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 bmr7024_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.92 _LACS_plot.Line_2_terminator_val_x_2 7.76 _LACS_plot.Line_2_terminator_val_y_2 5.48 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 ASP 7.76 6.98 0 17 GLU -0.27 -0.72 1 18 GLU -0.65 -0.54 1 19 GLU 1.10 0.60 1 20 ASN 1.46 0.45 1 21 LYS -3.55 -1.80 1 22 HIS -3.58 -0.43 1 23 HIS 2.17 -0.36 1 24 MET 0.96 -2.60 1 26 ILE -7.59 -4.23 1 27 ASP -4.04 0.03 1 30 ILE -5.77 -2.23 1 31 LYS -4.19 -1.22 1 33 THR 0.95 -0.06 1 34 LYS 1.03 0.16 1 35 GLN 2.27 0.19 1 36 ASP 2.37 1.37 1 37 GLN -2.37 -0.50 1 38 THR -4.21 -3.40 1 40 THR 1.15 0.41 1 41 ASN 1.11 0.59 1 42 ASP -1.45 -2.26 1 43 LYS 2.94 -0.20 1 44 ILE -0.86 -0.89 1 46 GLN 4.92 4.04 1 47 SER -0.57 -0.08 1 48 VAL -2.39 -1.20 1 49 THR -2.98 -1.31 1 50 GLU -4.60 -2.50 1 51 ILE -3.69 -1.13 1 52 THR -1.10 -0.93 1 53 GLU -0.51 -0.65 1 54 SER -2.17 -1.14 1 55 GLU -0.09 -0.16 1 56 SER -0.35 -0.39 1 57 ASP -1.14 -1.77 1 59 ASP -1.91 -2.21 1 61 GLU 0.54 -0.16 1 62 VAL 0.19 -0.48 1 63 GLU -0.07 -0.37 1 64 SER -0.64 -0.58 1 65 GLU 0.22 -0.19 1 66 ASP -0.00 -0.04 1 67 ASP 0.28 -0.10 1 68 SER 0.67 0.36 1 69 THR 0.67 0.07 1 70 SER -0.17 -0.44 1 71 VAL 0.74 -0.29 1 72 GLU -0.36 -0.45 1 73 ASP 0.19 -0.18 1 74 VAL -0.63 -1.02 1 78 THR -0.21 0.60 1 79 THR -0.22 0.36 1 80 TYR -3.31 -1.79 1 81 TYR -3.65 -1.02 1 82 SER -2.55 -2.27 1 83 ILE -1.84 -0.79 1 84 ILE 0.75 -0.68 1 88 LEU -5.82 -2.60 1 89 ARG -0.31 -1.18 1 90 MET -2.74 -0.54 1 91 ASN -3.03 -1.74 1 92 PHE -5.13 -1.74 1 94 PHE -3.43 -0.56 1 95 THR -0.09 0.02 1 96 LYS 6.40 1.05 1 99 GLN 0.83 0.37 1 100 ILE 0.48 -2.85 1 101 LYS -5.00 -2.00 1 102 SER -1.71 -2.08 1 103 ILE -1.71 0.25 1 104 SER -3.69 -0.72 1 105 GLU -7.15 -1.69 1 106 SER -3.26 -0.47 1 107 ALA -3.12 -0.99 1 108 ASP -2.22 -0.75 1 111 THR -2.01 -0.75 1 112 VAL -2.22 -0.83 1 113 ASN -4.97 -2.46 1 114 ALA -4.74 -1.50 1 115 ARG -4.79 -1.58 1 116 LEU -1.39 -0.51 1 117 SER -7.05 -0.83 1 118 SER 0.33 0.21 1 119 VAL -3.06 -2.27 1 120 SER 1.37 -0.64 1 123 GLN -2.16 -1.10 1 125 LYS -3.12 -3.24 1 127 SER -2.95 -3.04 1 129 ALA -1.33 -2.11 1 130 ILE -2.63 -1.86 1 131 THR -1.32 -0.19 1 132 HIS 5.27 5.80 1 133 GLU 4.91 3.49 1 134 GLU 2.46 2.01 1 135 ALA 3.69 2.87 1 136 LEU 3.06 1.89 1 137 ALA 3.28 1.54 1 138 MET 4.85 3.51 1 139 ILE 6.15 4.07 1 140 LYS 0.93 -0.39 1 141 ASP -0.43 0.80 1 143 GLU -5.32 -2.35 1 144 VAL -4.71 -3.13 1 145 SER -5.53 -3.05 1 146 ILE -3.46 -1.13 1 148 ILE -0.03 -2.02 1 151 SER -2.28 -1.72 1 153 GLU 0.60 0.42 1 154 GLU -1.73 -1.20 1 155 LYS 2.42 0.18 1 156 ASP 0.50 0.36 1 157 SER 1.49 2.40 1 158 ASP -0.67 -1.77 1 159 ILE -1.38 -0.83 1 160 LYS -1.21 -3.42 1 161 THR 1.42 -0.60 1 162 HIS -1.88 -2.55 1 164 VAL 2.96 0.82 1 165 LEU -0.60 -0.95 1 167 SER -0.94 0.23 1 168 ASN 2.05 1.63 1 169 ILE 0.61 -0.25 1 170 SER -3.78 -2.62 1 172 LYS 0.40 -0.99 1 173 LYS 3.65 2.16 1 174 VAL -2.09 -2.62 1 175 SER 1.87 1.55 1 176 TYR 0.68 1.04 1 177 GLU -5.78 -2.60 1 178 ASP 0.23 -0.85 1 179 ILE -1.60 1.10 1 180 ILE 1.54 1.16 1 182 SER 2.96 0.31 1 183 THR -1.63 -0.22 1 184 ILE -4.37 -2.70 1 185 VAL -6.04 -3.13 1 186 ASP -0.53 -0.76 1 187 THR 2.81 1.72 1 188 LYS 4.31 2.35 1 191 LYS 0.76 1.57 1 192 ASN -6.13 -2.37 1 193 LEU -3.62 -0.06 1 194 GLU -5.88 -0.96 1 195 PHE -5.31 -1.89 1 196 SER 0.40 -1.38 1 197 VAL -3.75 -2.78 1 198 ARG -7.34 -3.49 1 199 ILE -2.02 -1.24 1 201 ASP -1.99 -0.36 1 202 MET 1.12 2.91 1 204 LYS -0.61 -0.59 1 205 GLU 1.16 0.67 1 206 SER -1.68 -1.20 1 208 GLU 1.93 1.14 1 209 LEU -1.20 -1.79 1 210 GLU -1.60 -2.80 1 211 VAL -7.33 -3.48 1 212 LYS -5.91 -1.49 1 213 ASP -6.70 -2.51 1 215 PHE -5.03 -1.20 1 216 LYS -3.50 -1.14 1 217 TYR -3.15 -3.01 1 218 VAL -4.00 -2.20 1 219 ASP 3.05 0.95 1 221 SER -1.96 -1.21 1 222 ALA -5.58 -2.63 1 223 SER -2.13 -0.42 1 224 LYS -2.33 -0.64 1 226 ALA -0.98 -1.58 1 227 THR -3.36 -2.42 1 228 ASP -0.23 -0.30 1 229 ASP -1.85 -0.17 1 230 THR 4.76 4.00 1 232 LEU 3.61 3.14 1 233 ILE -5.76 -3.08 1 234 ASP -0.74 -2.52 1 236 THR 3.53 2.17 1 237 LYS -0.45 -1.13 1 238 LEU 1.10 0.40 1 239 LYS -3.57 -2.76 1 240 ALA 1.13 0.48 1 242 VAL -1.17 0.12 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7024_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 4.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.08 _LACS_plot.Line_2_terminator_val_x_2 7.76 _LACS_plot.Line_2_terminator_val_y_2 -2.28 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 ASP 7.76 -0.78 0 17 GLU -0.27 -0.45 1 18 GLU -0.65 0.11 1 19 GLU 1.10 -0.50 1 20 ASN 1.46 -1.01 1 21 LYS -3.55 1.75 1 22 HIS -3.58 3.15 1 23 HIS 2.17 -2.53 1 24 MET 0.96 -3.56 1 26 ILE -7.59 3.36 1 27 ASP -4.04 4.07 1 30 ILE -5.77 3.54 1 31 LYS -4.19 2.97 1 33 THR 0.95 -1.01 1 34 LYS 1.03 -0.87 1 35 GLN 2.27 -2.08 1 36 ASP 2.37 -1.00 1 37 GLN -2.37 1.87 1 38 THR -4.21 0.81 1 40 THR 1.15 -0.74 1 41 ASN 1.11 -0.52 1 42 ASP -1.45 -0.81 1 43 LYS 2.94 -3.14 1 44 ILE -0.86 -0.03 1 46 GLN 4.92 -0.88 1 47 SER -0.57 0.49 1 48 VAL -2.39 1.19 1 49 THR -2.98 1.67 1 50 GLU -4.60 2.10 1 51 ILE -3.69 2.56 1 52 THR -1.10 0.17 1 53 GLU -0.51 -0.14 1 54 SER -2.17 1.03 1 55 GLU -0.09 -0.07 1 56 SER -0.35 -0.04 1 57 ASP -1.14 -0.63 1 59 ASP -1.91 -0.30 1 61 GLU 0.54 -0.70 1 62 VAL 0.19 -0.67 1 63 GLU -0.07 -0.30 1 64 SER -0.64 0.06 1 65 GLU 0.22 -0.41 1 66 ASP -0.00 -0.04 1 67 ASP 0.28 -0.38 1 68 SER 0.67 -0.31 1 69 THR 0.67 -0.60 1 70 SER -0.17 -0.27 1 71 VAL 0.74 -1.03 1 72 GLU -0.36 -0.09 1 73 ASP 0.19 -0.37 1 74 VAL -0.63 -0.39 1 78 THR -0.21 0.81 1 79 THR -0.22 0.58 1 80 TYR -3.31 1.52 1 81 TYR -3.65 2.63 1 82 SER -2.55 0.28 1 83 ILE -1.84 1.05 1 84 ILE 0.75 -1.43 1 88 LEU -5.82 3.22 1 89 ARG -0.31 -0.87 1 90 MET -2.74 2.20 1 91 ASN -3.03 1.29 1 92 PHE -5.13 3.39 1 94 PHE -3.43 2.87 1 95 THR -0.09 0.11 1 96 LYS 6.40 -5.35 1 99 GLN 0.83 -0.46 1 100 ILE 0.48 -3.33 1 101 LYS -5.00 3.00 1 102 SER -1.71 -0.37 1 103 ILE -1.71 1.96 1 104 SER -3.69 2.97 1 105 GLU -7.15 5.46 1 106 SER -3.26 2.79 1 107 ALA -3.12 2.13 1 108 ASP -2.22 1.47 1 111 THR -2.01 1.26 1 112 VAL -2.22 1.39 1 113 ASN -4.97 2.51 1 114 ALA -4.74 3.24 1 115 ARG -4.79 3.21 1 116 LEU -1.39 0.88 1 117 SER -7.05 6.22 1 118 SER 0.33 -0.12 1 119 VAL -3.06 0.79 1 120 SER 1.37 -2.01 1 123 GLN -2.16 1.06 1 125 LYS -3.12 -0.12 1 127 SER -2.95 -0.09 1 129 ALA -1.33 -0.78 1 130 ILE -2.63 0.77 1 131 THR -1.32 1.13 1 132 HIS 5.27 0.53 1 133 GLU 4.91 -1.42 1 134 GLU 2.46 -0.45 1 135 ALA 3.69 -0.82 1 136 LEU 3.06 -1.17 1 137 ALA 3.28 -1.74 1 138 MET 4.85 -1.34 1 139 ILE 6.15 -2.08 1 140 LYS 0.93 -1.32 1 141 ASP -0.43 1.23 1 143 GLU -5.32 2.97 1 144 VAL -4.71 1.58 1 145 SER -5.53 2.48 1 146 ILE -3.46 2.33 1 148 ILE -0.03 -1.99 1 151 SER -2.28 0.56 1 153 GLU 0.60 -0.18 1 154 GLU -1.73 0.53 1 155 LYS 2.42 -2.24 1 156 ASP 0.50 -0.14 1 157 SER 1.49 0.91 1 158 ASP -0.67 -1.10 1 159 ILE -1.38 0.55 1 160 LYS -1.21 -2.21 1 161 THR 1.42 -2.02 1 162 HIS -1.88 -0.67 1 164 VAL 2.96 -2.14 1 165 LEU -0.60 -0.35 1 167 SER -0.94 1.17 1 168 ASN 2.05 -0.42 1 169 ILE 0.61 -0.86 1 170 SER -3.78 1.16 1 172 LYS 0.40 -1.39 1 173 LYS 3.65 -1.49 1 174 VAL -2.09 -0.53 1 175 SER 1.87 -0.32 1 176 TYR 0.68 0.36 1 177 GLU -5.78 3.18 1 178 ASP 0.23 -1.08 1 179 ILE -1.60 2.70 1 180 ILE 1.54 -0.38 1 182 SER 2.96 -2.65 1 183 THR -1.63 1.41 1 184 ILE -4.37 1.67 1 185 VAL -6.04 2.91 1 186 ASP -0.53 -0.23 1 187 THR 2.81 -1.09 1 188 LYS 4.31 -1.96 1 191 LYS 0.76 0.81 1 192 ASN -6.13 3.76 1 193 LEU -3.62 3.56 1 194 GLU -5.88 4.92 1 195 PHE -5.31 3.42 1 196 SER 0.40 -1.78 1 197 VAL -3.75 0.97 1 198 ARG -7.34 3.85 1 199 ILE -2.02 0.78 1 201 ASP -1.99 1.63 1 202 MET 1.12 1.79 1 204 LYS -0.61 0.02 1 205 GLU 1.16 -0.49 1 206 SER -1.68 0.48 1 208 GLU 1.93 -0.79 1 209 LEU -1.20 -0.59 1 210 GLU -1.60 -1.20 1 211 VAL -7.33 3.85 1 212 LYS -5.91 4.42 1 213 ASP -6.70 4.19 1 215 PHE -5.03 3.83 1 216 LYS -3.50 2.36 1 217 TYR -3.15 0.14 1 218 VAL -4.00 1.80 1 219 ASP 3.05 -2.10 1 221 SER -1.96 0.75 1 222 ALA -5.58 2.95 1 223 SER -2.13 1.71 1 224 LYS -2.33 1.69 1 226 ALA -0.98 -0.60 1 227 THR -3.36 0.94 1 228 ASP -0.23 -0.07 1 229 ASP -1.85 1.68 1 230 THR 4.76 -0.76 1 232 LEU 3.61 -0.47 1 233 ILE -5.76 2.68 1 234 ASP -0.74 -1.78 1 236 THR 3.53 -1.36 1 237 LYS -0.45 -0.68 1 238 LEU 1.10 -0.70 1 239 LYS -3.57 0.81 1 240 ALA 1.13 -0.65 1 242 VAL -1.17 1.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7024_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 -2.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _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 6.40 _LACS_plot.Line_2_terminator_val_y_2 0.97 _LACS_plot.Y_axis_chem_shift_offset 0.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 ILE -5.77 -5.48 0 211 VAL -7.33 1.17 0 117 SER -7.05 1.48 0 96 LYS 6.40 -2.43 0 36 ASP 2.37 -4.65 0 17 GLU -0.27 -0.14 1 18 GLU -0.65 -0.20 1 19 GLU 1.10 -3.61 1 20 ASN 1.46 -1.33 1 21 LYS -3.55 -1.33 1 22 HIS -3.58 1.04 1 23 HIS 2.17 0.34 1 24 MET 0.96 0.24 1 26 ILE -7.59 -4.01 1 27 ASP -4.04 -2.67 1 31 LYS -4.19 -0.38 1 33 THR 0.95 0.09 1 34 LYS 1.03 -0.42 1 35 GLN 2.27 0.42 1 37 GLN -2.37 -1.81 1 40 THR 1.15 -0.89 1 41 ASN 1.11 -2.15 1 42 ASP -1.45 0.72 1 43 LYS 2.94 0.16 1 44 ILE -0.86 0.03 1 46 GLN 4.92 1.76 1 47 SER -0.57 -1.77 1 48 VAL -2.39 -0.67 1 49 THR -2.98 1.84 1 50 GLU -4.60 -1.59 1 51 ILE -3.69 -2.55 1 52 THR -1.10 -0.86 1 53 GLU -0.51 -2.29 1 54 SER -2.17 -0.66 1 55 GLU -0.09 -0.13 1 56 SER -0.35 -0.79 1 61 GLU 0.54 0.06 1 62 VAL 0.19 -0.33 1 63 GLU -0.07 -0.27 1 64 SER -0.64 0.01 1 65 GLU 0.22 -0.33 1 66 ASP -0.00 -0.33 1 67 ASP 0.28 0.32 1 68 SER 0.67 0.44 1 69 THR 0.67 -0.03 1 70 SER -0.17 -0.02 1 71 VAL 0.74 -0.17 1 72 GLU -0.36 -0.58 1 73 ASP 0.19 -0.56 1 74 VAL -0.63 -1.36 1 78 THR -0.21 -1.45 1 79 THR -0.22 -2.36 1 80 TYR -3.31 -0.34 1 81 TYR -3.65 -0.59 1 82 SER -2.55 0.54 1 83 ILE -1.84 0.35 1 84 ILE 0.75 -1.10 1 88 LEU -5.82 -3.81 1 89 ARG -0.31 -3.73 1 91 ASN -3.03 -0.73 1 92 PHE -5.13 -1.22 1 94 PHE -3.43 -0.33 1 95 THR -0.09 -3.14 1 99 GLN 0.83 0.22 1 100 ILE 0.48 -0.88 1 101 LYS -5.00 -2.22 1 102 SER -1.71 -0.95 1 103 ILE -1.71 -2.38 1 104 SER -3.69 1.91 1 105 GLU -7.15 -1.89 1 106 SER -3.26 -2.81 1 107 ALA -3.12 -1.70 1 111 THR -2.01 -0.51 1 112 VAL -2.22 -2.97 1 113 ASN -4.97 -0.77 1 114 ALA -4.74 -3.39 1 115 ARG -4.79 -1.16 1 116 LEU -1.39 -2.47 1 118 SER 0.33 -3.31 1 119 VAL -3.06 -1.57 1 123 GLN -2.16 -0.13 1 129 ALA -1.33 -0.90 1 130 ILE -2.63 -0.47 1 131 THR -1.32 0.89 1 132 HIS 5.27 2.22 1 133 GLU 4.91 3.40 1 134 GLU 2.46 2.90 1 135 ALA 3.69 0.26 1 136 LEU 3.06 1.56 1 137 ALA 3.28 1.39 1 138 MET 4.85 1.63 1 139 ILE 6.15 -0.50 1 140 LYS 0.93 1.44 1 141 ASP -0.43 0.41 1 143 GLU -5.32 -1.51 1 144 VAL -4.71 -1.89 1 145 SER -5.53 -0.85 1 146 ILE -3.46 -1.24 1 153 GLU 0.60 0.29 1 154 GLU -1.73 0.02 1 155 LYS 2.42 -1.99 1 156 ASP 0.50 0.57 1 157 SER 1.49 -1.50 1 158 ASP -0.67 -2.32 1 159 ILE -1.38 0.91 1 160 LYS -1.21 0.55 1 161 THR 1.42 0.16 1 164 VAL 2.96 0.17 1 165 LEU -0.60 0.00 1 167 SER -0.94 -0.07 1 168 ASN 2.05 -0.71 1 169 ILE 0.61 -1.15 1 172 LYS 0.40 -3.04 1 173 LYS 3.65 -0.65 1 174 VAL -2.09 -1.55 1 175 SER 1.87 -2.54 1 176 TYR 0.68 -0.35 1 177 GLU -5.78 -1.10 1 178 ASP 0.23 -2.50 1 179 ILE -1.60 0.90 1 180 ILE 1.54 0.43 1 182 SER 2.96 -0.14 1 183 THR -1.63 -3.35 1 184 ILE -4.37 -2.80 1 185 VAL -6.04 -2.02 1 186 ASP -0.53 0.86 1 187 THR 2.81 0.48 1 188 LYS 4.31 1.07 1 191 LYS 0.76 -2.42 1 192 ASN -6.13 -1.49 1 193 LEU -3.62 -3.60 1 194 GLU -5.88 -2.92 1 195 PHE -5.31 -3.97 1 196 SER 0.40 -0.17 1 197 VAL -3.75 -3.76 1 198 ARG -7.34 -1.35 1 199 ILE -2.02 -2.13 1 201 ASP -1.99 1.41 1 202 MET 1.12 0.07 1 204 LYS -0.61 -2.76 1 205 GLU 1.16 0.70 1 208 GLU 1.93 -0.77 1 209 LEU -1.20 -4.18 1 210 GLU -1.60 0.38 1 212 LYS -5.91 -3.34 1 213 ASP -6.70 -0.68 1 215 PHE -5.03 -2.77 1 216 LYS -3.50 -3.44 1 217 TYR -3.15 -2.63 1 218 VAL -4.00 -0.42 1 219 ASP 3.05 -0.16 1 221 SER -1.96 -2.10 1 222 ALA -5.58 -0.80 1 223 SER -2.13 -1.45 1 224 LYS -2.33 0.52 1 226 ALA -0.98 -2.32 1 227 THR -3.36 -1.83 1 228 ASP -0.23 -0.35 1 229 ASP -1.85 0.48 1 230 THR 4.76 -0.36 1 232 LEU 3.61 -0.48 1 233 ILE -5.76 -1.98 1 236 THR 3.53 1.37 1 237 LYS -0.45 -0.03 1 238 LEU 1.10 -1.24 1 239 LYS -3.57 -1.46 1 240 ALA 1.13 -1.08 1 stop_ save_