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 bmr7216_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.69 _LACS_plot.Line_2_terminator_val_x_2 8.10 _LACS_plot.Line_2_terminator_val_y_2 6.13 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 229 PHE -8.00 -1.50 0 223 LYS 1.90 -3.00 0 10 ASN -0.70 -1.80 1 11 PHE 1.20 -1.30 1 12 LYS 3.40 1.20 1 13 LEU -2.40 -3.20 1 14 ASN -5.50 -0.20 1 16 SER -6.30 -3.00 1 17 LYS 8.10 5.80 1 18 GLN 4.00 3.00 1 19 SER 3.40 2.30 1 20 ILE 6.30 4.00 1 21 LYS 5.50 3.80 1 22 GLU 3.00 2.50 1 23 ILE 3.60 3.80 1 27 LEU 3.40 2.50 1 28 ASN 2.20 1.80 1 29 THR -0.70 0.00 1 30 ALA -1.70 -0.70 1 31 SER 0.00 -0.90 1 32 ILE -2.00 -1.10 1 34 GLU 1.40 1.30 1 35 ASN 0.60 -1.00 1 36 VAL -3.90 -2.20 1 37 GLU -3.40 -1.20 1 38 VAL -1.30 -0.40 1 44 ALA 4.10 2.10 1 45 THR 2.20 2.10 1 46 TYR -3.70 -1.80 1 47 LEU 4.00 4.70 1 48 ASP 1.90 2.30 1 49 TYR 1.00 1.80 1 51 VAL 6.10 4.50 1 52 SER 3.20 2.80 1 53 LEU -2.80 -0.20 1 54 VAL 3.80 3.10 1 55 LYS -2.20 -1.50 1 56 LYS -3.50 -1.90 1 58 GLN 2.80 2.20 1 59 VAL -0.50 -1.40 1 60 THR -4.70 -2.00 1 61 VAL -2.70 -2.00 1 63 ALA -7.80 -3.90 1 64 GLN 1.00 1.40 1 65 ASN -1.40 0.20 1 66 ALA -3.30 -0.80 1 67 TYR -1.90 -1.40 1 68 LEU 2.40 -1.20 1 69 LYS -6.40 -3.10 1 70 ALA -0.50 0.60 1 71 SER -4.20 -2.00 1 73 ALA 1.90 -1.90 1 74 PHE -3.30 -3.90 1 75 THR 4.50 5.10 1 77 GLU -4.00 -1.80 1 78 ASN -2.00 -2.10 1 79 SER -6.30 -5.30 1 80 VAL 4.70 3.30 1 81 ASP 3.40 2.90 1 82 GLN 4.00 1.60 1 83 ILE 5.20 4.00 1 84 LYS 3.50 2.70 1 85 ASP 1.40 2.70 1 86 VAL 0.40 -1.50 1 88 ALA -1.80 -0.90 1 93 LEU -6.10 -2.50 1 95 HIS 1.70 4.80 1 98 ARG 6.00 1.80 1 99 ARG 3.70 2.90 1 100 SER 0.80 0.70 1 101 TYR 2.80 1.60 1 102 PHE 0.50 -0.30 1 103 HIS 3.90 1.20 1 104 GLU 3.20 2.00 1 105 ASP -3.30 -1.90 1 106 ASP 3.90 4.30 1 107 LYS -2.20 2.20 1 109 ILE 4.90 2.90 1 110 ALA 3.40 3.60 1 111 ASP 3.40 2.90 1 117 LEU 2.30 1.70 1 119 GLN -2.20 -2.10 1 121 VAL -2.20 -1.80 1 123 VAL -5.80 -1.80 1 127 ILE -4.60 -1.80 1 129 GLU -3.10 -2.30 1 130 THR -3.20 -1.00 1 131 LEU 4.60 3.70 1 132 GLU 4.20 3.10 1 133 GLU 2.30 2.20 1 134 LYS 3.00 2.50 1 135 LYS 4.00 2.70 1 136 ALA -0.70 -0.80 1 138 LYS -0.30 -1.30 1 140 LEU 4.70 1.90 1 141 ASP 3.10 2.90 1 142 VAL 5.70 4.40 1 143 VAL 5.10 3.20 1 144 GLU 4.90 2.70 1 145 ARG 5.30 3.70 1 146 GLN 3.60 3.20 1 147 LEU 1.90 2.10 1 148 ASN 3.70 3.00 1 149 ALA 3.10 2.40 1 150 VAL 5.10 3.90 1 151 LEU 2.30 1.60 1 152 GLU 2.00 2.00 1 153 GLU -3.20 -1.20 1 155 LYS -1.10 -1.60 1 156 ASP -2.30 -1.20 1 157 PHE 0.20 -1.40 1 158 THR 6.60 5.70 1 159 ASN -0.70 -0.80 1 160 VAL -2.60 -1.70 1 162 VAL -2.30 -1.60 1 163 ALA -4.30 -1.20 1 167 VAL 7.10 4.40 1 168 TRP -0.80 -1.20 1 169 ALA -0.30 -1.30 1 170 ILE 2.00 0.20 1 172 THR -2.40 -0.70 1 174 LEU -1.10 -0.80 1 175 ALA -3.20 -1.30 1 176 ALA -2.70 -1.90 1 177 THR -0.30 -0.30 1 179 GLU 5.10 3.80 1 180 ASP 3.20 3.20 1 181 ALA 3.10 2.30 1 182 GLN 4.30 1.80 1 183 ASP 2.90 3.30 1 184 ILE 2.90 1.60 1 185 HIS 5.50 5.60 1 186 ALA 4.40 2.90 1 187 SER 4.90 4.20 1 192 LEU 4.40 2.40 1 193 ALA 3.70 1.80 1 194 SER 3.10 2.50 1 195 LYS -0.80 -0.50 1 196 LEU -2.80 -0.90 1 198 ASP 3.30 3.50 1 199 LYS 4.80 3.30 1 200 ALA 2.40 2.00 1 201 ALA 3.60 2.30 1 202 SER 2.90 2.50 1 203 GLU -1.30 -0.50 1 204 LEU -1.40 -0.60 1 205 ARG 1.80 0.70 1 211 SER 1.80 0.50 1 212 ALA -2.60 -1.50 1 213 ASN -2.70 -1.70 1 215 SER 1.40 1.60 1 216 ASN -1.30 -1.00 1 217 ALA 5.90 4.20 1 218 VAL 3.50 2.00 1 219 THR 2.90 2.20 1 220 PHE 0.00 0.20 1 221 LYS 3.70 3.50 1 222 ASP -0.20 -0.80 1 224 ALA 1.80 2.20 1 225 ASP -0.60 0.20 1 226 VAL 2.10 -0.10 1 227 ASP -1.10 0.30 1 230 LEU -1.00 -1.00 1 231 VAL -1.30 -0.70 1 234 ALA 3.30 1.80 1 235 SER 1.70 2.30 1 236 LEU -0.00 -1.20 1 237 LYS -1.70 -0.20 1 239 GLU 0.80 0.60 1 240 PHE 1.90 2.50 1 241 VAL 5.10 3.90 1 242 ASP 3.90 2.90 1 243 ILE 6.10 4.90 1 244 ILE 5.50 4.30 1 245 ASN 0.00 1.00 1 246 SER 3.10 3.70 1 247 ARG 0.70 -1.20 1 248 ASN 1.40 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7216_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 4.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 8.10 _LACS_plot.Line_2_terminator_val_y_2 -1.97 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 229 PHE -8.00 6.50 0 223 LYS 1.90 -4.90 0 10 ASN -0.70 -1.10 1 11 PHE 1.20 -2.50 1 12 LYS 3.40 -2.20 1 13 LEU -2.40 -0.80 1 14 ASN -5.50 5.30 1 16 SER -6.30 3.30 1 17 LYS 8.10 -2.30 1 18 GLN 4.00 -1.00 1 19 SER 3.40 -1.10 1 20 ILE 6.30 -2.30 1 21 LYS 5.50 -1.70 1 22 GLU 3.00 -0.50 1 23 ILE 3.60 0.20 1 27 LEU 3.40 -0.90 1 28 ASN 2.20 -0.40 1 29 THR -0.70 0.70 1 30 ALA -1.70 1.00 1 31 SER 0.00 -0.90 1 32 ILE -2.00 0.90 1 34 GLU 1.40 -0.10 1 35 ASN 0.60 -1.60 1 36 VAL -3.90 1.70 1 37 GLU -3.40 2.20 1 38 VAL -1.30 0.90 1 44 ALA 4.10 -2.00 1 45 THR 2.20 -0.10 1 46 TYR -3.70 1.90 1 47 LEU 4.00 0.70 1 48 ASP 1.90 0.40 1 49 TYR 1.00 0.80 1 51 VAL 6.10 -1.60 1 52 SER 3.20 -0.40 1 53 LEU -2.80 2.60 1 54 VAL 3.80 -0.70 1 55 LYS -2.20 0.70 1 56 LYS -3.50 1.60 1 58 GLN 2.80 -0.60 1 59 VAL -0.50 -0.90 1 60 THR -4.70 2.70 1 61 VAL -2.70 0.70 1 63 ALA -7.80 3.90 1 64 GLN 1.00 0.40 1 65 ASN -1.40 1.60 1 66 ALA -3.30 2.50 1 67 TYR -1.90 0.50 1 68 LEU 2.40 -3.60 1 69 LYS -6.40 3.30 1 70 ALA -0.50 1.10 1 71 SER -4.20 2.20 1 73 ALA 1.90 -3.80 1 74 PHE -3.30 -0.60 1 75 THR 4.50 0.60 1 77 GLU -4.00 2.20 1 78 ASN -2.00 -0.10 1 79 SER -6.30 1.00 1 80 VAL 4.70 -1.40 1 81 ASP 3.40 -0.50 1 82 GLN 4.00 -2.40 1 83 ILE 5.20 -1.20 1 84 LYS 3.50 -0.80 1 85 ASP 1.40 1.30 1 86 VAL 0.40 -1.90 1 88 ALA -1.80 0.90 1 93 LEU -6.10 3.60 1 95 HIS 1.70 3.10 1 98 ARG 6.00 -4.20 1 99 ARG 3.70 -0.80 1 100 SER 0.80 -0.10 1 101 TYR 2.80 -1.20 1 102 PHE 0.50 -0.80 1 103 HIS 3.90 -2.70 1 104 GLU 3.20 -1.20 1 105 ASP -3.30 1.40 1 106 ASP 3.90 0.40 1 107 LYS -2.20 4.40 1 109 ILE 4.90 -2.00 1 110 ALA 3.40 0.20 1 111 ASP 3.40 -0.50 1 117 LEU 2.30 -0.60 1 119 GLN -2.20 0.10 1 121 VAL -2.20 0.40 1 123 VAL -5.80 4.00 1 127 ILE -4.60 2.80 1 129 GLU -3.10 0.80 1 130 THR -3.20 2.20 1 131 LEU 4.60 -0.90 1 132 GLU 4.20 -1.10 1 133 GLU 2.30 -0.10 1 134 LYS 3.00 -0.50 1 135 LYS 4.00 -1.30 1 136 ALA -0.70 -0.10 1 138 LYS -0.30 -1.00 1 140 LEU 4.70 -2.80 1 141 ASP 3.10 -0.20 1 142 VAL 5.70 -1.30 1 143 VAL 5.10 -1.90 1 144 GLU 4.90 -2.20 1 145 ARG 5.30 -1.60 1 146 GLN 3.60 -0.40 1 147 LEU 1.90 0.20 1 148 ASN 3.70 -0.70 1 149 ALA 3.10 -0.70 1 150 VAL 5.10 -1.20 1 151 LEU 2.30 -0.70 1 152 GLU 2.00 0.00 1 153 GLU -3.20 2.00 1 155 LYS -1.10 -0.50 1 156 ASP -2.30 1.10 1 157 PHE 0.20 -1.60 1 158 THR 6.60 -0.90 1 159 ASN -0.70 -0.10 1 160 VAL -2.60 0.90 1 162 VAL -2.30 0.70 1 163 ALA -4.30 3.10 1 167 VAL 7.10 -2.70 1 168 TRP -0.80 -0.40 1 169 ALA -0.30 -1.00 1 170 ILE 2.00 -1.80 1 172 THR -2.40 1.70 1 174 LEU -1.10 0.30 1 175 ALA -3.20 1.90 1 176 ALA -2.70 0.80 1 177 THR -0.30 0.00 1 179 GLU 5.10 -1.30 1 180 ASP 3.20 0.00 1 181 ALA 3.10 -0.80 1 182 GLN 4.30 -2.50 1 183 ASP 2.90 0.40 1 184 ILE 2.90 -1.30 1 185 HIS 5.50 0.10 1 186 ALA 4.40 -1.50 1 187 SER 4.90 -0.70 1 192 LEU 4.40 -2.00 1 193 ALA 3.70 -1.90 1 194 SER 3.10 -0.60 1 195 LYS -0.80 0.30 1 196 LEU -2.80 1.90 1 198 ASP 3.30 0.20 1 199 LYS 4.80 -1.50 1 200 ALA 2.40 -0.40 1 201 ALA 3.60 -1.30 1 202 SER 2.90 -0.40 1 203 GLU -1.30 0.80 1 204 LEU -1.40 0.80 1 205 ARG 1.80 -1.10 1 211 SER 1.80 -1.30 1 212 ALA -2.60 1.10 1 213 ASN -2.70 1.00 1 215 SER 1.40 0.20 1 216 ASN -1.30 0.30 1 217 ALA 5.90 -1.70 1 218 VAL 3.50 -1.50 1 219 THR 2.90 -0.70 1 220 PHE 0.00 0.20 1 221 LYS 3.70 -0.20 1 222 ASP -0.20 -0.60 1 224 ALA 1.80 0.40 1 225 ASP -0.60 0.80 1 226 VAL 2.10 -2.20 1 227 ASP -1.10 1.40 1 230 LEU -1.00 0.00 1 231 VAL -1.30 0.60 1 234 ALA 3.30 -1.50 1 235 SER 1.70 0.60 1 236 LEU -0.00 -1.20 1 237 LYS -1.70 1.50 1 239 GLU 0.80 -0.20 1 240 PHE 1.90 0.60 1 241 VAL 5.10 -1.20 1 242 ASP 3.90 -1.00 1 243 ILE 6.10 -1.20 1 244 ILE 5.50 -1.20 1 245 ASN 0.00 1.00 1 246 SER 3.10 0.60 1 247 ARG 0.70 -1.90 1 248 ASN 1.40 0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7216_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.70 _LACS_plot.Line_2_terminator_val_x_2 8.10 _LACS_plot.Line_2_terminator_val_y_2 3.13 _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 68 LEU 2.40 -6.40 0 10 ASN -0.70 -1.50 1 11 PHE 1.20 0.00 1 12 LYS 3.40 -1.10 1 13 LEU -2.40 -2.90 1 14 ASN -5.50 -2.40 1 16 SER -6.30 -0.40 1 17 LYS 8.10 3.20 1 18 GLN 4.00 2.60 1 19 SER 3.40 3.30 1 20 ILE 6.30 0.90 1 21 LYS 5.50 1.30 1 22 GLU 3.00 3.10 1 23 ILE 3.60 2.40 1 27 LEU 3.40 0.50 1 28 ASN 2.20 3.00 1 29 THR -0.70 0.00 1 30 ALA -1.70 -0.70 1 31 SER 0.00 -0.60 1 32 ILE -2.00 -1.50 1 34 GLU 1.40 0.60 1 35 ASN 0.60 -1.40 1 36 VAL -3.90 -2.60 1 37 GLU -3.40 -3.30 1 38 VAL -1.30 -0.10 1 44 ALA 4.10 1.10 1 45 THR 2.20 0.30 1 46 TYR -3.70 0.70 1 47 LEU 4.00 -1.10 1 48 ASP 1.90 1.50 1 49 TYR 1.00 3.00 1 51 VAL 6.10 3.30 1 52 SER 3.20 0.70 1 53 LEU -2.80 1.00 1 54 VAL 3.80 0.80 1 55 LYS -2.20 -0.50 1 56 LYS -3.50 0.70 1 58 GLN 2.80 -1.70 1 59 VAL -0.50 -2.00 1 60 THR -4.70 -2.10 1 61 VAL -2.70 -1.10 1 63 ALA -7.80 0.70 1 64 GLN 1.00 -2.40 1 65 ASN -1.40 -1.50 1 66 ALA -3.30 -3.40 1 67 TYR -1.90 -0.40 1 69 LYS -6.40 0.20 1 70 ALA -0.50 0.50 1 71 SER -4.20 -1.70 1 73 ALA 1.90 -3.60 1 74 PHE -3.30 -1.50 1 75 THR 4.50 1.10 1 77 GLU -4.00 -1.00 1 78 ASN -2.00 -0.90 1 79 SER -6.30 2.80 1 80 VAL 4.70 -0.10 1 81 ASP 3.40 3.10 1 82 GLN 4.00 1.50 1 83 ILE 5.20 0.80 1 84 LYS 3.50 4.40 1 85 ASP 1.40 1.20 1 86 VAL 0.40 -0.60 1 88 ALA -1.80 0.50 1 93 LEU -6.10 -0.70 1 95 HIS 1.70 3.10 1 98 ARG 6.00 0.70 1 99 ARG 3.70 1.50 1 100 SER 0.80 2.20 1 101 TYR 2.80 1.20 1 102 PHE 0.50 -0.90 1 103 HIS 3.90 0.50 1 104 GLU 3.20 -1.50 1 105 ASP -3.30 -0.60 1 106 ASP 3.90 2.00 1 107 LYS -2.20 0.80 1 109 ILE 4.90 3.20 1 110 ALA 3.40 1.10 1 111 ASP 3.40 4.90 1 117 LEU 2.30 5.50 1 119 GLN -2.20 0.40 1 121 VAL -2.20 -2.00 1 123 VAL -5.80 -1.10 1 127 ILE -4.60 -1.80 1 129 GLU -3.10 -2.50 1 130 THR -3.20 1.60 1 131 LEU 4.60 0.50 1 132 GLU 4.20 3.60 1 133 GLU 2.30 1.70 1 134 LYS 3.00 5.10 1 135 LYS 4.00 1.30 1 136 ALA -0.70 -0.30 1 138 LYS -0.30 -1.30 1 140 LEU 4.70 0.70 1 141 ASP 3.10 3.30 1 142 VAL 5.70 1.60 1 143 VAL 5.10 2.40 1 144 GLU 4.90 1.60 1 145 ARG 5.30 3.80 1 146 GLN 3.60 4.60 1 147 LEU 1.90 1.90 1 148 ASN 3.70 3.00 1 149 ALA 3.10 1.90 1 150 VAL 5.10 1.80 1 151 LEU 2.30 0.70 1 152 GLU 2.00 1.20 1 153 GLU -3.20 -0.50 1 155 LYS -1.10 -1.00 1 156 ASP -2.30 -0.80 1 157 PHE 0.20 0.60 1 158 THR 6.60 0.70 1 159 ASN -0.70 -2.80 1 160 VAL -2.60 -1.40 1 167 VAL 7.10 1.00 1 168 TRP -0.80 -1.80 1 169 ALA -0.30 -0.70 1 170 ILE 2.00 0.50 1 172 THR -2.40 1.50 1 174 LEU -1.10 -2.00 1 175 ALA -3.20 -1.50 1 176 ALA -2.70 0.20 1 177 THR -0.30 1.00 1 179 GLU 5.10 2.20 1 180 ASP 3.20 2.70 1 181 ALA 3.10 -0.60 1 182 GLN 4.30 1.10 1 183 ASP 2.90 3.10 1 184 ILE 2.90 2.10 1 185 HIS 5.50 4.10 1 186 ALA 4.40 3.70 1 187 SER 4.90 2.80 1 192 LEU 4.40 1.60 1 193 ALA 3.70 2.80 1 194 SER 3.10 0.00 1 195 LYS -0.80 1.00 1 196 LEU -2.80 0.70 1 198 ASP 3.30 2.60 1 199 LYS 4.80 3.00 1 200 ALA 2.40 4.10 1 201 ALA 3.60 0.70 1 202 SER 2.90 1.30 1 203 GLU -1.30 -0.60 1 204 LEU -1.40 -2.40 1 205 ARG 1.80 -1.60 1 211 SER 1.80 0.00 1 212 ALA -2.60 -2.20 1 213 ASN -2.70 -0.50 1 215 SER 1.40 1.40 1 216 ASN -1.30 5.50 1 217 ALA 5.90 3.60 1 218 VAL 3.50 1.50 1 219 THR 2.90 0.50 1 220 PHE 0.00 1.70 1 221 LYS 3.70 -1.00 1 222 ASP -0.20 -0.60 1 223 LYS 1.90 0.20 1 224 ALA 1.80 0.20 1 225 ASP -0.60 -1.50 1 226 VAL 2.10 -1.50 1 227 ASP -1.10 -2.80 1 229 PHE -8.00 -1.30 1 230 LEU -1.00 -2.80 1 231 VAL -1.30 -1.00 1 234 ALA 3.30 0.50 1 235 SER 1.70 -0.80 1 236 LEU -0.00 -0.70 1 237 LYS -1.70 2.00 1 239 GLU 0.80 -0.20 1 240 PHE 1.90 2.40 1 241 VAL 5.10 1.10 1 242 ASP 3.90 3.20 1 243 ILE 6.10 3.30 1 244 ILE 5.50 -1.10 1 245 ASN 0.00 1.90 1 246 SER 3.10 0.20 1 247 ARG 0.70 -0.90 1 248 ASN 1.40 5.20 1 stop_ save_