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 bmr17721_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 -3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.89 _LACS_plot.Line_2_terminator_val_x_2 3.58 _LACS_plot.Line_2_terminator_val_y_2 1.82 _LACS_plot.Y_axis_chem_shift_offset 0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 ILE -1.18 -3.57 0 97 HIS -5.24 -0.20 0 13 PHE -1.19 -2.47 1 14 PHE 0.32 1.41 1 15 GLU 2.17 2.09 1 16 GLN -4.08 -3.05 1 18 THR -4.15 -2.89 1 19 TYR -4.37 -0.89 1 24 ASN 0.40 -1.42 1 27 THR -5.63 -2.63 1 28 VAL -4.54 -4.07 1 29 ALA -3.33 -3.00 1 30 LEU -0.13 -0.04 1 31 THR 0.11 0.22 1 32 ILE -1.36 -1.37 1 33 ILE -3.09 -4.15 1 34 ARG -3.17 -2.66 1 40 THR 2.30 0.97 1 41 ASN -0.69 -0.85 1 42 THR 1.14 0.26 1 43 VAL -4.25 -2.38 1 44 PHE -4.13 -2.59 1 45 VAL -2.42 -1.30 1 46 ASP -1.17 -1.16 1 48 ARG -2.26 -0.57 1 49 THR -3.30 -1.71 1 50 GLU -4.59 -1.22 1 51 ASP 3.05 2.31 1 53 THR 2.07 0.76 1 54 ALA -2.62 -2.38 1 56 ALA 1.09 -0.87 1 59 ASP -2.03 0.61 1 60 TYR -3.14 -2.67 1 61 GLU -2.28 -2.12 1 62 PHE 3.33 1.63 1 63 THR -1.04 -0.12 1 64 GLU -5.10 -3.45 1 66 THR -2.46 -0.21 1 67 VAL -1.65 -1.91 1 68 VAL -2.61 -2.59 1 69 PHE 0.40 -1.24 1 75 GLN -2.93 -0.99 1 77 GLU -4.43 -2.20 1 80 VAL -3.16 -1.88 1 85 ASP -1.23 -0.66 1 86 ASP 0.63 0.18 1 87 ILE 0.17 -0.89 1 89 GLU -2.14 -1.17 1 90 GLU -0.90 -0.82 1 93 ASN -5.56 -2.29 1 94 PHE -1.86 -1.35 1 95 LEU -4.22 -2.14 1 98 LEU -2.67 -2.25 1 99 SER -2.13 -0.58 1 101 VAL 2.50 0.36 1 102 LYS -4.75 -1.75 1 103 VAL -2.95 -2.10 1 107 ALA 0.11 -0.54 1 120 ALA 0.62 -0.29 1 121 LEU 0.13 0.05 1 122 ALA -3.54 -1.78 1 124 LEU 1.02 0.02 1 128 SER 0.06 -0.41 1 129 THR -2.48 0.40 1 130 ALA -3.75 -3.66 1 131 THR -0.17 -0.65 1 142 ILE 0.82 -1.18 1 143 PHE -1.02 -0.45 1 144 THR -3.17 -2.50 1 145 PHE 1.98 1.39 1 146 GLU 1.69 2.41 1 149 VAL -4.67 -2.94 1 150 THR -1.44 -1.42 1 151 HIS -1.85 -1.05 1 152 VAL -5.75 -3.83 1 153 SER -1.53 -1.50 1 154 GLU 3.59 0.98 1 155 SER -0.55 -1.12 1 156 ILE 2.00 1.02 1 158 ILE -1.30 -1.70 1 159 MET -2.57 -1.50 1 160 GLU -3.55 -2.13 1 161 VAL -3.15 -2.24 1 162 LYS -0.18 0.23 1 163 VAL 0.92 0.06 1 164 LEU -1.39 -1.51 1 166 THR -3.55 -2.24 1 170 ARG 1.59 -0.54 1 172 ASN -1.34 -1.65 1 173 VAL -5.20 -2.24 1 174 ILE -0.28 -0.39 1 177 TYR -5.70 -2.09 1 178 LYS -1.74 -0.68 1 179 THR -3.59 -1.96 1 180 ILE -3.78 -0.66 1 184 ALA -1.50 -2.11 1 185 ARG -2.27 -1.99 1 191 PHE -0.86 -1.81 1 192 GLU -1.87 -1.95 1 193 ASP 0.92 0.22 1 197 GLU -3.95 -1.89 1 198 LEU -3.43 -2.13 1 199 GLU -1.92 -1.97 1 200 PHE -1.06 -1.47 1 202 ASN 2.19 2.62 1 204 GLU -0.82 -0.11 1 205 ILE 0.77 0.54 1 207 LYS -6.02 -2.88 1 208 THR -3.60 -2.30 1 210 SER -2.12 -1.60 1 211 VAL -4.05 -2.05 1 212 LYS 1.23 0.11 1 214 ILE 0.74 -1.88 1 224 THR -4.11 -2.03 1 226 PHE -5.61 -2.93 1 227 LEU -5.11 -1.78 1 228 GLU -6.56 -2.14 1 229 ILE -2.34 -2.04 1 233 ARG -3.35 -2.26 1 235 VAL 1.43 0.17 1 245 THR -0.27 -0.55 1 246 ILE 0.76 -0.36 1 247 THR -0.08 -0.57 1 256 LEU 0.83 -0.22 1 266 ILE 2.96 1.36 1 269 MET 1.67 0.72 1 273 ILE -6.50 -1.92 1 274 LEU -0.44 -1.04 1 276 GLU 2.98 2.67 1 277 HIS -3.29 -1.93 1 279 LYS -2.17 -1.13 1 280 LEU -2.91 -2.24 1 281 GLU -1.94 -1.80 1 283 ILE 0.01 -1.02 1 284 ILE 0.39 -0.83 1 285 GLU -4.46 -2.68 1 286 GLU 0.26 -0.62 1 293 THR -0.26 -0.67 1 294 VAL 0.26 -0.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17721_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 3.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 3.58 _LACS_plot.Line_2_terminator_val_y_2 -1.76 _LACS_plot.Y_axis_chem_shift_offset 0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 ILE -1.18 -2.39 0 97 HIS -5.24 5.04 0 13 PHE -1.19 -1.28 1 14 PHE 0.32 1.09 1 15 GLU 2.17 -0.08 1 16 GLN -4.08 1.03 1 18 THR -4.15 1.26 1 19 TYR -4.37 3.48 1 24 ASN 0.40 -1.82 1 27 THR -5.63 3.00 1 28 VAL -4.54 0.47 1 29 ALA -3.33 0.33 1 30 LEU -0.13 0.09 1 31 THR 0.11 0.11 1 32 ILE -1.36 -0.01 1 33 ILE -3.09 -1.06 1 34 ARG -3.17 0.51 1 40 THR 2.30 -1.33 1 41 ASN -0.69 -0.16 1 42 THR 1.14 -0.88 1 43 VAL -4.25 1.87 1 44 PHE -4.13 1.54 1 45 VAL -2.42 1.12 1 46 ASP -1.17 0.01 1 48 ARG -2.26 1.69 1 49 THR -3.30 1.59 1 50 GLU -4.59 3.37 1 51 ASP 3.05 -0.74 1 53 THR 2.07 -1.31 1 54 ALA -2.62 0.24 1 56 ALA 1.09 -1.96 1 59 ASP -2.03 2.64 1 60 TYR -3.14 0.47 1 61 GLU -2.28 0.16 1 62 PHE 3.33 -1.70 1 63 THR -1.04 0.92 1 64 GLU -5.10 1.65 1 66 THR -2.46 2.25 1 67 VAL -1.65 -0.26 1 68 VAL -2.61 0.02 1 69 PHE 0.40 -1.64 1 75 GLN -2.93 1.94 1 77 GLU -4.43 2.23 1 80 VAL -3.16 1.28 1 85 ASP -1.23 0.57 1 86 ASP 0.63 -0.45 1 87 ILE 0.17 -1.06 1 89 GLU -2.14 0.97 1 90 GLU -0.90 0.08 1 93 ASN -5.56 3.27 1 94 PHE -1.86 0.51 1 95 LEU -4.22 2.08 1 98 LEU -2.67 0.42 1 99 SER -2.13 1.55 1 101 VAL 2.50 -2.14 1 102 LYS -4.75 3.00 1 103 VAL -2.95 0.85 1 107 ALA 0.11 -0.65 1 120 ALA 0.62 -0.91 1 121 LEU 0.13 -0.08 1 122 ALA -3.54 1.76 1 124 LEU 1.02 -1.00 1 128 SER 0.06 -0.47 1 129 THR -2.48 2.88 1 130 ALA -3.75 0.09 1 131 THR -0.17 -0.48 1 142 ILE 0.82 -2.00 1 143 PHE -1.02 0.57 1 144 THR -3.17 0.67 1 145 PHE 1.98 -0.59 1 146 GLU 1.69 0.72 1 149 VAL -4.67 1.73 1 150 THR -1.44 0.02 1 151 HIS -1.85 0.80 1 152 VAL -5.75 1.92 1 153 SER -1.53 0.03 1 154 GLU 3.59 -2.61 1 155 SER -0.55 -0.57 1 156 ILE 2.00 -0.98 1 158 ILE -1.30 -0.40 1 159 MET -2.57 1.07 1 160 GLU -3.55 1.42 1 161 VAL -3.15 0.91 1 162 LYS -0.18 0.41 1 163 VAL 0.92 -0.86 1 164 LEU -1.39 -0.12 1 166 THR -3.55 1.31 1 170 ARG 1.59 -2.13 1 172 ASN -1.34 -0.31 1 173 VAL -5.20 2.96 1 174 ILE -0.28 -0.11 1 177 TYR -5.70 3.61 1 178 LYS -1.74 1.06 1 179 THR -3.59 1.63 1 180 ILE -3.78 3.12 1 184 ALA -1.50 -0.61 1 185 ARG -2.27 0.28 1 191 PHE -0.86 -0.95 1 192 GLU -1.87 -0.08 1 193 ASP 0.92 -0.70 1 197 GLU -3.95 2.06 1 198 LEU -3.43 1.30 1 199 GLU -1.92 -0.05 1 200 PHE -1.06 -0.41 1 202 ASN 2.19 0.43 1 204 GLU -0.82 0.71 1 205 ILE 0.77 -0.23 1 207 LYS -6.02 3.14 1 208 THR -3.60 1.30 1 210 SER -2.12 0.52 1 211 VAL -4.05 2.00 1 212 LYS 1.23 -1.12 1 214 ILE 0.74 -2.62 1 224 THR -4.11 2.08 1 226 PHE -5.61 2.68 1 227 LEU -5.11 3.33 1 228 GLU -6.56 4.42 1 229 ILE -2.34 0.30 1 233 ARG -3.35 1.09 1 235 VAL 1.43 -1.26 1 245 THR -0.27 -0.28 1 246 ILE 0.76 -1.12 1 247 THR -0.08 -0.49 1 256 LEU 0.83 -1.05 1 266 ILE 2.96 -1.60 1 269 MET 1.67 -0.95 1 273 ILE -6.50 4.58 1 274 LEU -0.44 -0.60 1 276 GLU 2.98 -0.31 1 277 HIS -3.29 1.36 1 279 LYS -2.17 1.04 1 280 LEU -2.91 0.67 1 281 GLU -1.94 0.14 1 283 ILE 0.01 -1.03 1 284 ILE 0.39 -1.22 1 285 GLU -4.46 1.78 1 286 GLU 0.26 -0.88 1 293 THR -0.26 -0.41 1 294 VAL 0.26 -0.95 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17721_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 3.58 _LACS_plot.Line_2_terminator_val_y_2 0.21 _LACS_plot.Y_axis_chem_shift_offset 0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 HIS -5.24 3.00 0 13 PHE -1.19 -2.24 1 14 PHE 0.32 0.44 1 15 GLU 2.17 -0.62 1 16 GLN -4.08 -2.34 1 18 THR -4.15 -2.70 1 19 TYR -4.37 -1.70 1 24 ASN 0.40 1.89 1 27 THR -5.63 -2.31 1 28 VAL -4.54 -4.50 1 29 ALA -3.33 -1.49 1 30 LEU -0.13 -2.47 1 31 THR 0.11 -2.17 1 32 ILE -1.36 -3.09 1 33 ILE -3.09 -2.78 1 34 ARG -3.17 -1.98 1 40 THR 2.30 -0.17 1 41 ASN -0.69 -0.62 1 42 THR 1.14 -0.96 1 43 VAL -4.25 -3.51 1 44 PHE -4.13 -1.06 1 45 VAL -2.42 -4.36 1 46 ASP -1.17 -0.91 1 48 ARG -2.26 -1.27 1 49 THR -3.30 -0.15 1 50 GLU -4.59 -2.58 1 51 ASP 3.05 0.57 1 53 THR 2.07 0.79 1 54 ALA -2.62 -1.06 1 56 ALA 1.09 1.26 1 59 ASP -2.03 -0.86 1 60 TYR -3.14 -4.73 1 61 GLU -2.28 -1.14 1 62 PHE 3.33 -0.04 1 63 THR -1.04 -5.01 1 64 GLU -5.10 -2.24 1 66 THR -2.46 -0.43 1 67 VAL -1.65 -3.21 1 68 VAL -2.61 -1.00 1 69 PHE 0.40 -1.03 1 75 GLN -2.93 -1.66 1 77 GLU -4.43 -0.28 1 80 VAL -3.16 -0.41 1 82 ILE -1.18 0.37 1 85 ASP -1.23 -0.52 1 86 ASP 0.63 -0.50 1 87 ILE 0.17 -1.11 1 89 GLU -2.14 -2.19 1 90 GLU -0.90 -1.71 1 93 ASN -5.56 -1.16 1 94 PHE -1.86 -4.80 1 95 LEU -4.22 -0.93 1 98 LEU -2.67 -0.88 1 99 SER -2.13 -2.06 1 101 VAL 2.50 1.05 1 103 VAL -2.95 -0.67 1 107 ALA 0.11 -0.23 1 121 LEU 0.13 -0.49 1 122 ALA -3.54 -3.21 1 124 LEU 1.02 0.90 1 128 SER 0.06 -2.14 1 129 THR -2.48 -2.24 1 130 ALA -3.75 -1.92 1 131 THR -0.17 -1.10 1 142 ILE 0.82 1.29 1 143 PHE -1.02 -0.74 1 144 THR -3.17 -2.51 1 145 PHE 1.98 2.39 1 146 GLU 1.69 -1.01 1 149 VAL -4.67 -2.37 1 150 THR -1.44 -4.23 1 151 HIS -1.85 0.45 1 152 VAL -5.75 -2.90 1 153 SER -1.53 1.79 1 154 GLU 3.59 -1.16 1 155 SER -0.55 0.63 1 156 ILE 2.00 -1.76 1 158 ILE -1.30 -1.20 1 159 MET -2.57 -2.60 1 160 GLU -3.55 -0.71 1 161 VAL -3.15 -1.46 1 162 LYS -0.18 -0.80 1 163 VAL 0.92 -2.20 1 164 LEU -1.39 -3.22 1 166 THR -3.55 -0.50 1 170 ARG 1.59 0.15 1 172 ASN -1.34 -0.93 1 173 VAL -5.20 -2.33 1 174 ILE -0.28 0.44 1 177 TYR -5.70 -1.44 1 178 LYS -1.74 -1.67 1 179 THR -3.59 0.79 1 180 ILE -3.78 -0.39 1 184 ALA -1.50 -2.05 1 185 ARG -2.27 0.14 1 191 PHE -0.86 -3.04 1 192 GLU -1.87 -1.51 1 193 ASP 0.92 -0.33 1 197 GLU -3.95 -1.06 1 198 LEU -3.43 -2.22 1 199 GLU -1.92 -1.53 1 200 PHE -1.06 -0.03 1 202 ASN 2.19 0.71 1 204 GLU -0.82 1.21 1 205 ILE 0.77 -1.90 1 207 LYS -6.02 -1.91 1 208 THR -3.60 -0.80 1 210 SER -2.12 -0.97 1 211 VAL -4.05 -1.86 1 212 LYS 1.23 -2.33 1 214 ILE 0.74 -2.06 1 224 THR -4.11 0.09 1 226 PHE -5.61 -0.74 1 227 LEU -5.11 -3.22 1 228 GLU -6.56 0.27 1 229 ILE -2.34 -1.35 1 233 ARG -3.35 -1.87 1 235 VAL 1.43 -0.50 1 245 THR -0.27 -0.77 1 246 ILE 0.76 -0.22 1 247 THR -0.08 -0.38 1 256 LEU 0.83 0.33 1 266 ILE 2.96 1.13 1 269 MET 1.67 0.55 1 273 ILE -6.50 -0.91 1 274 LEU -0.44 0.35 1 276 GLU 2.98 0.18 1 277 HIS -3.29 0.39 1 279 LYS -2.17 -2.88 1 280 LEU -2.91 -3.16 1 281 GLU -1.94 -4.03 1 283 ILE 0.01 -1.43 1 284 ILE 0.39 -0.39 1 285 GLU -4.46 -0.97 1 286 GLU 0.26 -0.33 1 293 THR -0.26 -0.37 1 294 VAL 0.26 -1.34 1 stop_ save_