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 bmr27521_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.96 _LACS_plot.Line_1_terminator_val_y_1 -3.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.16 _LACS_plot.Line_2_terminator_val_x_2 8.26 _LACS_plot.Line_2_terminator_val_y_2 5.42 _LACS_plot.Y_axis_chem_shift_offset 0.65 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 ASN -4.92 0.67 0 41 GLN 3.09 1.99 1 42 GLN 3.51 1.56 1 43 GLN 2.42 0.64 1 44 GLU 2.13 1.19 1 46 LYS 1.16 -0.10 1 47 LEU 0.46 -0.97 1 48 LEU 0.80 -0.65 1 49 TYR -2.06 -2.10 1 50 SER 0.24 0.74 1 51 ARG 0.23 -1.31 1 52 LYS 3.70 3.01 1 53 GLU 6.22 2.87 1 55 GLN -0.57 -0.59 1 56 ARG 2.34 1.05 1 58 GLU 4.13 2.27 1 59 ASN -1.03 -1.31 1 60 LYS 5.12 3.75 1 61 ASN 2.25 -0.22 1 62 LYS 0.44 -0.81 1 63 ASN -2.02 -1.51 1 64 ARG 3.82 3.14 1 65 TYR -2.43 -1.69 1 66 LYS 4.02 2.32 1 67 ASN -0.19 -1.02 1 68 ILE 2.50 -0.53 1 69 LEU -5.42 -2.51 1 71 PHE -0.82 -1.69 1 72 ASP 4.22 3.87 1 74 THR -0.74 -2.03 1 75 ARG 2.69 -0.52 1 76 VAL 1.95 -0.27 1 77 VAL 0.87 -0.70 1 78 LEU 0.75 -1.48 1 79 HIS -1.01 -0.45 1 80 ASP 1.71 0.15 1 82 ASP -1.17 -0.58 1 84 ASN 0.95 0.43 1 85 GLU -1.64 -1.01 1 87 VAL 0.65 -0.23 1 88 SER -0.91 -1.33 1 89 ASP -2.12 -1.01 1 90 TYR -0.21 0.69 1 91 ILE -0.60 -1.90 1 92 ASN 3.12 -0.68 1 93 ALA -4.67 -1.36 1 95 ILE 0.43 -0.79 1 96 ILE -1.59 -3.54 1 97 MET -2.62 -1.92 1 99 GLU -1.29 -1.27 1 100 PHE -0.27 0.00 1 101 GLU 0.44 -0.14 1 102 THR 0.43 -0.18 1 103 LYS 1.25 -0.11 1 105 ASN 1.00 0.19 1 106 ASN 0.70 -0.03 1 107 SER 0.49 -0.06 1 108 LYS 0.65 -0.32 1 110 LYS 1.16 0.17 1 111 LYS 0.00 -0.68 1 112 SER -3.52 -1.71 1 113 TYR -5.53 -2.89 1 114 ILE -2.06 -0.65 1 115 ALA -4.54 -3.16 1 116 THR -4.55 -3.66 1 117 GLN -2.79 -3.42 1 120 LEU -3.43 -1.91 1 121 GLN 5.93 3.68 1 122 ASN 3.10 0.44 1 123 THR -0.36 -0.91 1 124 VAL 5.22 3.73 1 125 ASN 6.59 2.99 1 126 ASP 4.34 2.81 1 143 THR -4.64 -3.60 1 144 LYS 1.61 1.33 1 145 GLU 3.83 3.77 1 146 VAL -2.84 -1.91 1 147 GLU -4.55 -1.89 1 150 LYS -2.65 -2.39 1 151 SER 2.00 0.23 1 152 LYS -1.60 -1.91 1 154 VAL 1.58 -0.43 1 156 TYR -2.63 -3.18 1 157 TRP -3.07 -2.15 1 159 ASP 0.26 -0.42 1 160 GLU 3.73 2.30 1 161 TYR 5.20 1.20 1 162 ALA -3.38 -1.86 1 163 LEU -4.72 -1.96 1 164 LYS -4.58 -1.56 1 165 GLU -1.15 -1.94 1 166 TYR -0.74 -2.28 1 168 VAL 1.79 -0.79 1 169 MET -1.42 -3.20 1 170 ARG -1.74 -1.51 1 171 VAL -3.73 -2.43 1 172 ARG -4.70 -2.84 1 173 ASN -0.89 -1.40 1 174 VAL 1.80 0.33 1 175 LYS 0.05 0.47 1 176 GLU -3.89 -2.58 1 177 SER -2.04 -1.67 1 178 ALA -0.89 -0.63 1 179 ALA -2.46 -2.65 1 181 ASP -0.46 0.33 1 182 TYR -5.80 -2.87 1 183 THR -2.17 -0.52 1 184 LEU -3.91 -2.38 1 190 SER -3.38 -1.54 1 191 LYS -1.15 -1.26 1 192 VAL 4.35 2.28 1 194 GLN -1.37 -1.75 1 196 ASN 2.48 0.67 1 197 THR -1.19 -0.24 1 198 GLU -0.58 -0.18 1 199 ARG -0.33 -1.67 1 200 THR 2.23 0.97 1 205 HIS -5.96 -2.83 1 206 PHE 2.18 1.91 1 207 ARG -0.11 0.89 1 208 THR 0.88 -1.70 1 209 TRP 1.47 0.14 1 211 ASP 2.86 1.87 1 212 HIS -2.48 -0.31 1 214 VAL -0.75 -2.90 1 216 SER 2.51 1.32 1 217 ASP -4.39 -1.96 1 221 VAL 6.27 4.29 1 222 LEU 4.31 2.71 1 223 ASP 4.15 3.03 1 224 PHE 3.51 2.79 1 225 LEU 4.27 2.34 1 226 GLU 4.09 2.71 1 227 GLU 4.34 2.04 1 228 VAL 6.16 3.53 1 229 HIS 4.77 4.32 1 230 HIS 4.29 2.97 1 231 LYS 5.54 0.61 1 232 GLN 6.17 2.54 1 233 GLU 2.32 1.03 1 234 SER 1.27 0.89 1 235 ILE 0.37 -0.68 1 236 MET 3.43 1.91 1 237 ASP 2.14 -0.02 1 238 ALA 0.95 0.91 1 255 PHE 6.22 5.05 1 256 ILE 6.64 4.71 1 257 VAL 8.26 5.16 1 284 ARG -3.69 -3.32 1 285 SER 4.24 3.72 1 286 GLN -2.07 0.48 1 287 ARG 1.24 1.47 1 288 SER 1.36 0.43 1 290 MET 0.49 0.54 1 291 VAL -1.52 1.48 1 292 GLN -5.94 -3.73 1 293 THR 3.65 1.48 1 294 GLU 3.82 2.07 1 295 ALA 6.48 3.17 1 296 GLN 2.99 2.22 1 309 GLU 4.92 3.36 1 310 THR 4.29 2.46 1 311 LEU 3.93 2.29 1 312 GLN 3.20 1.52 1 313 ARG 3.28 1.69 1 314 ARG 2.87 1.44 1 315 ILE 1.49 0.64 1 316 GLU 0.90 0.29 1 317 ASN 1.51 0.24 1 318 LEU 0.52 -0.40 1 319 TYR 0.45 -0.40 1 320 PHE 1.05 1.36 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27521_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.96 _LACS_plot.Line_1_terminator_val_y_1 2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.77 _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 8.26 _LACS_plot.Line_2_terminator_val_y_2 -2.84 _LACS_plot.Y_axis_chem_shift_offset 0.65 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 ASN -4.92 5.59 0 41 GLN 3.09 -1.10 1 42 GLN 3.51 -1.95 1 43 GLN 2.42 -1.78 1 44 GLU 2.13 -0.94 1 46 LYS 1.16 -1.26 1 47 LEU 0.46 -1.43 1 48 LEU 0.80 -1.45 1 49 TYR -2.06 -0.04 1 50 SER 0.24 0.50 1 51 ARG 0.23 -1.54 1 52 LYS 3.70 -0.69 1 53 GLU 6.22 -3.35 1 55 GLN -0.57 -0.02 1 56 ARG 2.34 -1.29 1 58 GLU 4.13 -1.86 1 59 ASN -1.03 -0.28 1 60 LYS 5.12 -1.37 1 61 ASN 2.25 -2.47 1 62 LYS 0.44 -1.25 1 63 ASN -2.02 0.51 1 64 ARG 3.82 -0.68 1 65 TYR -2.43 0.74 1 66 LYS 4.02 -1.70 1 67 ASN -0.19 -0.83 1 68 ILE 2.50 -3.03 1 69 LEU -5.42 2.91 1 71 PHE -0.82 -0.87 1 72 ASP 4.22 -0.35 1 74 THR -0.74 -1.29 1 75 ARG 2.69 -3.21 1 76 VAL 1.95 -2.22 1 77 VAL 0.87 -1.57 1 78 LEU 0.75 -2.23 1 79 HIS -1.01 0.56 1 80 ASP 1.71 -1.56 1 82 ASP -1.17 0.59 1 84 ASN 0.95 -0.52 1 85 GLU -1.64 0.63 1 87 VAL 0.65 -0.88 1 88 SER -0.91 -0.42 1 89 ASP -2.12 1.11 1 90 TYR -0.21 0.90 1 91 ILE -0.60 -1.30 1 92 ASN 3.12 -3.80 1 93 ALA -4.67 3.31 1 95 ILE 0.43 -1.22 1 96 ILE -1.59 -1.95 1 97 MET -2.62 0.70 1 99 GLU -1.29 0.02 1 100 PHE -0.27 0.27 1 101 GLU 0.44 -0.58 1 102 THR 0.43 -0.61 1 103 LYS 1.25 -1.36 1 105 ASN 1.00 -0.81 1 106 ASN 0.70 -0.73 1 107 SER 0.49 -0.55 1 108 LYS 0.65 -0.97 1 110 LYS 1.16 -0.99 1 111 LYS 0.00 -0.68 1 112 SER -3.52 1.81 1 113 TYR -5.53 2.64 1 114 ILE -2.06 1.41 1 115 ALA -4.54 1.38 1 116 THR -4.55 0.89 1 117 GLN -2.79 -0.63 1 120 LEU -3.43 1.52 1 121 GLN 5.93 -2.25 1 122 ASN 3.10 -2.66 1 123 THR -0.36 -0.55 1 124 VAL 5.22 -1.49 1 125 ASN 6.59 -3.60 1 126 ASP 4.34 -1.53 1 143 THR -4.64 1.04 1 144 LYS 1.61 -0.28 1 145 GLU 3.83 -0.06 1 146 VAL -2.84 0.93 1 147 GLU -4.55 2.66 1 150 LYS -2.65 0.26 1 151 SER 2.00 -1.77 1 152 LYS -1.60 -0.31 1 154 VAL 1.58 -2.01 1 156 TYR -2.63 -0.55 1 157 TRP -3.07 0.92 1 159 ASP 0.26 -0.68 1 160 GLU 3.73 -1.43 1 161 TYR 5.20 -4.00 1 162 ALA -3.38 1.52 1 163 LEU -4.72 2.76 1 164 LYS -4.58 3.02 1 165 GLU -1.15 -0.79 1 166 TYR -0.74 -1.54 1 168 VAL 1.79 -2.58 1 169 MET -1.42 -1.78 1 170 ARG -1.74 0.23 1 171 VAL -3.73 1.30 1 172 ARG -4.70 1.86 1 173 ASN -0.89 -0.51 1 174 VAL 1.80 -1.47 1 175 LYS 0.05 0.42 1 176 GLU -3.89 1.31 1 177 SER -2.04 0.37 1 178 ALA -0.89 0.26 1 179 ALA -2.46 -0.19 1 181 ASP -0.46 0.79 1 182 TYR -5.80 2.93 1 183 THR -2.17 1.65 1 184 LEU -3.91 1.53 1 190 SER -3.38 1.84 1 191 LYS -1.15 -0.11 1 192 VAL 4.35 -2.07 1 194 GLN -1.37 -0.38 1 196 ASN 2.48 -1.81 1 197 THR -1.19 0.95 1 198 GLU -0.58 0.40 1 199 ARG -0.33 -1.34 1 200 THR 2.23 -1.26 1 205 HIS -5.96 3.13 1 206 PHE 2.18 -0.27 1 207 ARG -0.11 1.00 1 208 THR 0.88 -2.58 1 209 TRP 1.47 -1.33 1 211 ASP 2.86 -0.99 1 212 HIS -2.48 2.17 1 214 VAL -0.75 -2.15 1 216 SER 2.51 -1.19 1 217 ASP -4.39 2.43 1 221 VAL 6.27 -1.98 1 222 LEU 4.31 -1.60 1 223 ASP 4.15 -1.12 1 224 PHE 3.51 -0.72 1 225 LEU 4.27 -1.93 1 226 GLU 4.09 -1.38 1 227 GLU 4.34 -2.30 1 228 VAL 6.16 -2.63 1 229 HIS 4.77 -0.45 1 230 HIS 4.29 -1.32 1 231 LYS 5.54 -4.93 1 232 GLN 6.17 -3.63 1 233 GLU 2.32 -1.29 1 234 SER 1.27 -0.38 1 235 ILE 0.37 -1.05 1 236 MET 3.43 -1.52 1 237 ASP 2.14 -2.16 1 238 ALA 0.95 -0.04 1 255 PHE 6.22 -1.17 1 256 ILE 6.64 -1.93 1 257 VAL 8.26 -3.10 1 284 ARG -3.69 0.37 1 285 SER 4.24 -0.52 1 286 GLN -2.07 2.55 1 287 ARG 1.24 0.23 1 288 SER 1.36 -0.93 1 290 MET 0.49 0.05 1 291 VAL -1.52 3.00 1 292 GLN -5.94 2.21 1 293 THR 3.65 -2.17 1 294 GLU 3.82 -1.75 1 295 ALA 6.48 -3.31 1 296 GLN 2.99 -0.77 1 309 GLU 4.92 -1.56 1 310 THR 4.29 -1.83 1 311 LEU 3.93 -1.64 1 312 GLN 3.20 -1.68 1 313 ARG 3.28 -1.59 1 314 ARG 2.87 -1.43 1 315 ILE 1.49 -0.85 1 316 GLU 0.90 -0.61 1 317 ASN 1.51 -1.27 1 318 LEU 0.52 -0.92 1 319 TYR 0.45 -0.85 1 320 PHE 1.05 0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27521_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.96 _LACS_plot.Line_1_terminator_val_y_1 -1.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.69 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 2.12 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 TYR -2.63 -6.05 0 41 GLN 3.09 3.50 1 42 GLN 3.51 2.24 1 43 GLN 2.42 1.72 1 44 GLU 2.13 1.02 1 46 LYS 1.16 -0.11 1 47 LEU 0.46 -0.16 1 48 LEU 0.80 -0.94 1 49 TYR -2.06 -0.09 1 50 SER 0.24 0.81 1 51 ARG 0.23 -0.54 1 52 LYS 3.70 5.35 1 53 GLU 6.22 4.52 1 55 GLN -0.57 0.51 1 56 ARG 2.34 3.06 1 58 GLU 4.13 0.61 1 59 ASN -1.03 1.63 1 60 LYS 5.12 2.41 1 61 ASN 2.25 0.59 1 62 LYS 0.44 -0.49 1 63 ASN -2.02 -1.42 1 64 ARG 3.82 -1.03 1 65 TYR -2.43 1.09 1 66 LYS 4.02 0.05 1 67 ASN -0.19 0.20 1 68 ILE 2.50 -2.65 1 71 PHE -0.82 2.07 1 72 ASP 4.22 -0.71 1 74 THR -0.74 0.03 1 75 ARG 2.69 -0.82 1 76 VAL 1.95 -1.63 1 77 VAL 0.87 0.09 1 78 LEU 0.75 -0.46 1 79 HIS -1.01 1.06 1 80 ASP 1.71 0.13 1 84 ASN 0.95 0.19 1 87 VAL 0.65 -0.88 1 88 SER -0.91 0.75 1 89 ASP -2.12 1.57 1 90 TYR -0.21 2.94 1 91 ILE -0.60 -3.50 1 92 ASN 3.12 -1.80 1 93 ALA -4.67 -2.23 1 94 ASN -4.92 -1.81 1 95 ILE 0.43 -1.38 1 96 ILE -1.59 -1.07 1 99 GLU -1.29 -1.05 1 100 PHE -0.27 -0.01 1 101 GLU 0.44 0.07 1 102 THR 0.43 0.20 1 103 LYS 1.25 0.16 1 105 ASN 1.00 0.01 1 106 ASN 0.70 0.17 1 107 SER 0.49 -0.38 1 110 LYS 1.16 0.28 1 111 LYS 0.00 -2.01 1 112 SER -3.52 -2.62 1 113 TYR -5.53 0.32 1 114 ILE -2.06 -1.80 1 115 ALA -4.54 -1.22 1 116 THR -4.55 -4.49 1 117 GLN -2.79 -0.13 1 120 LEU -3.43 1.71 1 121 GLN 5.93 1.37 1 122 ASN 3.10 0.56 1 123 THR -0.36 -0.22 1 124 VAL 5.22 1.21 1 125 ASN 6.59 4.51 1 143 THR -4.64 -0.13 1 144 LYS 1.61 1.79 1 145 GLU 3.83 0.39 1 146 VAL -2.84 -0.75 1 150 LYS -2.65 -0.91 1 151 SER 2.00 0.71 1 152 LYS -1.60 -0.05 1 154 VAL 1.58 -1.06 1 159 ASP 0.26 -1.18 1 160 GLU 3.73 0.41 1 161 TYR 5.20 -0.67 1 162 ALA -3.38 -2.75 1 163 LEU -4.72 -1.15 1 164 LYS -4.58 -3.09 1 165 GLU -1.15 -1.34 1 166 TYR -0.74 1.24 1 168 VAL 1.79 -1.87 1 169 MET -1.42 -1.27 1 170 ARG -1.74 -1.70 1 171 VAL -3.73 -1.95 1 172 ARG -4.70 -0.67 1 173 ASN -0.89 1.29 1 174 VAL 1.80 -0.31 1 175 LYS 0.05 -2.23 1 176 GLU -3.89 -0.09 1 177 SER -2.04 -1.65 1 178 ALA -0.89 -1.51 1 179 ALA -2.46 -0.60 1 181 ASP -0.46 -1.59 1 182 TYR -5.80 -3.24 1 183 THR -2.17 -2.97 1 190 SER -3.38 -3.34 1 191 LYS -1.15 1.02 1 192 VAL 4.35 0.82 1 196 ASN 2.48 1.08 1 197 THR -1.19 0.49 1 198 GLU -0.58 -0.25 1 199 ARG -0.33 -1.78 1 205 HIS -5.96 0.60 1 206 PHE 2.18 0.19 1 207 ARG -0.11 1.17 1 208 THR 0.88 0.80 1 211 ASP 2.86 0.07 1 212 HIS -2.48 0.94 1 216 SER 2.51 -0.64 1 221 VAL 6.27 1.32 1 222 LEU 4.31 1.94 1 223 ASP 4.15 2.90 1 224 PHE 3.51 0.36 1 225 LEU 4.27 2.84 1 226 GLU 4.09 2.46 1 227 GLU 4.34 2.88 1 228 VAL 6.16 1.24 1 229 HIS 4.77 3.48 1 230 HIS 4.29 3.84 1 231 LYS 5.54 2.97 1 232 GLN 6.17 2.70 1 233 GLU 2.32 1.01 1 234 SER 1.27 -0.83 1 235 ILE 0.37 -0.60 1 236 MET 3.43 0.74 1 237 ASP 2.14 -1.29 1 238 ALA 0.95 0.85 1 255 PHE 6.22 1.58 1 256 ILE 6.64 0.02 1 284 ARG -3.69 -2.33 1 285 SER 4.24 2.27 1 286 GLN -2.07 0.79 1 287 ARG 1.24 -3.30 1 288 SER 1.36 2.42 1 290 MET 0.49 1.70 1 291 VAL -1.52 1.25 1 292 GLN -5.94 -0.82 1 293 THR 3.65 1.29 1 294 GLU 3.82 3.60 1 295 ALA 6.48 1.13 1 296 GLN 2.99 3.01 1 309 GLU 4.92 1.99 1 310 THR 4.29 2.01 1 311 LEU 3.93 2.39 1 312 GLN 3.20 1.76 1 313 ARG 3.28 1.97 1 314 ARG 2.87 1.34 1 315 ILE 1.49 0.60 1 316 GLU 0.90 0.35 1 317 ASN 1.51 -0.21 1 318 LEU 0.52 -0.20 1 319 TYR 0.45 -0.92 1 stop_ save_