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 bmr6140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 4.06 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 TRP 4.23 -2.89 0 10 ALA -1.01 -0.29 1 13 ALA -3.93 -1.91 1 14 SER 0.84 0.99 1 21 ASP 2.13 2.03 1 23 VAL -1.63 0.69 1 24 ARG 0.27 0.72 1 25 LYS -5.50 -1.85 1 26 VAL -2.16 -0.53 1 27 HIS -2.83 -1.04 1 28 VAL -0.71 -0.28 1 30 GLN -1.94 -0.24 1 32 GLN 3.34 2.90 1 33 ASP -1.79 -0.20 1 35 VAL 2.17 1.28 1 36 SER -0.12 1.34 1 37 SER -3.24 -1.42 1 38 ILE -5.63 -1.57 1 39 ASN -2.62 -0.60 1 40 VAL -1.77 -0.44 1 41 VAL 0.41 -0.70 1 42 TYR -2.01 0.10 1 43 ALA -3.37 -1.73 1 44 LYS -1.80 -0.18 1 47 GLN -3.27 -1.28 1 48 ASP -0.93 -0.68 1 49 VAL -3.54 -1.24 1 50 GLU -0.74 -0.51 1 53 GLU -0.36 0.16 1 54 HIS -0.67 -1.81 1 56 LYS -3.01 -1.12 1 57 LYS 0.72 0.22 1 58 THR -3.12 -1.53 1 59 LEU 2.04 1.22 1 60 LEU 1.34 0.57 1 62 PHE -3.54 -1.56 1 63 GLU -5.83 -1.70 1 64 THR -0.95 0.93 1 65 PHE -2.07 -1.01 1 66 GLU -2.98 -1.57 1 67 VAL -0.70 -1.28 1 68 ASP 0.51 0.98 1 69 ALA 2.86 2.20 1 70 ASP 0.29 -1.05 1 71 ASP -7.87 -3.27 1 72 TYR -0.95 -1.02 1 73 ILE 2.53 2.60 1 74 VAL -2.76 -1.34 1 75 ALA -4.28 -0.81 1 76 VAL -3.67 -1.87 1 77 GLN -1.31 -0.69 1 78 VAL -2.34 -1.64 1 79 THR -4.39 -2.38 1 80 TYR -4.17 -1.41 1 81 ASP -5.12 -0.74 1 82 ASN -0.91 0.18 1 83 VAL -2.34 -1.10 1 84 PHE 2.67 1.96 1 86 GLN -2.15 -1.24 1 87 ASP 1.23 1.18 1 88 SER -2.36 -1.68 1 89 ASP 0.99 1.88 1 90 ILE -4.75 -1.43 1 91 ILE 2.42 -0.29 1 92 THR 0.73 0.25 1 93 SER -2.51 0.28 1 94 ILE -4.52 0.03 1 95 THR -1.61 0.23 1 96 PHE -3.84 -0.43 1 97 ASN -4.35 -0.58 1 98 THR -1.59 -1.61 1 99 PHE 4.12 2.84 1 100 LYS 2.26 0.56 1 102 LYS 0.24 -0.28 1 103 THR -2.12 -0.95 1 107 TYR 0.64 -0.13 1 109 LEU -2.93 -1.34 1 110 GLU 0.19 0.58 1 111 THR -0.98 -0.93 1 112 GLN 2.72 3.20 1 113 LYS 3.89 0.90 1 114 LYS -5.93 -1.70 1 115 PHE -3.02 -0.96 1 116 VAL -3.72 -1.91 1 117 LEU -2.62 -1.96 1 118 LYS -1.36 0.01 1 120 LYS 3.52 2.68 1 121 ASN -1.13 -0.35 1 124 LYS -3.15 -1.39 1 125 LEU 2.90 2.73 1 126 VAL -1.06 -1.55 1 128 PHE -3.53 0.07 1 129 HIS -4.85 -0.75 1 131 ARG -5.38 -0.39 1 132 ALA -4.65 -0.04 1 134 GLU 2.15 1.39 1 135 ALA -5.24 -2.75 1 136 LEU -0.35 -0.18 1 137 TYR -0.03 2.00 1 138 ALA -4.96 -1.18 1 139 LEU -6.85 -0.58 1 141 ALA -6.94 -1.25 1 142 TYR -5.66 -1.55 1 143 PHE -5.58 -1.28 1 144 ALA -3.54 -1.18 1 145 THR 0.09 0.05 1 146 THR -0.70 -0.51 1 147 THR -0.48 -0.31 1 150 VAL 0.13 -0.02 1 153 ALA -2.25 -1.05 1 154 LYS -2.85 -1.09 1 155 LYS -0.83 -0.02 1 156 LEU -0.31 -1.36 1 157 SER 2.13 1.47 1 158 ALA -1.87 -1.45 1 159 ILE -4.53 -2.53 1 162 ASP -0.72 -0.90 1 163 GLU -1.47 -0.43 1 165 THR -0.43 0.28 1 166 ALA 0.22 0.32 1 168 ASP -0.37 0.53 1 169 ASP 2.95 2.24 1 171 ALA -4.84 -2.51 1 172 TYR -1.71 -0.36 1 173 ASP 1.25 2.15 1 175 VAL -0.48 0.27 1 176 LYS -1.50 -0.34 1 177 LYS -3.57 0.47 1 178 VAL -3.27 -1.59 1 179 TYR -2.64 -2.53 1 180 VAL -2.70 -0.80 1 182 GLN -1.51 0.43 1 184 GLN 3.30 2.84 1 185 ASP -0.90 0.68 1 187 ILE 2.19 -0.23 1 188 SER 0.15 1.75 1 189 ALA -6.32 -1.80 1 190 VAL -7.17 -3.45 1 191 LYS -2.50 -0.38 1 192 PHE -5.71 -0.95 1 193 GLU -4.52 -1.92 1 195 ASN -3.91 -0.21 1 196 LYS -2.43 -0.46 1 198 ALA -0.19 -0.23 1 199 GLU -2.64 -0.70 1 200 ASN -1.75 -0.36 1 201 ILE -2.97 -1.63 1 202 VAL 1.52 0.37 1 205 GLU -1.32 -0.17 1 206 HIS -0.22 -1.48 1 210 THR -3.32 -1.64 1 211 LEU 3.55 2.30 1 212 LEU 1.88 0.85 1 214 PHE -2.59 0.11 1 215 GLU -3.29 -0.92 1 216 GLU -6.34 -1.96 1 217 PHE -3.47 -1.15 1 218 GLU -2.22 -0.52 1 219 ILE -2.00 -1.08 1 220 ASP 0.71 -1.42 1 223 SER 4.15 3.35 1 224 GLU -6.48 -3.70 1 225 TYR -5.31 -3.89 1 226 ILE 1.57 1.43 1 227 THR 1.08 0.50 1 228 ALA -3.90 0.19 1 229 VAL -3.05 -1.05 1 230 GLU -6.73 -3.40 1 232 THR -5.41 -2.08 1 233 TYR -5.38 -1.72 1 234 ASP -7.49 -2.06 1 235 LYS -0.91 -0.47 1 236 ILE -0.46 0.03 1 237 PHE 3.65 2.73 1 239 SER -3.02 -1.59 1 240 ASP -0.14 0.31 1 242 LEU -4.12 -1.17 1 243 ILE -5.98 -2.01 1 244 ILE 1.71 -1.37 1 245 THR 0.15 0.08 1 246 MET -1.14 -0.33 1 247 LEU -7.68 -0.75 1 248 ARG -3.33 -0.01 1 249 PHE -2.44 0.03 1 250 LYS -1.61 -0.32 1 251 THR -5.01 -3.46 1 252 ASN 6.01 2.15 1 253 LYS -2.00 0.52 1 254 GLN -2.99 -0.61 1 255 THR -1.07 -0.04 1 256 SER -0.16 0.71 1 259 PHE -0.83 -0.90 1 261 LEU -2.40 -1.18 1 262 GLU 0.66 0.19 1 263 ALA -0.62 0.58 1 265 THR 0.96 1.24 1 266 ALA -1.91 -0.98 1 267 PHE -5.23 -1.40 1 268 GLU -4.72 -1.14 1 269 LEU -2.92 -1.51 1 270 LYS -2.00 -0.49 1 271 GLU -2.47 -0.06 1 274 HIS -2.89 0.50 1 275 LYS -5.99 -3.41 1 276 ILE 1.51 1.04 1 277 VAL -1.04 -1.64 1 279 PHE -4.85 -0.62 1 280 HIS -4.93 -1.24 1 282 LYS -4.11 0.69 1 283 ALA -4.46 -0.45 1 285 GLU 2.63 1.97 1 286 LEU -4.98 -2.03 1 287 LEU -0.70 0.02 1 288 HIS 0.89 3.15 1 289 GLN -6.55 -1.82 1 290 PHE -4.83 0.31 1 292 VAL -7.53 -4.40 1 293 HIS -5.88 0.16 1 294 VAL -6.66 -3.60 1 297 LEU 0.45 0.37 1 298 THR -0.99 -0.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 5.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 TRP 4.23 -7.12 0 10 ALA -1.01 0.72 1 13 ALA -3.93 2.02 1 14 SER 0.84 0.15 1 21 ASP 2.13 -0.10 1 23 VAL -1.63 2.32 1 24 ARG 0.27 0.45 1 25 LYS -5.50 3.65 1 26 VAL -2.16 1.63 1 27 HIS -2.83 1.79 1 28 VAL -0.71 0.43 1 30 GLN -1.94 1.70 1 32 GLN 3.34 -0.44 1 33 ASP -1.79 1.59 1 35 VAL 2.17 -0.89 1 36 SER -0.12 1.46 1 37 SER -3.24 1.82 1 38 ILE -5.63 4.06 1 39 ASN -2.62 2.02 1 40 VAL -1.77 1.33 1 41 VAL 0.41 -1.11 1 42 TYR -2.01 2.11 1 43 ALA -3.37 1.64 1 44 LYS -1.80 1.62 1 47 GLN -3.27 1.99 1 48 ASP -0.93 0.25 1 49 VAL -3.54 2.30 1 50 GLU -0.74 0.23 1 53 GLU -0.36 0.52 1 54 HIS -0.67 -1.14 1 56 LYS -3.01 1.89 1 57 LYS 0.72 -0.50 1 58 THR -3.12 1.59 1 59 LEU 2.04 -0.82 1 60 LEU 1.34 -0.77 1 62 PHE -3.54 1.98 1 63 GLU -5.83 4.13 1 64 THR -0.95 1.88 1 65 PHE -2.07 1.06 1 66 GLU -2.98 1.41 1 67 VAL -0.70 -0.58 1 68 ASP 0.51 0.47 1 69 ALA 2.86 -0.66 1 70 ASP 0.29 -1.34 1 71 ASP -7.87 4.60 1 72 TYR -0.95 -0.07 1 73 ILE 2.53 0.07 1 74 VAL -2.76 1.42 1 75 ALA -4.28 3.47 1 76 VAL -3.67 1.80 1 77 GLN -1.31 0.62 1 78 VAL -2.34 0.70 1 79 THR -4.39 2.01 1 80 TYR -4.17 2.76 1 81 ASP -5.12 4.38 1 82 ASN -0.91 1.09 1 83 VAL -2.34 1.24 1 84 PHE 2.67 -0.71 1 86 GLN -2.15 0.91 1 87 ASP 1.23 -0.05 1 88 SER -2.36 0.68 1 89 ASP 0.99 0.89 1 90 ILE -4.75 3.32 1 91 ILE 2.42 -2.71 1 92 THR 0.73 -0.48 1 93 SER -2.51 2.79 1 94 ILE -4.52 4.55 1 95 THR -1.61 1.84 1 96 PHE -3.84 3.41 1 97 ASN -4.35 3.77 1 98 THR -1.59 -0.02 1 99 PHE 4.12 -1.28 1 100 LYS 2.26 -1.70 1 102 LYS 0.24 -0.52 1 103 THR -2.12 1.17 1 107 TYR 0.64 -0.77 1 109 LEU -2.93 1.59 1 110 GLU 0.19 0.39 1 111 THR -0.98 0.05 1 112 GLN 2.72 0.48 1 113 LYS 3.89 -2.99 1 114 LYS -5.93 4.23 1 115 PHE -3.02 2.06 1 116 VAL -3.72 1.81 1 117 LEU -2.62 0.66 1 118 LYS -1.36 1.37 1 120 LYS 3.52 -0.84 1 121 ASN -1.13 0.78 1 124 LYS -3.15 1.76 1 125 LEU 2.90 -0.17 1 126 VAL -1.06 -0.49 1 128 PHE -3.53 3.60 1 129 HIS -4.85 4.10 1 131 ARG -5.38 4.99 1 132 ALA -4.65 4.61 1 134 GLU 2.15 -0.76 1 135 ALA -5.24 2.49 1 136 LEU -0.35 0.17 1 137 TYR -0.03 2.03 1 138 ALA -4.96 3.78 1 139 LEU -6.85 6.27 1 141 ALA -6.94 5.69 1 142 TYR -5.66 4.11 1 143 PHE -5.58 4.30 1 144 ALA -3.54 2.36 1 145 THR 0.09 -0.04 1 146 THR -0.70 0.19 1 147 THR -0.48 0.17 1 150 VAL 0.13 -0.15 1 153 ALA -2.25 1.20 1 154 LYS -2.85 1.76 1 155 LYS -0.83 0.81 1 156 LEU -0.31 -1.05 1 157 SER 2.13 -0.66 1 158 ALA -1.87 0.42 1 159 ILE -4.53 2.00 1 162 ASP -0.72 -0.18 1 163 GLU -1.47 1.04 1 165 THR -0.43 0.71 1 166 ALA 0.22 0.10 1 168 ASP -0.37 0.90 1 169 ASP 2.95 -0.71 1 171 ALA -4.84 2.33 1 172 TYR -1.71 1.35 1 173 ASP 1.25 0.90 1 175 VAL -0.48 0.75 1 176 LYS -1.50 1.16 1 177 LYS -3.57 4.04 1 178 VAL -3.27 1.68 1 179 TYR -2.64 0.11 1 180 VAL -2.70 1.90 1 182 GLN -1.51 1.94 1 184 GLN 3.30 -0.46 1 185 ASP -0.90 1.58 1 187 ILE 2.19 -2.42 1 188 SER 0.15 1.60 1 189 ALA -6.32 4.52 1 190 VAL -7.17 3.72 1 191 LYS -2.50 2.12 1 192 PHE -5.71 4.76 1 193 GLU -4.52 2.60 1 195 ASN -3.91 3.70 1 196 LYS -2.43 1.97 1 198 ALA -0.19 -0.04 1 199 GLU -2.64 1.94 1 200 ASN -1.75 1.39 1 201 ILE -2.97 1.34 1 202 VAL 1.52 -1.15 1 205 GLU -1.32 1.15 1 206 HIS -0.22 -1.26 1 210 THR -3.32 1.68 1 211 LEU 3.55 -1.25 1 212 LEU 1.88 -1.03 1 214 PHE -2.59 2.70 1 215 GLU -3.29 2.37 1 216 GLU -6.34 4.38 1 217 PHE -3.47 2.32 1 218 GLU -2.22 1.70 1 219 ILE -2.00 0.92 1 220 ASP 0.71 -2.13 1 223 SER 4.15 -0.80 1 224 GLU -6.48 2.78 1 225 TYR -5.31 1.42 1 226 ILE 1.57 -0.14 1 227 THR 1.08 -0.58 1 228 ALA -3.90 4.09 1 229 VAL -3.05 2.00 1 230 GLU -6.73 3.33 1 232 THR -5.41 3.33 1 233 TYR -5.38 3.66 1 234 ASP -7.49 5.43 1 235 LYS -0.91 0.44 1 236 ILE -0.46 0.49 1 237 PHE 3.65 -0.92 1 239 SER -3.02 1.43 1 240 ASP -0.14 0.45 1 242 LEU -4.12 2.95 1 243 ILE -5.98 3.97 1 244 ILE 1.71 -3.08 1 245 THR 0.15 -0.07 1 246 MET -1.14 0.81 1 247 LEU -7.68 6.93 1 248 ARG -3.33 3.32 1 249 PHE -2.44 2.47 1 250 LYS -1.61 1.29 1 251 THR -5.01 1.55 1 252 ASN 6.01 -3.86 1 253 LYS -2.00 2.52 1 254 GLN -2.99 2.38 1 255 THR -1.07 1.03 1 256 SER -0.16 0.87 1 259 PHE -0.83 -0.07 1 261 LEU -2.40 1.22 1 262 GLU 0.66 -0.47 1 263 ALA -0.62 1.20 1 265 THR 0.96 0.28 1 266 ALA -1.91 0.93 1 267 PHE -5.23 3.83 1 268 GLU -4.72 3.58 1 269 LEU -2.92 1.41 1 270 LYS -2.00 1.51 1 271 GLU -2.47 2.41 1 274 HIS -2.89 3.39 1 275 LYS -5.99 2.58 1 276 ILE 1.51 -0.47 1 277 VAL -1.04 -0.60 1 279 PHE -4.85 4.23 1 280 HIS -4.93 3.69 1 282 LYS -4.11 4.80 1 283 ALA -4.46 4.01 1 285 GLU 2.63 -0.66 1 286 LEU -4.98 2.95 1 287 LEU -0.70 0.72 1 288 HIS 0.89 2.26 1 289 GLN -6.55 4.73 1 290 PHE -4.83 5.14 1 292 VAL -7.53 3.13 1 293 HIS -5.88 6.04 1 294 VAL -6.66 3.06 1 297 LEU 0.45 -0.08 1 298 THR -0.99 0.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 0.90 _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 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 280 HIS -4.93 -0.94 0 10 ALA -1.01 -0.16 1 13 ALA -3.93 0.44 1 14 SER 0.84 0.38 1 21 ASP 2.13 -0.03 1 25 LYS -5.50 0.62 1 26 VAL -2.16 -0.17 1 27 HIS -2.83 0.64 1 28 VAL -0.71 0.26 1 30 GLN -1.94 0.30 1 32 GLN 3.34 -0.42 1 33 ASP -1.79 0.06 1 35 VAL 2.17 -0.17 1 36 SER -0.12 -0.18 1 37 SER -3.24 0.71 1 38 ILE -5.63 0.91 1 39 ASN -2.62 -0.09 1 40 VAL -1.77 -0.17 1 41 VAL 0.41 0.09 1 42 TYR -2.01 0.08 1 43 ALA -3.37 0.54 1 44 LYS -1.80 0.06 1 47 GLN -3.27 0.19 1 48 ASP -0.93 0.59 1 50 GLU -0.74 0.28 1 53 GLU -0.36 -0.65 1 54 HIS -0.67 -0.15 1 56 LYS -3.01 -0.01 1 57 LYS 0.72 -0.20 1 58 THR -3.12 0.28 1 59 LEU 2.04 -0.17 1 60 LEU 1.34 -0.20 1 62 PHE -3.54 0.62 1 63 GLU -5.83 0.30 1 64 THR -0.95 0.87 1 65 PHE -2.07 0.22 1 66 GLU -2.98 -0.16 1 67 VAL -0.70 -0.47 1 68 ASP 0.51 -0.28 1 69 ALA 2.86 -0.28 1 70 ASP 0.29 -0.03 1 71 ASP -7.87 0.56 1 72 TYR -0.95 0.28 1 73 ILE 2.53 -0.04 1 74 VAL -2.76 0.99 1 75 ALA -4.28 1.31 1 76 VAL -3.67 0.59 1 77 GLN -1.31 0.27 1 78 VAL -2.34 0.56 1 79 THR -4.39 1.46 1 80 TYR -4.17 1.05 1 81 ASP -5.12 0.13 1 82 ASN -0.91 0.27 1 83 VAL -2.34 0.05 1 84 PHE 2.67 -0.36 1 86 GLN -2.15 0.17 1 87 ASP 1.23 -0.19 1 88 SER -2.36 -0.02 1 89 ASP 0.99 0.21 1 90 ILE -4.75 0.75 1 91 ILE 2.42 0.11 1 92 THR 0.73 0.20 1 93 SER -2.51 1.01 1 94 ILE -4.52 0.19 1 95 THR -1.61 -0.32 1 96 PHE -3.84 0.31 1 97 ASN -4.35 1.11 1 98 THR -1.59 1.18 1 100 LYS 2.26 -0.59 1 102 LYS 0.24 0.12 1 103 THR -2.12 0.95 1 107 TYR 0.64 -0.07 1 109 LEU -2.93 0.00 1 110 GLU 0.19 -0.41 1 111 THR -0.98 0.19 1 112 GLN 2.72 -0.46 1 113 LYS 3.89 -0.21 1 114 LYS -5.93 1.22 1 115 PHE -3.02 0.33 1 116 VAL -3.72 0.80 1 118 LYS -1.36 -0.18 1 120 LYS 3.52 -0.37 1 121 ASN -1.13 0.16 1 124 LYS -3.15 0.14 1 125 LEU 2.90 -0.29 1 128 PHE -3.53 0.88 1 129 HIS -4.85 -0.77 1 131 ARG -5.38 1.01 1 132 ALA -4.65 1.00 1 134 GLU 2.15 -0.27 1 135 ALA -5.24 0.36 1 137 TYR -0.03 0.20 1 138 ALA -4.96 0.94 1 139 LEU -6.85 0.62 1 141 ALA -6.94 0.63 1 142 TYR -5.66 0.82 1 143 PHE -5.58 0.82 1 144 ALA -3.54 0.38 1 145 THR 0.09 -0.04 1 146 THR -0.70 -0.01 1 147 THR -0.48 -0.04 1 150 VAL 0.13 -0.11 1 153 ALA -2.25 0.34 1 154 LYS -2.85 0.16 1 155 LYS -0.83 -0.19 1 156 LEU -0.31 0.15 1 157 SER 2.13 -0.50 1 158 ALA -1.87 -0.23 1 159 ILE -4.53 -0.12 1 162 ASP -0.72 -0.17 1 163 GLU -1.47 -0.30 1 165 THR -0.43 0.14 1 166 ALA 0.22 0.48 1 168 ASP -0.37 -0.07 1 169 ASP 2.95 0.32 1 171 ALA -4.84 -0.35 1 172 TYR -1.71 -0.13 1 173 ASP 1.25 0.23 1 175 VAL -0.48 0.21 1 176 LYS -1.50 0.35 1 177 LYS -3.57 0.31 1 178 VAL -3.27 -0.07 1 179 TYR -2.64 0.57 1 180 VAL -2.70 0.39 1 182 GLN -1.51 0.12 1 184 GLN 3.30 -0.39 1 185 ASP -0.90 0.01 1 187 ILE 2.19 -0.21 1 188 SER 0.15 -0.05 1 189 ALA -6.32 1.07 1 190 VAL -7.17 0.91 1 191 LYS -2.50 -0.09 1 192 PHE -5.71 0.50 1 193 GLU -4.52 0.64 1 195 ASN -3.91 0.54 1 196 LYS -2.43 0.21 1 198 ALA -0.19 0.09 1 199 GLU -2.64 -0.01 1 200 ASN -1.75 0.36 1 201 ILE -2.97 0.08 1 202 VAL 1.52 -0.11 1 205 GLU -1.32 -0.62 1 210 THR -3.32 0.19 1 211 LEU 3.55 -0.29 1 212 LEU 1.88 -0.33 1 214 PHE -2.59 0.18 1 215 GLU -3.29 0.23 1 216 GLU -6.34 0.71 1 217 PHE -3.47 0.29 1 218 GLU -2.22 -0.17 1 219 ILE -2.00 -0.52 1 220 ASP 0.71 0.14 1 223 SER 4.15 -0.40 1 224 GLU -6.48 0.85 1 225 TYR -5.31 0.46 1 226 ILE 1.57 0.27 1 227 THR 1.08 0.38 1 228 ALA -3.90 0.77 1 229 VAL -3.05 0.46 1 230 GLU -6.73 0.46 1 232 THR -5.41 1.17 1 233 TYR -5.38 1.26 1 234 ASP -7.49 0.49 1 235 LYS -0.91 0.42 1 236 ILE -0.46 -0.26 1 237 PHE 3.65 -0.47 1 239 SER -3.02 0.16 1 240 ASP -0.14 0.09 1 242 LEU -4.12 0.85 1 243 ILE -5.98 0.73 1 244 ILE 1.71 0.28 1 245 THR 0.15 0.06 1 246 MET -1.14 0.79 1 247 LEU -7.68 0.51 1 248 ARG -3.33 -0.19 1 249 PHE -2.44 0.17 1 250 LYS -1.61 0.66 1 251 THR -5.01 1.44 1 252 ASN 6.01 -0.30 1 253 LYS -2.00 0.16 1 254 GLN -2.99 0.52 1 255 THR -1.07 0.58 1 256 SER -0.16 -0.58 1 259 PHE -0.83 0.05 1 261 LEU -2.40 -0.07 1 262 GLU 0.66 -0.69 1 263 ALA -0.62 -0.08 1 265 THR 0.96 -0.45 1 266 ALA -1.91 0.59 1 267 PHE -5.23 0.38 1 268 GLU -4.72 0.67 1 269 LEU -2.92 0.43 1 270 LYS -2.00 0.00 1 271 GLU -2.47 -0.02 1 274 HIS -2.89 0.36 1 275 LYS -5.99 0.94 1 276 ILE 1.51 0.38 1 277 VAL -1.04 0.30 1 279 PHE -4.85 0.70 1 282 LYS -4.11 0.83 1 283 ALA -4.46 1.26 1 285 GLU 2.63 -0.05 1 286 LEU -4.98 0.70 1 287 LEU -0.70 -0.15 1 288 HIS 0.89 0.12 1 289 GLN -6.55 0.76 1 290 PHE -4.83 0.47 1 292 VAL -7.53 0.97 1 293 HIS -5.88 0.58 1 294 VAL -6.66 1.59 1 297 LEU 0.45 -0.41 1 298 THR -0.99 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 0.56 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 293 HIS -5.88 2.69 0 10 ALA -1.01 0.64 1 13 ALA -3.93 0.94 1 14 SER 0.84 -1.11 1 21 ASP 2.13 0.17 1 23 VAL -1.63 -1.95 1 24 ARG 0.27 -0.34 1 25 LYS -5.50 -3.13 1 26 VAL -2.16 -2.78 1 27 HIS -2.83 1.39 1 28 VAL -0.71 -0.20 1 30 GLN -1.94 -0.73 1 32 GLN 3.34 0.50 1 33 ASP -1.79 -2.00 1 35 VAL 2.17 -0.95 1 36 SER -0.12 -0.88 1 37 SER -3.24 -1.99 1 38 ILE -5.63 -4.52 1 39 ASN -2.62 -2.55 1 40 VAL -1.77 -2.85 1 41 VAL 0.41 -1.11 1 42 TYR -2.01 -1.81 1 43 ALA -3.37 -0.87 1 44 LYS -1.80 -1.31 1 47 GLN -3.27 -1.21 1 48 ASP -0.93 0.34 1 49 VAL -3.54 -1.91 1 50 GLU -0.74 1.25 1 53 GLU -0.36 -0.53 1 54 HIS -0.67 -0.81 1 56 LYS -3.01 -1.74 1 57 LYS 0.72 0.24 1 58 THR -3.12 1.01 1 59 LEU 2.04 0.31 1 60 LEU 1.34 0.32 1 62 PHE -3.54 -1.16 1 63 GLU -5.83 -1.00 1 64 THR -0.95 -1.00 1 65 PHE -2.07 -2.30 1 66 GLU -2.98 -3.09 1 67 VAL -0.70 -0.12 1 68 ASP 0.51 0.96 1 69 ALA 2.86 0.48 1 70 ASP 0.29 -2.61 1 71 ASP -7.87 -1.74 1 72 TYR -0.95 -1.41 1 73 ILE 2.53 -1.53 1 74 VAL -2.76 -1.04 1 75 ALA -4.28 -2.14 1 76 VAL -3.67 -1.45 1 77 GLN -1.31 -1.03 1 78 VAL -2.34 -0.96 1 79 THR -4.39 -0.31 1 80 TYR -4.17 -3.02 1 81 ASP -5.12 -1.83 1 82 ASN -0.91 -0.42 1 83 VAL -2.34 -0.51 1 84 PHE 2.67 1.17 1 86 GLN -2.15 0.00 1 87 ASP 1.23 -0.41 1 88 SER -2.36 0.11 1 89 ASP 0.99 -0.78 1 90 ILE -4.75 -1.30 1 91 ILE 2.42 -0.69 1 92 THR 0.73 0.72 1 93 SER -2.51 -2.52 1 94 ILE -4.52 -3.09 1 95 THR -1.61 -1.91 1 96 PHE -3.84 -1.60 1 97 ASN -4.35 1.06 1 98 THR -1.59 1.52 1 99 PHE 4.12 1.94 1 100 LYS 2.26 -0.19 1 102 LYS 0.24 -0.16 1 103 THR -2.12 0.16 1 107 TYR 0.64 -0.36 1 109 LEU -2.93 -3.18 1 110 GLU 0.19 0.58 1 111 THR -0.98 -0.51 1 112 GLN 2.72 0.86 1 113 LYS 3.89 -1.85 1 114 LYS -5.93 -0.35 1 115 PHE -3.02 -3.77 1 116 VAL -3.72 -0.42 1 117 LEU -2.62 -3.42 1 118 LYS -1.36 -3.90 1 120 LYS 3.52 0.00 1 121 ASN -1.13 0.43 1 124 LYS -3.15 -0.44 1 125 LEU 2.90 0.27 1 126 VAL -1.06 -1.81 1 128 PHE -3.53 -3.08 1 129 HIS -4.85 -2.68 1 131 ARG -5.38 1.08 1 132 ALA -4.65 -2.36 1 134 GLU 2.15 -3.03 1 135 ALA -5.24 -2.72 1 136 LEU -0.35 -3.47 1 137 TYR -0.03 -1.71 1 138 ALA -4.96 -1.75 1 139 LEU -6.85 -4.10 1 141 ALA -6.94 -3.98 1 142 TYR -5.66 -0.47 1 143 PHE -5.58 -0.92 1 144 ALA -3.54 -1.03 1 145 THR 0.09 0.07 1 146 THR -0.70 -0.11 1 147 THR -0.48 -0.44 1 150 VAL 0.13 -0.13 1 153 ALA -2.25 -0.94 1 154 LYS -2.85 -2.39 1 155 LYS -0.83 -0.18 1 156 LEU -0.31 -0.22 1 157 SER 2.13 -0.63 1 158 ALA -1.87 -1.65 1 159 ILE -4.53 -2.50 1 162 ASP -0.72 -0.66 1 163 GLU -1.47 -3.48 1 165 THR -0.43 0.89 1 166 ALA 0.22 -1.47 1 167 TRP 4.23 -1.80 1 168 ASP -0.37 0.36 1 169 ASP 2.95 0.42 1 171 ALA -4.84 -0.97 1 172 TYR -1.71 -1.83 1 173 ASP 1.25 1.17 1 175 VAL -0.48 -2.95 1 176 LYS -1.50 -0.95 1 177 LYS -3.57 -3.58 1 178 VAL -3.27 -3.61 1 179 TYR -2.64 -0.90 1 180 VAL -2.70 -0.94 1 182 GLN -1.51 -0.46 1 184 GLN 3.30 0.53 1 185 ASP -0.90 -1.82 1 187 ILE 2.19 -2.19 1 188 SER 0.15 -1.77 1 189 ALA -6.32 -1.87 1 190 VAL -7.17 -2.90 1 191 LYS -2.50 -4.16 1 192 PHE -5.71 -1.26 1 193 GLU -4.52 -1.10 1 195 ASN -3.91 -0.86 1 196 LYS -2.43 -0.74 1 198 ALA -0.19 -0.49 1 199 GLU -2.64 -1.48 1 200 ASN -1.75 -0.93 1 201 ILE -2.97 -1.62 1 202 VAL 1.52 0.09 1 205 GLU -1.32 -0.87 1 206 HIS -0.22 -0.01 1 210 THR -3.32 2.08 1 211 LEU 3.55 0.33 1 212 LEU 1.88 0.92 1 214 PHE -2.59 1.08 1 215 GLU -3.29 -1.26 1 216 GLU -6.34 -0.65 1 217 PHE -3.47 -3.08 1 218 GLU -2.22 -3.05 1 219 ILE -2.00 -0.50 1 220 ASP 0.71 -1.36 1 223 SER 4.15 -1.60 1 224 GLU -6.48 -3.02 1 225 TYR -5.31 -1.98 1 226 ILE 1.57 -0.29 1 227 THR 1.08 1.07 1 228 ALA -3.90 -2.38 1 229 VAL -3.05 -1.95 1 230 GLU -6.73 -2.65 1 232 THR -5.41 0.78 1 233 TYR -5.38 -3.10 1 234 ASP -7.49 -1.86 1 235 LYS -0.91 0.43 1 236 ILE -0.46 -0.54 1 237 PHE 3.65 1.43 1 239 SER -3.02 -1.70 1 240 ASP -0.14 0.32 1 242 LEU -4.12 -1.46 1 243 ILE -5.98 -1.84 1 244 ILE 1.71 -0.80 1 245 THR 0.15 -0.95 1 246 MET -1.14 -2.08 1 247 LEU -7.68 -2.59 1 248 ARG -3.33 -3.01 1 249 PHE -2.44 -2.34 1 250 LYS -1.61 -0.76 1 251 THR -5.01 -0.70 1 252 ASN 6.01 -0.40 1 253 LYS -2.00 -1.10 1 254 GLN -2.99 -3.34 1 255 THR -1.07 -0.32 1 256 SER -0.16 -1.38 1 259 PHE -0.83 -0.81 1 261 LEU -2.40 -3.28 1 262 GLU 0.66 -1.51 1 263 ALA -0.62 -2.53 1 265 THR 0.96 -1.57 1 266 ALA -1.91 -0.37 1 267 PHE -5.23 -2.71 1 268 GLU -4.72 -2.06 1 269 LEU -2.92 -3.09 1 270 LYS -2.00 -3.08 1 271 GLU -2.47 -1.73 1 274 HIS -2.89 0.16 1 275 LYS -5.99 -1.70 1 276 ILE 1.51 -0.20 1 277 VAL -1.04 -2.72 1 279 PHE -4.85 -4.23 1 280 HIS -4.93 -3.16 1 282 LYS -4.11 0.10 1 283 ALA -4.46 -1.82 1 285 GLU 2.63 -2.39 1 286 LEU -4.98 -1.83 1 287 LEU -0.70 -3.22 1 288 HIS 0.89 0.04 1 289 GLN -6.55 -0.90 1 290 PHE -4.83 -3.88 1 292 VAL -7.53 -1.58 1 294 VAL -6.66 -1.69 1 297 LEU 0.45 -0.37 1 298 THR -0.99 -1.41 1 stop_ save_