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 bmr17250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 -3.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.13 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 5.67 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 279 ALA 0.44 -3.55 0 204 ARG -7.05 -1.57 0 57 MET -5.71 -0.21 0 264 PHE 3.81 -1.63 0 197 ALA 0.91 -3.69 0 10 ALA 3.50 2.60 1 11 ALA 3.20 2.60 1 12 ALA -2.70 -1.80 1 13 LEU -3.90 -1.72 1 14 ALA 2.50 0.50 1 15 LEU 2.96 1.77 1 16 ILE 0.85 0.38 1 17 LEU 2.60 0.00 1 18 ALA 0.26 -0.34 1 19 ALA 2.00 1.90 1 23 GLN 5.12 4.33 1 24 LYS 4.19 3.13 1 25 ASP -0.50 1.20 1 26 SER 5.50 4.00 1 27 ALA 3.61 4.45 1 29 ALA -0.31 -0.38 1 30 ALA -3.65 -0.74 1 31 SER -4.30 -2.60 1 32 ALA 2.50 1.84 1 33 SER -0.10 0.00 1 34 ALA 3.18 2.29 1 35 ALA 2.85 1.48 1 36 ALA -0.20 -0.50 1 37 ASP 3.11 2.25 1 38 ASN 0.08 -0.63 1 40 ALA -3.20 -0.60 1 41 ALA 4.15 2.77 1 42 LYS 4.04 2.86 1 43 LYS 3.81 2.95 1 44 GLU 3.48 2.58 1 45 ILE 5.33 1.62 1 46 VAL 5.53 4.27 1 47 PHE 1.86 -0.01 1 49 THR 6.99 5.91 1 50 THR -3.58 -2.44 1 51 VAL -1.43 -1.15 1 53 ASP 3.10 3.10 1 54 PHE 4.32 5.34 1 56 ASP -2.60 -1.30 1 58 VAL 5.80 4.30 1 59 LYS 4.00 3.80 1 60 GLU 0.99 2.62 1 61 GLN -1.70 -1.23 1 62 ILE 0.55 -2.15 1 63 GLN -0.40 -1.30 1 64 ALA 3.42 2.60 1 65 GLU -1.90 -1.09 1 66 LEU -3.08 -0.98 1 67 GLU 4.30 3.80 1 68 LYS -5.72 -1.47 1 69 LYS 0.80 0.75 1 71 TYR -3.74 -1.59 1 72 THR 3.34 2.71 1 73 VAL -1.16 -0.37 1 74 LYS 3.43 3.03 1 75 LEU 3.06 2.49 1 76 VAL -0.90 -1.20 1 77 GLU 3.10 2.30 1 78 PHE 2.03 2.12 1 79 THR 0.40 -0.40 1 80 ASP 5.97 4.44 1 81 TYR 3.56 3.85 1 82 VAL 0.48 0.18 1 83 ARG 6.39 6.99 1 85 ASN -3.10 -0.90 1 86 LEU 2.65 2.79 1 87 ALA 0.72 1.55 1 88 LEU -0.72 -0.03 1 89 ALA 3.80 3.40 1 90 GLU 3.50 2.70 1 92 GLU -5.20 -2.10 1 93 LEU -3.90 -1.80 1 94 ASP -2.90 -1.00 1 95 ILE 6.05 5.56 1 96 ASN -2.40 -0.80 1 97 VAL -4.50 -1.30 1 98 PHE 3.58 3.40 1 99 GLN 3.11 2.13 1 100 HIS 4.32 4.44 1 101 LYS 1.19 2.69 1 103 TYR 0.57 -0.24 1 104 LEU 3.65 2.53 1 105 ASP -1.62 -1.24 1 106 ASP 2.94 3.22 1 107 PHE -2.87 -2.71 1 108 LYS 4.94 3.82 1 109 LYS 6.30 5.20 1 110 GLU 3.20 3.20 1 111 HIS 3.82 4.12 1 112 ASN 3.67 2.62 1 113 LEU -3.30 -2.50 1 114 ASP -1.41 -2.03 1 115 ILE -5.17 -1.80 1 116 THR 0.40 -0.40 1 117 GLU 5.76 4.38 1 118 VAL 1.07 1.07 1 119 PHE -7.15 -2.02 1 120 GLN -3.48 -0.86 1 121 VAL 3.23 1.71 1 123 THR 4.20 2.70 1 124 ALA 2.30 3.00 1 126 LEU 0.60 0.50 1 128 LEU 3.15 1.93 1 129 TYR 0.44 1.61 1 132 LYS -5.80 -2.00 1 133 LEU -1.16 -0.43 1 134 LYS 0.98 1.57 1 135 SER -1.90 -1.00 1 136 LEU -3.45 -3.21 1 137 GLU -2.40 -0.60 1 138 GLU -4.30 -1.90 1 139 VAL -2.89 -1.74 1 140 LYS -4.28 -0.55 1 141 ASP -4.25 -2.00 1 143 SER 2.30 1.50 1 144 THR -1.97 -0.69 1 145 VAL -4.64 -1.59 1 146 SER 1.50 0.90 1 147 ALA 2.00 2.80 1 149 ASN -4.10 -1.60 1 150 ASP 5.19 4.40 1 152 SER -3.11 -1.53 1 153 ASN -2.02 -1.04 1 154 PHE -2.70 -0.68 1 155 ALA 0.80 0.60 1 156 ARG 2.80 2.27 1 157 VAL 1.70 1.30 1 158 LEU -1.84 -1.19 1 159 VAL -0.04 -0.05 1 160 MET 2.21 1.10 1 161 LEU -5.21 -2.05 1 162 ASP 2.50 2.50 1 163 GLU 0.80 0.70 1 164 LEU 2.10 0.80 1 166 TRP 1.30 1.12 1 167 ILE -1.71 -0.52 1 168 LYS 4.64 4.23 1 169 LEU 2.97 2.77 1 170 LYS -3.81 -1.92 1 171 ASP 3.20 2.20 1 173 ILE 3.84 3.92 1 174 ASN 3.34 2.45 1 176 LEU -1.42 -0.73 1 177 THR -0.08 0.03 1 178 ALA 3.10 2.10 1 179 SER 0.84 0.90 1 180 LYS 3.94 2.98 1 181 ALA 0.78 0.57 1 182 ASP 4.51 3.67 1 183 ILE 0.40 0.20 1 184 ALA 2.51 3.01 1 185 GLU -1.37 -0.73 1 186 ASN -2.00 -2.09 1 187 LEU -0.01 0.41 1 188 LYS 3.67 2.19 1 189 ASN 0.18 -2.05 1 190 ILE 0.78 -0.67 1 191 LYS -2.25 -0.93 1 192 ILE -1.99 -0.33 1 193 VAL -4.64 -1.90 1 194 GLU -6.15 -2.04 1 195 LEU -3.90 -4.66 1 196 GLU 3.87 2.70 1 198 ALA -1.30 -3.98 1 199 GLN 5.90 4.07 1 200 LEU 5.31 4.90 1 202 ARG 2.44 -0.39 1 203 SER -5.43 -3.87 1 205 ALA 1.93 -1.44 1 206 ASP -0.61 0.33 1 207 VAL -3.80 -0.40 1 208 ASP -0.88 -1.01 1 209 PHE 1.56 1.73 1 210 ALA 4.75 0.27 1 211 VAL -6.08 -6.20 1 212 VAL -0.50 -0.20 1 213 ASN 0.34 -2.20 1 215 ASN -4.17 -4.51 1 216 TYR 1.35 0.41 1 217 ALA 1.45 -0.80 1 218 ILE 0.86 -2.64 1 219 SER 3.42 3.02 1 220 SER -2.85 -2.48 1 222 MET -3.66 -3.07 1 223 LYS 0.23 -1.89 1 224 LEU 0.16 -1.99 1 225 THR -4.11 -3.83 1 226 GLU -6.51 -3.98 1 227 ALA -7.14 -4.63 1 228 LEU -4.57 -3.88 1 229 PHE -4.40 0.30 1 230 GLN -4.04 -4.18 1 231 GLU -1.07 -0.17 1 233 SER 2.02 1.94 1 234 PHE 4.70 3.40 1 235 ALA 2.02 -0.23 1 236 TYR 0.07 -2.74 1 237 VAL 2.55 0.96 1 238 ASN 0.04 -2.16 1 239 TRP 0.17 -0.42 1 240 SER 4.14 2.91 1 241 ALA 2.62 -0.19 1 242 VAL -2.34 -1.83 1 243 LYS 1.57 -2.10 1 244 THR 4.28 0.45 1 245 ALA 2.94 -0.28 1 246 ASP -0.23 0.49 1 247 LYS -4.50 -1.53 1 248 ASP 3.41 2.60 1 249 SER 4.24 3.06 1 250 GLN 0.06 -1.04 1 251 TRP -2.61 0.74 1 252 LEU -3.05 -4.45 1 253 LYS 1.72 -0.99 1 254 ASP 3.58 3.03 1 255 VAL 2.97 0.73 1 256 THR -0.15 -0.11 1 257 GLU -0.73 -0.19 1 258 ALA 2.46 -0.19 1 259 TYR -1.14 0.98 1 260 ASN -0.80 -2.30 1 261 SER -2.64 0.39 1 262 ASP 4.26 3.93 1 263 ALA 2.46 -0.19 1 265 LYS -2.50 -3.56 1 266 ALA -0.88 -2.01 1 267 TYR 1.81 1.86 1 268 ALA 3.18 0.01 1 269 HIS 4.24 5.05 1 270 LYS -0.04 0.40 1 271 ARG -0.29 1.04 1 272 PHE 0.27 -1.30 1 273 GLU 1.91 1.22 1 275 TYR -4.96 -2.72 1 276 LYS 0.14 -2.87 1 277 SER -0.47 1.12 1 280 ALA 3.09 0.65 1 281 TRP 1.57 1.72 1 282 ASN 3.65 0.99 1 283 GLU 4.75 2.11 1 285 ALA 1.03 0.57 1 286 ALA 4.49 4.13 1 287 LYS -4.26 -4.39 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 4.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.13 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 -1.31 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 279 ALA 0.44 -3.99 0 204 ARG -7.05 5.48 0 57 MET -5.71 5.50 0 264 PHE 3.81 -5.44 0 197 ALA 0.91 -4.60 0 10 ALA 3.50 -0.90 1 11 ALA 3.20 -0.60 1 12 ALA -2.70 0.90 1 13 LEU -3.90 2.18 1 14 ALA 2.50 -2.00 1 15 LEU 2.96 -1.19 1 16 ILE 0.85 -0.47 1 17 LEU 2.60 -2.60 1 18 ALA 0.26 -0.60 1 19 ALA 2.00 -0.10 1 23 GLN 5.12 -0.79 1 24 LYS 4.19 -1.06 1 25 ASP -0.50 1.70 1 26 SER 5.50 -1.50 1 27 ALA 3.61 0.84 1 29 ALA -0.31 -0.07 1 30 ALA -3.65 2.91 1 31 SER -4.30 1.70 1 32 ALA 2.50 -0.66 1 33 SER -0.10 0.10 1 34 ALA 3.18 -0.89 1 35 ALA 2.85 -1.37 1 36 ALA -0.20 -0.30 1 37 ASP 3.11 -0.86 1 38 ASN 0.08 -0.71 1 40 ALA -3.20 2.60 1 41 ALA 4.15 -1.38 1 42 LYS 4.04 -1.18 1 43 LYS 3.81 -0.86 1 44 GLU 3.48 -0.90 1 45 ILE 5.33 -3.71 1 46 VAL 5.53 -1.26 1 47 PHE 1.86 -1.87 1 49 THR 6.99 -1.08 1 50 THR -3.58 1.14 1 51 VAL -1.43 0.28 1 53 ASP 3.10 0.00 1 54 PHE 4.32 1.02 1 56 ASP -2.60 1.30 1 58 VAL 5.80 -1.50 1 59 LYS 4.00 -0.20 1 60 GLU 0.99 1.63 1 61 GLN -1.70 0.47 1 62 ILE 0.55 -2.70 1 63 GLN -0.40 -0.90 1 64 ALA 3.42 -0.82 1 65 GLU -1.90 0.81 1 66 LEU -3.08 2.10 1 67 GLU 4.30 -0.50 1 68 LYS -5.72 4.25 1 69 LYS 0.80 -0.05 1 71 TYR -3.74 2.15 1 72 THR 3.34 -0.63 1 73 VAL -1.16 0.79 1 74 LYS 3.43 -0.40 1 75 LEU 3.06 -0.57 1 76 VAL -0.90 -0.30 1 77 GLU 3.10 -0.80 1 78 PHE 2.03 0.09 1 79 THR 0.40 -0.80 1 80 ASP 5.97 -1.53 1 81 TYR 3.56 0.29 1 82 VAL 0.48 -0.30 1 83 ARG 6.39 0.60 1 85 ASN -3.10 2.20 1 86 LEU 2.65 0.14 1 87 ALA 0.72 0.83 1 88 LEU -0.72 0.69 1 89 ALA 3.80 -0.40 1 90 GLU 3.50 -0.80 1 92 GLU -5.20 3.10 1 93 LEU -3.90 2.10 1 94 ASP -2.90 1.90 1 95 ILE 6.05 -0.49 1 96 ASN -2.40 1.60 1 97 VAL -4.50 3.20 1 98 PHE 3.58 -0.18 1 99 GLN 3.11 -0.98 1 100 HIS 4.32 0.12 1 101 LYS 1.19 1.50 1 103 TYR 0.57 -0.81 1 104 LEU 3.65 -1.12 1 105 ASP -1.62 0.38 1 106 ASP 2.94 0.28 1 107 PHE -2.87 0.16 1 108 LYS 4.94 -1.12 1 109 LYS 6.30 -1.10 1 110 GLU 3.20 0.00 1 111 HIS 3.82 0.30 1 112 ASN 3.67 -1.05 1 113 LEU -3.30 0.80 1 114 ASP -1.41 -0.62 1 115 ILE -5.17 3.37 1 116 THR 0.40 -0.80 1 117 GLU 5.76 -1.38 1 118 VAL 1.07 0.00 1 119 PHE -7.15 5.13 1 120 GLN -3.48 2.62 1 121 VAL 3.23 -1.52 1 123 THR 4.20 -1.50 1 124 ALA 2.30 0.70 1 126 LEU 0.60 -0.10 1 128 LEU 3.15 -1.22 1 129 TYR 0.44 1.17 1 132 LYS -5.80 3.80 1 133 LEU -1.16 0.73 1 134 LYS 0.98 0.59 1 135 SER -1.90 0.90 1 136 LEU -3.45 0.24 1 137 GLU -2.40 1.80 1 138 GLU -4.30 2.40 1 139 VAL -2.89 1.15 1 140 LYS -4.28 3.73 1 141 ASP -4.25 2.25 1 143 SER 2.30 -0.80 1 144 THR -1.97 1.28 1 145 VAL -4.64 3.05 1 146 SER 1.50 -0.60 1 147 ALA 2.00 0.80 1 149 ASN -4.10 2.50 1 150 ASP 5.19 -0.79 1 152 SER -3.11 1.58 1 153 ASN -2.02 0.98 1 154 PHE -2.70 2.02 1 155 ALA 0.80 -0.20 1 156 ARG 2.80 -0.53 1 157 VAL 1.70 -0.40 1 158 LEU -1.84 0.65 1 159 VAL -0.04 -0.01 1 160 MET 2.21 -1.11 1 161 LEU -5.21 3.16 1 162 ASP 2.50 0.00 1 163 GLU 0.80 -0.10 1 164 LEU 2.10 -1.30 1 166 TRP 1.30 -0.18 1 167 ILE -1.71 1.19 1 168 LYS 4.64 -0.41 1 169 LEU 2.97 -0.20 1 170 LYS -3.81 1.89 1 171 ASP 3.20 -1.00 1 173 ILE 3.84 0.08 1 174 ASN 3.34 -0.89 1 176 LEU -1.42 0.69 1 177 THR -0.08 0.11 1 178 ALA 3.10 -1.00 1 179 SER 0.84 0.06 1 180 LYS 3.94 -0.96 1 181 ALA 0.78 -0.21 1 182 ASP 4.51 -0.84 1 183 ILE 0.40 -0.20 1 184 ALA 2.51 0.50 1 185 GLU -1.37 0.64 1 186 ASN -2.00 -0.09 1 187 LEU -0.01 0.42 1 188 LYS 3.67 -1.48 1 189 ASN 0.18 -2.23 1 190 ILE 0.78 -1.45 1 191 LYS -2.25 1.32 1 192 ILE -1.99 1.66 1 193 VAL -4.64 2.74 1 194 GLU -6.15 4.11 1 195 LEU -3.90 -0.76 1 196 GLU 3.87 -1.17 1 198 ALA -1.30 -2.68 1 199 GLN 5.90 -1.83 1 200 LEU 5.31 -0.41 1 202 ARG 2.44 -2.83 1 203 SER -5.43 1.56 1 205 ALA 1.93 -3.37 1 206 ASP -0.61 0.94 1 207 VAL -3.80 3.40 1 208 ASP -0.88 -0.13 1 209 PHE 1.56 0.17 1 210 ALA 4.75 -4.48 1 211 VAL -6.08 -0.12 1 212 VAL -0.50 0.30 1 213 ASN 0.34 -2.54 1 215 ASN -4.17 -0.34 1 216 TYR 1.35 -0.94 1 217 ALA 1.45 -2.25 1 218 ILE 0.86 -3.50 1 219 SER 3.42 -0.40 1 220 SER -2.85 0.37 1 222 MET -3.66 0.59 1 223 LYS 0.23 -2.12 1 224 LEU 0.16 -2.15 1 225 THR -4.11 0.28 1 226 GLU -6.51 2.53 1 227 ALA -7.14 2.51 1 228 LEU -4.57 0.69 1 229 PHE -4.40 4.70 1 230 GLN -4.04 -0.14 1 231 GLU -1.07 0.90 1 233 SER 2.02 -0.08 1 234 PHE 4.70 -1.30 1 235 ALA 2.02 -2.25 1 236 TYR 0.07 -2.81 1 237 VAL 2.55 -1.59 1 238 ASN 0.04 -2.20 1 239 TRP 0.17 -0.59 1 240 SER 4.14 -1.23 1 241 ALA 2.62 -2.81 1 242 VAL -2.34 0.51 1 243 LYS 1.57 -3.67 1 244 THR 4.28 -3.83 1 245 ALA 2.94 -3.22 1 246 ASP -0.23 0.72 1 247 LYS -4.50 2.97 1 248 ASP 3.41 -0.81 1 249 SER 4.24 -1.18 1 250 GLN 0.06 -1.10 1 251 TRP -2.61 3.35 1 252 LEU -3.05 -1.40 1 253 LYS 1.72 -2.71 1 254 ASP 3.58 -0.55 1 255 VAL 2.97 -2.24 1 256 THR -0.15 0.04 1 257 GLU -0.73 0.54 1 258 ALA 2.46 -2.65 1 259 TYR -1.14 2.12 1 260 ASN -0.80 -1.50 1 261 SER -2.64 3.03 1 262 ASP 4.26 -0.33 1 263 ALA 2.46 -2.65 1 265 LYS -2.50 -1.06 1 266 ALA -0.88 -1.13 1 267 TYR 1.81 0.05 1 268 ALA 3.18 -3.17 1 269 HIS 4.24 0.81 1 270 LYS -0.04 0.44 1 271 ARG -0.29 1.33 1 272 PHE 0.27 -1.57 1 273 GLU 1.91 -0.69 1 275 TYR -4.96 2.24 1 276 LYS 0.14 -3.01 1 277 SER -0.47 1.59 1 280 ALA 3.09 -2.44 1 281 TRP 1.57 0.15 1 282 ASN 3.65 -2.66 1 283 GLU 4.75 -2.64 1 285 ALA 1.03 -0.46 1 286 ALA 4.49 -0.36 1 287 LYS -4.26 -0.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 203 SER -5.43 1.58 0 129 TYR 0.44 -1.04 0 204 ARG -7.05 1.75 0 10 ALA 3.50 -0.11 1 11 ALA 3.20 -0.25 1 12 ALA -2.70 1.15 1 13 LEU -3.90 0.58 1 14 ALA 2.50 -0.32 1 15 LEU 2.96 -0.31 1 16 ILE 0.85 0.15 1 17 LEU 2.60 0.49 1 18 ALA 0.26 0.04 1 19 ALA 2.00 -0.03 1 23 GLN 5.12 -0.74 1 24 LYS 4.19 -0.45 1 25 ASP -0.50 -0.35 1 26 SER 5.50 -0.50 1 27 ALA 3.61 -0.77 1 29 ALA -0.31 0.10 1 30 ALA -3.65 1.24 1 31 SER -4.30 -0.06 1 32 ALA 2.50 -0.03 1 33 SER -0.10 -0.04 1 34 ALA 3.18 -0.15 1 35 ALA 2.85 -0.40 1 36 ALA -0.20 -0.05 1 37 ASP 3.11 -0.32 1 38 ASN 0.08 0.07 1 40 ALA -3.20 0.41 1 41 ALA 4.15 -0.31 1 42 LYS 4.04 -1.09 1 43 LYS 3.81 -0.98 1 44 GLU 3.48 -0.54 1 45 ILE 5.33 -0.75 1 46 VAL 5.53 -0.38 1 47 PHE 1.86 0.02 1 49 THR 6.99 -0.61 1 50 THR -3.58 0.99 1 51 VAL -1.43 0.61 1 53 ASP 3.10 -0.45 1 54 PHE 4.32 -0.81 1 56 ASP -2.60 -0.05 1 57 MET -5.71 0.09 1 58 VAL 5.80 -0.68 1 59 LYS 4.00 -0.35 1 60 GLU 0.99 -0.25 1 61 GLN -1.70 0.40 1 62 ILE 0.55 0.49 1 63 GLN -0.40 0.43 1 64 ALA 3.42 -0.10 1 65 GLU -1.90 -0.11 1 66 LEU -3.08 1.11 1 67 GLU 4.30 -0.52 1 68 LYS -5.72 0.62 1 69 LYS 0.80 -0.08 1 71 TYR -3.74 0.33 1 72 THR 3.34 -0.26 1 73 VAL -1.16 0.03 1 74 LYS 3.43 -0.36 1 75 LEU 3.06 -0.35 1 76 VAL -0.90 0.54 1 77 GLU 3.10 -0.14 1 78 PHE 2.03 -0.21 1 79 THR 0.40 -0.25 1 80 ASP 5.97 -0.06 1 81 TYR 3.56 -0.14 1 82 VAL 0.48 -0.25 1 83 ARG 6.39 -0.45 1 85 ASN -3.10 -0.13 1 86 LEU 2.65 -0.63 1 87 ALA 0.72 0.02 1 88 LEU -0.72 -0.51 1 89 ALA 3.80 -0.53 1 90 GLU 3.50 -0.34 1 92 GLU -5.20 1.19 1 93 LEU -3.90 0.92 1 94 ASP -2.90 0.19 1 95 ILE 6.05 -0.78 1 96 ASN -2.40 0.17 1 97 VAL -4.50 1.19 1 98 PHE 3.58 -1.15 1 99 GLN 3.11 -0.19 1 100 HIS 4.32 -0.44 1 101 LYS 1.19 -0.04 1 103 TYR 0.57 0.03 1 104 LEU 3.65 -0.27 1 105 ASP -1.62 0.49 1 106 ASP 2.94 -0.33 1 107 PHE -2.87 0.22 1 108 LYS 4.94 -0.42 1 109 LYS 6.30 -0.70 1 110 GLU 3.20 -0.08 1 111 HIS 3.82 -0.36 1 112 ASN 3.67 -0.33 1 113 LEU -3.30 -0.19 1 114 ASP -1.41 0.15 1 115 ILE -5.17 0.63 1 116 THR 0.40 -0.25 1 117 GLU 5.76 -0.39 1 118 VAL 1.07 -0.03 1 119 PHE -7.15 1.13 1 120 GLN -3.48 0.70 1 121 VAL 3.23 -0.19 1 123 THR 4.20 0.12 1 124 ALA 2.30 -0.44 1 126 LEU 0.60 -0.11 1 128 LEU 3.15 -0.07 1 132 LYS -5.80 0.39 1 133 LEU -1.16 0.21 1 134 LYS 0.98 -0.12 1 135 SER -1.90 0.22 1 136 LEU -3.45 0.43 1 137 GLU -2.40 0.00 1 138 GLU -4.30 0.91 1 139 VAL -2.89 0.46 1 140 LYS -4.28 0.18 1 141 ASP -4.25 0.12 1 143 SER 2.30 -0.13 1 144 THR -1.97 0.29 1 145 VAL -4.64 -0.09 1 146 SER 1.50 -0.22 1 147 ALA 2.00 -0.41 1 149 ASN -4.10 0.53 1 150 ASP 5.19 -0.52 1 152 SER -3.11 0.53 1 153 ASN -2.02 0.02 1 154 PHE -2.70 -0.06 1 155 ALA 0.80 -0.10 1 156 ARG 2.80 -0.36 1 157 VAL 1.70 -0.11 1 158 LEU -1.84 0.26 1 159 VAL -0.04 -0.10 1 160 MET 2.21 -0.17 1 161 LEU -5.21 1.38 1 162 ASP 2.50 -0.27 1 163 GLU 0.80 -0.29 1 164 LEU 2.10 -0.63 1 166 TRP 1.30 0.00 1 167 ILE -1.71 0.22 1 168 LYS 4.64 -0.34 1 169 LEU 2.97 -0.27 1 170 LYS -3.81 0.00 1 171 ASP 3.20 -0.17 1 173 ILE 3.84 -0.42 1 174 ASN 3.34 -0.29 1 176 LEU -1.42 -0.11 1 177 THR -0.08 0.17 1 178 ALA 3.10 -0.21 1 179 SER 0.84 -0.05 1 180 LYS 3.94 -0.27 1 181 ALA 0.78 -0.27 1 182 ASP 4.51 -0.03 1 183 ILE 0.40 0.16 1 184 ALA 2.51 -0.55 1 185 GLU -1.37 -0.01 1 186 ASN -2.00 0.07 1 187 LEU -0.01 -0.19 1 188 LYS 3.67 -0.04 1 189 ASN 0.18 -0.11 1 190 ILE 0.78 0.26 1 191 LYS -2.25 0.47 1 192 ILE -1.99 0.94 1 193 VAL -4.64 1.32 1 194 GLU -6.15 0.41 1 195 LEU -3.90 0.65 1 196 GLU 3.87 -0.18 1 197 ALA 0.91 0.20 1 198 ALA -1.30 0.91 1 199 GLN 5.90 -0.21 1 200 LEU 5.31 -0.56 1 202 ARG 2.44 -0.11 1 205 ALA 1.93 -0.60 1 206 ASP -0.61 -0.07 1 207 VAL -3.80 0.53 1 208 ASP -0.88 -0.66 1 209 PHE 1.56 -0.15 1 210 ALA 4.75 -0.55 1 211 VAL -6.08 0.61 1 212 VAL -0.50 0.13 1 213 ASN 0.34 -0.14 1 215 ASN -4.17 0.11 1 216 TYR 1.35 -0.46 1 217 ALA 1.45 -0.19 1 218 ILE 0.86 -0.06 1 219 SER 3.42 -0.01 1 220 SER -2.85 0.16 1 222 MET -3.66 0.07 1 223 LYS 0.23 0.04 1 224 LEU 0.16 0.06 1 225 THR -4.11 1.27 1 226 GLU -6.51 1.02 1 227 ALA -7.14 1.04 1 228 LEU -4.57 0.96 1 229 PHE -4.40 0.38 1 230 GLN -4.04 1.15 1 231 GLU -1.07 -0.06 1 233 SER 2.02 -0.14 1 234 PHE 4.70 -0.34 1 235 ALA 2.02 -0.14 1 236 TYR 0.07 0.15 1 237 VAL 2.55 -0.25 1 238 ASN 0.04 0.17 1 239 TRP 0.17 0.31 1 240 SER 4.14 -0.20 1 241 ALA 2.62 -0.35 1 242 VAL -2.34 0.28 1 243 LYS 1.57 0.10 1 244 THR 4.28 0.39 1 245 ALA 2.94 -0.27 1 246 ASP -0.23 0.75 1 247 LYS -4.50 0.34 1 248 ASP 3.41 -0.21 1 249 SER 4.24 -0.67 1 250 GLN 0.06 0.11 1 251 TRP -2.61 0.08 1 252 LEU -3.05 0.31 1 253 LYS 1.72 -0.17 1 254 ASP 3.58 -0.20 1 255 VAL 2.97 0.08 1 256 THR -0.15 0.06 1 257 GLU -0.73 -0.20 1 258 ALA 2.46 -0.11 1 259 TYR -1.14 0.15 1 260 ASN -0.80 0.05 1 261 SER -2.64 0.21 1 262 ASP 4.26 -0.20 1 263 ALA 2.46 -0.11 1 264 PHE 3.81 -0.77 1 265 LYS -2.50 0.76 1 266 ALA -0.88 0.30 1 267 TYR 1.81 -0.23 1 268 ALA 3.18 -0.52 1 269 HIS 4.24 -0.57 1 270 LYS -0.04 0.09 1 271 ARG -0.29 0.37 1 272 PHE 0.27 -0.13 1 273 GLU 1.91 -0.39 1 275 TYR -4.96 0.60 1 276 LYS 0.14 0.19 1 277 SER -0.47 0.59 1 279 ALA 0.44 -0.06 1 280 ALA 3.09 -0.24 1 281 TRP 1.57 -0.10 1 282 ASN 3.65 -0.25 1 283 GLU 4.75 -0.15 1 285 ALA 1.03 0.24 1 286 ALA 4.49 -0.59 1 287 LYS -4.26 0.42 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17250_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.15 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.49 _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 6.98 _LACS_plot.Line_2_terminator_val_y_2 2.45 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 198 ALA -1.30 -6.86 0 228 LEU -4.57 -7.41 0 26 SER 5.50 -4.30 0 241 ALA 2.62 -5.96 0 283 GLU 4.75 -4.85 0 10 ALA 3.50 3.10 1 11 ALA 3.20 0.90 1 12 ALA -2.70 -1.60 1 13 LEU -3.90 -2.73 1 14 ALA 2.50 -0.60 1 15 LEU 2.96 2.29 1 16 ILE 0.85 -2.63 1 17 LEU 2.60 -0.50 1 18 ALA 0.26 0.15 1 19 ALA 2.00 1.80 1 23 GLN 5.12 1.43 1 24 LYS 4.19 2.69 1 25 ASP -0.50 1.10 1 27 ALA 3.61 3.56 1 29 ALA -0.31 1.58 1 30 ALA -3.65 -3.08 1 31 SER -4.30 -1.90 1 32 ALA 2.50 1.21 1 33 SER -0.10 0.20 1 34 ALA 3.18 2.29 1 35 ALA 2.85 0.80 1 36 ALA -0.20 -2.20 1 37 ASP 3.11 -0.02 1 38 ASN 0.08 0.36 1 40 ALA -3.20 -3.60 1 41 ALA 4.15 2.77 1 42 LYS 4.04 3.25 1 43 LYS 3.81 2.54 1 44 GLU 3.48 3.00 1 45 ILE 5.33 1.65 1 46 VAL 5.53 2.03 1 47 PHE 1.86 -0.77 1 49 THR 6.99 0.63 1 50 THR -3.58 -0.89 1 51 VAL -1.43 -2.00 1 53 ASP 3.10 0.60 1 54 PHE 4.32 1.56 1 56 ASP -2.60 -0.70 1 57 MET -5.71 -0.33 1 58 VAL 5.80 2.40 1 59 LYS 4.00 3.00 1 60 GLU 0.99 2.02 1 61 GLN -1.70 -1.00 1 62 ILE 0.55 -1.20 1 63 GLN -0.40 -2.90 1 64 ALA 3.42 2.49 1 65 GLU -1.90 -0.36 1 66 LEU -3.08 -1.87 1 67 GLU 4.30 2.40 1 68 LYS -5.72 -2.21 1 69 LYS 0.80 0.22 1 71 TYR -3.74 -4.73 1 72 THR 3.34 -1.18 1 73 VAL -1.16 0.02 1 74 LYS 3.43 1.77 1 75 LEU 3.06 1.54 1 76 VAL -0.90 -0.70 1 77 GLU 3.10 1.50 1 78 PHE 2.03 -1.61 1 79 THR 0.40 0.30 1 80 ASP 5.97 3.27 1 81 TYR 3.56 3.07 1 82 VAL 0.48 -3.14 1 83 ARG 6.39 1.72 1 85 ASN -3.10 0.70 1 86 LEU 2.65 0.88 1 87 ALA 0.72 2.22 1 88 LEU -0.72 -0.72 1 89 ALA 3.80 1.00 1 90 GLU 3.50 3.00 1 92 GLU -5.20 -0.70 1 93 LEU -3.90 -2.60 1 94 ASP -2.90 -1.10 1 95 ILE 6.05 0.56 1 96 ASN -2.40 -1.00 1 97 VAL -4.50 -1.00 1 98 PHE 3.58 -0.34 1 99 GLN 3.11 0.98 1 100 HIS 4.32 3.26 1 101 LYS 1.19 2.74 1 103 TYR 0.57 -1.00 1 105 ASP -1.62 -0.39 1 106 ASP 2.94 2.97 1 107 PHE -2.87 -3.05 1 108 LYS 4.94 2.65 1 109 LYS 6.30 2.40 1 110 GLU 3.20 2.40 1 111 HIS 3.82 4.26 1 112 ASN 3.67 1.95 1 113 LEU -3.30 0.20 1 114 ASP -1.41 0.42 1 115 ILE -5.17 -2.29 1 116 THR 0.40 0.30 1 117 GLU 5.76 1.43 1 118 VAL 1.07 1.32 1 119 PHE -7.15 -1.12 1 120 GLN -3.48 -2.20 1 123 THR 4.20 -0.60 1 124 ALA 2.30 2.50 1 126 LEU 0.60 0.20 1 128 LEU 3.15 -0.69 1 132 LYS -5.80 -1.90 1 133 LEU -1.16 -0.48 1 134 LYS 0.98 2.38 1 135 SER -1.90 -1.90 1 137 GLU -2.40 -0.40 1 138 GLU -4.30 -1.60 1 139 VAL -2.89 -2.61 1 140 LYS -4.28 -2.33 1 141 ASP -4.25 -2.52 1 143 SER 2.30 1.70 1 145 VAL -4.64 -5.49 1 146 SER 1.50 0.20 1 147 ALA 2.00 2.30 1 149 ASN -4.10 1.00 1 152 SER -3.11 -1.14 1 153 ASN -2.02 0.31 1 154 PHE -2.70 0.44 1 155 ALA 0.80 0.40 1 156 ARG 2.80 -0.05 1 157 VAL 1.70 -2.30 1 158 LEU -1.84 -0.94 1 159 VAL -0.04 -0.54 1 160 MET 2.21 1.64 1 161 LEU -5.21 -2.46 1 162 ASP 2.50 1.80 1 163 GLU 0.80 0.30 1 164 LEU 2.10 0.20 1 166 TRP 1.30 2.53 1 167 ILE -1.71 -0.93 1 168 LYS 4.64 0.15 1 169 LEU 2.97 0.88 1 170 LYS -3.81 -2.95 1 171 ASP 3.20 1.90 1 173 ILE 3.84 -1.20 1 176 LEU -1.42 -1.58 1 177 THR -0.08 -0.15 1 178 ALA 3.10 1.40 1 179 SER 0.84 -0.63 1 180 LYS 3.94 -0.70 1 181 ALA 0.78 -0.45 1 182 ASP 4.51 2.90 1 183 ILE 0.40 -2.80 1 184 ALA 2.51 0.95 1 185 GLU -1.37 -0.94 1 187 LEU -0.01 1.07 1 188 LYS 3.67 2.89 1 189 ASN 0.18 -3.10 1 190 ILE 0.78 -5.02 1 191 LYS -2.25 -2.44 1 192 ILE -1.99 -0.74 1 193 VAL -4.64 0.52 1 194 GLU -6.15 -2.85 1 195 LEU -3.90 -4.40 1 196 GLU 3.87 1.22 1 199 GLN 5.90 3.10 1 200 LEU 5.31 5.42 1 203 SER -5.43 -1.88 1 204 ARG -7.05 -1.18 1 205 ALA 1.93 -4.22 1 206 ASP -0.61 -1.69 1 207 VAL -3.80 -1.70 1 208 ASP -0.88 -1.10 1 209 PHE 1.56 -0.05 1 210 ALA 4.75 -2.56 1 211 VAL -6.08 -2.22 1 212 VAL -0.50 -0.40 1 213 ASN 0.34 -2.57 1 216 TYR 1.35 -1.22 1 217 ALA 1.45 -3.29 1 218 ILE 0.86 0.99 1 219 SER 3.42 3.99 1 220 SER -2.85 0.97 1 222 MET -3.66 -2.97 1 223 LYS 0.23 -0.95 1 224 LEU 0.16 -2.90 1 225 THR -4.11 -2.45 1 226 GLU -6.51 -3.85 1 227 ALA -7.14 -0.63 1 229 PHE -4.40 -0.37 1 230 GLN -4.04 -0.29 1 231 GLU -1.07 0.44 1 233 SER 2.02 -0.97 1 234 PHE 4.70 1.42 1 235 ALA 2.02 -4.05 1 236 TYR 0.07 1.08 1 237 VAL 2.55 0.57 1 238 ASN 0.04 -2.18 1 239 TRP 0.17 0.19 1 242 VAL -2.34 -2.86 1 243 LYS 1.57 -1.77 1 244 THR 4.28 -1.77 1 245 ALA 2.94 -5.04 1 246 ASP -0.23 -0.65 1 247 LYS -4.50 -2.38 1 248 ASP 3.41 2.00 1 249 SER 4.24 1.76 1 250 GLN 0.06 -0.46 1 251 TRP -2.61 -0.26 1 253 LYS 1.72 -2.30 1 254 ASP 3.58 3.13 1 255 VAL 2.97 -2.96 1 256 THR -0.15 -0.41 1 257 GLU -0.73 -0.81 1 258 ALA 2.46 -4.19 1 259 TYR -1.14 2.47 1 260 ASN -0.80 -0.04 1 261 SER -2.64 1.29 1 262 ASP 4.26 1.97 1 263 ALA 2.46 -4.19 1 264 PHE 3.81 -3.01 1 265 LYS -2.50 0.41 1 266 ALA -0.88 -3.81 1 268 ALA 3.18 -4.98 1 269 HIS 4.24 1.84 1 270 LYS -0.04 1.55 1 271 ARG -0.29 -1.97 1 272 PHE 0.27 -1.33 1 273 GLU 1.91 1.06 1 275 TYR -4.96 -3.40 1 276 LYS 0.14 -1.95 1 277 SER -0.47 0.59 1 280 ALA 3.09 -4.93 1 281 TRP 1.57 4.50 1 282 ASN 3.65 -0.89 1 285 ALA 1.03 -1.15 1 286 ALA 4.49 1.68 1 287 LYS -4.26 -5.67 1 stop_ save_