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 bmr12000_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 -2.97 _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 -1.37 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 5.50 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 GLU -6.34 -0.45 0 13 ASN 2.33 0.96 1 15 LEU -0.99 -1.48 1 18 SER -4.80 -1.28 1 19 GLN 2.87 2.13 1 20 TYR -0.47 -0.80 1 22 TYR -3.54 -1.34 1 25 SER -3.18 -1.35 1 27 GLU 3.65 3.20 1 28 ALA 2.66 1.64 1 29 TYR -1.00 1.37 1 32 ALA 2.82 1.55 1 35 LYS -2.23 0.19 1 40 SER 1.43 1.08 1 41 SER 0.12 0.06 1 42 SER -0.20 -0.20 1 43 SER 0.16 0.29 1 46 SER 0.00 -0.16 1 47 THR 0.27 0.07 1 49 THR -1.28 -0.86 1 51 VAL 5.22 3.57 1 53 SER 2.07 1.79 1 54 ILE -0.08 1.17 1 55 VAL -0.65 -1.60 1 56 SER -2.48 -1.30 1 57 SER 1.81 3.27 1 58 ASP 3.70 2.93 1 59 VAL 4.94 3.99 1 61 ASN 4.05 2.72 1 62 SER 3.64 2.63 1 63 ILE 4.12 3.30 1 64 VAL 1.34 0.08 1 67 ALA 0.24 -0.14 1 68 ALA -1.58 -0.61 1 69 SER 3.26 2.09 1 72 ALA 2.76 2.18 1 76 PHE -0.94 1.75 1 77 TYR 1.31 -1.16 1 78 THR -3.27 -1.82 1 79 TYR 3.03 2.46 1 80 ASP 3.77 2.65 1 81 SER 4.14 3.29 1 82 PHE 4.29 3.22 1 83 ILE 4.01 -0.17 1 84 SER 4.20 3.40 1 85 ALA 1.21 2.63 1 86 ALA 3.86 2.74 1 87 ASN 2.15 0.98 1 88 ALA 0.55 0.15 1 89 PHE -2.47 -1.48 1 90 ASN 2.73 2.17 1 92 PHE 3.68 1.79 1 104 GLU 6.84 4.47 1 105 ILE 4.61 1.82 1 106 ALA 2.78 3.82 1 107 ALA 2.43 2.86 1 108 PHE 4.62 3.32 1 109 PHE 6.17 5.38 1 111 ASN 4.43 4.91 1 112 ALA 2.21 1.44 1 113 ALA 4.62 2.12 1 114 HIS 3.46 5.97 1 115 GLN 2.61 2.71 1 116 THR -1.85 -1.29 1 119 PHE 7.47 2.30 1 121 TYR -3.09 -2.15 1 122 ILE 5.17 1.60 1 123 GLU -5.65 -2.75 1 124 GLU -1.50 -0.19 1 125 GLN -1.43 -1.11 1 126 ASN 3.71 3.51 1 128 THR -0.17 -0.82 1 129 SER -3.25 -2.70 1 131 TYR 4.99 0.68 1 133 ASP -0.29 -1.46 1 134 ALA 1.63 0.99 1 135 SER 1.24 1.06 1 136 ASN 0.52 0.64 1 137 THR 1.75 0.66 1 138 GLN 2.84 2.06 1 139 TYR -2.66 -2.01 1 142 ALA -2.11 -1.21 1 143 SER 2.75 1.60 1 145 LYS -3.76 -4.03 1 146 THR -4.53 -3.39 1 147 TYR 2.36 0.20 1 153 LEU -1.09 -3.08 1 154 GLN 0.67 -1.09 1 155 LEU 1.49 1.50 1 156 SER -3.45 -0.29 1 157 TRP 5.87 3.04 1 158 ASN 7.18 4.42 1 159 TYR 0.85 -0.79 1 160 ASN 4.00 2.10 1 161 TYR 6.45 5.35 1 163 ALA 2.83 2.63 1 164 ALA 4.04 2.08 1 166 SER 3.51 2.65 1 167 TYR 2.41 3.24 1 168 ILE 0.81 1.17 1 169 GLN 6.35 1.69 1 170 PHE -3.11 -1.66 1 171 ASP -0.16 -2.18 1 173 LEU 1.20 0.74 1 174 ASN 0.40 0.49 1 175 ASN -0.73 0.22 1 177 GLU 4.61 2.52 1 178 ILE 2.77 2.16 1 179 VAL 4.28 2.86 1 181 THR 0.19 0.84 1 182 ASP -3.42 -1.39 1 185 ILE 6.78 4.02 1 186 SER 3.86 6.28 1 187 PHE 6.55 6.47 1 188 LYS 5.81 6.18 1 189 THR 5.34 4.94 1 190 ALA 1.55 2.08 1 191 VAL 7.63 4.50 1 192 TRP 5.57 4.43 1 193 PHE 4.95 4.60 1 194 TRP 1.95 3.02 1 195 MET -0.60 -0.78 1 197 ASN -2.74 -0.45 1 198 SER -4.20 -1.28 1 199 ASN -1.03 -0.91 1 201 HIS 3.37 3.84 1 202 THR 6.15 4.35 1 203 ALA 3.95 3.11 1 204 ILE -1.25 -1.75 1 205 THR 2.84 2.08 1 206 SER -0.25 0.14 1 208 GLN 2.44 1.87 1 210 PHE 3.99 4.34 1 212 ALA 0.92 1.15 1 213 THR 4.23 2.71 1 214 ILE 6.78 4.42 1 215 ARG 3.81 3.40 1 216 ALA -0.25 1.06 1 217 ILE 2.95 3.57 1 218 ASN 0.62 -0.98 1 221 GLU 0.93 1.08 1 223 ASP 2.71 1.04 1 226 ASN 0.18 -0.03 1 227 ALA 3.45 2.62 1 228 ALA 3.38 2.60 1 229 THR 6.76 3.41 1 230 VAL 7.00 5.85 1 231 ALA 3.92 2.51 1 232 SER 4.03 2.04 1 233 ARG 5.46 4.98 1 234 VAL 5.93 4.66 1 235 ASN 4.14 3.36 1 236 TYR 5.45 4.61 1 237 TYR 5.23 3.81 1 238 GLN 5.12 4.08 1 239 LYS 4.35 3.18 1 240 PHE 2.63 -0.92 1 242 GLN 5.38 3.55 1 243 GLN 3.49 2.84 1 244 LEU 0.01 -0.14 1 245 ASN 2.49 0.54 1 246 VAL -6.34 -3.07 1 247 ASP -0.81 -0.25 1 248 THR 0.81 1.26 1 250 SER -2.20 -1.36 1 251 ASN 3.13 1.33 1 252 LEU 3.47 3.06 1 253 GLN -1.22 -1.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr12000_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.34 _LACS_plot.Line_1_terminator_val_y_1 3.37 _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 0.63 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 -2.13 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 GLU -6.34 5.89 0 13 ASN 2.33 -1.37 1 15 LEU -0.99 -0.49 1 18 SER -4.80 3.52 1 19 GLN 2.87 -0.74 1 20 TYR -0.47 -0.33 1 22 TYR -3.54 2.20 1 25 SER -3.18 1.83 1 27 GLU 3.65 -0.45 1 28 ALA 2.66 -1.02 1 29 TYR -1.00 2.37 1 32 ALA 2.82 -1.27 1 35 LYS -2.23 2.42 1 40 SER 1.43 -0.35 1 41 SER 0.12 -0.06 1 42 SER -0.20 0.00 1 43 SER 0.16 0.13 1 46 SER 0.00 -0.16 1 47 THR 0.27 -0.20 1 49 THR -1.28 0.42 1 51 VAL 5.22 -1.65 1 53 SER 2.07 -0.28 1 54 ILE -0.08 1.25 1 55 VAL -0.65 -0.95 1 56 SER -2.48 1.18 1 57 SER 1.81 1.46 1 58 ASP 3.70 -0.77 1 59 VAL 4.94 -0.95 1 61 ASN 4.05 -1.33 1 62 SER 3.64 -1.01 1 63 ILE 4.12 -0.82 1 64 VAL 1.34 -1.26 1 67 ALA 0.24 -0.38 1 68 ALA -1.58 0.97 1 69 SER 3.26 -1.17 1 72 ALA 2.76 -0.58 1 76 PHE -0.94 2.69 1 77 TYR 1.31 -2.47 1 78 THR -3.27 1.45 1 79 TYR 3.03 -0.57 1 80 ASP 3.77 -1.12 1 81 SER 4.14 -0.85 1 82 PHE 4.29 -1.07 1 83 ILE 4.01 -4.18 1 84 SER 4.20 -0.80 1 85 ALA 1.21 1.42 1 86 ALA 3.86 -1.12 1 87 ASN 2.15 -1.17 1 88 ALA 0.55 -0.40 1 89 PHE -2.47 0.99 1 90 ASN 2.73 -0.56 1 92 PHE 3.68 -1.89 1 104 GLU 6.84 -2.37 1 105 ILE 4.61 -2.79 1 106 ALA 2.78 1.04 1 107 ALA 2.43 0.43 1 108 PHE 4.62 -1.30 1 109 PHE 6.17 -0.79 1 111 ASN 4.43 0.48 1 112 ALA 2.21 -0.77 1 113 ALA 4.62 -2.50 1 114 HIS 3.46 2.51 1 115 GLN 2.61 0.10 1 116 THR -1.85 0.56 1 119 PHE 7.47 -5.17 1 121 TYR -3.09 0.94 1 122 ILE 5.17 -3.57 1 123 GLU -5.65 2.90 1 124 GLU -1.50 1.31 1 125 GLN -1.43 0.32 1 126 ASN 3.71 -0.20 1 128 THR -0.17 -0.65 1 129 SER -3.25 0.55 1 131 TYR 4.99 -4.31 1 133 ASP -0.29 -1.17 1 134 ALA 1.63 -0.64 1 135 SER 1.24 -0.18 1 136 ASN 0.52 0.12 1 137 THR 1.75 -1.09 1 138 GLN 2.84 -0.78 1 139 TYR -2.66 0.65 1 142 ALA -2.11 0.90 1 143 SER 2.75 -1.15 1 145 LYS -3.76 -0.27 1 146 THR -4.53 1.14 1 147 TYR 2.36 -2.16 1 153 LEU -1.09 -1.99 1 154 GLN 0.67 -1.76 1 155 LEU 1.49 0.01 1 156 SER -3.45 3.16 1 157 TRP 5.87 -2.83 1 158 ASN 7.18 -2.76 1 159 TYR 0.85 -1.64 1 160 ASN 4.00 -1.90 1 161 TYR 6.45 -1.10 1 163 ALA 2.83 -0.20 1 164 ALA 4.04 -1.96 1 166 SER 3.51 -0.86 1 167 TYR 2.41 0.83 1 168 ILE 0.81 0.36 1 169 GLN 6.35 -4.66 1 170 PHE -3.11 1.45 1 171 ASP -0.16 -2.02 1 173 LEU 1.20 -0.46 1 174 ASN 0.40 0.09 1 175 ASN -0.73 0.95 1 177 GLU 4.61 -2.09 1 178 ILE 2.77 -0.61 1 179 VAL 4.28 -1.42 1 181 THR 0.19 0.65 1 182 ASP -3.42 2.03 1 185 ILE 6.78 -2.76 1 186 SER 3.86 2.42 1 187 PHE 6.55 -0.08 1 188 LYS 5.81 0.37 1 189 THR 5.34 -0.40 1 190 ALA 1.55 0.53 1 191 VAL 7.63 -3.13 1 192 TRP 5.57 -1.14 1 193 PHE 4.95 -0.35 1 194 TRP 1.95 1.07 1 195 MET -0.60 -0.18 1 197 ASN -2.74 2.29 1 198 SER -4.20 2.92 1 199 ASN -1.03 0.12 1 201 HIS 3.37 0.47 1 202 THR 6.15 -1.80 1 203 ALA 3.95 -0.84 1 204 ILE -1.25 -0.50 1 205 THR 2.84 -0.76 1 206 SER -0.25 0.39 1 208 GLN 2.44 -0.57 1 210 PHE 3.99 0.35 1 212 ALA 0.92 0.23 1 213 THR 4.23 -1.52 1 214 ILE 6.78 -2.36 1 215 ARG 3.81 -0.41 1 216 ALA -0.25 1.31 1 217 ILE 2.95 0.62 1 218 ASN 0.62 -1.60 1 221 GLU 0.93 0.15 1 223 ASP 2.71 -1.67 1 226 ASN 0.18 -0.21 1 227 ALA 3.45 -0.83 1 228 ALA 3.38 -0.78 1 229 THR 6.76 -3.35 1 230 VAL 7.00 -1.15 1 231 ALA 3.92 -1.41 1 232 SER 4.03 -1.99 1 233 ARG 5.46 -0.48 1 234 VAL 5.93 -1.27 1 235 ASN 4.14 -0.78 1 236 TYR 5.45 -0.84 1 237 TYR 5.23 -1.42 1 238 GLN 5.12 -1.04 1 239 LYS 4.35 -1.17 1 240 PHE 2.63 -3.55 1 242 GLN 5.38 -1.83 1 243 GLN 3.49 -0.65 1 244 LEU 0.01 -0.15 1 245 ASN 2.49 -1.95 1 246 VAL -6.34 3.27 1 247 ASP -0.81 0.56 1 248 THR 0.81 0.45 1 250 SER -2.20 0.84 1 251 ASN 3.13 -1.80 1 252 LEU 3.47 -0.41 1 253 GLN -1.22 0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr12000_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.34 _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 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.68 _LACS_plot.Line_2_terminator_val_x_2 7.63 _LACS_plot.Line_2_terminator_val_y_2 2.11 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 248 THR 0.81 4.33 0 246 VAL -6.34 -3.81 0 119 PHE 7.47 -1.80 0 131 TYR 4.99 -3.21 0 13 ASN 2.33 -0.99 1 15 LEU -0.99 -0.74 1 18 SER -4.80 0.39 1 19 GLN 2.87 -0.15 1 20 TYR -0.47 -0.54 1 22 TYR -3.54 -0.76 1 25 SER -3.18 -1.12 1 27 GLU 3.65 1.79 1 28 ALA 2.66 -0.84 1 29 TYR -1.00 -1.52 1 32 ALA 2.82 1.19 1 35 LYS -2.23 -0.66 1 36 GLU -6.34 -2.47 1 40 SER 1.43 0.40 1 41 SER 0.12 -0.25 1 42 SER -0.20 -0.57 1 43 SER 0.16 -1.38 1 46 SER 0.00 0.33 1 47 THR 0.27 0.27 1 49 THR -1.28 0.09 1 51 VAL 5.22 1.29 1 53 SER 2.07 0.23 1 54 ILE -0.08 -0.91 1 55 VAL -0.65 -2.74 1 56 SER -2.48 -0.13 1 57 SER 1.81 1.72 1 58 ASP 3.70 2.57 1 59 VAL 4.94 1.63 1 61 ASN 4.05 2.81 1 62 SER 3.64 0.43 1 63 ILE 4.12 -1.02 1 64 VAL 1.34 0.67 1 67 ALA 0.24 -0.69 1 68 ALA -1.58 0.25 1 69 SER 3.26 1.32 1 72 ALA 2.76 0.86 1 76 PHE -0.94 -0.44 1 77 TYR 1.31 -1.49 1 78 THR -3.27 0.29 1 79 TYR 3.03 0.56 1 80 ASP 3.77 2.62 1 81 SER 4.14 0.46 1 82 PHE 4.29 -0.29 1 83 ILE 4.01 1.56 1 84 SER 4.20 2.38 1 85 ALA 1.21 0.33 1 86 ALA 3.86 2.87 1 87 ASN 2.15 0.67 1 88 ALA 0.55 -1.68 1 89 PHE -2.47 -2.29 1 90 ASN 2.73 1.17 1 92 PHE 3.68 -0.76 1 104 GLU 6.84 0.58 1 105 ILE 4.61 1.51 1 106 ALA 2.78 1.69 1 107 ALA 2.43 1.65 1 108 PHE 4.62 0.61 1 109 PHE 6.17 2.27 1 111 ASN 4.43 0.83 1 112 ALA 2.21 1.67 1 113 ALA 4.62 1.71 1 114 HIS 3.46 4.69 1 115 GLN 2.61 -0.45 1 116 THR -1.85 0.80 1 121 TYR -3.09 -0.69 1 122 ILE 5.17 -0.19 1 123 GLU -5.65 -2.33 1 124 GLU -1.50 -1.85 1 125 GLN -1.43 -0.62 1 126 ASN 3.71 -2.07 1 128 THR -0.17 -1.21 1 129 SER -3.25 -0.20 1 133 ASP -0.29 0.86 1 134 ALA 1.63 -0.04 1 135 SER 1.24 -0.57 1 136 ASN 0.52 0.22 1 137 THR 1.75 0.34 1 138 GLN 2.84 -0.32 1 142 ALA -2.11 0.65 1 143 SER 2.75 1.71 1 145 LYS -3.76 -0.26 1 146 THR -4.53 -1.49 1 147 TYR 2.36 -0.26 1 153 LEU -1.09 -2.22 1 154 GLN 0.67 -1.95 1 155 LEU 1.49 -2.34 1 156 SER -3.45 -1.10 1 157 TRP 5.87 2.20 1 158 ASN 7.18 0.17 1 159 TYR 0.85 0.85 1 160 ASN 4.00 1.98 1 161 TYR 6.45 3.26 1 163 ALA 2.83 2.13 1 164 ALA 4.04 1.31 1 166 SER 3.51 0.71 1 167 TYR 2.41 1.50 1 168 ILE 0.81 -1.94 1 169 GLN 6.35 -1.62 1 170 PHE -3.11 -2.65 1 171 ASP -0.16 -0.42 1 173 LEU 1.20 1.75 1 174 ASN 0.40 -0.66 1 175 ASN -0.73 -2.01 1 177 GLU 4.61 2.78 1 178 ILE 2.77 0.60 1 179 VAL 4.28 -1.10 1 181 THR 0.19 -1.22 1 182 ASP -3.42 -0.80 1 185 ILE 6.78 1.72 1 186 SER 3.86 3.53 1 187 PHE 6.55 3.03 1 188 LYS 5.81 2.26 1 189 THR 5.34 1.53 1 190 ALA 1.55 0.28 1 191 VAL 7.63 0.56 1 192 TRP 5.57 1.90 1 193 PHE 4.95 0.36 1 194 TRP 1.95 -2.15 1 195 MET -0.60 1.16 1 197 ASN -2.74 -2.74 1 198 SER -4.20 -1.84 1 199 ASN -1.03 0.26 1 201 HIS 3.37 4.37 1 202 THR 6.15 1.38 1 203 ALA 3.95 1.41 1 204 ILE -1.25 2.13 1 205 THR 2.84 1.02 1 206 SER -0.25 0.59 1 208 GLN 2.44 1.12 1 210 PHE 3.99 2.73 1 212 ALA 0.92 3.32 1 213 THR 4.23 -0.23 1 214 ILE 6.78 1.68 1 215 ARG 3.81 0.40 1 216 ALA -0.25 0.73 1 217 ILE 2.95 -0.14 1 218 ASN 0.62 -1.32 1 221 GLU 0.93 1.43 1 223 ASP 2.71 0.26 1 226 ASN 0.18 -2.42 1 227 ALA 3.45 2.64 1 228 ALA 3.38 3.57 1 229 THR 6.76 2.95 1 230 VAL 7.00 0.82 1 231 ALA 3.92 2.08 1 232 SER 4.03 2.43 1 233 ARG 5.46 1.83 1 234 VAL 5.93 0.97 1 235 ASN 4.14 3.81 1 236 TYR 5.45 0.05 1 237 TYR 5.23 1.76 1 238 GLN 5.12 2.89 1 239 LYS 4.35 2.95 1 240 PHE 2.63 3.00 1 242 GLN 5.38 4.00 1 243 GLN 3.49 1.41 1 244 LEU 0.01 -2.66 1 245 ASN 2.49 -2.26 1 247 ASP -0.81 0.92 1 250 SER -2.20 -0.64 1 251 ASN 3.13 0.03 1 252 LEU 3.47 -3.22 1 253 GLN -1.22 0.07 1 stop_ save_