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 bmr27619_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.39 _LACS_plot.Line_1_terminator_val_y_1 -3.15 _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 -1.92 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 6.42 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 HIS -6.35 2.42 0 11 SER 1.07 -0.96 1 12 ILE -0.39 -1.38 1 15 GLU 4.35 2.29 1 16 MET 4.86 4.22 1 17 PHE 5.77 2.98 1 18 ARG 4.08 2.17 1 19 ALA 4.06 2.54 1 20 ILE -1.06 -1.34 1 21 SER 3.62 2.84 1 22 ASP 0.73 0.30 1 23 TYR -4.36 -1.56 1 25 ILE 4.59 2.25 1 26 THR 6.79 3.02 1 27 SER 3.29 2.43 1 28 ARG 5.04 2.87 1 29 ALA 3.69 2.47 1 30 VAL 4.48 2.47 1 31 LYS 4.74 3.04 1 32 GLN -0.12 0.03 1 34 LEU 1.05 1.04 1 35 LEU -6.27 -2.87 1 36 THR -0.12 0.21 1 37 LEU -3.63 -2.11 1 40 TRP 0.51 -0.77 1 41 ASN -3.51 -2.13 1 43 ARG 4.02 2.31 1 44 VAL 5.10 0.41 1 45 TYR 1.82 0.27 1 46 THR -0.42 -0.41 1 47 GLU -0.08 -0.12 1 48 ASP 4.33 4.21 1 49 ARG 5.14 2.21 1 50 HIS 0.56 3.17 1 51 GLN -2.40 0.10 1 52 THR -0.20 -0.34 1 53 VAL 0.77 -0.12 1 54 ASP 0.05 -0.11 1 55 ASP 0.28 -0.25 1 56 ARG -0.29 -2.03 1 64 MET 0.45 -0.15 1 65 VAL 0.81 -0.11 1 66 MET 0.23 -0.41 1 68 ILE 3.18 1.88 1 72 GLU 3.84 2.74 1 74 ALA 2.92 1.57 1 75 LEU 3.41 2.09 1 76 ALA 4.43 2.16 1 77 ASP 4.22 2.20 1 78 ALA 4.82 1.91 1 79 ARG 4.95 3.31 1 80 GLN 4.34 2.49 1 81 ALA 1.49 1.42 1 82 ALA 3.41 -0.08 1 85 ARG -0.73 -0.72 1 86 LYS 2.00 -0.44 1 87 ALA -2.74 -2.33 1 88 LYS -1.90 -1.19 1 89 VAL 1.54 -0.34 1 90 ILE -4.51 -2.98 1 91 TYR -6.13 -3.32 1 92 LEU 1.11 -2.47 1 93 SER -3.84 -1.76 1 95 GLN 0.72 -0.59 1 97 ARG 1.47 0.04 1 98 GLN 1.75 0.44 1 99 LEU 2.18 1.69 1 100 THR -6.39 -2.67 1 101 GLN 5.80 3.00 1 104 VAL 7.19 4.24 1 105 ARG 4.94 3.46 1 106 GLU 3.22 2.48 1 107 LEU 3.61 2.41 1 108 ALA 1.60 0.36 1 109 GLU 0.20 -0.36 1 110 GLU 0.01 -1.30 1 111 GLU 0.15 0.60 1 112 ALA -4.42 -2.08 1 113 LEU -5.96 -2.39 1 114 ILE -1.26 -1.34 1 115 LEU -2.37 -2.86 1 116 ILE 1.40 -0.19 1 117 ALA -0.87 -1.53 1 119 ARG 0.16 -0.75 1 123 ILE 1.62 0.08 1 124 ASP -1.84 -1.25 1 125 GLU 3.51 2.78 1 126 ARG 4.84 2.43 1 127 PHE 4.42 3.51 1 128 ILE 4.51 2.26 1 129 GLU 3.07 2.22 1 130 GLU 1.54 1.42 1 131 HIS -2.02 1.86 1 132 VAL 0.76 -0.20 1 133 ASP 1.96 3.03 1 134 GLU -6.36 -1.65 1 135 GLU -4.47 -1.91 1 137 SER -5.25 -3.25 1 138 ILE 3.76 1.37 1 140 ASP -0.14 -1.26 1 141 TYR -4.26 -4.24 1 142 VAL 1.73 0.86 1 143 LEU -4.28 -2.86 1 144 SER 2.96 1.86 1 147 GLU 7.94 6.55 1 148 LEU 9.73 5.79 1 150 ALA 4.53 2.60 1 152 VAL 6.16 4.13 1 153 LEU 5.10 3.86 1 154 VAL 7.16 4.81 1 155 ASP 3.02 4.47 1 156 ALA 4.20 2.42 1 157 VAL 4.39 2.68 1 158 THR 8.77 5.51 1 159 ARG 4.14 2.18 1 160 LEU 1.07 -0.87 1 161 LEU 2.14 0.22 1 164 ALA 1.72 1.37 1 165 LEU 0.43 -0.72 1 168 ALA 0.27 -0.17 1 169 ASP 0.28 0.09 1 170 SER -0.03 -0.16 1 171 ALA 0.45 -0.13 1 172 GLU 0.29 -0.11 1 173 GLU 0.20 -0.13 1 174 ASP 0.24 0.05 1 175 SER 0.57 0.29 1 176 PHE 1.92 0.69 1 177 THR 1.25 -0.30 1 178 ASP 1.65 1.10 1 180 LEU -4.37 -2.59 1 181 LEU 1.82 -0.60 1 182 ASP -1.57 -1.18 1 186 TYR 1.57 1.72 1 190 GLU 0.87 0.10 1 191 VAL 0.77 -0.11 1 192 TYR 0.35 -0.42 1 194 ASP 2.55 1.36 1 195 LYS 0.04 -0.91 1 196 ARG -1.67 -1.45 1 197 VAL -0.47 -1.91 1 199 GLU 3.90 2.67 1 200 VAL 4.95 1.67 1 201 LEU 3.40 0.82 1 202 LEU 1.16 -0.91 1 203 SER 0.15 1.35 1 205 ASN -0.10 -1.43 1 207 GLU -1.37 -2.72 1 208 HIS 4.63 8.03 1 213 ARG 3.09 4.89 1 214 LEU 3.14 2.08 1 215 GLN 4.35 4.04 1 216 GLN 3.52 1.58 1 217 ALA 3.74 2.82 1 218 LEU 3.95 3.04 1 220 ARG 4.41 2.86 1 223 GLU 1.84 2.43 1 224 ARG 0.11 1.46 1 225 ARG -3.82 -5.03 1 226 ALA 5.31 3.06 1 227 ASP 3.66 1.55 1 228 LEU 4.21 1.64 1 229 LEU 2.63 0.67 1 230 ASP 2.93 2.23 1 233 SER 0.11 -0.94 1 234 LEU -0.48 -0.73 1 235 SER -2.74 -1.50 1 237 GLU 2.61 2.27 1 238 GLU 2.91 2.36 1 239 GLN 5.24 3.52 1 240 LYS 4.52 2.97 1 241 LEU 3.20 2.21 1 242 LEU 4.04 2.20 1 243 ALA 4.74 2.48 1 244 GLU 2.82 2.08 1 245 TYR 4.63 3.30 1 246 ILE 5.19 4.10 1 247 ARG 4.15 2.52 1 248 GLN 3.21 1.34 1 249 ARG 2.49 0.80 1 250 ASP 1.22 0.71 1 251 ASP 2.09 1.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27619_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.39 _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 -1.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.08 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 -3.31 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 HIS -6.35 8.77 0 11 SER 1.07 -2.03 1 12 ILE -0.39 -0.99 1 15 GLU 4.35 -2.06 1 16 MET 4.86 -0.64 1 17 PHE 5.77 -2.79 1 18 ARG 4.08 -1.91 1 19 ALA 4.06 -1.52 1 20 ILE -1.06 -0.28 1 21 SER 3.62 -0.78 1 22 ASP 0.73 -0.43 1 23 TYR -4.36 2.80 1 25 ILE 4.59 -2.34 1 26 THR 6.79 -3.77 1 27 SER 3.29 -0.86 1 28 ARG 5.04 -2.17 1 29 ALA 3.69 -1.22 1 30 VAL 4.48 -2.01 1 31 LYS 4.74 -1.70 1 32 GLN -0.12 0.15 1 34 LEU 1.05 -0.01 1 35 LEU -6.27 3.40 1 36 THR -0.12 0.33 1 37 LEU -3.63 1.52 1 40 TRP 0.51 -1.28 1 41 ASN -3.51 1.38 1 43 ARG 4.02 -1.71 1 44 VAL 5.10 -4.69 1 45 TYR 1.82 -1.55 1 46 THR -0.42 0.01 1 47 GLU -0.08 -0.04 1 48 ASP 4.33 -0.12 1 49 ARG 5.14 -2.93 1 50 HIS 0.56 2.61 1 51 GLN -2.40 2.50 1 52 THR -0.20 -0.14 1 53 VAL 0.77 -0.89 1 54 ASP 0.05 -0.16 1 55 ASP 0.28 -0.53 1 56 ARG -0.29 -1.74 1 64 MET 0.45 -0.60 1 65 VAL 0.81 -0.92 1 66 MET 0.23 -0.64 1 68 ILE 3.18 -1.30 1 72 GLU 3.84 -1.10 1 74 ALA 2.92 -1.35 1 75 LEU 3.41 -1.32 1 76 ALA 4.43 -2.27 1 77 ASP 4.22 -2.02 1 78 ALA 4.82 -2.91 1 79 ARG 4.95 -1.64 1 80 GLN 4.34 -1.85 1 81 ALA 1.49 -0.07 1 82 ALA 3.41 -3.49 1 85 ARG -0.73 0.01 1 86 LYS 2.00 -2.44 1 87 ALA -2.74 0.41 1 88 LYS -1.90 0.71 1 89 VAL 1.54 -1.88 1 90 ILE -4.51 1.53 1 91 TYR -6.13 2.81 1 92 LEU 1.11 -3.58 1 93 SER -3.84 2.08 1 95 GLN 0.72 -1.31 1 97 ARG 1.47 -1.43 1 98 GLN 1.75 -1.31 1 99 LEU 2.18 -0.49 1 100 THR -6.39 3.72 1 101 GLN 5.80 -2.80 1 104 VAL 7.19 -2.95 1 105 ARG 4.94 -1.48 1 106 GLU 3.22 -0.74 1 107 LEU 3.61 -1.20 1 108 ALA 1.60 -1.24 1 109 GLU 0.20 -0.56 1 110 GLU 0.01 -1.31 1 111 GLU 0.15 0.45 1 112 ALA -4.42 2.34 1 113 LEU -5.96 3.57 1 114 ILE -1.26 -0.08 1 115 LEU -2.37 -0.49 1 116 ILE 1.40 -1.59 1 117 ALA -0.87 -0.66 1 119 ARG 0.16 -0.91 1 123 ILE 1.62 -1.54 1 124 ASP -1.84 0.59 1 125 GLU 3.51 -0.73 1 126 ARG 4.84 -2.41 1 127 PHE 4.42 -0.91 1 128 ILE 4.51 -2.25 1 129 GLU 3.07 -0.85 1 130 GLU 1.54 -0.12 1 131 HIS -2.02 3.88 1 132 VAL 0.76 -0.96 1 133 ASP 1.96 1.07 1 134 GLU -6.36 4.71 1 135 GLU -4.47 2.56 1 137 SER -5.25 2.00 1 138 ILE 3.76 -2.39 1 140 ASP -0.14 -1.12 1 141 TYR -4.26 0.02 1 142 VAL 1.73 -0.87 1 143 LEU -4.28 1.42 1 144 SER 2.96 -1.10 1 147 GLU 7.94 -1.39 1 148 LEU 9.73 -3.94 1 150 ALA 4.53 -1.93 1 152 VAL 6.16 -2.03 1 153 LEU 5.10 -1.24 1 154 VAL 7.16 -2.35 1 155 ASP 3.02 1.45 1 156 ALA 4.20 -1.78 1 157 VAL 4.39 -1.71 1 158 THR 8.77 -3.26 1 159 ARG 4.14 -1.96 1 160 LEU 1.07 -1.94 1 161 LEU 2.14 -1.92 1 164 ALA 1.72 -0.35 1 165 LEU 0.43 -1.15 1 168 ALA 0.27 -0.44 1 169 ASP 0.28 -0.19 1 170 SER -0.03 -0.13 1 171 ALA 0.45 -0.58 1 172 GLU 0.29 -0.40 1 173 GLU 0.20 -0.33 1 174 ASP 0.24 -0.19 1 175 SER 0.57 -0.28 1 176 PHE 1.92 -1.23 1 177 THR 1.25 -1.55 1 178 ASP 1.65 -0.55 1 180 LEU -4.37 1.78 1 181 LEU 1.82 -2.42 1 182 ASP -1.57 0.39 1 186 TYR 1.57 0.15 1 190 GLU 0.87 -0.77 1 191 VAL 0.77 -0.88 1 192 TYR 0.35 -0.77 1 194 ASP 2.55 -1.19 1 195 LYS 0.04 -0.95 1 196 ARG -1.67 0.22 1 197 VAL -0.47 -1.44 1 199 GLU 3.90 -1.23 1 200 VAL 4.95 -3.28 1 201 LEU 3.40 -2.58 1 202 LEU 1.16 -2.07 1 203 SER 0.15 1.20 1 205 ASN -0.10 -1.33 1 207 GLU -1.37 -1.35 1 208 HIS 4.63 3.40 1 213 ARG 3.09 1.80 1 214 LEU 3.14 -1.06 1 215 GLN 4.35 -0.31 1 216 GLN 3.52 -1.94 1 217 ALA 3.74 -0.92 1 218 LEU 3.95 -0.91 1 220 ARG 4.41 -1.55 1 223 GLU 1.84 0.59 1 224 ARG 0.11 1.35 1 225 ARG -3.82 -1.21 1 226 ALA 5.31 -2.25 1 227 ASP 3.66 -2.11 1 228 LEU 4.21 -2.57 1 229 LEU 2.63 -1.96 1 230 ASP 2.93 -0.70 1 233 SER 0.11 -1.05 1 234 LEU -0.48 -0.25 1 235 SER -2.74 1.24 1 237 GLU 2.61 -0.34 1 238 GLU 2.91 -0.55 1 239 GLN 5.24 -1.72 1 240 LYS 4.52 -1.55 1 241 LEU 3.20 -0.99 1 242 LEU 4.04 -1.84 1 243 ALA 4.74 -2.26 1 244 GLU 2.82 -0.74 1 245 TYR 4.63 -1.33 1 246 ILE 5.19 -1.09 1 247 ARG 4.15 -1.63 1 248 GLN 3.21 -1.87 1 249 ARG 2.49 -1.69 1 250 ASP 1.22 -0.51 1 251 ASP 2.09 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27619_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.36 _LACS_plot.Line_1_terminator_val_y_1 -2.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _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 9.73 _LACS_plot.Line_2_terminator_val_y_2 3.10 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 HIS -6.35 1.60 0 16 MET 4.86 1.07 1 17 PHE 5.77 0.60 1 18 ARG 4.08 1.35 1 19 ALA 4.06 -0.52 1 20 ILE -1.06 1.16 1 21 SER 3.62 1.59 1 22 ASP 0.73 -1.50 1 23 TYR -4.36 -0.35 1 25 ILE 4.59 2.41 1 26 THR 6.79 1.61 1 27 SER 3.29 2.77 1 28 ARG 5.04 1.96 1 29 ALA 3.69 2.88 1 30 VAL 4.48 4.85 1 31 LYS 4.74 2.33 1 32 GLN -0.12 0.36 1 34 LEU 1.05 -2.99 1 35 LEU -6.27 -2.28 1 36 THR -0.12 -3.54 1 37 LEU -3.63 -2.59 1 41 ASN -3.51 1.91 1 43 ARG 4.02 2.32 1 44 VAL 5.10 0.08 1 45 TYR 1.82 -0.16 1 46 THR -0.42 -0.18 1 48 ASP 4.33 1.90 1 49 ARG 5.14 1.17 1 53 VAL 0.77 -0.49 1 54 ASP 0.05 -0.56 1 55 ASP 0.28 -0.27 1 56 ARG -0.29 -1.69 1 64 MET 0.45 -0.23 1 66 MET 0.23 -0.46 1 72 GLU 3.84 3.27 1 74 ALA 2.92 0.82 1 75 LEU 3.41 0.24 1 76 ALA 4.43 3.35 1 77 ASP 4.22 2.23 1 78 ALA 4.82 0.92 1 79 ARG 4.95 3.81 1 80 GLN 4.34 3.02 1 81 ALA 1.49 0.52 1 82 ALA 3.41 1.93 1 85 ARG -0.73 -0.75 1 86 LYS 2.00 -1.21 1 87 ALA -2.74 -0.92 1 88 LYS -1.90 -1.69 1 89 VAL 1.54 -0.23 1 90 ILE -4.51 -1.72 1 95 GLN 0.72 0.03 1 97 ARG 1.47 -0.20 1 98 GLN 1.75 1.18 1 99 LEU 2.18 -3.13 1 101 GLN 5.80 2.04 1 104 VAL 7.19 1.21 1 105 ARG 4.94 2.75 1 106 GLU 3.22 4.12 1 107 LEU 3.61 0.72 1 108 ALA 1.60 -0.17 1 109 GLU 0.20 1.57 1 110 GLU 0.01 -0.60 1 111 GLU 0.15 1.12 1 112 ALA -4.42 -2.74 1 113 LEU -5.96 -1.81 1 114 ILE -1.26 -2.26 1 117 ALA -0.87 -2.25 1 123 ILE 1.62 -2.05 1 125 GLU 3.51 2.07 1 126 ARG 4.84 1.99 1 127 PHE 4.42 1.76 1 129 GLU 3.07 2.12 1 130 GLU 1.54 1.62 1 131 HIS -2.02 1.38 1 132 VAL 0.76 -1.10 1 134 GLU -6.36 -2.72 1 135 GLU -4.47 -0.43 1 137 SER -5.25 1.28 1 138 ILE 3.76 -0.54 1 140 ASP -0.14 -1.36 1 142 VAL 1.73 -1.10 1 143 LEU -4.28 0.83 1 147 GLU 7.94 1.36 1 148 LEU 9.73 1.74 1 150 ALA 4.53 0.68 1 152 VAL 6.16 -0.13 1 153 LEU 5.10 0.55 1 154 VAL 7.16 2.51 1 155 ASP 3.02 0.67 1 156 ALA 4.20 2.90 1 157 VAL 4.39 2.02 1 158 THR 8.77 1.75 1 159 ARG 4.14 0.08 1 160 LEU 1.07 0.55 1 164 ALA 1.72 0.26 1 169 ASP 0.28 0.08 1 170 SER -0.03 -0.13 1 171 ALA 0.45 0.21 1 172 GLU 0.29 0.27 1 173 GLU 0.20 -0.13 1 174 ASP 0.24 0.25 1 175 SER 0.57 0.79 1 176 PHE 1.92 0.51 1 177 THR 1.25 -0.44 1 180 LEU -4.37 0.29 1 186 TYR 1.57 1.59 1 190 GLU 0.87 -0.01 1 191 VAL 0.77 -1.37 1 192 TYR 0.35 2.36 1 195 LYS 0.04 -0.73 1 196 ARG -1.67 0.30 1 199 GLU 3.90 2.35 1 200 VAL 4.95 1.01 1 203 SER 0.15 1.31 1 215 GLN 4.35 1.47 1 217 ALA 3.74 3.85 1 218 LEU 3.95 0.68 1 220 ARG 4.41 2.54 1 226 ALA 5.31 1.91 1 227 ASP 3.66 2.73 1 228 LEU 4.21 2.39 1 238 GLU 2.91 1.95 1 239 GLN 5.24 3.42 1 240 LYS 4.52 2.94 1 241 LEU 3.20 3.00 1 242 LEU 4.04 -0.45 1 243 ALA 4.74 3.19 1 244 GLU 2.82 1.10 1 245 TYR 4.63 2.04 1 246 ILE 5.19 2.22 1 247 ARG 4.15 2.28 1 248 GLN 3.21 1.51 1 249 ARG 2.49 0.88 1 stop_ save_