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 bmr26722_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.29 _LACS_plot.Line_1_terminator_val_y_1 -3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.97 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 6.29 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 237 ARG -5.52 -1.25 0 10 LYS 4.14 3.02 1 11 ILE 4.64 3.46 1 12 ALA 3.85 2.11 1 13 ALA 2.63 1.32 1 14 ASN -1.91 -0.15 1 15 LEU 7.97 5.28 1 17 TYR 3.78 1.34 1 18 LEU 3.82 1.68 1 19 ARG 6.78 4.05 1 20 ARG 5.89 3.29 1 21 TYR 2.69 1.79 1 22 ALA 0.78 1.84 1 23 ARG 3.77 3.20 1 24 ALA 4.11 1.99 1 25 LEU 0.72 1.09 1 26 THR -1.16 0.00 1 28 SER -2.42 -1.66 1 31 THR 6.06 3.84 1 33 ASP 6.16 3.32 1 34 THR 7.14 5.08 1 35 PHE 4.79 4.54 1 36 VAL 9.20 6.01 1 37 ARG 5.93 3.88 1 38 ALA 3.71 1.99 1 39 THR 7.32 5.23 1 40 LEU 4.48 2.56 1 41 GLU 3.61 2.20 1 42 ALA 3.69 1.63 1 43 ALA 3.47 1.45 1 44 ILE 3.56 1.53 1 45 ALA 0.65 0.08 1 46 ASP -2.40 -1.40 1 47 GLU 3.01 1.95 1 48 SER 4.21 2.49 1 49 LEU 3.15 1.39 1 52 ASP 2.87 2.31 1 53 VAL 3.21 0.96 1 54 SER 1.62 1.30 1 55 GLU 0.92 0.29 1 57 ARG 5.04 4.53 1 58 VAL 4.52 3.04 1 60 LEU 4.21 3.04 1 61 TYR 3.60 3.44 1 62 LYS 4.46 2.23 1 63 ALA 3.44 2.64 1 64 PHE 3.85 3.99 1 65 ASN 4.25 2.29 1 66 ALA 4.05 2.66 1 67 LEU 3.96 2.57 1 69 SER 2.41 1.53 1 70 SER 2.44 1.68 1 71 SER 1.09 0.07 1 72 TYR 0.55 -0.45 1 73 LEU -0.28 -0.73 1 74 GLU -0.07 -0.71 1 75 VAL -0.10 -0.38 1 76 GLU -0.05 -0.22 1 78 ASP 0.32 -0.25 1 82 ASP 1.12 -0.06 1 83 VAL 1.39 0.15 1 84 VAL 0.58 -0.19 1 85 SER 0.82 -0.11 1 86 ALA 1.02 -0.04 1 87 LYS 0.91 0.02 1 89 ALA 0.61 -0.01 1 91 ALA 0.52 -0.01 1 93 ASP 1.05 -0.08 1 94 ARG 0.43 -0.35 1 96 LYS -1.34 -1.31 1 98 VAL 2.55 2.13 1 99 THR 3.28 2.77 1 101 LEU 7.15 3.00 1 102 ASN 3.45 1.61 1 103 ARG 6.29 4.20 1 104 GLN 3.22 2.44 1 105 ALA 3.32 2.20 1 106 LEU 3.88 3.54 1 107 LEU 2.79 2.38 1 108 LEU -0.62 -0.26 1 109 THR -1.31 -0.89 1 110 THR 2.10 2.22 1 111 LEU -1.88 -1.85 1 112 GLU 2.52 0.91 1 113 ASP 1.45 0.42 1 114 PHE -2.62 -1.96 1 115 SER 6.67 4.46 1 116 VAL 6.17 4.07 1 117 GLU 4.11 2.41 1 118 ASP 3.50 1.87 1 119 ALA 5.60 2.71 1 120 ALA 3.78 1.76 1 121 GLU 5.92 4.37 1 122 ILE 0.49 1.59 1 123 MET -6.29 -3.06 1 125 LEU 0.15 -0.89 1 126 ALA 3.56 2.08 1 128 ALA 2.74 2.07 1 129 ASP 7.05 4.48 1 130 VAL 4.11 2.96 1 131 GLU 3.05 2.22 1 133 LEU 6.94 4.74 1 134 VAL 5.08 3.41 1 135 ARG 2.25 1.96 1 136 GLU 2.55 2.23 1 137 ALA 6.52 4.40 1 138 VAL 3.83 1.77 1 139 ALA 3.44 2.32 1 140 GLU 5.72 3.82 1 141 ILE 3.14 2.20 1 142 ASP 0.03 -0.64 1 143 ARG 0.76 -0.18 1 144 GLU 0.68 0.09 1 145 SER -1.04 -0.25 1 146 SER -1.79 -1.85 1 147 THR -1.84 -2.20 1 148 ASN -1.84 -1.06 1 149 VAL -3.33 -2.20 1 150 LEU -1.48 -1.21 1 151 ILE -0.57 -1.72 1 152 ILE -3.45 -2.27 1 153 GLU 0.44 0.24 1 154 ASP -1.22 -0.86 1 155 GLU 4.22 2.20 1 157 LEU 3.31 0.61 1 158 ILE 4.29 2.69 1 161 GLN 3.61 2.12 1 162 LEU 4.45 3.20 1 163 GLU 4.09 2.74 1 164 ASP 4.31 2.52 1 165 LEU 7.36 5.17 1 166 VAL 4.89 3.08 1 167 ARG 0.32 -0.69 1 169 LEU -2.79 0.36 1 171 HIS -3.42 -1.66 1 172 ASP -0.69 -2.98 1 173 ILE 0.31 -0.32 1 174 ALA -2.47 -2.17 1 176 THR -3.77 -1.89 1 177 ALA -1.14 -0.57 1 178 ALA 5.26 2.84 1 180 ARG 4.87 3.16 1 181 THR 3.07 1.88 1 182 GLN 3.48 1.91 1 183 ALA 2.55 1.45 1 185 GLU 2.87 1.53 1 186 ALA 3.06 1.04 1 187 VAL 2.36 0.88 1 188 ALA 1.85 1.14 1 189 LYS -1.87 -1.14 1 190 GLU -3.46 -0.99 1 194 LEU -2.86 -2.40 1 195 VAL -3.42 -2.41 1 196 LEU -2.95 -2.67 1 199 ILE 0.81 -0.26 1 200 GLN -0.38 -1.15 1 201 LEU 0.20 -0.41 1 202 ALA 0.89 0.06 1 203 ASP 1.36 0.67 1 205 SER 1.56 0.66 1 206 SER 2.26 0.47 1 208 ILE 3.26 1.66 1 209 ASP 2.43 1.39 1 210 ALA 5.93 3.65 1 211 VAL 4.03 2.66 1 212 GLU 2.63 2.31 1 213 ASP 4.78 3.29 1 214 ILE 3.64 1.97 1 215 LEU 0.52 0.19 1 217 GLN -2.56 -0.82 1 218 PHE -0.17 -1.23 1 219 ASP -0.12 -1.93 1 220 VAL -3.01 -2.88 1 222 VAL -0.94 -0.41 1 224 PHE -2.14 -2.11 1 225 ILE -1.37 -2.72 1 226 THR 0.53 -0.27 1 227 ALA -1.13 -1.72 1 228 TYR 6.99 3.72 1 230 GLU 2.82 1.39 1 231 ARG -1.47 -2.07 1 232 LEU -1.24 -1.94 1 233 LEU 1.44 1.95 1 234 THR 0.82 0.89 1 236 ASP 1.08 -0.98 1 239 GLU 4.40 3.30 1 241 THR -3.89 -1.61 1 242 TYR -4.60 -1.57 1 243 LEU -3.52 -2.25 1 244 VAL 0.43 -0.45 1 245 THR -2.67 -1.96 1 246 LYS 3.59 3.49 1 248 PHE -2.68 -2.10 1 249 GLN 5.45 4.29 1 250 GLU 4.71 2.33 1 251 SER 6.21 4.08 1 252 THR 7.53 4.97 1 253 VAL 5.12 3.91 1 254 ARG 6.06 4.62 1 255 THR 8.37 6.05 1 256 THR 6.85 4.84 1 257 ILE 5.24 2.86 1 258 SER 4.36 1.82 1 259 GLN 3.95 1.45 1 260 ALA 3.16 0.95 1 261 LEU 4.38 2.72 1 262 PHE 3.05 2.06 1 263 PHE 1.04 0.25 1 264 GLN -0.01 -0.34 1 265 ASN 0.80 0.06 1 266 SER -0.01 -0.44 1 268 THR 0.14 -0.40 1 269 ALA 1.35 0.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26722_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.29 _LACS_plot.Line_1_terminator_val_y_1 2.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 -2.90 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 237 ARG -5.52 4.27 0 10 LYS 4.14 -1.12 1 11 ILE 4.64 -1.18 1 12 ALA 3.85 -1.74 1 13 ALA 2.63 -1.31 1 14 ASN -1.91 1.76 1 15 LEU 7.97 -2.69 1 17 TYR 3.78 -2.44 1 18 LEU 3.82 -2.14 1 19 ARG 6.78 -2.73 1 20 ARG 5.89 -2.60 1 21 TYR 2.69 -0.90 1 22 ALA 0.78 1.06 1 23 ARG 3.77 -0.57 1 24 ALA 4.11 -2.12 1 25 LEU 0.72 0.37 1 26 THR -1.16 1.16 1 28 SER -2.42 0.76 1 31 THR 6.06 -2.22 1 33 ASP 6.16 -2.84 1 34 THR 7.14 -2.06 1 35 PHE 4.79 -0.25 1 36 VAL 9.20 -3.19 1 37 ARG 5.93 -2.05 1 38 ALA 3.71 -1.72 1 39 THR 7.32 -2.09 1 40 LEU 4.48 -1.92 1 41 GLU 3.61 -1.41 1 42 ALA 3.69 -2.06 1 43 ALA 3.47 -2.02 1 44 ILE 3.56 -2.03 1 45 ALA 0.65 -0.57 1 46 ASP -2.40 1.00 1 47 GLU 3.01 -1.06 1 48 SER 4.21 -1.72 1 49 LEU 3.15 -1.76 1 52 ASP 2.87 -0.56 1 53 VAL 3.21 -2.25 1 54 SER 1.62 -0.32 1 55 GLU 0.92 -0.63 1 57 ARG 5.04 -0.51 1 58 VAL 4.52 -1.48 1 60 LEU 4.21 -1.17 1 61 TYR 3.60 -0.16 1 62 LYS 4.46 -2.23 1 63 ALA 3.44 -0.80 1 64 PHE 3.85 0.14 1 65 ASN 4.25 -1.96 1 66 ALA 4.05 -1.39 1 67 LEU 3.96 -1.39 1 69 SER 2.41 -0.88 1 70 SER 2.44 -0.76 1 71 SER 1.09 -1.02 1 72 TYR 0.55 -1.00 1 73 LEU -0.28 -0.45 1 74 GLU -0.07 -0.64 1 75 VAL -0.10 -0.28 1 76 GLU -0.05 -0.17 1 78 ASP 0.32 -0.57 1 82 ASP 1.12 -1.18 1 83 VAL 1.39 -1.24 1 84 VAL 0.58 -0.77 1 85 SER 0.82 -0.93 1 86 ALA 1.02 -1.06 1 87 LYS 0.91 -0.89 1 89 ALA 0.61 -0.62 1 91 ALA 0.52 -0.53 1 93 ASP 1.05 -1.13 1 94 ARG 0.43 -0.78 1 96 LYS -1.34 0.03 1 98 VAL 2.55 -0.42 1 99 THR 3.28 -0.51 1 101 LEU 7.15 -4.15 1 102 ASN 3.45 -1.84 1 103 ARG 6.29 -2.09 1 104 GLN 3.22 -0.78 1 105 ALA 3.32 -1.12 1 106 LEU 3.88 -0.34 1 107 LEU 2.79 -0.41 1 108 LEU -0.62 0.36 1 109 THR -1.31 0.42 1 110 THR 2.10 0.12 1 111 LEU -1.88 0.03 1 112 GLU 2.52 -1.61 1 113 ASP 1.45 -1.03 1 114 PHE -2.62 0.66 1 115 SER 6.67 -2.21 1 116 VAL 6.17 -2.10 1 117 GLU 4.11 -1.70 1 118 ASP 3.50 -1.63 1 119 ALA 5.60 -2.89 1 120 ALA 3.78 -2.02 1 121 GLU 5.92 -1.55 1 122 ILE 0.49 1.10 1 123 MET -6.29 3.23 1 125 LEU 0.15 -1.04 1 126 ALA 3.56 -1.48 1 128 ALA 2.74 -0.67 1 129 ASP 7.05 -2.57 1 130 VAL 4.11 -1.15 1 131 GLU 3.05 -0.83 1 133 LEU 6.94 -2.20 1 134 VAL 5.08 -1.67 1 135 ARG 2.25 -0.29 1 136 GLU 2.55 -0.32 1 137 ALA 6.52 -2.12 1 138 VAL 3.83 -2.06 1 139 ALA 3.44 -1.12 1 140 GLU 5.72 -1.90 1 141 ILE 3.14 -0.94 1 142 ASP 0.03 -0.67 1 143 ARG 0.76 -0.94 1 144 GLU 0.68 -0.59 1 145 SER -1.04 0.79 1 146 SER -1.79 -0.06 1 147 THR -1.84 -0.36 1 148 ASN -1.84 0.78 1 149 VAL -3.33 1.13 1 150 LEU -1.48 0.27 1 151 ILE -0.57 -1.15 1 152 ILE -3.45 1.18 1 153 GLU 0.44 -0.20 1 154 ASP -1.22 0.36 1 155 GLU 4.22 -2.02 1 157 LEU 3.31 -2.70 1 158 ILE 4.29 -1.60 1 161 GLN 3.61 -1.49 1 162 LEU 4.45 -1.25 1 163 GLU 4.09 -1.35 1 164 ASP 4.31 -1.79 1 165 LEU 7.36 -2.19 1 166 VAL 4.89 -1.81 1 167 ARG 0.32 -1.01 1 169 LEU -2.79 3.15 1 171 HIS -3.42 1.76 1 172 ASP -0.69 -2.29 1 173 ILE 0.31 -0.63 1 174 ALA -2.47 0.30 1 176 THR -3.77 1.88 1 177 ALA -1.14 0.57 1 178 ALA 5.26 -2.42 1 180 ARG 4.87 -1.71 1 181 THR 3.07 -1.19 1 182 GLN 3.48 -1.57 1 183 ALA 2.55 -1.10 1 185 GLU 2.87 -1.34 1 186 ALA 3.06 -2.02 1 187 VAL 2.36 -1.48 1 188 ALA 1.85 -0.71 1 189 LYS -1.87 0.73 1 190 GLU -3.46 2.47 1 194 LEU -2.86 0.46 1 195 VAL -3.42 1.01 1 196 LEU -2.95 0.28 1 199 ILE 0.81 -1.07 1 200 GLN -0.38 -0.77 1 201 LEU 0.20 -0.61 1 202 ALA 0.89 -0.83 1 203 ASP 1.36 -0.69 1 205 SER 1.56 -0.90 1 206 SER 2.26 -1.79 1 208 ILE 3.26 -1.60 1 209 ASP 2.43 -1.04 1 210 ALA 5.93 -2.28 1 211 VAL 4.03 -1.37 1 212 GLU 2.63 -0.32 1 213 ASP 4.78 -1.49 1 214 ILE 3.64 -1.67 1 215 LEU 0.52 -0.33 1 217 GLN -2.56 1.74 1 218 PHE -0.17 -1.06 1 219 ASP -0.12 -1.81 1 220 VAL -3.01 0.13 1 222 VAL -0.94 0.53 1 224 PHE -2.14 0.03 1 225 ILE -1.37 -1.35 1 226 THR 0.53 -0.80 1 227 ALA -1.13 -0.59 1 228 TYR 6.99 -3.27 1 230 GLU 2.82 -1.43 1 231 ARG -1.47 -0.60 1 232 LEU -1.24 -0.70 1 233 LEU 1.44 0.51 1 234 THR 0.82 0.07 1 236 ASP 1.08 -2.06 1 239 GLU 4.40 -1.10 1 241 THR -3.89 2.28 1 242 TYR -4.60 3.03 1 243 LEU -3.52 1.27 1 244 VAL 0.43 -0.88 1 245 THR -2.67 0.71 1 246 LYS 3.59 -0.10 1 248 PHE -2.68 0.58 1 249 GLN 5.45 -1.16 1 250 GLU 4.71 -2.38 1 251 SER 6.21 -2.13 1 252 THR 7.53 -2.56 1 253 VAL 5.12 -1.21 1 254 ARG 6.06 -1.44 1 255 THR 8.37 -2.32 1 256 THR 6.85 -2.01 1 257 ILE 5.24 -2.38 1 258 SER 4.36 -2.54 1 259 GLN 3.95 -2.50 1 260 ALA 3.16 -2.21 1 261 LEU 4.38 -1.66 1 262 PHE 3.05 -0.99 1 263 PHE 1.04 -0.79 1 264 GLN -0.01 -0.33 1 265 ASN 0.80 -0.74 1 266 SER -0.01 -0.43 1 268 THR 0.14 -0.54 1 269 ALA 1.35 -0.53 1 stop_ save_