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 bmr25383_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 -2.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.02 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 4.56 _LACS_plot.Y_axis_chem_shift_offset 0.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 180 TYR -5.70 -0.30 0 11 SER 0.30 -0.30 1 12 THR 0.30 -0.30 1 13 GLN 0.50 -0.20 1 14 THR -0.40 -0.50 1 15 ALA 0.60 -0.20 1 16 GLU 0.30 -0.30 1 17 ASP 0.60 -0.10 1 18 LYS 0.40 -0.60 1 19 GLU -1.00 -1.40 1 20 GLU 0.90 1.40 1 22 LEU 0.20 -0.20 1 23 HIS -0.80 -0.90 1 24 SER -2.70 -2.60 1 27 SER -1.70 -1.20 1 28 SER 0.80 -1.80 1 29 THR 0.00 -0.60 1 30 GLU 2.10 0.20 1 31 SER -2.20 -1.40 1 32 VAL 1.60 1.00 1 33 GLN -1.50 -1.20 1 35 SER -0.60 -0.60 1 36 THR -0.90 -0.70 1 37 SER -1.90 -1.40 1 38 LYS -0.60 -0.90 1 39 HIS -4.90 -1.50 1 40 GLU -1.70 -1.70 1 41 PHE -0.70 -0.10 1 63 PHE 4.90 1.60 1 64 ILE 6.60 3.50 1 65 ARG 6.00 3.20 1 66 GLU 2.80 1.30 1 70 ASN 3.50 2.80 1 71 ALA 2.30 1.60 1 72 SER 4.10 3.30 1 73 ASP 3.90 3.10 1 74 ALA 3.00 2.40 1 75 LEU 4.80 2.20 1 76 GLU 3.80 2.10 1 77 LYS 4.20 3.20 1 78 LEU 4.20 2.40 1 79 ARG 5.60 3.90 1 80 HIS 4.20 4.10 1 81 LYS 4.00 2.40 1 82 LEU 4.80 2.50 1 83 VAL 5.20 3.30 1 84 SER 4.50 2.90 1 85 ASP 0.00 -0.20 1 87 GLN -2.60 -1.80 1 88 ALA -0.30 -1.10 1 89 LEU 0.50 -1.00 1 91 GLU 2.40 0.90 1 92 MET -0.90 -0.60 1 93 GLU -7.50 -2.50 1 97 GLN -6.20 -2.00 1 98 THR -1.50 -1.80 1 99 ASN 0.00 -0.10 1 100 ALA 2.80 1.50 1 101 GLU 3.90 2.40 1 102 LYS -0.50 -1.30 1 104 THR -6.40 -3.60 1 105 ILE -1.90 -1.60 1 106 THR -2.70 -1.50 1 107 ILE -4.00 -2.10 1 109 ASP -7.50 -2.40 1 110 THR 0.60 -2.50 1 112 ILE 0.30 1.30 1 114 MET -4.80 -1.00 1 115 THR -2.70 -1.80 1 116 GLN 7.20 4.20 1 117 GLU 4.30 2.60 1 118 GLU 2.80 1.70 1 119 LEU 0.90 -1.00 1 131 SER 1.50 0.90 1 132 LYS 3.90 2.40 1 133 ALA 3.40 1.50 1 134 PHE 3.10 1.80 1 135 LEU 3.70 1.90 1 136 ASP 3.70 2.10 1 137 ALA 3.00 1.20 1 138 LEU 2.50 0.90 1 139 GLN 2.00 0.90 1 140 ASN 0.90 0.20 1 141 GLN 1.50 0.20 1 142 ALA 1.50 0.40 1 143 GLU 0.80 -0.30 1 144 ALA 1.60 0.50 1 172 SER 0.50 -1.10 1 173 ALA 0.20 -0.40 1 174 ALA 2.10 0.10 1 177 SER 1.50 1.20 1 178 LEU -0.40 -1.60 1 181 GLN -5.70 -2.60 1 182 TRP -6.30 -1.80 1 183 LEU -5.40 -1.60 1 184 SER -2.80 0.10 1 185 ASP -0.50 -1.20 1 192 ILE -5.60 -3.00 1 193 ALA -5.90 -1.60 1 194 GLU 0.70 0.10 1 195 ALA -5.00 -2.40 1 196 SER -2.30 -1.70 1 199 ARG 0.70 -0.80 1 200 THR 4.80 3.30 1 202 THR -1.50 0.20 1 203 LYS -3.90 -1.80 1 207 HIS 1.10 -0.10 1 208 LEU 1.70 0.50 1 209 LYS -0.80 -0.30 1 210 SER 6.30 3.60 1 211 ASP 1.70 -0.30 1 213 LYS 4.70 2.30 1 214 GLU 4.20 1.50 1 215 PHE 4.90 1.90 1 216 SER -1.90 -1.00 1 217 SER -2.20 -2.80 1 218 GLU 4.80 3.80 1 219 ALA 4.20 2.40 1 220 ARG 2.70 0.70 1 221 VAL 6.10 4.40 1 222 ARG 6.20 4.00 1 223 ASP 4.50 2.90 1 224 VAL 5.00 3.80 1 225 VAL 5.40 3.60 1 226 THR 5.20 3.90 1 227 LYS 4.20 2.30 1 228 TYR -0.50 -1.40 1 229 SER 3.90 3.30 1 230 ASN 3.60 1.30 1 231 PHE 1.90 0.10 1 232 VAL -1.60 -1.50 1 233 SER 0.70 -0.20 1 234 PHE -1.50 0.10 1 236 LEU -4.40 -2.40 1 237 TYR -5.50 -2.20 1 238 LEU -2.90 -2.30 1 239 ASN 3.90 1.00 1 241 ARG -1.40 -1.90 1 242 ARG 2.00 0.10 1 243 MET -1.20 -1.70 1 244 ASN -0.40 -1.60 1 245 THR 0.40 -0.20 1 246 LEU 1.00 -0.30 1 247 GLN 1.10 1.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25383_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 4.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -2.63 _LACS_plot.Y_axis_chem_shift_offset 0.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 180 TYR -5.70 5.40 0 11 SER 0.30 -0.60 1 12 THR 0.30 -0.60 1 13 GLN 0.50 -0.70 1 14 THR -0.40 -0.10 1 15 ALA 0.60 -0.80 1 16 GLU 0.30 -0.60 1 17 ASP 0.60 -0.70 1 18 LYS 0.40 -1.00 1 19 GLU -1.00 -0.40 1 20 GLU 0.90 0.50 1 22 LEU 0.20 -0.40 1 23 HIS -0.80 -0.10 1 24 SER -2.70 0.10 1 27 SER -1.70 0.50 1 28 SER 0.80 -2.60 1 29 THR 0.00 -0.60 1 30 GLU 2.10 -1.90 1 31 SER -2.20 0.80 1 32 VAL 1.60 -0.60 1 33 GLN -1.50 0.30 1 35 SER -0.60 0.00 1 36 THR -0.90 0.20 1 37 SER -1.90 0.50 1 38 LYS -0.60 -0.30 1 39 HIS -4.90 3.40 1 40 GLU -1.70 0.00 1 41 PHE -0.70 0.60 1 63 PHE 4.90 -3.30 1 64 ILE 6.60 -3.10 1 65 ARG 6.00 -2.80 1 66 GLU 2.80 -1.50 1 70 ASN 3.50 -0.70 1 71 ALA 2.30 -0.70 1 72 SER 4.10 -0.80 1 73 ASP 3.90 -0.80 1 74 ALA 3.00 -0.60 1 75 LEU 4.80 -2.60 1 76 GLU 3.80 -1.70 1 77 LYS 4.20 -1.00 1 78 LEU 4.20 -1.80 1 79 ARG 5.60 -1.70 1 80 HIS 4.20 -0.10 1 81 LYS 4.00 -1.60 1 82 LEU 4.80 -2.30 1 83 VAL 5.20 -1.90 1 84 SER 4.50 -1.60 1 85 ASP 0.00 -0.20 1 87 GLN -2.60 0.80 1 88 ALA -0.30 -0.80 1 89 LEU 0.50 -1.50 1 91 GLU 2.40 -1.50 1 92 MET -0.90 0.30 1 93 GLU -7.50 5.00 1 97 GLN -6.20 4.20 1 98 THR -1.50 -0.30 1 99 ASN 0.00 -0.10 1 100 ALA 2.80 -1.30 1 101 GLU 3.90 -1.50 1 102 LYS -0.50 -0.80 1 104 THR -6.40 2.80 1 105 ILE -1.90 0.30 1 106 THR -2.70 1.20 1 107 ILE -4.00 1.90 1 109 ASP -7.50 5.10 1 110 THR 0.60 -3.10 1 112 ILE 0.30 1.00 1 114 MET -4.80 3.80 1 115 THR -2.70 0.90 1 116 GLN 7.20 -3.00 1 117 GLU 4.30 -1.70 1 118 GLU 2.80 -1.10 1 119 LEU 0.90 -1.90 1 131 SER 1.50 -0.60 1 132 LYS 3.90 -1.50 1 133 ALA 3.40 -1.90 1 134 PHE 3.10 -1.30 1 135 LEU 3.70 -1.80 1 136 ASP 3.70 -1.60 1 137 ALA 3.00 -1.80 1 138 LEU 2.50 -1.60 1 139 GLN 2.00 -1.10 1 140 ASN 0.90 -0.70 1 141 GLN 1.50 -1.30 1 142 ALA 1.50 -1.10 1 143 GLU 0.80 -1.10 1 144 ALA 1.60 -1.10 1 172 SER 0.50 -1.60 1 173 ALA 0.20 -0.60 1 174 ALA 2.10 -2.00 1 177 SER 1.50 -0.30 1 178 LEU -0.40 -1.20 1 181 GLN -5.70 3.10 1 182 TRP -6.30 4.50 1 183 LEU -5.40 3.80 1 184 SER -2.80 2.90 1 185 ASP -0.50 -0.70 1 192 ILE -5.60 2.60 1 193 ALA -5.90 4.30 1 194 GLU 0.70 -0.60 1 195 ALA -5.00 2.60 1 196 SER -2.30 0.60 1 199 ARG 0.70 -1.50 1 200 THR 4.80 -1.50 1 202 THR -1.50 1.70 1 203 LYS -3.90 2.10 1 207 HIS 1.10 -1.20 1 208 LEU 1.70 -1.20 1 209 LYS -0.80 0.50 1 210 SER 6.30 -2.70 1 211 ASP 1.70 -2.00 1 213 LYS 4.70 -2.40 1 214 GLU 4.20 -2.70 1 215 PHE 4.90 -3.00 1 216 SER -1.90 0.90 1 217 SER -2.20 -0.60 1 218 GLU 4.80 -1.00 1 219 ALA 4.20 -1.80 1 220 ARG 2.70 -2.00 1 221 VAL 6.10 -1.70 1 222 ARG 6.20 -2.20 1 223 ASP 4.50 -1.60 1 224 VAL 5.00 -1.20 1 225 VAL 5.40 -1.80 1 226 THR 5.20 -1.30 1 227 LYS 4.20 -1.90 1 228 TYR -0.50 -0.90 1 229 SER 3.90 -0.60 1 230 ASN 3.60 -2.30 1 231 PHE 1.90 -1.80 1 232 VAL -1.60 0.10 1 233 SER 0.70 -0.90 1 234 PHE -1.50 1.60 1 236 LEU -4.40 2.00 1 237 TYR -5.50 3.30 1 238 LEU -2.90 0.60 1 239 ASN 3.90 -2.90 1 241 ARG -1.40 -0.50 1 242 ARG 2.00 -1.90 1 243 MET -1.20 -0.50 1 244 ASN -0.40 -1.20 1 245 THR 0.40 -0.60 1 246 LEU 1.00 -1.30 1 247 GLN 1.10 0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25383_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.50 _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 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 2.30 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 215 PHE 4.90 -4.70 0 11 SER 0.30 0.20 1 12 THR 0.30 -0.20 1 13 GLN 0.50 0.00 1 14 THR -0.40 -0.30 1 15 ALA 0.60 0.00 1 16 GLU 0.30 -0.30 1 17 ASP 0.60 -0.20 1 18 LYS 0.40 -0.30 1 19 GLU -1.00 -0.40 1 20 GLU 0.90 -1.20 1 22 LEU 0.20 -0.20 1 23 HIS -0.80 -2.90 1 24 SER -2.70 -0.20 1 27 SER -1.70 -1.20 1 28 SER 0.80 0.30 1 29 THR 0.00 0.60 1 30 GLU 2.10 0.70 1 31 SER -2.20 -1.40 1 32 VAL 1.60 -0.40 1 33 GLN -1.50 -0.50 1 35 SER -0.60 0.30 1 36 THR -0.90 0.30 1 37 SER -1.90 -1.70 1 38 LYS -0.60 -1.10 1 39 HIS -4.90 -1.40 1 40 GLU -1.70 1.50 1 41 PHE -0.70 3.20 1 63 PHE 4.90 0.20 1 64 ILE 6.60 0.20 1 65 ARG 6.00 2.00 1 66 GLU 2.80 2.70 1 70 ASN 3.50 2.30 1 71 ALA 2.30 0.60 1 72 SER 4.10 3.70 1 73 ASP 3.90 1.90 1 74 ALA 3.00 4.20 1 75 LEU 4.80 0.20 1 76 GLU 3.80 3.00 1 77 LYS 4.20 3.70 1 78 LEU 4.20 -0.60 1 79 ARG 5.60 1.20 1 80 HIS 4.20 3.80 1 81 LYS 4.00 1.50 1 82 LEU 4.80 2.20 1 83 VAL 5.20 4.50 1 84 SER 4.50 0.50 1 85 ASP 0.00 0.30 1 87 GLN -2.60 -1.20 1 88 ALA -0.30 -0.70 1 89 LEU 0.50 0.40 1 91 GLU 2.40 0.70 1 92 MET -0.90 -3.00 1 93 GLU -7.50 -2.80 1 97 GLN -6.20 0.20 1 98 THR -1.50 -0.80 1 99 ASN 0.00 -0.10 1 100 ALA 2.80 1.70 1 101 GLU 3.90 2.20 1 102 LYS -0.50 0.60 1 104 THR -6.40 -1.30 1 105 ILE -1.90 -4.30 1 106 THR -2.70 -1.50 1 107 ILE -4.00 -3.00 1 109 ASP -7.50 0.30 1 110 THR 0.60 -1.20 1 112 ILE 0.30 -1.40 1 114 MET -4.80 -0.40 1 115 THR -2.70 -0.20 1 116 GLN 7.20 1.30 1 117 GLU 4.30 3.00 1 118 GLU 2.80 2.20 1 119 LEU 0.90 2.30 1 131 SER 1.50 0.40 1 132 LYS 3.90 0.80 1 133 ALA 3.40 2.20 1 134 PHE 3.10 0.50 1 135 LEU 3.70 2.00 1 136 ASP 3.70 2.00 1 137 ALA 3.00 1.60 1 138 LEU 2.50 0.90 1 139 GLN 2.00 0.40 1 140 ASN 0.90 0.10 1 141 GLN 1.50 0.10 1 142 ALA 1.50 0.40 1 143 GLU 0.80 0.00 1 144 ALA 1.60 0.60 1 172 SER 0.50 0.10 1 173 ALA 0.20 -0.20 1 174 ALA 2.10 0.40 1 177 SER 1.50 -0.60 1 178 LEU -0.40 -1.70 1 180 TYR -5.70 -2.20 1 181 GLN -5.70 -2.70 1 182 TRP -6.30 -1.00 1 183 LEU -5.40 -1.10 1 184 SER -2.80 -0.90 1 185 ASP -0.50 0.90 1 192 ILE -5.60 -2.20 1 193 ALA -5.90 -1.40 1 194 GLU 0.70 -1.40 1 195 ALA -5.00 -1.40 1 196 SER -2.30 0.30 1 199 ARG 0.70 -0.80 1 200 THR 4.80 0.30 1 202 THR -1.50 -3.20 1 203 LYS -3.90 -3.30 1 207 HIS 1.10 0.80 1 208 LEU 1.70 -0.60 1 209 LYS -0.80 2.20 1 210 SER 6.30 1.50 1 211 ASP 1.70 0.70 1 213 LYS 4.70 1.50 1 214 GLU 4.20 0.00 1 216 SER -1.90 -1.80 1 217 SER -2.20 0.20 1 218 GLU 4.80 0.20 1 219 ALA 4.20 1.70 1 220 ARG 2.70 2.30 1 221 VAL 6.10 1.20 1 222 ARG 6.20 2.10 1 223 ASP 4.50 1.90 1 224 VAL 5.00 1.50 1 225 VAL 5.40 1.60 1 226 THR 5.20 1.70 1 227 LYS 4.20 1.20 1 228 TYR -0.50 0.80 1 229 SER 3.90 0.70 1 230 ASN 3.60 0.30 1 231 PHE 1.90 -1.00 1 232 VAL -1.60 -0.20 1 233 SER 0.70 -2.00 1 234 PHE -1.50 -2.50 1 236 LEU -4.40 -3.10 1 237 TYR -5.50 -1.30 1 238 LEU -2.90 -1.70 1 239 ASN 3.90 0.20 1 241 ARG -1.40 -0.70 1 242 ARG 2.00 0.90 1 243 MET -1.20 -0.50 1 244 ASN -0.40 -0.60 1 245 THR 0.40 -0.50 1 246 LEU 1.00 -1.50 1 247 GLN 1.10 4.50 1 stop_ save_