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 bmr26822_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.94 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.90 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 4.88 _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 162 ILE -0.67 -6.50 0 15 LEU 0.93 0.18 1 16 TYR 0.02 -0.63 1 17 LYS 0.32 -0.45 1 18 LYS 0.37 -0.42 1 19 ALA -0.08 -0.25 1 21 PHE 0.08 -0.20 1 22 THR -0.04 -0.22 1 23 GLN 0.62 -0.07 1 24 LEU -5.24 -1.10 1 25 ASP -0.82 -0.27 1 26 ILE -2.95 -1.85 1 27 VAL -3.53 -2.94 1 28 ILE -0.61 -1.84 1 29 VAL -0.05 -1.21 1 30 LEU -4.86 -2.21 1 40 ASP 3.21 1.43 1 41 SER 4.45 3.39 1 42 VAL 6.84 3.43 1 43 THR 6.53 3.90 1 44 ALA 4.03 2.69 1 45 PHE 3.81 2.36 1 46 LEU 2.79 1.81 1 47 ASN 2.87 3.87 1 48 ASP 3.92 2.02 1 49 LEU 1.98 1.81 1 50 LEU 3.71 1.79 1 51 GLU 3.13 1.48 1 52 ARG 0.54 -0.95 1 53 MET -0.80 -0.21 1 54 ASP -0.22 -1.38 1 55 ILE -1.79 -3.60 1 58 LYS -0.70 -2.08 1 59 GLN -0.30 -1.10 1 60 THR 2.29 1.52 1 61 GLN -4.63 -1.12 1 62 VAL -5.87 -2.95 1 64 ILE -2.37 -0.69 1 65 VAL -4.57 -2.79 1 66 GLN -4.97 -2.86 1 67 TYR -7.94 -3.32 1 69 GLU 0.84 0.88 1 70 ASN -4.17 -2.59 1 71 VAL -0.75 -0.62 1 72 THR -2.02 -0.22 1 73 HIS -0.02 0.98 1 74 GLU 3.34 1.26 1 75 PHE -1.70 -1.40 1 76 ASN -1.74 -1.90 1 77 LEU 2.13 2.63 1 78 ASN -2.00 -2.99 1 79 LYS 3.58 2.46 1 80 TYR -2.67 -1.57 1 81 SER -1.59 -1.48 1 82 SER -4.52 -1.97 1 83 THR 6.25 5.14 1 84 GLU 4.65 3.23 1 85 GLU 1.96 2.06 1 86 VAL 4.63 2.87 1 87 LEU 4.20 2.28 1 88 VAL 5.20 3.46 1 89 ALA 1.21 1.62 1 90 ALA 4.02 2.10 1 91 LYS 2.54 1.30 1 92 LYS -0.19 -0.92 1 93 ILE 3.45 1.64 1 94 VAL -3.11 -2.95 1 95 GLN 2.25 -0.53 1 96 ARG 2.40 0.91 1 107 ILE 5.10 4.53 1 108 ASP 1.70 2.83 1 109 THR 7.30 5.14 1 110 ALA 4.01 2.67 1 111 ARG 6.13 4.41 1 112 LYS 1.49 1.88 1 113 GLU -2.11 -0.15 1 114 ALA 2.84 2.67 1 115 PHE 2.64 -0.55 1 116 THR -4.82 -3.02 1 118 ALA 2.84 1.50 1 119 ARG 1.87 -0.13 1 121 ALA 1.67 -0.25 1 122 ARG -2.26 -1.42 1 123 ARG 2.40 0.91 1 125 VAL 0.53 -1.21 1 126 LYS 1.25 0.71 1 127 LYS -2.59 -1.50 1 128 VAL -5.17 -2.25 1 129 MET -7.82 -2.33 1 130 VAL -2.38 -1.79 1 131 ILE -2.92 -0.65 1 132 VAL -5.70 -7.01 1 142 ARG -0.45 -0.37 1 143 LEU 3.67 2.98 1 144 LYS 5.57 3.63 1 145 LYS 3.24 1.41 1 146 VAL 4.15 2.99 1 147 ILE 5.78 2.22 1 148 GLN 4.58 2.38 1 149 ASP 5.66 3.30 1 151 GLU 3.60 2.06 1 152 ASP 3.91 2.13 1 153 GLU 0.10 -0.85 1 154 ASN 3.39 0.90 1 155 ILE 0.42 -0.11 1 156 GLN 0.50 -0.07 1 157 ARG -0.59 -0.88 1 158 PHE -2.95 -1.37 1 159 SER -6.15 -3.13 1 160 ILE -2.85 -1.74 1 161 ALA -3.56 -3.16 1 163 LEU 2.50 1.20 1 174 GLU 4.47 3.40 1 175 LYS 4.40 2.46 1 176 PHE 2.15 0.98 1 177 VAL 7.06 4.74 1 178 GLU 3.25 2.18 1 179 GLU 3.40 2.75 1 180 ILE 6.31 0.48 1 181 LYS 5.11 3.75 1 182 SER 3.75 2.11 1 183 ILE 1.70 1.64 1 184 ALA -0.54 -0.83 1 185 SER 5.50 3.33 1 186 GLU -1.96 -3.11 1 189 GLU 3.71 2.06 1 190 LYS -0.47 -0.45 1 191 HIS 0.36 2.48 1 192 PHE -4.03 -2.51 1 194 ASN -3.94 -2.01 1 195 VAL -5.30 -3.60 1 196 SER 4.54 3.33 1 197 ASP -2.49 -1.36 1 198 ALA 4.22 2.17 1 199 LEU 4.41 2.46 1 200 ALA -1.24 -1.41 1 201 LEU 6.06 3.56 1 202 VAL 4.03 2.29 1 203 THR 2.52 1.99 1 204 ILE -0.04 -0.69 1 205 VAL 6.48 4.74 1 206 LYS 5.57 3.63 1 207 THR 5.56 3.86 1 208 LEU 4.90 2.98 1 210 GLU 3.14 2.07 1 211 ARG 2.64 2.20 1 212 ILE 5.67 4.44 1 213 PHE 2.41 0.96 1 214 ALA 0.51 -0.25 1 215 LEU 0.70 0.07 1 216 GLU -0.48 0.78 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26822_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.94 _LACS_plot.Line_1_terminator_val_y_1 4.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -2.41 _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 162 ILE -0.67 -5.83 0 15 LEU 0.93 -0.75 1 16 TYR 0.02 -0.65 1 17 LYS 0.32 -0.77 1 18 LYS 0.37 -0.79 1 19 ALA -0.08 -0.17 1 21 PHE 0.08 -0.28 1 22 THR -0.04 -0.18 1 23 GLN 0.62 -0.69 1 24 LEU -5.24 4.14 1 25 ASP -0.82 0.55 1 26 ILE -2.95 1.10 1 27 VAL -3.53 0.59 1 28 ILE -0.61 -1.23 1 29 VAL -0.05 -1.16 1 30 LEU -4.86 2.65 1 40 ASP 3.21 -1.78 1 41 SER 4.45 -1.06 1 42 VAL 6.84 -3.41 1 43 THR 6.53 -2.63 1 44 ALA 4.03 -1.34 1 45 PHE 3.81 -1.45 1 46 LEU 2.79 -0.98 1 47 ASN 2.87 1.00 1 48 ASP 3.92 -1.90 1 49 LEU 1.98 -0.17 1 50 LEU 3.71 -1.92 1 51 GLU 3.13 -1.65 1 52 ARG 0.54 -1.49 1 53 MET -0.80 0.59 1 54 ASP -0.22 -1.16 1 55 ILE -1.79 -1.81 1 58 LYS -0.70 -1.38 1 59 GLN -0.30 -0.80 1 60 THR 2.29 -0.77 1 61 GLN -4.63 3.51 1 62 VAL -5.87 2.92 1 64 ILE -2.37 1.68 1 65 VAL -4.57 1.78 1 66 GLN -4.97 2.11 1 67 TYR -7.94 4.62 1 69 GLU 0.84 0.04 1 70 ASN -4.17 1.58 1 71 VAL -0.75 0.13 1 72 THR -2.02 1.80 1 73 HIS -0.02 1.00 1 74 GLU 3.34 -2.08 1 75 PHE -1.70 0.30 1 76 ASN -1.74 -0.16 1 77 LEU 2.13 0.50 1 78 ASN -2.00 -0.99 1 79 LYS 3.58 -1.12 1 80 TYR -2.67 1.10 1 81 SER -1.59 0.11 1 82 SER -4.52 2.55 1 83 THR 6.25 -1.11 1 84 GLU 4.65 -1.42 1 85 GLU 1.96 0.10 1 86 VAL 4.63 -1.76 1 87 LEU 4.20 -1.92 1 88 VAL 5.20 -1.74 1 89 ALA 1.21 0.41 1 90 ALA 4.02 -1.92 1 91 LYS 2.54 -1.24 1 92 LYS -0.19 -0.73 1 93 ILE 3.45 -1.81 1 94 VAL -3.11 0.16 1 95 GLN 2.25 -2.78 1 96 ARG 2.40 -1.49 1 107 ILE 5.10 -0.57 1 108 ASP 1.70 1.13 1 109 THR 7.30 -2.16 1 110 ALA 4.01 -1.34 1 111 ARG 6.13 -1.72 1 112 LYS 1.49 0.39 1 113 GLU -2.11 1.96 1 114 ALA 2.84 -0.17 1 115 PHE 2.64 -3.19 1 116 THR -4.82 1.80 1 118 ALA 2.84 -1.34 1 119 ARG 1.87 -2.00 1 121 ALA 1.67 -1.92 1 122 ARG -2.26 0.84 1 123 ARG 2.40 -1.49 1 125 VAL 0.53 -1.74 1 126 LYS 1.25 -0.54 1 127 LYS -2.59 1.09 1 128 VAL -5.17 2.92 1 129 MET -7.82 5.49 1 130 VAL -2.38 0.59 1 131 ILE -2.92 2.27 1 132 VAL -5.70 -1.31 1 142 ARG -0.45 0.08 1 143 LEU 3.67 -0.69 1 144 LYS 5.57 -1.94 1 145 LYS 3.24 -1.83 1 146 VAL 4.15 -1.16 1 147 ILE 5.78 -3.56 1 148 GLN 4.58 -2.20 1 149 ASP 5.66 -2.36 1 151 GLU 3.60 -1.54 1 152 ASP 3.91 -1.78 1 153 GLU 0.10 -0.95 1 154 ASN 3.39 -2.49 1 155 ILE 0.42 -0.53 1 156 GLN 0.50 -0.57 1 157 ARG -0.59 -0.29 1 158 PHE -2.95 1.58 1 159 SER -6.15 3.02 1 160 ILE -2.85 1.11 1 161 ALA -3.56 0.40 1 163 LEU 2.50 -1.30 1 174 GLU 4.47 -1.07 1 175 LYS 4.40 -1.94 1 176 PHE 2.15 -1.17 1 177 VAL 7.06 -2.32 1 178 GLU 3.25 -1.07 1 179 GLU 3.40 -0.65 1 180 ILE 6.31 -5.83 1 181 LYS 5.11 -1.36 1 182 SER 3.75 -1.64 1 183 ILE 1.70 -0.06 1 184 ALA -0.54 -0.29 1 185 SER 5.50 -2.17 1 186 GLU -1.96 -1.15 1 189 GLU 3.71 -1.65 1 190 LYS -0.47 0.02 1 191 HIS 0.36 2.12 1 192 PHE -4.03 1.52 1 194 ASN -3.94 1.93 1 195 VAL -5.30 1.70 1 196 SER 4.54 -1.21 1 197 ASP -2.49 1.13 1 198 ALA 4.22 -2.05 1 199 LEU 4.41 -1.95 1 200 ALA -1.24 -0.17 1 201 LEU 6.06 -2.50 1 202 VAL 4.03 -1.74 1 203 THR 2.52 -0.53 1 204 ILE -0.04 -0.65 1 205 VAL 6.48 -1.74 1 206 LYS 5.57 -1.94 1 207 THR 5.56 -1.70 1 208 LEU 4.90 -1.92 1 210 GLU 3.14 -1.07 1 211 ARG 2.64 -0.44 1 212 ILE 5.67 -1.23 1 213 PHE 2.41 -1.45 1 214 ALA 0.51 -0.76 1 215 LEU 0.70 -0.63 1 216 GLU -0.48 1.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26822_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.94 _LACS_plot.Line_1_terminator_val_y_1 -3.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 1.99 _LACS_plot.Y_axis_chem_shift_offset 0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 THR -4.82 1.64 0 216 GLU -0.48 4.08 0 15 LEU 0.93 -0.68 1 16 TYR 0.02 -0.42 1 17 LYS 0.32 -0.52 1 18 LYS 0.37 -0.66 1 19 ALA -0.08 -0.06 1 21 PHE 0.08 -0.16 1 22 THR -0.04 -0.24 1 23 GLN 0.62 -3.04 1 24 LEU -5.24 -2.71 1 25 ASP -0.82 -2.99 1 26 ILE -2.95 -2.23 1 27 VAL -3.53 -1.10 1 28 ILE -0.61 -3.28 1 29 VAL -0.05 -2.53 1 30 LEU -4.86 -3.61 1 40 ASP 3.21 1.98 1 42 VAL 6.84 1.60 1 43 THR 6.53 2.97 1 44 ALA 4.03 0.73 1 45 PHE 3.81 -0.86 1 46 LEU 2.79 0.12 1 47 ASN 2.87 0.35 1 48 ASP 3.92 1.65 1 49 LEU 1.98 0.12 1 50 LEU 3.71 1.42 1 51 GLU 3.13 -0.03 1 52 ARG 0.54 -0.61 1 53 MET -0.80 -1.85 1 54 ASP -0.22 -2.76 1 55 ILE -1.79 0.01 1 58 LYS -0.70 -0.45 1 59 GLN -0.30 -0.41 1 60 THR 2.29 -2.25 1 61 GLN -4.63 -2.02 1 62 VAL -5.87 -3.02 1 64 ILE -2.37 -2.49 1 65 VAL -4.57 -3.14 1 66 GLN -4.97 -1.97 1 67 TYR -7.94 -3.78 1 69 GLU 0.84 -1.61 1 70 ASN -4.17 -1.29 1 71 VAL -0.75 -1.71 1 72 THR -2.02 -1.42 1 73 HIS -0.02 1.31 1 74 GLU 3.34 2.17 1 75 PHE -1.70 -1.75 1 76 ASN -1.74 0.95 1 77 LEU 2.13 -1.66 1 78 ASN -2.00 1.65 1 79 LYS 3.58 -0.42 1 80 TYR -2.67 0.37 1 81 SER -1.59 -2.88 1 82 SER -4.52 -0.38 1 83 THR 6.25 0.73 1 84 GLU 4.65 2.00 1 85 GLU 1.96 2.40 1 86 VAL 4.63 0.13 1 87 LEU 4.20 2.31 1 88 VAL 5.20 1.63 1 89 ALA 1.21 3.70 1 90 ALA 4.02 0.29 1 91 LYS 2.54 0.74 1 92 LYS -0.19 0.02 1 93 ILE 3.45 -1.11 1 94 VAL -3.11 -2.57 1 95 GLN 2.25 1.25 1 96 ARG 2.40 1.46 1 107 ILE 5.10 1.04 1 108 ASP 1.70 2.35 1 110 ALA 4.01 0.31 1 111 ARG 6.13 0.95 1 112 LYS 1.49 0.39 1 113 GLU -2.11 0.79 1 114 ALA 2.84 0.06 1 115 PHE 2.64 -0.81 1 118 ALA 2.84 1.25 1 119 ARG 1.87 -2.60 1 121 ALA 1.67 0.08 1 122 ARG -2.26 0.09 1 123 ARG 2.40 1.67 1 125 VAL 0.53 -0.54 1 126 LYS 1.25 -2.78 1 127 LYS -2.59 -0.63 1 128 VAL -5.17 -2.71 1 129 MET -7.82 -1.45 1 130 VAL -2.38 -2.50 1 131 ILE -2.92 -2.60 1 132 VAL -5.70 -4.30 1 143 LEU 3.67 -0.84 1 144 LYS 5.57 2.53 1 145 LYS 3.24 0.57 1 146 VAL 4.15 3.15 1 147 ILE 5.78 1.23 1 148 GLN 4.58 2.13 1 149 ASP 5.66 3.01 1 151 GLU 3.60 4.07 1 152 ASP 3.91 1.16 1 153 GLU 0.10 -2.03 1 154 ASN 3.39 -0.55 1 155 ILE 0.42 -1.53 1 156 GLN 0.50 -0.97 1 157 ARG -0.59 -1.08 1 158 PHE -2.95 -0.70 1 159 SER -6.15 -3.07 1 160 ILE -2.85 -2.86 1 161 ALA -3.56 -2.28 1 162 ILE -0.67 0.78 1 174 GLU 4.47 1.84 1 175 LYS 4.40 2.33 1 176 PHE 2.15 0.21 1 177 VAL 7.06 0.96 1 178 GLU 3.25 2.33 1 179 GLU 3.40 2.61 1 180 ILE 6.31 3.93 1 181 LYS 5.11 1.63 1 182 SER 3.75 0.05 1 183 ILE 1.70 -1.13 1 184 ALA -0.54 0.34 1 186 GLU -1.96 -0.24 1 189 GLU 3.71 0.74 1 190 LYS -0.47 -0.75 1 191 HIS 0.36 -1.98 1 194 ASN -3.94 -1.24 1 195 VAL -5.30 -0.45 1 197 ASP -2.49 -0.94 1 198 ALA 4.22 1.74 1 199 LEU 4.41 0.51 1 200 ALA -1.24 1.97 1 201 LEU 6.06 0.40 1 202 VAL 4.03 1.57 1 203 THR 2.52 1.92 1 204 ILE -0.04 -0.64 1 205 VAL 6.48 0.46 1 206 LYS 5.57 1.95 1 207 THR 5.56 1.01 1 208 LEU 4.90 0.09 1 210 GLU 3.14 2.80 1 211 ARG 2.64 2.65 1 212 ILE 5.67 -0.27 1 213 PHE 2.41 -0.93 1 214 ALA 0.51 -0.39 1 215 LEU 0.70 -1.24 1 stop_ save_