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 bmr6429_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 -4.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.80 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 5.56 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 HIS 3.50 6.60 0 64 ILE 1.80 -3.50 0 10 VAL 5.50 2.50 1 11 GLU 0.60 3.20 1 12 ARG 2.30 1.10 1 13 ILE 6.30 4.10 1 14 LEU 6.00 2.70 1 15 GLU 3.90 2.70 1 16 ALA 4.70 3.10 1 17 GLU 2.10 2.10 1 18 LEU 3.90 1.60 1 19 ALA 3.30 1.60 1 20 VAL -0.30 -2.10 1 21 GLU 0.10 0.10 1 23 LYS 0.70 -1.00 1 24 THR 0.70 0.10 1 25 GLU 0.60 0.10 1 26 THR 0.40 -0.10 1 27 TYR 0.30 -0.40 1 28 VAL -0.10 -0.60 1 29 GLU 0.50 0.00 1 30 ALA 1.00 0.30 1 31 ASN 0.60 -0.20 1 32 MET 1.70 0.30 1 34 LEU 0.70 -0.30 1 35 ASN -0.00 -0.30 1 37 SER 0.60 -0.30 1 38 SER -1.70 -2.50 1 40 ASN -0.30 -0.60 1 41 ASP 0.10 -0.30 1 43 VAL 8.10 5.20 1 44 THR 7.10 4.50 1 45 ASN 4.80 3.10 1 46 ILE 6.60 4.80 1 48 GLN 4.90 3.00 1 49 ALA 2.90 2.30 1 50 ALA 3.40 2.90 1 51 ASP 4.00 3.00 1 52 LYS 4.20 2.80 1 53 GLN -0.60 0.20 1 54 LEU 5.00 3.10 1 55 PHE 4.30 3.20 1 57 LEU 3.70 2.70 1 58 VAL 6.60 4.10 1 59 GLU 3.30 1.70 1 60 TRP 6.30 4.20 1 61 ALA 3.90 1.80 1 62 LYS 4.00 2.50 1 63 ARG 0.80 -0.20 1 66 HIS 5.00 3.40 1 67 PHE 6.20 5.30 1 68 SER 3.10 1.80 1 69 GLU 0.20 -0.60 1 70 LEU 2.00 0.10 1 72 LEU 4.90 3.30 1 73 ASP 3.90 2.70 1 74 ASP 3.70 2.40 1 75 GLN 4.50 3.80 1 76 VAL 6.30 4.30 1 77 ILE 5.40 4.20 1 78 LEU 5.60 2.50 1 79 LEU 4.20 2.80 1 80 ARG 5.30 3.70 1 81 ALA 2.40 1.20 1 83 TRP 6.30 3.40 1 84 ASN 8.30 3.80 1 85 GLU 3.20 3.50 1 86 LEU 4.80 2.50 1 87 LEU 3.80 2.20 1 88 ILE 3.20 1.60 1 89 ALA 6.10 2.70 1 90 SER 4.90 4.10 1 91 PHE 5.80 1.80 1 92 SER 7.00 5.00 1 94 ARG 2.10 1.70 1 95 SER 2.70 1.50 1 96 ILE 4.90 3.70 1 97 ALA -0.10 -0.20 1 98 VAL -2.10 -2.40 1 99 LYS -0.10 -0.80 1 100 ASP 2.20 0.70 1 102 ILE -5.40 -3.20 1 103 LEU -2.10 -2.30 1 104 LEU -1.80 -1.90 1 105 ALA 2.40 1.50 1 106 THR -0.40 -1.60 1 108 LEU -1.80 -1.20 1 109 HIS -3.50 -0.70 1 110 VAL -1.00 -1.30 1 111 HIS -1.50 1.80 1 112 ARG 4.80 3.80 1 114 SER 4.00 1.80 1 115 ALA 4.90 2.10 1 116 HIS 3.90 5.20 1 117 SER 4.60 2.80 1 118 ALA -1.00 -0.90 1 120 VAL -0.20 -3.40 1 124 PHE 3.60 4.40 1 125 ASP 4.90 2.90 1 126 ARG 6.30 4.30 1 127 VAL 7.70 4.40 1 128 LEU 4.90 2.70 1 129 THR 3.80 3.30 1 130 GLU -2.10 0.60 1 131 LEU 1.10 0.30 1 132 VAL 6.90 5.10 1 133 SER 5.00 3.20 1 134 LYS 3.80 0.70 1 135 MET 6.40 4.60 1 136 ARG 4.70 2.90 1 137 ASP 4.00 2.80 1 138 MET -0.90 -0.40 1 139 GLN 4.30 0.20 1 140 MET 0.00 1.10 1 141 ASP -1.90 -1.60 1 142 LYS 4.20 2.80 1 143 THR 4.80 5.60 1 144 GLU 3.50 3.10 1 145 LEU 5.00 1.90 1 148 LEU 5.00 3.10 1 149 ARG 7.10 5.10 1 150 ALA 3.90 2.40 1 151 ILE 7.00 5.50 1 153 LEU 4.00 2.60 1 154 PHE -1.00 -0.80 1 155 ASN 3.80 4.40 1 157 ASP 0.70 0.10 1 158 SER 2.30 1.30 1 159 LYS 2.70 0.80 1 161 LEU 0.00 -0.50 1 162 SER 4.00 2.40 1 163 ASN 0.90 -0.60 1 165 ALA 4.20 2.30 1 166 GLU 2.70 1.50 1 167 VAL 6.70 4.40 1 168 GLU 4.00 2.70 1 169 ALA 4.10 2.10 1 170 LEU 6.30 2.40 1 171 ARG 5.70 4.20 1 172 GLU 0.70 0.70 1 173 LYS 4.10 2.80 1 174 VAL 6.60 4.50 1 175 TYR 5.40 2.50 1 176 ALA 4.40 2.50 1 177 SER 4.40 3.00 1 178 LEU 4.30 2.60 1 179 GLU 6.30 3.90 1 180 ALA 4.10 2.20 1 181 TYR 4.90 3.40 1 183 LYS 4.20 2.60 1 184 HIS 1.40 2.70 1 185 LYS 1.60 -0.10 1 186 TYR -1.10 -1.90 1 188 GLU 1.70 -0.70 1 189 GLN -3.50 -3.40 1 192 ARG 4.40 4.10 1 193 PHE 3.30 2.20 1 194 ALA 3.70 1.80 1 195 LYS 5.20 3.60 1 196 LEU 5.10 4.60 1 203 LEU 3.60 2.80 1 204 ARG 4.50 0.10 1 222 ASP 1.20 0.80 1 223 THR -1.60 -2.20 1 229 LEU 3.20 1.80 1 230 MET 4.50 3.00 1 231 GLU 3.20 1.90 1 232 MET 1.90 1.40 1 233 LEU 2.10 1.10 1 234 GLU 0.10 -0.10 1 235 ALA 1.00 0.10 1 237 HIS -0.30 0.70 1 238 GLN 0.30 -0.20 1 239 MET 1.00 0.10 1 240 THR 0.60 1.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6429_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 1.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -2.74 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 HIS 3.50 3.10 0 64 ILE 1.80 -5.30 0 10 VAL 5.50 -3.00 1 11 GLU 0.60 2.60 1 12 ARG 2.30 -1.20 1 13 ILE 6.30 -2.20 1 14 LEU 6.00 -3.30 1 15 GLU 3.90 -1.20 1 16 ALA 4.70 -1.60 1 17 GLU 2.10 0.00 1 18 LEU 3.90 -2.30 1 19 ALA 3.30 -1.70 1 20 VAL -0.30 -1.80 1 21 GLU 0.10 0.00 1 23 LYS 0.70 -1.70 1 24 THR 0.70 -0.60 1 25 GLU 0.60 -0.50 1 26 THR 0.40 -0.50 1 27 TYR 0.30 -0.70 1 28 VAL -0.10 -0.50 1 29 GLU 0.50 -0.50 1 30 ALA 1.00 -0.70 1 31 ASN 0.60 -0.80 1 32 MET 1.70 -1.40 1 34 LEU 0.70 -1.00 1 35 ASN -0.00 -0.30 1 37 SER 0.60 -0.90 1 38 SER -1.70 -0.80 1 40 ASN -0.30 -0.30 1 41 ASP 0.10 -0.40 1 43 VAL 8.10 -2.90 1 44 THR 7.10 -2.60 1 45 ASN 4.80 -1.70 1 46 ILE 6.60 -1.80 1 48 GLN 4.90 -1.90 1 49 ALA 2.90 -0.60 1 50 ALA 3.40 -0.50 1 51 ASP 4.00 -1.00 1 52 LYS 4.20 -1.40 1 53 GLN -0.60 0.80 1 54 LEU 5.00 -1.90 1 55 PHE 4.30 -1.10 1 57 LEU 3.70 -1.00 1 58 VAL 6.60 -2.50 1 59 GLU 3.30 -1.60 1 60 TRP 6.30 -2.10 1 61 ALA 3.90 -2.10 1 62 LYS 4.00 -1.50 1 63 ARG 0.80 -1.00 1 66 HIS 5.00 -1.60 1 67 PHE 6.20 -0.90 1 68 SER 3.10 -1.30 1 69 GLU 0.20 -0.80 1 70 LEU 2.00 -1.90 1 72 LEU 4.90 -1.60 1 73 ASP 3.90 -1.20 1 74 ASP 3.70 -1.30 1 75 GLN 4.50 -0.70 1 76 VAL 6.30 -2.00 1 77 ILE 5.40 -1.20 1 78 LEU 5.60 -3.10 1 79 LEU 4.20 -1.40 1 80 ARG 5.30 -1.60 1 81 ALA 2.40 -1.20 1 83 TRP 6.30 -2.90 1 84 ASN 8.30 -4.50 1 85 GLU 3.20 0.30 1 86 LEU 4.80 -2.30 1 87 LEU 3.80 -1.60 1 88 ILE 3.20 -1.60 1 89 ALA 6.10 -3.40 1 90 SER 4.90 -0.80 1 91 PHE 5.80 -4.00 1 92 SER 7.00 -2.00 1 94 ARG 2.10 -0.40 1 95 SER 2.70 -1.20 1 96 ILE 4.90 -1.20 1 97 ALA -0.10 -0.10 1 98 VAL -2.10 -0.30 1 99 LYS -0.10 -0.70 1 100 ASP 2.20 -1.50 1 102 ILE -5.40 2.20 1 103 LEU -2.10 -0.20 1 104 LEU -1.80 -0.10 1 105 ALA 2.40 -0.90 1 106 THR -0.40 -1.20 1 108 LEU -1.80 0.60 1 109 HIS -3.50 2.80 1 110 VAL -1.00 -0.30 1 111 HIS -1.50 3.30 1 112 ARG 4.80 -1.00 1 114 SER 4.00 -2.20 1 115 ALA 4.90 -2.80 1 116 HIS 3.90 1.30 1 117 SER 4.60 -1.80 1 118 ALA -1.00 0.10 1 120 VAL -0.20 -3.20 1 124 PHE 3.60 0.80 1 125 ASP 4.90 -2.00 1 126 ARG 6.30 -2.00 1 127 VAL 7.70 -3.30 1 128 LEU 4.90 -2.20 1 129 THR 3.80 -0.50 1 130 GLU -2.10 2.70 1 131 LEU 1.10 -0.80 1 132 VAL 6.90 -1.80 1 133 SER 5.00 -1.80 1 134 LYS 3.80 -3.10 1 135 MET 6.40 -1.80 1 136 ARG 4.70 -1.80 1 137 ASP 4.00 -1.20 1 138 MET -0.90 0.50 1 139 GLN 4.30 -4.10 1 140 MET 0.00 1.10 1 141 ASP -1.90 0.30 1 142 LYS 4.20 -1.40 1 143 THR 4.80 0.80 1 144 GLU 3.50 -0.40 1 145 LEU 5.00 -3.10 1 148 LEU 5.00 -1.90 1 149 ARG 7.10 -2.00 1 150 ALA 3.90 -1.50 1 151 ILE 7.00 -1.50 1 153 LEU 4.00 -1.40 1 154 PHE -1.00 0.20 1 155 ASN 3.80 0.60 1 157 ASP 0.70 -0.60 1 158 SER 2.30 -1.00 1 159 LYS 2.70 -1.90 1 161 LEU 0.00 -0.50 1 162 SER 4.00 -1.60 1 163 ASN 0.90 -1.50 1 165 ALA 4.20 -1.90 1 166 GLU 2.70 -1.20 1 167 VAL 6.70 -2.30 1 168 GLU 4.00 -1.30 1 169 ALA 4.10 -2.00 1 170 LEU 6.30 -3.90 1 171 ARG 5.70 -1.50 1 172 GLU 0.70 0.00 1 173 LYS 4.10 -1.30 1 174 VAL 6.60 -2.10 1 175 TYR 5.40 -2.90 1 176 ALA 4.40 -1.90 1 177 SER 4.40 -1.40 1 178 LEU 4.30 -1.70 1 179 GLU 6.30 -2.40 1 180 ALA 4.10 -1.90 1 181 TYR 4.90 -1.50 1 183 LYS 4.20 -1.60 1 184 HIS 1.40 1.30 1 185 LYS 1.60 -1.70 1 186 TYR -1.10 -0.80 1 188 GLU 1.70 -2.40 1 189 GLN -3.50 0.10 1 192 ARG 4.40 -0.30 1 193 PHE 3.30 -1.10 1 194 ALA 3.70 -1.90 1 195 LYS 5.20 -1.60 1 196 LEU 5.10 -0.50 1 203 LEU 3.60 -0.80 1 204 ARG 4.50 -4.40 1 222 ASP 1.20 -0.40 1 223 THR -1.60 -0.60 1 229 LEU 3.20 -1.40 1 230 MET 4.50 -1.50 1 231 GLU 3.20 -1.30 1 232 MET 1.90 -0.50 1 233 LEU 2.10 -1.00 1 234 GLU 0.10 -0.20 1 235 ALA 1.00 -0.90 1 237 HIS -0.30 1.00 1 238 GLN 0.30 -0.50 1 239 MET 1.00 -0.90 1 240 THR 0.60 0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6429_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 -2.52 _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 -0.47 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 2.79 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 PHE -1.00 5.50 0 10 VAL 5.50 2.00 1 11 GLU 0.60 3.60 1 12 ARG 2.30 2.80 1 13 ILE 6.30 1.10 1 14 LEU 6.00 0.80 1 15 GLU 3.90 2.60 1 16 ALA 4.70 1.30 1 17 GLU 2.10 3.90 1 18 LEU 3.90 2.30 1 19 ALA 3.30 1.80 1 20 VAL -0.30 -0.30 1 21 GLU 0.10 -0.20 1 23 LYS 0.70 0.40 1 24 THR 0.70 0.10 1 25 GLU 0.60 0.00 1 26 THR 0.40 -0.60 1 27 TYR 0.30 -0.10 1 28 VAL -0.10 -0.30 1 29 GLU 0.50 0.30 1 30 ALA 1.00 0.00 1 31 ASN 0.60 0.30 1 32 MET 1.70 0.60 1 34 LEU 0.70 -0.60 1 35 ASN -0.00 -0.10 1 37 SER 0.60 -0.20 1 38 SER -1.70 -1.70 1 40 ASN -0.30 -0.80 1 41 ASP 0.10 -1.30 1 43 VAL 8.10 1.10 1 44 THR 7.10 2.50 1 45 ASN 4.80 3.30 1 46 ILE 6.60 0.80 1 48 GLN 4.90 3.40 1 49 ALA 2.90 0.50 1 50 ALA 3.40 1.40 1 51 ASP 4.00 2.50 1 52 LYS 4.20 2.80 1 53 GLN -0.60 3.70 1 54 LEU 5.00 1.20 1 55 PHE 4.30 2.10 1 57 LEU 3.70 1.00 1 58 VAL 6.60 0.50 1 59 GLU 3.30 2.10 1 60 TRP 6.30 0.50 1 61 ALA 3.90 1.40 1 62 LYS 4.00 2.20 1 63 ARG 0.80 0.20 1 64 ILE 1.80 -0.10 1 66 HIS 5.00 2.10 1 67 PHE 6.20 1.30 1 68 SER 3.10 -0.30 1 69 GLU 0.20 1.50 1 70 LEU 2.00 -0.80 1 72 LEU 4.90 0.90 1 73 ASP 3.90 2.80 1 74 ASP 3.70 1.20 1 75 GLN 4.50 2.70 1 76 VAL 6.30 1.70 1 77 ILE 5.40 2.70 1 78 LEU 5.60 4.00 1 79 LEU 4.20 1.20 1 80 ARG 5.30 2.20 1 81 ALA 2.40 2.50 1 83 TRP 6.30 -1.00 1 84 ASN 8.30 0.90 1 85 GLU 3.20 1.90 1 86 LEU 4.80 3.10 1 87 LEU 3.80 2.60 1 88 ILE 3.20 2.60 1 89 ALA 6.10 0.10 1 90 SER 4.90 3.60 1 91 PHE 5.80 3.30 1 92 SER 7.00 -0.30 1 93 HIS 3.50 4.60 1 94 ARG 2.10 1.80 1 95 SER 2.70 -1.10 1 96 ILE 4.90 0.40 1 97 ALA -0.10 -0.60 1 98 VAL -2.10 -1.10 1 99 LYS -0.10 0.10 1 100 ASP 2.20 -2.10 1 102 ILE -5.40 -3.10 1 103 LEU -2.10 -2.30 1 104 LEU -1.80 3.30 1 105 ALA 2.40 -0.40 1 106 THR -0.40 0.90 1 108 LEU -1.80 -2.60 1 109 HIS -3.50 1.60 1 110 VAL -1.00 -1.90 1 111 HIS -1.50 2.50 1 112 ARG 4.80 1.60 1 114 SER 4.00 2.00 1 115 ALA 4.90 1.40 1 116 HIS 3.90 6.10 1 117 SER 4.60 0.10 1 118 ALA -1.00 -0.30 1 120 VAL -0.20 -0.90 1 124 PHE 3.60 1.50 1 125 ASP 4.90 3.60 1 126 ARG 6.30 2.50 1 127 VAL 7.70 2.80 1 128 LEU 4.90 1.70 1 129 THR 3.80 1.30 1 130 GLU -2.10 0.00 1 131 LEU 1.10 -1.30 1 132 VAL 6.90 2.60 1 133 SER 5.00 1.40 1 134 LYS 3.80 3.00 1 135 MET 6.40 1.30 1 136 ARG 4.70 3.80 1 137 ASP 4.00 1.60 1 138 MET -0.90 -1.20 1 139 GLN 4.30 0.10 1 140 MET 0.00 0.90 1 141 ASP -1.90 0.10 1 142 LYS 4.20 2.50 1 143 THR 4.80 1.80 1 144 GLU 3.50 2.10 1 145 LEU 5.00 1.30 1 148 LEU 5.00 1.60 1 149 ARG 7.10 1.30 1 150 ALA 3.90 0.60 1 151 ILE 7.00 2.10 1 153 LEU 4.00 1.00 1 155 ASN 3.80 3.80 1 157 ASP 0.70 0.30 1 158 SER 2.30 -0.60 1 159 LYS 2.70 1.10 1 161 LEU 0.00 0.70 1 162 SER 4.00 1.90 1 163 ASN 0.90 -0.30 1 165 ALA 4.20 3.40 1 166 GLU 2.70 2.20 1 167 VAL 6.70 1.10 1 168 GLU 4.00 1.40 1 169 ALA 4.10 3.00 1 170 LEU 6.30 0.80 1 171 ARG 5.70 0.80 1 172 GLU 0.70 1.70 1 173 LYS 4.10 3.60 1 174 VAL 6.60 2.30 1 175 TYR 5.40 2.10 1 176 ALA 4.40 3.70 1 177 SER 4.40 3.00 1 178 LEU 4.30 -0.60 1 179 GLU 6.30 1.60 1 180 ALA 4.10 2.60 1 181 TYR 4.90 1.80 1 183 LYS 4.20 0.90 1 184 HIS 1.40 2.80 1 185 LYS 1.60 -0.30 1 186 TYR -1.10 -0.20 1 188 GLU 1.70 -1.20 1 189 GLN -3.50 -2.00 1 192 ARG 4.40 0.50 1 193 PHE 3.30 0.50 1 194 ALA 3.70 0.60 1 195 LYS 5.20 3.70 1 196 LEU 5.10 2.80 1 203 LEU 3.60 0.10 1 204 ARG 4.50 2.00 1 222 ASP 1.20 0.50 1 223 THR -1.60 -1.50 1 229 LEU 3.20 0.80 1 230 MET 4.50 1.70 1 231 GLU 3.20 2.70 1 232 MET 1.90 1.80 1 233 LEU 2.10 0.30 1 234 GLU 0.10 -0.60 1 235 ALA 1.00 -0.20 1 237 HIS -0.30 1.20 1 238 GLN 0.30 -0.30 1 239 MET 1.00 -0.60 1 240 THR 0.60 4.60 1 stop_ save_