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 bmr19076_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.47 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.38 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 5.45 _LACS_plot.Y_axis_chem_shift_offset 0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 PHE -1.54 -4.09 0 247 ASP -4.79 -1.79 0 235 TYR -5.47 -5.95 0 257 TYR 1.15 -2.79 0 45 TYR 7.83 2.18 0 10 LEU 0.42 -0.58 1 11 VAL -1.54 -1.46 1 12 HIS -1.23 -3.32 1 13 VAL 0.89 -0.80 1 14 ALA -0.70 -0.23 1 15 SER -1.83 -2.19 1 18 LYS 3.59 1.94 1 20 ARG -1.50 -3.33 1 21 SER -3.88 -1.80 1 22 TYR 4.52 3.52 1 23 GLU 4.60 2.90 1 24 ASP 2.91 3.21 1 25 PHE 5.44 4.57 1 26 GLN 3.98 1.68 1 27 LYS 5.45 3.57 1 30 ASN 4.38 1.79 1 31 ALA 3.16 2.43 1 33 ALA 2.94 2.37 1 34 LEU 3.96 2.25 1 35 LYS 5.38 3.19 1 36 LEU 2.68 1.83 1 37 ARG 2.34 2.22 1 42 TYR -0.72 0.73 1 43 ASP 1.49 -0.92 1 44 ASN 3.61 1.45 1 48 TYR 2.18 2.31 1 63 TRP 3.23 1.17 1 64 ASP -3.14 -2.13 1 65 LYS 2.03 0.33 1 66 HIS 5.31 3.50 1 69 THR -3.11 -1.37 1 73 TYR 6.11 4.57 1 76 THR 5.06 2.14 1 78 ARG 2.02 -0.52 1 79 PHE 1.30 -0.62 1 80 LYS 4.04 2.42 1 81 LYS 4.78 3.16 1 82 GLU 0.96 0.48 1 84 ASN 0.31 -1.08 1 85 ASP -2.10 -2.20 1 95 PHE 4.56 3.95 1 96 LYS 4.14 2.11 1 97 PHE 4.56 2.81 1 98 LEU 0.50 -0.02 1 99 GLU 8.05 4.69 1 101 ILE 5.33 1.86 1 103 LYS 3.77 1.74 1 104 GLU 1.93 0.60 1 110 SER 7.25 4.94 1 112 ASP 6.56 3.58 1 113 LEU 5.22 2.78 1 114 PHE 2.12 -0.72 1 115 SER 3.71 2.87 1 119 VAL 6.37 5.39 1 123 GLN 5.51 3.80 1 124 GLU 2.81 1.39 1 125 MET 2.85 1.05 1 126 GLN 6.61 1.55 1 132 TRP -3.02 -0.82 1 133 ARG -5.41 -3.16 1 138 ASP 3.34 0.30 1 139 THR -0.51 -2.66 1 141 GLU 4.76 3.01 1 142 ASP 3.48 0.84 1 144 THR 1.10 -0.19 1 146 ASP 1.07 -0.27 1 147 ASN 0.39 -0.13 1 156 ASP -3.95 -2.43 1 157 ALA 3.06 2.98 1 158 ASP 3.77 2.99 1 159 TYR 4.60 3.94 1 161 ARG 6.03 4.41 1 162 THR 5.82 4.77 1 163 PHE 5.35 4.39 1 165 GLN 5.95 3.60 1 166 ARG 3.14 2.08 1 167 LEU -2.17 -1.39 1 168 ASN 1.88 0.52 1 169 MET -2.99 -2.38 1 170 ASN -2.09 -2.36 1 171 ASP 4.36 3.54 1 172 ARG 5.72 4.20 1 173 GLU 2.64 2.86 1 188 LEU 4.97 4.87 1 189 LYS 3.43 1.58 1 199 ALA -0.48 0.01 1 200 ALA 0.89 -1.41 1 203 VAL -2.51 -1.39 1 204 PHE 2.16 1.39 1 205 THR -4.74 -1.95 1 206 ASN 1.70 -0.85 1 210 LEU 3.93 1.78 1 211 ASN 6.01 1.13 1 212 LEU 5.04 2.38 1 213 LEU 1.31 0.68 1 214 ASN 0.44 0.84 1 215 GLU -0.88 -2.04 1 216 ASP -1.07 -2.03 1 217 TRP -4.26 -1.74 1 218 LYS -3.41 -1.58 1 219 LEU 2.53 -0.65 1 220 GLU -4.35 -2.54 1 221 LYS -0.55 -0.93 1 222 ASN -2.40 -2.39 1 223 ASP 3.33 2.41 1 224 ALA 0.16 -1.17 1 225 ASN 3.30 1.41 1 226 ASN -2.66 -1.51 1 227 GLU -0.49 -0.99 1 228 GLN -4.40 -1.98 1 229 TRP -0.83 -2.04 1 230 ASP -3.64 -2.44 1 231 SER -4.80 -3.79 1 232 LYS 4.12 1.49 1 233 SER 1.50 -1.00 1 245 ILE 0.36 -1.88 1 246 GLN 0.28 0.02 1 249 LYS 4.21 2.00 1 250 TYR 1.40 -0.75 1 251 LEU 4.79 2.72 1 252 SER 4.02 2.64 1 253 ILE 4.41 2.76 1 254 VAL 6.44 3.79 1 255 LYS 4.58 3.15 1 256 GLU 3.17 2.22 1 258 ALA 3.05 1.46 1 259 ASN -0.24 0.39 1 260 ASP -1.50 -1.59 1 261 GLN 3.41 3.44 1 262 ASP 4.07 3.22 1 263 LYS 3.79 1.99 1 264 PHE 3.41 0.60 1 265 PHE 5.01 2.08 1 266 LYS 4.45 3.07 1 267 ASP 5.34 2.69 1 268 PHE 6.49 5.34 1 269 SER 4.52 3.23 1 270 LYS 3.38 2.53 1 271 ALA 4.02 2.69 1 273 GLU 7.34 3.30 1 274 LYS 3.93 3.18 1 275 LEU 2.60 2.58 1 277 GLU -0.88 -1.32 1 278 ASN 2.04 0.00 1 280 ILE 1.06 -0.09 1 281 THR 0.16 -0.31 1 282 PHE 0.89 -0.18 1 284 LYS 4.25 2.31 1 285 ASP 0.50 -1.62 1 286 ALA 1.20 -0.02 1 288 SER 3.79 1.39 1 290 PHE -3.66 -3.84 1 291 ILE -0.19 -2.28 1 292 PHE 1.87 1.26 1 293 LYS -1.66 -1.30 1 294 THR -2.55 -1.91 1 295 LEU 7.42 4.08 1 296 GLU 3.68 2.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19076_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.47 _LACS_plot.Line_1_terminator_val_y_1 2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.38 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 -2.60 _LACS_plot.Y_axis_chem_shift_offset 0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 PHE -1.54 -2.55 0 247 ASP -4.79 3.00 0 235 TYR -5.47 -0.48 0 257 TYR 1.15 -3.94 0 45 TYR 7.83 -5.65 0 10 LEU 0.42 -1.00 1 11 VAL -1.54 0.08 1 12 HIS -1.23 -2.09 1 13 VAL 0.89 -1.69 1 14 ALA -0.70 0.47 1 15 SER -1.83 -0.36 1 18 LYS 3.59 -1.65 1 20 ARG -1.50 -1.83 1 21 SER -3.88 2.08 1 22 TYR 4.52 -1.00 1 23 GLU 4.60 -1.70 1 24 ASP 2.91 0.30 1 25 PHE 5.44 -0.87 1 26 GLN 3.98 -2.30 1 27 LYS 5.45 -1.88 1 30 ASN 4.38 -2.59 1 31 ALA 3.16 -0.73 1 33 ALA 2.94 -0.57 1 34 LEU 3.96 -1.71 1 35 LYS 5.38 -2.19 1 36 LEU 2.68 -0.85 1 37 ARG 2.34 -0.12 1 42 TYR -0.72 1.45 1 43 ASP 1.49 -2.41 1 44 ASN 3.61 -2.16 1 48 TYR 2.18 0.13 1 63 TRP 3.23 -2.06 1 64 ASP -3.14 1.01 1 65 LYS 2.03 -1.70 1 66 HIS 5.31 -1.81 1 69 THR -3.11 1.74 1 73 TYR 6.11 -1.54 1 76 THR 5.06 -2.92 1 78 ARG 2.02 -2.54 1 79 PHE 1.30 -1.92 1 80 LYS 4.04 -1.62 1 81 LYS 4.78 -1.62 1 82 GLU 0.96 -0.48 1 84 ASN 0.31 -1.39 1 85 ASP -2.10 -0.10 1 95 PHE 4.56 -0.61 1 96 LYS 4.14 -2.03 1 97 PHE 4.56 -1.75 1 98 LEU 0.50 -0.52 1 99 GLU 8.05 -3.36 1 101 ILE 5.33 -3.47 1 103 LYS 3.77 -2.03 1 104 GLU 1.93 -1.33 1 110 SER 7.25 -2.31 1 112 ASP 6.56 -2.98 1 113 LEU 5.22 -2.44 1 114 PHE 2.12 -2.84 1 115 SER 3.71 -0.84 1 119 VAL 6.37 -0.98 1 123 GLN 5.51 -1.71 1 124 GLU 2.81 -1.42 1 125 MET 2.85 -1.80 1 126 GLN 6.61 -5.06 1 132 TRP -3.02 2.20 1 133 ARG -5.41 2.25 1 138 ASP 3.34 -3.04 1 139 THR -0.51 -2.15 1 141 GLU 4.76 -1.75 1 142 ASP 3.48 -2.64 1 144 THR 1.10 -1.29 1 146 ASP 1.07 -1.34 1 147 ASN 0.39 -0.52 1 156 ASP -3.95 1.52 1 157 ALA 3.06 -0.08 1 158 ASP 3.77 -0.78 1 159 TYR 4.60 -0.66 1 161 ARG 6.03 -1.62 1 162 THR 5.82 -1.05 1 163 PHE 5.35 -0.96 1 165 GLN 5.95 -2.35 1 166 ARG 3.14 -1.06 1 167 LEU -2.17 0.78 1 168 ASN 1.88 -1.36 1 169 MET -2.99 0.61 1 170 ASN -2.09 -0.27 1 171 ASP 4.36 -0.82 1 172 ARG 5.72 -1.52 1 173 GLU 2.64 0.22 1 188 LEU 4.97 -0.10 1 189 LYS 3.43 -1.85 1 199 ALA -0.48 0.49 1 200 ALA 0.89 -2.30 1 203 VAL -2.51 1.12 1 204 PHE 2.16 -0.77 1 205 THR -4.74 2.79 1 206 ASN 1.70 -2.55 1 210 LEU 3.93 -2.15 1 211 ASN 6.01 -4.88 1 212 LEU 5.04 -2.66 1 213 LEU 1.31 -0.63 1 214 ASN 0.44 0.40 1 215 GLU -0.88 -1.16 1 216 ASP -1.07 -0.96 1 217 TRP -4.26 2.52 1 218 LYS -3.41 1.83 1 219 LEU 2.53 -3.18 1 220 GLU -4.35 1.81 1 221 LYS -0.55 -0.38 1 222 ASN -2.40 0.01 1 223 ASP 3.33 -0.92 1 224 ALA 0.16 -1.33 1 225 ASN 3.30 -1.89 1 226 ASN -2.66 1.15 1 227 GLU -0.49 -0.50 1 228 GLN -4.40 2.42 1 229 TRP -0.83 -1.21 1 230 ASP -3.64 1.20 1 231 SER -4.80 1.01 1 232 LYS 4.12 -2.63 1 233 SER 1.50 -2.50 1 245 ILE 0.36 -2.24 1 246 GLN 0.28 -0.26 1 249 LYS 4.21 -2.21 1 250 TYR 1.40 -2.15 1 251 LEU 4.79 -2.07 1 252 SER 4.02 -1.38 1 253 ILE 4.41 -1.65 1 254 VAL 6.44 -2.65 1 255 LYS 4.58 -1.43 1 256 GLU 3.17 -0.95 1 258 ALA 3.05 -1.59 1 259 ASN -0.24 0.63 1 260 ASP -1.50 -0.09 1 261 GLN 3.41 0.03 1 262 ASP 4.07 -0.85 1 263 LYS 3.79 -1.80 1 264 PHE 3.41 -2.81 1 265 PHE 5.01 -2.93 1 266 LYS 4.45 -1.38 1 267 ASP 5.34 -2.65 1 268 PHE 6.49 -1.15 1 269 SER 4.52 -1.29 1 270 LYS 3.38 -0.85 1 271 ALA 4.02 -1.33 1 273 GLU 7.34 -4.04 1 274 LYS 3.93 -0.75 1 275 LEU 2.60 -0.02 1 277 GLU -0.88 -0.44 1 278 ASN 2.04 -2.04 1 280 ILE 1.06 -1.15 1 281 THR 0.16 -0.47 1 282 PHE 0.89 -1.07 1 284 LYS 4.25 -1.94 1 285 ASP 0.50 -2.12 1 286 ALA 1.20 -1.22 1 288 SER 3.79 -2.40 1 290 PHE -3.66 -0.18 1 291 ILE -0.19 -2.09 1 292 PHE 1.87 -0.61 1 293 LYS -1.66 0.36 1 294 THR -2.55 0.64 1 295 LEU 7.42 -3.34 1 296 GLU 3.68 -1.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19076_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.47 _LACS_plot.Line_1_terminator_val_y_1 -2.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 2.25 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 294 THR -2.55 4.62 0 10 LEU 0.42 -1.65 1 11 VAL -1.54 -1.77 1 12 HIS -1.23 -1.84 1 13 VAL 0.89 1.64 1 14 ALA -0.70 -0.74 1 15 SER -1.83 -1.82 1 18 LYS 3.59 2.28 1 20 ARG -1.50 -0.75 1 21 SER -3.88 -0.31 1 22 TYR 4.52 0.29 1 23 GLU 4.60 2.57 1 24 ASP 2.91 1.71 1 26 GLN 3.98 1.80 1 27 LYS 5.45 2.52 1 30 ASN 4.38 1.66 1 37 ARG 2.34 1.42 1 42 TYR -0.72 -1.70 1 43 ASP 1.49 -0.64 1 44 ASN 3.61 -0.17 1 48 TYR 2.18 -0.33 1 63 TRP 3.23 -2.61 1 64 ASP -3.14 -1.34 1 65 LYS 2.03 0.73 1 66 HIS 5.31 1.55 1 69 THR -3.11 0.94 1 76 THR 5.06 -0.73 1 78 ARG 2.02 -0.30 1 79 PHE 1.30 0.50 1 80 LYS 4.04 0.27 1 81 LYS 4.78 0.65 1 82 GLU 0.96 2.21 1 84 ASN 0.31 -1.23 1 85 ASP -2.10 1.11 1 95 PHE 4.56 1.71 1 96 LYS 4.14 2.40 1 97 PHE 4.56 0.03 1 98 LEU 0.50 0.89 1 99 GLU 8.05 -0.74 1 103 LYS 3.77 1.26 1 104 GLU 1.93 -0.84 1 105 PHE -1.54 -3.42 1 112 ASP 6.56 -0.19 1 113 LEU 5.22 0.68 1 114 PHE 2.12 3.53 1 115 SER 3.71 1.36 1 119 VAL 6.37 0.83 1 126 GLN 6.61 0.23 1 132 TRP -3.02 -2.68 1 133 ARG -5.41 -3.94 1 138 ASP 3.34 1.35 1 139 THR -0.51 -0.77 1 141 GLU 4.76 2.20 1 142 ASP 3.48 0.14 1 146 ASP 1.07 -0.62 1 147 ASN 0.39 -0.65 1 156 ASP -3.95 0.69 1 157 ALA 3.06 1.92 1 159 TYR 4.60 2.24 1 162 THR 5.82 2.98 1 166 ARG 3.14 -1.25 1 167 LEU -2.17 -1.60 1 168 ASN 1.88 -0.87 1 169 MET -2.99 0.52 1 170 ASN -2.09 -0.44 1 171 ASP 4.36 0.86 1 172 ARG 5.72 1.26 1 189 LYS 3.43 0.84 1 203 VAL -2.51 -2.56 1 204 PHE 2.16 -2.49 1 205 THR -4.74 -1.73 1 206 ASN 1.70 0.04 1 210 LEU 3.93 0.81 1 212 LEU 5.04 -0.07 1 213 LEU 1.31 1.46 1 214 ASN 0.44 1.47 1 215 GLU -0.88 -3.19 1 216 ASP -1.07 -1.28 1 217 TRP -4.26 0.36 1 218 LYS -3.41 -2.63 1 219 LEU 2.53 -1.30 1 220 GLU -4.35 -2.28 1 221 LYS -0.55 0.53 1 222 ASN -2.40 3.13 1 223 ASP 3.33 0.67 1 226 ASN -2.66 -0.57 1 227 GLU -0.49 -1.15 1 228 GLN -4.40 -4.22 1 229 TRP -0.83 -1.68 1 230 ASP -3.64 0.03 1 231 SER -4.80 2.24 1 232 LYS 4.12 0.87 1 233 SER 1.50 -1.70 1 235 TYR -5.47 -1.70 1 245 ILE 0.36 0.48 1 246 GLN 0.28 -0.17 1 247 ASP -4.79 -1.22 1 249 LYS 4.21 3.77 1 250 TYR 1.40 2.99 1 251 LEU 4.79 0.43 1 252 SER 4.02 1.81 1 255 LYS 4.58 2.22 1 256 GLU 3.17 3.34 1 257 TYR 1.15 2.57 1 258 ALA 3.05 -0.47 1 259 ASN -0.24 -0.38 1 260 ASP -1.50 -2.26 1 261 GLN 3.41 0.72 1 262 ASP 4.07 2.16 1 263 LYS 3.79 1.46 1 264 PHE 3.41 0.21 1 265 PHE 5.01 2.58 1 266 LYS 4.45 3.37 1 267 ASP 5.34 3.84 1 268 PHE 6.49 0.97 1 269 SER 4.52 2.12 1 270 LYS 3.38 3.31 1 273 GLU 7.34 0.90 1 274 LYS 3.93 2.62 1 275 LEU 2.60 2.28 1 277 GLU -0.88 -0.37 1 278 ASN 2.04 1.31 1 280 ILE 1.06 -1.12 1 281 THR 0.16 -2.12 1 282 PHE 0.89 -0.64 1 284 LYS 4.25 0.30 1 285 ASP 0.50 -0.47 1 288 SER 3.79 -2.24 1 290 PHE -3.66 -0.85 1 291 ILE -0.19 0.42 1 292 PHE 1.87 1.53 1 293 LYS -1.66 0.09 1 295 LEU 7.42 3.06 1 296 GLU 3.68 4.59 1 stop_ save_