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 bmr26589_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.30 _LACS_plot.Line_1_terminator_val_y_1 -1.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.00 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 5.67 _LACS_plot.Y_axis_chem_shift_offset 0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 293 MET 7.05 2.50 0 10 THR 1.62 0.57 1 11 ASN 1.09 0.53 1 12 PHE 3.20 1.83 1 13 ALA 2.93 1.60 1 15 ASN 3.76 2.57 1 16 PHE 3.53 2.25 1 21 VAL 5.04 2.86 1 22 SER 4.06 2.57 1 23 ALA 3.03 1.40 1 24 ALA 2.85 1.48 1 25 ILE 3.60 1.83 1 27 LYS 2.17 0.68 1 28 THR 1.90 1.03 1 33 ILE 5.03 2.53 1 34 GLU 8.64 7.00 1 35 ARG 3.91 2.13 1 36 VAL 5.90 3.39 1 38 ILE 4.33 2.37 1 39 LEU 3.56 2.25 1 51 THR 1.43 0.51 1 55 LYS 3.39 1.35 1 56 TYR 2.06 0.51 1 57 SER 4.04 2.66 1 59 ILE 4.75 2.88 1 60 VAL 7.09 4.56 1 61 ASP 3.66 2.98 1 62 ALA 3.88 2.10 1 63 PHE 4.50 3.08 1 69 GLN 2.17 0.97 1 70 GLU 1.76 0.48 1 73 ILE 4.47 2.05 1 74 SER 3.48 2.06 1 75 PHE 3.46 2.20 1 77 ARG 2.76 1.18 1 79 ASN 0.35 0.37 1 80 THR 4.30 2.44 1 81 ALA 2.93 1.38 1 82 ASN 2.17 1.11 1 83 VAL 4.03 2.22 1 84 ILE 3.84 1.74 1 85 ARG 3.24 1.28 1 86 TYR 0.89 0.14 1 87 PHE 1.38 0.63 1 89 THR 4.02 2.32 1 91 ALA 1.24 0.40 1 92 LEU 1.56 -0.18 1 93 ASN 0.49 -0.10 1 94 PHE 1.36 0.30 1 95 ALA 2.04 0.09 1 98 ASP 3.89 2.57 1 100 ILE 5.06 2.48 1 102 LEU 3.21 1.66 1 112 TYR 2.73 1.61 1 114 LYS 3.14 1.31 1 115 TRP 2.76 1.52 1 116 PHE 1.98 1.10 1 117 ALA 1.64 0.66 1 119 ASN 1.35 0.91 1 120 LEU 2.13 0.82 1 122 SER 1.05 0.32 1 125 ALA 2.82 1.60 1 126 ALA 3.50 1.94 1 132 LEU 0.93 0.03 1 139 PHE 4.92 2.83 1 140 ALA 3.59 2.19 1 141 ARG 4.84 3.28 1 142 THR 3.87 2.78 1 144 LEU 1.79 0.32 1 145 ALA 0.65 -0.23 1 146 ALA 0.95 0.07 1 147 ASP 0.22 -0.17 1 148 ALA 1.28 0.33 1 149 LYS 1.92 0.29 1 150 SER 0.55 -0.17 1 151 SER -0.21 -0.90 1 152 LYS 1.16 -0.26 1 153 LYS 0.99 -0.31 1 156 ALA 0.18 -0.45 1 157 ARG 1.23 -0.14 1 158 GLN 0.35 -0.19 1 159 PHE 0.59 -0.44 1 160 ASN 1.03 0.56 1 162 LEU 2.81 1.57 1 163 THR 5.09 3.12 1 164 ASP 3.06 2.39 1 165 VAL 4.83 2.81 1 166 TYR 3.39 2.20 1 168 LYS 3.21 1.60 1 170 LEU 2.21 0.71 1 171 LYS 1.55 0.03 1 172 SER 1.21 0.53 1 173 ASP 0.99 0.65 1 175 ILE 3.60 1.56 1 176 ALA 3.45 1.81 1 178 LEU 2.51 1.39 1 179 TYR 2.28 1.33 1 196 TYR 3.63 2.81 1 209 THR 0.64 0.17 1 211 SER 0.88 0.33 1 212 LEU -0.19 -0.90 1 213 ASP -1.30 -0.81 1 215 SER 3.91 2.30 1 218 ALA 4.28 2.56 1 219 SER 4.48 2.95 1 220 PHE 3.66 2.70 1 230 ALA 1.67 0.48 1 237 LEU 2.77 1.59 1 238 ASP 3.29 2.58 1 239 THR 5.42 3.65 1 240 VAL 5.93 3.57 1 241 ARG 4.22 3.33 1 242 ARG 4.34 2.50 1 243 ARG 2.95 1.14 1 244 MET 2.48 1.12 1 245 MET 2.10 0.52 1 246 MET 1.04 0.41 1 247 THR 0.56 -0.05 1 248 SER 1.52 0.72 1 253 LYS 1.81 0.30 1 254 TYR 1.80 0.42 1 258 ILE 6.04 2.88 1 259 ASP 3.73 3.07 1 260 ALA 3.74 2.12 1 261 LEU 3.82 2.31 1 262 LYS 5.62 3.78 1 263 LYS 4.23 2.52 1 264 ILE 4.66 3.15 1 265 VAL 5.53 2.71 1 266 ALA 1.09 0.25 1 267 SER 1.16 0.74 1 270 VAL 4.48 2.35 1 272 SER 3.32 1.99 1 273 LEU 3.07 1.56 1 274 PHE 1.87 0.72 1 275 LYS 2.54 1.17 1 277 ALA 2.04 1.14 1 279 ALA 3.50 1.88 1 280 ASN 3.47 2.17 1 281 ILE 4.74 2.89 1 282 LEU 4.28 2.19 1 283 ARG 4.30 2.50 1 284 SER 3.36 2.44 1 285 VAL 3.12 1.29 1 286 ALA 1.30 0.45 1 288 ALA 1.68 0.76 1 290 VAL 4.53 2.55 1 294 TYR 4.20 2.97 1 297 LEU 4.38 2.31 1 298 GLN 5.20 3.75 1 300 ILE 3.85 2.60 1 301 LEU 2.56 1.43 1 302 PHE -0.77 -1.00 1 304 LYS -0.12 -0.86 1 305 LYS -0.04 -0.86 1 306 PHE 0.54 -0.24 1 307 LYS 1.24 1.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26589_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.30 _LACS_plot.Line_1_terminator_val_y_1 -0.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.00 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -2.97 _LACS_plot.Y_axis_chem_shift_offset 0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 293 MET 7.05 -4.55 0 10 THR 1.62 -1.05 1 11 ASN 1.09 -0.56 1 12 PHE 3.20 -1.37 1 13 ALA 2.93 -1.33 1 15 ASN 3.76 -1.19 1 16 PHE 3.53 -1.28 1 21 VAL 5.04 -2.18 1 22 SER 4.06 -1.49 1 23 ALA 3.03 -1.63 1 24 ALA 2.85 -1.37 1 25 ILE 3.60 -1.77 1 27 LYS 2.17 -1.49 1 28 THR 1.90 -0.87 1 33 ILE 5.03 -2.50 1 34 GLU 8.64 -1.64 1 35 ARG 3.91 -1.78 1 36 VAL 5.90 -2.51 1 38 ILE 4.33 -1.96 1 39 LEU 3.56 -1.31 1 51 THR 1.43 -0.92 1 55 LYS 3.39 -2.04 1 56 TYR 2.06 -1.55 1 57 SER 4.04 -1.38 1 59 ILE 4.75 -1.87 1 60 VAL 7.09 -2.53 1 61 ASP 3.66 -0.68 1 62 ALA 3.88 -1.78 1 63 PHE 4.50 -1.42 1 69 GLN 2.17 -1.20 1 70 GLU 1.76 -1.28 1 73 ILE 4.47 -2.42 1 74 SER 3.48 -1.42 1 75 PHE 3.46 -1.26 1 77 ARG 2.76 -1.58 1 79 ASN 0.35 0.02 1 80 THR 4.30 -1.86 1 81 ALA 2.93 -1.55 1 82 ASN 2.17 -1.06 1 83 VAL 4.03 -1.81 1 84 ILE 3.84 -2.10 1 85 ARG 3.24 -1.96 1 86 TYR 0.89 -0.75 1 87 PHE 1.38 -0.75 1 89 THR 4.02 -1.70 1 91 ALA 1.24 -0.84 1 92 LEU 1.56 -1.74 1 93 ASN 0.49 -0.59 1 94 PHE 1.36 -1.06 1 95 ALA 2.04 -1.95 1 98 ASP 3.89 -1.32 1 100 ILE 5.06 -2.58 1 102 LEU 3.21 -1.55 1 112 TYR 2.73 -1.12 1 114 LYS 3.14 -1.83 1 115 TRP 2.76 -1.24 1 116 PHE 1.98 -0.88 1 117 ALA 1.64 -0.98 1 119 ASN 1.35 -0.44 1 120 LEU 2.13 -1.31 1 122 SER 1.05 -0.73 1 125 ALA 2.82 -1.22 1 126 ALA 3.50 -1.56 1 132 LEU 0.93 -0.90 1 139 PHE 4.92 -2.09 1 140 ALA 3.59 -1.40 1 141 ARG 4.84 -1.56 1 142 THR 3.87 -1.09 1 144 LEU 1.79 -1.47 1 145 ALA 0.65 -0.88 1 146 ALA 0.95 -0.88 1 147 ASP 0.22 -0.39 1 148 ALA 1.28 -0.95 1 149 LYS 1.92 -1.63 1 150 SER 0.55 -0.72 1 151 SER -0.21 -0.69 1 152 LYS 1.16 -1.42 1 153 LYS 0.99 -1.30 1 156 ALA 0.18 -0.63 1 157 ARG 1.23 -1.37 1 158 GLN 0.35 -0.54 1 159 PHE 0.59 -1.03 1 160 ASN 1.03 -0.47 1 162 LEU 2.81 -1.24 1 163 THR 5.09 -1.97 1 164 ASP 3.06 -0.67 1 165 VAL 4.83 -2.02 1 166 TYR 3.39 -1.19 1 168 LYS 3.21 -1.61 1 170 LEU 2.21 -1.50 1 171 LYS 1.55 -1.52 1 172 SER 1.21 -0.68 1 173 ASP 0.99 -0.34 1 175 ILE 3.60 -2.04 1 176 ALA 3.45 -1.64 1 178 LEU 2.51 -1.12 1 179 TYR 2.28 -0.95 1 196 TYR 3.63 -0.82 1 209 THR 0.64 -0.47 1 211 SER 0.88 -0.55 1 212 LEU -0.19 -0.71 1 213 ASP -1.30 0.49 1 215 SER 3.91 -1.61 1 218 ALA 4.28 -1.72 1 219 SER 4.48 -1.53 1 220 PHE 3.66 -0.96 1 230 ALA 1.67 -1.19 1 237 LEU 2.77 -1.18 1 238 ASP 3.29 -0.71 1 239 THR 5.42 -1.77 1 240 VAL 5.93 -2.36 1 241 ARG 4.22 -0.89 1 242 ARG 4.34 -1.84 1 243 ARG 2.95 -1.81 1 244 MET 2.48 -1.36 1 245 MET 2.10 -1.58 1 246 MET 1.04 -0.63 1 247 THR 0.56 -0.61 1 248 SER 1.52 -0.80 1 253 LYS 1.81 -1.51 1 254 TYR 1.80 -1.38 1 258 ILE 6.04 -3.16 1 259 ASP 3.73 -0.66 1 260 ALA 3.74 -1.62 1 261 LEU 3.82 -1.51 1 262 LYS 5.62 -1.84 1 263 LYS 4.23 -1.71 1 264 ILE 4.66 -1.51 1 265 VAL 5.53 -2.82 1 266 ALA 1.09 -0.84 1 267 SER 1.16 -0.42 1 270 VAL 4.48 -2.13 1 272 SER 3.32 -1.33 1 273 LEU 3.07 -1.51 1 274 PHE 1.87 -1.15 1 275 LYS 2.54 -1.37 1 277 ALA 2.04 -0.90 1 279 ALA 3.50 -1.62 1 280 ASN 3.47 -1.30 1 281 ILE 4.74 -1.85 1 282 LEU 4.28 -2.09 1 283 ARG 4.30 -1.80 1 284 SER 3.36 -0.92 1 285 VAL 3.12 -1.83 1 286 ALA 1.30 -0.85 1 288 ALA 1.68 -0.92 1 290 VAL 4.53 -1.98 1 294 TYR 4.20 -1.23 1 297 LEU 4.38 -2.07 1 298 GLN 5.20 -1.45 1 300 ILE 3.85 -1.25 1 301 LEU 2.56 -1.13 1 302 PHE -0.77 -0.23 1 304 LYS -0.12 -0.74 1 305 LYS -0.04 -0.82 1 306 PHE 0.54 -0.78 1 307 LYS 1.24 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26589_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.30 _LACS_plot.Line_1_terminator_val_y_1 -0.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 2.63 _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 307 LYS 1.24 4.06 0 10 THR 1.62 2.21 1 11 ASN 1.09 0.41 1 12 PHE 3.20 0.66 1 13 ALA 2.93 0.78 1 15 ASN 3.76 2.45 1 16 PHE 3.53 1.54 1 21 VAL 5.04 0.66 1 22 SER 4.06 1.61 1 23 ALA 3.03 1.49 1 24 ALA 2.85 1.83 1 25 ILE 3.60 0.65 1 27 LYS 2.17 0.90 1 28 THR 1.90 -0.26 1 33 ILE 5.03 0.88 1 34 GLU 8.64 2.21 1 35 ARG 3.91 2.41 1 36 VAL 5.90 -0.72 1 38 ILE 4.33 1.43 1 39 LEU 3.56 1.13 1 51 THR 1.43 0.26 1 55 LYS 3.39 1.03 1 56 TYR 2.06 0.83 1 57 SER 4.04 1.58 1 59 ILE 4.75 0.66 1 60 VAL 7.09 1.78 1 61 ASP 3.66 2.09 1 62 ALA 3.88 2.54 1 63 PHE 4.50 1.36 1 69 GLN 2.17 0.62 1 70 GLU 1.76 0.95 1 73 ILE 4.47 1.06 1 77 ARG 2.76 1.26 1 79 ASN 0.35 0.71 1 80 THR 4.30 0.57 1 81 ALA 2.93 0.99 1 82 ASN 2.17 1.13 1 83 VAL 4.03 0.24 1 84 ILE 3.84 0.71 1 85 ARG 3.24 0.31 1 86 TYR 0.89 -1.07 1 87 PHE 1.38 -0.24 1 89 THR 4.02 1.37 1 91 ALA 1.24 -0.29 1 92 LEU 1.56 -1.05 1 93 ASN 0.49 0.02 1 94 PHE 1.36 -0.27 1 95 ALA 2.04 0.22 1 98 ASP 3.89 2.05 1 112 TYR 2.73 1.31 1 114 LYS 3.14 1.44 1 115 TRP 2.76 1.05 1 116 PHE 1.98 0.10 1 117 ALA 1.64 0.88 1 119 ASN 1.35 0.67 1 120 LEU 2.13 -0.38 1 122 SER 1.05 0.69 1 125 ALA 2.82 0.46 1 126 ALA 3.50 2.07 1 132 LEU 0.93 -0.06 1 139 PHE 4.92 1.71 1 140 ALA 3.59 1.03 1 141 ARG 4.84 2.38 1 144 LEU 1.79 -0.45 1 145 ALA 0.65 -0.08 1 146 ALA 0.95 0.17 1 147 ASP 0.22 0.30 1 148 ALA 1.28 0.63 1 149 LYS 1.92 0.58 1 150 SER 0.55 0.23 1 151 SER -0.21 0.06 1 152 LYS 1.16 0.02 1 153 LYS 0.99 0.47 1 156 ALA 0.18 -0.04 1 157 ARG 1.23 -0.22 1 158 GLN 0.35 -0.38 1 159 PHE 0.59 -0.27 1 160 ASN 1.03 0.37 1 162 LEU 2.81 0.64 1 163 THR 5.09 1.22 1 164 ASP 3.06 1.79 1 165 VAL 4.83 1.69 1 166 TYR 3.39 0.85 1 168 LYS 3.21 1.54 1 170 LEU 2.21 -0.29 1 171 LYS 1.55 0.30 1 172 SER 1.21 0.29 1 173 ASP 0.99 1.18 1 175 ILE 3.60 0.52 1 176 ALA 3.45 1.76 1 178 LEU 2.51 0.21 1 179 TYR 2.28 0.59 1 196 TYR 3.63 0.79 1 211 SER 0.88 -0.84 1 212 LEU -0.19 -2.01 1 213 ASP -1.30 0.30 1 215 SER 3.91 4.16 1 218 ALA 4.28 1.02 1 219 SER 4.48 2.27 1 220 PHE 3.66 1.66 1 230 ALA 1.67 0.14 1 237 LEU 2.77 0.56 1 238 ASP 3.29 1.86 1 239 THR 5.42 1.61 1 240 VAL 5.93 0.90 1 241 ARG 4.22 1.97 1 242 ARG 4.34 2.30 1 243 ARG 2.95 1.73 1 244 MET 2.48 0.28 1 245 MET 2.10 2.39 1 246 MET 1.04 1.29 1 247 THR 0.56 0.28 1 248 SER 1.52 0.93 1 253 LYS 1.81 0.40 1 254 TYR 1.80 0.15 1 258 ILE 6.04 1.32 1 259 ASP 3.73 2.25 1 260 ALA 3.74 2.28 1 261 LEU 3.82 1.02 1 262 LYS 5.62 2.15 1 263 LYS 4.23 2.82 1 264 ILE 4.66 1.81 1 265 VAL 5.53 0.01 1 266 ALA 1.09 0.38 1 267 SER 1.16 0.76 1 270 VAL 4.48 0.86 1 272 SER 3.32 1.78 1 273 LEU 3.07 -0.27 1 274 PHE 1.87 0.18 1 275 LYS 2.54 0.79 1 277 ALA 2.04 1.33 1 279 ALA 3.50 1.49 1 280 ASN 3.47 2.70 1 281 ILE 4.74 1.25 1 282 LEU 4.28 0.79 1 283 ARG 4.30 2.14 1 284 SER 3.36 1.12 1 285 VAL 3.12 -0.19 1 286 ALA 1.30 0.46 1 288 ALA 1.68 1.37 1 290 VAL 4.53 0.64 1 293 MET 7.05 1.14 1 294 TYR 4.20 1.36 1 297 LEU 4.38 0.93 1 298 GLN 5.20 2.03 1 300 ILE 3.85 0.50 1 301 LEU 2.56 -0.14 1 302 PHE -0.77 1.24 1 304 LYS -0.12 -1.75 1 305 LYS -0.04 -0.38 1 306 PHE 0.54 -1.18 1 stop_ save_