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 bmr16475_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.03 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.54 _LACS_plot.Line_2_terminator_val_x_2 8.36 _LACS_plot.Line_2_terminator_val_y_2 6.05 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 HIS 8.36 13.47 0 10 ILE -0.14 0.51 1 11 VAL -5.33 -1.92 1 12 GLN -6.07 -1.53 1 13 ALA -5.62 -0.85 1 14 THR -3.28 -1.27 1 16 VAL -2.27 -0.74 1 18 LEU 2.36 3.54 1 19 HIS 4.59 5.67 1 20 THR 0.27 1.78 1 22 LYS -2.11 -1.22 1 23 LYS 1.94 0.75 1 24 VAL -3.29 -0.30 1 25 THR 0.50 0.73 1 26 LEU -6.23 -2.12 1 28 LEU -1.28 -1.28 1 29 ARG -3.16 -1.15 1 33 ALA 0.81 0.30 1 34 ASN 4.35 1.95 1 35 THR 3.81 3.63 1 37 VAL 0.61 0.04 1 38 ILE -2.92 -1.14 1 39 TYR -1.48 -0.27 1 40 ARG -4.15 -1.04 1 41 ARG -1.64 -0.11 1 42 THR 1.54 -0.59 1 43 ASP 3.85 0.38 1 44 LEU -2.96 -1.50 1 45 ASN -3.84 -1.64 1 48 VAL -2.70 -0.30 1 49 ASP -1.32 -0.56 1 50 PHE -1.85 -1.49 1 52 ALA 3.61 1.49 1 53 ASP -2.87 -0.32 1 54 ALA 2.70 2.44 1 55 LYS 2.98 1.57 1 56 SER 0.25 0.03 1 57 VAL -1.24 -0.45 1 58 ARG -3.60 -2.19 1 59 ASP -1.99 -0.08 1 60 THR -3.04 -1.53 1 62 LEU 2.76 4.02 1 64 THR -0.75 -0.32 1 66 LEU -2.29 -1.13 1 67 VAL -5.55 -2.77 1 68 ASN -3.23 -2.52 1 69 GLU 3.08 1.87 1 70 HIS -0.14 -0.20 1 71 ASP 3.51 2.25 1 72 VAL 1.78 0.88 1 73 ARG -3.85 -0.57 1 76 THR 5.32 0.83 1 77 VAL 1.28 -0.06 1 78 GLU 3.28 1.95 1 79 HIS -0.68 0.73 1 80 LEU 6.00 3.08 1 81 ASN 5.44 4.25 1 83 ALA -5.11 3.22 1 85 ALA 0.76 1.65 1 87 LEU 0.12 -1.40 1 91 ASN 6.28 1.68 1 92 ILE -3.90 -2.33 1 93 VAL -2.07 -0.59 1 94 ILE 2.11 -0.73 1 95 GLU -0.51 -1.89 1 96 VAL -5.09 -2.16 1 97 ASN 1.00 -1.10 1 100 GLU -6.75 -3.98 1 101 ILE -1.02 -2.02 1 103 ILE -5.00 -3.02 1 104 MET 5.59 -0.09 1 105 ASP -0.77 -1.16 1 107 SER -4.34 -1.63 1 108 ALA -2.86 -0.38 1 109 ALA 8.31 6.55 1 111 PHE 3.14 1.56 1 112 VAL 6.77 5.34 1 113 TYR 5.44 2.91 1 114 LEU 2.42 2.96 1 116 LEU 3.32 1.81 1 117 ASP 3.07 2.71 1 118 ALA 1.29 1.98 1 120 ILE -0.18 -0.60 1 122 GLU -2.84 -1.17 1 123 LEU -3.84 -2.09 1 124 ASN 2.20 -0.17 1 126 ALA 2.48 1.49 1 127 LYS -0.56 0.40 1 128 LYS -1.06 -0.61 1 129 PHE -2.70 -1.24 1 130 VAL -0.09 0.41 1 131 ARG -3.56 -0.80 1 132 ILE 1.38 -1.48 1 133 LYS -0.65 0.86 1 134 GLU -6.18 -2.11 1 135 THR 2.74 1.86 1 136 VAL -3.03 0.17 1 137 ARG -4.90 -1.29 1 138 VAL -4.64 -2.04 1 139 GLU -5.73 -1.71 1 140 ASP -1.79 -0.33 1 142 ASP 1.21 0.14 1 143 LYS -1.92 -0.77 1 144 TRP -3.26 -0.95 1 145 ALA -2.83 -0.35 1 146 GLU -7.74 -1.39 1 147 PHE -5.91 -0.78 1 148 LYS -2.55 0.04 1 150 TYR -2.58 0.43 1 151 ASN 1.52 -1.09 1 153 PHE -2.26 -1.65 1 154 SER -3.69 -2.08 1 155 LEU -3.33 0.72 1 156 ASP -2.20 -0.30 1 157 PHE -6.09 -0.32 1 158 THR -1.25 0.13 1 159 ILE -1.78 0.03 1 160 ASP -0.75 -1.03 1 161 PHE -0.36 0.15 1 162 ASN 0.21 -0.38 1 165 ALA 0.81 0.51 1 166 ILE 0.23 -0.54 1 167 ASP -0.81 0.37 1 168 SER 4.10 3.07 1 169 SER 3.14 2.25 1 170 ASN -0.12 0.77 1 171 GLN 1.53 1.32 1 172 ARG -4.06 -1.52 1 173 TYR -3.80 0.42 1 174 ALA -3.99 -1.99 1 175 MET -4.14 -0.22 1 176 ASN 0.45 -0.15 1 177 PHE 2.24 3.75 1 178 SER -2.42 -0.91 1 179 ALA 5.10 3.88 1 180 ASP 3.45 3.66 1 181 ALA 3.68 2.68 1 182 PHE 5.00 3.75 1 183 MET 4.94 5.33 1 184 ARG 2.89 3.38 1 185 GLN 1.17 0.90 1 186 ILE -0.64 -0.90 1 187 SER 6.21 4.72 1 188 ARG 0.52 0.36 1 189 ALA 0.78 0.35 1 190 ARG -2.81 0.34 1 191 THR 1.48 -0.57 1 192 PHE -8.03 -4.07 1 194 PHE -1.16 -1.28 1 195 MET 3.44 3.31 1 196 ARG 4.86 3.31 1 197 ASP 3.99 2.96 1 198 ILE 6.05 5.90 1 199 GLU 3.54 3.11 1 200 TYR 5.13 4.04 1 201 LEU 3.98 3.30 1 202 GLN 6.89 3.75 1 203 SER 4.55 3.07 1 204 ARG -0.02 -1.02 1 206 LEU -4.18 -2.22 1 208 LEU 3.77 2.13 1 211 SER -1.85 -0.46 1 212 PHE 3.35 1.80 1 213 ASP 2.00 1.55 1 215 ALA -3.33 -0.23 1 216 ILE 1.41 1.18 1 217 VAL -1.07 -0.77 1 218 VAL -5.59 -3.81 1 219 ASP -0.29 -1.48 1 220 ASP 4.07 3.18 1 221 TYR -1.33 1.13 1 222 ARG -3.12 -0.58 1 223 VAL 0.99 1.33 1 224 LEU 0.06 0.72 1 225 ASN 4.11 2.25 1 226 GLU 3.73 3.05 1 227 ASP 0.97 -1.27 1 229 LEU -1.69 -1.12 1 230 ARG 1.93 2.04 1 231 PHE -6.31 -3.12 1 232 GLU 4.41 3.09 1 233 ASP 1.16 -2.68 1 234 GLU 5.32 5.17 1 235 PHE 4.79 2.50 1 236 VAL 4.92 3.21 1 237 ARG 5.05 4.36 1 238 HIS 6.30 5.31 1 239 LYS 4.15 0.86 1 240 MET 5.21 3.84 1 241 LEU 5.67 4.52 1 242 ASP 4.31 2.72 1 243 ALA 4.25 2.65 1 244 ILE 6.47 5.39 1 246 ASP 3.24 3.35 1 247 LEU 3.06 1.82 1 248 PHE -0.58 -0.07 1 249 MET 2.68 0.49 1 252 HIS -4.39 -0.88 1 253 ASN 1.24 3.25 1 254 ILE -3.80 -0.92 1 255 ILE -1.91 -1.13 1 257 ALA -1.88 -1.08 1 258 PHE -2.79 -1.71 1 259 THR -1.49 -0.58 1 260 ALA -6.62 -1.77 1 261 TYR -1.24 -1.69 1 262 LYS 5.85 2.04 1 263 SER -2.03 -1.61 1 266 ALA 4.23 3.26 1 267 LEU 4.17 2.37 1 268 ASN 4.99 2.65 1 269 ASN 3.84 4.98 1 270 LYS 5.31 3.92 1 271 LEU 5.37 2.83 1 272 LEU 3.12 3.11 1 273 GLN 5.09 5.12 1 274 ALA 3.77 2.67 1 275 VAL 4.74 4.44 1 276 LEU 3.22 1.48 1 277 ALA 1.42 0.95 1 278 LYS -0.36 -1.23 1 279 GLN 4.69 3.46 1 280 GLU 2.50 1.17 1 281 ALA 0.19 0.57 1 282 TRP -3.60 -2.46 1 283 GLU -4.64 -2.47 1 284 TYR -0.68 -0.28 1 285 VAL -4.92 -1.95 1 286 THR -4.56 -2.46 1 287 PHE -1.35 -0.30 1 288 GLN 2.52 1.92 1 289 ASP -1.74 -1.27 1 290 ASP 3.76 2.72 1 291 ALA 2.49 1.51 1 292 GLU -1.03 -0.24 1 293 LEU -2.37 -2.11 1 298 LYS 1.15 0.86 1 299 ALA 1.07 0.47 1 301 SER 1.08 0.72 1 302 ALA 0.28 0.34 1 303 VAL 0.33 0.38 1 304 LEU 0.00 0.00 1 305 ALA 0.11 1.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16475_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.03 _LACS_plot.Line_1_terminator_val_y_1 5.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 8.36 _LACS_plot.Line_2_terminator_val_y_2 -2.31 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 HIS 8.36 5.11 0 10 ILE -0.14 0.65 1 11 VAL -5.33 3.41 1 12 GLN -6.07 4.54 1 13 ALA -5.62 4.77 1 14 THR -3.28 2.01 1 16 VAL -2.27 1.53 1 18 LEU 2.36 1.18 1 19 HIS 4.59 1.08 1 20 THR 0.27 1.51 1 22 LYS -2.11 0.89 1 23 LYS 1.94 -1.19 1 24 VAL -3.29 2.99 1 25 THR 0.50 0.23 1 26 LEU -6.23 4.11 1 28 LEU -1.28 0.00 1 29 ARG -3.16 2.01 1 33 ALA 0.81 -0.51 1 34 ASN 4.35 -2.40 1 35 THR 3.81 -0.18 1 37 VAL 0.61 -0.57 1 38 ILE -2.92 1.78 1 39 TYR -1.48 1.21 1 40 ARG -4.15 3.11 1 41 ARG -1.64 1.53 1 42 THR 1.54 -2.13 1 43 ASP 3.85 -3.47 1 44 LEU -2.96 1.46 1 45 ASN -3.84 2.20 1 48 VAL -2.70 2.40 1 49 ASP -1.32 0.76 1 50 PHE -1.85 0.36 1 52 ALA 3.61 -2.12 1 53 ASP -2.87 2.55 1 54 ALA 2.70 -0.26 1 55 LYS 2.98 -1.41 1 56 SER 0.25 -0.22 1 57 VAL -1.24 0.79 1 58 ARG -3.60 1.41 1 59 ASP -1.99 1.91 1 60 THR -3.04 1.51 1 62 LEU 2.76 1.26 1 64 THR -0.75 0.43 1 66 LEU -2.29 1.16 1 67 VAL -5.55 2.78 1 68 ASN -3.23 0.71 1 69 GLU 3.08 -1.21 1 70 HIS -0.14 -0.06 1 71 ASP 3.51 -1.26 1 72 VAL 1.78 -0.90 1 73 ARG -3.85 3.28 1 76 THR 5.32 -4.49 1 77 VAL 1.28 -1.34 1 78 GLU 3.28 -1.33 1 79 HIS -0.68 1.41 1 80 LEU 6.00 -2.92 1 81 ASN 5.44 -1.19 1 83 ALA -5.11 8.33 1 85 ALA 0.76 0.89 1 87 LEU 0.12 -1.52 1 91 ASN 6.28 -4.60 1 92 ILE -3.90 1.57 1 93 VAL -2.07 1.48 1 94 ILE 2.11 -2.84 1 95 GLU -0.51 -1.38 1 96 VAL -5.09 2.93 1 97 ASN 1.00 -2.10 1 100 GLU -6.75 2.77 1 101 ILE -1.02 -1.00 1 103 ILE -5.00 1.98 1 104 MET 5.59 -5.68 1 105 ASP -0.77 -0.39 1 107 SER -4.34 2.71 1 108 ALA -2.86 2.48 1 109 ALA 8.31 -1.76 1 111 PHE 3.14 -1.58 1 112 VAL 6.77 -1.43 1 113 TYR 5.44 -2.53 1 114 LEU 2.42 0.54 1 116 LEU 3.32 -1.51 1 117 ASP 3.07 -0.36 1 118 ALA 1.29 0.69 1 120 ILE -0.18 -0.42 1 122 GLU -2.84 1.67 1 123 LEU -3.84 1.75 1 124 ASN 2.20 -2.37 1 126 ALA 2.48 -0.99 1 127 LYS -0.56 0.96 1 128 LYS -1.06 0.45 1 129 PHE -2.70 1.46 1 130 VAL -0.09 0.50 1 131 ARG -3.56 2.76 1 132 ILE 1.38 -2.86 1 133 LYS -0.65 1.51 1 134 GLU -6.18 4.07 1 135 THR 2.74 -0.88 1 136 VAL -3.03 3.20 1 137 ARG -4.90 3.61 1 138 VAL -4.64 2.60 1 139 GLU -5.73 4.02 1 140 ASP -1.79 1.46 1 142 ASP 1.21 -1.07 1 143 LYS -1.92 1.15 1 144 TRP -3.26 2.31 1 145 ALA -2.83 2.48 1 146 GLU -7.74 6.35 1 147 PHE -5.91 5.13 1 148 LYS -2.55 2.59 1 150 TYR -2.58 3.01 1 151 ASN 1.52 -2.61 1 153 PHE -2.26 0.61 1 154 SER -3.69 1.61 1 155 LEU -3.33 4.05 1 156 ASP -2.20 1.90 1 157 PHE -6.09 5.77 1 158 THR -1.25 1.38 1 159 ILE -1.78 1.81 1 160 ASP -0.75 -0.28 1 161 PHE -0.36 0.51 1 162 ASN 0.21 -0.59 1 165 ALA 0.81 -0.30 1 166 ILE 0.23 -0.77 1 167 ASP -0.81 1.18 1 168 SER 4.10 -1.03 1 169 SER 3.14 -0.89 1 170 ASN -0.12 0.89 1 171 GLN 1.53 -0.21 1 172 ARG -4.06 2.54 1 173 TYR -3.80 4.22 1 174 ALA -3.99 2.00 1 175 MET -4.14 3.92 1 176 ASN 0.45 -0.60 1 177 PHE 2.24 1.51 1 178 SER -2.42 1.51 1 179 ALA 5.10 -1.22 1 180 ASP 3.45 0.21 1 181 ALA 3.68 -1.00 1 182 PHE 5.00 -1.25 1 183 MET 4.94 0.39 1 184 ARG 2.89 0.49 1 185 GLN 1.17 -0.27 1 186 ILE -0.64 -0.26 1 187 SER 6.21 -1.49 1 188 ARG 0.52 -0.16 1 189 ALA 0.78 -0.43 1 190 ARG -2.81 3.15 1 191 THR 1.48 -2.05 1 192 PHE -8.03 3.96 1 194 PHE -1.16 -0.12 1 195 MET 3.44 -0.13 1 196 ARG 4.86 -1.55 1 197 ASP 3.99 -1.03 1 198 ILE 6.05 -0.15 1 199 GLU 3.54 -0.43 1 200 TYR 5.13 -1.09 1 201 LEU 3.98 -0.68 1 202 GLN 6.89 -3.14 1 203 SER 4.55 -1.48 1 204 ARG -0.02 -1.00 1 206 LEU -4.18 1.96 1 208 LEU 3.77 -1.64 1 211 SER -1.85 1.39 1 212 PHE 3.35 -1.55 1 213 ASP 2.00 -0.45 1 215 ALA -3.33 3.10 1 216 ILE 1.41 -0.23 1 217 VAL -1.07 0.30 1 218 VAL -5.59 1.78 1 219 ASP -0.29 -1.19 1 220 ASP 4.07 -0.89 1 221 TYR -1.33 2.46 1 222 ARG -3.12 2.54 1 223 VAL 0.99 0.34 1 224 LEU 0.06 0.66 1 225 ASN 4.11 -1.86 1 226 GLU 3.73 -0.68 1 227 ASP 0.97 -2.24 1 229 LEU -1.69 0.57 1 230 ARG 1.93 0.11 1 231 PHE -6.31 3.19 1 232 GLU 4.41 -1.32 1 233 ASP 1.16 -3.84 1 234 GLU 5.32 -0.15 1 235 PHE 4.79 -2.29 1 236 VAL 4.92 -1.71 1 237 ARG 5.05 -0.69 1 238 HIS 6.30 -0.99 1 239 LYS 4.15 -3.29 1 240 MET 5.21 -1.37 1 241 LEU 5.67 -1.15 1 242 ASP 4.31 -1.59 1 243 ALA 4.25 -1.60 1 244 ILE 6.47 -1.08 1 246 ASP 3.24 0.11 1 247 LEU 3.06 -1.24 1 248 PHE -0.58 0.51 1 249 MET 2.68 -2.19 1 252 HIS -4.39 3.51 1 253 ASN 1.24 2.01 1 254 ILE -3.80 2.88 1 255 ILE -1.91 0.78 1 257 ALA -1.88 0.80 1 258 PHE -2.79 1.08 1 259 THR -1.49 0.91 1 260 ALA -6.62 4.85 1 261 TYR -1.24 -0.45 1 262 LYS 5.85 -3.81 1 263 SER -2.03 0.42 1 266 ALA 4.23 -0.97 1 267 LEU 4.17 -1.80 1 268 ASN 4.99 -2.34 1 269 ASN 3.84 1.14 1 270 LYS 5.31 -1.39 1 271 LEU 5.37 -2.54 1 272 LEU 3.12 -0.01 1 273 GLN 5.09 0.03 1 274 ALA 3.77 -1.10 1 275 VAL 4.74 -0.30 1 276 LEU 3.22 -1.74 1 277 ALA 1.42 -0.47 1 278 LYS -0.36 -0.87 1 279 GLN 4.69 -1.23 1 280 GLU 2.50 -1.33 1 281 ALA 0.19 0.38 1 282 TRP -3.60 1.14 1 283 GLU -4.64 2.17 1 284 TYR -0.68 0.40 1 285 VAL -4.92 2.97 1 286 THR -4.56 2.10 1 287 PHE -1.35 1.05 1 288 GLN 2.52 -0.60 1 289 ASP -1.74 0.47 1 290 ASP 3.76 -1.04 1 291 ALA 2.49 -0.98 1 292 GLU -1.03 0.79 1 293 LEU -2.37 0.26 1 298 LYS 1.15 -0.29 1 299 ALA 1.07 -0.60 1 301 SER 1.08 -0.36 1 302 ALA 0.28 0.06 1 303 VAL 0.33 0.05 1 304 LEU 0.00 0.00 1 305 ALA 0.11 1.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16475_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.03 _LACS_plot.Line_1_terminator_val_y_1 0.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _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 8.36 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 ASN 6.28 0.84 0 293 LEU -2.37 -1.26 0 78 GLU 3.28 1.45 0 10 ILE -0.14 0.52 1 11 VAL -5.33 0.59 1 12 GLN -6.07 1.36 1 13 ALA -5.62 0.37 1 14 THR -3.28 1.20 1 16 VAL -2.27 0.43 1 18 LEU 2.36 -1.14 1 19 HIS 4.59 -0.46 1 22 LYS -2.11 0.03 1 23 LYS 1.94 0.08 1 24 VAL -3.29 0.09 1 25 THR 0.50 0.47 1 26 LEU -6.23 0.93 1 28 LEU -1.28 0.61 1 29 ARG -3.16 0.39 1 33 ALA 0.81 -0.56 1 34 ASN 4.35 -0.49 1 35 THR 3.81 -0.11 1 37 VAL 0.61 -0.07 1 38 ILE -2.92 0.12 1 39 TYR -1.48 0.38 1 40 ARG -4.15 0.62 1 41 ARG -1.64 1.34 1 43 ASP 3.85 -0.30 1 44 LEU -2.96 -0.10 1 45 ASN -3.84 -0.34 1 48 VAL -2.70 -0.15 1 49 ASP -1.32 0.46 1 52 ALA 3.61 -0.34 1 53 ASP -2.87 0.03 1 54 ALA 2.70 -0.70 1 55 LYS 2.98 -0.11 1 56 SER 0.25 0.11 1 57 VAL -1.24 0.58 1 58 ARG -3.60 0.30 1 59 ASP -1.99 0.33 1 60 THR -3.04 0.31 1 62 LEU 2.76 -0.11 1 64 THR -0.75 0.66 1 66 LEU -2.29 0.67 1 67 VAL -5.55 1.27 1 68 ASN -3.23 0.37 1 69 GLU 3.08 0.74 1 70 HIS -0.14 0.09 1 71 ASP 3.51 -0.38 1 72 VAL 1.78 -0.08 1 73 ARG -3.85 -0.04 1 76 THR 5.32 -0.22 1 77 VAL 1.28 -0.29 1 80 LEU 6.00 -0.08 1 81 ASN 5.44 -0.46 1 83 ALA -5.11 -0.41 1 92 ILE -3.90 1.41 1 94 ILE 2.11 0.48 1 95 GLU -0.51 1.13 1 96 VAL -5.09 0.92 1 97 ASN 1.00 0.17 1 100 GLU -6.75 0.71 1 101 ILE -1.02 0.62 1 103 ILE -5.00 0.41 1 104 MET 5.59 -0.26 1 105 ASP -0.77 0.46 1 107 SER -4.34 0.33 1 108 ALA -2.86 -0.51 1 109 ALA 8.31 -0.94 1 111 PHE 3.14 -0.22 1 113 TYR 5.44 -0.38 1 114 LEU 2.42 -0.18 1 117 ASP 3.07 -0.31 1 118 ALA 1.29 -0.47 1 120 ILE -0.18 0.43 1 122 GLU -2.84 0.65 1 123 LEU -3.84 0.36 1 124 ASN 2.20 -0.09 1 126 ALA 2.48 0.01 1 127 LYS -0.56 0.05 1 128 LYS -1.06 0.46 1 130 VAL -0.09 0.15 1 131 ARG -3.56 0.66 1 132 ILE 1.38 0.03 1 133 LYS -0.65 0.12 1 134 GLU -6.18 0.25 1 135 THR 2.74 0.69 1 136 VAL -3.03 0.14 1 137 ARG -4.90 1.09 1 138 VAL -4.64 0.62 1 139 GLU -5.73 0.43 1 140 ASP -1.79 -0.57 1 142 ASP 1.21 -0.07 1 143 LYS -1.92 0.26 1 144 TRP -3.26 0.64 1 145 ALA -2.83 0.52 1 146 GLU -7.74 1.32 1 147 PHE -5.91 1.02 1 148 LYS -2.55 0.42 1 150 TYR -2.58 -0.15 1 151 ASN 1.52 -0.11 1 154 SER -3.69 0.67 1 155 LEU -3.33 1.31 1 156 ASP -2.20 0.35 1 157 PHE -6.09 0.31 1 158 THR -1.25 0.94 1 160 ASP -0.75 -0.43 1 161 PHE -0.36 -0.04 1 162 ASN 0.21 -0.11 1 163 HIS 8.36 -0.55 1 165 ALA 0.81 0.03 1 166 ILE 0.23 -0.12 1 167 ASP -0.81 -0.06 1 168 SER 4.10 -0.24 1 169 SER 3.14 -0.09 1 170 ASN -0.12 0.38 1 171 GLN 1.53 0.01 1 172 ARG -4.06 1.36 1 173 TYR -3.80 0.01 1 174 ALA -3.99 0.90 1 175 MET -4.14 0.00 1 176 ASN 0.45 0.11 1 177 PHE 2.24 -0.82 1 179 ALA 5.10 0.13 1 180 ASP 3.45 -0.36 1 181 ALA 3.68 -0.42 1 182 PHE 5.00 -0.83 1 183 MET 4.94 -1.05 1 184 ARG 2.89 -0.25 1 185 GLN 1.17 -0.05 1 186 ILE -0.64 -0.08 1 187 SER 6.21 0.15 1 188 ARG 0.52 -0.02 1 189 ALA 0.78 0.11 1 190 ARG -2.81 -0.56 1 191 THR 1.48 -1.18 1 192 PHE -8.03 1.18 1 194 PHE -1.16 0.67 1 195 MET 3.44 0.83 1 196 ARG 4.86 -0.14 1 197 ASP 3.99 -0.01 1 198 ILE 6.05 0.03 1 199 GLU 3.54 -0.39 1 200 TYR 5.13 -0.53 1 202 GLN 6.89 0.26 1 204 ARG -0.02 0.04 1 206 LEU -4.18 0.21 1 208 LEU 3.77 -0.55 1 212 PHE 3.35 -0.16 1 213 ASP 2.00 -0.21 1 215 ALA -3.33 -0.25 1 217 VAL -1.07 0.71 1 218 VAL -5.59 1.22 1 219 ASP -0.29 0.75 1 220 ASP 4.07 -0.18 1 221 TYR -1.33 -0.14 1 222 ARG -3.12 0.53 1 223 VAL 0.99 -0.10 1 224 LEU 0.06 -0.05 1 225 ASN 4.11 -0.69 1 226 GLU 3.73 -0.49 1 227 ASP 0.97 -0.19 1 229 LEU -1.69 -0.35 1 230 ARG 1.93 -0.64 1 231 PHE -6.31 0.08 1 232 GLU 4.41 -0.32 1 233 ASP 1.16 0.33 1 234 GLU 5.32 -1.04 1 235 PHE 4.79 -0.61 1 236 VAL 4.92 -0.12 1 237 ARG 5.05 -0.94 1 238 HIS 6.30 -1.16 1 239 LYS 4.15 -0.60 1 240 MET 5.21 -0.84 1 241 LEU 5.67 0.26 1 242 ASP 4.31 -0.56 1 243 ALA 4.25 -0.28 1 246 ASP 3.24 -0.32 1 247 LEU 3.06 -0.28 1 248 PHE -0.58 -0.02 1 249 MET 2.68 -0.18 1 252 HIS -4.39 0.01 1 253 ASN 1.24 -0.38 1 254 ILE -3.80 0.58 1 255 ILE -1.91 0.58 1 257 ALA -1.88 1.02 1 258 PHE -2.79 0.67 1 259 THR -1.49 0.66 1 260 ALA -6.62 -0.24 1 261 TYR -1.24 -0.26 1 262 LYS 5.85 -0.99 1 263 SER -2.03 1.25 1 266 ALA 4.23 0.32 1 267 LEU 4.17 -0.23 1 268 ASN 4.99 -0.43 1 269 ASN 3.84 -0.38 1 270 LYS 5.31 -0.44 1 271 LEU 5.37 -0.23 1 272 LEU 3.12 -0.96 1 273 GLN 5.09 -0.59 1 274 ALA 3.77 -0.25 1 275 VAL 4.74 -0.06 1 276 LEU 3.22 -0.89 1 277 ALA 1.42 -0.10 1 278 LYS -0.36 -0.27 1 279 GLN 4.69 -0.63 1 280 GLU 2.50 -0.26 1 281 ALA 0.19 -0.12 1 282 TRP -3.60 0.85 1 283 GLU -4.64 -0.28 1 284 TYR -0.68 1.23 1 285 VAL -4.92 0.48 1 286 THR -4.56 0.35 1 287 PHE -1.35 0.15 1 288 GLN 2.52 -0.28 1 289 ASP -1.74 0.08 1 290 ASP 3.76 -0.62 1 291 ALA 2.49 -0.28 1 292 GLU -1.03 -0.31 1 298 LYS 1.15 -0.22 1 299 ALA 1.07 -0.23 1 301 SER 1.08 -0.01 1 302 ALA 0.28 -0.04 1 303 VAL 0.33 -0.07 1 304 LEU 0.00 0.01 1 305 ALA 0.11 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16475_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.03 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 8.36 _LACS_plot.Line_2_terminator_val_y_2 1.99 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 HIS 4.59 6.00 0 10 ILE -0.14 0.90 1 11 VAL -5.33 -0.10 1 12 GLN -6.07 -1.50 1 13 ALA -5.62 -2.50 1 14 THR -3.28 -0.60 1 16 VAL -2.27 0.30 1 18 LEU 2.36 0.20 1 20 THR 0.27 2.30 1 22 LYS -2.11 -0.90 1 23 LYS 1.94 -0.20 1 24 VAL -3.29 -1.70 1 25 THR 0.50 -2.00 1 26 LEU -6.23 -2.70 1 28 LEU -1.28 -1.70 1 33 ALA 0.81 -0.40 1 34 ASN 4.35 -0.90 1 35 THR 3.81 1.30 1 37 VAL 0.61 -1.10 1 38 ILE -2.92 -1.80 1 39 TYR -1.48 -1.00 1 40 ARG -4.15 -0.20 1 41 ARG -1.64 1.60 1 42 THR 1.54 0.60 1 43 ASP 3.85 -0.90 1 44 LEU -2.96 -3.70 1 45 ASN -3.84 -0.50 1 48 VAL -2.70 -3.20 1 49 ASP -1.32 -0.50 1 50 PHE -1.85 -1.50 1 52 ALA 3.61 -1.90 1 53 ASP -2.87 0.30 1 54 ALA 2.70 0.80 1 55 LYS 2.98 1.40 1 56 SER 0.25 -2.70 1 57 VAL -1.24 0.90 1 58 ARG -3.60 -2.20 1 59 ASP -1.99 -1.00 1 60 THR -3.04 -0.80 1 64 THR -0.75 -0.70 1 66 LEU -2.29 -1.70 1 67 VAL -5.55 0.00 1 68 ASN -3.23 2.20 1 69 GLU 3.08 -0.30 1 70 HIS -0.14 -0.20 1 71 ASP 3.51 -1.20 1 72 VAL 1.78 -1.10 1 73 ARG -3.85 0.70 1 76 THR 5.32 -1.00 1 77 VAL 1.28 1.60 1 78 GLU 3.28 1.60 1 79 HIS -0.68 2.80 1 80 LEU 6.00 1.00 1 81 ASN 5.44 2.20 1 85 ALA 0.76 3.80 1 87 LEU 0.12 -1.30 1 91 ASN 6.28 -0.50 1 92 ILE -3.90 1.30 1 93 VAL -2.07 -1.00 1 95 GLU -0.51 -0.40 1 96 VAL -5.09 -1.40 1 97 ASN 1.00 -0.40 1 100 GLU -6.75 -5.00 1 101 ILE -1.02 -0.80 1 103 ILE -5.00 0.40 1 104 MET 5.59 -2.10 1 105 ASP -0.77 -0.60 1 107 SER -4.34 0.40 1 108 ALA -2.86 -0.20 1 109 ALA 8.31 -1.00 1 111 PHE 3.14 1.30 1 112 VAL 6.77 0.80 1 113 TYR 5.44 2.50 1 114 LEU 2.42 0.70 1 116 LEU 3.32 2.60 1 117 ASP 3.07 2.20 1 118 ALA 1.29 1.20 1 120 ILE -0.18 -1.20 1 122 GLU -2.84 -0.50 1 123 LEU -3.84 -0.70 1 124 ASN 2.20 -0.20 1 126 ALA 2.48 0.50 1 127 LYS -0.56 -1.70 1 128 LYS -1.06 -0.20 1 129 PHE -2.70 -0.40 1 130 VAL -0.09 -2.70 1 131 ARG -3.56 -0.90 1 132 ILE 1.38 0.70 1 133 LYS -0.65 -1.00 1 134 GLU -6.18 -3.40 1 135 THR 2.74 0.60 1 136 VAL -3.03 -3.80 1 137 ARG -4.90 -0.90 1 139 GLU -5.73 -0.90 1 140 ASP -1.79 0.00 1 142 ASP 1.21 -1.40 1 143 LYS -1.92 0.30 1 144 TRP -3.26 2.40 1 145 ALA -2.83 -3.30 1 146 GLU -7.74 -2.30 1 147 PHE -5.91 -0.50 1 148 LYS -2.55 -1.30 1 150 TYR -2.58 -2.60 1 151 ASN 1.52 -2.10 1 153 PHE -2.26 -3.00 1 154 SER -3.69 -2.40 1 155 LEU -3.33 -2.20 1 156 ASP -2.20 -2.30 1 157 PHE -6.09 -2.10 1 158 THR -1.25 -1.60 1 159 ILE -1.78 -4.30 1 160 ASP -0.75 1.50 1 161 PHE -0.36 -1.80 1 162 ASN 0.21 -2.20 1 163 HIS 8.36 1.60 1 165 ALA 0.81 -0.80 1 166 ILE 0.23 -1.30 1 167 ASP -0.81 1.70 1 168 SER 4.10 -0.70 1 169 SER 3.14 0.30 1 170 ASN -0.12 -1.40 1 171 GLN 1.53 -2.00 1 172 ARG -4.06 -1.90 1 173 TYR -3.80 -4.60 1 174 ALA -3.99 -2.80 1 175 MET -4.14 -2.50 1 176 ASN 0.45 -0.60 1 177 PHE 2.24 -1.50 1 178 SER -2.42 -1.10 1 179 ALA 5.10 2.00 1 180 ASP 3.45 1.60 1 181 ALA 3.68 2.70 1 182 PHE 5.00 1.80 1 183 MET 4.94 2.10 1 184 ARG 2.89 2.20 1 185 GLN 1.17 0.90 1 186 ILE -0.64 0.70 1 187 SER 6.21 -0.70 1 188 ARG 0.52 -0.70 1 189 ALA 0.78 -0.20 1 190 ARG -2.81 -1.80 1 191 THR 1.48 -4.30 1 192 PHE -8.03 -3.70 1 194 PHE -1.16 2.70 1 195 MET 3.44 1.40 1 196 ARG 4.86 2.80 1 197 ASP 3.99 1.60 1 199 GLU 3.54 2.30 1 200 TYR 5.13 3.00 1 201 LEU 3.98 2.50 1 202 GLN 6.89 5.20 1 203 SER 4.55 0.30 1 204 ARG -0.02 -0.20 1 206 LEU -4.18 -3.10 1 208 LEU 3.77 1.00 1 211 SER -1.85 -1.30 1 212 PHE 3.35 0.00 1 213 ASP 2.00 0.90 1 215 ALA -3.33 -1.80 1 216 ILE 1.41 -1.70 1 217 VAL -1.07 -0.90 1 218 VAL -5.59 0.60 1 219 ASP -0.29 0.30 1 220 ASP 4.07 -1.00 1 221 TYR -1.33 0.00 1 222 ARG -3.12 -2.10 1 223 VAL 0.99 0.80 1 224 LEU 0.06 0.20 1 225 ASN 4.11 2.30 1 226 GLU 3.73 0.40 1 227 ASP 0.97 0.70 1 229 LEU -1.69 0.80 1 230 ARG 1.93 -0.60 1 231 PHE -6.31 0.10 1 232 GLU 4.41 -0.80 1 233 ASP 1.16 0.70 1 234 GLU 5.32 -0.30 1 235 PHE 4.79 2.80 1 236 VAL 4.92 0.50 1 237 ARG 5.05 2.10 1 238 HIS 6.30 2.10 1 239 LYS 4.15 2.80 1 240 MET 5.21 0.00 1 241 LEU 5.67 0.40 1 242 ASP 4.31 1.70 1 243 ALA 4.25 1.20 1 244 ILE 6.47 2.60 1 246 ASP 3.24 3.70 1 247 LEU 3.06 -0.40 1 248 PHE -0.58 1.80 1 249 MET 2.68 -2.40 1 252 HIS -4.39 -0.60 1 253 ASN 1.24 -2.50 1 254 ILE -3.80 -3.60 1 255 ILE -1.91 0.90 1 257 ALA -1.88 -1.90 1 258 PHE -2.79 -0.80 1 259 THR -1.49 -3.70 1 260 ALA -6.62 -3.00 1 261 TYR -1.24 -3.20 1 262 LYS 5.85 -2.40 1 263 SER -2.03 -1.10 1 266 ALA 4.23 2.70 1 267 LEU 4.17 0.90 1 268 ASN 4.99 3.10 1 269 ASN 3.84 1.70 1 270 LYS 5.31 3.20 1 272 LEU 3.12 0.70 1 273 GLN 5.09 2.60 1 276 LEU 3.22 2.30 1 277 ALA 1.42 -0.40 1 278 LYS -0.36 -1.10 1 279 GLN 4.69 1.10 1 280 GLU 2.50 0.00 1 281 ALA 0.19 -1.40 1 282 TRP -3.60 -4.00 1 283 GLU -4.64 -1.10 1 284 TYR -0.68 1.20 1 285 VAL -4.92 -2.30 1 286 THR -4.56 -2.00 1 287 PHE -1.35 -0.40 1 288 GLN 2.52 -0.40 1 289 ASP -1.74 0.00 1 290 ASP 3.76 1.40 1 291 ALA 2.49 1.00 1 292 GLU -1.03 -0.50 1 293 LEU -2.37 -2.40 1 298 LYS 1.15 0.00 1 299 ALA 1.07 -0.70 1 301 SER 1.08 -0.20 1 302 ALA 0.28 -0.40 1 303 VAL 0.33 -0.60 1 304 LEU 0.00 -1.90 1 stop_ save_