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 bmr6311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 -3.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.59 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 4.89 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 HIS -8.10 -0.60 0 147 TYR -8.20 -0.30 0 10 THR 0.00 0.50 1 11 SER -0.10 0.50 1 12 GLN 0.20 0.50 1 13 ALA 0.30 0.30 1 14 LEU -0.10 0.30 1 15 TYR -0.40 -0.10 1 16 SER -1.00 -0.20 1 17 ASP 0.10 0.50 1 18 PHE -1.40 -0.50 1 19 SER 1.50 2.10 1 22 GLU 2.40 1.80 1 24 LEU 3.90 3.30 1 25 GLU 4.20 3.30 1 26 GLU 4.30 3.40 1 27 LEU 3.20 3.80 1 28 LEU 2.60 1.00 1 29 SER 0.50 0.70 1 30 ALA 0.80 0.40 1 34 ASP -1.00 -1.00 1 35 LEU 3.60 3.80 1 36 VAL -2.60 -3.30 1 37 ALA 2.70 3.00 1 38 GLN 4.20 4.70 1 39 ARG 5.90 5.20 1 40 HIS 3.00 4.50 1 41 HIS -1.80 1.50 1 43 TRP -0.50 -0.70 1 44 ASN -3.00 -1.30 1 46 LYS -0.00 -1.30 1 47 ASP -1.00 -2.00 1 49 SER -0.80 -1.00 1 50 GLU 2.20 1.90 1 51 ASN 0.30 -0.40 1 52 ILE -2.70 -1.00 1 53 ASP -3.50 -1.10 1 54 VAL 3.10 2.20 1 55 LYS -5.00 -1.20 1 56 GLU 1.50 0.70 1 59 LEU 3.70 2.10 1 61 PHE -3.00 -1.30 1 66 VAL -1.70 -0.70 1 67 ALA -0.70 -0.10 1 71 ASP -0.90 0.70 1 73 VAL -3.30 -2.60 1 74 ARG -5.20 -0.90 1 76 LYS 0.80 3.50 1 77 ARG -2.70 -2.50 1 79 TYR -2.20 -1.60 1 80 SER -0.90 -0.30 1 81 ARG -4.40 -1.90 1 83 LEU -2.80 -1.40 1 85 ALA -5.50 -2.40 1 86 TRP -2.70 -0.70 1 87 GLU -5.90 -1.90 1 88 ILE -4.20 -4.20 1 89 SER -2.30 -1.20 1 90 TRP -4.80 -2.70 1 92 LEU 5.10 4.60 1 93 GLU 2.80 0.80 1 95 ARG 2.30 2.20 1 97 THR 2.10 2.20 1 101 VAL -3.70 -0.70 1 103 VAL -8.70 -2.70 1 104 ALA -6.40 -1.10 1 105 THR -1.20 0.00 1 106 ALA 1.70 1.40 1 107 LEU -0.60 -0.40 1 108 ALA 1.10 0.90 1 110 LEU -0.90 -1.40 1 111 GLN -3.00 0.00 1 112 ALA -4.50 -1.30 1 121 SER 0.80 0.70 1 123 SER 2.20 1.40 1 124 GLU -1.90 -2.30 1 125 SER -2.00 0.30 1 126 TRP -2.60 1.10 1 128 TRP -6.40 -3.80 1 129 ASP -0.70 -1.00 1 132 ARG -2.10 0.00 1 134 LYS -5.90 -1.90 1 136 TYR -4.50 -2.50 1 137 HIS 2.70 4.10 1 138 GLN 3.60 1.50 1 139 SER -0.30 1.10 1 140 LYS 1.00 0.30 1 142 LEU -0.20 -0.10 1 143 GLU 0.60 0.20 1 144 ALA -1.70 0.40 1 146 GLN -1.60 -0.10 1 149 ALA -0.70 0.10 1 152 GLN 2.80 2.10 1 154 GLU 0.80 0.90 1 155 GLN 0.40 -0.10 1 156 LEU 0.30 0.80 1 157 VAL -1.20 -0.20 1 158 VAL 1.80 1.40 1 160 GLU 2.50 3.20 1 161 ARG -3.70 -1.70 1 162 LEU -2.90 -0.10 1 163 LEU -3.50 -1.10 1 164 VAL 1.70 0.20 1 165 VAL 0.60 0.20 1 166 LEU -3.60 -1.40 1 167 ASP -2.00 -1.80 1 169 GLU 2.30 1.30 1 170 GLU -1.90 -0.70 1 172 THR -6.00 -2.60 1 173 LEU -6.40 -2.20 1 175 TYR -5.60 -1.40 1 176 SER -3.70 -1.90 1 180 THR -0.40 0.20 1 181 TYR 1.00 0.60 1 182 LEU 2.30 0.50 1 185 ALA -0.20 0.80 1 186 PHE -5.90 -1.60 1 187 ARG -4.20 -1.70 1 189 LEU 1.60 0.20 1 190 LYS 3.50 3.10 1 192 ARG -3.10 -1.50 1 193 THR 1.00 1.30 1 197 SER -2.00 0.20 1 198 VAL -6.30 -2.10 1 199 SER -1.70 0.80 1 200 ALA -7.90 -1.00 1 204 GLN -7.70 -3.20 1 206 GLN -1.70 -1.40 1 207 VAL -0.40 -1.40 1 208 ARG -2.00 -0.70 1 209 ILE -4.20 -2.10 1 210 ARG -3.30 -1.40 1 211 TYR 1.60 2.70 1 212 MET -0.90 -1.90 1 215 ARG 0.40 0.60 1 216 ARG -0.40 0.00 1 217 VAL 1.10 0.80 1 218 GLU 0.30 0.60 1 219 GLU 0.80 0.70 1 220 THR 1.80 1.00 1 221 ARG 0.60 0.50 1 222 ARG 0.40 0.40 1 223 ILE 0.20 0.10 1 224 HIS -0.40 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 5.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.41 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 -1.01 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 HIS -8.10 7.50 0 147 TYR -8.20 7.90 0 10 THR 0.00 0.50 1 11 SER -0.10 0.60 1 12 GLN 0.20 0.30 1 13 ALA 0.30 0.00 1 14 LEU -0.10 0.40 1 15 TYR -0.40 0.30 1 16 SER -1.00 0.80 1 17 ASP 0.10 0.40 1 18 PHE -1.40 0.90 1 19 SER 1.50 0.60 1 22 GLU 2.40 -0.60 1 24 LEU 3.90 -0.60 1 25 GLU 4.20 -0.90 1 26 GLU 4.30 -0.90 1 27 LEU 3.20 0.60 1 28 LEU 2.60 -1.60 1 29 SER 0.50 0.20 1 30 ALA 0.80 -0.40 1 34 ASP -1.00 0.00 1 35 LEU 3.60 0.20 1 36 VAL -2.60 -0.70 1 37 ALA 2.70 0.30 1 38 GLN 4.20 0.50 1 39 ARG 5.90 -0.70 1 40 HIS 3.00 1.50 1 41 HIS -1.80 3.30 1 43 TRP -0.50 -0.20 1 44 ASN -3.00 1.70 1 46 LYS -0.00 -1.30 1 47 ASP -1.00 -1.00 1 49 SER -0.80 -0.20 1 50 GLU 2.20 -0.30 1 51 ASN 0.30 -0.70 1 52 ILE -2.70 1.70 1 53 ASP -3.50 2.40 1 54 VAL 3.10 -0.90 1 55 LYS -5.00 3.80 1 56 GLU 1.50 -0.80 1 59 LEU 3.70 -1.60 1 61 PHE -3.00 1.70 1 66 VAL -1.70 1.00 1 67 ALA -0.70 0.60 1 71 ASP -0.90 1.60 1 73 VAL -3.30 0.70 1 74 ARG -5.20 4.30 1 76 LYS 0.80 2.70 1 77 ARG -2.70 0.20 1 79 TYR -2.20 0.60 1 80 SER -0.90 0.60 1 81 ARG -4.40 2.50 1 83 LEU -2.80 1.40 1 85 ALA -5.50 3.10 1 86 TRP -2.70 2.00 1 87 GLU -5.90 4.00 1 88 ILE -4.20 0.00 1 89 SER -2.30 1.10 1 90 TRP -4.80 2.10 1 92 LEU 5.10 -0.50 1 93 GLU 2.80 -2.00 1 95 ARG 2.30 -0.10 1 97 THR 2.10 0.10 1 101 VAL -3.70 3.00 1 103 VAL -8.70 6.00 1 104 ALA -6.40 5.30 1 105 THR -1.20 1.20 1 106 ALA 1.70 -0.30 1 107 LEU -0.60 0.20 1 108 ALA 1.10 -0.20 1 110 LEU -0.90 -0.50 1 111 GLN -3.00 3.00 1 112 ALA -4.50 3.20 1 121 SER 0.80 -0.10 1 123 SER 2.20 -0.80 1 124 GLU -1.90 -0.40 1 125 SER -2.00 2.30 1 126 TRP -2.60 3.70 1 128 TRP -6.40 2.60 1 129 ASP -0.70 -0.30 1 132 ARG -2.10 2.10 1 134 LYS -5.90 4.00 1 136 TYR -4.50 2.00 1 137 HIS 2.70 1.40 1 138 GLN 3.60 -2.10 1 139 SER -0.30 1.40 1 140 LYS 1.00 -0.70 1 142 LEU -0.20 0.10 1 143 GLU 0.60 -0.40 1 144 ALA -1.70 2.10 1 146 GLN -1.60 1.50 1 149 ALA -0.70 0.80 1 152 GLN 2.80 -0.70 1 154 GLU 0.80 0.10 1 155 GLN 0.40 -0.50 1 156 LEU 0.30 0.50 1 157 VAL -1.20 1.00 1 158 VAL 1.80 -0.40 1 160 GLU 2.50 0.70 1 161 ARG -3.70 2.00 1 162 LEU -2.90 2.80 1 163 LEU -3.50 2.40 1 164 VAL 1.70 -1.50 1 165 VAL 0.60 -0.40 1 166 LEU -3.60 2.20 1 167 ASP -2.00 0.20 1 169 GLU 2.30 -1.00 1 170 GLU -1.90 1.20 1 172 THR -6.00 3.40 1 173 LEU -6.40 4.20 1 175 TYR -5.60 4.20 1 176 SER -3.70 1.80 1 180 THR -0.40 0.60 1 181 TYR 1.00 -0.40 1 182 LEU 2.30 -1.80 1 185 ALA -0.20 1.00 1 186 PHE -5.90 4.30 1 187 ARG -4.20 2.50 1 189 LEU 1.60 -1.40 1 190 LYS 3.50 -0.40 1 192 ARG -3.10 1.60 1 193 THR 1.00 0.30 1 197 SER -2.00 2.20 1 198 VAL -6.30 4.20 1 199 SER -1.70 2.50 1 200 ALA -7.90 6.90 1 204 GLN -7.70 4.50 1 206 GLN -1.70 0.30 1 207 VAL -0.40 -1.00 1 208 ARG -2.00 1.30 1 209 ILE -4.20 2.10 1 210 ARG -3.30 1.90 1 211 TYR 1.60 1.10 1 212 MET -0.90 -1.00 1 215 ARG 0.40 0.20 1 216 ARG -0.40 0.40 1 217 VAL 1.10 -0.30 1 218 GLU 0.30 0.30 1 219 GLU 0.80 -0.10 1 220 THR 1.80 -0.80 1 221 ARG 0.60 -0.10 1 222 ARG 0.40 0.00 1 223 ILE 0.20 -0.10 1 224 HIS -0.40 1.90 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 -1.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 1.16 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 204 GLN -7.70 1.10 0 47 ASP -1.00 -5.00 0 147 TYR -8.20 1.00 0 38 GLN 4.20 4.60 0 39 ARG 5.90 4.30 0 10 THR 0.00 0.40 1 11 SER -0.10 0.20 1 12 GLN 0.20 -0.10 1 13 ALA 0.30 -0.10 1 14 LEU -0.10 -0.40 1 15 TYR -0.40 0.10 1 16 SER -1.00 -0.50 1 17 ASP 0.10 -0.40 1 18 PHE -1.40 -0.10 1 19 SER 1.50 -0.90 1 22 GLU 2.40 0.30 1 24 LEU 3.90 -0.10 1 25 GLU 4.20 3.10 1 26 GLU 4.30 2.90 1 27 LEU 3.20 2.20 1 28 LEU 2.60 0.60 1 29 SER 0.50 -0.70 1 30 ALA 0.80 -1.40 1 34 ASP -1.00 -0.50 1 35 LEU 3.60 1.10 1 36 VAL -2.60 2.90 1 37 ALA 2.70 3.00 1 40 HIS 3.00 1.80 1 41 HIS -1.80 0.90 1 43 TRP -0.50 -0.70 1 44 ASN -3.00 0.90 1 46 LYS -0.00 -1.00 1 49 SER -0.80 1.30 1 50 GLU 2.20 0.00 1 51 ASN 0.30 -0.30 1 52 ILE -2.70 -3.40 1 53 ASP -3.50 -0.80 1 54 VAL 3.10 -0.70 1 55 LYS -5.00 0.20 1 56 GLU 1.50 2.00 1 59 LEU 3.70 -1.10 1 61 PHE -3.00 0.30 1 66 VAL -1.70 -0.90 1 67 ALA -0.70 -0.40 1 71 ASP -0.90 -2.50 1 73 VAL -3.30 -3.50 1 74 ARG -5.20 1.30 1 76 LYS 0.80 0.20 1 77 ARG -2.70 -4.80 1 79 TYR -2.20 0.00 1 80 SER -0.90 -0.80 1 81 ARG -4.40 -0.70 1 83 LEU -2.80 -3.30 1 84 HIS -8.10 0.20 1 85 ALA -5.50 -2.00 1 86 TRP -2.70 -4.00 1 87 GLU -5.90 0.40 1 88 ILE -4.20 -0.70 1 89 SER -2.30 -0.80 1 90 TRP -4.80 -1.70 1 92 LEU 5.10 2.00 1 93 GLU 2.80 -0.20 1 95 ARG 2.30 0.70 1 97 THR 2.10 0.60 1 101 VAL -3.70 2.10 1 103 VAL -8.70 -2.50 1 104 ALA -6.40 0.50 1 105 THR -1.20 1.70 1 106 ALA 1.70 -0.80 1 107 LEU -0.60 0.80 1 108 ALA 1.10 -0.50 1 110 LEU -0.90 -2.20 1 111 GLN -3.00 -1.20 1 112 ALA -4.50 -1.20 1 121 SER 0.80 -2.00 1 123 SER 2.20 -1.30 1 124 GLU -1.90 -2.70 1 125 SER -2.00 -2.00 1 126 TRP -2.60 -0.80 1 128 TRP -6.40 -1.30 1 129 ASP -0.70 0.00 1 132 ARG -2.10 0.90 1 134 LYS -5.90 -1.20 1 137 HIS 2.70 0.30 1 138 GLN 3.60 -0.70 1 139 SER -0.30 0.50 1 140 LYS 1.00 0.60 1 142 LEU -0.20 0.10 1 143 GLU 0.60 -0.80 1 144 ALA -1.70 -1.00 1 146 GLN -1.60 -0.20 1 149 ALA -0.70 0.40 1 152 GLN 2.80 1.80 1 154 GLU 0.80 0.20 1 155 GLN 0.40 -0.60 1 156 LEU 0.30 -1.00 1 157 VAL -1.20 -0.60 1 158 VAL 1.80 0.20 1 160 GLU 2.50 -1.60 1 161 ARG -3.70 -0.90 1 162 LEU -2.90 -4.20 1 163 LEU -3.50 -2.60 1 164 VAL 1.70 -1.90 1 165 VAL 0.60 -2.30 1 166 LEU -3.60 -4.30 1 167 ASP -2.00 1.60 1 169 GLU 2.30 1.60 1 170 GLU -1.90 1.50 1 172 THR -6.00 -2.40 1 173 LEU -6.40 -2.10 1 175 TYR -5.60 -2.00 1 176 SER -3.70 -0.70 1 180 THR -0.40 -1.80 1 181 TYR 1.00 0.70 1 182 LEU 2.30 -2.20 1 185 ALA -0.20 -1.80 1 186 PHE -5.90 -1.50 1 187 ARG -4.20 -0.30 1 189 LEU 1.60 -1.40 1 190 LYS 3.50 1.50 1 192 ARG -3.10 -1.40 1 193 THR 1.00 -0.40 1 197 SER -2.00 -0.70 1 198 VAL -6.30 -1.30 1 199 SER -1.70 -2.50 1 200 ALA -7.90 -0.80 1 206 GLN -1.70 -0.90 1 207 VAL -0.40 0.70 1 208 ARG -2.00 -0.70 1 209 ILE -4.20 -2.20 1 210 ARG -3.30 -1.10 1 211 TYR 1.60 -0.90 1 212 MET -0.90 -0.80 1 215 ARG 0.40 -0.70 1 216 ARG -0.40 -0.50 1 217 VAL 1.10 0.20 1 218 GLU 0.30 0.40 1 219 GLU 0.80 0.60 1 220 THR 1.80 0.30 1 221 ARG 0.60 0.00 1 222 ARG 0.40 -0.20 1 223 ILE 0.20 -0.30 1 224 HIS -0.40 0.90 1 stop_ save_