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 bmr19496_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.23 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _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 6.92 _LACS_plot.Line_2_terminator_val_y_2 4.14 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 MET 1.67 -3.49 0 10 ALA -5.46 -1.88 1 11 VAL -5.38 -2.69 1 13 ARG 4.72 4.19 1 15 LEU -0.96 -1.92 1 16 GLN 0.78 0.06 1 18 LYS -3.87 -0.18 1 20 VAL 4.73 2.36 1 21 ARG -4.82 -1.30 1 22 VAL 0.24 0.31 1 23 LYS 6.92 3.59 1 24 GLU -2.33 -1.26 1 25 THR 2.82 1.84 1 26 ALA -0.40 -1.87 1 27 ASP -5.52 -2.26 1 28 PHE -0.80 -0.33 1 29 LYS -5.88 -1.20 1 30 VAL -3.48 -1.06 1 31 TYR -0.51 0.04 1 32 THR -1.31 -0.34 1 33 LYS 3.63 2.69 1 35 ALA 0.69 0.23 1 37 SER -0.43 -0.09 1 39 GLU -4.29 -2.05 1 40 LEU -2.22 -1.12 1 41 LYS -2.80 -0.56 1 42 VAL -3.49 -1.43 1 43 THR -3.82 -1.54 1 44 VAL -2.24 -0.92 1 45 LYS -3.43 -1.20 1 48 LYS -0.62 -1.65 1 50 GLU 1.51 1.51 1 51 GLU -3.94 -1.97 1 52 ARG 1.29 0.83 1 53 VAL -4.24 -1.99 1 54 LYS -2.23 -0.55 1 55 GLN -4.23 -1.58 1 56 LYS -4.36 -1.31 1 57 ASP 0.38 -0.26 1 58 LEU 0.72 -0.16 1 60 ASP 1.56 1.10 1 62 VAL 0.54 -0.64 1 63 TYR -5.44 -1.24 1 65 PHE -5.28 -1.37 1 66 GLU -5.82 -1.70 1 67 TYR -3.83 -1.80 1 68 TYR -1.98 -2.70 1 70 MET -2.45 -1.03 1 71 VAL -3.92 -1.70 1 74 THR 2.62 2.15 1 75 TYR -2.13 -1.63 1 76 ILE -2.44 -2.43 1 77 VAL -0.84 -0.93 1 78 THR 1.68 0.80 1 79 ILE -2.47 -0.47 1 80 THR -6.35 -3.58 1 81 TRP -5.39 -1.99 1 84 GLN -3.54 -1.83 1 85 ASN 0.83 2.45 1 86 ILE -1.97 -1.25 1 88 ARG 3.07 0.84 1 89 SER -2.26 -1.43 1 91 PHE -0.61 -0.32 1 92 GLU -1.01 -0.40 1 93 VAL -1.69 0.31 1 94 LYS 0.99 -0.17 1 95 VAL -0.20 -0.55 1 97 THR -0.28 0.08 1 98 GLU 0.60 1.22 1 101 ASN -1.18 1.43 1 103 LYS -1.11 0.57 1 104 VAL -5.55 -2.40 1 105 ARG -4.70 -1.61 1 106 ALA -6.16 -1.64 1 107 TRP -0.95 -0.74 1 111 LEU 2.12 -0.42 1 112 GLU -3.39 -0.52 1 115 VAL -6.59 -2.76 1 116 VAL 3.39 2.87 1 118 LYS -4.37 -3.51 1 119 SER 2.19 0.57 1 120 ALA -1.14 -2.00 1 121 ASP -2.59 -0.41 1 122 PHE -0.85 -0.84 1 123 VAL -4.03 -1.98 1 124 VAL -3.28 -1.61 1 125 GLU -6.23 -2.22 1 126 ALA -0.92 -0.21 1 127 ILE 1.23 1.14 1 129 ASP -0.11 0.61 1 130 ASP -0.94 -0.43 1 131 VAL 1.33 1.09 1 133 THR 0.33 0.36 1 134 LEU -2.63 -1.10 1 136 PHE -6.76 -1.72 1 137 SER -1.37 -0.07 1 138 VAL -1.81 -0.83 1 139 GLU -4.08 -1.80 1 142 SER -3.74 -1.51 1 143 GLN 1.39 1.01 1 144 ALA -3.70 -1.50 1 145 LYS 0.63 1.05 1 146 ILE -4.02 -1.09 1 147 GLU -6.19 -1.85 1 149 ASP -3.48 -1.40 1 150 ASP 0.41 0.68 1 151 LYS 1.40 -1.58 1 153 ASP -1.87 -1.51 1 155 SER -5.89 -1.70 1 157 ASP -1.22 -0.14 1 158 VAL -1.86 -2.32 1 159 ARG -4.94 -2.33 1 160 TYR -6.64 -3.25 1 161 TRP -1.91 -0.94 1 163 GLN -1.43 -0.06 1 164 GLU -5.84 -1.71 1 165 ALA 0.72 0.73 1 167 GLU -1.56 -0.64 1 168 TYR -2.63 -1.43 1 169 ALA -2.95 -1.99 1 170 VAL 0.94 0.07 1 171 HIS 0.10 -0.02 1 172 VAL -0.38 0.10 1 173 LEU -4.23 -2.09 1 175 ASN 4.01 1.84 1 176 SER 4.00 2.40 1 177 GLU -5.19 -2.08 1 178 ASP -0.11 2.18 1 179 ILE -0.49 0.31 1 180 ARG 3.60 2.74 1 181 LEU 5.64 3.06 1 182 SER -2.03 -1.34 1 184 PHE -2.57 -1.23 1 186 ALA -3.98 -1.63 1 187 ASP -1.31 -0.79 1 188 ILE 0.88 -3.20 1 189 ARG -4.09 -1.63 1 190 ASP 0.33 0.97 1 191 ALA -0.65 0.06 1 193 GLN 1.61 1.54 1 194 ASP 1.22 -0.09 1 195 PHE -1.98 -0.48 1 196 HIS -2.00 -0.58 1 198 ASP 2.12 0.29 1 199 ARG -0.53 -0.99 1 200 VAL 2.38 0.69 1 201 LYS -5.02 -1.81 1 202 ALA -5.62 -2.12 1 203 ARG -3.86 -0.85 1 207 LEU -1.02 -2.05 1 208 GLU -1.39 -0.33 1 209 LYS 3.71 3.93 1 210 THR -2.58 -0.94 1 212 VAL 3.44 1.97 1 213 ALA -5.37 -1.97 1 214 VAL 0.59 0.31 1 215 ASN 4.10 2.19 1 216 LYS -2.69 -1.13 1 218 ALA -1.25 -1.78 1 219 GLU -4.23 -0.97 1 220 PHE -0.87 -0.59 1 221 THR -3.00 -0.73 1 222 VAL -1.46 -0.54 1 223 ASP -1.28 -0.79 1 224 ALA -4.03 -2.26 1 225 LYS 5.17 4.56 1 226 HIS -1.56 0.07 1 229 LYS -0.64 -0.26 1 230 ALA -1.45 -0.44 1 232 LEU -2.53 -1.20 1 233 ARG -3.18 -0.42 1 234 VAL -1.84 -0.72 1 235 GLN -4.62 -1.07 1 236 VAL -1.54 -1.56 1 237 GLN -5.73 -1.66 1 238 ASP -1.11 -1.35 1 239 ASN 2.36 1.50 1 240 GLU -2.07 -1.44 1 244 VAL -2.10 -0.91 1 245 GLU 1.30 1.69 1 246 ALA -3.84 -2.49 1 247 LEU -1.25 -0.55 1 248 VAL -2.05 -0.21 1 249 LYS -2.90 -1.47 1 250 ASP -0.78 -0.61 1 251 ASN 1.97 1.44 1 253 ASN -1.25 -1.62 1 255 THR -5.80 -2.35 1 256 TYR -4.30 -1.36 1 257 SER -0.14 0.26 1 259 SER -2.98 -0.86 1 260 TYR -4.27 -1.72 1 261 VAL -1.15 -1.12 1 263 ARG -2.64 -0.98 1 264 LYS -6.18 -1.32 1 266 VAL -8.23 -4.06 1 267 LYS 2.78 1.97 1 268 HIS -3.09 -0.09 1 269 THR -0.26 0.16 1 270 ALA -3.94 -2.74 1 271 MET -2.55 -1.38 1 272 VAL -2.02 -0.89 1 273 SER -5.25 -2.13 1 274 TRP -6.80 -2.97 1 277 VAL -2.65 -1.22 1 278 SER 1.66 1.27 1 279 ILE 5.51 2.32 1 281 ASN 3.98 2.75 1 282 SER -2.69 -1.67 1 284 PHE -1.67 -0.98 1 285 ARG 0.21 0.34 1 286 VAL -3.74 -0.57 1 287 ASN 0.72 0.31 1 288 VAL 2.15 0.93 1 290 ALA -0.38 0.22 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19496_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.23 _LACS_plot.Line_1_terminator_val_y_1 5.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _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 6.92 _LACS_plot.Line_2_terminator_val_y_2 -2.78 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 MET 1.67 -5.16 0 10 ALA -5.46 3.58 1 11 VAL -5.38 2.69 1 13 ARG 4.72 -0.53 1 15 LEU -0.96 -0.96 1 16 GLN 0.78 -0.72 1 18 LYS -3.87 3.69 1 20 VAL 4.73 -2.37 1 21 ARG -4.82 3.52 1 22 VAL 0.24 0.07 1 23 LYS 6.92 -3.33 1 24 GLU -2.33 1.07 1 25 THR 2.82 -0.98 1 26 ALA -0.40 -1.47 1 27 ASP -5.52 3.26 1 28 PHE -0.80 0.47 1 29 LYS -5.88 4.68 1 30 VAL -3.48 2.42 1 31 TYR -0.51 0.55 1 32 THR -1.31 0.97 1 33 LYS 3.63 -0.94 1 35 ALA 0.69 -0.46 1 37 SER -0.43 0.34 1 39 GLU -4.29 2.24 1 40 LEU -2.22 1.10 1 41 LYS -2.80 2.24 1 42 VAL -3.49 2.06 1 43 THR -3.82 2.28 1 44 VAL -2.24 1.32 1 45 LYS -3.43 2.23 1 48 LYS -0.62 -1.03 1 50 GLU 1.51 0.00 1 51 GLU -3.94 1.97 1 52 ARG 1.29 -0.46 1 53 VAL -4.24 2.25 1 54 LYS -2.23 1.68 1 55 GLN -4.23 2.65 1 56 LYS -4.36 3.05 1 57 ASP 0.38 -0.64 1 58 LEU 0.72 -0.88 1 60 ASP 1.56 -0.46 1 62 VAL 0.54 -1.18 1 63 TYR -5.44 4.20 1 65 PHE -5.28 3.91 1 66 GLU -5.82 4.12 1 67 TYR -3.83 2.03 1 68 TYR -1.98 -0.72 1 70 MET -2.45 1.42 1 71 VAL -3.92 2.22 1 74 THR 2.62 -0.47 1 75 TYR -2.13 0.50 1 76 ILE -2.44 0.01 1 77 VAL -0.84 -0.09 1 78 THR 1.68 -0.88 1 79 ILE -2.47 2.00 1 80 THR -6.35 2.77 1 81 TRP -5.39 3.40 1 84 GLN -3.54 1.71 1 85 ASN 0.83 1.62 1 86 ILE -1.97 0.72 1 88 ARG 3.07 -2.23 1 89 SER -2.26 0.83 1 91 PHE -0.61 0.29 1 92 GLU -1.01 0.61 1 93 VAL -1.69 2.00 1 94 LYS 0.99 -1.16 1 95 VAL -0.20 -0.35 1 97 THR -0.28 0.36 1 98 GLU 0.60 0.62 1 101 ASN -1.18 2.61 1 103 LYS -1.11 1.68 1 104 VAL -5.55 3.15 1 105 ARG -4.70 3.09 1 106 ALA -6.16 4.52 1 107 TRP -0.95 0.21 1 111 LEU 2.12 -2.54 1 112 GLU -3.39 2.87 1 115 VAL -6.59 3.83 1 116 VAL 3.39 -0.52 1 118 LYS -4.37 0.86 1 119 SER 2.19 -1.62 1 120 ALA -1.14 -0.86 1 121 ASP -2.59 2.18 1 122 PHE -0.85 0.01 1 123 VAL -4.03 2.05 1 124 VAL -3.28 1.67 1 125 GLU -6.23 4.01 1 126 ALA -0.92 0.71 1 127 ILE 1.23 -0.09 1 129 ASP -0.11 0.72 1 130 ASP -0.94 0.51 1 131 VAL 1.33 -0.24 1 133 THR 0.33 0.03 1 134 LEU -2.63 1.53 1 136 PHE -6.76 5.04 1 137 SER -1.37 1.30 1 138 VAL -1.81 0.98 1 139 GLU -4.08 2.28 1 142 SER -3.74 2.23 1 143 GLN 1.39 -0.38 1 144 ALA -3.70 2.20 1 145 LYS 0.63 0.42 1 146 ILE -4.02 2.93 1 147 GLU -6.19 4.34 1 149 ASP -3.48 2.08 1 150 ASP 0.41 0.27 1 151 LYS 1.40 -2.98 1 153 ASP -1.87 0.36 1 155 SER -5.89 4.19 1 157 ASP -1.22 1.08 1 158 VAL -1.86 -0.46 1 159 ARG -4.94 2.61 1 160 TYR -6.64 3.39 1 161 TRP -1.91 0.97 1 163 GLN -1.43 1.37 1 164 GLU -5.84 4.13 1 165 ALA 0.72 0.01 1 167 GLU -1.56 0.92 1 168 TYR -2.63 1.20 1 169 ALA -2.95 0.96 1 170 VAL 0.94 -0.87 1 171 HIS 0.10 -0.12 1 172 VAL -0.38 0.48 1 173 LEU -4.23 2.14 1 175 ASN 4.01 -2.17 1 176 SER 4.00 -1.60 1 177 GLU -5.19 3.11 1 178 ASP -0.11 2.29 1 179 ILE -0.49 0.80 1 180 ARG 3.60 -0.86 1 181 LEU 5.64 -2.58 1 182 SER -2.03 0.69 1 184 PHE -2.57 1.34 1 186 ALA -3.98 2.35 1 187 ASP -1.31 0.52 1 188 ILE 0.88 -4.08 1 189 ARG -4.09 2.46 1 190 ASP 0.33 0.64 1 191 ALA -0.65 0.71 1 193 GLN 1.61 -0.07 1 194 ASP 1.22 -1.31 1 195 PHE -1.98 1.50 1 196 HIS -2.00 1.42 1 198 ASP 2.12 -1.83 1 199 ARG -0.53 -0.46 1 200 VAL 2.38 -1.69 1 201 LYS -5.02 3.21 1 202 ALA -5.62 3.50 1 203 ARG -3.86 3.01 1 207 LEU -1.02 -1.03 1 208 GLU -1.39 1.06 1 209 LYS 3.71 0.22 1 210 THR -2.58 1.64 1 212 VAL 3.44 -1.47 1 213 ALA -5.37 3.40 1 214 VAL 0.59 -0.28 1 215 ASN 4.10 -1.91 1 216 LYS -2.69 1.56 1 218 ALA -1.25 -0.53 1 219 GLU -4.23 3.26 1 220 PHE -0.87 0.28 1 221 THR -3.00 2.27 1 222 VAL -1.46 0.92 1 223 ASP -1.28 0.49 1 224 ALA -4.03 1.77 1 225 LYS 5.17 -0.61 1 226 HIS -1.56 1.63 1 229 LYS -0.64 0.38 1 230 ALA -1.45 1.01 1 232 LEU -2.53 1.33 1 233 ARG -3.18 2.76 1 234 VAL -1.84 1.12 1 235 GLN -4.62 3.55 1 236 VAL -1.54 -0.02 1 237 GLN -5.73 4.07 1 238 ASP -1.11 -0.24 1 239 ASN 2.36 -0.86 1 240 GLU -2.07 0.63 1 244 VAL -2.10 1.19 1 245 GLU 1.30 0.39 1 246 ALA -3.84 1.35 1 247 LEU -1.25 0.70 1 248 VAL -2.05 1.84 1 249 LYS -2.90 1.43 1 250 ASP -0.78 0.17 1 251 ASN 1.97 -0.53 1 253 ASN -1.25 -0.37 1 255 THR -5.80 3.45 1 256 TYR -4.30 2.94 1 257 SER -0.14 0.40 1 259 SER -2.98 2.12 1 260 TYR -4.27 2.55 1 261 VAL -1.15 0.03 1 263 ARG -2.64 1.66 1 264 LYS -6.18 4.86 1 266 VAL -8.23 4.17 1 267 LYS 2.78 -0.81 1 268 HIS -3.09 3.00 1 269 THR -0.26 0.42 1 270 ALA -3.94 1.20 1 271 MET -2.55 1.17 1 272 VAL -2.02 1.13 1 273 SER -5.25 3.12 1 274 TRP -6.80 3.83 1 277 VAL -2.65 1.43 1 278 SER 1.66 -0.39 1 279 ILE 5.51 -3.19 1 281 ASN 3.98 -1.23 1 282 SER -2.69 1.02 1 284 PHE -1.67 0.69 1 285 ARG 0.21 0.13 1 286 VAL -3.74 3.17 1 287 ASN 0.72 -0.41 1 288 VAL 2.15 -1.22 1 290 ALA -0.38 0.60 1 stop_ save_