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 bmr5618_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 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 5.87 _LACS_plot.Line_2_terminator_val_y_2 3.56 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 275 LEU -5.24 2.86 0 11 LEU 0.61 0.44 1 12 PHE -3.15 -0.81 1 13 THR -1.47 0.01 1 14 LYS 3.76 1.98 1 15 VAL 0.80 1.63 1 16 THR 2.35 -0.28 1 17 GLU -4.74 -1.40 1 18 ASP 3.10 1.02 1 19 ILE -0.23 -0.53 1 22 ALA 1.50 2.27 1 23 GLU -5.96 0.26 1 26 VAL -2.58 -1.10 1 27 PHE -5.55 -1.43 1 28 ASP -3.13 -1.83 1 29 LYS 4.88 3.38 1 30 ASN -0.60 -0.35 1 32 ASP 0.31 0.83 1 33 PHE -5.23 -2.54 1 34 TYR -4.50 -3.01 1 35 ILE -6.54 -3.15 1 36 VAL -4.08 -3.36 1 37 ALA -6.73 -4.50 1 39 GLU -0.19 -0.75 1 40 VAL 3.18 2.07 1 41 GLU -6.34 -1.78 1 42 VAL -1.09 -0.39 1 43 ASN 2.72 1.16 1 45 LYS -2.07 -1.25 1 47 ALA -1.23 -1.20 1 49 GLU -7.60 -2.15 1 50 ILE 0.66 0.63 1 51 LEU -3.97 -0.74 1 52 ARG -4.60 -1.61 1 53 ILE -3.89 -3.89 1 54 ASP -1.69 -0.62 1 55 LEU 2.67 1.84 1 56 LYS 2.88 2.52 1 57 THR -2.26 -0.29 1 59 LYS 1.21 1.35 1 60 LYS -2.73 -0.99 1 61 THR -2.00 0.04 1 62 VAL 3.04 1.54 1 63 ILE -0.57 -0.79 1 65 LYS -1.40 -1.20 1 67 GLU -3.41 -1.01 1 68 VAL -1.92 -0.12 1 69 ASN 2.51 1.16 1 71 TYR 1.51 0.31 1 74 ILE -2.69 0.23 1 76 ALA -2.94 1.05 1 79 GLN -8.23 -0.10 1 81 ASP -1.26 0.32 1 82 ARG 0.87 1.81 1 83 ASP 3.35 2.34 1 84 ALA -4.17 -1.91 1 85 ASN 1.11 0.07 1 86 GLN -1.95 -2.67 1 87 LEU -3.42 -1.87 1 88 PHE -0.71 0.26 1 89 VAL -4.83 -2.00 1 90 ALA -1.17 -1.56 1 91 ASP -7.13 -0.56 1 92 MET 0.90 1.97 1 93 ARG -2.81 -1.74 1 94 LEU -2.32 -1.22 1 96 LEU -3.71 -1.62 1 97 LEU -6.27 -2.84 1 98 VAL -1.34 -1.94 1 99 VAL -3.11 -0.87 1 100 GLN -2.62 -2.90 1 101 THR 5.10 3.32 1 102 ASP 0.21 -0.83 1 104 THR 1.32 1.38 1 105 PHE -6.43 -2.15 1 106 GLU -6.33 -1.99 1 107 GLU -2.24 -0.69 1 108 ILE 1.56 0.01 1 109 ALA -3.02 -0.57 1 110 LYS 0.40 0.67 1 111 LYS -6.16 -2.19 1 112 ASP -2.78 -1.41 1 113 SER 4.29 3.24 1 114 GLU -0.69 -0.87 1 116 ARG -0.06 -0.58 1 117 ARG 2.65 1.60 1 118 MET 0.23 -0.80 1 119 GLN -4.63 -0.76 1 122 ASN -4.35 1.01 1 123 ASP -6.74 -2.65 1 125 ALA -4.53 -1.39 1 126 PHE -0.17 1.71 1 127 ASP -6.46 -2.26 1 128 TYR 1.24 -1.75 1 129 GLU -0.11 -0.11 1 131 ASN 0.95 0.57 1 132 LEU -3.36 -1.67 1 133 TRP -1.00 -1.26 1 134 ILE -5.88 -0.02 1 135 THR -1.94 -1.04 1 136 ALA -4.37 -0.79 1 138 ALA -3.76 -1.29 1 140 GLU 0.02 0.90 1 141 VAL -1.88 -0.92 1 142 ALA 2.50 1.10 1 144 ALA 0.79 0.84 1 145 ASP 1.62 0.99 1 146 TYR -0.73 -1.19 1 147 THR -3.83 -1.85 1 148 ARG -5.30 -0.77 1 149 SER 2.57 0.66 1 150 MET 2.48 1.58 1 151 GLN -0.84 0.86 1 152 GLU -3.91 -1.51 1 153 LYS 2.35 -0.50 1 154 PHE -0.79 -1.92 1 156 SER -3.81 -1.12 1 157 ILE -3.92 -2.42 1 158 TYR -7.68 -1.55 1 160 PHE -2.85 -2.61 1 161 THR -1.93 -0.47 1 162 THR 3.60 2.51 1 163 ASP 0.35 -0.75 1 165 GLN -2.59 -1.02 1 166 MET -0.85 -1.89 1 167 ILE -2.84 -0.98 1 168 GLN 0.12 1.05 1 169 VAL 0.67 -0.23 1 170 ASP -1.75 -0.43 1 171 THR -1.56 -1.67 1 172 ALA 3.11 0.54 1 173 PHE -2.95 0.24 1 174 GLN -0.56 -1.48 1 175 PHE 3.73 4.13 1 177 ASN -2.02 -0.80 1 179 ILE -3.66 -2.06 1 180 ALA -5.58 -1.18 1 181 VAL -3.05 -1.63 1 182 ARG -4.02 -2.05 1 183 HIS -0.96 2.08 1 184 MET -1.16 -0.41 1 185 ASN 4.63 3.10 1 186 ASP 0.55 -0.69 1 188 ARG 0.45 1.24 1 190 TYR -3.11 -0.05 1 191 GLN -6.70 -1.53 1 192 LEU -5.57 -2.35 1 193 ILE -2.40 -2.50 1 194 VAL -5.38 -1.63 1 195 ALA -2.82 -1.00 1 196 GLU -4.10 -1.53 1 197 THR 0.74 -0.18 1 199 THR 5.87 0.64 1 200 LYS -4.85 -0.48 1 201 LYS -3.26 -1.66 1 202 LEU -2.99 -1.14 1 203 TRP -6.12 -2.11 1 204 SER -5.72 -1.62 1 205 TYR -0.07 -0.12 1 206 ASP 0.39 0.94 1 207 ILE -1.36 -2.32 1 208 LYS 1.26 0.91 1 211 ALA -1.23 -0.76 1 212 LYS -5.67 -2.82 1 213 ILE -6.46 -2.01 1 214 GLU 2.83 0.51 1 215 ASN 0.04 0.66 1 216 LYS -3.83 -0.88 1 217 LYS 4.71 2.45 1 218 VAL -0.60 1.81 1 219 TRP -3.55 0.22 1 221 HIS -2.03 -4.20 1 222 ILE 0.09 -1.18 1 225 THR -2.10 0.42 1 226 HIS 1.10 0.30 1 227 GLU -1.59 0.68 1 230 ALA -1.25 -0.49 1 231 ASP -5.97 -0.56 1 233 MET -6.19 1.24 1 234 ASP -1.14 0.67 1 235 PHE -3.42 -2.08 1 236 ASP 3.18 2.29 1 237 GLU -0.22 -0.45 1 238 ASP 5.30 2.69 1 239 ASN 1.29 0.76 1 240 ASN -3.58 -1.16 1 241 LEU 0.48 1.00 1 242 LEU -5.49 -2.25 1 243 VAL 2.00 0.91 1 244 ALA -0.89 -1.96 1 245 ASN 2.34 4.79 1 246 TRP -3.24 0.97 1 248 SER 3.85 1.70 1 249 SER -2.04 0.95 1 250 HIS -3.43 -1.25 1 251 ILE -4.36 -2.54 1 252 GLU -0.88 -0.91 1 253 VAL -3.78 -0.23 1 254 PHE -0.43 -0.52 1 257 ASP -0.64 -0.66 1 260 GLN -1.00 -0.44 1 262 LYS -4.38 -0.33 1 263 MET -6.35 -1.94 1 264 ARG -2.46 -1.28 1 265 ILE 0.87 0.32 1 266 ARG -5.65 -4.60 1 269 PHE -1.41 1.40 1 270 GLU -3.15 -1.71 1 271 LYS -2.96 -1.80 1 273 SER -5.52 -2.31 1 274 ASN -4.17 -1.17 1 276 HIS 0.28 0.51 1 277 PHE -0.25 -0.28 1 278 LYS 4.42 1.56 1 280 GLN -4.76 -1.18 1 281 THR -0.42 -0.91 1 282 LYS 2.38 1.94 1 283 THR 0.39 -0.36 1 284 ILE -2.65 -0.88 1 285 PHE -6.31 -2.36 1 286 VAL -1.94 -2.18 1 287 THR -4.10 -1.23 1 288 GLU -5.82 -1.14 1 289 HIS 2.10 2.49 1 290 GLU -0.87 -1.00 1 291 ASN 4.50 1.93 1 292 ASN -6.49 -1.73 1 293 ALA -4.12 -2.14 1 294 VAL -6.86 -1.75 1 295 TRP -4.34 -2.17 1 296 LYS -3.58 -1.92 1 297 PHE -2.71 -1.54 1 298 GLU -7.53 -5.03 1 299 TRP 0.36 0.47 1 300 GLN -2.86 -2.39 1 301 ARG -0.14 -0.43 1 302 ASN -0.82 -1.82 1 304 LYS 3.65 2.82 1 305 LYS -1.93 -0.13 1 306 GLN 2.53 3.00 1 307 TYR -2.63 0.10 1 309 GLU -1.82 -0.20 1 310 THR -2.14 -0.88 1 311 LEU 0.26 0.66 1 312 LYS 0.04 0.08 1 313 PHE 1.42 1.29 1 315 ILE 1.25 1.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5618_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 5.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 5.87 _LACS_plot.Line_2_terminator_val_y_2 -2.31 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 275 LEU -5.24 8.10 0 11 LEU 0.61 -0.17 1 12 PHE -3.15 2.34 1 13 THR -1.47 1.48 1 14 LYS 3.76 -1.78 1 15 VAL 0.80 0.83 1 16 THR 2.35 -2.63 1 17 GLU -4.74 3.34 1 18 ASP 3.10 -2.08 1 19 ILE -0.23 -0.30 1 22 ALA 1.50 0.77 1 23 GLU -5.96 6.22 1 26 VAL -2.58 1.48 1 27 PHE -5.55 4.12 1 28 ASP -3.13 1.30 1 29 LYS 4.88 -1.50 1 30 ASN -0.60 0.25 1 32 ASP 0.31 0.52 1 33 PHE -5.23 2.69 1 34 TYR -4.50 1.49 1 35 ILE -6.54 3.39 1 36 VAL -4.08 0.72 1 37 ALA -6.73 2.23 1 39 GLU -0.19 -0.56 1 40 VAL 3.18 -1.11 1 41 GLU -6.34 4.56 1 42 VAL -1.09 0.70 1 43 ASN 2.72 -1.56 1 45 LYS -2.07 0.82 1 47 ALA -1.23 0.03 1 49 GLU -7.60 5.45 1 50 ILE 0.66 -0.03 1 51 LEU -3.97 3.23 1 52 ARG -4.60 2.99 1 53 ILE -3.89 0.00 1 54 ASP -1.69 1.07 1 55 LEU 2.67 -0.83 1 56 LYS 2.88 -0.36 1 57 THR -2.26 1.97 1 59 LYS 1.21 0.14 1 60 LYS -2.73 1.74 1 61 THR -2.00 2.04 1 62 VAL 3.04 -1.50 1 63 ILE -0.57 -0.22 1 65 LYS -1.40 0.20 1 67 GLU -3.41 2.40 1 68 VAL -1.92 1.80 1 69 ASN 2.51 -1.35 1 71 TYR 1.51 -1.20 1 74 ILE -2.69 2.92 1 76 ALA -2.94 3.99 1 79 GLN -8.23 8.13 1 81 ASP -1.26 1.58 1 82 ARG 0.87 0.94 1 83 ASP 3.35 -1.01 1 84 ALA -4.17 2.26 1 85 ASN 1.11 -1.04 1 86 GLN -1.95 -0.72 1 87 LEU -3.42 1.55 1 88 PHE -0.71 0.97 1 89 VAL -4.83 2.83 1 90 ALA -1.17 -0.39 1 91 ASP -7.13 6.57 1 92 MET 0.90 1.07 1 93 ARG -2.81 1.07 1 94 LEU -2.32 1.10 1 96 LEU -3.71 2.09 1 97 LEU -6.27 3.43 1 98 VAL -1.34 -0.60 1 99 VAL -3.11 2.24 1 100 GLN -2.62 -0.28 1 101 THR 5.10 -1.78 1 102 ASP 0.21 -1.04 1 104 THR 1.32 0.06 1 105 PHE -6.43 4.28 1 106 GLU -6.33 4.34 1 107 GLU -2.24 1.55 1 108 ILE 1.56 -1.55 1 109 ALA -3.02 2.45 1 110 LYS 0.40 0.27 1 111 LYS -6.16 3.97 1 112 ASP -2.78 1.37 1 113 SER 4.29 -1.05 1 114 GLU -0.69 -0.18 1 116 ARG -0.06 -0.52 1 117 ARG 2.65 -1.05 1 118 MET 0.23 -1.03 1 119 GLN -4.63 3.87 1 122 ASN -4.35 5.36 1 123 ASP -6.74 4.09 1 125 ALA -4.53 3.14 1 126 PHE -0.17 1.88 1 127 ASP -6.46 4.20 1 128 TYR 1.24 -2.99 1 129 GLU -0.11 0.00 1 131 ASN 0.95 -0.38 1 132 LEU -3.36 1.69 1 133 TRP -1.00 -0.26 1 134 ILE -5.88 5.86 1 135 THR -1.94 0.90 1 136 ALA -4.37 3.58 1 138 ALA -3.76 2.47 1 140 GLU 0.02 0.88 1 141 VAL -1.88 0.96 1 142 ALA 2.50 -1.40 1 144 ALA 0.79 0.05 1 145 ASP 1.62 -0.63 1 146 TYR -0.73 -0.46 1 147 THR -3.83 1.98 1 148 ARG -5.30 4.53 1 149 SER 2.57 -1.91 1 150 MET 2.48 -0.90 1 151 GLN -0.84 1.70 1 152 GLU -3.91 2.40 1 153 LYS 2.35 -2.85 1 154 PHE -0.79 -1.13 1 156 SER -3.81 2.69 1 157 ILE -3.92 1.50 1 158 TYR -7.68 6.13 1 160 PHE -2.85 0.24 1 161 THR -1.93 1.46 1 162 THR 3.60 -1.09 1 163 ASP 0.35 -1.10 1 165 GLN -2.59 1.57 1 166 MET -0.85 -1.04 1 167 ILE -2.84 1.86 1 168 GLN 0.12 0.93 1 169 VAL 0.67 -0.90 1 170 ASP -1.75 1.32 1 171 THR -1.56 -0.11 1 172 ALA 3.11 -2.57 1 173 PHE -2.95 3.19 1 174 GLN -0.56 -0.92 1 175 PHE 3.73 0.40 1 177 ASN -2.02 1.22 1 179 ILE -3.66 1.60 1 180 ALA -5.58 4.40 1 181 VAL -3.05 1.42 1 182 ARG -4.02 1.97 1 183 HIS -0.96 3.04 1 184 MET -1.16 0.75 1 185 ASN 4.63 -1.53 1 186 ASP 0.55 -1.24 1 188 ARG 0.45 0.79 1 190 TYR -3.11 3.06 1 191 GLN -6.70 5.17 1 192 LEU -5.57 3.22 1 193 ILE -2.40 -0.10 1 194 VAL -5.38 3.75 1 195 ALA -2.82 1.82 1 196 GLU -4.10 2.57 1 197 THR 0.74 -0.92 1 199 THR 5.87 -5.23 1 200 LYS -4.85 4.37 1 201 LYS -3.26 1.60 1 202 LEU -2.99 1.85 1 203 TRP -6.12 4.01 1 204 SER -5.72 4.10 1 205 TYR -0.07 -0.05 1 206 ASP 0.39 0.55 1 207 ILE -1.36 -0.96 1 208 LYS 1.26 -0.35 1 211 ALA -1.23 0.47 1 212 LYS -5.67 2.85 1 213 ILE -6.46 4.45 1 214 GLU 2.83 -2.32 1 215 ASN 0.04 0.62 1 216 LYS -3.83 2.95 1 217 LYS 4.71 -2.26 1 218 VAL -0.60 2.41 1 219 TRP -3.55 3.77 1 221 HIS -2.03 -2.17 1 222 ILE 0.09 -1.27 1 225 THR -2.10 2.52 1 226 HIS 1.10 -0.80 1 227 GLU -1.59 2.27 1 230 ALA -1.25 0.76 1 231 ASP -5.97 5.41 1 233 MET -6.19 7.43 1 234 ASP -1.14 1.81 1 235 PHE -3.42 1.34 1 236 ASP 3.18 -0.89 1 237 GLU -0.22 -0.23 1 238 ASP 5.30 -2.61 1 239 ASN 1.29 -0.53 1 240 ASN -3.58 2.42 1 241 LEU 0.48 0.52 1 242 LEU -5.49 3.24 1 243 VAL 2.00 -1.09 1 244 ALA -0.89 -1.07 1 245 ASN 2.34 2.45 1 246 TRP -3.24 4.21 1 248 SER 3.85 -2.15 1 249 SER -2.04 2.99 1 250 HIS -3.43 2.18 1 251 ILE -4.36 1.82 1 252 GLU -0.88 -0.03 1 253 VAL -3.78 3.55 1 254 PHE -0.43 -0.09 1 257 ASP -0.64 -0.02 1 260 GLN -1.00 0.56 1 262 LYS -4.38 4.05 1 263 MET -6.35 4.41 1 264 ARG -2.46 1.18 1 265 ILE 0.87 -0.55 1 266 ARG -5.65 1.05 1 269 PHE -1.41 2.81 1 270 GLU -3.15 1.44 1 271 LYS -2.96 1.16 1 273 SER -5.52 3.21 1 274 ASN -4.17 3.00 1 276 HIS 0.28 0.23 1 277 PHE -0.25 -0.03 1 278 LYS 4.42 -2.86 1 280 GLN -4.76 3.58 1 281 THR -0.42 -0.49 1 282 LYS 2.38 -0.44 1 283 THR 0.39 -0.75 1 284 ILE -2.65 1.77 1 285 PHE -6.31 3.95 1 286 VAL -1.94 -0.24 1 287 THR -4.10 2.87 1 288 GLU -5.82 4.68 1 289 HIS 2.10 0.39 1 290 GLU -0.87 -0.13 1 291 ASN 4.50 -2.57 1 292 ASN -6.49 4.76 1 293 ALA -4.12 1.98 1 294 VAL -6.86 5.11 1 295 TRP -4.34 2.17 1 296 LYS -3.58 1.66 1 297 PHE -2.71 1.17 1 298 GLU -7.53 2.50 1 299 TRP 0.36 0.11 1 300 GLN -2.86 0.47 1 301 ARG -0.14 -0.29 1 302 ASN -0.82 -1.00 1 304 LYS 3.65 -0.83 1 305 LYS -1.93 1.80 1 306 GLN 2.53 0.47 1 307 TYR -2.63 2.73 1 309 GLU -1.82 1.62 1 310 THR -2.14 1.26 1 311 LEU 0.26 0.40 1 312 LYS 0.04 0.04 1 313 PHE 1.42 -0.13 1 315 ILE 1.25 0.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5618_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.23 _LACS_plot.Line_1_terminator_val_y_1 0.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 5.87 _LACS_plot.Line_2_terminator_val_y_2 -0.48 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 275 LEU -4.17 2.06 0 11 LEU 0.61 0.20 1 12 PHE -3.15 0.80 1 13 THR -1.47 0.47 1 14 LYS 3.76 -0.80 1 15 VAL 0.80 -0.10 1 16 THR 2.35 0.22 1 17 GLU -4.74 0.57 1 18 ASP 3.10 -0.27 1 19 ILE -0.23 -0.04 1 22 ALA 1.50 -0.17 1 23 GLU -5.96 0.71 1 26 VAL -2.58 -0.60 1 27 PHE -5.55 1.58 1 28 ASP -3.13 0.87 1 29 LYS 4.88 -0.18 1 30 ASN -0.60 0.16 1 32 ASP 0.31 0.26 1 33 PHE -5.23 0.08 1 34 TYR -4.50 0.64 1 35 ILE -6.54 0.14 1 36 VAL -4.08 0.88 1 37 ALA -6.73 0.56 1 39 GLU -0.19 -0.08 1 40 VAL 3.18 -0.41 1 41 GLU -6.34 0.59 1 42 VAL -1.09 0.05 1 43 ASN 2.72 -0.36 1 45 LYS -2.07 0.31 1 47 ALA -1.23 0.30 1 49 GLU -7.60 0.68 1 50 ILE 0.66 0.19 1 51 LEU -3.97 0.98 1 52 ARG -4.60 0.31 1 53 ILE -3.89 0.46 1 54 ASP -1.69 0.01 1 55 LEU 2.67 -0.34 1 56 LYS 2.88 -0.01 1 57 THR -2.26 0.17 1 59 LYS 1.21 -0.13 1 60 LYS -2.73 0.62 1 61 THR -2.00 0.12 1 62 VAL 3.04 -0.16 1 63 ILE -0.57 0.27 1 65 LYS -1.40 0.39 1 67 GLU -3.41 0.67 1 68 VAL -1.92 0.19 1 69 ASN 2.51 -0.28 1 71 TYR 1.51 -0.23 1 74 ILE -2.69 -0.13 1 76 ALA -2.94 0.22 1 79 GLN -8.23 0.64 1 81 ASP -1.26 0.25 1 82 ARG 0.87 -0.28 1 83 ASP 3.35 -0.24 1 84 ALA -4.17 0.08 1 85 ASN 1.11 0.04 1 86 GLN -1.95 0.34 1 87 LEU -3.42 0.73 1 88 PHE -0.71 0.39 1 89 VAL -4.83 0.82 1 90 ALA -1.17 -0.09 1 91 ASP -7.13 0.66 1 92 MET 0.90 -0.20 1 93 ARG -2.81 0.40 1 94 LEU -2.32 0.29 1 96 LEU -3.71 0.73 1 97 LEU -6.27 0.88 1 98 VAL -1.34 0.62 1 99 VAL -3.11 0.46 1 100 GLN -2.62 0.33 1 101 THR 5.10 -0.55 1 102 ASP 0.21 -0.01 1 104 THR 1.32 0.01 1 105 PHE -6.43 1.23 1 106 GLU -6.33 0.09 1 107 GLU -2.24 0.09 1 108 ILE 1.56 -0.16 1 109 ALA -3.02 0.30 1 110 LYS 0.40 -0.05 1 111 LYS -6.16 0.61 1 112 ASP -2.78 0.14 1 113 SER 4.29 -0.25 1 114 GLU -0.69 0.24 1 116 ARG -0.06 0.02 1 117 ARG 2.65 -0.21 1 118 MET 0.23 -0.12 1 119 GLN -4.63 0.27 1 122 ASN -4.35 0.05 1 123 ASP -6.74 0.39 1 125 ALA -4.53 0.50 1 126 PHE -0.17 0.83 1 127 ASP -6.46 0.57 1 128 TYR 1.24 0.30 1 129 GLU -0.11 0.12 1 131 ASN 0.95 -0.26 1 132 LEU -3.36 0.04 1 133 TRP -1.00 0.39 1 134 ILE -5.88 0.74 1 135 THR -1.94 0.10 1 136 ALA -4.37 0.98 1 138 ALA -3.76 0.92 1 140 GLU 0.02 -0.05 1 141 VAL -1.88 -0.07 1 142 ALA 2.50 -0.64 1 144 ALA 0.79 -0.15 1 145 ASP 1.62 -0.11 1 146 TYR -0.73 0.42 1 147 THR -3.83 0.18 1 148 ARG -5.30 0.59 1 149 SER 2.57 -0.55 1 150 MET 2.48 -0.06 1 151 GLN -0.84 0.13 1 152 GLU -3.91 0.10 1 153 LYS 2.35 -0.26 1 154 PHE -0.79 0.63 1 156 SER -3.81 0.84 1 157 ILE -3.92 0.67 1 158 TYR -7.68 1.09 1 160 PHE -2.85 1.34 1 161 THR -1.93 0.28 1 162 THR 3.60 -0.34 1 163 ASP 0.35 0.05 1 165 GLN -2.59 0.16 1 166 MET -0.85 0.90 1 167 ILE -2.84 0.39 1 168 GLN 0.12 -0.08 1 169 VAL 0.67 0.33 1 170 ASP -1.75 0.20 1 171 THR -1.56 0.72 1 172 ALA 3.11 -0.34 1 173 PHE -2.95 -0.32 1 174 GLN -0.56 0.31 1 175 PHE 3.73 -1.38 1 177 ASN -2.02 0.02 1 179 ILE -3.66 1.13 1 180 ALA -5.58 0.14 1 181 VAL -3.05 0.35 1 182 ARG -4.02 -0.32 1 183 HIS -0.96 0.38 1 184 MET -1.16 0.06 1 185 ASN 4.63 -0.25 1 186 ASP 0.55 -0.11 1 190 TYR -3.11 0.70 1 191 GLN -6.70 0.95 1 192 LEU -5.57 0.23 1 193 ILE -2.40 0.81 1 194 VAL -5.38 0.40 1 195 ALA -2.82 0.25 1 196 GLU -4.10 0.49 1 199 THR 0.74 0.02 1 200 LYS 5.87 0.11 1 201 LYS -4.85 0.51 1 202 LEU -3.26 0.67 1 203 TRP -2.99 0.43 1 204 SER -6.12 1.55 1 205 TYR -5.72 0.11 1 206 ASP -0.07 0.26 1 207 ILE 0.39 0.08 1 208 LYS -1.36 0.33 1 211 ALA 1.26 -0.94 1 212 LYS -1.23 0.48 1 213 ILE -5.67 1.27 1 214 GLU -6.46 0.57 1 215 ASN 2.83 -0.37 1 216 LYS 0.04 0.05 1 217 LYS -3.83 0.51 1 218 VAL 4.71 -0.94 1 219 TRP -0.60 -0.37 1 221 HIS -3.55 0.22 1 222 ILE -2.03 0.17 1 225 THR 0.09 0.22 1 226 HIS -2.10 -0.23 1 227 GLU 1.10 -0.01 1 230 ALA -1.59 0.28 1 231 ASP -1.25 0.20 1 233 MET -5.97 1.52 1 234 ASP -6.19 0.26 1 235 PHE -1.14 1.13 1 236 ASP -3.42 0.06 1 237 GLU 3.18 -0.47 1 238 ASP -0.22 0.37 1 239 ASN 5.30 -0.37 1 240 ASN 1.29 0.62 1 241 LEU -3.58 0.04 1 242 LEU 0.48 0.91 1 243 VAL -5.49 0.62 1 244 ALA 2.00 -0.27 1 245 ASN -0.89 0.38 1 246 TRP 2.34 -0.49 1 248 SER -3.24 -0.46 1 249 SER 3.85 0.04 1 250 HIS -2.04 0.88 1 251 ILE -3.43 0.37 1 252 GLU -4.36 0.81 1 253 VAL -0.88 0.88 1 254 PHE -3.78 0.11 1 257 ASP -0.43 0.29 1 260 GLN -0.64 0.32 1 262 LYS -1.00 0.14 1 263 MET -4.38 0.38 1 264 ARG -6.35 0.90 1 265 ILE -2.46 0.40 1 266 ARG 0.87 -0.65 1 269 PHE -5.65 0.04 1 270 GLU -1.41 0.09 1 271 LYS -3.15 -0.40 1 273 SER -2.96 0.79 1 274 ASN -5.52 0.24 1 276 HIS -5.24 0.13 1 277 PHE 0.28 0.65 1 280 GLN 4.42 -0.56 1 281 THR -4.76 0.63 1 282 LYS -0.42 0.52 1 283 THR 2.38 -0.14 1 284 ILE 0.39 -0.16 1 285 PHE -2.65 0.71 1 286 VAL -6.31 1.37 1 287 THR -1.94 1.00 1 288 GLU -4.10 0.70 1 289 HIS -5.82 0.31 1 290 GLU 2.10 0.04 1 291 ASN -0.87 0.22 1 292 ASN 4.50 0.22 1 293 ALA -6.49 0.63 1 294 VAL -4.12 1.25 1 295 TRP -6.86 0.96 1 296 LYS -4.34 1.68 1 297 PHE -3.58 0.14 1 298 GLU -2.71 0.29 1 299 TRP -7.53 0.83 1 300 GLN 0.36 -0.54 1 301 ARG -2.86 0.12 1 302 ASN -0.14 0.08 1 304 LYS -0.82 -0.10 1 305 LYS 3.65 -0.16 1 306 GLN -1.93 0.55 1 307 TYR 2.53 -0.18 1 309 GLU -2.63 0.10 1 310 THR -1.82 -0.15 1 311 LEU -2.14 0.02 1 312 LYS 0.26 -0.24 1 313 PHE 0.04 0.04 1 315 ILE 1.42 -0.11 1 316 PHE 1.25 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5618_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.23 _LACS_plot.Line_1_terminator_val_y_1 -1.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 5.87 _LACS_plot.Line_2_terminator_val_y_2 0.10 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ALA 2.50 -53.10 0 11 LEU 0.61 -0.05 1 12 PHE -3.15 0.43 1 13 THR -1.47 -0.89 1 14 LYS 3.76 -0.58 1 15 VAL 0.80 -0.77 1 16 THR 2.35 -3.21 1 17 GLU -4.74 -3.12 1 18 ASP 3.10 -1.63 1 19 ILE -0.23 -1.74 1 22 ALA 1.50 -1.49 1 23 GLU -5.96 0.61 1 26 VAL -2.58 -4.68 1 27 PHE -5.55 1.38 1 28 ASP -3.13 2.76 1 29 LYS 4.88 1.79 1 30 ASN -0.60 0.38 1 32 ASP 0.31 -2.40 1 33 PHE -5.23 -3.21 1 34 TYR -4.50 -2.75 1 35 ILE -6.54 -2.23 1 36 VAL -4.08 -2.96 1 37 ALA -6.73 -2.65 1 39 GLU -0.19 -1.11 1 40 VAL 3.18 -0.81 1 41 GLU -6.34 -0.84 1 42 VAL -1.09 0.50 1 43 ASN 2.72 0.20 1 45 LYS -2.07 -1.19 1 47 ALA -1.23 -2.02 1 49 GLU -7.60 -2.10 1 50 ILE 0.66 -1.75 1 51 LEU -3.97 -2.79 1 52 ARG -4.60 -0.79 1 53 ILE -3.89 -0.99 1 54 ASP -1.69 0.76 1 55 LEU 2.67 0.98 1 56 LYS 2.88 1.82 1 57 THR -2.26 1.89 1 59 LYS 1.21 -0.23 1 60 LYS -2.73 -0.37 1 61 THR -2.00 -1.14 1 62 VAL 3.04 -0.14 1 63 ILE -0.57 -0.74 1 65 LYS -1.40 -1.76 1 67 GLU -3.41 -1.87 1 68 VAL -1.92 0.59 1 69 ASN 2.51 -0.69 1 71 TYR 1.51 -1.09 1 74 ILE -2.69 -3.39 1 76 ALA -2.94 -2.29 1 79 GLN -8.23 -1.69 1 81 ASP -1.26 -3.19 1 82 ARG 0.87 1.49 1 83 ASP 3.35 -1.19 1 84 ALA -4.17 -2.67 1 85 ASN 1.11 -3.39 1 86 GLN -1.95 -3.63 1 87 LEU -3.42 -1.83 1 88 PHE -0.71 -0.86 1 89 VAL -4.83 -1.75 1 90 ALA -1.17 -4.48 1 91 ASP -7.13 2.67 1 92 MET 0.90 0.54 1 93 ARG -2.81 0.65 1 94 LEU -2.32 0.52 1 96 LEU -3.71 -3.42 1 97 LEU -6.27 -1.50 1 98 VAL -1.34 -0.43 1 99 VAL -3.11 -1.25 1 100 GLN -2.62 2.71 1 101 THR 5.10 0.40 1 102 ASP 0.21 1.25 1 104 THR 1.32 -1.68 1 105 PHE -6.43 -2.61 1 106 GLU -6.33 -1.46 1 107 GLU -2.24 0.30 1 108 ILE 1.56 -1.00 1 109 ALA -3.02 -1.94 1 110 LYS 0.40 0.39 1 111 LYS -6.16 -1.52 1 112 ASP -2.78 3.14 1 113 SER 4.29 1.47 1 114 GLU -0.69 0.28 1 116 ARG -0.06 0.99 1 117 ARG 2.65 1.03 1 118 MET 0.23 -0.69 1 119 GLN -4.63 -0.14 1 122 ASN -4.35 -2.44 1 123 ASP -6.74 -2.81 1 125 ALA -4.53 -0.86 1 126 PHE -0.17 3.15 1 127 ASP -6.46 2.61 1 128 TYR 1.24 2.60 1 129 GLU -0.11 0.45 1 131 ASN 0.95 -2.60 1 132 LEU -3.36 -4.17 1 133 TRP -1.00 0.90 1 134 ILE -5.88 -0.27 1 135 THR -1.94 0.13 1 136 ALA -4.37 -1.77 1 138 ALA -3.76 -2.03 1 140 GLU 0.02 0.14 1 141 VAL -1.88 0.24 1 144 ALA 0.79 -0.03 1 145 ASP 1.62 0.63 1 146 TYR -0.73 -0.72 1 147 THR -3.83 -2.23 1 148 ARG -5.30 0.88 1 149 SER 2.57 -2.01 1 150 MET 2.48 0.95 1 151 GLN -0.84 -0.85 1 152 GLU -3.91 -1.02 1 153 LYS 2.35 -0.64 1 154 PHE -0.79 -0.61 1 156 SER -3.81 -4.65 1 157 ILE -3.92 -0.88 1 158 TYR -7.68 -1.07 1 160 PHE -2.85 0.90 1 161 THR -1.93 2.65 1 162 THR 3.60 1.10 1 163 ASP 0.35 0.03 1 165 GLN -2.59 -2.48 1 166 MET -0.85 -2.90 1 167 ILE -2.84 -0.09 1 168 GLN 0.12 -0.22 1 169 VAL 0.67 -0.63 1 170 ASP -1.75 -1.79 1 171 THR -1.56 -2.46 1 172 ALA 3.11 -1.19 1 173 PHE -2.95 -0.70 1 174 GLN -0.56 -3.29 1 175 PHE 3.73 -2.30 1 177 ASN -2.02 -1.32 1 179 ILE -3.66 -4.17 1 180 ALA -5.58 -3.77 1 181 VAL -3.05 -2.34 1 182 ARG -4.02 -0.67 1 183 HIS -0.96 2.96 1 184 MET -1.16 2.54 1 185 ASN 4.63 0.38 1 186 ASP 0.55 0.73 1 188 ARG 0.45 1.46 1 190 TYR -3.11 -0.80 1 191 GLN -6.70 -3.62 1 192 LEU -5.57 -3.33 1 193 ILE -2.40 -1.85 1 194 VAL -5.38 -0.68 1 195 ALA -2.82 -2.35 1 196 GLU -4.10 0.09 1 197 THR 0.74 0.59 1 199 THR 5.87 -0.47 1 200 LYS -4.85 -0.82 1 201 LYS -3.26 -1.62 1 202 LEU -2.99 -1.61 1 203 TRP -6.12 -2.14 1 204 SER -5.72 0.91 1 205 TYR -0.07 -0.27 1 206 ASP 0.39 0.22 1 207 ILE -1.36 -0.43 1 208 LYS 1.26 -3.53 1 211 ALA -1.23 -2.16 1 212 LYS -5.67 -0.84 1 213 ILE -6.46 -1.76 1 214 GLU 2.83 -2.05 1 215 ASN 0.04 1.83 1 216 LYS -3.83 -1.79 1 217 LYS 4.71 -1.38 1 218 VAL -0.60 0.15 1 219 TRP -3.55 0.29 1 221 HIS -2.03 -1.52 1 222 ILE 0.09 -0.05 1 225 THR -2.10 0.48 1 226 HIS 1.10 -0.69 1 227 GLU -1.59 -2.50 1 230 ALA -1.25 -0.20 1 231 ASP -5.97 0.03 1 233 MET -6.19 -1.49 1 234 ASP -1.14 1.97 1 235 PHE -3.42 3.24 1 236 ASP 3.18 -0.17 1 237 GLU -0.22 -0.55 1 238 ASP 5.30 -0.22 1 239 ASN 1.29 -0.39 1 240 ASN -3.58 -2.73 1 241 LEU 0.48 -1.26 1 242 LEU -5.49 -0.21 1 243 VAL 2.00 -3.16 1 244 ALA -0.89 1.31 1 245 ASN 2.34 1.71 1 246 TRP -3.24 3.44 1 248 SER 3.85 -3.39 1 249 SER -2.04 0.29 1 250 HIS -3.43 -0.99 1 251 ILE -4.36 0.11 1 252 GLU -0.88 -0.77 1 253 VAL -3.78 1.95 1 254 PHE -0.43 0.89 1 257 ASP -0.64 -0.99 1 260 GLN -1.00 0.07 1 262 LYS -4.38 -3.96 1 263 MET -6.35 -1.88 1 264 ARG -2.46 -1.00 1 265 ILE 0.87 -1.48 1 266 ARG -5.65 0.67 1 269 PHE -1.41 2.74 1 270 GLU -3.15 -5.15 1 271 LYS -2.96 -2.05 1 273 SER -5.52 -2.20 1 274 ASN -4.17 -0.13 1 275 LEU -5.24 0.20 1 276 HIS 0.28 1.51 1 277 PHE -0.25 0.84 1 278 LYS 4.42 -1.27 1 280 GLN -4.76 -1.79 1 281 THR -0.42 -0.88 1 282 LYS 2.38 -1.71 1 283 THR 0.39 -1.49 1 284 ILE -2.65 0.00 1 285 PHE -6.31 -0.84 1 286 VAL -1.94 -0.32 1 287 THR -4.10 1.05 1 288 GLU -5.82 1.80 1 289 HIS 2.10 0.98 1 290 GLU -0.87 0.50 1 291 ASN 4.50 -2.35 1 292 ASN -6.49 -2.79 1 293 ALA -4.12 -1.92 1 294 VAL -6.86 -1.79 1 295 TRP -4.34 -1.90 1 296 LYS -3.58 -4.62 1 297 PHE -2.71 -0.46 1 298 GLU -7.53 -2.69 1 299 TRP 0.36 -0.71 1 300 GLN -2.86 -3.43 1 301 ARG -0.14 -0.32 1 302 ASN -0.82 2.61 1 304 LYS 3.65 2.82 1 305 LYS -1.93 1.25 1 306 GLN 2.53 3.33 1 307 TYR -2.63 0.50 1 309 GLU -1.82 -1.49 1 310 THR -2.14 -0.74 1 311 LEU 0.26 -0.54 1 312 LYS 0.04 -0.59 1 313 PHE 1.42 -1.38 1 315 ILE 1.25 4.62 1 stop_ save_