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 bmr7130_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 -3.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.68 _LACS_plot.Line_2_terminator_val_x_2 9.17 _LACS_plot.Line_2_terminator_val_y_2 5.55 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 252 LYS 0.60 -4.41 0 12 GLU 6.53 8.25 0 10 VAL 0.98 -0.51 1 11 ILE -3.45 -0.53 1 14 ALA 3.52 3.03 1 15 ASP 8.33 2.12 1 16 LEU 3.31 1.79 1 17 GLN 7.28 4.37 1 18 ALA 1.72 0.99 1 19 ARG -1.42 -0.84 1 20 LEU 2.80 2.32 1 21 SER -1.21 -0.82 1 22 ALA 1.12 0.58 1 24 GLU 2.59 0.66 1 25 LEU -0.08 0.16 1 26 ILE 3.35 1.64 1 27 LEU -2.92 -2.26 1 31 THR -0.55 -2.07 1 32 SER -3.63 -1.35 1 33 ALA 5.49 2.93 1 34 ALA 3.81 2.08 1 35 ARG 1.20 1.72 1 36 TYR 5.39 4.50 1 37 ALA 2.77 1.38 1 38 GLU 2.75 1.47 1 40 HIS -6.18 -3.18 1 47 VAL -1.44 -2.18 1 48 ASP -1.03 -1.04 1 50 LYS 5.47 2.96 1 51 ARG 2.31 1.11 1 52 THR -0.72 -0.50 1 53 GLN -3.24 -1.53 1 54 LEU 4.30 3.11 1 56 GLN -2.37 -1.71 1 59 ALA 0.88 -0.38 1 62 LEU 1.77 0.59 1 63 GLN 2.61 0.05 1 66 ARG 7.51 4.33 1 67 GLU 4.13 1.92 1 68 GLN 4.01 2.13 1 69 LEU 3.80 2.62 1 70 GLU 5.34 3.89 1 71 SER 4.15 3.48 1 72 LEU 4.63 3.49 1 75 GLU 3.99 2.70 1 76 LEU 1.34 0.24 1 81 GLU 2.62 0.05 1 82 ALA -1.23 -0.27 1 83 VAL -1.70 -0.74 1 84 TYR -2.96 -0.55 1 88 ASP -4.11 -0.66 1 89 ASP -0.32 -1.31 1 90 GLU -2.04 -1.80 1 94 TRP 0.74 2.08 1 95 ALA 3.58 2.36 1 97 ARG 6.81 3.69 1 105 ILE 2.56 0.76 1 107 GLN 1.84 -0.73 1 108 GLN 3.66 1.01 1 109 ARG -0.35 -1.52 1 110 TYR -4.64 -3.32 1 111 HIS -2.19 -0.10 1 112 TYR 0.04 -1.87 1 114 ASN 2.00 0.70 1 117 LEU 1.51 1.05 1 118 THR 7.01 4.97 1 121 LEU 2.93 1.79 1 122 ALA 3.70 1.88 1 123 GLU -0.37 -1.42 1 124 ASP 2.83 0.44 1 125 ARG 7.39 1.98 1 127 LEU -6.47 -2.87 1 129 ARG 0.59 -0.71 1 130 GLU 0.38 0.19 1 131 LEU -1.80 -1.97 1 133 ALA -2.59 -1.89 1 135 ALA 2.46 1.22 1 139 VAL -4.59 -3.89 1 140 ALA 0.06 -0.85 1 141 LEU -5.07 -2.03 1 142 SER -1.41 -1.30 1 143 LEU -0.53 -1.81 1 144 HIS -0.09 0.95 1 145 ASP -1.94 -1.18 1 148 THR -4.34 -3.20 1 149 ALA -4.62 -2.18 1 150 SER 5.95 3.90 1 151 ARG 4.09 3.18 1 152 ASP 3.11 2.72 1 153 TYR 3.31 2.52 1 154 LEU 4.27 3.14 1 155 LEU 0.24 -1.41 1 157 ARG 3.40 1.50 1 158 LEU -0.40 0.00 1 160 ALA 2.55 1.22 1 161 ALA -1.09 -2.29 1 162 ASP -3.93 -1.30 1 163 LEU -3.48 -2.05 1 164 ALA -1.91 -1.87 1 165 ILE -4.41 -4.25 1 166 TRP -0.35 -0.76 1 167 ASP -2.45 -1.33 1 168 ALA -0.72 -0.81 1 169 ARG 0.39 0.87 1 170 SER 7.04 4.61 1 172 GLN 1.73 1.73 1 173 GLU 4.71 3.83 1 174 TYR 0.04 0.21 1 175 ARG 0.54 0.47 1 177 GLU -1.67 -1.84 1 178 LYS 2.35 1.56 1 179 VAL 0.63 -1.50 1 180 LEU -4.16 -2.13 1 181 ALA 4.06 2.61 1 182 ALA -2.59 -1.51 1 183 LYS -2.69 -1.45 1 186 HIS 3.27 2.50 1 187 ILE -2.00 0.92 1 190 ALA -2.79 -2.10 1 191 VAL -2.56 -1.93 1 192 ASN 2.78 0.58 1 193 PHE -0.15 -0.11 1 194 GLU 3.17 3.65 1 195 TRP 2.88 0.80 1 196 THR 2.69 0.52 1 197 ALA -0.28 -0.40 1 198 ALA -2.49 -0.89 1 199 MET -3.47 -2.72 1 200 ASP 1.89 1.86 1 202 SER -0.20 -1.41 1 203 ARG 3.69 -0.06 1 204 ALA 7.14 0.96 1 205 LEU -0.69 0.33 1 206 ARG 2.03 1.50 1 207 ILE 1.62 1.35 1 208 ARG 3.58 2.27 1 209 THR 0.67 -1.71 1 210 ASP 0.76 -0.08 1 211 ILE 4.94 3.22 1 212 ALA 3.81 1.52 1 214 ARG 6.02 2.23 1 215 LEU 4.79 3.11 1 216 GLU 3.39 1.83 1 217 GLU -0.75 -0.90 1 218 LEU 2.88 -1.27 1 220 ILE 0.08 -1.62 1 221 THR 2.60 -0.07 1 223 ASP -2.75 -1.43 1 224 LYS -1.33 -1.38 1 225 GLU -0.90 -3.58 1 226 ILE -1.23 -1.91 1 227 VAL -7.29 -4.95 1 228 THR -5.58 -0.66 1 229 HIS -1.04 0.01 1 233 HIS 1.51 0.51 1 234 HIS 2.24 3.71 1 235 ARG 0.85 -0.64 1 236 SER 4.05 2.36 1 238 LEU 9.17 3.57 1 239 THR 3.89 4.59 1 240 TYR 4.63 3.28 1 241 LEU 7.31 4.65 1 242 ILE 4.90 2.55 1 243 ALA 5.95 1.98 1 244 LYS 4.04 2.56 1 245 ALA -0.16 -0.37 1 246 LEU 4.66 0.67 1 248 TYR -2.08 -0.40 1 250 ARG -2.99 -1.31 1 251 VAL -7.89 -1.80 1 254 TYR 2.52 2.00 1 255 ALA 3.11 2.67 1 258 TRP 0.99 1.25 1 260 GLU 4.40 3.96 1 261 TRP -2.25 -0.48 1 263 ASN 0.56 2.79 1 264 HIS -0.82 0.03 1 266 ASP 1.25 -2.47 1 267 THR -4.29 -2.04 1 269 VAL -6.48 -1.87 1 270 GLU 0.76 1.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7130_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 4.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 9.17 _LACS_plot.Line_2_terminator_val_y_2 -3.62 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 252 LYS 0.60 -5.01 0 12 GLU 6.53 1.72 0 10 VAL 0.98 -1.49 1 11 ILE -3.45 2.92 1 14 ALA 3.52 -0.49 1 15 ASP 8.33 -6.21 1 16 LEU 3.31 -1.52 1 17 GLN 7.28 -2.91 1 18 ALA 1.72 -0.73 1 19 ARG -1.42 0.58 1 20 LEU 2.80 -0.48 1 21 SER -1.21 0.39 1 22 ALA 1.12 -0.54 1 24 GLU 2.59 -1.93 1 25 LEU -0.08 0.24 1 26 ILE 3.35 -1.71 1 27 LEU -2.92 0.66 1 31 THR -0.55 -1.52 1 32 SER -3.63 2.28 1 33 ALA 5.49 -2.56 1 34 ALA 3.81 -1.73 1 35 ARG 1.20 0.52 1 36 TYR 5.39 -0.89 1 37 ALA 2.77 -1.39 1 38 GLU 2.75 -1.28 1 40 HIS -6.18 3.00 1 47 VAL -1.44 -0.74 1 48 ASP -1.03 -0.01 1 50 LYS 5.47 -2.51 1 51 ARG 2.31 -1.20 1 52 THR -0.72 0.22 1 53 GLN -3.24 1.71 1 54 LEU 4.30 -1.19 1 56 GLN -2.37 0.66 1 59 ALA 0.88 -1.26 1 62 LEU 1.77 -1.18 1 63 GLN 2.61 -2.56 1 66 ARG 7.51 -3.18 1 67 GLU 4.13 -2.21 1 68 GLN 4.01 -1.88 1 69 LEU 3.80 -1.18 1 70 GLU 5.34 -1.45 1 71 SER 4.15 -0.67 1 72 LEU 4.63 -1.14 1 75 GLU 3.99 -1.29 1 76 LEU 1.34 -1.10 1 81 GLU 2.62 -2.57 1 82 ALA -1.23 0.96 1 83 VAL -1.70 0.96 1 84 TYR -2.96 2.41 1 88 ASP -4.11 3.45 1 89 ASP -0.32 -0.99 1 90 GLU -2.04 0.24 1 94 TRP 0.74 1.34 1 95 ALA 3.58 -1.22 1 97 ARG 6.81 -3.12 1 105 ILE 2.56 -1.80 1 107 GLN 1.84 -2.57 1 108 GLN 3.66 -2.65 1 109 ARG -0.35 -1.17 1 110 TYR -4.64 1.32 1 111 HIS -2.19 2.09 1 112 TYR 0.04 -1.91 1 114 ASN 2.00 -1.30 1 117 LEU 1.51 -0.46 1 118 THR 7.01 -2.04 1 121 LEU 2.93 -1.14 1 122 ALA 3.70 -1.82 1 123 GLU -0.37 -1.05 1 124 ASP 2.83 -2.39 1 125 ARG 7.39 -5.41 1 127 LEU -6.47 3.60 1 129 ARG 0.59 -1.30 1 130 GLU 0.38 -0.19 1 131 LEU -1.80 -0.17 1 133 ALA -2.59 0.70 1 135 ALA 2.46 -1.24 1 139 VAL -4.59 0.70 1 140 ALA 0.06 -0.91 1 141 LEU -5.07 3.04 1 142 SER -1.41 0.11 1 143 LEU -0.53 -1.28 1 144 HIS -0.09 1.04 1 145 ASP -1.94 0.76 1 148 THR -4.34 1.14 1 149 ALA -4.62 2.44 1 150 SER 5.95 -2.05 1 151 ARG 4.09 -0.91 1 152 ASP 3.11 -0.39 1 153 TYR 3.31 -0.79 1 154 LEU 4.27 -1.13 1 155 LEU 0.24 -1.65 1 157 ARG 3.40 -1.90 1 158 LEU -0.40 0.40 1 160 ALA 2.55 -1.33 1 161 ALA -1.09 -1.20 1 162 ASP -3.93 2.63 1 163 LEU -3.48 1.43 1 164 ALA -1.91 0.04 1 165 ILE -4.41 0.16 1 166 TRP -0.35 -0.41 1 167 ASP -2.45 1.12 1 168 ALA -0.72 -0.09 1 169 ARG 0.39 0.48 1 170 SER 7.04 -2.43 1 172 GLN 1.73 0.00 1 173 GLU 4.71 -0.88 1 174 TYR 0.04 0.17 1 175 ARG 0.54 -0.07 1 177 GLU -1.67 -0.17 1 178 LYS 2.35 -0.79 1 179 VAL 0.63 -2.13 1 180 LEU -4.16 2.03 1 181 ALA 4.06 -1.45 1 182 ALA -2.59 1.08 1 183 LYS -2.69 1.24 1 186 HIS 3.27 -0.77 1 187 ILE -2.00 2.92 1 190 ALA -2.79 0.69 1 191 VAL -2.56 0.63 1 192 ASN 2.78 -2.20 1 193 PHE -0.15 0.04 1 194 GLU 3.17 0.48 1 195 TRP 2.88 -2.08 1 196 THR 2.69 -2.17 1 197 ALA -0.28 -0.12 1 198 ALA -2.49 1.60 1 199 MET -3.47 0.75 1 200 ASP 1.89 -0.03 1 202 SER -0.20 -1.21 1 203 ARG 3.69 -3.75 1 204 ALA 7.14 -6.18 1 205 LEU -0.69 1.02 1 206 ARG 2.03 -0.53 1 207 ILE 1.62 -0.27 1 208 ARG 3.58 -1.31 1 209 THR 0.67 -2.38 1 210 ASP 0.76 -0.84 1 211 ILE 4.94 -1.72 1 212 ALA 3.81 -2.29 1 214 ARG 6.02 -3.79 1 215 LEU 4.79 -1.68 1 216 GLU 3.39 -1.56 1 217 GLU -0.75 -0.15 1 218 LEU 2.88 -4.15 1 220 ILE 0.08 -1.70 1 221 THR 2.60 -2.67 1 223 ASP -2.75 1.32 1 224 LYS -1.33 -0.05 1 225 GLU -0.90 -2.68 1 226 ILE -1.23 -0.68 1 227 VAL -7.29 2.34 1 228 THR -5.58 4.92 1 229 HIS -1.04 1.05 1 233 HIS 1.51 -1.00 1 234 HIS 2.24 1.47 1 235 ARG 0.85 -1.49 1 236 SER 4.05 -1.69 1 238 LEU 9.17 -5.60 1 239 THR 3.89 0.70 1 240 TYR 4.63 -1.35 1 241 LEU 7.31 -2.66 1 242 ILE 4.90 -2.35 1 243 ALA 5.95 -3.97 1 244 LYS 4.04 -1.48 1 245 ALA -0.16 -0.21 1 246 LEU 4.66 -3.99 1 248 TYR -2.08 1.68 1 250 ARG -2.99 1.68 1 251 VAL -7.89 6.09 1 254 TYR 2.52 -0.52 1 255 ALA 3.11 -0.44 1 258 TRP 0.99 0.26 1 260 GLU 4.40 -0.44 1 261 TRP -2.25 1.77 1 263 ASN 0.56 2.23 1 264 HIS -0.82 0.85 1 266 ASP 1.25 -3.72 1 267 THR -4.29 2.25 1 269 VAL -6.48 4.61 1 270 GLU 0.76 0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7130_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 -3.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.43 _LACS_plot.Line_2_terminator_val_x_2 9.17 _LACS_plot.Line_2_terminator_val_y_2 2.77 _LACS_plot.Y_axis_chem_shift_offset 0.65 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 203 ARG 3.69 -5.00 0 10 VAL 0.98 -1.90 1 11 ILE -3.45 1.30 1 12 GLU 6.53 0.50 1 14 ALA 3.52 2.60 1 15 ASP 8.33 2.20 1 16 LEU 3.31 0.70 1 17 GLN 7.28 1.30 1 18 ALA 1.72 -0.10 1 19 ARG -1.42 -0.60 1 20 LEU 2.80 0.40 1 21 SER -1.21 -0.60 1 22 ALA 1.12 1.50 1 24 GLU 2.59 -1.60 1 25 LEU -0.08 -1.20 1 26 ILE 3.35 -4.00 1 27 LEU -2.92 -3.50 1 31 THR -0.55 -0.60 1 32 SER -3.63 -1.50 1 33 ALA 5.49 2.70 1 34 ALA 3.81 2.00 1 35 ARG 1.20 2.40 1 36 TYR 5.39 4.00 1 37 ALA 2.77 1.40 1 38 GLU 2.75 0.80 1 40 HIS -6.18 -1.40 1 47 VAL -1.44 -5.70 1 48 ASP -1.03 0.90 1 50 LYS 5.47 2.60 1 51 ARG 2.31 0.00 1 52 THR -0.72 -0.70 1 53 GLN -3.24 -2.50 1 54 LEU 4.30 1.80 1 56 GLN -2.37 -2.00 1 59 ALA 0.88 -0.30 1 62 LEU 1.77 -1.60 1 63 GLN 2.61 -2.80 1 66 ARG 7.51 2.90 1 67 GLU 4.13 2.50 1 68 GLN 4.01 2.00 1 69 LEU 3.80 0.50 1 70 GLU 5.34 4.10 1 71 SER 4.15 1.70 1 72 LEU 4.63 -0.10 1 75 GLU 3.99 1.70 1 76 LEU 1.34 -1.60 1 81 GLU 2.62 -1.60 1 82 ALA -1.23 -0.90 1 83 VAL -1.70 -2.10 1 84 TYR -2.96 0.60 1 88 ASP -4.11 -1.90 1 89 ASP -0.32 -0.60 1 90 GLU -2.04 -1.20 1 94 TRP 0.74 3.50 1 95 ALA 3.58 1.00 1 97 ARG 6.81 1.30 1 105 ILE 2.56 0.10 1 107 GLN 1.84 -0.10 1 108 GLN 3.66 0.10 1 109 ARG -0.35 -1.20 1 110 TYR -4.64 -3.20 1 111 HIS -2.19 -0.60 1 112 TYR 0.04 -0.90 1 114 ASN 2.00 -0.10 1 117 LEU 1.51 -0.20 1 118 THR 7.01 2.60 1 121 LEU 2.93 4.10 1 122 ALA 3.70 0.80 1 123 GLU -0.37 -2.50 1 124 ASP 2.83 -2.00 1 125 ARG 7.39 -1.00 1 127 LEU -6.47 -1.30 1 129 ARG 0.59 -0.80 1 130 GLU 0.38 -2.00 1 131 LEU -1.80 -1.00 1 133 ALA -2.59 -2.60 1 135 ALA 2.46 -0.50 1 139 VAL -4.59 -3.70 1 140 ALA 0.06 0.00 1 141 LEU -5.07 -0.90 1 142 SER -1.41 -2.80 1 143 LEU -0.53 -0.40 1 144 HIS -0.09 0.80 1 145 ASP -1.94 -1.30 1 148 THR -4.34 -2.50 1 149 ALA -4.62 -1.00 1 150 SER 5.95 0.70 1 151 ARG 4.09 2.40 1 152 ASP 3.11 1.90 1 153 TYR 3.31 0.60 1 154 LEU 4.27 1.60 1 155 LEU 0.24 -1.40 1 157 ARG 3.40 0.80 1 158 LEU -0.40 1.00 1 160 ALA 2.55 0.20 1 161 ALA -1.09 -2.90 1 162 ASP -3.93 -2.60 1 163 LEU -3.48 -3.20 1 164 ALA -1.91 -2.40 1 165 ILE -4.41 -1.50 1 166 TRP -0.35 -1.20 1 167 ASP -2.45 -1.30 1 168 ALA -0.72 -2.30 1 169 ARG 7.04 4.20 1 172 GLN 1.73 2.10 1 173 GLU 4.71 0.80 1 174 TYR 0.04 -0.10 1 175 ARG 0.54 -0.60 1 177 GLU -1.67 -1.90 1 178 LYS 2.35 -1.40 1 179 VAL 0.63 -2.00 1 180 LEU -4.16 -3.60 1 181 ALA 4.06 0.00 1 182 ALA -2.59 -1.90 1 183 LYS -2.69 -1.70 1 186 HIS 3.27 -0.70 1 187 ILE -2.00 -0.80 1 190 ALA -2.79 -3.10 1 191 VAL -2.56 -2.20 1 192 ASN 2.78 -2.70 1 193 PHE -0.15 1.40 1 194 GLU 3.17 -0.80 1 195 TRP 2.88 1.80 1 196 THR 2.69 -0.60 1 197 ALA -0.28 -2.00 1 198 ALA -2.49 -1.60 1 199 MET -3.47 1.20 1 200 ASP 1.89 -0.40 1 202 SER -0.20 -0.20 1 204 ALA 7.14 -1.30 1 205 LEU -0.69 -0.90 1 206 ARG 2.03 1.80 1 207 ILE 1.62 1.20 1 208 ARG 3.58 0.80 1 209 THR 0.67 0.50 1 210 ASP 0.76 -1.60 1 211 ILE 4.94 2.50 1 212 ALA 3.81 2.00 1 214 ARG 6.02 1.80 1 215 LEU 4.79 3.50 1 216 GLU 3.39 0.90 1 217 GLU -0.75 -1.00 1 218 LEU 2.88 -2.50 1 220 ILE 0.08 -0.10 1 221 THR 2.60 -1.60 1 223 ASP -2.75 -2.30 1 224 LYS -1.33 -2.50 1 225 GLU -0.90 -1.10 1 226 ILE -1.23 -0.90 1 227 VAL -7.29 -4.00 1 228 THR -5.58 -2.10 1 229 HIS -1.04 -1.00 1 233 HIS 1.51 0.70 1 234 HIS 2.24 1.00 1 235 ARG 0.85 0.60 1 236 SER 4.05 -0.50 1 238 LEU 9.17 0.00 1 239 THR 3.89 -0.80 1 240 TYR 4.63 0.20 1 241 LEU 7.31 0.20 1 242 ILE 4.90 1.30 1 243 ALA 5.95 4.80 1 244 LYS 4.04 1.20 1 245 ALA -0.16 -0.50 1 246 LEU 4.66 0.40 1 248 TYR -2.08 -2.90 1 250 ARG -2.99 -1.20 1 251 VAL -7.89 -0.50 1 252 LYS 0.60 -2.70 1 254 TYR 2.52 -0.50 1 255 ALA 3.11 0.40 1 258 TRP 0.99 1.70 1 260 GLU 4.40 1.60 1 261 TRP -2.25 -1.90 1 263 ASN 0.56 1.50 1 264 HIS -0.82 0.20 1 266 ASP 1.25 -0.80 1 267 THR -4.29 -2.70 1 269 VAL -6.48 -4.70 1 270 GLU 0.76 4.00 1 stop_ save_