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 bmr15617_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.79 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 5.28 _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 107 TYR -6.79 -1.44 0 110 MET 4.20 -0.20 0 12 SER -0.10 0.40 1 14 LEU 0.90 0.20 1 15 VAL 0.50 -0.00 1 17 ARG 1.00 0.40 1 19 SER 0.20 0.50 1 23 GLU -3.30 -1.00 1 25 ILE 0.40 0.00 1 26 ILE 0.30 -0.20 1 27 GLU -0.40 -0.10 1 28 GLU -0.50 -0.40 1 29 LYS -0.40 0.20 1 30 ALA -6.35 -1.81 1 31 LEU -3.80 -2.00 1 32 PHE -6.30 -4.40 1 33 VAL -2.30 -2.10 1 34 THR -4.20 -4.40 1 37 ALA -0.80 1.00 1 38 THR 2.00 2.20 1 39 VAL -1.60 -0.70 1 43 LYS 3.70 3.30 1 44 LEU 6.80 2.70 1 45 VAL 6.60 4.30 1 46 SER 3.70 3.30 1 48 VAL 4.50 1.70 1 49 LEU -0.60 -2.10 1 50 SER -0.80 0.50 1 51 ASP 4.20 4.20 1 52 GLU 5.00 3.60 1 53 PHE 5.20 4.90 1 55 GLN 5.00 3.40 1 56 GLU 4.20 2.40 1 57 LEU 4.70 3.20 1 58 ILE 4.30 2.90 1 59 GLN 4.40 2.60 1 60 TYR 2.10 1.20 1 62 PHE 1.00 1.10 1 63 VAL -1.50 -1.40 1 64 ARG -4.20 -0.90 1 65 LEU -3.40 -1.00 1 66 ILE -1.80 -0.80 1 67 ILE -3.10 -1.40 1 71 ARG -0.30 0.80 1 72 ASN 6.40 5.70 1 80 LEU 3.50 2.40 1 81 VAL 6.60 4.30 1 83 GLU 3.60 2.50 1 84 ARG 0.30 -1.40 1 87 GLN -3.80 -1.80 1 88 ARG 2.10 1.10 1 89 GLU -2.10 -0.80 1 90 SER 1.10 0.80 1 93 ILE 0.20 -0.30 1 95 ILE 2.10 1.70 1 96 ASP 3.20 2.10 1 97 GLN 3.90 2.10 1 98 PHE -0.70 -0.90 1 102 ASP 2.00 1.50 1 103 THR 0.40 0.30 1 104 ALA -0.70 0.40 1 105 ARG -4.90 -1.60 1 106 GLN -3.60 -1.20 1 108 VAL -2.30 -1.20 1 109 LEU -5.00 -1.30 1 111 ASN 2.70 1.10 1 113 LYS 1.44 1.64 1 114 LEU -5.50 -1.80 1 115 LYS -1.20 -0.90 1 116 VAL -4.10 -2.10 1 117 ILE -3.10 -1.20 1 123 THR 2.00 0.90 1 124 LYS -0.90 -1.90 1 125 MET 4.50 3.10 1 126 GLN 6.30 4.30 1 127 SER 3.80 3.10 1 128 ILE 6.00 4.30 1 129 ILE 4.80 4.20 1 130 ARG 3.90 4.30 1 131 ASP 1.80 1.90 1 132 TYR -0.66 -0.06 1 133 SER -1.00 0.70 1 134 ASP -1.32 0.98 1 135 LEU -2.80 -0.10 1 136 VAL -3.60 -1.90 1 137 ILE -1.60 -0.80 1 138 SER -6.00 -3.00 1 139 HIS -1.20 1.40 1 140 ALA 0.50 -0.90 1 144 SER 3.30 2.60 1 145 ILE 5.80 4.20 1 146 LEU 4.30 2.60 1 147 ASP 4.10 3.50 1 148 SER 4.70 5.20 1 149 LEU 5.40 2.50 1 150 ARG 4.50 3.00 1 151 LEU -0.30 -1.00 1 152 ASN 2.50 1.00 1 153 LYS -1.40 -2.90 1 156 ILE -3.10 -1.80 1 157 VAL -2.20 -2.00 1 159 VAL 2.20 1.50 1 160 ASN 1.50 -0.50 1 161 ASP 1.40 0.30 1 162 SER 1.50 1.20 1 163 LEU 0.50 -0.40 1 164 MET 2.10 0.40 1 165 ASP -1.10 -0.40 1 166 ASN 0.90 0.70 1 168 GLN 5.50 4.20 1 169 GLN 3.80 2.50 1 170 GLN 4.40 3.20 1 171 ILE 4.70 3.00 1 172 ALA 4.80 3.90 1 173 ASP 4.20 2.90 1 174 LYS 3.90 1.50 1 175 PHE 5.70 5.50 1 176 VAL 4.90 3.90 1 177 GLU 3.50 2.60 1 178 LEU 0.10 0.30 1 180 TYR -3.00 0.10 1 181 VAL -6.50 -4.30 1 183 SER -4.50 -1.80 1 185 ALA -1.20 -0.60 1 187 THR -4.70 -2.60 1 188 GLU 7.40 5.80 1 189 THR 4.80 3.50 1 191 LEU 4.60 2.70 1 192 ILE 6.80 5.40 1 193 ALA 4.70 3.00 1 195 LEU 3.60 2.70 1 196 ARG 5.50 4.20 1 197 ALA 5.20 2.90 1 198 SER 2.90 1.80 1 199 GLN -2.20 -1.60 1 200 THR -0.50 1.10 1 201 GLU -3.00 -1.00 1 202 LYS -1.50 -0.90 1 203 LEU -0.50 -1.80 1 204 LYS 1.30 0.70 1 208 VAL 1.50 0.60 1 209 SER 0.50 1.00 1 213 SER 3.00 1.90 1 214 PHE 3.10 2.60 1 215 GLU 3.20 2.60 1 216 ARG 3.80 2.40 1 217 LEU 2.90 1.80 1 218 LEU 2.90 1.80 1 219 VAL 2.50 1.90 1 220 GLU 1.40 1.20 1 221 THR 1.70 1.30 1 222 ILE 2.60 1.50 1 223 TYR 0.50 -0.10 1 224 SER 0.90 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15617_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.79 _LACS_plot.Line_1_terminator_val_y_1 3.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.50 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 -2.11 _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 107 TYR -6.79 5.35 0 110 MET 4.20 -4.40 0 12 SER -0.10 0.50 1 14 LEU 0.90 -0.70 1 15 VAL 0.50 -0.50 1 17 ARG 1.00 -0.60 1 19 SER 0.20 0.30 1 23 GLU -3.30 2.30 1 25 ILE 0.40 -0.40 1 26 ILE 0.30 -0.50 1 27 GLU -0.40 0.30 1 28 GLU -0.50 0.10 1 29 LYS -0.40 0.60 1 30 ALA -6.35 4.54 1 31 LEU -3.80 1.80 1 32 PHE -6.30 1.90 1 33 VAL -2.30 0.20 1 34 THR -4.20 -0.20 1 37 ALA -0.80 1.80 1 38 THR 2.00 0.20 1 39 VAL -1.60 0.90 1 43 LYS 3.70 -0.40 1 44 LEU 6.80 -4.10 1 45 VAL 6.60 -2.30 1 46 SER 3.70 -0.40 1 48 VAL 4.50 -2.80 1 49 LEU -0.60 -1.50 1 50 SER -0.80 1.30 1 51 ASP 4.20 0.00 1 52 GLU 5.00 -1.40 1 53 PHE 5.20 -0.30 1 55 GLN 5.00 -1.60 1 56 GLU 4.20 -1.80 1 57 LEU 4.70 -1.50 1 58 ILE 4.30 -1.40 1 59 GLN 4.40 -1.80 1 60 TYR 2.10 -0.90 1 62 PHE 1.00 0.10 1 63 VAL -1.50 0.10 1 64 ARG -4.20 3.30 1 65 LEU -3.40 2.40 1 66 ILE -1.80 1.00 1 67 ILE -3.10 1.70 1 71 ARG -0.30 1.10 1 72 ASN 6.40 -0.70 1 80 LEU 3.50 -1.10 1 81 VAL 6.60 -2.30 1 83 GLU 3.60 -1.10 1 84 ARG 0.30 -1.70 1 87 GLN -3.80 2.00 1 88 ARG 2.10 -1.00 1 89 GLU -2.10 1.30 1 90 SER 1.10 -0.30 1 93 ILE 0.20 -0.50 1 95 ILE 2.10 -0.40 1 96 ASP 3.20 -1.10 1 97 GLN 3.90 -1.80 1 98 PHE -0.70 -0.20 1 102 ASP 2.00 -0.50 1 103 THR 0.40 -0.10 1 104 ALA -0.70 1.10 1 105 ARG -4.90 3.30 1 106 GLN -3.60 2.40 1 108 VAL -2.30 1.10 1 109 LEU -5.00 3.70 1 111 ASN 2.70 -1.60 1 113 LYS 1.44 0.20 1 114 LEU -5.50 3.70 1 115 LYS -1.20 0.30 1 116 VAL -4.10 2.00 1 117 ILE -3.10 1.90 1 123 THR 2.00 -1.10 1 124 LYS -0.90 -1.00 1 125 MET 4.50 -1.40 1 126 GLN 6.30 -2.00 1 127 SER 3.80 -0.70 1 128 ILE 6.00 -1.70 1 129 ILE 4.80 -0.60 1 130 ARG 3.90 0.40 1 131 ASP 1.80 0.10 1 132 TYR -0.66 0.60 1 133 SER -1.00 1.70 1 134 ASP -1.32 2.30 1 135 LEU -2.80 2.70 1 136 VAL -3.60 1.70 1 137 ILE -1.60 0.80 1 138 SER -6.00 3.00 1 139 HIS -1.20 2.60 1 140 ALA 0.50 -1.40 1 144 SER 3.30 -0.70 1 145 ILE 5.80 -1.60 1 146 LEU 4.30 -1.70 1 147 ASP 4.10 -0.60 1 148 SER 4.70 0.50 1 149 LEU 5.40 -2.90 1 150 ARG 4.50 -1.50 1 151 LEU -0.30 -0.70 1 152 ASN 2.50 -1.50 1 153 LYS -1.40 -1.50 1 156 ILE -3.10 1.30 1 157 VAL -2.20 0.20 1 159 VAL 2.20 -0.70 1 160 ASN 1.50 -2.00 1 161 ASP 1.40 -1.10 1 162 SER 1.50 -0.30 1 163 LEU 0.50 -0.90 1 164 MET 2.10 -1.70 1 165 ASP -1.10 0.70 1 166 ASN 0.90 -0.20 1 168 GLN 5.50 -1.30 1 169 GLN 3.80 -1.30 1 170 GLN 4.40 -1.20 1 171 ILE 4.70 -1.70 1 172 ALA 4.80 -0.90 1 173 ASP 4.20 -1.30 1 174 LYS 3.90 -2.40 1 175 PHE 5.70 -0.20 1 176 VAL 4.90 -1.00 1 177 GLU 3.50 -0.90 1 178 LEU 0.10 0.20 1 180 TYR -3.00 3.10 1 181 VAL -6.50 2.20 1 183 SER -4.50 2.70 1 185 ALA -1.20 0.60 1 187 THR -4.70 2.10 1 188 GLU 7.40 -1.60 1 189 THR 4.80 -1.30 1 191 LEU 4.60 -1.90 1 192 ILE 6.80 -1.40 1 193 ALA 4.70 -1.70 1 195 LEU 3.60 -0.90 1 196 ARG 5.50 -1.30 1 197 ALA 5.20 -2.30 1 198 SER 2.90 -1.10 1 199 GLN -2.20 0.60 1 200 THR -0.50 1.60 1 201 GLU -3.00 2.00 1 202 LYS -1.50 0.60 1 203 LEU -0.50 -1.30 1 204 LYS 1.30 -0.60 1 208 VAL 1.50 -0.90 1 209 SER 0.50 0.50 1 213 SER 3.00 -1.10 1 214 PHE 3.10 -0.50 1 215 GLU 3.20 -0.60 1 216 ARG 3.80 -1.40 1 217 LEU 2.90 -1.10 1 218 LEU 2.90 -1.10 1 219 VAL 2.50 -0.60 1 220 GLU 1.40 -0.20 1 221 THR 1.70 -0.40 1 222 ILE 2.60 -1.10 1 223 TYR 0.50 -0.60 1 224 SER 0.90 1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15617_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 -0.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.16 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 -0.40 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 LEU -3.40 1.21 0 12 SER -0.10 -0.01 1 15 VAL 0.50 -0.09 1 17 ARG 1.00 -0.08 1 23 GLU -3.30 0.07 1 25 ILE 0.40 0.00 1 26 ILE 0.30 0.00 1 32 PHE -6.30 -0.51 1 38 THR 2.00 0.01 1 44 LEU 6.80 -1.04 1 51 ASP 4.20 -0.40 1 52 GLU 5.00 -0.48 1 58 ILE 4.30 -0.13 1 95 ILE 2.10 -0.22 1 96 ASP 3.20 -0.28 1 97 GLN 3.90 -0.41 1 108 VAL -2.30 -0.50 1 111 ASN 2.70 -0.44 1 113 LYS 1.44 -0.10 1 128 ILE 6.00 -0.23 1 130 ARG 3.90 -0.28 1 133 SER -1.00 -0.31 1 137 ILE -1.60 -0.86 1 140 ALA 0.50 -0.30 1 145 ILE 5.80 -0.58 1 149 LEU 5.40 -0.01 1 163 LEU 0.50 -0.45 1 170 GLN 4.40 -0.25 1 171 ILE 4.70 -0.53 1 177 GLU 3.50 -0.42 1 180 TYR -3.00 -0.46 1 181 VAL -6.50 -0.63 1 193 ALA 4.70 -0.29 1 195 LEU 3.60 -0.71 1 204 LYS 1.30 -0.29 1 208 VAL 1.50 -0.14 1 215 GLU 3.20 -0.38 1 217 LEU 2.90 -0.26 1 218 LEU 2.90 -0.40 1 220 GLU 1.40 -0.20 1 221 THR 1.70 -0.17 1 222 ILE 2.60 -0.27 1 224 SER 0.90 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15617_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.79 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 2.84 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 VAL 4.50 -2.80 0 12 SER -0.10 0.30 1 14 LEU 0.90 -0.50 1 17 ARG 1.00 0.70 1 23 GLU -3.30 -0.20 1 25 ILE 0.40 -0.30 1 26 ILE 0.30 -0.60 1 27 GLU -0.40 -1.00 1 28 GLU -0.50 -0.70 1 29 LYS -0.40 -1.00 1 30 ALA -6.35 -1.30 1 31 LEU -3.80 -4.30 1 32 PHE -6.30 -3.10 1 33 VAL -2.30 -3.00 1 34 THR -4.20 -1.40 1 37 ALA -0.80 0.40 1 38 THR 2.00 -0.30 1 43 LYS 3.70 1.60 1 44 LEU 6.80 -0.80 1 45 VAL 6.60 0.20 1 46 SER 3.70 2.80 1 49 LEU -0.60 -1.00 1 50 SER -0.80 -0.20 1 51 ASP 4.20 2.10 1 52 GLU 5.00 2.50 1 53 PHE 5.20 1.40 1 55 GLN 5.00 2.80 1 56 GLU 4.20 1.70 1 57 LEU 4.70 2.30 1 58 ILE 4.30 4.50 1 59 GLN 4.40 1.50 1 60 TYR 2.10 -0.90 1 62 PHE 1.00 -0.30 1 63 VAL -1.50 -0.70 1 64 ARG -4.20 -3.50 1 65 LEU -3.40 -4.10 1 66 ILE -1.80 -2.00 1 83 GLU 3.60 1.50 1 84 ARG 0.30 -0.40 1 87 GLN -3.80 -0.50 1 88 ARG 2.10 -0.10 1 89 GLU -2.10 -0.70 1 95 ILE 2.10 1.10 1 96 ASP 3.20 1.80 1 97 GLN 3.90 0.20 1 98 PHE -0.70 0.90 1 102 ASP 2.00 0.80 1 103 THR 0.40 0.30 1 104 ALA -0.70 -0.40 1 105 ARG -4.90 -2.30 1 106 GLN -3.60 -1.80 1 107 TYR -6.79 -1.10 1 108 VAL -2.30 -1.20 1 109 LEU -5.00 -1.20 1 110 MET 4.20 1.00 1 111 ASN 2.70 0.00 1 113 LYS 1.44 -1.20 1 114 LEU -5.50 -3.20 1 115 LYS -1.20 -1.40 1 116 VAL -4.10 -1.90 1 117 ILE -3.10 -2.20 1 123 THR 2.00 0.20 1 124 LYS -0.90 -0.50 1 125 MET 4.50 1.80 1 126 GLN 6.30 1.80 1 127 SER 3.80 1.50 1 128 ILE 6.00 3.10 1 129 ILE 4.80 0.90 1 130 ARG 3.90 2.00 1 131 ASP 1.80 1.30 1 132 TYR -0.66 -1.30 1 133 SER -1.00 -1.90 1 134 ASP -1.32 -1.10 1 135 LEU -2.80 -4.80 1 136 VAL -3.60 -1.40 1 137 ILE -1.60 -2.00 1 138 SER -6.00 -0.20 1 139 HIS -1.20 0.60 1 140 ALA 0.50 -3.70 1 144 SER 3.30 2.90 1 145 ILE 5.80 0.90 1 146 LEU 4.30 1.10 1 147 ASP 4.10 2.60 1 148 SER 4.70 1.90 1 149 LEU 5.40 3.70 1 150 ARG 4.50 1.20 1 151 LEU -0.30 -1.90 1 152 ASN 2.50 -0.80 1 156 ILE -3.10 -1.60 1 157 VAL -2.20 -1.90 1 159 VAL 2.20 -1.40 1 160 ASN 1.50 -0.10 1 161 ASP 1.40 0.60 1 162 SER 1.50 -0.20 1 163 LEU 0.50 -0.50 1 164 MET 2.10 -0.70 1 165 ASP -1.10 -0.50 1 166 ASN 0.90 1.30 1 168 GLN 5.50 1.90 1 169 GLN 3.80 1.20 1 170 GLN 4.40 3.30 1 171 ILE 4.70 1.10 1 172 ALA 4.80 1.00 1 173 ASP 4.20 3.00 1 174 LYS 3.90 1.80 1 175 PHE 5.70 2.60 1 176 VAL 4.90 4.20 1 177 GLU 3.50 2.40 1 178 LEU 0.10 -0.90 1 180 TYR -3.00 -0.30 1 181 VAL -6.50 -2.10 1 183 SER -4.50 -1.20 1 187 THR -4.70 -0.30 1 188 GLU 7.40 1.40 1 189 THR 4.80 2.80 1 191 LEU 4.60 2.20 1 192 ILE 6.80 1.00 1 193 ALA 4.70 3.80 1 195 LEU 3.60 2.30 1 196 ARG 5.50 3.50 1 197 ALA 5.20 1.50 1 198 SER 2.90 0.90 1 199 GLN -2.20 0.40 1 200 THR -0.50 -0.80 1 201 GLU -3.00 -1.70 1 202 LYS -1.50 -0.30 1 203 LEU -0.50 -0.20 1 208 VAL 1.50 0.20 1 209 SER 0.50 0.90 1 213 SER 3.00 0.80 1 214 PHE 3.10 0.80 1 215 GLU 3.20 1.30 1 216 ARG 3.80 1.40 1 217 LEU 2.90 1.30 1 218 LEU 2.90 0.70 1 219 VAL 2.50 0.80 1 220 GLU 1.40 1.00 1 221 THR 1.70 0.20 1 222 ILE 2.60 -0.50 1 223 TYR 0.50 -0.80 1 224 SER 0.90 4.00 1 stop_ save_