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 bmr5736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 -3.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 5.79 _LACS_plot.Y_axis_chem_shift_offset -0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 LYS 2.04 8.00 0 12 PHE 0.20 -0.33 1 13 LEU -5.04 -1.30 1 14 LYS -0.84 -0.61 1 15 SER 1.09 -0.53 1 16 PHE 3.01 2.01 1 22 ALA 0.62 0.52 1 23 GLU 2.61 2.24 1 25 LEU 5.94 7.09 1 26 ARG -2.29 0.45 1 27 GLN -3.97 -0.43 1 28 GLN 2.36 0.39 1 31 GLU 0.61 0.67 1 32 THR -2.11 -0.59 1 33 GLU -2.43 -2.09 1 34 ALA -2.91 -1.52 1 35 VAL -3.91 -2.34 1 36 LEU 2.86 0.87 1 37 ASN -1.87 -1.39 1 39 LYS -1.31 -0.56 1 41 LEU 0.74 1.10 1 43 THR -1.77 -0.90 1 45 THR -5.39 -1.94 1 46 LEU -1.06 -0.42 1 47 TYR 1.74 0.55 1 48 ILE -5.99 -3.31 1 49 ALA 4.16 3.80 1 50 GLU 2.91 2.38 1 51 SER -0.24 -0.84 1 52 ARG -2.87 -0.98 1 53 LEU -3.47 -0.16 1 54 SER -3.67 -0.80 1 55 TRP -7.70 -1.54 1 56 LEU -1.68 -1.72 1 57 ASP -0.88 -0.23 1 59 SER -3.99 -2.03 1 61 LEU -3.79 -1.36 1 63 PHE -4.25 -1.43 1 64 SER -4.85 -2.38 1 65 LEU -2.49 -1.75 1 66 GLU -4.67 -2.23 1 67 TYR 0.12 0.33 1 69 THR 1.60 1.16 1 70 ILE 0.32 0.87 1 71 SER -2.70 0.96 1 72 LEU -5.62 0.34 1 73 HIS -4.03 -0.19 1 74 ALA -2.89 -5.32 1 75 VAL 0.25 0.16 1 76 SER -1.35 0.69 1 77 ARG -0.29 -0.66 1 78 ASP 3.06 0.48 1 79 LEU 2.03 1.82 1 80 ASN 0.81 1.15 1 81 ALA -2.03 1.38 1 82 TYR -6.40 -1.38 1 84 ARG 2.35 1.74 1 85 GLU -1.71 1.42 1 86 HIS -3.82 -1.04 1 87 LEU -3.09 -0.95 1 88 TYR -4.19 -0.68 1 89 VAL -1.51 -1.68 1 90 MET -4.69 -1.64 1 91 VAL 0.04 -0.63 1 92 ASN -2.55 -0.38 1 93 ALA -0.68 -0.25 1 94 LYS -1.14 0.15 1 95 PHE 4.38 6.64 1 98 GLU -1.51 -1.61 1 99 SER 0.83 -1.64 1 101 GLU -0.02 0.10 1 102 SER -0.09 -0.17 1 103 VAL 0.15 0.26 1 104 ALA -0.30 -0.16 1 113 VAL -2.33 -2.25 1 114 GLU -3.26 -0.97 1 116 ILE -4.03 -1.44 1 117 ALA -4.23 -1.45 1 118 GLU -3.68 -1.04 1 119 PHE -3.09 -1.80 1 120 ARG -2.31 -1.29 1 121 PHE -1.22 -0.91 1 122 VAL 7.70 5.02 1 124 SER -1.53 -2.32 1 125 ASP 3.42 2.10 1 126 LYS 3.34 2.66 1 127 SER 0.05 0.59 1 128 ALA 4.38 3.85 1 129 LEU 5.62 4.28 1 130 GLU 3.92 2.89 1 131 ALA 1.30 4.04 1 132 MET 4.43 4.67 1 133 PHE 6.66 5.74 1 134 THR 3.54 2.90 1 135 ALA 5.36 4.41 1 136 MET 2.94 2.76 1 138 GLU 4.05 3.36 1 140 GLN 1.49 0.84 1 141 ALA 0.64 0.03 1 142 LEU -0.79 0.35 1 143 HIS -0.45 0.09 1 147 GLU -0.44 -0.04 1 155 ASP -0.03 0.54 1 157 GLU 0.05 0.34 1 162 GLU 0.35 0.44 1 163 ALA 0.39 0.55 1 166 GLN 1.11 1.83 1 168 GLN -0.11 0.46 1 170 ASP 0.18 0.14 1 171 ILE 0.06 0.60 1 173 THR -0.55 0.02 1 174 PHE -0.59 0.25 1 175 TYR -0.76 0.03 1 176 THR 0.67 0.93 1 177 TYR 0.18 0.56 1 178 GLU -0.19 0.06 1 179 GLU 0.41 0.74 1 181 LEU 0.85 0.64 1 182 SER 0.56 1.42 1 183 HIS 0.23 0.64 1 184 LEU -0.77 0.15 1 185 THR 0.92 1.14 1 186 ALA 0.92 1.24 1 187 GLU 0.88 1.12 1 189 GLN 0.93 1.10 1 190 ALA 1.14 1.39 1 191 THR 1.32 1.10 1 192 LEU 1.00 0.90 1 194 ARG 0.16 0.25 1 195 LEU 0.73 1.24 1 196 GLU 0.63 0.82 1 203 VAL 0.52 0.40 1 204 SER -0.10 0.32 1 205 SER -0.23 1.35 1 206 GLN 0.37 0.66 1 208 ASN 1.06 0.78 1 209 MET 0.36 0.69 1 210 ALA 0.07 0.43 1 212 VAL -0.09 0.33 1 213 ARG 0.15 0.63 1 214 THR 0.04 0.34 1 215 GLU 0.06 0.60 1 216 ASP 0.41 0.83 1 217 SER 0.98 0.68 1 218 THR -0.02 0.07 1 219 ARG 0.24 0.67 1 220 ASP -0.09 0.41 1 221 TYR -0.81 -0.11 1 222 GLU 0.37 0.95 1 223 ASP 0.35 0.47 1 225 MET -0.17 0.38 1 226 GLU -0.39 0.24 1 227 VAL -0.12 0.40 1 228 ASP -0.23 0.07 1 229 THR 1.14 0.91 1 230 THR 0.37 0.81 1 232 THR -0.23 0.20 1 233 VAL 0.07 0.55 1 234 ALA 0.37 0.84 1 236 GLN 0.15 0.34 1 237 PHE -0.54 0.40 1 238 GLU 0.00 0.48 1 239 ASP -0.26 0.51 1 240 ALA 0.12 0.47 1 241 ASP -0.39 0.09 1 242 VAL 0.20 0.67 1 243 ASP 0.87 2.23 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 4.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.96 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 -1.91 _LACS_plot.Y_axis_chem_shift_offset -0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 LYS 2.04 5.96 0 12 PHE 0.20 -0.53 1 13 LEU -5.04 3.74 1 14 LYS -0.84 0.23 1 15 SER 1.09 -1.62 1 16 PHE 3.01 -1.00 1 22 ALA 0.62 -0.10 1 23 GLU 2.61 -0.37 1 25 LEU 5.94 1.15 1 26 ARG -2.29 2.74 1 27 GLN -3.97 3.54 1 28 GLN 2.36 -1.97 1 31 GLU 0.61 0.06 1 32 THR -2.11 1.52 1 33 GLU -2.43 0.34 1 34 ALA -2.91 1.39 1 35 VAL -3.91 1.57 1 36 LEU 2.86 -1.99 1 37 ASN -1.87 0.48 1 39 LYS -1.31 0.75 1 41 LEU 0.74 0.36 1 43 THR -1.77 0.87 1 45 THR -5.39 3.45 1 46 LEU -1.06 0.64 1 47 TYR 1.74 -1.19 1 48 ILE -5.99 2.68 1 49 ALA 4.16 -0.36 1 50 GLU 2.91 -0.53 1 51 SER -0.24 -0.60 1 52 ARG -2.87 1.89 1 53 LEU -3.47 3.31 1 54 SER -3.67 2.87 1 55 TRP -7.70 6.16 1 56 LEU -1.68 -0.04 1 57 ASP -0.88 0.65 1 59 SER -3.99 1.96 1 61 LEU -3.79 2.43 1 63 PHE -4.25 2.82 1 64 SER -4.85 2.47 1 65 LEU -2.49 0.74 1 66 GLU -4.67 2.44 1 67 TYR 0.12 0.21 1 69 THR 1.60 -0.44 1 70 ILE 0.32 0.55 1 71 SER -2.70 3.66 1 72 LEU -5.62 5.96 1 73 HIS -4.03 3.84 1 74 ALA -2.89 -2.43 1 75 VAL 0.25 -0.09 1 76 SER -1.35 2.04 1 77 ARG -0.29 -0.37 1 78 ASP 3.06 -2.58 1 79 LEU 2.03 -0.21 1 80 ASN 0.81 0.34 1 81 ALA -2.03 3.41 1 82 TYR -6.40 5.02 1 84 ARG 2.35 -0.61 1 85 GLU -1.71 3.13 1 86 HIS -3.82 2.78 1 87 LEU -3.09 2.14 1 88 TYR -4.19 3.51 1 89 VAL -1.51 -0.17 1 90 MET -4.69 3.05 1 91 VAL 0.04 -0.67 1 92 ASN -2.55 2.17 1 93 ALA -0.68 0.43 1 94 LYS -1.14 1.29 1 95 PHE 4.38 2.26 1 98 GLU -1.51 -0.10 1 99 SER 0.83 -2.47 1 101 GLU -0.02 0.12 1 102 SER -0.09 -0.08 1 103 VAL 0.15 0.11 1 104 ALA -0.30 0.14 1 113 VAL -2.33 0.08 1 114 GLU -3.26 2.29 1 116 ILE -4.03 2.59 1 117 ALA -4.23 2.78 1 118 GLU -3.68 2.64 1 119 PHE -3.09 1.29 1 120 ARG -2.31 1.02 1 121 PHE -1.22 0.31 1 122 VAL 7.70 -2.68 1 124 SER -1.53 -0.79 1 125 ASP 3.42 -1.32 1 126 LYS 3.34 -0.68 1 127 SER 0.05 0.54 1 128 ALA 4.38 -0.53 1 129 LEU 5.62 -1.34 1 130 GLU 3.92 -1.03 1 131 ALA 1.30 2.74 1 132 MET 4.43 0.24 1 133 PHE 6.66 -0.92 1 134 THR 3.54 -0.64 1 135 ALA 5.36 -0.95 1 136 MET 2.94 -0.18 1 138 GLU 4.05 -0.69 1 140 GLN 1.49 -0.65 1 141 ALA 0.64 -0.61 1 142 LEU -0.79 1.14 1 143 HIS -0.45 0.54 1 147 GLU -0.44 0.40 1 155 ASP -0.03 0.57 1 157 GLU 0.05 0.29 1 162 GLU 0.35 0.09 1 163 ALA 0.39 0.16 1 166 GLN 1.11 0.72 1 168 GLN -0.11 0.57 1 170 ASP 0.18 -0.04 1 171 ILE 0.06 0.54 1 173 THR -0.55 0.57 1 174 PHE -0.59 0.84 1 175 TYR -0.76 0.79 1 176 THR 0.67 0.26 1 177 TYR 0.18 0.38 1 178 GLU -0.19 0.25 1 179 GLU 0.41 0.33 1 181 LEU 0.85 -0.21 1 182 SER 0.56 0.86 1 183 HIS 0.23 0.41 1 184 LEU -0.77 0.92 1 185 THR 0.92 0.22 1 186 ALA 0.92 0.32 1 187 GLU 0.88 0.24 1 189 GLN 0.93 0.17 1 190 ALA 1.14 0.25 1 191 THR 1.32 -0.22 1 192 LEU 1.00 -0.10 1 194 ARG 0.16 0.09 1 195 LEU 0.73 0.51 1 196 GLU 0.63 0.19 1 203 VAL 0.52 -0.12 1 204 SER -0.10 0.42 1 205 SER -0.23 1.58 1 206 GLN 0.37 0.29 1 208 ASN 1.06 -0.28 1 209 MET 0.36 0.33 1 210 ALA 0.07 0.36 1 212 VAL -0.09 0.42 1 213 ARG 0.15 0.48 1 214 THR 0.04 0.30 1 215 GLU 0.06 0.54 1 216 ASP 0.41 0.42 1 217 SER 0.98 -0.30 1 218 THR -0.02 0.09 1 219 ARG 0.24 0.43 1 220 ASP -0.09 0.50 1 221 TYR -0.81 0.70 1 222 GLU 0.37 0.58 1 223 ASP 0.35 0.12 1 225 MET -0.17 0.55 1 226 GLU -0.39 0.63 1 227 VAL -0.12 0.52 1 228 ASP -0.23 0.30 1 229 THR 1.14 -0.23 1 230 THR 0.37 0.44 1 232 THR -0.23 0.43 1 233 VAL 0.07 0.48 1 234 ALA 0.37 0.47 1 236 GLN 0.15 0.19 1 237 PHE -0.54 0.94 1 238 GLU 0.00 0.48 1 239 ASP -0.26 0.77 1 240 ALA 0.12 0.35 1 241 ASP -0.39 0.48 1 242 VAL 0.20 0.47 1 243 ASP 0.87 1.36 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.70 _LACS_plot.Line_1_terminator_val_y_1 -3.08 _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 -0.99 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 2.67 _LACS_plot.Y_axis_chem_shift_offset 0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 243 ASP 0.87 4.90 0 12 PHE 0.20 -1.03 1 13 LEU -5.04 -1.48 1 14 LYS -0.84 -0.07 1 15 SER 3.01 0.61 1 22 ALA 0.62 -0.14 1 23 GLU 2.61 -1.59 1 25 LEU 5.94 -0.75 1 26 ARG -2.29 -3.38 1 27 GLN 2.36 -0.98 1 31 GLU 0.61 1.35 1 32 THR -2.11 -0.93 1 33 GLU -2.91 -2.03 1 35 VAL -3.91 -2.06 1 36 LEU 2.86 2.75 1 37 ASN -1.87 -1.27 1 39 LYS -1.31 -1.37 1 41 LEU 0.74 -0.86 1 43 THR -1.77 -3.02 1 45 THR -5.39 -3.80 1 46 LEU -1.06 -0.71 1 47 TYR 1.74 -2.64 1 48 ILE -5.99 -1.64 1 49 ALA 4.16 1.12 1 50 GLU 2.91 0.31 1 51 SER -0.24 -3.47 1 52 ARG -2.87 -1.23 1 53 LEU -3.47 -4.17 1 54 SER -3.67 -1.83 1 55 TRP -7.70 -2.05 1 56 LEU -1.68 1.61 1 57 ASP -0.88 -0.17 1 59 SER -3.99 -0.83 1 61 LEU -3.79 -3.36 1 63 PHE -4.25 -2.23 1 64 SER -4.85 -2.29 1 65 LEU -2.49 -2.09 1 66 GLU 0.12 -0.88 1 69 THR 1.60 -0.66 1 70 ILE 0.32 0.19 1 71 SER -5.62 -0.57 1 73 HIS -4.03 -0.06 1 74 ALA -2.89 0.28 1 75 VAL -0.29 0.70 1 78 ASP 3.06 -1.46 1 79 LEU 2.03 0.94 1 80 ASN 0.81 -0.29 1 81 ALA -6.40 -0.51 1 84 ARG 2.35 -0.64 1 85 GLU -1.71 -3.04 1 86 HIS -3.82 -3.43 1 87 LEU -3.09 -1.87 1 88 TYR -4.19 -3.28 1 89 VAL -1.51 -2.39 1 90 MET -4.69 -1.23 1 91 VAL 0.04 -1.38 1 92 ASN -2.55 -2.89 1 93 ALA -1.14 -0.22 1 95 PHE 4.38 -1.12 1 98 GLU 0.83 2.15 1 100 LYS -0.02 -0.14 1 102 SER -0.09 -0.43 1 103 VAL 0.15 -0.14 1 104 ALA -0.30 -0.30 1 113 VAL -3.26 -1.30 1 116 ILE -4.03 -2.98 1 117 ALA -4.23 -1.82 1 118 GLU -3.68 -0.80 1 119 PHE -3.09 -1.78 1 120 ARG -2.31 -0.24 1 121 PHE 7.70 0.31 1 124 SER -1.53 -1.10 1 125 ASP 3.42 2.16 1 126 LYS 3.34 0.57 1 127 SER 0.05 -0.02 1 128 ALA 4.38 0.55 1 129 LEU 5.62 2.33 1 130 GLU 3.92 3.60 1 131 ALA 1.30 0.61 1 132 MET 4.43 2.02 1 133 PHE 6.66 1.38 1 134 THR 3.54 1.65 1 135 ALA 5.36 1.66 1 136 MET 2.94 2.66 1 138 GLU 4.05 1.82 1 140 GLN 1.49 0.01 1 141 ALA 0.64 -1.59 1 142 LEU -0.44 0.01 1 155 ASP 0.05 -0.12 1 162 GLU 0.39 0.54 1 166 GLN 1.11 0.45 1 168 GLN -0.11 -0.40 1 170 ASP 0.18 -0.39 1 171 ILE 0.06 -0.65 1 173 THR -0.55 -0.82 1 174 PHE -0.59 -0.30 1 175 TYR -0.76 -0.72 1 176 THR 0.67 0.06 1 177 TYR 0.18 -0.01 1 178 GLU -0.19 0.80 1 179 GLU 0.41 0.23 1 181 LEU 0.85 0.06 1 182 SER 0.56 2.64 1 183 HIS 0.23 0.10 1 184 LEU -0.77 -0.05 1 185 THR 0.92 0.68 1 186 ALA 0.92 1.06 1 187 GLU 0.88 0.30 1 189 GLN 0.93 0.71 1 190 ALA 1.14 0.19 1 191 THR 1.32 0.22 1 192 LEU 1.00 -1.10 1 194 ARG 0.16 0.09 1 195 LEU 0.73 0.96 1 196 GLU 0.63 0.16 1 203 VAL 0.52 0.38 1 204 SER -0.10 2.51 1 205 SER -0.23 0.77 1 206 GLN 0.37 0.04 1 208 ASN 1.06 -0.21 1 209 MET 0.36 0.40 1 210 ALA 0.07 -0.21 1 212 VAL -0.09 0.22 1 213 ARG 0.15 0.16 1 214 THR 0.04 -0.37 1 215 GLU 0.06 0.22 1 216 ASP 0.41 0.54 1 217 SER 0.98 -0.05 1 218 THR -0.02 -0.87 1 219 ARG 0.24 -0.49 1 220 ASP -0.09 -0.09 1 221 TYR -0.81 -0.57 1 222 GLU 0.37 0.62 1 223 ASP 0.35 -0.12 1 225 MET -0.17 -0.25 1 226 GLU -0.39 -0.60 1 227 VAL -0.12 0.20 1 228 ASP -0.23 -0.01 1 229 THR 1.14 -0.28 1 230 THR 0.37 -0.08 1 232 THR -0.23 -0.58 1 233 VAL 0.07 0.41 1 234 ALA 0.37 0.67 1 236 GLN 0.15 -0.08 1 237 PHE -0.54 -0.66 1 238 GLU 0.00 -0.34 1 239 ASP -0.26 -0.32 1 240 ALA 0.12 -0.07 1 241 ASP -0.39 -0.53 1 242 VAL 0.20 -1.14 1 stop_ save_