 1 29 ARG 5.21 -0.62 1 30 HIS 2.49 1.31 1 31 GLU -0.89 1.34 1 32 ALA 0.47 0.60 1 33 SER 0.11 1.72 1 34 ASP -2.89 2.98 1 35 PHE -1.88 2.28 1 38 ARG 4.56 0.02 1 39 VAL 7.28 -1.86 1 40 ALA 0.52 2.36 1 41 LYS -0.23 0.08 1 42 LEU 2.01 -0.28 1 44 LYS 3.94 -1.42 1 45 ASN -0.44 1.08 1 46 LYS 5.62 -0.32 1 47 ASN 1.95 -1.30 1 48 ARG 0.03 0.85 1 49 ASN -2.92 3.07 1 50 ARG 3.55 0.37 1 51 TYR -2.99 1.87 1 52 ARG 3.81 -0.69 1 53 ASP 0.04 -0.16 1 54 VAL 1.25 0.02 1 55 SER -2.25 2.29 1 57 PHE -1.60 0.26 1 58 ASP 5.53 0.02 1 59 HIS 3.06 1.91 1 60 SER -2.76 0.84 1 61 ARG 2.31 -1.91 1 62 ILE -0.74 -2.30 1 63 LYS -0.46 0.16 1 64 LEU -0.42 0.25 1 65 HIS 1.03 -1.33 1 66 GLN -2.87 2.52 1 67 GLU 0.84 1.32 1 68 ASP 2.62 0.57 1 69 ASN 1.41 -0.30 1 70 ASP -1.43 1.15 1 71 TYR 2.94 0.85 1 72 ILE -5.23 3.77 1 73 ASN 2.80 -2.44 1 74 ALA -4.36 4.44 1 75 SER -4.10 4.09 1 76 LEU -0.27 0.20 1 77 ILE 0.69 -0.64 1 78 LYS -1.11 0.94 1 79 MET 0.04 -2.60 1 80 GLU 4.09 0.32 1 81 GLU 3.80 -0.40 1 82 ALA 0.19 0.40 1 83 GLN 3.90 -2.64 1 85 SER -3.95 3.07 1 86 TYR -7.28 5.25 1 87 ILE -0.61 0.72 1 88 LEU -2.63 1.93 1 89 THR -6.12 2.87 1 90 GLN -1.70 -0.58 1 93 LEU 0.20 0.92 1 95 ASN 2.78 -1.19 1 96 THR -0.80 0.53 1 99 HIS -1.32 4.10 1 100 PHE 5.91 -0.85 1 109 SER 3.83 -0.08 1 110 ARG -1.63 1.54 1 112 VAL -3.41 3.15 1 114 MET -2.84 2.00 1 115 LEU -1.24 1.09 1 116 ASN -4.06 3.46 1 117 ARG -0.65 1.31 1 118 VAL 6.06 -0.67 1 123 SER -2.29 1.94 1 124 LEU 1.55 -0.28 1 127 ALA -0.34 0.22 1 128 GLN 3.21 -2.48 1 129 TYR -0.17 -0.32 1 130 TRP -2.66 1.33 1 137 GLU -5.11 3.71 1 138 MET -5.40 6.06 1 139 ILE -2.00 1.66 1 140 PHE 0.87 -1.28 1 141 GLU 2.78 0.35 1 142 ASP 4.28 -1.97 1 143 THR -0.43 -0.18 1 144 ASN 1.87 -0.44 1 145 LEU -5.18 4.41 1 147 LEU -7.99 6.25 1 148 THR -1.81 2.39 1 149 LEU 0.25 0.76 1 151 SER -2.06 2.30 1 152 GLU -4.78 4.83 1 153 ASP -2.12 1.90 1 154 ILE 1.46 0.39 1 155 LYS -3.50 1.88 1 157 ALA -1.47 1.98 1 158 ALA -4.96 4.04 1 159 THR -2.71 3.39 1 160 VAL -2.00 1.66 1 163 LEU 3.88 -1.17 1 164 GLU -8.39 4.95 1 167 ASN -0.24 -0.30 1 168 LEU 3.63 -1.12 1 169 THR 4.65 -0.46 1 170 THR -0.41 1.08 1 171 GLN 5.87 -2.84 1 172 GLU -3.55 3.89 1 173 THR -3.82 3.00 1 176 ILE -0.27 1.44 1 177 LEU 3.28 -0.54 1 179 PHE 6.36 -2.53 1 181 TYR 0.97 0.12 1 182 THR 1.94 -0.16 1 183 THR -0.64 -0.03 1 184 TRP 1.67 -1.26 1 187 PHE -2.54 2.18 1 189 VAL -0.31 -1.24 1 191 GLU 2.11 0.72 1 192 SER -4.39 2.02 1 194 ALA 0.85 0.58 1 195 SER 0.49 0.66 1 202 LYS 6.42 -4.36 1 203 VAL 7.24 -2.51 1 204 ARG 4.43 0.31 1 205 GLU 2.24 0.34 1 206 SER -0.22 2.95 1 208 SER 4.42 1.02 1 209 LEU 1.22 -1.42 1 212 GLU 2.15 -0.61 1 213 HIS -5.39 5.30 1 216 VAL 0.77 -0.71 1 217 VAL -0.18 0.21 1 218 VAL -2.78 1.39 1 219 HIS -5.34 6.45 1 224 ILE -1.35 2.58 1 226 ARG 5.33 -0.49 1 229 THR 6.09 -0.36 1 230 PHE 4.47 1.12 1 232 LEU 2.98 0.99 1 233 ALA 5.38 -1.97 1 234 ASP 3.98 1.07 1 235 THR 9.14 -1.16 1 237 LEU 4.38 -0.69 1 238 LEU 4.33 -0.74 1 239 LEU 3.38 0.17 1 240 MET 4.39 0.53 1 241 ASP 0.44 2.16 1 242 LYS 2.08 0.75 1 243 ARG 0.70 0.58 1 247 SER 2.48 0.27 1 248 SER 0.13 1.39 1 249 VAL 2.55 -0.62 1 250 ASP -3.16 1.48 1 251 ILE 5.33 -0.24 1 252 LYS 6.64 -1.80 1 253 LYS 3.67 -0.16 1 254 VAL 6.02 -0.98 1 256 LEU 4.60 -0.55 1 259 ARG 2.73 0.10 1 260 LYS 4.33 -0.98 1 261 PHE 0.15 2.35 1 262 ARG -0.66 1.99 1 263 MET 0.70 -0.02 1 265 LEU 1.59 -0.10 1 266 ILE 0.47 3.61 1 267 GLN -1.36 3.91 1 268 THR -7.50 4.43 1 269 ALA 3.84 -1.09 1 270 ASP 3.83 -0.49 1 271 GLN 4.45 -0.39 1 272 LEU 4.81 -0.64 1 273 ARG 6.14 -1.58 1 274 PHE 4.44 0.60 1 275 SER 6.07 -0.04 1 276 TYR -0.80 3.35 1 277 LEU 2.85 0.34 1 278 ALA 4.86 -1.93 1 279 VAL 6.73 -1.31 1 280 ILE 5.61 0.04 1 283 ALA 3.29 -0.13 1 284 LYS 4.26 -0.56 1 285 PHE 2.98 0.16 1 286 ILE 2.63 -0.01 1 287 MET 1.31 -0.05 1 289 ASP -0.25 1.00 1 290 SER 1.36 0.41 1 291 SER 1.48 0.47 1 292 VAL 1.98 -0.34 1 293 GLN -0.37 0.89 1 294 ASP 1.92 -0.22 1 296 TRP 1.19 -0.08 1 297 LYS 1.20 0.27 1 298 GLU 0.87 0.47 1 299 LEU 0.62 0.22 1 300 SER 0.09 0.75 1 301 HIS -2.42 5.05 1 302 GLU 0.32 0.86 1 303 ASP 0.52 0.69 1 304 LEU 0.43 0.38 1 305 GLU -2.45 0.26 1 stop_ save_