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 bmr5409_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.22 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.00 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 4.80 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 HIS 6.80 7.11 0 16 SER 0.06 -0.40 1 18 VAL -0.38 -0.83 1 20 SER -2.54 -2.39 1 21 ARG 0.11 0.06 1 22 VAL 0.58 -0.78 1 23 ILE -3.14 -2.28 1 24 HIS -8.00 -2.47 1 25 ILE -1.77 -1.75 1 26 ARG -5.33 -2.24 1 27 LYS 4.26 -0.06 1 28 LEU 0.02 -0.41 1 30 ILE 2.37 1.32 1 31 ASP 0.85 -1.36 1 32 VAL 0.81 -0.78 1 33 THR -4.11 -2.37 1 34 GLU 4.80 3.60 1 36 GLU 1.35 1.76 1 37 VAL 6.26 3.90 1 38 ILE 5.13 4.08 1 39 SER 5.35 3.89 1 40 LEU 1.25 0.96 1 42 LEU 6.38 4.19 1 44 PHE -0.85 -0.41 1 46 LYS -2.33 -1.90 1 47 VAL 0.36 -0.93 1 48 THR 2.25 0.16 1 49 ASN -3.24 -0.41 1 50 LEU -3.65 -1.26 1 51 LEU -3.89 -1.57 1 52 MET -1.20 -1.64 1 53 LEU -0.21 -2.18 1 54 LYS 4.03 2.62 1 56 LYS -2.18 -2.13 1 57 ASN 3.27 0.66 1 58 GLN -8.22 -2.71 1 59 ALA -6.58 -1.73 1 60 PHE -4.30 -2.02 1 61 ILE -5.29 -2.44 1 62 GLU -6.01 -2.84 1 63 MET -3.11 -4.09 1 64 ASN 4.65 2.81 1 65 THR -6.64 -3.60 1 66 GLU 3.72 2.52 1 67 GLU 4.48 3.13 1 68 ALA 1.93 2.26 1 69 ALA 2.77 2.49 1 70 ASN 3.20 3.27 1 71 THR 6.54 4.45 1 72 MET 3.86 2.96 1 73 VAL 6.33 4.51 1 74 ASN 4.26 2.88 1 75 TYR 4.66 3.83 1 76 TYR 2.89 0.76 1 77 THR 3.79 2.46 1 78 SER 1.05 0.82 1 79 VAL -1.68 -1.97 1 80 THR 1.11 0.47 1 82 VAL -5.55 -3.08 1 83 LEU -5.49 -1.72 1 84 ARG 3.48 -0.02 1 86 GLN -3.45 -2.32 1 88 ILE -2.99 -2.67 1 89 TYR -3.54 -1.84 1 90 ILE -2.84 -1.44 1 91 GLN -5.61 -2.25 1 92 PHE 2.59 2.34 1 93 SER -1.85 -1.70 1 94 ASN 0.98 0.05 1 95 HIS -0.33 0.91 1 96 LYS 0.96 0.24 1 97 GLU -2.18 -1.61 1 98 LEU -0.44 -1.19 1 99 LYS -0.42 -1.06 1 100 THR -0.12 -0.99 1 101 ASP -0.07 -0.59 1 102 SER -0.02 -0.71 1 103 SER 0.31 -0.26 1 105 ASN 0.74 -0.26 1 106 GLN 0.14 -0.33 1 107 ALA -0.37 -0.58 1 108 ARG -0.20 -0.71 1 140 ALA 0.74 0.04 1 142 GLN 0.10 -0.44 1 143 SER -4.26 -2.02 1 145 VAL -0.13 -1.86 1 146 LEU -4.67 -2.69 1 147 ARG -0.81 -0.99 1 148 ILE -3.67 -1.48 1 149 ILE -2.66 -1.03 1 150 VAL -0.04 -1.55 1 151 GLU -3.92 -1.91 1 152 ASN 3.67 0.64 1 153 LEU 2.05 -0.34 1 154 PHE 0.21 -1.23 1 155 TYR -2.80 -1.01 1 157 VAL 0.32 0.07 1 158 THR -4.44 -2.61 1 159 LEU 5.25 4.19 1 160 ASP 3.85 3.12 1 161 VAL 5.53 3.94 1 162 LEU 4.39 2.76 1 164 GLN 5.71 3.78 1 165 ILE 3.87 3.36 1 167 SER 6.39 3.43 1 168 LYS 3.63 1.47 1 169 PHE -0.04 0.29 1 171 THR 1.88 1.26 1 172 VAL 1.96 0.23 1 173 LEU 1.19 1.46 1 174 LYS -7.60 -1.51 1 175 ILE -3.87 -0.29 1 176 ILE -3.45 -0.10 1 177 THR -3.96 -2.35 1 178 PHE -0.43 -1.14 1 179 THR -1.13 -0.86 1 180 LYS -2.32 -0.62 1 181 ASN 3.65 1.56 1 182 ASN 2.82 1.47 1 183 GLN -3.27 -1.36 1 184 PHE 0.37 0.92 1 185 GLN -5.45 -2.50 1 186 ALA -6.42 -3.04 1 187 LEU -4.62 -2.12 1 188 LEU -3.92 -0.95 1 189 GLN -3.32 -1.70 1 190 TYR -2.00 0.76 1 191 ALA 2.23 1.53 1 192 ASP -4.65 -1.69 1 194 VAL 6.33 3.71 1 195 SER 1.82 3.59 1 196 ALA 4.09 2.42 1 197 GLN 5.15 3.43 1 198 HIS 2.48 2.42 1 199 ALA 2.27 2.16 1 200 LYS 5.33 4.14 1 201 LEU 3.12 2.13 1 202 SER 2.57 3.05 1 203 LEU -0.69 -0.34 1 204 ASP 3.13 3.22 1 206 GLN -0.32 -1.23 1 207 ASN -0.85 -0.94 1 208 ILE 3.50 3.07 1 209 TYR -3.87 -2.51 1 210 ASN 3.75 2.70 1 211 ALA 1.32 0.10 1 214 THR 0.31 0.66 1 215 LEU 0.00 0.04 1 216 ARG -0.89 -2.26 1 217 ILE -3.30 -0.76 1 218 ASP -5.36 -2.30 1 219 PHE 1.35 1.08 1 220 SER -1.62 -1.51 1 222 LEU 0.94 -0.12 1 223 THR 0.61 -0.01 1 224 SER -1.77 -1.29 1 225 LEU -3.02 -2.37 1 226 ASN -1.19 -1.20 1 227 VAL -0.52 -0.15 1 228 LYS 0.38 0.65 1 229 TYR -6.54 -3.33 1 230 ASN -2.19 -2.50 1 231 ASN 1.34 -0.53 1 232 ASP 2.82 1.57 1 233 LYS -0.36 -0.14 1 234 SER -4.45 -1.74 1 235 ARG -3.24 -0.89 1 236 ASP -2.23 -2.07 1 237 TYR 5.59 3.67 1 238 THR 0.46 -0.01 1 239 ARG -2.07 -1.62 1 241 ASP 0.43 -0.74 1 242 LEU 3.39 1.02 1 244 SER 0.28 0.61 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5409_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.22 _LACS_plot.Line_1_terminator_val_y_1 4.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.00 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 HIS 6.80 0.31 0 16 SER 0.06 -0.46 1 18 VAL -0.38 -0.45 1 20 SER -2.54 0.15 1 21 ARG 0.11 -0.05 1 22 VAL 0.58 -1.36 1 23 ILE -3.14 0.86 1 24 HIS -8.00 5.53 1 25 ILE -1.77 0.02 1 26 ARG -5.33 3.09 1 27 LYS 4.26 -4.32 1 28 LEU 0.02 -0.43 1 30 ILE 2.37 -1.05 1 31 ASP 0.85 -2.21 1 32 VAL 0.81 -1.59 1 33 THR -4.11 1.74 1 34 GLU 4.80 -1.20 1 36 GLU 1.35 0.41 1 37 VAL 6.26 -2.36 1 38 ILE 5.13 -1.05 1 39 SER 5.35 -1.46 1 40 LEU 1.25 -0.29 1 42 LEU 6.38 -2.19 1 44 PHE -0.85 0.44 1 46 LYS -2.33 0.43 1 47 VAL 0.36 -1.29 1 48 THR 2.25 -2.09 1 49 ASN -3.24 2.83 1 50 LEU -3.65 2.39 1 51 LEU -3.89 2.32 1 52 MET -1.20 -0.44 1 53 LEU -0.21 -1.97 1 54 LYS 4.03 -1.41 1 56 LYS -2.18 0.05 1 57 ASN 3.27 -2.61 1 58 GLN -8.22 5.51 1 59 ALA -6.58 4.85 1 60 PHE -4.30 2.28 1 61 ILE -5.29 2.85 1 62 GLU -6.01 3.17 1 63 MET -3.11 -0.98 1 64 ASN 4.65 -1.84 1 65 THR -6.64 3.04 1 66 GLU 3.72 -1.20 1 67 GLU 4.48 -1.35 1 68 ALA 1.93 0.33 1 69 ALA 2.77 -0.28 1 70 ASN 3.20 0.07 1 71 THR 6.54 -2.09 1 72 MET 3.86 -0.90 1 73 VAL 6.33 -1.82 1 74 ASN 4.26 -1.38 1 75 TYR 4.66 -0.83 1 76 TYR 2.89 -2.13 1 77 THR 3.79 -1.33 1 78 SER 1.05 -0.23 1 79 VAL -1.68 -0.29 1 80 THR 1.11 -0.64 1 82 VAL -5.55 2.47 1 83 LEU -5.49 3.77 1 84 ARG 3.48 -3.50 1 86 GLN -3.45 1.13 1 88 ILE -2.99 0.32 1 89 TYR -3.54 1.70 1 90 ILE -2.84 1.40 1 91 GLN -5.61 3.36 1 92 PHE 2.59 -0.25 1 93 SER -1.85 0.15 1 94 ASN 0.98 -0.93 1 95 HIS -0.33 1.24 1 96 LYS 0.96 -0.72 1 97 GLU -2.18 0.57 1 98 LEU -0.44 -0.75 1 99 LYS -0.42 -0.64 1 100 THR -0.12 -0.87 1 101 ASP -0.07 -0.52 1 102 SER -0.02 -0.69 1 103 SER 0.31 -0.57 1 105 ASN 0.74 -1.00 1 106 GLN 0.14 -0.47 1 107 ALA -0.37 -0.21 1 108 ARG -0.20 -0.51 1 140 ALA 0.74 -0.70 1 142 GLN 0.10 -0.54 1 143 SER -4.26 2.24 1 145 VAL -0.13 -1.73 1 146 LEU -4.67 1.98 1 147 ARG -0.81 -0.18 1 148 ILE -3.67 2.19 1 149 ILE -2.66 1.63 1 150 VAL -0.04 -1.51 1 151 GLU -3.92 2.01 1 152 ASN 3.67 -3.03 1 153 LEU 2.05 -2.39 1 154 PHE 0.21 -1.44 1 155 TYR -2.80 1.79 1 157 VAL 0.32 -0.25 1 158 THR -4.44 1.83 1 159 LEU 5.25 -1.06 1 160 ASP 3.85 -0.73 1 161 VAL 5.53 -1.59 1 162 LEU 4.39 -1.63 1 164 GLN 5.71 -1.93 1 165 ILE 3.87 -0.51 1 167 SER 6.39 -2.96 1 168 LYS 3.63 -2.16 1 169 PHE -0.04 0.33 1 171 THR 1.88 -0.62 1 172 VAL 1.96 -1.73 1 173 LEU 1.19 0.27 1 174 LYS -7.60 6.09 1 175 ILE -3.87 3.58 1 176 ILE -3.45 3.35 1 177 THR -3.96 1.61 1 178 PHE -0.43 -0.71 1 179 THR -1.13 0.27 1 180 LYS -2.32 1.70 1 181 ASN 3.65 -2.09 1 182 ASN 2.82 -1.35 1 183 GLN -3.27 1.91 1 184 PHE 0.37 0.55 1 185 GLN -5.45 2.95 1 186 ALA -6.42 3.38 1 187 LEU -4.62 2.50 1 188 LEU -3.92 2.97 1 189 GLN -3.32 1.62 1 190 TYR -2.00 2.76 1 191 ALA 2.23 -0.70 1 192 ASP -4.65 2.96 1 194 VAL 6.33 -2.62 1 195 SER 1.82 1.77 1 196 ALA 4.09 -1.67 1 197 GLN 5.15 -1.72 1 198 HIS 2.48 -0.06 1 199 ALA 2.27 -0.11 1 200 LYS 5.33 -1.19 1 201 LEU 3.12 -0.99 1 202 SER 2.57 0.48 1 203 LEU -0.69 0.35 1 204 ASP 3.13 0.09 1 206 GLN -0.32 -0.91 1 207 ASN -0.85 -0.09 1 208 ILE 3.50 -0.43 1 209 TYR -3.87 1.36 1 210 ASN 3.75 -1.05 1 211 ALA 1.32 -1.22 1 214 THR 0.31 0.35 1 215 LEU 0.00 0.04 1 216 ARG -0.89 -1.37 1 217 ILE -3.30 2.54 1 218 ASP -5.36 3.06 1 219 PHE 1.35 -0.27 1 220 SER -1.62 0.11 1 222 LEU 0.94 -1.06 1 223 THR 0.61 -0.62 1 224 SER -1.77 0.48 1 225 LEU -3.02 0.65 1 226 ASN -1.19 -0.01 1 227 VAL -0.52 0.37 1 228 LYS 0.38 0.27 1 229 TYR -6.54 3.21 1 230 ASN -2.19 -0.31 1 231 ASN 1.34 -1.87 1 232 ASP 2.82 -1.25 1 233 LYS -0.36 0.22 1 234 SER -4.45 2.71 1 235 ARG -3.24 2.35 1 236 ASP -2.23 0.16 1 237 TYR 5.59 -1.92 1 238 THR 0.46 -0.47 1 239 ARG -2.07 0.45 1 241 ASP 0.43 -1.17 1 242 LEU 3.39 -2.37 1 244 SER 0.28 0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5409_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.22 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.14 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 1.96 _LACS_plot.Y_axis_chem_shift_offset 0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 HIS -8.00 -0.80 0 226 ASN -1.19 2.98 0 163 HIS 6.80 4.55 0 16 SER 0.06 0.11 1 18 VAL -0.38 -0.40 1 20 SER -2.54 -1.52 1 21 ARG 0.11 -1.64 1 22 VAL 0.58 -1.94 1 23 ILE -3.14 -2.67 1 25 ILE -1.77 -1.93 1 26 ARG -5.33 -2.29 1 27 LYS 4.26 -1.50 1 28 LEU 0.02 -0.69 1 30 ILE 2.37 -0.92 1 31 ASP 0.85 -0.82 1 32 VAL 0.81 -2.77 1 33 THR -4.11 0.89 1 34 GLU 4.80 2.16 1 36 GLU 1.35 1.95 1 37 VAL 6.26 1.47 1 38 ILE 5.13 2.57 1 39 SER 5.35 0.70 1 40 LEU 1.25 1.98 1 42 LEU 6.38 -0.33 1 44 PHE -0.85 -0.75 1 46 LYS -2.33 -1.63 1 47 VAL 0.36 0.82 1 48 THR 2.25 0.37 1 49 ASN -3.24 -3.28 1 50 LEU -3.65 -3.74 1 51 LEU -3.89 -2.72 1 52 MET -1.20 -1.11 1 53 LEU -0.21 -0.64 1 56 LYS -2.18 -0.76 1 57 ASN 3.27 -1.29 1 58 GLN -8.22 -1.86 1 59 ALA -6.58 -3.44 1 60 PHE -4.30 -0.72 1 61 ILE -5.29 -3.80 1 62 GLU -6.01 -1.65 1 63 MET -3.11 1.38 1 64 ASN 4.65 -0.19 1 65 THR -6.64 -0.44 1 66 GLU 3.72 2.04 1 67 GLU 4.48 2.30 1 68 ALA 1.93 1.49 1 69 ALA 2.77 0.48 1 70 ASN 3.20 2.37 1 71 THR 6.54 1.08 1 72 MET 3.86 0.15 1 73 VAL 6.33 2.70 1 74 ASN 4.26 3.05 1 75 TYR 4.66 2.06 1 76 TYR 2.89 -0.31 1 77 THR 3.79 0.33 1 78 SER 1.05 -1.11 1 79 VAL -1.68 -2.22 1 80 THR 1.11 -0.25 1 82 VAL -5.55 -1.07 1 83 LEU -5.49 -1.95 1 84 ARG 3.48 0.38 1 86 GLN -3.45 -2.13 1 88 ILE -2.99 -2.78 1 89 TYR -3.54 -1.76 1 90 ILE -2.84 -2.96 1 91 GLN -5.61 -1.35 1 92 PHE 2.59 1.30 1 93 SER -1.85 0.35 1 94 ASN 0.98 -0.04 1 96 LYS 0.96 -0.59 1 97 GLU -2.18 -1.39 1 98 LEU -0.44 -1.54 1 99 LYS -0.42 -0.37 1 100 THR -0.12 -0.55 1 101 ASP -0.07 -0.36 1 102 SER -0.02 -0.46 1 103 SER 0.31 2.10 1 105 ASN 0.74 -0.16 1 106 GLN 0.14 -0.65 1 107 ALA -0.37 -0.48 1 108 ARG -0.20 -1.48 1 140 ALA 0.74 0.65 1 142 GLN 0.10 -0.79 1 143 SER -4.26 0.73 1 145 VAL -0.13 -0.89 1 146 LEU -4.67 -1.99 1 147 ARG -0.81 -1.27 1 148 ILE -3.67 -1.76 1 149 ILE -2.66 -1.31 1 150 VAL -0.04 -0.80 1 151 GLU -3.92 0.58 1 152 ASN 3.67 0.85 1 153 LEU 2.05 -0.99 1 154 PHE 0.21 -1.01 1 155 TYR -2.80 -2.36 1 157 VAL 0.32 -1.93 1 158 THR -4.44 0.80 1 159 LEU 5.25 1.17 1 160 ASP 3.85 2.95 1 161 VAL 5.53 2.10 1 162 LEU 4.39 1.67 1 164 GLN 5.71 2.96 1 165 ILE 3.87 1.92 1 167 SER 6.39 -0.43 1 168 LYS 3.63 0.54 1 169 PHE -0.04 -0.75 1 171 THR 1.88 -0.64 1 172 VAL 1.96 -1.00 1 173 LEU 1.19 -0.30 1 174 LYS -7.60 -1.59 1 176 ILE -3.45 -1.41 1 177 THR -3.96 -1.58 1 178 PHE -0.43 -2.54 1 179 THR -1.13 -0.07 1 181 ASN 3.65 -0.26 1 182 ASN 2.82 -1.08 1 183 GLN -3.27 -1.28 1 184 PHE 0.37 -1.08 1 185 GLN -5.45 -3.19 1 186 ALA -6.42 -1.81 1 187 LEU -4.62 -2.50 1 188 LEU -3.92 -4.14 1 190 TYR -2.00 -0.29 1 194 VAL 6.33 2.42 1 195 SER 1.82 0.39 1 196 ALA 4.09 1.00 1 197 GLN 5.15 2.49 1 198 HIS 2.48 3.53 1 199 ALA 2.27 1.16 1 200 LYS 5.33 1.67 1 201 LEU 3.12 2.58 1 202 SER 2.57 1.41 1 203 LEU -0.69 -0.22 1 204 ASP 3.13 1.99 1 206 GLN -0.32 -0.86 1 207 ASN -0.85 2.27 1 208 ILE 3.50 -0.44 1 209 TYR -3.87 -0.65 1 210 ASN 3.75 0.63 1 211 ALA 1.32 -1.50 1 214 THR 0.31 0.24 1 215 LEU 0.00 -0.68 1 216 ARG -0.89 0.44 1 217 ILE -3.30 -2.74 1 218 ASP -5.36 -1.25 1 219 PHE 1.35 0.96 1 220 SER -1.62 0.85 1 222 LEU 0.94 -0.30 1 223 THR 0.61 -0.40 1 224 SER -1.77 -2.12 1 225 LEU -3.02 -2.06 1 227 VAL -0.52 -1.27 1 228 LYS 0.38 -1.83 1 229 TYR -6.54 -1.71 1 230 ASN -2.19 -0.37 1 231 ASN 1.34 -0.57 1 232 ASP 2.82 0.31 1 233 LYS -0.36 -0.24 1 234 SER -4.45 -3.14 1 235 ARG -3.24 -2.40 1 236 ASP -2.23 1.97 1 237 TYR 5.59 1.04 1 238 THR 0.46 0.02 1 239 ARG -2.07 -1.24 1 241 ASP 0.43 0.24 1 242 LEU 3.39 -0.22 1 244 SER 0.28 1.61 1 stop_ save_