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 bmr18730_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.78 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 4.23 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 162 ILE -3.76 -6.96 0 10 HIS 0.20 1.66 1 12 SER -0.12 0.44 1 13 THR -0.50 -0.77 1 14 ASP 0.12 0.91 1 16 TRP -4.84 -0.94 1 17 ILE -5.13 -2.90 1 18 GLU -5.39 -2.26 1 19 ARG 4.64 2.10 1 20 THR -3.13 -1.39 1 21 ALA -3.39 -0.13 1 22 ASP -1.17 -0.57 1 23 ILE 2.66 1.09 1 24 SER -2.13 -0.61 1 25 TRP -1.38 -0.95 1 26 GLU -3.30 -2.12 1 27 SER 2.99 2.60 1 28 ASP 1.12 -0.42 1 29 ALA -0.49 -0.13 1 30 GLU -0.31 0.01 1 31 ILE -0.23 -0.87 1 32 THR -0.55 -0.99 1 34 SER -1.60 -0.50 1 35 SER -0.87 -1.41 1 36 GLU -2.47 -1.45 1 37 ARG -0.87 -0.64 1 38 VAL -4.10 -1.37 1 39 ASP 0.13 0.26 1 40 VAL -6.07 -2.02 1 41 ARG -3.58 -1.69 1 42 LEU -1.66 -1.07 1 43 ASP -1.67 -1.16 1 44 ASP 3.47 2.68 1 45 ASP -0.75 -0.31 1 47 ASN -2.40 -1.54 1 48 PHE 1.13 1.89 1 49 GLN -2.97 -2.49 1 77 TYR -1.90 -0.75 1 78 LYS 0.04 -0.52 1 79 LYS 2.00 0.95 1 81 ASP 1.22 1.23 1 83 THR 4.42 3.29 1 84 THR 2.15 2.35 1 86 VAL 0.34 0.33 1 87 TYR -4.71 -0.74 1 88 ARG -2.14 -0.70 1 90 MET -1.99 -3.77 1 91 THR -2.82 -2.40 1 92 ARG -0.59 0.09 1 94 LEU 3.46 2.94 1 95 LEU 0.50 -0.69 1 97 SER -1.33 -0.04 1 98 TYR -2.49 -1.33 1 102 ALA -4.56 -1.70 1 106 VAL -4.58 0.20 1 107 GLU 3.09 0.88 1 109 VAL -2.99 -1.11 1 110 PHE -1.10 -0.31 1 111 HIS -0.36 0.86 1 113 LEU -0.03 -0.75 1 115 HIS 6.83 4.86 1 116 THR 4.23 2.80 1 120 ALA 0.36 0.02 1 121 ALA 1.36 0.96 1 123 MET 2.55 -0.70 1 124 SER -1.40 -2.22 1 126 GLU 0.11 -0.09 1 128 ARG -5.04 -0.99 1 129 LEU -2.81 -1.40 1 133 TRP -2.55 -0.21 1 135 SER -4.86 -2.83 1 136 VAL 5.54 3.67 1 137 LYS 4.40 3.13 1 138 GLU -0.33 -0.56 1 139 ASP 1.06 0.30 1 140 ARG -3.76 0.25 1 141 LEU -3.17 0.32 1 147 TRP 1.92 2.45 1 148 LYS -3.14 -1.60 1 149 LEU 2.29 0.01 1 151 HIS -0.19 2.00 1 152 LYS -4.87 -2.01 1 153 TRP 1.41 -0.05 1 157 ASP -1.03 1.35 1 158 GLU 0.51 1.28 1 159 VAL -4.46 -3.21 1 160 GLN -3.49 -2.18 1 161 MET -3.71 -1.25 1 164 VAL 1.91 -2.62 1 168 LYS -4.94 -2.43 1 169 ASN 1.19 0.15 1 170 VAL 3.04 1.72 1 171 LYS -3.56 -1.55 1 172 ASN -0.62 -1.39 1 173 VAL -3.85 -1.97 1 174 GLN -3.85 -1.64 1 175 THR -1.78 -1.27 1 180 PHE -3.91 -5.72 1 181 LYS 1.42 -0.25 1 184 GLU 0.15 -0.12 1 186 GLU -1.86 -0.49 1 187 ILE -4.15 -0.72 1 189 ALA -3.27 -1.48 1 190 VAL -5.71 -4.48 1 191 THR 0.09 -2.22 1 192 LEU -4.61 -1.92 1 193 ASP -1.17 -0.38 1 199 SER 3.20 4.19 1 203 ILE -1.59 -2.05 1 204 VAL -6.78 -3.54 1 205 ASP -4.20 -2.50 1 206 LYS 4.09 1.53 1 207 ASN 0.35 0.11 1 209 ASP 0.29 0.11 1 210 VAL 2.79 1.02 1 211 ILE 0.90 -0.19 1 213 LEU -4.96 -1.61 1 214 TYR -3.65 0.48 1 216 ASN -0.48 0.49 1 218 VAL -5.96 -2.53 1 219 ILE 0.03 -1.44 1 222 ASN 1.51 -0.39 1 225 TYR -2.82 -0.66 1 227 SER -5.33 -2.78 1 228 ALA 1.66 1.26 1 229 ILE 4.67 1.47 1 230 VAL 4.74 3.40 1 231 GLN -4.99 -1.65 1 234 ARG 1.44 0.40 1 235 MET -2.14 -0.40 1 236 ASP -0.87 -0.06 1 241 ALA 0.50 0.32 1 243 PHE 0.11 0.05 1 246 GLU 0.38 0.22 1 247 MET 0.45 -0.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18730_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.78 _LACS_plot.Line_1_terminator_val_y_1 4.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -2.60 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 162 ILE -3.76 -3.20 0 10 HIS 0.20 1.46 1 12 SER -0.12 0.56 1 13 THR -0.50 -0.27 1 14 ASP 0.12 0.79 1 16 TRP -4.84 3.90 1 17 ILE -5.13 2.23 1 18 GLU -5.39 3.13 1 19 ARG 4.64 -2.54 1 20 THR -3.13 1.74 1 21 ALA -3.39 3.26 1 22 ASP -1.17 0.60 1 23 ILE 2.66 -1.57 1 24 SER -2.13 1.52 1 25 TRP -1.38 0.43 1 26 GLU -3.30 1.18 1 27 SER 2.99 -0.39 1 28 ASP 1.12 -1.54 1 29 ALA -0.49 0.36 1 30 GLU -0.31 0.32 1 31 ILE -0.23 -0.64 1 32 THR -0.55 -0.44 1 34 SER -1.60 1.10 1 35 SER -0.87 -0.54 1 36 GLU -2.47 1.02 1 37 ARG -0.87 0.23 1 38 VAL -4.10 2.73 1 39 ASP 0.13 0.13 1 40 VAL -6.07 4.05 1 41 ARG -3.58 1.89 1 42 LEU -1.66 0.59 1 43 ASP -1.67 0.51 1 44 ASP 3.47 -0.79 1 45 ASP -0.75 0.44 1 47 ASN -2.40 0.86 1 48 PHE 1.13 0.76 1 49 GLN -2.97 0.48 1 77 TYR -1.90 1.15 1 78 LYS 0.04 -0.56 1 79 LYS 2.00 -1.05 1 81 ASP 1.22 0.01 1 83 THR 4.42 -1.13 1 84 THR 2.15 0.20 1 86 VAL 0.34 -0.01 1 87 TYR -4.71 3.97 1 88 ARG -2.14 1.44 1 90 MET -1.99 -1.78 1 91 THR -2.82 0.42 1 92 ARG -0.59 0.68 1 94 LEU 3.46 -0.52 1 95 LEU 0.50 -1.19 1 97 SER -1.33 1.29 1 98 TYR -2.49 1.16 1 102 ALA -4.56 2.86 1 106 VAL -4.58 4.78 1 107 GLU 3.09 -2.21 1 109 VAL -2.99 1.88 1 110 PHE -1.10 0.79 1 111 HIS -0.36 1.22 1 113 LEU -0.03 -0.72 1 115 HIS 6.83 -1.97 1 116 THR 4.23 -1.43 1 120 ALA 0.36 -0.34 1 121 ALA 1.36 -0.40 1 123 MET 2.55 -3.25 1 124 SER -1.40 -0.82 1 126 GLU 0.11 -0.20 1 128 ARG -5.04 4.05 1 129 LEU -2.81 1.41 1 133 TRP -2.55 2.34 1 135 SER -4.86 2.03 1 136 VAL 5.54 -1.87 1 137 LYS 4.40 -1.27 1 138 GLU -0.33 -0.23 1 139 ASP 1.06 -0.76 1 140 ARG -3.76 4.01 1 141 LEU -3.17 3.49 1 147 TRP 1.92 0.53 1 148 LYS -3.14 1.54 1 149 LEU 2.29 -2.28 1 151 HIS -0.19 2.19 1 152 LYS -4.87 2.86 1 153 TRP 1.41 -1.46 1 157 ASP -1.03 2.38 1 158 GLU 0.51 0.77 1 159 VAL -4.46 1.25 1 160 GLN -3.49 1.31 1 161 MET -3.71 2.46 1 164 VAL 1.91 -4.53 1 168 LYS -4.94 2.51 1 169 ASN 1.19 -1.04 1 170 VAL 3.04 -1.32 1 171 LYS -3.56 2.01 1 172 ASN -0.62 -0.77 1 173 VAL -3.85 1.88 1 174 GLN -3.85 2.21 1 175 THR -1.78 0.51 1 180 PHE -3.91 -1.81 1 181 LYS 1.42 -1.67 1 184 GLU 0.15 -0.27 1 186 GLU -1.86 1.37 1 187 ILE -4.15 3.43 1 189 ALA -3.27 1.79 1 190 VAL -5.71 1.23 1 191 THR 0.09 -2.31 1 192 LEU -4.61 2.69 1 193 ASP -1.17 0.79 1 199 SER 3.20 0.99 1 203 ILE -1.59 -0.46 1 204 VAL -6.78 3.24 1 205 ASP -4.20 1.70 1 206 LYS 4.09 -2.56 1 207 ASN 0.35 -0.24 1 209 ASP 0.29 -0.18 1 210 VAL 2.79 -1.77 1 211 ILE 0.90 -1.09 1 213 LEU -4.96 3.35 1 214 TYR -3.65 4.13 1 216 ASN -0.48 0.97 1 218 VAL -5.96 3.43 1 219 ILE 0.03 -1.47 1 222 ASN 1.51 -1.90 1 225 TYR -2.82 2.16 1 227 SER -5.33 2.55 1 228 ALA 1.66 -0.40 1 229 ILE 4.67 -3.20 1 230 VAL 4.74 -1.34 1 231 GLN -4.99 3.34 1 234 ARG 1.44 -1.04 1 235 MET -2.14 1.74 1 236 ASP -0.87 0.81 1 241 ALA 0.50 -0.18 1 243 PHE 0.11 -0.06 1 246 GLU 0.38 -0.16 1 247 MET 0.45 -0.47 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18730_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.78 _LACS_plot.Line_1_terminator_val_y_1 -4.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.77 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _LACS_plot.Y_axis_chem_shift_offset 3.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 HIS 6.83 -0.67 0 205 ASP -4.20 -0.47 0 12 SER -0.12 -2.77 1 13 THR -0.50 -3.67 1 14 ASP 0.12 -3.37 1 16 TRP -4.84 -6.17 1 17 ILE -5.13 -3.57 1 18 GLU -5.39 -4.27 1 19 ARG 4.64 -2.77 1 20 THR -3.13 -4.87 1 21 ALA -3.39 -5.37 1 22 ASP -1.17 -3.67 1 23 ILE 2.66 -3.97 1 24 SER -2.13 -6.07 1 25 TRP -1.38 -2.77 1 26 GLU -3.30 -2.47 1 27 SER 2.99 -2.87 1 28 ASP 1.12 -4.07 1 29 ALA -0.49 -3.57 1 30 GLU -0.31 -4.67 1 31 ILE -0.23 -2.27 1 32 THR -0.55 -3.87 1 34 SER -1.60 -3.67 1 35 SER -0.87 -3.27 1 36 GLU -2.47 -4.37 1 37 ARG -0.87 -3.27 1 38 VAL -4.10 -4.97 1 39 ASP 0.13 -3.37 1 40 VAL -6.07 -6.07 1 41 ARG -3.58 -5.47 1 42 LEU -1.66 -4.07 1 44 ASP 3.47 -2.97 1 45 ASP -0.75 -2.97 1 47 ASN -2.40 -2.27 1 48 PHE 1.13 -2.27 1 49 GLN -2.97 -2.47 1 78 LYS 0.04 -3.87 1 79 LYS 2.00 -1.37 1 81 ASP 1.22 -1.27 1 83 THR 4.42 -1.47 1 84 THR 2.15 -2.67 1 86 VAL 0.34 -3.57 1 87 TYR -4.71 -3.37 1 88 ARG -2.14 -3.97 1 90 MET -1.99 -4.87 1 91 THR -2.82 -5.67 1 92 ARG -0.59 -3.07 1 94 LEU 3.46 -1.57 1 95 LEU 0.50 -3.37 1 97 SER -1.33 -3.37 1 98 TYR -2.49 -6.57 1 102 ALA -4.56 -5.97 1 107 GLU 3.09 -3.77 1 110 PHE -1.10 -4.17 1 111 HIS -0.36 -3.87 1 113 LEU -0.03 -2.57 1 116 THR 4.23 -1.07 1 120 ALA 0.36 -2.97 1 121 ALA 1.36 -4.97 1 123 MET 2.55 -3.27 1 124 SER -1.40 -1.67 1 126 GLU 0.11 -3.37 1 128 ARG -5.04 -3.57 1 129 LEU -2.81 -5.87 1 133 TRP -2.55 -0.87 1 135 SER -4.86 -2.77 1 136 VAL 5.54 -0.97 1 137 LYS 4.40 -4.47 1 138 GLU -0.33 -3.37 1 139 ASP 1.06 -4.27 1 140 ARG -3.76 -4.27 1 141 LEU -3.17 -6.97 1 147 TRP 1.92 -1.57 1 148 LYS -3.14 -0.97 1 151 HIS -0.19 -3.77 1 152 LYS -4.87 -2.17 1 153 TRP 1.41 -1.47 1 157 ASP -1.03 -1.67 1 158 GLU 0.51 -4.17 1 159 VAL -4.46 -4.67 1 160 GLN -3.49 -3.97 1 161 MET -3.71 -4.87 1 162 ILE -3.76 -4.87 1 168 LYS -4.94 -3.17 1 169 ASN 1.19 -1.27 1 170 VAL 3.04 -4.47 1 171 LYS -3.56 -6.87 1 172 ASN -0.62 -2.67 1 173 VAL -3.85 -6.17 1 174 GLN -3.85 -5.57 1 175 THR -1.78 -6.57 1 180 PHE -3.91 -3.47 1 181 LYS 1.42 -3.77 1 184 GLU 0.15 -3.37 1 186 GLU -1.86 -2.57 1 187 ILE -4.15 -3.77 1 189 ALA -3.27 -3.87 1 190 VAL -5.71 -3.87 1 191 THR 0.09 -3.27 1 192 LEU -4.61 -4.87 1 193 ASP -1.17 -3.67 1 199 SER 3.20 -4.87 1 203 ILE -1.59 -3.77 1 204 VAL -6.78 -3.87 1 206 LYS 4.09 -1.87 1 207 ASN 0.35 -2.07 1 209 ASP 0.29 -3.47 1 210 VAL 2.79 -2.47 1 211 ILE 0.90 -4.37 1 213 LEU -4.96 -5.07 1 214 TYR -3.65 -1.67 1 216 ASN -0.48 -2.87 1 218 VAL -5.96 -7.07 1 219 ILE 0.03 -1.97 1 222 ASN 1.51 -1.47 1 225 TYR -2.82 -4.67 1 227 SER -5.33 -2.27 1 228 ALA 1.66 -2.27 1 229 ILE 4.67 -3.67 1 230 VAL 4.74 -3.57 1 231 GLN -4.99 -4.17 1 234 ARG 1.44 -2.57 1 235 MET -2.14 -4.27 1 236 ASP -0.87 -3.27 1 241 ALA 0.50 -2.17 1 243 PHE 0.11 -3.37 1 246 GLU 0.38 -2.97 1 247 MET 0.45 -4.07 1 stop_ save_