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 bmr19743_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 -3.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.91 _LACS_plot.Line_2_terminator_val_x_2 9.64 _LACS_plot.Line_2_terminator_val_y_2 6.51 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 HIS 5.57 7.61 0 63 PHE 1.36 -4.21 0 11 ALA -2.20 -2.40 1 12 ARG 6.20 3.05 1 13 SER 1.67 0.29 1 14 LEU 3.05 3.04 1 15 VAL 2.04 0.11 1 16 ASP 0.18 0.16 1 18 LEU 1.46 0.19 1 19 THR 0.50 -0.24 1 20 SER 0.59 0.41 1 22 HIS 1.32 2.08 1 23 LEU 0.09 -0.44 1 25 LYS -0.12 -0.62 1 27 ASP -4.34 -2.14 1 28 TYR 5.67 4.86 1 29 ALA 4.57 2.56 1 30 LYS 3.58 1.92 1 31 ALA 5.46 1.96 1 32 LEU 5.42 3.53 1 33 GLU 4.33 3.47 1 34 GLN 4.93 2.80 1 36 ASN 3.96 3.11 1 37 ALA 3.51 2.10 1 38 TYR 4.07 2.86 1 39 ILE 5.58 0.96 1 40 GLU 3.58 2.95 1 41 ALA 3.99 2.34 1 42 LEU 4.09 2.60 1 43 GLN 3.37 1.84 1 44 THR 1.21 0.53 1 46 ASP 3.89 1.33 1 47 VAL -7.03 -4.40 1 48 ASP -3.60 -2.19 1 49 ILE -0.36 -0.62 1 50 THR 1.60 1.03 1 51 LEU -2.25 -2.53 1 52 LEU 0.19 -1.08 1 55 ASP -3.68 -1.47 1 56 GLU 0.89 0.46 1 57 ARG 2.04 0.85 1 58 PHE -0.24 -0.65 1 60 ASP -1.30 -0.10 1 61 SER 3.75 3.15 1 62 VAL 2.55 0.52 1 64 VAL 1.97 -0.12 1 65 GLU 0.37 1.33 1 66 ASP 8.24 6.97 1 68 VAL -0.30 -1.55 1 69 LEU -4.90 -2.61 1 71 THR -4.69 -1.89 1 72 SER 3.81 2.92 1 73 ARG -2.51 -0.62 1 75 ALA -4.51 -3.18 1 76 ILE -2.96 -1.61 1 77 ILE 2.17 -1.36 1 78 THR 2.65 -1.64 1 79 ARG 1.12 0.51 1 82 ALA 0.05 -1.58 1 83 GLU 4.93 3.94 1 84 SER 4.59 2.84 1 85 ARG 1.75 0.24 1 86 ARG 6.89 4.61 1 88 GLU 0.79 1.34 1 89 THR 5.92 2.27 1 90 GLU 1.95 1.47 1 91 ILE 3.16 1.05 1 92 ILE -3.78 -1.41 1 93 GLU 5.41 3.81 1 94 GLU 4.15 2.94 1 95 THR 6.82 4.93 1 96 VAL 7.56 5.60 1 97 GLN 1.02 2.47 1 98 HIS 4.12 4.09 1 99 PHE 0.88 2.42 1 100 TYR 0.64 0.26 1 103 LYS -1.99 -2.27 1 104 VAL 0.46 -0.53 1 105 GLU -4.17 -2.80 1 106 ARG -1.40 -0.38 1 107 ILE -0.44 -3.89 1 108 GLU -5.57 -2.88 1 109 ALA 2.24 1.23 1 112 THR -3.22 -2.37 1 113 VAL -7.19 -1.95 1 114 GLU -3.41 -2.52 1 115 ALA 5.03 2.03 1 117 ASP 2.24 1.79 1 118 ILE -0.66 -0.78 1 119 MET -5.65 -1.21 1 120 MET -1.62 -0.50 1 121 VAL -1.01 -2.29 1 123 ASP -1.05 -0.72 1 124 HIS -4.13 -0.84 1 125 PHE -1.84 -2.32 1 126 TYR -0.89 -0.04 1 127 ILE -2.53 -1.63 1 129 GLU -1.36 -1.40 1 130 SER -6.47 -1.90 1 131 ALA 1.97 0.95 1 132 ARG -1.02 -1.25 1 133 THR -0.28 -0.42 1 134 ASN -4.00 -3.41 1 135 ALA 3.99 2.48 1 136 GLU 3.77 1.51 1 138 ALA 4.67 2.73 1 139 ARG 5.03 3.27 1 140 GLN 4.40 3.87 1 141 MET 4.51 1.08 1 142 ILE 7.96 6.05 1 143 ALA 2.17 1.80 1 144 ILE 5.45 4.25 1 145 LEU 6.59 3.42 1 146 GLU 3.26 2.17 1 147 LYS 4.10 2.10 1 148 HIS -1.00 1.38 1 150 LEU -1.49 -2.59 1 151 SER -3.94 -1.20 1 153 SER -2.24 -1.09 1 154 VAL -1.63 -1.21 1 155 VAL -4.00 -2.22 1 156 ARG 1.81 0.41 1 157 LEU -1.94 -1.17 1 158 GLU -2.54 0.45 1 159 LYS 0.80 1.14 1 160 VAL -4.95 -2.93 1 161 LEU 3.42 2.93 1 162 HIS -7.58 -3.44 1 163 LEU 3.09 3.93 1 164 LYS 6.53 2.14 1 165 THR 5.53 4.45 1 167 LEU -7.20 -2.00 1 168 ALA -4.13 -0.16 1 169 TYR 1.67 -0.07 1 170 LEU 0.40 -2.21 1 171 GLU 4.56 1.73 1 172 HIS 3.35 0.27 1 173 ASN -0.41 1.57 1 174 ASN -0.90 0.19 1 175 LEU -6.52 -2.68 1 176 LEU 0.28 -1.19 1 177 ALA -5.31 -1.72 1 178 ALA -7.74 -3.64 1 180 GLU 0.75 0.25 1 181 PHE 2.29 2.63 1 182 VAL 1.85 3.96 1 183 SER -1.01 -1.54 1 184 LYS 1.96 0.45 1 186 GLU 4.54 2.39 1 187 PHE -0.86 -2.17 1 188 GLN 4.13 2.85 1 189 ASP 0.97 0.26 1 190 PHE 0.83 0.59 1 191 ASN 1.21 -0.30 1 192 ILE 1.78 0.47 1 193 ILE 0.30 -1.73 1 194 GLU -0.19 -0.92 1 195 ILE -1.72 -3.73 1 197 GLU 4.00 3.28 1 198 GLU 3.44 1.78 1 199 GLU -2.01 -2.01 1 200 SER 5.63 4.56 1 201 TYR 2.12 1.75 1 202 ALA 1.98 -0.58 1 203 ALA 1.55 0.51 1 204 ASN -0.63 -0.57 1 206 ILE -5.05 -3.37 1 207 TRP -5.46 -0.97 1 208 VAL -3.69 0.22 1 209 ASN 4.84 1.47 1 210 GLU 6.67 2.22 1 211 ARG -1.74 -1.06 1 212 VAL -8.55 -1.60 1 213 ILE 0.27 -1.53 1 214 MET -6.60 -2.22 1 216 ALA -0.46 -1.02 1 218 TYR 0.57 0.51 1 220 ARG 5.51 3.50 1 221 THR 9.65 7.25 1 222 ARG 5.94 4.08 1 223 GLU 3.11 2.07 1 224 LYS 5.53 4.25 1 225 ILE 5.44 4.71 1 226 ALA 4.04 2.20 1 227 ARG 3.28 1.91 1 228 LEU 0.42 -0.32 1 230 TYR -1.09 -0.49 1 231 ARG -0.19 -0.37 1 232 VAL 0.21 -0.37 1 233 ILE -2.11 -0.64 1 234 GLU -4.35 -2.22 1 235 VAL -3.85 -2.81 1 236 ASP 1.20 -0.05 1 237 THR -0.01 -1.56 1 238 SER -0.14 3.81 1 239 GLU 3.24 1.45 1 240 TYR 3.60 2.48 1 241 ARG 4.90 3.06 1 242 LYS 3.89 3.37 1 243 ILE 1.59 -0.75 1 244 ASP 3.71 1.49 1 247 VAL 4.04 3.14 1 248 SER 8.00 3.58 1 250 MET -2.45 0.32 1 251 SER -2.34 0.11 1 252 LEU -2.66 -1.34 1 253 ARG -1.52 -1.91 1 254 PHE 3.71 1.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19743_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 5.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 9.64 _LACS_plot.Line_2_terminator_val_y_2 -3.13 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 HIS 5.57 2.04 0 63 PHE 1.36 -5.57 0 11 ALA -2.20 -0.20 1 12 ARG 6.20 -3.15 1 13 SER 1.67 -1.38 1 14 LEU 3.05 -0.01 1 15 VAL 2.04 -1.93 1 16 ASP 0.18 -0.02 1 18 LEU 1.46 -1.27 1 19 THR 0.50 -0.74 1 20 SER 0.59 -0.18 1 22 HIS 1.32 0.76 1 23 LEU 0.09 -0.53 1 25 LYS -0.12 -0.50 1 27 ASP -4.34 2.20 1 28 TYR 5.67 -0.81 1 29 ALA 4.57 -2.01 1 30 LYS 3.58 -1.66 1 31 ALA 5.46 -3.50 1 32 LEU 5.42 -1.89 1 33 GLU 4.33 -0.86 1 34 GLN 4.93 -2.13 1 36 ASN 3.96 -0.85 1 37 ALA 3.51 -1.41 1 38 TYR 4.07 -1.21 1 39 ILE 5.58 -4.62 1 40 GLU 3.58 -0.63 1 41 ALA 3.99 -1.65 1 42 LEU 4.09 -1.49 1 43 GLN 3.37 -1.53 1 44 THR 1.21 -0.68 1 46 ASP 3.89 -2.56 1 47 VAL -7.03 2.63 1 48 ASP -3.60 1.41 1 49 ILE -0.36 -0.26 1 50 THR 1.60 -0.57 1 51 LEU -2.25 -0.28 1 52 LEU 0.19 -1.27 1 55 ASP -3.68 2.21 1 56 GLU 0.89 -0.43 1 57 ARG 2.04 -1.19 1 58 PHE -0.24 -0.41 1 60 ASP -1.30 1.20 1 61 SER 3.75 -0.60 1 62 VAL 2.55 -2.03 1 64 VAL 1.97 -2.09 1 65 GLU 0.37 0.96 1 66 ASP 8.24 -1.27 1 68 VAL -0.30 -1.25 1 69 LEU -4.90 2.29 1 71 THR -4.69 2.80 1 72 SER 3.81 -0.89 1 73 ARG -2.51 1.89 1 75 ALA -4.51 1.33 1 76 ILE -2.96 1.35 1 77 ILE 2.17 -3.53 1 78 THR 2.65 -4.29 1 79 ARG 1.12 -0.61 1 82 ALA 0.05 -1.63 1 83 GLU 4.93 -0.99 1 84 SER 4.59 -1.75 1 85 ARG 1.75 -1.51 1 86 ARG 6.89 -2.28 1 88 GLU 0.79 0.55 1 89 THR 5.92 -3.65 1 90 GLU 1.95 -0.48 1 91 ILE 3.16 -2.11 1 92 ILE -3.78 2.37 1 93 GLU 5.41 -1.60 1 94 GLU 4.15 -1.21 1 95 THR 6.82 -1.89 1 96 VAL 7.56 -1.96 1 97 GLN 1.02 1.45 1 98 HIS 4.12 -0.03 1 99 PHE 0.88 1.54 1 100 TYR 0.64 -0.38 1 103 LYS -1.99 -0.28 1 104 VAL 0.46 -0.99 1 105 GLU -4.17 1.37 1 106 ARG -1.40 1.02 1 107 ILE -0.44 -3.45 1 108 GLU -5.57 2.69 1 109 ALA 2.24 -1.01 1 112 THR -3.22 0.85 1 113 VAL -7.19 5.24 1 114 GLU -3.41 0.89 1 115 ALA 5.03 -3.00 1 117 ASP 2.24 -0.45 1 118 ILE -0.66 -0.12 1 119 MET -5.65 4.44 1 120 MET -1.62 1.12 1 121 VAL -1.01 -1.28 1 123 ASP -1.05 0.33 1 124 HIS -4.13 3.29 1 125 PHE -1.84 -0.48 1 126 TYR -0.89 0.85 1 127 ILE -2.53 0.90 1 129 GLU -1.36 -0.04 1 130 SER -6.47 4.57 1 131 ALA 1.97 -1.02 1 132 ARG -1.02 -0.23 1 133 THR -0.28 -0.14 1 134 ASN -4.00 0.59 1 135 ALA 3.99 -1.51 1 136 GLU 3.77 -2.26 1 138 ALA 4.67 -1.94 1 139 ARG 5.03 -1.76 1 140 GLN 4.40 -0.53 1 141 MET 4.51 -3.43 1 142 ILE 7.96 -1.91 1 143 ALA 2.17 -0.37 1 144 ILE 5.45 -1.20 1 145 LEU 6.59 -3.17 1 146 GLU 3.26 -1.09 1 147 LYS 4.10 -2.00 1 148 HIS -1.00 2.38 1 150 LEU -1.49 -1.10 1 151 SER -3.94 2.74 1 153 SER -2.24 1.15 1 154 VAL -1.63 0.42 1 155 VAL -4.00 1.78 1 156 ARG 1.81 -1.40 1 157 LEU -1.94 0.77 1 158 GLU -2.54 2.99 1 159 LYS 0.80 0.34 1 160 VAL -4.95 2.02 1 161 LEU 3.42 -0.49 1 162 HIS -7.58 4.14 1 163 LEU 3.09 0.84 1 164 LYS 6.53 -4.39 1 165 THR 5.53 -1.08 1 167 LEU -7.20 5.20 1 168 ALA -4.13 3.97 1 169 TYR 1.67 -1.74 1 170 LEU 0.40 -2.61 1 171 GLU 4.56 -2.83 1 172 HIS 3.35 -3.08 1 173 ASN -0.41 1.98 1 174 ASN -0.90 1.09 1 175 LEU -6.52 3.84 1 176 LEU 0.28 -1.47 1 177 ALA -5.31 3.59 1 178 ALA -7.74 4.10 1 180 GLU 0.75 -0.50 1 181 PHE 2.29 0.34 1 182 VAL 1.85 2.11 1 183 SER -1.01 -0.53 1 184 LYS 1.96 -1.51 1 186 GLU 4.54 -2.15 1 187 PHE -0.86 -1.31 1 188 GLN 4.13 -1.28 1 189 ASP 0.97 -0.71 1 190 PHE 0.83 -0.24 1 191 ASN 1.21 -1.51 1 192 ILE 1.78 -1.31 1 193 ILE 0.30 -2.03 1 194 GLU -0.19 -0.73 1 195 ILE -1.72 -2.01 1 197 GLU 4.00 -0.72 1 198 GLU 3.44 -1.66 1 199 GLU -2.01 0.00 1 200 SER 5.63 -1.07 1 201 TYR 2.12 -0.37 1 202 ALA 1.98 -2.56 1 203 ALA 1.55 -1.04 1 204 ASN -0.63 0.06 1 206 ILE -5.05 1.68 1 207 TRP -5.46 4.49 1 208 VAL -3.69 3.91 1 209 ASN 4.84 -3.37 1 210 GLU 6.67 -4.45 1 211 ARG -1.74 0.68 1 212 VAL -8.55 6.95 1 213 ILE 0.27 -1.80 1 214 MET -6.60 4.38 1 216 ALA -0.46 -0.56 1 218 TYR 0.57 -0.06 1 220 ARG 5.51 -2.01 1 221 THR 9.65 -2.40 1 222 ARG 5.94 -1.86 1 223 GLU 3.11 -1.04 1 224 LYS 5.53 -1.28 1 225 ILE 5.44 -0.73 1 226 ALA 4.04 -1.84 1 227 ARG 3.28 -1.37 1 228 LEU 0.42 -0.74 1 230 TYR -1.09 0.60 1 231 ARG -0.19 -0.18 1 232 VAL 0.21 -0.58 1 233 ILE -2.11 1.47 1 234 GLU -4.35 2.13 1 235 VAL -3.85 1.04 1 236 ASP 1.20 -1.25 1 237 THR -0.01 -1.55 1 238 SER -0.14 3.95 1 239 GLU 3.24 -1.79 1 240 TYR 3.60 -1.12 1 241 ARG 4.90 -1.84 1 242 LYS 3.89 -0.52 1 243 ILE 1.59 -2.34 1 244 ASP 3.71 -2.22 1 247 VAL 4.04 -0.90 1 248 SER 8.00 -4.42 1 250 MET -2.45 2.77 1 251 SER -2.34 2.45 1 252 LEU -2.66 1.32 1 253 ARG -1.52 -0.39 1 254 PHE 3.71 -2.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19743_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 0.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 7.55 _LACS_plot.Line_2_terminator_val_y_2 -0.28 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 THR 1.21 3.12 0 27 ASP -4.34 0.09 1 31 ALA 5.46 0.37 1 32 LEU 5.42 -0.34 1 33 GLU 4.33 -0.20 1 42 LEU 4.09 0.14 1 47 VAL -7.03 0.21 1 50 THR 1.60 0.09 1 51 LEU -2.25 0.47 1 58 PHE -0.24 0.27 1 63 PHE 1.36 0.93 1 68 VAL -0.30 -0.77 1 69 LEU -4.90 0.29 1 82 ALA 0.05 0.57 1 91 ILE 3.16 0.38 1 92 ILE -3.78 0.48 1 96 VAL 7.56 -0.47 1 107 ILE -0.44 -0.01 1 114 GLU -3.41 0.18 1 115 ALA 5.03 0.00 1 121 VAL -1.01 -0.13 1 123 ASP -1.05 0.24 1 126 TYR -0.89 -0.81 1 127 ILE -2.53 0.66 1 138 ALA 4.67 -0.51 1 147 LYS 4.10 -0.28 1 154 VAL -1.63 1.34 1 155 VAL -4.00 0.24 1 156 ARG 1.81 0.32 1 159 LYS 0.80 0.24 1 162 HIS -7.58 1.45 1 167 LEU -7.20 0.70 1 170 LEU 0.40 0.08 1 175 LEU -6.52 0.67 1 181 PHE 2.29 -0.20 1 182 VAL 1.85 0.81 1 184 LYS 1.96 -0.04 1 194 GLU -0.19 0.14 1 195 ILE -1.72 -0.05 1 203 ALA 1.55 -0.52 1 204 ASN -0.63 1.86 1 211 ARG -1.74 0.84 1 213 ILE 0.27 0.47 1 218 TYR 0.57 -0.16 1 220 ARG 5.51 -0.12 1 226 ALA 4.04 -0.03 1 228 LEU 0.42 -0.02 1 230 TYR -1.09 0.03 1 231 ARG -0.19 0.18 1 232 VAL 0.21 0.51 1 233 ILE -2.11 0.07 1 234 GLU -4.35 0.77 1 240 TYR 3.60 -0.30 1 241 ARG 4.90 0.12 1 242 LYS 3.89 -0.39 1 244 ASP 3.71 -0.21 1 253 ARG -1.52 0.44 1 254 PHE 3.71 0.04 1 stop_ save_