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 bmr25224_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.66 _LACS_plot.Line_2_terminator_val_x_2 6.05 _LACS_plot.Line_2_terminator_val_y_2 4.73 _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 210 ASN -0.13 3.82 0 10 LEU -0.13 0.02 1 11 LEU 0.02 0.26 1 15 SER -0.41 -0.05 1 16 VAL -1.47 -1.37 1 17 PHE -4.21 -1.06 1 18 LEU -2.16 -1.79 1 19 PHE -3.39 -2.44 1 22 LYS 4.71 2.89 1 24 LYS 5.41 4.68 1 25 ASP 1.25 2.56 1 26 THR 3.51 2.22 1 27 LEU -0.07 -0.31 1 28 MET -3.49 -0.60 1 30 SER 0.18 0.33 1 31 ARG 0.71 -0.86 1 32 THR -2.51 -2.27 1 34 GLU -1.13 -2.08 1 35 VAL 1.91 1.26 1 36 THR 0.39 1.16 1 38 VAL 0.75 0.06 1 39 VAL -3.26 -1.63 1 41 ASP -1.17 0.45 1 42 VAL -0.80 0.19 1 43 SER 1.18 -0.10 1 44 HIS -0.08 0.26 1 45 GLU 1.98 1.77 1 48 GLU -0.90 -0.79 1 49 VAL 1.97 1.12 1 50 LYS 2.27 1.40 1 51 PHE 0.39 -0.44 1 52 ASN 1.03 0.79 1 53 TRP -5.93 -1.40 1 54 TYR -3.95 -1.75 1 55 VAL -0.99 -0.63 1 56 ASP 0.14 1.58 1 58 VAL 0.07 0.34 1 59 GLU -2.68 0.88 1 60 VAL -0.12 -0.08 1 62 ASN -2.90 -0.04 1 63 ALA -0.09 -0.53 1 64 LYS -2.71 -1.18 1 68 ARG 4.79 4.83 1 69 GLU -3.12 -2.68 1 70 GLU 4.49 4.90 1 74 SER -1.26 1.55 1 75 THR -6.61 -2.20 1 76 TYR -0.63 -0.46 1 77 ARG -0.30 -1.50 1 78 VAL -0.44 -0.19 1 79 VAL -2.16 -1.04 1 80 SER -3.81 -2.23 1 81 VAL -3.86 -1.44 1 82 LEU -2.42 -2.16 1 84 VAL 3.59 0.92 1 85 LEU 3.33 -0.28 1 87 GLN 3.88 2.99 1 88 ASP 3.57 3.62 1 89 TRP 0.14 0.05 1 91 ASN 0.63 0.18 1 93 LYS 3.21 2.29 1 94 GLU -0.15 -0.98 1 95 TYR 1.54 0.69 1 98 LYS 1.30 -1.81 1 99 VAL -0.03 -0.73 1 100 SER -1.62 -1.31 1 101 ASN 1.00 1.94 1 103 ALA 0.21 0.55 1 104 LEU 4.91 4.50 1 106 ALA -2.49 -0.55 1 108 ILE -0.35 -0.47 1 110 LYS -1.51 -2.35 1 111 THR -3.43 -1.27 1 113 SER -3.77 -2.72 1 114 LYS 1.88 0.58 1 115 ALA 0.72 1.08 1 116 LYS -1.26 -0.06 1 124 VAL -1.12 -0.63 1 125 TYR -1.20 -2.09 1 126 THR -3.28 -3.06 1 127 LEU 2.01 2.48 1 130 SER -0.64 -0.46 1 131 ARG 4.68 3.75 1 132 ASP 0.88 2.44 1 133 GLU -2.73 -0.46 1 134 LEU 3.24 1.83 1 135 THR 1.23 0.97 1 136 LYS -0.96 -1.03 1 137 ASN 5.00 4.87 1 138 GLN -3.49 -0.77 1 140 SER -0.36 -0.47 1 141 LEU 2.02 -1.23 1 142 THR 1.56 1.32 1 144 LEU -1.19 -1.21 1 148 PHE -5.72 -2.97 1 149 TYR 0.22 1.26 1 152 ASP 5.56 3.88 1 153 ILE -2.73 -0.45 1 154 ALA -0.84 -1.35 1 155 VAL 1.62 -1.05 1 156 GLU -5.03 -1.64 1 157 TRP -5.14 -1.50 1 158 GLU -1.65 -1.48 1 159 SER -1.28 -0.17 1 160 ASN 2.38 1.31 1 164 GLU -3.63 -1.29 1 165 ASN -0.87 1.28 1 166 ASN 0.37 -0.62 1 167 TYR -7.50 -2.99 1 168 LYS 3.45 0.58 1 170 THR 2.94 2.06 1 173 VAL -0.79 -1.04 1 174 LEU 0.73 0.90 1 175 ASP -4.86 -2.45 1 176 SER 2.84 2.42 1 177 ASP -0.43 -1.18 1 179 SER -2.23 -1.02 1 180 PHE 0.90 0.11 1 181 PHE -1.45 -1.66 1 182 LEU 2.81 -0.24 1 183 TYR -4.60 -1.00 1 184 SER -2.80 -0.83 1 186 LEU -1.51 -1.23 1 187 THR -1.58 1.63 1 188 VAL 3.86 1.11 1 190 LYS 6.05 4.68 1 191 SER 2.54 3.44 1 193 TRP 1.03 1.89 1 194 GLN 2.76 2.65 1 195 GLN 1.52 0.98 1 197 ASN 0.34 1.65 1 198 VAL 2.33 0.09 1 199 PHE -3.45 -0.28 1 200 SER -2.22 -0.50 1 202 SER -0.44 -0.81 1 203 VAL -2.93 -1.47 1 204 MET -2.21 -0.75 1 205 HIS 1.83 3.17 1 206 GLU -1.64 1.86 1 207 ALA -0.15 -0.12 1 208 LEU 0.07 -0.13 1 211 HIS -2.88 0.14 1 212 TYR 1.06 1.04 1 214 GLN -0.80 2.87 1 215 LYS -0.78 -1.96 1 216 SER -2.34 0.09 1 217 LEU -2.95 0.62 1 218 SER -2.89 -0.01 1 219 LEU 0.96 0.64 1 220 SER -1.00 -0.24 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25224_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 4.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 6.05 _LACS_plot.Line_2_terminator_val_y_2 -1.32 _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 210 ASN -0.13 3.95 0 10 LEU -0.13 0.15 1 11 LEU 0.02 0.24 1 15 SER -0.41 0.36 1 16 VAL -1.47 0.10 1 17 PHE -4.21 3.15 1 18 LEU -2.16 0.37 1 19 PHE -3.39 0.95 1 22 LYS 4.71 -1.82 1 24 LYS 5.41 -0.73 1 25 ASP 1.25 1.31 1 26 THR 3.51 -1.29 1 27 LEU -0.07 -0.24 1 28 MET -3.49 2.89 1 30 SER 0.18 0.15 1 31 ARG 0.71 -1.57 1 32 THR -2.51 0.24 1 34 GLU -1.13 -0.95 1 35 VAL 1.91 -0.65 1 36 THR 0.39 0.77 1 38 VAL 0.75 -0.69 1 39 VAL -3.26 1.63 1 41 ASP -1.17 1.62 1 42 VAL -0.80 0.99 1 43 SER 1.18 -1.28 1 44 HIS -0.08 0.34 1 45 GLU 1.98 -0.21 1 48 GLU -0.90 0.11 1 49 VAL 1.97 -0.85 1 50 LYS 2.27 -0.87 1 51 PHE 0.39 -0.83 1 52 ASN 1.03 -0.24 1 53 TRP -5.93 4.53 1 54 TYR -3.95 2.20 1 55 VAL -0.99 0.36 1 56 ASP 0.14 1.44 1 58 VAL 0.07 0.27 1 59 GLU -2.68 3.56 1 60 VAL -0.12 0.04 1 62 ASN -2.90 2.86 1 63 ALA -0.09 -0.44 1 64 LYS -2.71 1.53 1 68 ARG 4.79 0.04 1 69 GLU -3.12 0.44 1 70 GLU 4.49 0.41 1 74 SER -1.26 2.81 1 75 THR -6.61 4.41 1 76 TYR -0.63 0.17 1 77 ARG -0.30 -1.20 1 78 VAL -0.44 0.25 1 79 VAL -2.16 1.12 1 80 SER -3.81 1.58 1 81 VAL -3.86 2.42 1 82 LEU -2.42 0.26 1 84 VAL 3.59 -2.67 1 85 LEU 3.33 -3.61 1 87 GLN 3.88 -0.89 1 88 ASP 3.57 0.05 1 89 TRP 0.14 -0.09 1 91 ASN 0.63 -0.45 1 93 LYS 3.21 -0.92 1 94 GLU -0.15 -0.83 1 95 TYR 1.54 -0.85 1 98 LYS 1.30 -3.11 1 99 VAL -0.03 -0.70 1 100 SER -1.62 0.31 1 101 ASN 1.00 0.94 1 103 ALA 0.21 0.34 1 104 LEU 4.91 -0.41 1 106 ALA -2.49 1.94 1 108 ILE -0.35 -0.12 1 110 LYS -1.51 -0.84 1 111 THR -3.43 2.16 1 113 SER -3.77 1.05 1 114 LYS 1.88 -1.30 1 115 ALA 0.72 0.36 1 116 LYS -1.26 1.20 1 124 VAL -1.12 0.49 1 125 TYR -1.20 -0.89 1 126 THR -3.28 0.22 1 127 LEU 2.01 0.47 1 130 SER -0.64 0.18 1 131 ARG 4.68 -0.93 1 132 ASP 0.88 1.56 1 133 GLU -2.73 2.27 1 134 LEU 3.24 -1.41 1 135 THR 1.23 -0.26 1 136 LYS -0.96 -0.07 1 137 ASN 5.00 -0.13 1 138 GLN -3.49 2.72 1 140 SER -0.36 -0.11 1 141 LEU 2.02 -3.25 1 142 THR 1.56 -0.24 1 144 LEU -1.19 -0.02 1 148 PHE -5.72 2.75 1 149 TYR 0.22 1.04 1 152 ASP 5.56 -1.68 1 153 ILE -2.73 2.28 1 154 ALA -0.84 -0.51 1 155 VAL 1.62 -2.67 1 156 GLU -5.03 3.39 1 157 TRP -5.14 3.64 1 158 GLU -1.65 0.17 1 159 SER -1.28 1.11 1 160 ASN 2.38 -1.07 1 164 GLU -3.63 2.34 1 165 ASN -0.87 2.15 1 166 ASN 0.37 -0.99 1 167 TYR -7.50 4.51 1 168 LYS 3.45 -2.87 1 170 THR 2.94 -0.88 1 173 VAL -0.79 -0.25 1 174 LEU 0.73 0.17 1 175 ASP -4.86 2.41 1 176 SER 2.84 -0.42 1 177 ASP -0.43 -0.75 1 179 SER -2.23 1.21 1 180 PHE 0.90 -0.79 1 181 PHE -1.45 -0.21 1 182 LEU 2.81 -3.05 1 183 TYR -4.60 3.60 1 184 SER -2.80 1.97 1 186 LEU -1.51 0.28 1 187 THR -1.58 3.21 1 188 VAL 3.86 -2.75 1 190 LYS 6.05 -1.37 1 191 SER 2.54 0.90 1 193 TRP 1.03 0.86 1 194 GLN 2.76 -0.11 1 195 GLN 1.52 -0.54 1 197 ASN 0.34 1.31 1 198 VAL 2.33 -2.24 1 199 PHE -3.45 3.17 1 200 SER -2.22 1.72 1 202 SER -0.44 -0.37 1 203 VAL -2.93 1.46 1 204 MET -2.21 1.46 1 205 HIS 1.83 1.34 1 206 GLU -1.64 3.50 1 207 ALA -0.15 0.03 1 208 LEU 0.07 -0.20 1 211 HIS -2.88 3.02 1 212 TYR 1.06 -0.02 1 214 GLN -0.80 3.67 1 215 LYS -0.78 -1.18 1 216 SER -2.34 2.43 1 217 LEU -2.95 3.57 1 218 SER -2.89 2.88 1 219 LEU 0.96 -0.32 1 220 SER -1.00 0.76 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25224_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.50 _LACS_plot.Line_1_terminator_val_y_1 -1.62 _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 -0.65 _LACS_plot.Line_2_terminator_val_x_2 6.05 _LACS_plot.Line_2_terminator_val_y_2 0.70 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 176 SER 2.84 4.08 0 152 ASP 5.56 -3.10 0 10 LEU -0.13 -1.22 1 11 LEU 0.02 -0.44 1 15 SER -0.41 1.08 1 16 VAL -1.47 -2.00 1 17 PHE -4.21 -1.58 1 18 LEU -2.16 -1.67 1 19 PHE -3.39 -0.77 1 22 LYS 4.71 1.77 1 24 LYS 5.41 2.43 1 25 ASP 1.25 0.98 1 26 THR 3.51 1.47 1 30 SER 0.18 0.53 1 31 ARG 0.71 -1.59 1 32 THR -2.51 0.94 1 34 GLU -1.13 -0.11 1 35 VAL 1.91 0.89 1 36 THR 0.39 -0.69 1 38 VAL 0.75 -0.66 1 39 VAL -3.26 -2.50 1 41 ASP -1.17 0.23 1 42 VAL -0.80 0.08 1 43 SER 1.18 1.72 1 44 HIS -0.08 2.37 1 45 GLU 1.98 1.10 1 50 LYS 2.27 -0.64 1 51 PHE 0.39 -0.09 1 52 ASN 1.03 1.40 1 53 TRP -5.93 -0.91 1 54 TYR -3.95 -0.23 1 55 VAL -0.99 -0.98 1 56 ASP 0.14 0.70 1 58 VAL 0.07 -1.19 1 59 GLU -2.68 -1.71 1 62 ASN -2.90 -0.10 1 64 LYS -2.71 0.54 1 68 ARG 4.79 -1.66 1 69 GLU -3.12 -1.43 1 70 GLU 4.49 -1.87 1 74 SER -1.26 -0.19 1 75 THR -6.61 -1.23 1 76 TYR -0.63 -2.76 1 78 VAL -0.44 -0.71 1 79 VAL -2.16 -2.52 1 80 SER -3.81 -0.65 1 81 VAL -3.86 -2.37 1 82 LEU -2.42 -2.35 1 85 LEU 3.33 -2.54 1 87 GLN 3.88 1.51 1 88 ASP 3.57 1.54 1 89 TRP 0.14 0.67 1 91 ASN 0.63 2.99 1 93 LYS 3.21 -1.15 1 94 GLU -0.15 0.52 1 95 TYR 1.54 -0.13 1 98 LYS 1.30 -0.89 1 99 VAL -0.03 -1.51 1 100 SER -1.62 -0.13 1 101 ASN 1.00 1.16 1 103 ALA 0.21 0.00 1 104 LEU 4.91 1.97 1 106 ALA -2.49 0.32 1 108 ILE -0.35 0.29 1 111 THR -3.43 -0.13 1 113 SER -3.77 -2.57 1 114 LYS 1.88 0.40 1 115 ALA 0.72 -1.54 1 116 LYS -1.26 0.13 1 124 VAL -1.12 -1.59 1 126 THR -3.28 0.15 1 130 SER -0.64 0.31 1 131 ARG 4.68 0.83 1 133 GLU -2.73 -1.91 1 134 LEU 3.24 -0.25 1 135 THR 1.23 1.81 1 137 ASN 5.00 0.47 1 138 GLN -3.49 0.00 1 140 SER -0.36 -0.91 1 141 LEU 2.02 -0.64 1 142 THR 1.56 -0.32 1 148 PHE -5.72 -1.47 1 154 ALA -0.84 -1.83 1 155 VAL 1.62 0.10 1 156 GLU -5.03 -1.75 1 157 TRP -5.14 -2.92 1 158 GLU -1.65 0.01 1 159 SER -1.28 0.89 1 160 ASN 2.38 -1.57 1 167 TYR -7.50 -2.41 1 170 THR 2.94 1.27 1 173 VAL -0.79 0.52 1 174 LEU 0.73 -3.02 1 175 ASP -4.86 -0.67 1 177 ASP -0.43 -1.85 1 179 SER -2.23 -1.66 1 181 PHE -1.45 -1.27 1 183 TYR -4.60 -0.56 1 184 SER -2.80 0.77 1 186 LEU -1.51 -2.26 1 188 VAL 3.86 -2.28 1 190 LYS 6.05 0.77 1 191 SER 2.54 -0.06 1 195 GLN 1.52 0.89 1 197 ASN 0.34 -0.08 1 199 PHE -3.45 -0.10 1 200 SER -2.22 0.69 1 202 SER -0.44 -2.23 1 204 MET -2.21 -0.14 1 205 HIS 1.83 -0.13 1 206 GLU -1.64 0.50 1 207 ALA -0.15 -2.30 1 208 LEU 0.07 0.61 1 210 ASN -0.13 -1.15 1 211 HIS -2.88 0.20 1 212 TYR 1.06 -2.55 1 214 GLN -0.80 1.76 1 215 LYS -0.78 -1.95 1 216 SER -2.34 0.78 1 217 LEU -2.95 -3.41 1 218 SER -2.89 -0.51 1 219 LEU 0.96 -4.25 1 220 SER -1.00 1.86 1 stop_ save_