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 bmr16940_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.08 _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 -2.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.63 _LACS_plot.Line_2_terminator_val_x_2 9.07 _LACS_plot.Line_2_terminator_val_y_2 3.28 _LACS_plot.Y_axis_chem_shift_offset 3.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 HIS -0.74 1.98 0 11 LEU -2.47 -4.98 1 12 ARG 1.31 -2.31 1 14 LEU 1.40 -3.61 1 15 PHE 1.31 -1.47 1 16 GLU 7.85 3.81 1 17 LYS 5.01 -0.29 1 18 LYS -0.72 -3.93 1 19 SER -0.02 -2.05 1 20 LEU -3.66 -4.76 1 21 GLU -3.73 -4.71 1 22 ASP -0.20 -3.62 1 23 LYS 3.73 0.53 1 24 THR -0.91 -3.66 1 25 GLU 4.23 0.67 1 26 ARG 5.88 0.21 1 27 GLU 3.10 -1.09 1 28 LEU 2.92 -0.19 1 29 LEU 4.44 -0.55 1 30 GLU 2.62 -1.44 1 31 SER 2.00 -1.31 1 32 TYR -3.70 -7.23 1 33 ILE 0.58 -2.50 1 34 ASP 1.24 -2.17 1 36 ARG 1.65 -1.48 1 37 ILE -1.78 -6.84 1 38 VAL -1.84 -4.56 1 39 GLU 1.67 -2.02 1 41 SER -4.07 -4.78 1 42 ASP 1.93 -2.25 1 43 ALA -0.06 -3.66 1 44 GLU -2.34 -3.39 1 45 ILE 4.36 -1.57 1 47 MET 0.67 -1.32 1 48 SER 1.53 -2.17 1 50 TRP -1.31 -6.11 1 51 GLN 5.17 -0.78 1 52 VAL -2.32 -3.67 1 53 MET -3.73 -3.20 1 54 LEU 0.72 -2.99 1 55 PHE -6.15 -4.22 1 56 ARG -0.51 -2.63 1 57 LYS 3.76 0.76 1 58 SER -2.15 -4.46 1 60 GLN 2.51 -2.40 1 61 GLU -4.52 -4.86 1 62 LEU 1.85 -1.69 1 63 LEU -0.76 -2.48 1 66 ALA -2.33 -4.03 1 67 SER -4.56 -5.20 1 68 LEU -2.09 -3.11 1 69 ILE 0.36 -2.61 1 70 SER -0.40 -3.68 1 71 ASP 3.17 -1.24 1 72 ARG -3.25 -4.62 1 73 TRP -3.56 -3.66 1 74 VAL -4.92 -5.57 1 75 LEU -4.71 -4.33 1 76 THR -1.29 -4.02 1 77 ALA -1.31 -4.90 1 78 ALA 6.80 0.57 1 79 HIS 2.58 0.63 1 81 LEU -0.00 -2.94 1 82 LEU -2.25 -4.26 1 83 TYR 3.86 -0.50 1 86 TRP -5.12 -7.41 1 87 ASP 3.04 -1.77 1 88 LYS -0.55 -4.97 1 89 ASN 0.88 -3.24 1 90 PHE -1.03 -2.44 1 91 THR -3.96 -4.80 1 92 GLU 6.76 1.60 1 93 ASN 1.38 -1.70 1 94 ASP -0.77 -1.04 1 95 LEU -4.76 -3.93 1 96 LEU -5.45 -4.65 1 97 VAL -2.58 -5.60 1 98 ARG -1.73 -3.94 1 99 ILE 0.33 -1.47 1 101 LYS 3.50 -1.35 1 103 SER 0.38 -2.86 1 104 ARG 1.98 0.16 1 105 THR -0.13 -2.98 1 106 ARG 1.21 -2.46 1 107 TYR 1.24 -4.50 1 108 GLU 0.67 -4.60 1 109 ARG 2.75 -1.03 1 111 ILE 1.36 -0.94 1 112 GLU -4.89 -4.71 1 113 LYS -4.79 -5.61 1 114 ILE 1.39 -3.49 1 115 SER -2.51 -3.47 1 116 MET -1.23 -3.17 1 117 LEU -0.85 -3.90 1 118 GLU -1.05 -2.47 1 119 LYS -4.38 -4.09 1 120 ILE -1.79 -3.27 1 121 TYR -1.59 -3.53 1 122 ILE -0.29 -3.49 1 123 HIS 3.31 1.65 1 125 ARG -0.04 -4.81 1 126 TYR -0.46 -3.93 1 127 ASN -2.16 -5.63 1 128 TRP 0.51 -4.42 1 129 ARG 3.68 -0.29 1 130 GLU -0.78 -2.42 1 131 ASN -0.36 -3.64 1 132 LEU 0.40 -2.40 1 133 ASP 1.11 -1.25 1 134 ARG 4.15 -1.37 1 135 ASP -0.48 -3.85 1 136 ILE -2.99 -3.26 1 137 ALA -5.95 -4.59 1 138 LEU -6.84 -4.85 1 139 MET -3.47 -4.13 1 140 LYS -3.31 -5.23 1 141 LEU 0.66 -3.16 1 142 LYS 3.46 0.17 1 143 LYS -2.82 -4.40 1 145 VAL -2.60 -5.33 1 146 ALA -0.95 -4.47 1 147 PHE -0.63 -6.02 1 148 SER -3.90 -3.96 1 149 ASP 4.53 -0.38 1 150 TYR -2.96 -4.50 1 151 ILE -1.28 -2.83 1 152 HIS -3.82 -0.98 1 154 VAL -1.53 -5.10 1 156 LEU -0.23 -4.18 1 158 ASP -3.59 -5.45 1 159 ARG 5.30 0.82 1 160 GLU 4.54 0.00 1 161 THR 7.52 2.25 1 162 ALA 5.03 -0.13 1 163 ALA 3.26 -1.08 1 164 SER 3.15 -0.10 1 165 LEU 1.05 -2.52 1 166 LEU -1.06 -4.74 1 167 GLN -3.33 -5.50 1 168 ALA 2.38 -2.14 1 170 TYR 0.90 -4.60 1 171 LYS -3.07 -3.12 1 173 ARG -5.42 -4.70 1 174 VAL -2.76 -4.19 1 175 THR -6.80 -7.87 1 177 TRP 1.59 -1.80 1 179 ASN 1.28 -1.82 1 180 LEU -1.03 -3.01 1 181 LYS -6.09 -5.10 1 182 GLU 2.70 -0.17 1 194 SER 2.39 -1.23 1 195 VAL -6.59 -6.94 1 196 LEU 2.03 -1.73 1 197 GLN -7.08 -5.93 1 198 VAL -5.92 -6.19 1 199 VAL -3.74 -4.34 1 200 ASN -2.29 -4.72 1 201 LEU -6.82 -4.53 1 203 ILE 3.53 -1.30 1 204 VAL -0.32 -3.08 1 205 GLU 1.19 -2.33 1 208 VAL 5.78 0.23 1 210 LYS 4.66 0.69 1 211 ASP 2.31 -1.20 1 212 SER 0.94 -0.95 1 213 THR -1.45 -4.75 1 214 ARG 0.80 -3.38 1 215 ILE 3.65 -2.29 1 216 ARG 1.80 -2.47 1 217 ILE -1.02 -3.94 1 218 THR -4.99 -5.67 1 219 ASP 2.75 -1.38 1 220 ASN 2.15 -1.95 1 221 MET -4.31 -3.63 1 222 PHE -1.91 -3.79 1 224 ALA -5.29 -3.98 1 226 TYR 1.87 -1.10 1 227 LYS 2.28 -1.99 1 229 ASP 1.65 -2.70 1 230 GLU 0.38 -1.55 1 232 LYS -1.92 -4.23 1 233 ARG -2.52 -4.32 1 235 ASP -4.00 -4.09 1 236 ALA -2.02 -3.37 1 238 GLU 5.85 1.25 1 241 SER 1.75 -2.56 1 245 PHE -1.86 -4.51 1 246 VAL -5.25 -6.31 1 247 MET -6.00 -3.04 1 248 LYS -0.10 -4.85 1 249 SER -3.09 -4.73 1 251 PHE 1.90 -2.26 1 252 ASN -1.02 -4.15 1 253 ASN 2.56 -0.94 1 254 ARG -2.25 -3.86 1 255 TRP -1.58 -3.48 1 256 TYR -5.74 -4.48 1 257 GLN 3.11 -2.82 1 258 MET -0.70 -4.66 1 260 ILE -3.42 -3.56 1 261 VAL 4.96 0.57 1 262 SER 1.75 -1.35 1 263 TRP -3.82 -3.91 1 265 GLU -1.14 -3.10 1 268 ASP -0.40 -1.58 1 269 ARG 0.53 -2.94 1 270 ASP 2.81 -1.48 1 272 LYS -1.09 -3.77 1 273 TYR -4.83 -3.39 1 275 PHE -0.03 -2.77 1 276 TYR -3.56 -4.70 1 277 THR 2.92 -1.08 1 278 HIS -1.52 -1.78 1 279 VAL 7.49 2.93 1 280 PHE 5.70 2.06 1 281 ARG 5.11 -0.34 1 282 LEU -0.40 -4.37 1 283 LYS 4.28 0.64 1 284 LYS 9.07 3.88 1 285 TRP 7.23 1.77 1 286 ILE 4.28 0.53 1 287 GLN 3.16 -0.68 1 288 LYS 4.49 -0.29 1 289 VAL 6.76 0.97 1 290 ILE 5.75 0.75 1 291 ASP 2.82 -0.79 1 292 GLN 2.76 -1.15 1 293 PHE 1.08 -2.67 1 295 GLU -0.11 -2.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16940_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 1.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -4.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.63 _LACS_plot.Line_2_terminator_val_x_2 9.07 _LACS_plot.Line_2_terminator_val_y_2 -5.79 _LACS_plot.Y_axis_chem_shift_offset 3.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 HIS -0.74 2.72 0 11 LEU -2.47 -2.51 1 12 ARG 1.31 -3.62 1 14 LEU 1.40 -5.01 1 15 PHE 1.31 -2.78 1 16 GLU 7.85 -4.04 1 17 LYS 5.01 -5.30 1 18 LYS -0.72 -3.21 1 19 SER -0.02 -2.03 1 20 LEU -3.66 -1.10 1 21 GLU -3.73 -0.98 1 22 ASP -0.20 -3.42 1 23 LYS 3.73 -3.20 1 24 THR -0.91 -2.75 1 25 GLU 4.23 -3.56 1 26 ARG 5.88 -5.67 1 27 GLU 3.10 -4.19 1 28 LEU 2.92 -3.11 1 29 LEU 4.44 -4.99 1 30 GLU 2.62 -4.06 1 31 SER 2.00 -3.31 1 32 TYR -3.70 -3.53 1 33 ILE 0.58 -3.08 1 34 ASP 1.24 -3.41 1 36 ARG 1.65 -3.13 1 37 ILE -1.78 -5.06 1 38 VAL -1.84 -2.72 1 39 GLU 1.67 -3.69 1 41 SER -4.07 -0.71 1 42 ASP 1.93 -4.18 1 43 ALA -0.06 -3.60 1 44 GLU -2.34 -1.05 1 45 ILE 4.36 -5.93 1 47 MET 0.67 -1.99 1 48 SER 1.53 -3.70 1 50 TRP -1.31 -4.80 1 51 GLN 5.17 -5.95 1 52 VAL -2.32 -1.35 1 53 MET -3.73 0.53 1 54 LEU 0.72 -3.71 1 55 PHE -6.15 1.93 1 56 ARG -0.51 -2.12 1 57 LYS 3.76 -3.00 1 58 SER -2.15 -2.31 1 60 GLN 2.51 -4.91 1 61 GLU -4.52 -0.34 1 62 LEU 1.85 -3.54 1 63 LEU -0.76 -1.72 1 66 ALA -2.33 -1.70 1 67 SER -4.56 -0.64 1 68 LEU -2.09 -1.02 1 69 ILE 0.36 -2.97 1 70 SER -0.40 -3.28 1 71 ASP 3.17 -4.41 1 72 ARG -3.25 -1.37 1 73 TRP -3.56 -0.10 1 74 VAL -4.92 -0.65 1 75 LEU -4.71 0.38 1 76 THR -1.29 -2.73 1 77 ALA -1.31 -3.59 1 78 ALA 6.80 -6.23 1 79 HIS 2.58 -1.95 1 81 LEU -0.00 -2.94 1 82 LEU -2.25 -2.01 1 83 TYR 3.86 -4.36 1 86 TRP -5.12 -2.29 1 87 ASP 3.04 -4.81 1 88 LYS -0.55 -4.42 1 89 ASN 0.88 -4.12 1 90 PHE -1.03 -1.41 1 91 THR -3.96 -0.84 1 92 GLU 6.76 -5.16 1 93 ASN 1.38 -3.08 1 94 ASP -0.77 -0.27 1 95 LEU -4.76 0.83 1 96 LEU -5.45 0.80 1 97 VAL -2.58 -3.02 1 98 ARG -1.73 -2.21 1 99 ILE 0.33 -1.80 1 101 LYS 3.50 -4.85 1 103 SER 0.38 -3.24 1 104 ARG 1.98 -1.82 1 105 THR -0.13 -2.85 1 106 ARG 1.21 -3.67 1 107 TYR 1.24 -5.74 1 108 GLU 0.67 -5.27 1 109 ARG 2.75 -3.78 1 111 ILE 1.36 -2.30 1 112 GLU -4.89 0.18 1 113 LYS -4.79 -0.82 1 114 ILE 1.39 -4.88 1 115 SER -2.51 -0.96 1 116 MET -1.23 -1.94 1 117 LEU -0.85 -3.05 1 118 GLU -1.05 -1.42 1 119 LYS -4.38 0.29 1 120 ILE -1.79 -1.48 1 121 TYR -1.59 -1.94 1 122 ILE -0.29 -3.20 1 123 HIS 3.31 -1.66 1 125 ARG -0.04 -4.77 1 126 TYR -0.46 -3.47 1 127 ASN -2.16 -3.47 1 128 TRP 0.51 -4.93 1 129 ARG 3.68 -3.97 1 130 GLU -0.78 -1.64 1 131 ASN -0.36 -3.28 1 132 LEU 0.40 -2.80 1 133 ASP 1.11 -2.36 1 134 ARG 4.15 -5.52 1 135 ASP -0.48 -3.37 1 136 ILE -2.99 -0.27 1 137 ALA -5.95 1.36 1 138 LEU -6.84 1.99 1 139 MET -3.47 -0.66 1 140 LYS -3.31 -1.92 1 141 LEU 0.66 -3.82 1 142 LYS 3.46 -3.29 1 143 LYS -2.82 -1.58 1 145 VAL -2.60 -2.73 1 146 ALA -0.95 -3.52 1 147 PHE -0.63 -5.39 1 148 SER -3.90 -0.06 1 149 ASP 4.53 -4.91 1 150 TYR -2.96 -1.54 1 151 ILE -1.28 -1.55 1 152 HIS -3.82 2.84 1 154 VAL -1.53 -3.57 1 156 LEU -0.23 -3.95 1 158 ASP -3.59 -1.86 1 159 ARG 5.30 -4.48 1 160 GLU 4.54 -4.54 1 161 THR 7.52 -5.27 1 162 ALA 5.03 -5.16 1 163 ALA 3.26 -4.34 1 164 SER 3.15 -3.25 1 165 LEU 1.05 -3.57 1 166 LEU -1.06 -3.68 1 167 GLN -3.33 -2.17 1 168 ALA 2.38 -4.52 1 170 TYR 0.90 -5.50 1 171 LYS -3.07 -0.05 1 173 ARG -5.42 0.72 1 174 VAL -2.76 -1.43 1 175 THR -6.80 -1.07 1 177 TRP 1.59 -3.39 1 179 ASN 1.28 -3.10 1 180 LEU -1.03 -1.98 1 181 LYS -6.09 0.99 1 182 GLU 2.70 -2.87 1 194 SER 2.39 -3.62 1 195 VAL -6.59 -0.35 1 196 LEU 2.03 -3.76 1 197 GLN -7.08 1.15 1 198 VAL -5.92 -0.27 1 199 VAL -3.74 -0.60 1 200 ASN -2.29 -2.43 1 201 LEU -6.82 2.29 1 203 ILE 3.53 -4.83 1 204 VAL -0.32 -2.76 1 205 GLU 1.19 -3.52 1 208 VAL 5.78 -5.55 1 210 LYS 4.66 -3.97 1 211 ASP 2.31 -3.51 1 212 SER 0.94 -1.89 1 213 THR -1.45 -3.30 1 214 ARG 0.80 -4.18 1 215 ILE 3.65 -5.94 1 216 ARG 1.80 -4.27 1 217 ILE -1.02 -2.92 1 218 THR -4.99 -0.68 1 219 ASP 2.75 -4.13 1 220 ASN 2.15 -4.10 1 221 MET -4.31 0.68 1 222 PHE -1.91 -1.88 1 224 ALA -5.29 1.31 1 226 TYR 1.87 -2.97 1 227 LYS 2.28 -4.27 1 229 ASP 1.65 -4.35 1 230 GLU 0.38 -1.93 1 232 LYS -1.92 -2.31 1 233 ARG -2.52 -1.80 1 235 ASP -4.00 -0.09 1 236 ALA -2.02 -1.35 1 238 GLU 5.85 -4.60 1 241 SER 1.75 -4.31 1 245 PHE -1.86 -2.65 1 246 VAL -5.25 -1.06 1 247 MET -6.00 2.96 1 248 LYS -0.10 -4.75 1 249 SER -3.09 -1.64 1 251 PHE 1.90 -4.16 1 252 ASN -1.02 -3.13 1 253 ASN 2.56 -3.50 1 254 ARG -2.25 -1.61 1 255 TRP -1.58 -1.90 1 256 TYR -5.74 1.26 1 257 GLN 3.11 -5.93 1 258 MET -0.70 -3.96 1 260 ILE -3.42 -0.14 1 261 VAL 4.96 -4.39 1 262 SER 1.75 -3.10 1 263 TRP -3.82 -0.09 1 265 GLU -1.14 -1.96 1 268 ASP -0.40 -1.18 1 269 ARG 0.53 -3.47 1 270 ASP 2.81 -4.29 1 272 LYS -1.09 -2.68 1 273 TYR -4.83 1.44 1 275 PHE -0.03 -2.74 1 276 TYR -3.56 -1.14 1 277 THR 2.92 -4.00 1 278 HIS -1.52 -0.26 1 279 VAL 7.49 -4.56 1 280 PHE 5.70 -3.64 1 281 ARG 5.11 -5.45 1 282 LEU -0.40 -3.97 1 283 LYS 4.28 -3.64 1 284 LYS 9.07 -5.19 1 285 TRP 7.23 -5.46 1 286 ILE 4.28 -3.75 1 287 GLN 3.16 -3.84 1 288 LYS 4.49 -4.78 1 289 VAL 6.76 -5.79 1 290 ILE 5.75 -5.00 1 291 ASP 2.82 -3.61 1 292 GLN 2.76 -3.91 1 293 PHE 1.08 -3.75 1 295 GLU -0.11 -2.09 1 stop_ save_