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 bmr18799_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.05 _LACS_plot.Line_1_terminator_val_y_1 -2.05 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 8.83 _LACS_plot.Line_2_terminator_val_y_2 5.87 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 HIS 2.11 5.08 0 107 TYR -2.68 -5.18 0 10 SER 0.20 -0.07 1 11 GLN -0.50 -0.55 1 12 ASP 0.32 -0.19 1 13 LEU 4.94 2.87 1 14 SER 6.39 4.00 1 15 GLU 2.57 1.27 1 16 ALA 4.13 2.11 1 17 LEU 5.34 2.68 1 18 LYS 4.76 3.04 1 19 GLU 3.15 1.85 1 20 ALA 1.96 1.62 1 21 THR 0.98 0.08 1 22 LYS 4.81 3.23 1 23 GLU 3.14 2.04 1 24 VAL 2.81 0.77 1 25 HIS 2.91 3.38 1 26 ILE 3.40 1.97 1 27 ARG 3.78 2.15 1 28 ALA 3.20 2.03 1 29 GLU 2.78 1.54 1 30 ASN -0.13 -0.28 1 31 SER 0.14 -0.61 1 32 GLU 3.55 3.20 1 33 PHE 3.57 3.58 1 34 MET 7.23 2.57 1 35 ARG 4.68 2.89 1 36 ASN 4.70 2.18 1 37 PHE 4.98 3.46 1 38 GLN 4.07 2.31 1 39 LYS -0.18 -0.91 1 41 GLN 0.03 -2.03 1 42 VAL -4.03 -3.17 1 43 SER -4.05 -2.08 1 44 ARG 4.93 4.14 1 45 GLU 4.69 2.87 1 47 PHE 4.37 4.48 1 48 LYS 6.06 3.46 1 49 LEU 3.89 2.82 1 50 VAL 6.04 3.60 1 51 MET 5.54 0.93 1 52 ALA 3.41 1.85 1 53 SER 6.81 4.74 1 54 LEU 5.81 2.56 1 55 TYR 7.62 4.56 1 56 HIS 2.87 4.61 1 57 ILE 5.28 4.28 1 58 TYR 8.09 5.86 1 59 THR 8.83 6.27 1 60 ALA 2.11 2.19 1 61 LEU 3.68 2.68 1 62 GLU 6.17 2.91 1 63 GLU 3.55 2.80 1 64 GLU 2.54 0.64 1 67 ARG 3.25 2.50 1 68 ASN -0.64 1.08 1 86 ARG 7.75 5.65 1 87 ALA 4.83 2.43 1 88 ALA 4.01 1.69 1 89 LEU 3.27 2.76 1 90 GLU 4.33 2.93 1 91 GLN 5.01 2.82 1 92 ASP 5.77 3.71 1 93 MET 0.51 1.57 1 94 ALA 3.50 0.92 1 95 PHE 5.02 3.56 1 96 TRP 0.43 2.13 1 97 TYR 0.05 0.49 1 100 HIS 0.95 -1.19 1 101 TRP 2.54 1.44 1 102 GLN 7.53 4.38 1 103 GLU 0.17 -0.35 1 104 ALA -2.58 -0.22 1 105 ILE 2.82 1.49 1 108 THR 6.07 2.04 1 110 ALA 4.89 2.41 1 111 THR 8.80 5.65 1 112 GLN 5.39 2.76 1 113 HIS 2.71 2.72 1 114 TYR 1.99 0.99 1 115 VAL 6.66 5.10 1 116 LYS 4.97 3.25 1 117 ARG 3.72 0.85 1 118 LEU 4.24 2.50 1 119 HIS 4.48 2.85 1 120 GLU 3.37 2.66 1 121 VAL 5.65 3.13 1 124 THR -0.02 0.87 1 127 GLU 5.45 1.97 1 131 ALA 2.94 2.24 1 133 ALA 4.23 2.50 1 134 TYR 4.21 3.73 1 135 THR 5.25 4.11 1 136 ARG 3.56 2.86 1 145 GLN 4.19 2.63 1 146 VAL 4.32 2.76 1 147 LEU 4.27 2.45 1 148 LYS 5.08 3.67 1 149 LYS 3.97 2.44 1 150 ILE 4.04 2.77 1 151 ALA 3.99 2.27 1 152 GLN 4.91 3.56 1 153 LYS 2.87 1.65 1 154 ALA 2.87 2.16 1 155 MET -0.97 -0.48 1 156 ALA 3.41 -0.12 1 157 LEU -0.72 -2.49 1 159 SER 2.91 1.79 1 160 SER 0.77 -0.26 1 162 GLU 2.93 1.68 1 164 LEU -2.10 -2.14 1 165 ALA 6.08 3.52 1 166 PHE 2.76 2.79 1 167 PHE 0.03 -0.22 1 168 THR 2.92 2.54 1 171 SER 0.63 0.06 1 172 ILE 0.30 -0.66 1 173 ASP 1.31 1.07 1 174 ASN -0.78 -0.92 1 176 THR 6.53 4.76 1 177 LYS 3.46 1.93 1 178 PHE 4.58 4.09 1 179 LYS 5.79 4.03 1 180 GLN 5.03 2.84 1 181 LEU 3.88 2.10 1 183 ARG 5.08 3.77 1 184 ALA 4.63 2.27 1 185 ARG 4.45 2.73 1 186 MET 4.27 3.26 1 187 ASN 2.31 0.74 1 188 THR 0.23 0.23 1 189 LEU 1.29 -0.15 1 190 GLU 0.16 -0.82 1 191 MET -3.99 -1.15 1 192 THR 1.78 -0.10 1 194 GLU 4.71 2.98 1 195 VAL 6.42 4.34 1 196 LYS 5.71 4.17 1 197 HIS 4.27 4.15 1 198 ARG 5.14 3.51 1 199 VAL 7.24 4.76 1 200 THR 6.67 4.38 1 201 GLU 3.43 2.08 1 202 GLU 3.31 0.46 1 203 ALA 4.37 2.24 1 204 LYS 6.58 4.34 1 205 THR 6.39 4.68 1 206 ALA 4.11 2.53 1 207 PHE 4.84 4.35 1 208 LEU 4.93 2.91 1 209 LEU 4.85 2.24 1 210 ASN 3.29 4.06 1 211 ILE 5.71 3.96 1 212 GLU 3.83 2.53 1 213 LEU 3.97 2.79 1 214 PHE 6.11 4.91 1 215 GLU 3.97 2.79 1 216 GLU 3.26 2.59 1 217 LEU 5.16 2.62 1 218 GLN 4.41 2.63 1 219 ALA 3.61 1.76 1 220 LEU 2.93 1.63 1 221 LEU 1.80 0.62 1 222 THR 1.47 1.10 1 223 GLU 0.68 0.06 1 224 GLU 0.24 -0.09 1 225 HIS 0.40 0.44 1 226 LYS 0.62 -0.19 1 227 ASP 0.43 -0.01 1 228 GLN -0.01 -0.57 1 229 SER 0.32 0.06 1 231 SER -0.12 -0.17 1 232 GLN 0.95 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18799_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.05 _LACS_plot.Line_1_terminator_val_y_1 2.00 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 8.83 _LACS_plot.Line_2_terminator_val_y_2 -2.96 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 HIS 2.11 2.97 0 107 TYR -2.68 -2.50 0 10 SER 0.20 -0.27 1 11 GLN -0.50 -0.05 1 12 ASP 0.32 -0.51 1 13 LEU 4.94 -2.07 1 14 SER 6.39 -2.39 1 15 GLU 2.57 -1.30 1 16 ALA 4.13 -2.02 1 17 LEU 5.34 -2.66 1 18 LYS 4.76 -1.72 1 19 GLU 3.15 -1.30 1 20 ALA 1.96 -0.34 1 21 THR 0.98 -0.90 1 22 LYS 4.81 -1.58 1 23 GLU 3.14 -1.10 1 24 VAL 2.81 -2.04 1 25 HIS 2.91 0.47 1 26 ILE 3.40 -1.43 1 27 ARG 3.78 -1.63 1 28 ALA 3.20 -1.17 1 29 GLU 2.78 -1.24 1 30 ASN -0.13 -0.15 1 31 SER 0.14 -0.75 1 32 GLU 3.55 -0.35 1 33 PHE 3.57 0.01 1 34 MET 7.23 -4.66 1 35 ARG 4.68 -1.79 1 36 ASN 4.70 -2.52 1 37 PHE 4.98 -1.52 1 38 GLN 4.07 -1.76 1 39 LYS -0.18 -0.73 1 41 GLN 0.03 -2.06 1 42 VAL -4.03 0.86 1 43 SER -4.05 1.97 1 44 ARG 4.93 -0.79 1 45 GLU 4.69 -1.82 1 47 PHE 4.37 0.11 1 48 LYS 6.06 -2.60 1 49 LEU 3.89 -1.07 1 50 VAL 6.04 -2.44 1 51 MET 5.54 -4.61 1 52 ALA 3.41 -1.56 1 53 SER 6.81 -2.07 1 54 LEU 5.81 -3.25 1 55 TYR 7.62 -3.06 1 56 HIS 2.87 1.74 1 57 ILE 5.28 -1.00 1 58 TYR 8.09 -2.23 1 59 THR 8.83 -2.56 1 60 ALA 2.11 0.08 1 61 LEU 3.68 -1.00 1 62 GLU 6.17 -3.26 1 63 GLU 3.55 -0.75 1 64 GLU 2.54 -1.90 1 67 ARG 3.25 -0.75 1 68 ASN -0.64 1.72 1 86 ARG 7.75 -2.10 1 87 ALA 4.83 -2.40 1 88 ALA 4.01 -2.32 1 89 LEU 3.27 -0.51 1 90 GLU 4.33 -1.40 1 91 GLN 5.01 -2.19 1 92 ASP 5.77 -2.06 1 93 MET 0.51 1.06 1 94 ALA 3.50 -2.58 1 95 PHE 5.02 -1.46 1 96 TRP 0.43 1.70 1 97 TYR 0.05 0.44 1 100 HIS 0.95 -2.14 1 101 TRP 2.54 -1.10 1 102 GLN 7.53 -3.15 1 103 GLU 0.17 -0.52 1 104 ALA -2.58 2.36 1 105 ILE 2.82 -1.33 1 108 THR 6.07 -4.03 1 110 ALA 4.89 -2.48 1 111 THR 8.80 -3.15 1 112 GLN 5.39 -2.63 1 113 HIS 2.71 0.01 1 114 TYR 1.99 -1.00 1 115 VAL 6.66 -1.56 1 116 LYS 4.97 -1.72 1 117 ARG 3.72 -2.87 1 118 LEU 4.24 -1.74 1 119 HIS 4.48 -1.63 1 120 GLU 3.37 -0.71 1 121 VAL 5.65 -2.52 1 124 THR -0.02 0.89 1 127 GLU 5.45 -3.48 1 131 ALA 2.94 -0.70 1 133 ALA 4.23 -1.73 1 134 TYR 4.21 -0.48 1 135 THR 5.25 -1.14 1 136 ARG 3.56 -0.70 1 145 GLN 4.19 -1.56 1 146 VAL 4.32 -1.56 1 147 LEU 4.27 -1.82 1 148 LYS 5.08 -1.41 1 149 LYS 3.97 -1.53 1 150 ILE 4.04 -1.27 1 151 ALA 3.99 -1.72 1 152 GLN 4.91 -1.35 1 153 LYS 2.87 -1.22 1 154 ALA 2.87 -0.71 1 155 MET -0.97 0.49 1 156 ALA 3.41 -3.53 1 157 LEU -0.72 -1.77 1 159 SER 2.91 -1.12 1 160 SER 0.77 -1.03 1 162 GLU 2.93 -1.25 1 164 LEU -2.10 -0.04 1 165 ALA 6.08 -2.56 1 166 PHE 2.76 0.03 1 167 PHE 0.03 -0.25 1 168 THR 2.92 -0.38 1 171 SER 0.63 -0.57 1 172 ILE 0.30 -0.96 1 173 ASP 1.31 -0.24 1 174 ASN -0.78 -0.14 1 176 THR 6.53 -1.77 1 177 LYS 3.46 -1.53 1 178 PHE 4.58 -0.49 1 179 LYS 5.79 -1.76 1 180 GLN 5.03 -2.19 1 181 LEU 3.88 -1.78 1 183 ARG 5.08 -1.31 1 184 ALA 4.63 -2.36 1 185 ARG 4.45 -1.72 1 186 MET 4.27 -1.01 1 187 ASN 2.31 -1.57 1 188 THR 0.23 0.00 1 189 LEU 1.29 -1.44 1 190 GLU 0.16 -0.98 1 191 MET -3.99 2.84 1 192 THR 1.78 -1.88 1 194 GLU 4.71 -1.73 1 195 VAL 6.42 -2.08 1 196 LYS 5.71 -1.54 1 197 HIS 4.27 -0.12 1 198 ARG 5.14 -1.63 1 199 VAL 7.24 -2.48 1 200 THR 6.67 -2.29 1 201 GLU 3.43 -1.35 1 202 GLU 3.31 -2.85 1 203 ALA 4.37 -2.13 1 204 LYS 6.58 -2.24 1 205 THR 6.39 -1.71 1 206 ALA 4.11 -1.58 1 207 PHE 4.84 -0.49 1 208 LEU 4.93 -2.02 1 209 LEU 4.85 -2.61 1 210 ASN 3.29 0.77 1 211 ILE 5.71 -1.75 1 212 GLU 3.83 -1.30 1 213 LEU 3.97 -1.18 1 214 PHE 6.11 -1.20 1 215 GLU 3.97 -1.18 1 216 GLU 3.26 -0.67 1 217 LEU 5.16 -2.54 1 218 GLN 4.41 -1.78 1 219 ALA 3.61 -1.85 1 220 LEU 2.93 -1.30 1 221 LEU 1.80 -1.18 1 222 THR 1.47 -0.37 1 223 GLU 0.68 -0.62 1 224 GLU 0.24 -0.33 1 225 HIS 0.40 0.04 1 226 LYS 0.62 -0.81 1 227 ASP 0.43 -0.44 1 228 GLN -0.01 -0.56 1 229 SER 0.32 -0.26 1 231 SER -0.12 -0.05 1 232 GLN 0.95 0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18799_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.05 _LACS_plot.Line_1_terminator_val_y_1 -1.50 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.26 _LACS_plot.Line_2_terminator_val_x_2 8.83 _LACS_plot.Line_2_terminator_val_y_2 3.16 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 174 ASN -0.78 4.88 0 10 SER 0.20 -0.27 1 11 GLN -0.50 -0.35 1 12 ASP 0.32 0.64 1 13 LEU 4.94 0.57 1 14 SER 6.39 2.29 1 15 GLU 2.57 1.85 1 16 ALA 4.13 3.61 1 17 LEU 5.34 1.31 1 18 LYS 4.76 2.46 1 19 GLU 3.15 2.54 1 20 ALA 1.96 1.69 1 21 THR 0.98 0.37 1 22 LYS 4.81 1.66 1 23 GLU 3.14 2.33 1 24 VAL 2.81 0.44 1 25 HIS 2.91 2.99 1 27 ARG 3.78 2.47 1 28 ALA 3.20 2.00 1 29 GLU 2.78 0.48 1 30 ASN -0.13 -0.29 1 31 SER 0.14 0.02 1 32 GLU 3.55 1.19 1 35 ARG 4.68 3.21 1 36 ASN 4.70 2.85 1 37 PHE 4.98 2.30 1 38 GLN 4.07 0.93 1 39 LYS -0.18 -0.15 1 41 GLN 0.03 -1.60 1 42 VAL -4.03 -2.54 1 43 SER -4.05 0.06 1 44 ARG 4.93 1.75 1 45 GLU 4.69 3.06 1 47 PHE 4.37 1.53 1 48 LYS 6.06 2.05 1 49 LEU 3.89 1.49 1 50 VAL 6.04 1.33 1 51 MET 5.54 2.29 1 52 ALA 3.41 1.51 1 53 SER 6.81 1.69 1 54 LEU 5.81 1.19 1 55 TYR 7.62 1.90 1 56 HIS 2.87 4.88 1 57 ILE 5.28 0.41 1 58 TYR 8.09 2.99 1 59 THR 8.83 1.57 1 60 ALA 2.11 0.59 1 61 LEU 3.68 0.67 1 62 GLU 6.17 2.92 1 63 GLU 3.55 3.45 1 64 GLU 2.54 3.55 1 67 ARG 3.25 1.49 1 86 ARG 7.75 1.06 1 87 ALA 4.83 3.06 1 88 ALA 4.01 1.56 1 89 LEU 3.27 1.59 1 90 GLU 4.33 3.20 1 91 GLN 5.01 3.63 1 92 ASP 5.77 2.58 1 93 MET 0.51 2.16 1 94 ALA 3.50 3.08 1 95 PHE 5.02 1.72 1 96 TRP 0.43 1.56 1 97 TYR 0.05 0.92 1 100 HIS 0.95 1.93 1 101 TRP 2.54 0.93 1 102 GLN 7.53 1.93 1 103 GLU 0.17 -0.40 1 104 ALA -2.58 0.76 1 105 ILE 2.82 -0.97 1 107 TYR -2.68 -0.59 1 108 THR 6.07 0.24 1 110 ALA 4.89 3.71 1 111 THR 8.80 1.84 1 112 GLN 5.39 3.24 1 113 HIS 2.71 2.48 1 114 TYR 1.99 3.13 1 115 VAL 6.66 0.94 1 116 LYS 4.97 3.31 1 117 ARG 3.72 1.80 1 118 LEU 4.24 1.73 1 119 HIS 4.48 3.82 1 120 GLU 3.37 3.58 1 121 VAL 5.65 2.54 1 124 THR -0.02 -0.94 1 127 GLU 5.45 -0.22 1 131 ALA 2.94 2.12 1 132 HIS 2.11 3.64 1 133 ALA 4.23 0.59 1 134 TYR 4.21 1.10 1 135 THR 5.25 1.49 1 136 ARG 3.56 -0.41 1 145 GLN 4.19 2.50 1 146 VAL 4.32 1.48 1 147 LEU 4.27 0.70 1 148 LYS 5.08 0.87 1 149 LYS 3.97 3.09 1 150 ILE 4.04 2.15 1 151 ALA 3.99 1.28 1 152 GLN 4.91 1.98 1 153 LYS 2.87 2.99 1 154 ALA 2.87 2.09 1 155 MET -0.97 -2.17 1 156 ALA 3.41 -1.17 1 157 LEU -0.72 -2.50 1 159 SER 2.91 0.25 1 160 SER 0.77 1.56 1 162 GLU 2.93 -1.68 1 164 LEU -2.10 1.46 1 165 ALA 6.08 4.39 1 166 PHE 2.76 -0.46 1 167 PHE 0.03 -1.62 1 168 THR 2.92 -0.87 1 171 SER 0.63 -0.90 1 172 ILE 0.30 -1.80 1 173 ASP 1.31 0.39 1 176 THR 6.53 1.90 1 177 LYS 3.46 2.03 1 178 PHE 4.58 1.71 1 179 LYS 5.79 1.51 1 180 GLN 5.03 3.36 1 181 LEU 3.88 1.56 1 183 ARG 5.08 1.45 1 184 ALA 4.63 3.48 1 185 ARG 4.45 3.93 1 186 MET 4.27 0.98 1 187 ASN 2.31 0.99 1 188 THR 0.23 0.45 1 189 LEU 1.29 -0.54 1 190 GLU 0.16 -1.11 1 191 MET -3.99 -0.74 1 192 THR 1.78 0.44 1 194 GLU 4.71 2.60 1 195 VAL 6.42 1.29 1 196 LYS 5.71 2.21 1 197 HIS 4.27 3.33 1 198 ARG 5.14 3.52 1 199 VAL 7.24 1.43 1 200 THR 6.67 2.27 1 201 GLU 3.43 2.99 1 202 GLU 3.31 1.18 1 203 ALA 4.37 1.38 1 204 LYS 6.58 1.68 1 205 THR 6.39 1.04 1 206 ALA 4.11 1.45 1 207 PHE 4.84 3.21 1 208 LEU 4.93 1.89 1 209 LEU 4.85 2.50 1 210 ASN 3.29 1.25 1 211 ILE 5.71 1.79 1 212 GLU 3.83 3.20 1 213 LEU 3.97 0.04 1 214 PHE 6.11 3.50 1 215 GLU 3.97 2.96 1 216 GLU 3.26 2.34 1 217 LEU 5.16 0.77 1 218 GLN 4.41 2.53 1 219 ALA 3.61 2.62 1 220 LEU 2.93 1.97 1 221 LEU 1.80 0.72 1 222 THR 1.47 0.42 1 223 GLU 0.68 0.13 1 224 GLU 0.24 -0.15 1 225 HIS 0.40 0.90 1 226 LYS 0.62 -0.30 1 227 ASP 0.43 -0.16 1 228 GLN -0.01 -0.06 1 229 SER 0.32 -0.37 1 231 SER -0.12 -0.88 1 232 GLN 0.95 4.50 1 stop_ save_