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 bmr19742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.84 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.52 _LACS_plot.Line_2_terminator_val_x_2 8.88 _LACS_plot.Line_2_terminator_val_y_2 6.53 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 LEU -8.84 -1.61 0 35 HIS 6.72 8.23 0 63 PHE 2.15 -2.87 0 11 ALA -2.74 -2.03 1 12 ARG 5.93 3.80 1 13 SER 1.10 0.14 1 14 LEU 2.91 3.31 1 15 VAL 3.68 1.73 1 16 ASP -0.29 -0.01 1 18 LEU 1.66 1.55 1 19 THR -1.76 -1.80 1 20 SER -1.95 -0.50 1 21 SER -0.51 0.39 1 22 HIS -0.24 0.34 1 23 LEU -2.69 -0.57 1 25 LYS -0.46 -0.37 1 27 ASP -3.80 -1.78 1 28 TYR 5.00 4.52 1 29 ALA 4.05 3.09 1 30 LYS 3.55 2.39 1 31 ALA 3.99 2.25 1 32 LEU 4.33 3.60 1 33 GLU 3.52 3.57 1 34 GLN 5.04 3.27 1 36 ASN 4.19 3.36 1 37 ALA 3.77 2.59 1 38 TYR 3.98 3.37 1 39 ILE 4.86 1.31 1 40 GLU 4.32 3.17 1 41 ALA 3.13 2.36 1 42 LEU 3.69 3.10 1 43 GLN 3.06 1.77 1 44 THR 1.00 0.98 1 46 ASP 4.03 2.00 1 47 VAL -6.64 -4.03 1 48 ASP -3.82 -1.95 1 49 ILE -1.45 -0.96 1 50 THR 1.59 1.53 1 51 LEU -2.95 -1.80 1 52 LEU 0.12 -0.66 1 55 ASP -3.76 -1.07 1 56 GLU 0.47 0.86 1 57 ARG 2.88 2.18 1 58 PHE -2.63 -0.43 1 60 ASP -2.01 1.21 1 61 SER 1.69 2.88 1 62 VAL 2.01 0.25 1 64 VAL 2.30 0.56 1 65 GLU 0.17 1.74 1 66 ASP 8.32 7.38 1 68 VAL -3.81 -1.05 1 69 LEU -5.57 -2.11 1 71 THR -4.33 -1.48 1 72 SER 3.79 2.83 1 73 ARG -2.81 -0.19 1 75 ALA -5.02 -2.86 1 76 ILE -2.82 -1.15 1 77 ILE 2.09 -1.01 1 78 THR 3.14 -1.29 1 79 ARG 0.77 0.78 1 82 ALA 0.39 -1.24 1 83 GLU 4.66 4.30 1 84 SER 3.35 2.39 1 85 ARG 1.62 0.51 1 86 ARG 6.83 5.43 1 88 GLU 0.87 1.72 1 89 THR 5.50 2.56 1 90 GLU 2.25 1.94 1 91 ILE 2.85 2.02 1 92 ILE -4.11 -0.45 1 93 GLU 5.20 4.26 1 94 GLU 3.69 3.49 1 95 THR 6.00 5.37 1 96 VAL 6.47 5.41 1 97 GLN 4.82 3.42 1 98 HIS 4.06 3.90 1 99 PHE 1.04 3.15 1 100 TYR 0.51 0.66 1 103 LYS -2.29 -1.72 1 104 VAL -0.23 -0.04 1 105 GLU -5.01 -2.45 1 106 ARG -2.61 -0.77 1 107 ILE -0.96 -4.07 1 108 GLU -5.29 -2.49 1 109 ALA 3.13 1.66 1 112 THR -2.41 -2.11 1 113 VAL -7.69 -2.15 1 114 GLU -3.52 -1.87 1 115 ALA 4.62 2.54 1 117 ASP 1.78 1.58 1 118 ILE -0.24 -0.37 1 119 MET -7.00 -1.68 1 120 MET -1.58 0.00 1 121 VAL -0.44 -1.42 1 123 ASP -0.55 -0.36 1 124 HIS -5.07 -0.49 1 125 PHE -1.88 -1.87 1 126 TYR -0.63 0.41 1 127 ILE -3.02 -1.20 1 129 GLU -1.85 -0.87 1 130 SER -6.38 -1.64 1 131 ALA 1.80 1.21 1 132 ARG -1.29 -0.87 1 133 THR -0.02 -0.13 1 134 ASN -4.13 -3.23 1 135 ALA 3.15 2.95 1 136 GLU 2.57 1.15 1 138 ALA 4.73 3.23 1 139 ARG 5.08 3.81 1 140 GLN 2.47 3.72 1 141 MET 4.01 1.51 1 142 ILE 6.35 5.43 1 143 ALA 4.45 2.72 1 144 ILE 5.45 4.85 1 145 LEU 6.42 3.48 1 146 GLU 4.00 2.73 1 147 LYS 3.98 2.92 1 148 HIS -0.35 1.93 1 150 LEU -3.40 -2.01 1 151 SER -3.48 -0.72 1 153 SER -2.40 -0.77 1 154 VAL -1.67 -0.51 1 155 VAL -3.52 -1.64 1 156 ARG 2.02 0.92 1 157 LEU -3.04 -0.82 1 158 GLU -2.49 0.80 1 159 LYS -0.24 1.13 1 160 VAL -5.04 -2.69 1 161 LEU 3.55 2.63 1 162 HIS -7.45 -3.00 1 163 LEU 2.19 4.63 1 164 LYS 6.50 2.72 1 165 THR 5.55 5.24 1 168 ALA -4.12 0.36 1 169 TYR 0.67 -0.46 1 170 LEU -0.37 -2.42 1 171 GLU 3.29 1.41 1 172 HIS 3.48 0.71 1 173 ASN 0.21 1.88 1 174 ASN -0.58 0.45 1 175 LEU -7.76 -2.28 1 176 LEU 0.17 -0.81 1 177 ALA -5.81 -1.48 1 178 ALA -7.65 -3.23 1 180 GLU 1.19 0.80 1 181 PHE 1.26 2.41 1 182 VAL 5.12 4.26 1 183 SER -1.30 -1.25 1 184 LYS 2.32 0.95 1 186 GLU 4.83 3.01 1 187 PHE -0.86 -1.83 1 188 GLN 3.05 2.46 1 189 ASP 1.58 0.79 1 190 PHE 0.17 0.85 1 191 ASN 1.45 -0.08 1 192 ILE 1.33 0.82 1 193 ILE 0.23 -1.24 1 194 GLU -0.25 -0.43 1 195 ILE -1.96 -3.59 1 197 GLU 4.11 3.72 1 198 GLU 3.42 2.32 1 199 GLU -2.25 -1.57 1 200 SER 6.37 4.83 1 201 TYR 1.55 2.13 1 202 ALA 1.87 -0.10 1 203 ALA 1.30 0.91 1 204 ASN -0.46 0.18 1 206 ILE -5.55 -2.92 1 207 TRP -2.08 -0.66 1 208 VAL -0.97 -0.02 1 210 GLU 6.59 2.84 1 211 ARG -1.66 -0.36 1 212 VAL -3.28 -1.66 1 213 ILE -0.15 -1.12 1 214 MET -6.38 -1.63 1 216 ALA -1.08 -0.50 1 218 TYR 0.96 0.96 1 220 ARG 5.39 4.02 1 221 THR 8.88 7.18 1 222 ARG 5.46 4.60 1 223 GLU 2.83 2.57 1 224 LYS 3.89 4.04 1 225 ILE 4.45 4.74 1 226 ALA 3.91 2.85 1 227 ARG 3.11 2.41 1 228 LEU 0.26 0.28 1 230 TYR -0.80 -0.14 1 231 ARG 0.53 0.09 1 232 VAL -0.01 0.03 1 233 ILE -2.41 -0.17 1 234 GLU -5.10 -1.79 1 235 VAL -3.84 -2.80 1 236 ASP 4.13 0.18 1 237 THR 0.95 -0.81 1 238 SER 5.48 4.23 1 239 GLU 3.15 1.90 1 240 TYR 4.08 3.37 1 241 ARG 5.24 3.55 1 242 LYS 3.90 2.99 1 243 ILE 0.41 -1.15 1 244 ASP 2.83 1.22 1 247 VAL 3.42 2.47 1 248 SER 6.66 3.58 1 250 MET -2.51 0.90 1 251 SER -2.28 0.17 1 252 LEU -3.65 -0.95 1 253 ARG -1.99 -1.66 1 254 PHE 3.41 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.84 _LACS_plot.Line_1_terminator_val_y_1 5.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 8.88 _LACS_plot.Line_2_terminator_val_y_2 -2.35 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 LEU -8.84 7.23 0 35 HIS 6.72 1.51 0 63 PHE 2.15 -5.02 0 11 ALA -2.74 0.71 1 12 ARG 5.93 -2.13 1 13 SER 1.10 -0.96 1 14 LEU 2.91 0.40 1 15 VAL 3.68 -1.95 1 16 ASP -0.29 0.28 1 18 LEU 1.66 -0.11 1 19 THR -1.76 -0.04 1 20 SER -1.95 1.45 1 21 SER -0.51 0.90 1 22 HIS -0.24 0.58 1 23 LEU -2.69 2.12 1 25 LYS -0.46 0.09 1 27 ASP -3.80 2.02 1 28 TYR 5.00 -0.48 1 29 ALA 4.05 -0.96 1 30 LYS 3.55 -1.16 1 31 ALA 3.99 -1.74 1 32 LEU 4.33 -0.73 1 33 GLU 3.52 0.05 1 34 GLN 5.04 -1.77 1 36 ASN 4.19 -0.83 1 37 ALA 3.77 -1.18 1 38 TYR 3.98 -0.61 1 39 ILE 4.86 -3.55 1 40 GLU 4.32 -1.15 1 41 ALA 3.13 -0.77 1 42 LEU 3.69 -0.59 1 43 GLN 3.06 -1.29 1 44 THR 1.00 -0.02 1 46 ASP 4.03 -2.03 1 47 VAL -6.64 2.61 1 48 ASP -3.82 1.87 1 49 ILE -1.45 0.49 1 50 THR 1.59 -0.06 1 51 LEU -2.95 1.15 1 52 LEU 0.12 -0.78 1 55 ASP -3.76 2.69 1 56 GLU 0.47 0.39 1 57 ARG 2.88 -0.70 1 58 PHE -2.63 2.20 1 60 ASP -2.01 3.22 1 61 SER 1.69 1.19 1 62 VAL 2.01 -1.76 1 64 VAL 2.30 -1.74 1 65 GLU 0.17 1.57 1 66 ASP 8.32 -0.94 1 68 VAL -3.81 2.76 1 69 LEU -5.57 3.46 1 71 THR -4.33 2.85 1 72 SER 3.79 -0.96 1 73 ARG -2.81 2.62 1 75 ALA -5.02 2.16 1 76 ILE -2.82 1.67 1 77 ILE 2.09 -3.10 1 78 THR 3.14 -4.43 1 79 ARG 0.77 0.01 1 82 ALA 0.39 -1.63 1 83 GLU 4.66 -0.36 1 84 SER 3.35 -0.96 1 85 ARG 1.62 -1.11 1 86 ARG 6.83 -1.40 1 88 GLU 0.87 0.85 1 89 THR 5.50 -2.94 1 90 GLU 2.25 -0.31 1 91 ILE 2.85 -0.83 1 92 ILE -4.11 3.66 1 93 GLU 5.20 -0.94 1 94 GLU 3.69 -0.20 1 95 THR 6.00 -0.63 1 96 VAL 6.47 -1.06 1 97 GLN 4.82 -1.40 1 98 HIS 4.06 -0.16 1 99 PHE 1.04 2.11 1 100 TYR 0.51 0.15 1 103 LYS -2.29 0.57 1 104 VAL -0.23 0.19 1 105 GLU -5.01 2.56 1 106 ARG -2.61 1.84 1 107 ILE -0.96 -3.11 1 108 GLU -5.29 2.80 1 109 ALA 3.13 -1.47 1 112 THR -2.41 0.30 1 113 VAL -7.69 5.54 1 114 GLU -3.52 1.65 1 115 ALA 4.62 -2.08 1 117 ASP 1.78 -0.20 1 118 ILE -0.24 -0.13 1 119 MET -7.00 5.32 1 120 MET -1.58 1.58 1 121 VAL -0.44 -0.98 1 123 ASP -0.55 0.19 1 124 HIS -5.07 4.58 1 125 PHE -1.88 0.01 1 126 TYR -0.63 1.04 1 127 ILE -3.02 1.82 1 129 GLU -1.85 0.98 1 130 SER -6.38 4.74 1 131 ALA 1.80 -0.59 1 132 ARG -1.29 0.42 1 133 THR -0.02 -0.11 1 134 ASN -4.13 0.90 1 135 ALA 3.15 -0.20 1 136 GLU 2.57 -1.42 1 138 ALA 4.73 -1.50 1 139 ARG 5.08 -1.27 1 140 GLN 2.47 1.25 1 141 MET 4.01 -2.50 1 142 ILE 6.35 -0.92 1 143 ALA 4.45 -1.73 1 144 ILE 5.45 -0.60 1 145 LEU 6.42 -2.94 1 146 GLU 4.00 -1.27 1 147 LYS 3.98 -1.06 1 148 HIS -0.35 2.28 1 150 LEU -3.40 1.39 1 151 SER -3.48 2.76 1 153 SER -2.40 1.63 1 154 VAL -1.67 1.16 1 155 VAL -3.52 1.88 1 156 ARG 2.02 -1.10 1 157 LEU -3.04 2.22 1 158 GLU -2.49 3.29 1 159 LYS -0.24 1.37 1 160 VAL -5.04 2.35 1 161 LEU 3.55 -0.92 1 162 HIS -7.45 4.45 1 163 LEU 2.19 2.44 1 164 LYS 6.50 -3.78 1 165 THR 5.55 -0.31 1 168 ALA -4.12 4.48 1 169 TYR 0.67 -1.13 1 170 LEU -0.37 -2.05 1 171 GLU 3.29 -1.88 1 172 HIS 3.48 -2.77 1 173 ASN 0.21 1.67 1 174 ASN -0.58 1.03 1 175 LEU -7.76 5.48 1 176 LEU 0.17 -0.98 1 177 ALA -5.81 4.33 1 178 ALA -7.65 4.42 1 180 GLU 1.19 -0.39 1 181 PHE 1.26 1.15 1 182 VAL 5.12 -0.86 1 183 SER -1.30 0.05 1 184 LYS 2.32 -1.37 1 186 GLU 4.83 -1.82 1 187 PHE -0.86 -0.97 1 188 GLN 3.05 -0.59 1 189 ASP 1.58 -0.79 1 190 PHE 0.17 0.68 1 191 ASN 1.45 -1.53 1 192 ILE 1.33 -0.51 1 193 ILE 0.23 -1.47 1 194 GLU -0.25 -0.18 1 195 ILE -1.96 -1.63 1 197 GLU 4.11 -0.39 1 198 GLU 3.42 -1.10 1 199 GLU -2.25 0.68 1 200 SER 6.37 -1.54 1 201 TYR 1.55 0.58 1 202 ALA 1.87 -1.97 1 203 ALA 1.30 -0.39 1 204 ASN -0.46 0.64 1 206 ILE -5.55 2.63 1 207 TRP -2.08 1.42 1 208 VAL -0.97 0.95 1 210 GLU 6.59 -3.75 1 211 ARG -1.66 1.30 1 212 VAL -3.28 1.62 1 213 ILE -0.15 -0.97 1 214 MET -6.38 4.75 1 216 ALA -1.08 0.58 1 218 TYR 0.96 0.00 1 220 ARG 5.39 -1.37 1 221 THR 8.88 -1.70 1 222 ARG 5.46 -0.86 1 223 GLU 2.83 -0.26 1 224 LYS 3.89 0.15 1 225 ILE 4.45 0.29 1 226 ALA 3.91 -1.06 1 227 ARG 3.11 -0.70 1 228 LEU 0.26 0.02 1 230 TYR -0.80 0.66 1 231 ARG 0.53 -0.44 1 232 VAL -0.01 0.04 1 233 ILE -2.41 2.24 1 234 GLU -5.10 3.31 1 235 VAL -3.84 1.04 1 236 ASP 4.13 -3.95 1 237 THR 0.95 -1.76 1 238 SER 5.48 -1.25 1 239 GLU 3.15 -1.25 1 240 TYR 4.08 -0.71 1 241 ARG 5.24 -1.69 1 242 LYS 3.90 -0.91 1 243 ILE 0.41 -1.56 1 244 ASP 2.83 -1.61 1 247 VAL 3.42 -0.95 1 248 SER 6.66 -3.08 1 250 MET -2.51 3.41 1 251 SER -2.28 2.45 1 252 LEU -3.65 2.70 1 253 ARG -1.99 0.33 1 254 PHE 3.41 -1.79 1 stop_ save_