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 bmr34457_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 -2.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.82 _LACS_plot.Line_2_terminator_val_x_2 5.39 _LACS_plot.Line_2_terminator_val_y_2 3.07 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 SER -4.72 -5.18 0 10 LEU 4.87 1.06 1 12 LYS 4.38 3.50 1 14 ALA 3.94 2.57 1 15 ARG 5.25 3.88 1 16 ASP 5.21 2.99 1 22 TYR -2.39 -1.95 1 24 PHE 0.36 -1.28 1 26 LEU -5.24 -1.86 1 27 ILE -0.41 -1.25 1 28 LYS -4.05 -1.14 1 29 LEU -4.61 -1.63 1 30 ASP -4.34 -0.32 1 31 LEU -3.21 -1.11 1 32 LYS -3.31 -0.88 1 33 THR -1.99 -1.60 1 34 LYS -2.60 -0.80 1 35 SER -2.00 -1.36 1 39 LEU 0.15 0.00 1 40 GLU -3.83 -1.67 1 41 PHE -3.15 -1.35 1 42 THR -1.61 -0.67 1 43 SER -3.70 -1.75 1 44 SER -3.24 -1.70 1 46 SER -3.55 -1.47 1 47 ALA -5.18 -2.91 1 48 ASN -0.78 -0.30 1 53 LYS 0.91 0.39 1 54 VAL -3.01 -2.28 1 55 THR -3.16 -1.85 1 57 SER -2.98 -0.96 1 58 LEU -4.22 -0.84 1 59 GLU -4.99 -1.85 1 60 THR -0.91 -0.78 1 61 LYS -4.42 -1.48 1 62 TYR -3.73 -1.20 1 63 ARG -2.58 -1.42 1 64 TRP -2.67 -3.28 1 69 LEU -4.38 -1.13 1 70 THR -0.40 0.34 1 71 PHE -4.31 -1.50 1 72 THR -1.35 -0.81 1 73 GLU -4.33 -2.07 1 75 TRP -4.29 -0.98 1 76 ASN -3.79 -1.55 1 77 THR 3.96 2.02 1 78 ASP 1.96 0.13 1 79 ASN 3.05 1.24 1 80 THR 2.08 1.20 1 81 LEU -3.10 -1.62 1 85 ILE -3.29 -1.03 1 86 THR -2.54 -0.91 1 87 VAL -2.91 -2.10 1 88 GLU -4.23 -1.15 1 93 ARG 4.31 1.79 1 95 LEU -3.36 -1.26 1 96 LYS -3.20 -0.90 1 97 LEU -4.30 -1.51 1 98 THR -2.31 -0.54 1 99 PHE -3.17 -1.71 1 100 ASP -5.05 -1.71 1 101 SER -3.29 -1.68 1 102 SER -3.01 -1.06 1 103 PHE -4.52 -1.81 1 109 LYS 0.89 0.42 1 110 LYS -2.67 -1.25 1 111 ASN -3.51 -0.33 1 112 ALA -3.49 -0.95 1 113 LYS -4.86 -1.48 1 114 ILE -3.51 -1.79 1 115 LYS -2.20 -1.39 1 116 THR -2.61 -1.53 1 118 TYR -4.27 -1.27 1 119 LYS -4.40 -3.05 1 120 ARG -2.15 -2.10 1 121 GLU 4.59 3.03 1 123 ILE -4.28 -1.09 1 124 ASN -1.96 -0.07 1 125 LEU -4.86 -1.61 1 128 ASP -3.00 -1.55 1 129 MET -3.41 -0.84 1 130 ASP -2.69 -1.28 1 131 PHE 2.23 0.39 1 132 ASP -0.03 0.01 1 133 ILE 3.24 2.06 1 134 ALA 0.94 0.13 1 137 SER -2.02 -0.82 1 138 ILE -3.42 -1.37 1 139 ARG -2.97 -1.98 1 141 ALA -4.98 -1.43 1 142 LEU -4.83 -1.33 1 143 VAL -2.89 -1.13 1 144 LEU -5.56 -2.92 1 146 TYR -1.30 1.17 1 147 GLU 3.67 0.67 1 149 TRP -0.70 -0.16 1 150 LEU -5.84 -1.37 1 151 ALA -4.12 -1.61 1 153 TYR -6.44 -1.75 1 154 GLN -4.36 -2.41 1 155 MET -4.46 -2.37 1 156 ASN -4.28 -0.70 1 157 PHE -3.61 -1.34 1 158 GLU -1.69 -1.59 1 159 THR 5.40 3.25 1 160 ALA 3.07 2.06 1 162 SER 2.76 0.19 1 163 ARG -4.34 -2.07 1 164 VAL 1.70 -0.05 1 165 THR 1.02 -0.33 1 166 GLN -3.32 -0.22 1 167 SER -0.36 -1.17 1 168 ASN -3.80 -1.44 1 169 PHE -5.66 -1.44 1 170 ALA -5.70 -1.32 1 171 VAL -4.11 -1.91 1 173 TYR -4.75 -1.18 1 174 LYS -3.31 -0.61 1 175 THR -3.47 -2.19 1 178 PHE -3.65 -1.38 1 179 GLN -4.28 -1.79 1 180 LEU -4.09 -1.51 1 181 HIS -3.40 1.23 1 183 ASN -3.74 0.11 1 184 VAL -2.26 -2.06 1 185 ASN -0.71 -1.65 1 186 ASP 2.57 1.79 1 188 THR -0.40 0.81 1 189 GLU -2.53 -1.82 1 190 PHE -2.75 -1.71 1 193 SER -4.70 -2.05 1 194 ILE -3.98 -1.31 1 195 TYR -5.58 -2.17 1 196 GLN -4.21 -1.90 1 197 LYS 1.51 -0.31 1 202 LEU -2.98 -0.98 1 203 GLU -6.52 -2.33 1 204 THR -4.62 -2.26 1 205 ALA -6.00 -1.57 1 206 VAL -5.23 -2.66 1 207 ASN -4.25 -0.94 1 208 LEU -4.21 -0.76 1 209 ALA -3.71 -0.50 1 210 TRP -1.90 0.26 1 211 THR -1.92 -1.32 1 212 ALA 1.76 0.86 1 214 ASN -1.30 -0.70 1 216 ASN 0.06 0.07 1 217 THR 1.23 0.92 1 218 ARG -0.98 -0.87 1 219 PHE -3.97 -1.70 1 221 ILE -4.05 -1.38 1 222 ALA -5.08 -2.09 1 223 ALA -6.32 -2.15 1 224 LYS -2.85 0.12 1 225 TYR -5.65 -2.58 1 226 GLN 1.41 -1.16 1 227 ILE 3.60 3.57 1 228 ASP 1.25 0.64 1 230 ASP -2.10 -0.36 1 231 ALA -4.25 -0.76 1 233 PHE -5.94 -2.12 1 234 SER -1.45 -0.78 1 235 ALA -5.38 -1.56 1 236 LYS -4.18 -1.35 1 237 VAL -3.97 -2.48 1 238 ASN -4.24 -2.14 1 239 ASN 4.09 1.94 1 240 SER 1.48 0.04 1 242 LEU 0.88 -1.13 1 243 ILE -3.02 -1.50 1 245 LEU -5.58 -1.66 1 247 TYR -5.61 -1.59 1 248 THR -1.89 -0.81 1 249 GLN -6.76 -3.12 1 251 LEU -1.19 0.20 1 255 ILE -1.55 -1.06 1 257 LEU -5.09 -1.94 1 258 THR -1.47 -0.46 1 259 LEU -4.67 -2.00 1 260 SER -3.90 -1.39 1 261 ALA -4.70 -1.15 1 262 LEU -3.10 -2.55 1 263 LEU -3.50 -2.61 1 264 ASP -0.20 -1.72 1 266 LYS 2.62 0.82 1 267 ASN -0.09 -1.12 1 268 VAL 4.78 3.04 1 269 ASN 2.09 1.41 1 270 ALA -0.25 -0.58 1 273 HIS -2.42 -0.26 1 274 LYS -4.47 -1.15 1 275 LEU -4.43 -1.38 1 277 LEU -4.98 -1.06 1 279 LEU -4.67 -1.62 1 282 GLN -2.77 -1.49 1 283 ALA -0.90 -1.06 1 284 LEU -0.20 -0.73 1 285 GLU -0.38 -0.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34457_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 4.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 5.39 _LACS_plot.Line_2_terminator_val_y_2 -2.32 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 SER -4.72 -0.46 0 10 LEU 4.87 -3.81 1 12 LYS 4.38 -0.88 1 14 ALA 3.94 -1.37 1 15 ARG 5.25 -1.37 1 16 ASP 5.21 -2.22 1 22 TYR -2.39 0.44 1 24 PHE 0.36 -1.64 1 26 LEU -5.24 3.38 1 27 ILE -0.41 -0.84 1 28 LYS -4.05 2.91 1 29 LEU -4.61 2.98 1 30 ASP -4.34 4.02 1 31 LEU -3.21 2.10 1 32 LYS -3.31 2.43 1 33 THR -1.99 0.39 1 34 LYS -2.60 1.80 1 35 SER -2.00 0.64 1 39 LEU 0.15 -0.15 1 40 GLU -3.83 2.16 1 41 PHE -3.15 1.80 1 42 THR -1.61 0.94 1 43 SER -3.70 1.95 1 44 SER -3.24 1.54 1 46 SER -3.55 2.08 1 47 ALA -5.18 2.27 1 48 ASN -0.78 0.48 1 53 LYS 0.91 -0.52 1 54 VAL -3.01 0.73 1 55 THR -3.16 1.31 1 57 SER -2.98 2.02 1 58 LEU -4.22 3.38 1 59 GLU -4.99 3.14 1 60 THR -0.91 0.13 1 61 LYS -4.42 2.94 1 62 TYR -3.73 2.53 1 63 ARG -2.58 1.16 1 64 TRP -2.67 -0.61 1 69 LEU -4.38 3.25 1 70 THR -0.40 0.74 1 71 PHE -4.31 2.81 1 72 THR -1.35 0.54 1 73 GLU -4.33 2.26 1 75 TRP -4.29 3.31 1 76 ASN -3.79 2.24 1 77 THR 3.96 -1.94 1 78 ASP 1.96 -1.83 1 79 ASN 3.05 -1.81 1 80 THR 2.08 -0.88 1 81 LEU -3.10 1.48 1 85 ILE -3.29 2.26 1 86 THR -2.54 1.63 1 87 VAL -2.91 0.81 1 88 GLU -4.23 3.08 1 93 ARG 4.31 -2.52 1 95 LEU -3.36 2.10 1 96 LYS -3.20 2.30 1 97 LEU -4.30 2.79 1 98 THR -2.31 1.77 1 99 PHE -3.17 1.46 1 100 ASP -5.05 3.34 1 101 SER -3.29 1.61 1 102 SER -3.01 1.95 1 103 PHE -4.52 2.71 1 109 LYS 0.89 -0.47 1 110 LYS -2.67 1.42 1 111 ASN -3.51 3.18 1 112 ALA -3.49 2.54 1 113 LYS -4.86 3.38 1 114 ILE -3.51 1.72 1 115 LYS -2.20 0.81 1 116 THR -2.61 1.08 1 118 TYR -4.27 3.00 1 119 LYS -4.40 1.35 1 120 ARG -2.15 0.05 1 121 GLU 4.59 -1.56 1 123 ILE -4.28 3.19 1 124 ASN -1.96 1.89 1 125 LEU -4.86 3.25 1 128 ASP -3.00 1.45 1 129 MET -3.41 2.57 1 130 ASP -2.69 1.41 1 131 PHE 2.23 -1.84 1 132 ASP -0.03 0.04 1 133 ILE 3.24 -1.18 1 134 ALA 0.94 -0.81 1 137 SER -2.02 1.20 1 138 ILE -3.42 2.05 1 139 ARG -2.97 0.99 1 141 ALA -4.98 3.55 1 142 LEU -4.83 3.50 1 143 VAL -2.89 1.76 1 144 LEU -5.56 2.64 1 146 TYR -1.30 2.47 1 147 GLU 3.67 -3.00 1 149 TRP -0.70 0.54 1 150 LEU -5.84 4.47 1 151 ALA -4.12 2.51 1 153 TYR -6.44 4.69 1 154 GLN -4.36 1.95 1 155 MET -4.46 2.09 1 156 ASN -4.28 3.58 1 157 PHE -3.61 2.27 1 158 GLU -1.69 0.10 1 159 THR 5.40 -2.15 1 160 ALA 3.07 -1.01 1 162 SER 2.76 -2.57 1 163 ARG -4.34 2.27 1 164 VAL 1.70 -1.75 1 165 THR 1.02 -1.35 1 166 GLN -3.32 3.10 1 167 SER -0.36 -0.81 1 168 ASN -3.80 2.36 1 169 PHE -5.66 4.22 1 170 ALA -5.70 4.38 1 171 VAL -4.11 2.20 1 173 TYR -4.75 3.57 1 174 LYS -3.31 2.70 1 175 THR -3.47 1.28 1 178 PHE -3.65 2.27 1 179 GLN -4.28 2.49 1 180 LEU -4.09 2.58 1 181 HIS -3.40 4.63 1 183 ASN -3.74 3.85 1 184 VAL -2.26 0.20 1 185 ASN -0.71 -0.94 1 186 ASP 2.57 -0.78 1 188 THR -0.40 1.21 1 189 GLU -2.53 0.71 1 190 PHE -2.75 1.04 1 193 SER -4.70 2.65 1 194 ILE -3.98 2.67 1 195 TYR -5.58 3.41 1 196 GLN -4.21 2.31 1 197 LYS 1.51 -1.82 1 202 LEU -2.98 2.00 1 203 GLU -6.52 4.19 1 204 THR -4.62 2.36 1 205 ALA -6.00 4.43 1 206 VAL -5.23 2.57 1 207 ASN -4.25 3.31 1 208 LEU -4.21 3.45 1 209 ALA -3.71 3.21 1 210 TRP -1.90 2.16 1 211 THR -1.92 0.60 1 212 ALA 1.76 -0.90 1 214 ASN -1.30 0.60 1 216 ASN 0.06 0.01 1 217 THR 1.23 -0.31 1 218 ARG -0.98 0.11 1 219 PHE -3.97 2.27 1 221 ILE -4.05 2.67 1 222 ALA -5.08 2.99 1 223 ALA -6.32 4.17 1 224 LYS -2.85 2.97 1 225 TYR -5.65 3.07 1 226 GLN 1.41 -2.57 1 227 ILE 3.60 -0.03 1 228 ASP 1.25 -0.61 1 230 ASP -2.10 1.74 1 231 ALA -4.25 3.49 1 233 PHE -5.94 3.82 1 234 SER -1.45 0.67 1 235 ALA -5.38 3.82 1 236 LYS -4.18 2.83 1 237 VAL -3.97 1.49 1 238 ASN -4.24 2.10 1 239 ASN 4.09 -2.15 1 240 SER 1.48 -1.44 1 242 LEU 0.88 -2.01 1 243 ILE -3.02 1.52 1 245 LEU -5.58 3.92 1 247 TYR -5.61 4.02 1 248 THR -1.89 1.08 1 249 GLN -6.76 3.64 1 251 LEU -1.19 1.39 1 255 ILE -1.55 0.49 1 257 LEU -5.09 3.15 1 258 THR -1.47 1.01 1 259 LEU -4.67 2.67 1 260 SER -3.90 2.51 1 261 ALA -4.70 3.55 1 262 LEU -3.10 0.55 1 263 LEU -3.50 0.89 1 264 ASP -0.20 -1.52 1 266 LYS 2.62 -1.80 1 267 ASN -0.09 -1.03 1 268 VAL 4.78 -1.74 1 269 ASN 2.09 -0.68 1 270 ALA -0.25 -0.33 1 273 HIS -2.42 2.16 1 274 LYS -4.47 3.32 1 275 LEU -4.43 3.05 1 277 LEU -4.98 3.92 1 279 LEU -4.67 3.05 1 282 GLN -2.77 1.28 1 283 ALA -0.90 -0.16 1 284 LEU -0.20 -0.53 1 285 GLU -0.38 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34457_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 5.39 _LACS_plot.Line_2_terminator_val_y_2 0.81 _LACS_plot.Y_axis_chem_shift_offset 0.96 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 159 THR 5.40 2.34 0 273 HIS -2.42 1.87 0 238 ASN -4.24 1.26 0 24 PHE 0.36 1.23 1 27 ILE -0.41 -1.35 1 28 LYS -4.05 -2.70 1 29 LEU -4.61 -3.29 1 30 ASP -4.34 -2.51 1 31 LEU -3.21 -2.53 1 33 THR -1.99 -2.01 1 42 THR -1.61 -1.14 1 44 SER -3.24 -1.42 1 46 SER -3.55 -2.44 1 47 ALA -5.18 -2.56 1 53 LYS 0.91 0.07 1 54 VAL -3.01 -1.21 1 55 THR -3.16 -2.43 1 57 SER -2.98 -2.34 1 58 LEU -4.22 -2.81 1 60 THR -0.91 -2.10 1 61 LYS -4.42 -2.57 1 62 TYR -3.73 -1.72 1 63 ARG -2.58 -1.81 1 70 THR -0.40 -2.39 1 71 PHE -4.31 -2.09 1 72 THR -1.35 -1.83 1 77 THR 3.96 0.44 1 80 THR 2.08 -1.30 1 85 ILE -3.29 -2.08 1 86 THR -2.54 -1.68 1 87 VAL -2.91 -1.39 1 93 ARG 4.31 0.90 1 95 LEU -3.36 -2.37 1 97 LEU -4.30 -3.06 1 98 THR -2.31 -1.89 1 99 PHE -3.17 -2.93 1 100 ASP -5.05 -1.85 1 102 SER -3.01 -1.36 1 103 PHE -4.52 -2.50 1 109 LYS 0.89 -0.88 1 111 ASN -3.51 -1.67 1 112 ALA -3.49 -2.99 1 113 LYS -4.86 -1.32 1 114 ILE -3.51 -1.61 1 115 LYS -2.20 -0.82 1 116 THR -2.61 -0.26 1 118 TYR -4.27 -3.73 1 119 LYS -4.40 -3.48 1 120 ARG -2.15 -1.71 1 121 GLU 4.59 0.82 1 123 ILE -4.28 -4.54 1 124 ASN -1.96 -0.76 1 125 LEU -4.86 -1.90 1 128 ASP -3.00 -1.48 1 129 MET -3.41 -3.33 1 130 ASP -2.69 -0.33 1 133 ILE 3.24 0.29 1 134 ALA 0.94 0.07 1 137 SER -2.02 -2.00 1 138 ILE -3.42 -3.07 1 139 ARG -2.97 -0.40 1 141 ALA -4.98 -2.99 1 142 LEU -4.83 -2.70 1 143 VAL -2.89 -1.65 1 144 LEU -5.56 -1.51 1 146 TYR -1.30 -2.18 1 147 GLU 3.67 -1.09 1 149 TRP -0.70 1.22 1 150 LEU -5.84 -2.32 1 151 ALA -4.12 -2.58 1 153 TYR -6.44 -4.06 1 154 GLN -4.36 -3.83 1 155 MET -4.46 -2.14 1 156 ASN -4.28 -1.83 1 157 PHE -3.61 -2.38 1 162 SER 2.76 -1.59 1 163 ARG -4.34 -1.98 1 164 VAL 1.70 0.65 1 166 GLN -3.32 -1.50 1 167 SER -0.36 -1.97 1 168 ASN -3.80 -3.38 1 169 PHE -5.66 -2.51 1 170 ALA -5.70 -1.65 1 171 VAL -4.11 -0.91 1 173 TYR -4.75 -2.19 1 178 PHE -3.65 -1.77 1 179 GLN -4.28 -2.19 1 180 LEU -4.09 -3.28 1 183 ASN -3.74 -2.60 1 184 VAL -2.26 -1.35 1 188 THR -0.40 -2.25 1 189 GLU -2.53 -2.42 1 190 PHE -2.75 0.52 1 193 SER -4.70 -1.37 1 194 ILE -3.98 -3.10 1 195 TYR -5.58 -3.08 1 196 GLN -4.21 -1.69 1 203 GLU -6.52 -1.83 1 204 THR -4.62 -3.14 1 205 ALA -6.00 -3.31 1 206 VAL -5.23 -1.99 1 207 ASN -4.25 -2.78 1 208 LEU -4.21 -2.42 1 209 ALA -3.71 -2.50 1 210 TRP -1.90 -2.95 1 211 THR -1.92 -1.00 1 217 THR 1.23 -0.66 1 218 ARG -0.98 -1.24 1 219 PHE -3.97 -2.34 1 221 ILE -4.05 -4.44 1 222 ALA -5.08 -2.69 1 223 ALA -6.32 -1.05 1 224 LYS -2.85 -2.42 1 225 TYR -5.65 -2.53 1 226 GLN 1.41 -2.49 1 227 ILE 3.60 -0.85 1 231 ALA -4.25 -2.93 1 233 PHE -5.94 -3.05 1 234 SER -1.45 -3.85 1 235 ALA -5.38 -2.28 1 236 LYS -4.18 -2.51 1 237 VAL -3.97 -2.31 1 242 LEU 0.88 -0.98 1 243 ILE -3.02 -1.72 1 245 LEU -5.58 -1.33 1 247 TYR -5.61 -1.97 1 248 THR -1.89 -2.62 1 257 LEU -5.09 -3.28 1 258 THR -1.47 -1.18 1 259 LEU -4.67 -3.20 1 260 SER -3.90 -1.87 1 261 ALA -4.70 -4.50 1 262 LEU -3.10 -2.42 1 264 ASP -0.20 0.45 1 266 LYS 2.62 0.43 1 267 ASN -0.09 -0.25 1 268 VAL 4.78 1.02 1 269 ASN 2.09 0.51 1 270 ALA -0.25 -0.18 1 274 LYS -4.47 -1.55 1 275 LEU -4.43 0.32 1 277 LEU -4.98 -2.41 1 282 GLN -2.77 -1.77 1 283 ALA -0.90 -1.55 1 284 LEU -0.20 -0.89 1 stop_ save_