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 bmr18603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -5.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.86 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 2.11 _LACS_plot.Y_axis_chem_shift_offset 3.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 165 PHE -5.92 -3.22 0 235 ALA -7.32 -4.30 0 215 PHE 6.44 4.89 0 10 SER 6.27 0.83 1 11 THR -0.22 -4.75 1 12 LEU 0.58 -4.29 1 13 ASN 0.87 -3.29 1 14 ASN -5.60 -6.57 1 16 PHE 3.62 0.99 1 17 PHE 3.48 1.00 1 18 VAL 6.60 1.79 1 19 SER 5.01 0.80 1 20 LEU 3.93 0.75 1 21 LYS 6.62 0.45 1 22 ASP 4.67 0.46 1 24 ALA 3.58 -1.09 1 25 GLN 3.89 0.17 1 26 LYS 4.49 0.07 1 27 GLU 2.56 -1.14 1 28 ALA 5.31 0.52 1 29 ASP 3.75 -0.29 1 30 LYS 3.98 0.07 1 31 LEU -0.09 -3.26 1 33 TYR -2.41 -2.83 1 34 ASN -1.20 -3.69 1 35 LEU -3.33 -4.92 1 36 VAL -1.69 -4.33 1 37 VAL -1.21 -4.38 1 38 LEU -3.61 -4.81 1 39 ASP -3.19 -4.84 1 40 SER 1.28 -2.23 1 41 GLN 3.83 -2.25 1 42 ASN 2.02 -2.14 1 45 ALA 3.89 -0.68 1 46 LYS 3.64 -1.56 1 47 GLU 1.29 0.10 1 48 LEU 4.33 -0.03 1 49 ALA 3.88 -0.70 1 50 ASN 3.35 -0.94 1 51 VAL 7.23 2.01 1 52 GLN 5.36 1.00 1 53 ASP 3.13 0.03 1 54 LEU 4.15 -0.64 1 55 THR 5.27 0.55 1 56 VAL 2.72 -1.86 1 57 ARG 0.63 -2.53 1 59 THR 3.58 -1.44 1 60 LYS 0.43 -2.36 1 61 ILE -2.93 -4.86 1 62 LEU -3.44 -4.53 1 63 LEU -1.69 -5.31 1 64 ILE -5.57 -5.68 1 67 THR 3.79 -1.54 1 68 ASP -2.75 -2.80 1 70 ASP 1.11 -1.57 1 71 ALA 3.00 -1.51 1 72 VAL 1.81 -2.68 1 73 ASP 4.90 0.30 1 74 ASN 4.41 -0.70 1 75 ALA 6.52 1.79 1 76 VAL 4.99 0.32 1 77 LYS 4.28 0.46 1 78 MET 5.48 0.12 1 79 ALA 3.03 -0.11 1 80 ASN 3.82 -0.63 1 81 GLN -0.41 -3.97 1 82 ALA 2.88 -2.07 1 83 ASN -2.53 -4.28 1 86 VAL 6.13 2.53 1 90 ASP -5.81 -5.02 1 91 ARG -2.67 -4.32 1 92 GLN -3.71 -5.18 1 93 ALA 3.43 -1.04 1 94 THR -4.42 -4.41 1 95 LYS 0.59 -3.15 1 97 GLU -3.25 -4.25 1 98 VAL 3.05 -0.64 1 99 VAL -1.98 -3.67 1 100 SER -5.60 -3.19 1 101 HIS -1.93 -4.40 1 102 ILE -5.58 -4.35 1 103 ALA 0.73 -3.24 1 104 SER 6.46 1.03 1 105 ASP 2.30 1.35 1 106 ASN 5.01 0.21 1 107 VAL 3.97 -0.86 1 108 LEU 4.56 0.46 1 111 LYS 5.54 1.24 1 112 ILE 3.75 0.10 1 113 ALA 4.48 0.04 1 115 ASP 5.40 1.29 1 116 TYR 6.63 1.67 1 117 ILE 5.35 -1.11 1 118 ALA 3.55 -0.74 1 119 LYS 0.44 -3.60 1 120 LYS 0.24 -3.13 1 121 ALA 0.86 -2.75 1 123 GLU 1.40 -2.74 1 125 ALA -0.02 -3.56 1 126 LYS -6.50 -6.76 1 127 VAL -5.16 -4.45 1 128 ILE -6.96 -6.44 1 129 GLU -2.26 -6.09 1 130 LEU -2.03 -4.74 1 131 GLN 3.42 -0.72 1 134 ALA 3.11 0.11 1 138 ALA 2.64 -1.12 1 139 ALA 4.54 0.29 1 140 ARG 0.91 -0.74 1 141 GLU 5.27 1.08 1 142 ARG 3.56 -0.32 1 144 GLU 5.17 1.43 1 146 PHE 4.85 -0.37 1 147 GLN 5.51 0.17 1 148 GLN 2.71 -1.10 1 149 ALA 5.49 0.57 1 150 VAL 2.86 -1.44 1 151 ALA 3.24 -1.14 1 152 ALA -1.31 -4.02 1 153 HIS 4.62 -3.20 1 154 LYS -0.93 -5.86 1 155 PHE -1.75 -4.61 1 156 ASN 2.62 -3.48 1 157 VAL 2.82 -2.07 1 158 LEU -4.56 -3.87 1 159 ALA -0.69 -4.83 1 160 SER -6.73 -6.23 1 161 GLN 0.70 -3.95 1 163 ALA 5.45 -0.37 1 164 ASP 2.71 -3.05 1 166 ASP 3.03 0.48 1 167 ARG 4.85 -1.17 1 168 ILE 5.42 0.49 1 169 LYS 4.37 0.74 1 171 LEU 3.78 0.73 1 172 ASN 5.47 0.98 1 173 VAL 2.28 -1.17 1 174 MET 4.81 0.96 1 175 GLN 3.13 -0.07 1 176 ASN 3.05 -0.47 1 177 LEU 2.67 -1.23 1 178 LEU 4.66 0.15 1 179 THR 0.49 -2.32 1 180 ALA -2.75 -5.23 1 181 HIS 0.48 -4.84 1 183 ASP 0.79 -1.47 1 185 GLN 0.38 -3.09 1 187 VAL 4.55 0.23 1 188 PHE 0.29 -1.90 1 189 ALA -1.53 -3.34 1 191 ASN 3.60 0.02 1 192 ASP 2.79 -0.11 1 193 GLU 4.89 1.66 1 194 MET 3.19 -0.62 1 195 ALA 5.06 -0.82 1 196 LEU 5.07 -0.32 1 198 ALA 3.45 -0.45 1 199 LEU 4.68 -0.54 1 200 ARG 3.13 -0.71 1 201 ALA 4.96 0.00 1 202 LEU 4.70 0.14 1 203 GLN 5.48 0.94 1 204 THR -0.78 -3.53 1 205 ALA -0.08 -5.11 1 207 LYS 1.05 -3.22 1 209 ASP 1.09 -2.65 1 210 VAL -0.80 -3.17 1 211 MET -1.24 -3.91 1 212 VAL -3.35 -4.66 1 213 VAL -1.82 -1.04 1 216 ASP 0.83 -3.55 1 218 THR 3.59 -0.35 1 220 ASP 4.31 0.54 1 222 GLU 4.51 0.07 1 223 LYS 3.24 -0.70 1 224 ALA 4.18 -0.67 1 225 VAL 4.28 0.32 1 226 ASN 0.58 -2.42 1 227 ASP 0.60 -2.38 1 229 LYS -3.99 -5.28 1 230 LEU 2.54 -0.31 1 231 ALA -5.34 -4.35 1 232 ALA 0.58 -4.68 1 233 THR 1.67 -5.21 1 234 ILE 0.16 -2.74 1 236 GLN -2.20 -6.56 1 237 LEU 4.56 -0.78 1 239 ASP 3.37 -1.06 1 240 GLN 6.49 2.00 1 241 ILE 3.96 0.11 1 243 ALA 3.42 -1.97 1 244 LYS 6.55 1.38 1 246 VAL 2.99 0.02 1 247 GLU 7.10 2.17 1 248 THR 3.48 -0.31 1 249 ALA 1.30 0.00 1 250 ASP 4.99 0.96 1 251 LYS 5.52 0.64 1 252 VAL 4.28 -0.80 1 253 LEU 1.06 -2.36 1 254 LYS -1.93 -4.37 1 256 GLU 1.01 -3.19 1 257 LYS -4.41 -5.97 1 258 VAL -0.45 -4.04 1 259 GLN 2.06 -1.83 1 260 ALA -3.84 -4.41 1 261 LYS -3.81 -5.69 1 262 TYR -1.11 -3.90 1 264 VAL 0.64 -1.16 1 265 ASP -4.94 -4.92 1 266 LEU -3.59 -3.99 1 267 LYS 1.09 -2.48 1 268 LEU 1.71 -2.29 1 269 VAL -6.15 -6.67 1 270 VAL 1.38 -2.36 1 271 LYS 0.61 -1.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 1.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -4.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.86 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 -5.11 _LACS_plot.Y_axis_chem_shift_offset 3.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 165 PHE -5.92 2.70 0 235 ALA -7.32 3.02 0 215 PHE 6.44 -1.55 0 10 SER 6.27 -5.44 1 11 THR -0.22 -4.53 1 12 LEU 0.58 -4.87 1 13 ASN 0.87 -4.16 1 14 ASN -5.60 -0.97 1 16 PHE 3.62 -2.63 1 17 PHE 3.48 -2.48 1 18 VAL 6.60 -4.81 1 19 SER 5.01 -4.21 1 20 LEU 3.93 -3.18 1 21 LYS 6.62 -6.17 1 22 ASP 4.67 -4.21 1 24 ALA 3.58 -4.67 1 25 GLN 3.89 -3.72 1 26 LYS 4.49 -4.42 1 27 GLU 2.56 -3.70 1 28 ALA 5.31 -4.79 1 29 ASP 3.75 -4.04 1 30 LYS 3.98 -3.91 1 31 LEU -0.09 -3.17 1 33 TYR -2.41 -0.42 1 34 ASN -1.20 -2.49 1 35 LEU -3.33 -1.59 1 36 VAL -1.69 -2.64 1 37 VAL -1.21 -3.17 1 38 LEU -3.61 -1.20 1 39 ASP -3.19 -1.65 1 40 SER 1.28 -3.51 1 41 GLN 3.83 -6.08 1 42 ASN 2.02 -4.16 1 45 ALA 3.89 -4.57 1 46 LYS 3.64 -5.20 1 47 GLU 1.29 -1.19 1 48 LEU 4.33 -4.36 1 49 ALA 3.88 -4.58 1 50 ASN 3.35 -4.29 1 51 VAL 7.23 -5.22 1 52 GLN 5.36 -4.36 1 53 ASP 3.13 -3.10 1 54 LEU 4.15 -4.79 1 55 THR 5.27 -4.72 1 56 VAL 2.72 -4.58 1 57 ARG 0.63 -3.16 1 59 THR 3.58 -5.02 1 60 LYS 0.43 -2.79 1 61 ILE -2.93 -1.93 1 62 LEU -3.44 -1.09 1 63 LEU -1.69 -3.62 1 64 ILE -5.57 -0.11 1 67 THR 3.79 -5.33 1 68 ASP -2.75 -0.05 1 70 ASP 1.11 -2.68 1 71 ALA 3.00 -4.51 1 72 VAL 1.81 -4.49 1 73 ASP 4.90 -4.60 1 74 ASN 4.41 -5.11 1 75 ALA 6.52 -4.73 1 76 VAL 4.99 -4.67 1 77 LYS 4.28 -3.82 1 78 MET 5.48 -5.36 1 79 ALA 3.03 -3.14 1 80 ASN 3.82 -4.45 1 81 GLN -0.41 -3.56 1 82 ALA 2.88 -4.95 1 83 ASN -2.53 -1.75 1 86 VAL 6.13 -3.60 1 90 ASP -5.81 0.79 1 91 ARG -2.67 -1.65 1 92 GLN -3.71 -1.47 1 93 ALA 3.43 -4.47 1 94 THR -4.42 0.01 1 95 LYS 0.59 -3.74 1 97 GLU -3.25 -1.00 1 98 VAL 3.05 -3.69 1 99 VAL -1.98 -1.69 1 100 SER -5.60 2.41 1 101 HIS -1.93 -2.47 1 102 ILE -5.58 1.23 1 103 ALA 0.73 -3.97 1 104 SER 6.46 -5.43 1 105 ASP 2.30 -0.95 1 106 ASN 5.01 -4.80 1 107 VAL 3.97 -4.83 1 108 LEU 4.56 -4.10 1 111 LYS 5.54 -4.30 1 112 ILE 3.75 -3.65 1 113 ALA 4.48 -4.44 1 115 ASP 5.40 -4.11 1 116 TYR 6.63 -4.96 1 117 ILE 5.35 -6.46 1 118 ALA 3.55 -4.29 1 119 LYS 0.44 -4.04 1 120 LYS 0.24 -3.37 1 121 ALA 0.86 -3.61 1 123 GLU 1.40 -4.14 1 125 ALA -0.02 -3.54 1 126 LYS -6.50 -0.26 1 127 VAL -5.16 0.71 1 128 ILE -6.96 0.52 1 129 GLU -2.26 -3.83 1 130 LEU -2.03 -2.71 1 131 GLN 3.42 -4.14 1 134 ALA 3.11 -3.00 1 138 ALA 2.64 -3.76 1 139 ALA 4.54 -4.25 1 140 ARG 0.91 -1.65 1 141 GLU 5.27 -4.19 1 142 ARG 3.56 -3.88 1 144 GLU 5.17 -3.74 1 146 PHE 4.85 -5.22 1 147 GLN 5.51 -5.34 1 148 GLN 2.71 -3.81 1 149 ALA 5.49 -4.92 1 150 VAL 2.86 -4.30 1 151 ALA 3.24 -4.38 1 152 ALA -1.31 -2.71 1 153 HIS 4.62 -7.82 1 154 LYS -0.93 -4.93 1 155 PHE -1.75 -2.86 1 156 ASN 2.62 -6.10 1 157 VAL 2.82 -4.89 1 158 LEU -4.56 0.69 1 159 ALA -0.69 -4.14 1 160 SER -6.73 0.50 1 161 GLN 0.70 -4.65 1 163 ALA 5.45 -5.82 1 164 ASP 2.71 -5.76 1 166 ASP 3.03 -2.55 1 167 ARG 4.85 -6.02 1 168 ILE 5.42 -4.93 1 169 LYS 4.37 -3.63 1 171 LEU 3.78 -3.05 1 172 ASN 5.47 -4.49 1 173 VAL 2.28 -3.45 1 174 MET 4.81 -3.85 1 175 GLN 3.13 -3.20 1 176 ASN 3.05 -3.52 1 177 LEU 2.67 -3.90 1 178 LEU 4.66 -4.51 1 179 THR 0.49 -2.81 1 180 ALA -2.75 -2.48 1 181 HIS 0.48 -5.32 1 183 ASP 0.79 -2.26 1 185 GLN 0.38 -3.47 1 187 VAL 4.55 -4.32 1 188 PHE 0.29 -2.19 1 189 ALA -1.53 -1.81 1 191 ASN 3.60 -3.58 1 192 ASP 2.79 -2.90 1 193 GLU 4.89 -3.23 1 194 MET 3.19 -3.81 1 195 ALA 5.06 -5.88 1 196 LEU 5.07 -5.39 1 198 ALA 3.45 -3.90 1 199 LEU 4.68 -5.22 1 200 ARG 3.13 -3.84 1 201 ALA 4.96 -4.96 1 202 LEU 4.70 -4.56 1 203 GLN 5.48 -4.54 1 204 THR -0.78 -2.75 1 205 ALA -0.08 -5.03 1 207 LYS 1.05 -4.27 1 209 ASP 1.09 -3.74 1 210 VAL -0.80 -2.37 1 211 MET -1.24 -2.67 1 212 VAL -3.35 -1.31 1 213 VAL -1.82 0.78 1 216 ASP 0.83 -4.38 1 218 THR 3.59 -3.94 1 220 ASP 4.31 -3.77 1 222 GLU 4.51 -4.44 1 223 LYS 3.24 -3.94 1 224 ALA 4.18 -4.85 1 225 VAL 4.28 -3.96 1 226 ASN 0.58 -3.00 1 227 ASP 0.60 -2.98 1 229 LYS -3.99 -1.29 1 230 LEU 2.54 -2.85 1 231 ALA -5.34 0.99 1 232 ALA 0.58 -5.26 1 233 THR 1.67 -6.88 1 234 ILE 0.16 -2.90 1 236 GLN -2.20 -4.36 1 237 LEU 4.56 -5.34 1 239 ASP 3.37 -4.43 1 240 GLN 6.49 -4.49 1 241 ILE 3.96 -3.85 1 243 ALA 3.42 -5.39 1 244 LYS 6.55 -5.17 1 246 VAL 2.99 -2.97 1 247 GLU 7.10 -4.93 1 248 THR 3.48 -3.79 1 249 ALA 1.30 -1.30 1 250 ASP 4.99 -4.03 1 251 LYS 5.52 -4.88 1 252 VAL 4.28 -5.08 1 253 LEU 1.06 -3.42 1 254 LYS -1.93 -2.44 1 256 GLU 1.01 -4.20 1 257 LYS -4.41 -1.56 1 258 VAL -0.45 -3.59 1 259 GLN 2.06 -3.89 1 260 ALA -3.84 -0.57 1 261 LYS -3.81 -1.88 1 262 TYR -1.11 -2.79 1 264 VAL 0.64 -1.80 1 265 ASP -4.94 0.02 1 266 LEU -3.59 -0.40 1 267 LYS 1.09 -3.57 1 268 LEU 1.71 -4.00 1 269 VAL -6.15 -0.52 1 270 VAL 1.38 -3.74 1 271 LYS 0.61 -2.28 1 stop_ save_