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 bmr27441_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.44 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.88 _LACS_plot.Line_2_terminator_val_x_2 5.27 _LACS_plot.Line_2_terminator_val_y_2 3.04 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 201 PHE -0.21 3.18 0 12 VAL 1.90 -1.36 1 13 LEU -5.88 -2.43 1 14 LYS -3.38 -2.73 1 15 THR 3.01 1.86 1 17 GLN -0.18 0.48 1 18 SER -3.99 -2.28 1 19 MET -2.25 -0.38 1 20 THR -0.31 -0.18 1 21 LEU 0.88 -0.76 1 22 GLN -0.00 -1.02 1 24 ALA -6.27 -2.54 1 25 GLN -0.94 -2.06 1 26 ASP -1.32 -2.60 1 27 MET 1.34 -0.13 1 28 ASN 2.84 0.89 1 29 HIS -1.59 0.09 1 31 TYR -5.87 -1.11 1 32 MET -0.49 -2.03 1 36 ARG 4.32 2.58 1 37 GLN 1.21 -1.18 1 38 ASP -2.68 -2.25 1 41 MET -2.48 -0.83 1 43 LEU -0.65 -0.74 1 52 ALA 3.62 1.04 1 54 ILE -1.44 -0.64 1 55 THR -3.02 -1.60 1 56 ASP -4.26 -1.17 1 57 GLN -0.72 0.03 1 64 TYR -5.54 -2.40 1 65 ASN -4.93 -1.26 1 66 VAL -5.99 -3.50 1 67 SER -3.20 -1.39 1 68 ARG -1.05 -2.54 1 69 SER -0.75 -1.03 1 70 THR -5.70 -3.46 1 71 THR 4.51 3.29 1 72 GLU 3.11 3.29 1 73 ASP -4.23 -0.74 1 74 PHE -2.04 -1.95 1 76 LEU -0.88 -2.19 1 77 ARG -2.41 -1.84 1 78 LEU 1.77 -0.02 1 79 LEU 2.76 1.51 1 80 SER 0.48 -1.69 1 81 ALA 1.01 0.74 1 82 ALA 1.93 2.07 1 84 SER 3.03 1.65 1 85 GLN 2.08 0.29 1 86 THR 2.06 2.22 1 87 SER 2.44 0.00 1 92 ALA -3.89 -0.52 1 93 SER 2.41 2.73 1 98 ALA 3.14 0.60 1 101 ARG 1.58 0.19 1 105 TYR -6.24 -3.90 1 106 PHE -1.63 0.56 1 110 THR -3.18 -0.19 1 111 ARG 1.15 -0.50 1 113 THR 0.55 1.11 1 114 VAL -0.37 -1.29 1 118 LEU 4.89 1.89 1 119 LYS 5.23 1.75 1 120 ASN 0.89 0.22 1 121 VAL 3.18 0.92 1 122 PHE -5.56 -0.18 1 125 GLU -1.22 -1.10 1 126 VAL -2.61 -1.24 1 127 ALA -5.36 -1.93 1 128 VAL -3.16 -2.19 1 129 PHE -1.61 -1.34 1 130 GLU 0.42 -0.05 1 132 SER -2.22 -1.40 1 133 GLU 4.28 2.69 1 134 ALA 2.59 1.81 1 135 GLU 5.14 2.46 1 136 ILE 5.27 4.05 1 137 SER 3.48 2.60 1 141 LYS -3.76 -1.29 1 142 ALA -4.37 -2.45 1 143 THR 2.95 0.51 1 144 LEU -1.18 0.18 1 145 VAL -3.70 -2.30 1 147 LEU -5.59 -2.05 1 148 ALA -4.65 -3.75 1 149 THR -3.69 -1.88 1 152 TYR -6.40 -1.33 1 156 VAL -8.44 -4.95 1 157 GLU -4.44 -1.53 1 158 LEU -2.15 -0.31 1 159 SER -4.18 -1.29 1 160 TRP -3.56 -0.95 1 161 TRP -2.59 -2.03 1 162 VAL -1.71 -1.98 1 163 ASN 4.15 1.62 1 165 LYS -3.38 -2.05 1 166 GLU 1.95 -0.25 1 167 VAL 1.36 0.28 1 168 HIS 1.64 1.77 1 173 THR -1.79 -0.67 1 178 LEU -2.86 -1.62 1 179 LYS 0.93 0.23 1 180 GLU 2.19 1.75 1 181 GLN -0.67 -0.62 1 183 ALA 0.92 0.07 1 184 LEU -1.14 -1.42 1 185 ASN 2.94 2.14 1 186 ASP 1.15 -1.55 1 187 SER -0.52 -0.68 1 188 ARG 0.26 0.02 1 189 TYR -4.21 0.00 1 190 ALA -7.26 -2.30 1 191 LEU -5.92 -0.07 1 198 SER 0.64 0.28 1 199 ALA 3.97 2.80 1 200 THR 4.19 2.74 1 206 ARG 2.57 1.38 1 207 ASN 0.40 -0.23 1 208 HIS -4.79 -0.13 1 209 PHE -3.26 -1.64 1 210 ARG -5.01 -1.68 1 212 GLN -4.03 -1.69 1 213 VAL -0.57 -1.65 1 214 GLN -0.25 -0.86 1 215 PHE -4.89 -2.80 1 218 LEU 0.43 -0.63 1 219 SER -3.25 -1.53 1 221 ASN 1.04 0.51 1 222 ASP 0.40 1.12 1 223 GLU 0.18 -0.07 1 224 TRP -3.63 -0.65 1 225 THR -3.23 -0.04 1 227 ASP 2.58 1.04 1 228 ARG -0.77 -1.12 1 229 ALA 0.96 -0.22 1 230 LYS -0.20 -0.37 1 232 VAL -1.82 -2.05 1 233 THR 2.12 1.77 1 234 GLN -3.19 -1.11 1 235 ILE -0.95 -1.08 1 236 VAL -1.68 -1.22 1 237 SER -5.26 -1.93 1 238 ALA -4.20 -1.00 1 239 GLU -6.44 -2.63 1 240 ALA -4.27 -0.78 1 241 TRP -3.12 -0.84 1 243 ARG -2.55 -1.36 1 244 ALA -0.74 -0.76 1 245 ASP 0.43 1.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27441_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.44 _LACS_plot.Line_1_terminator_val_y_1 5.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 5.27 _LACS_plot.Line_2_terminator_val_y_2 -2.23 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 201 PHE -0.21 3.39 0 12 VAL 1.90 -3.26 1 13 LEU -5.88 3.45 1 14 LYS -3.38 0.65 1 15 THR 3.01 -1.15 1 17 GLN -0.18 0.66 1 18 SER -3.99 1.71 1 19 MET -2.25 1.87 1 20 THR -0.31 0.13 1 21 LEU 0.88 -1.64 1 22 GLN -0.00 -1.02 1 24 ALA -6.27 3.73 1 25 GLN -0.94 -1.12 1 26 ASP -1.32 -1.28 1 27 MET 1.34 -1.47 1 28 ASN 2.84 -1.95 1 29 HIS -1.59 1.68 1 31 TYR -5.87 4.76 1 32 MET -0.49 -1.54 1 36 ARG 4.32 -1.74 1 37 GLN 1.21 -2.39 1 38 ASP -2.68 0.43 1 41 MET -2.48 1.65 1 43 LEU -0.65 -0.09 1 52 ALA 3.62 -2.58 1 54 ILE -1.44 0.80 1 55 THR -3.02 1.42 1 56 ASP -4.26 3.09 1 57 GLN -0.72 0.75 1 64 TYR -5.54 3.14 1 65 ASN -4.93 3.67 1 66 VAL -5.99 2.49 1 67 SER -3.20 1.81 1 68 ARG -1.05 -1.49 1 69 SER -0.75 -0.28 1 70 THR -5.70 2.24 1 71 THR 4.51 -1.22 1 72 GLU 3.11 0.18 1 73 ASP -4.23 3.49 1 74 PHE -2.04 0.09 1 76 LEU -0.88 -1.31 1 77 ARG -2.41 0.57 1 78 LEU 1.77 -1.79 1 79 LEU 2.76 -1.25 1 80 SER 0.48 -2.17 1 81 ALA 1.01 -0.27 1 82 ALA 1.93 0.14 1 84 SER 3.03 -1.38 1 85 GLN 2.08 -1.79 1 86 THR 2.06 0.16 1 87 SER 2.44 -2.44 1 92 ALA -3.89 3.37 1 93 SER 2.41 0.32 1 98 ALA 3.14 -2.54 1 101 ARG 1.58 -1.39 1 105 TYR -6.24 2.34 1 106 PHE -1.63 2.19 1 110 THR -3.18 2.99 1 111 ARG 1.15 -1.65 1 113 THR 0.55 0.56 1 114 VAL -0.37 -0.92 1 118 LEU 4.89 -3.00 1 119 LYS 5.23 -3.48 1 120 ASN 0.89 -0.67 1 121 VAL 3.18 -2.26 1 122 PHE -5.56 5.38 1 125 GLU -1.22 0.12 1 126 VAL -2.61 1.37 1 127 ALA -5.36 3.43 1 128 VAL -3.16 0.97 1 129 PHE -1.61 0.27 1 130 GLU 0.42 -0.47 1 132 SER -2.22 0.82 1 133 GLU 4.28 -1.59 1 134 ALA 2.59 -0.78 1 135 GLU 5.14 -2.68 1 136 ILE 5.27 -1.22 1 137 SER 3.48 -0.88 1 141 LYS -3.76 2.47 1 142 ALA -4.37 1.92 1 143 THR 2.95 -2.44 1 144 LEU -1.18 1.36 1 145 VAL -3.70 1.40 1 147 LEU -5.59 3.54 1 148 ALA -4.65 0.90 1 149 THR -3.69 1.81 1 152 TYR -6.40 5.07 1 156 VAL -8.44 3.49 1 157 GLU -4.44 2.91 1 158 LEU -2.15 1.84 1 159 SER -4.18 2.89 1 160 TRP -3.56 2.61 1 161 TRP -2.59 0.56 1 162 VAL -1.71 -0.27 1 163 ASN 4.15 -2.53 1 165 LYS -3.38 1.33 1 166 GLU 1.95 -2.20 1 167 VAL 1.36 -1.08 1 168 HIS 1.64 0.13 1 173 THR -1.79 1.12 1 178 LEU -2.86 1.24 1 179 LYS 0.93 -0.70 1 180 GLU 2.19 -0.44 1 181 GLN -0.67 0.05 1 183 ALA 0.92 -0.85 1 184 LEU -1.14 -0.28 1 185 ASN 2.94 -0.80 1 186 ASP 1.15 -2.70 1 187 SER -0.52 -0.16 1 188 ARG 0.26 -0.24 1 189 TYR -4.21 4.21 1 190 ALA -7.26 4.96 1 191 LEU -5.92 5.85 1 198 SER 0.64 -0.36 1 199 ALA 3.97 -1.17 1 200 THR 4.19 -1.45 1 206 ARG 2.57 -1.19 1 207 ASN 0.40 -0.63 1 208 HIS -4.79 4.66 1 209 PHE -3.26 1.62 1 210 ARG -5.01 3.33 1 212 GLN -4.03 2.34 1 213 VAL -0.57 -1.08 1 214 GLN -0.25 -0.61 1 215 PHE -4.89 2.09 1 218 LEU 0.43 -1.06 1 219 SER -3.25 1.72 1 221 ASN 1.04 -0.53 1 222 ASP 0.40 0.72 1 223 GLU 0.18 -0.25 1 224 TRP -3.63 2.98 1 225 THR -3.23 3.19 1 227 ASP 2.58 -1.54 1 228 ARG -0.77 -0.35 1 229 ALA 0.96 -1.18 1 230 LYS -0.20 -0.17 1 232 VAL -1.82 -0.23 1 233 THR 2.12 -0.35 1 234 GLN -3.19 2.08 1 235 ILE -0.95 -0.13 1 236 VAL -1.68 0.46 1 237 SER -5.26 3.33 1 238 ALA -4.20 3.20 1 239 GLU -6.44 3.81 1 240 ALA -4.27 3.49 1 241 TRP -3.12 2.28 1 243 ARG -2.55 1.19 1 244 ALA -0.74 -0.02 1 245 ASP 0.43 0.58 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27441_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.44 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 5.27 _LACS_plot.Line_2_terminator_val_y_2 0.62 _LACS_plot.Y_axis_chem_shift_offset 0.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 152 TYR -6.40 4.95 0 12 VAL 1.90 -0.42 1 13 LEU -5.88 -3.09 1 14 LYS -3.38 0.02 1 15 THR 3.01 1.27 1 17 GLN -0.18 -1.07 1 18 SER -3.99 -0.55 1 19 MET -2.25 -3.13 1 20 THR -0.31 -1.83 1 21 LEU 0.88 -2.33 1 22 GLN -0.00 0.12 1 24 ALA -6.27 -2.08 1 25 GLN -0.94 -0.52 1 26 ASP -1.32 0.31 1 27 MET 1.34 -1.14 1 28 ASN 2.84 0.62 1 29 HIS -1.59 1.72 1 31 TYR -5.87 0.30 1 32 MET -0.49 -2.00 1 36 ARG 4.32 -2.29 1 37 GLN 1.21 -1.19 1 38 ASP -2.68 -0.21 1 41 MET -2.48 0.38 1 43 LEU -0.65 -1.13 1 52 ALA 3.62 0.94 1 54 ILE -1.44 -1.68 1 55 THR -3.02 -2.71 1 56 ASP -4.26 -2.17 1 57 GLN -0.72 0.93 1 64 TYR -5.54 0.09 1 65 ASN -4.93 -2.52 1 66 VAL -5.99 -1.51 1 67 SER -3.20 -3.26 1 68 ARG -1.05 -1.07 1 69 SER -0.75 0.04 1 70 THR -5.70 -1.28 1 71 THR 4.51 1.51 1 72 GLU 3.11 -1.24 1 73 ASP -4.23 0.13 1 74 PHE -2.04 0.70 1 76 LEU -0.88 -3.40 1 77 ARG -2.41 -0.58 1 78 LEU 1.77 -1.72 1 79 LEU 2.76 0.09 1 80 SER 0.48 -1.35 1 81 ALA 1.01 -0.27 1 82 ALA 1.93 -1.58 1 84 SER 3.03 0.89 1 85 GLN 2.08 0.94 1 86 THR 2.06 -1.23 1 87 SER 2.44 -0.79 1 92 ALA -3.89 -2.73 1 98 ALA 3.14 0.77 1 101 ARG 1.58 0.04 1 105 TYR -6.24 -0.67 1 106 PHE -1.63 -1.64 1 110 THR -3.18 -1.32 1 111 ARG 1.15 -3.92 1 113 THR 0.55 -2.60 1 114 VAL -0.37 0.18 1 118 LEU 4.89 -0.93 1 119 LYS 5.23 -0.67 1 120 ASN 0.89 -0.81 1 121 VAL 3.18 -0.58 1 122 PHE -5.56 -2.84 1 125 GLU -1.22 -0.59 1 126 VAL -2.61 -2.85 1 127 ALA -5.36 -3.39 1 128 VAL -3.16 -3.65 1 129 PHE -1.61 -1.04 1 130 GLU 0.42 -1.83 1 132 SER -2.22 2.16 1 133 GLU 4.28 2.03 1 135 GLU 5.14 -3.22 1 136 ILE 5.27 3.41 1 141 LYS -3.76 -1.29 1 142 ALA -4.37 -3.25 1 145 VAL -3.70 -2.80 1 147 LEU -5.59 -3.36 1 148 ALA -4.65 -1.52 1 149 THR -3.69 0.63 1 156 VAL -8.44 -0.91 1 157 GLU -4.44 -1.62 1 158 LEU -2.15 -1.83 1 159 SER -4.18 -2.91 1 160 TRP -3.56 -0.54 1 161 TRP -2.59 0.59 1 162 VAL -1.71 0.27 1 163 ASN 4.15 0.82 1 165 LYS -3.38 -2.47 1 166 GLU 1.95 0.27 1 167 VAL 1.36 0.72 1 168 HIS 1.64 3.21 1 173 THR -1.79 0.80 1 178 LEU -2.86 -0.73 1 179 LYS 0.93 -0.26 1 180 GLU 2.19 1.48 1 181 GLN -0.67 -2.73 1 183 ALA 0.92 0.07 1 184 LEU -1.14 0.56 1 185 ASN 2.94 -0.56 1 186 ASP 1.15 -2.71 1 187 SER -0.52 0.04 1 188 ARG 0.26 -0.27 1 189 TYR -4.21 -3.41 1 190 ALA -7.26 -1.71 1 191 LEU -5.92 -4.86 1 199 ALA 3.97 0.96 1 200 THR 4.19 0.88 1 201 PHE -0.21 1.93 1 206 ARG 2.57 -0.36 1 207 ASN 0.40 0.82 1 208 HIS -4.79 -0.93 1 209 PHE -3.26 -1.97 1 210 ARG -5.01 -2.69 1 212 GLN -4.03 -2.48 1 213 VAL -0.57 -1.59 1 214 GLN -0.25 -3.17 1 215 PHE -4.89 -2.46 1 218 LEU 0.43 -1.60 1 219 SER -3.25 0.92 1 221 ASN 1.04 0.52 1 222 ASP 0.40 -0.19 1 223 GLU 0.18 -0.88 1 224 TRP -3.63 -0.29 1 225 THR -3.23 0.86 1 227 ASP 2.58 0.50 1 228 ARG -0.77 -1.21 1 229 ALA 0.96 -0.45 1 230 LYS -0.20 2.57 1 232 VAL -1.82 -0.19 1 233 THR 2.12 -0.39 1 234 GLN -3.19 -3.87 1 235 ILE -0.95 -0.34 1 236 VAL -1.68 -1.89 1 237 SER -5.26 1.81 1 238 ALA -4.20 -2.75 1 239 GLU -6.44 -2.55 1 240 ALA -4.27 -2.94 1 241 TRP -3.12 -0.43 1 243 ARG -2.55 -1.88 1 244 ALA -0.74 -1.28 1 245 ASP 0.43 4.52 1 stop_ save_