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 bmr26600_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.75 _LACS_plot.Line_1_terminator_val_y_1 -3.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.01 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 3.77 _LACS_plot.Y_axis_chem_shift_offset 0.76 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 PHE -3.84 -5.42 0 10 HIS -4.59 0.25 1 11 ILE -2.89 -0.78 1 12 ILE -1.87 -1.69 1 13 LYS -8.75 -4.99 1 14 GLU -2.89 -2.41 1 15 LYS 2.65 1.04 1 18 ARG -4.58 -2.70 1 19 SER -3.22 -1.10 1 20 VAL -1.76 -1.53 1 21 LEU -0.58 -0.99 1 22 THR 0.54 0.75 1 24 ILE -2.42 -3.91 1 26 ILE 3.86 0.83 1 27 SER 3.32 1.42 1 29 HIS -1.34 1.08 1 30 SER -1.56 -1.01 1 31 ASN -2.46 -0.74 1 32 VAL -2.27 -0.77 1 33 VAL -4.20 -2.59 1 34 TRP -4.76 -1.96 1 35 TYR -6.86 -1.48 1 36 GLN -6.33 -2.35 1 37 GLN -2.88 -1.23 1 38 THR 0.09 -0.30 1 39 LEU 3.33 1.43 1 41 LYS 0.32 -1.62 1 42 GLU -0.51 -1.10 1 43 LEU 0.68 -0.06 1 44 LYS -1.48 -1.47 1 45 PHE 1.52 0.69 1 46 LEU 1.05 0.35 1 47 ILE -0.36 -0.62 1 48 GLN -4.65 -2.14 1 63 ARG 2.14 -0.16 1 65 SER -2.43 -1.88 1 66 VAL -0.53 -2.27 1 69 PHE -0.53 -0.18 1 70 ASP 3.83 2.70 1 71 ASP 0.98 -1.58 1 72 TYR 6.92 2.21 1 73 HIS 4.18 0.66 1 74 SER -4.85 -3.26 1 75 GLU -4.87 -2.76 1 76 MET -2.46 -2.16 1 77 ASN -1.18 -0.80 1 78 MET -2.01 -1.04 1 79 SER -3.28 -1.76 1 80 ALA 1.21 -1.16 1 81 LEU 0.95 0.97 1 82 GLU -4.73 -3.47 1 83 LEU 7.20 3.64 1 84 GLU 3.53 1.04 1 85 ASP 1.43 0.70 1 86 SER 2.70 1.63 1 87 ALA -1.25 -1.10 1 88 MET -2.23 -2.47 1 89 TYR -1.86 -1.01 1 90 PHE -3.69 -0.30 1 93 SER -6.87 -2.24 1 94 SER -5.51 -1.63 1 95 LEU 5.78 3.79 1 96 ARG -3.77 -3.30 1 99 ASP -2.42 -1.10 1 100 GLU 1.33 0.02 1 101 GLN -1.91 -1.19 1 102 TYR -1.54 -1.38 1 103 PHE 0.04 0.85 1 107 THR -2.33 -0.35 1 108 ARG 0.65 -0.55 1 109 LEU -4.05 -2.32 1 110 THR 2.31 0.95 1 111 VAL -1.40 -2.64 1 112 LEU -5.48 -3.32 1 113 GLU 2.98 2.23 1 114 ASP -2.68 -1.79 1 115 LEU 2.61 0.60 1 116 ARG 4.44 1.73 1 117 ASN 0.55 0.50 1 118 VAL 5.13 2.02 1 119 THR -5.58 -2.97 1 122 LYS 0.44 -0.98 1 123 VAL -1.58 -1.30 1 124 SER -3.62 -1.87 1 125 LEU -4.35 -2.50 1 126 PHE -1.22 -1.84 1 127 GLU -0.09 -2.47 1 129 SER -1.51 -1.61 1 130 LYS 4.73 2.74 1 131 ALA 3.26 1.47 1 132 GLU 2.97 1.74 1 133 ILE 3.08 1.41 1 134 ALA 1.53 0.95 1 135 ASN -6.35 -0.84 1 136 LYS -4.40 -2.78 1 139 ALA 1.80 -0.56 1 140 THR -0.59 -0.52 1 141 LEU -2.50 -1.74 1 142 VAL -4.61 -2.17 1 144 LEU -4.67 -3.92 1 145 ALA -2.70 -1.22 1 146 ARG -5.90 -4.66 1 148 PHE -2.12 0.16 1 149 PHE 3.95 -0.82 1 151 ASP -0.13 -1.68 1 152 HIS -6.31 -4.45 1 153 VAL -4.43 -1.95 1 154 GLU -2.53 -0.68 1 155 LEU -4.19 -1.93 1 156 SER -3.98 -1.42 1 157 TRP -2.56 -2.67 1 158 TRP -1.64 -2.31 1 159 VAL 3.88 1.07 1 160 ASN -3.13 -2.36 1 162 LYS 1.74 -0.75 1 163 GLU -3.01 -2.27 1 164 VAL -0.76 -1.20 1 168 VAL -1.62 -2.18 1 169 SER -0.71 -1.18 1 170 THR 0.76 -0.75 1 171 ASP -3.78 -2.25 1 173 GLN -0.21 -0.75 1 174 ALA -2.25 -2.14 1 175 TYR 2.19 -0.23 1 176 LYS 0.37 0.28 1 177 GLU -0.46 -1.67 1 178 SER -1.91 -3.56 1 180 TYR -0.24 -0.21 1 181 SER -4.70 -1.37 1 182 TYR -4.39 -1.91 1 183 SER -3.89 0.40 1 184 LEU -6.00 -2.33 1 185 SER -2.17 -2.08 1 186 SER -2.80 -1.84 1 187 ARG -0.09 -2.61 1 188 LEU -1.60 -1.98 1 189 ARG -6.41 -4.40 1 190 VAL 0.26 -0.31 1 191 SER 4.96 2.79 1 192 ALA 4.32 2.80 1 193 THR 2.74 2.99 1 194 PHE 1.56 0.91 1 195 TRP 0.53 -0.94 1 196 HIS -3.31 -4.08 1 197 ASN 1.72 -0.65 1 199 ARG 0.01 -1.15 1 200 ASN -4.65 0.22 1 201 HIS -3.44 -1.90 1 202 PHE -5.12 -1.78 1 203 ARG -4.44 -1.90 1 205 GLN -0.44 -2.00 1 206 VAL -0.80 -1.30 1 207 GLN -3.89 -2.77 1 208 PHE 0.75 0.31 1 209 HIS 0.10 -1.19 1 211 LEU -2.74 -1.75 1 212 SER 3.71 2.34 1 213 GLU 1.26 0.04 1 214 GLU 0.17 0.58 1 215 ASP 0.94 -0.46 1 216 LYS -7.20 -4.20 1 217 TRP -1.94 -2.80 1 221 SER -1.64 -2.45 1 225 VAL 2.57 1.21 1 226 THR -3.57 -1.48 1 227 GLN -2.26 -1.95 1 228 ASN -1.73 -1.18 1 229 ILE -4.15 -1.70 1 230 SER -4.78 -1.78 1 231 ALA -6.70 -2.93 1 232 GLU -3.50 -1.06 1 233 ALA -2.76 -1.39 1 234 TRP -2.45 -2.02 1 236 ARG 0.36 -0.78 1 237 ALA 0.49 -0.76 1 238 ASP 0.74 0.96 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26600_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.75 _LACS_plot.Line_1_terminator_val_y_1 4.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -3.42 _LACS_plot.Y_axis_chem_shift_offset 0.76 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 PHE -3.84 -1.58 0 10 HIS -4.59 4.84 1 11 ILE -2.89 2.11 1 12 ILE -1.87 0.18 1 13 LYS -8.75 3.76 1 14 GLU -2.89 0.48 1 15 LYS 2.65 -1.61 1 18 ARG -4.58 1.88 1 19 SER -3.22 2.12 1 20 VAL -1.76 0.23 1 21 LEU -0.58 -0.41 1 22 THR 0.54 0.21 1 24 ILE -2.42 -1.49 1 26 ILE 3.86 -3.03 1 27 SER 3.32 -1.90 1 29 HIS -1.34 2.42 1 30 SER -1.56 0.55 1 31 ASN -2.46 1.72 1 32 VAL -2.27 1.50 1 33 VAL -4.20 1.61 1 34 TRP -4.76 2.80 1 35 TYR -6.86 5.38 1 36 GLN -6.33 3.98 1 37 GLN -2.88 1.65 1 38 THR 0.09 -0.39 1 39 LEU 3.33 -1.90 1 41 LYS 0.32 -1.94 1 42 GLU -0.51 -0.59 1 43 LEU 0.68 -0.74 1 44 LYS -1.48 0.01 1 45 PHE 1.52 -0.83 1 46 LEU 1.05 -0.70 1 47 ILE -0.36 -0.26 1 48 GLN -4.65 2.51 1 63 ARG 2.14 -2.30 1 65 SER -2.43 0.55 1 66 VAL -0.53 -1.74 1 69 PHE -0.53 0.35 1 70 ASP 3.83 -1.13 1 71 ASP 0.98 -2.56 1 72 TYR 6.92 -4.71 1 73 HIS 4.18 -3.52 1 74 SER -4.85 1.59 1 75 GLU -4.87 2.11 1 76 MET -2.46 0.30 1 77 ASN -1.18 0.38 1 78 MET -2.01 0.97 1 79 SER -3.28 1.52 1 80 ALA 1.21 -2.37 1 81 LEU 0.95 0.02 1 82 GLU -4.73 1.26 1 83 LEU 7.20 -3.56 1 84 GLU 3.53 -2.49 1 85 ASP 1.43 -0.73 1 86 SER 2.70 -1.07 1 87 ALA -1.25 0.15 1 88 MET -2.23 -0.24 1 89 TYR -1.86 0.85 1 90 PHE -3.69 3.39 1 93 SER -6.87 4.63 1 94 SER -5.51 3.88 1 95 LEU 5.78 -1.99 1 96 ARG -3.77 0.47 1 99 ASP -2.42 1.32 1 100 GLU 1.33 -1.31 1 101 GLN -1.91 0.72 1 102 TYR -1.54 0.16 1 103 PHE 0.04 0.81 1 107 THR -2.33 1.98 1 108 ARG 0.65 -1.20 1 109 LEU -4.05 1.73 1 110 THR 2.31 -1.36 1 111 VAL -1.40 -1.24 1 112 LEU -5.48 2.16 1 113 GLU 2.98 -0.75 1 114 ASP -2.68 0.89 1 115 LEU 2.61 -2.01 1 116 ARG 4.44 -2.71 1 117 ASN 0.55 -0.05 1 118 VAL 5.13 -3.11 1 119 THR -5.58 2.61 1 122 LYS 0.44 -1.42 1 123 VAL -1.58 0.28 1 124 SER -3.62 1.75 1 125 LEU -4.35 1.85 1 126 PHE -1.22 -0.62 1 127 GLU -0.09 -2.38 1 129 SER -1.51 -0.10 1 130 LYS 4.73 -1.99 1 131 ALA 3.26 -1.79 1 132 GLU 2.97 -1.23 1 133 ILE 3.08 -1.67 1 134 ALA 1.53 -0.58 1 135 ASN -6.35 5.51 1 136 LYS -4.40 1.62 1 139 ALA 1.80 -2.36 1 140 THR -0.59 0.07 1 141 LEU -2.50 0.76 1 142 VAL -4.61 2.44 1 144 LEU -4.67 0.75 1 145 ALA -2.70 1.48 1 146 ARG -5.90 1.24 1 148 PHE -2.12 2.28 1 149 PHE 3.95 -4.77 1 151 ASP -0.13 -1.55 1 152 HIS -6.31 1.86 1 153 VAL -4.43 2.48 1 154 GLU -2.53 1.85 1 155 LEU -4.19 2.26 1 156 SER -3.98 2.56 1 157 TRP -2.56 -0.11 1 158 TRP -1.64 -0.67 1 159 VAL 3.88 -2.81 1 160 ASN -3.13 0.77 1 162 LYS 1.74 -2.49 1 163 GLU -3.01 0.74 1 164 VAL -0.76 -0.44 1 168 VAL -1.62 -0.56 1 169 SER -0.71 -0.47 1 170 THR 0.76 -1.51 1 171 ASP -3.78 1.53 1 173 GLN -0.21 -0.54 1 174 ALA -2.25 0.11 1 175 TYR 2.19 -2.42 1 176 LYS 0.37 -0.09 1 177 GLU -0.46 -1.21 1 178 SER -1.91 -1.65 1 180 TYR -0.24 0.03 1 181 SER -4.70 3.33 1 182 TYR -4.39 2.48 1 183 SER -3.89 4.29 1 184 LEU -6.00 3.67 1 185 SER -2.17 0.09 1 186 SER -2.80 0.96 1 187 ARG -0.09 -2.52 1 188 LEU -1.60 -0.38 1 189 ARG -6.41 2.01 1 190 VAL 0.26 -0.57 1 191 SER 4.96 -2.17 1 192 ALA 4.32 -1.52 1 193 THR 2.74 0.25 1 194 PHE 1.56 -0.65 1 195 TRP 0.53 -1.47 1 196 HIS -3.31 -0.77 1 197 ASN 1.72 -2.37 1 199 ARG 0.01 -1.16 1 200 ASN -4.65 4.87 1 201 HIS -3.44 1.54 1 202 PHE -5.12 3.34 1 203 ARG -4.44 2.54 1 205 GLN -0.44 -1.56 1 206 VAL -0.80 -0.50 1 207 GLN -3.89 1.12 1 208 PHE 0.75 -0.44 1 209 HIS 0.10 -1.29 1 211 LEU -2.74 0.99 1 212 SER 3.71 -1.37 1 213 GLU 1.26 -1.22 1 214 GLU 0.17 0.41 1 215 ASP 0.94 -1.40 1 216 LYS -7.20 3.00 1 217 TRP -1.94 -0.86 1 221 SER -1.64 -0.81 1 225 VAL 2.57 -1.36 1 226 THR -3.57 2.09 1 227 GLN -2.26 0.31 1 228 ASN -1.73 0.55 1 229 ILE -4.15 2.45 1 230 SER -4.78 3.00 1 231 ALA -6.70 3.77 1 232 GLU -3.50 2.44 1 233 ALA -2.76 1.37 1 234 TRP -2.45 0.43 1 236 ARG 0.36 -1.14 1 237 ALA 0.49 -1.25 1 238 ASP 0.74 0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26600_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.75 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 1.10 _LACS_plot.Y_axis_chem_shift_offset 0.89 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 ILE -0.36 -6.52 0 10 HIS -4.59 0.30 1 11 ILE -2.89 -3.49 1 12 ILE -1.87 -1.25 1 13 LYS -8.75 -2.74 1 14 GLU -2.89 -0.99 1 15 LYS 2.65 0.13 1 18 ARG -4.58 -1.01 1 19 SER -3.22 -2.40 1 20 VAL -1.76 -1.50 1 21 LEU -0.58 -1.70 1 22 THR 0.54 -0.99 1 24 ILE -2.42 -2.82 1 26 ILE 3.86 -0.66 1 27 SER 3.32 0.56 1 29 HIS -1.34 1.67 1 30 SER -1.56 -0.87 1 31 ASN -2.46 -1.60 1 32 VAL -2.27 -1.83 1 33 VAL -4.20 -2.26 1 34 TRP -4.76 -0.79 1 35 TYR -6.86 -1.09 1 36 GLN -6.33 -1.85 1 37 GLN -2.88 -0.55 1 38 THR 0.09 -0.21 1 39 LEU 3.33 0.59 1 41 LYS 0.32 -0.79 1 42 GLU -0.51 -0.73 1 43 LEU 0.68 -1.25 1 44 LYS -1.48 -0.69 1 45 PHE 1.52 -1.21 1 46 LEU 1.05 -2.81 1 48 GLN -4.65 -3.09 1 63 ARG 2.14 -0.66 1 64 PHE -3.84 -2.07 1 65 SER -2.43 -1.81 1 69 PHE -0.53 0.89 1 70 ASP 3.83 -0.39 1 71 ASP 0.98 0.35 1 72 TYR 6.92 -0.85 1 73 HIS 4.18 -1.97 1 74 SER -4.85 -0.37 1 75 GLU -4.87 -2.02 1 76 MET -2.46 -3.13 1 77 ASN -1.18 -0.97 1 78 MET -2.01 -2.39 1 79 SER -3.28 -3.68 1 80 ALA 1.21 -0.56 1 81 LEU 0.95 0.22 1 82 GLU -4.73 0.99 1 83 LEU 7.20 3.25 1 84 GLU 3.53 -0.62 1 85 ASP 1.43 1.07 1 86 SER 2.70 -0.99 1 87 ALA -1.25 -2.75 1 88 MET -2.23 -1.03 1 89 TYR -1.86 0.61 1 90 PHE -3.69 -2.56 1 93 SER -6.87 -1.69 1 94 SER -5.51 -1.29 1 95 LEU 5.78 -0.36 1 96 ARG -3.77 -2.49 1 99 ASP -2.42 -1.70 1 100 GLU 1.33 -1.50 1 101 GLN -1.91 -0.46 1 102 TYR -1.54 -1.10 1 103 PHE 0.04 2.95 1 107 THR -2.33 -1.71 1 108 ARG 0.65 -3.55 1 109 LEU -4.05 -1.42 1 110 THR 2.31 -3.32 1 111 VAL -1.40 -2.14 1 112 LEU -5.48 -0.75 1 113 GLU 2.98 -0.42 1 114 ASP -2.68 -0.09 1 115 LEU 2.61 0.24 1 116 ARG 4.44 0.73 1 117 ASN 0.55 0.32 1 118 VAL 5.13 -0.99 1 119 THR -5.58 -4.72 1 122 LYS 0.44 0.05 1 123 VAL -1.58 -1.78 1 124 SER -3.62 -4.68 1 125 LEU -4.35 -2.31 1 126 PHE -1.22 -0.91 1 127 GLU -0.09 -0.44 1 129 SER -1.51 0.82 1 130 LYS 4.73 2.38 1 131 ALA 3.26 1.70 1 132 GLU 2.97 2.62 1 133 ILE 3.08 0.96 1 134 ALA 1.53 0.88 1 135 ASN -6.35 -4.17 1 136 LYS -4.40 -3.02 1 139 ALA 1.80 -0.50 1 140 THR -0.59 -2.23 1 141 LEU -2.50 -2.28 1 142 VAL -4.61 -3.81 1 144 LEU -4.67 -2.36 1 145 ALA -2.70 -0.25 1 146 ARG -5.90 -1.67 1 148 PHE -2.12 -1.37 1 149 PHE 3.95 -0.81 1 151 ASP -0.13 -0.62 1 152 HIS -6.31 -0.86 1 153 VAL -4.43 -2.37 1 154 GLU -2.53 -2.04 1 155 LEU -4.19 -3.27 1 156 SER -3.98 -0.88 1 157 TRP -2.56 0.67 1 158 TRP -1.64 0.13 1 159 VAL 3.88 0.66 1 160 ASN -3.13 -2.49 1 162 LYS 1.74 0.08 1 163 GLU -3.01 -2.79 1 164 VAL -0.76 0.48 1 168 VAL -1.62 -1.36 1 169 SER -0.71 -1.04 1 170 THR 0.76 -1.92 1 171 ASP -3.78 -1.99 1 173 GLN -0.21 -1.35 1 174 ALA -2.25 -1.21 1 175 TYR 2.19 -1.24 1 176 LYS 0.37 -0.34 1 177 GLU -0.46 -0.96 1 178 SER -1.91 -1.87 1 180 TYR -0.24 -2.35 1 181 SER -4.70 -1.85 1 182 TYR -4.39 -2.03 1 183 SER -3.89 -4.07 1 184 LEU -6.00 -2.16 1 185 SER -2.17 -2.10 1 186 SER -2.80 -2.89 1 187 ARG -0.09 -4.06 1 188 LEU -1.60 -0.56 1 189 ARG -6.41 -1.65 1 190 VAL 0.26 0.86 1 191 SER 4.96 0.63 1 192 ALA 4.32 0.92 1 193 THR 2.74 2.13 1 194 PHE 1.56 -2.12 1 195 TRP 0.53 -0.05 1 196 HIS -3.31 -0.99 1 197 ASN 1.72 0.55 1 199 ARG 0.01 -3.27 1 200 ASN -4.65 -1.10 1 201 HIS -3.44 -2.33 1 202 PHE -5.12 -2.93 1 203 ARG -4.44 -2.56 1 205 GLN -0.44 -2.10 1 206 VAL -0.80 -2.45 1 207 GLN -3.89 -3.30 1 208 PHE 0.75 -1.06 1 209 HIS 0.10 -1.76 1 211 LEU -2.74 1.43 1 212 SER 3.71 0.77 1 213 GLU 1.26 0.30 1 214 GLU 0.17 -0.83 1 215 ASP 0.94 -1.04 1 216 LYS -7.20 -2.46 1 217 TRP -1.94 -2.49 1 221 SER -1.64 -0.71 1 225 VAL 2.57 -0.13 1 226 THR -3.57 -3.99 1 227 GLN -2.26 -0.70 1 228 ASN -1.73 -1.80 1 229 ILE -4.15 -1.65 1 230 SER -4.78 -2.79 1 231 ALA -6.70 -2.16 1 232 GLU -3.50 -3.02 1 233 ALA -2.76 0.08 1 234 TRP -2.45 -1.78 1 236 ARG 0.36 -0.41 1 237 ALA 0.49 -1.36 1 238 ASP 0.74 3.84 1 stop_ save_