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 bmr18738_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -3.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.86 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 4.86 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 THR -6.86 -3.68 0 11 SER 3.36 1.87 1 12 LYS 4.62 2.40 1 13 THR 6.07 4.01 1 14 GLN 5.01 2.59 1 15 ASP 3.12 2.94 1 16 LEU 5.70 2.87 1 17 PHE 3.80 -0.31 1 18 ARG 5.56 3.82 1 19 ARG 4.79 2.86 1 20 VAL 7.54 4.70 1 21 ARG 6.28 4.42 1 22 SER 4.33 2.68 1 23 ILE 5.09 4.03 1 24 LEU 3.70 2.16 1 25 ASN 2.70 1.42 1 26 LYS -0.70 -0.72 1 27 LEU 3.05 1.96 1 28 THR -3.95 -4.18 1 30 GLN 4.21 2.33 1 31 MET -0.52 -1.33 1 32 PHE 4.87 4.24 1 37 LYS 4.91 2.56 1 38 GLN 4.29 2.50 1 39 VAL 5.83 3.39 1 40 THR 3.67 2.41 1 41 GLN 0.40 -0.51 1 42 LEU 0.27 -0.69 1 43 ALA 1.61 -1.54 1 44 ILE 3.41 -0.13 1 45 ASP 5.91 4.83 1 47 GLU 5.08 3.23 1 49 ARG 6.00 3.93 1 50 LEU 4.63 2.95 1 51 LYS 5.58 4.02 1 53 VAL 7.32 4.87 1 54 ILE 6.33 3.66 1 55 ASP 3.99 3.80 1 57 ILE 6.32 4.41 1 58 PHE 5.32 4.28 1 59 GLU 3.43 2.02 1 60 LYS 2.94 0.29 1 61 ALA 4.75 1.67 1 62 ILE 5.02 3.16 1 63 SER 1.38 1.28 1 64 GLU -0.92 -0.99 1 66 ASN 4.49 2.13 1 67 PHE -1.18 -3.35 1 69 VAL 6.04 3.58 1 70 ALA 4.40 1.65 1 71 TYR 3.50 1.14 1 72 ALA 4.27 2.66 1 73 ASN 3.81 3.40 1 74 MET 6.51 4.30 1 76 ARG 5.17 2.98 1 78 LEU 2.14 0.49 1 79 MET 2.92 2.00 1 80 ALA 0.37 -0.46 1 81 LEU 1.19 0.08 1 82 LYS 0.30 -1.42 1 83 VAL -1.91 -1.49 1 85 THR -0.44 -0.23 1 86 THR 5.16 3.68 1 87 GLU 1.95 1.39 1 88 LYS -1.61 -1.19 1 90 THR 1.38 -0.15 1 91 VAL -1.06 -1.21 1 92 THR -1.46 -1.18 1 93 VAL 0.68 -0.19 1 94 ASN -0.18 -1.50 1 95 PHE 4.13 4.30 1 96 ARG 6.07 4.06 1 97 LYS 4.35 2.34 1 99 LEU 3.40 2.43 1 100 LEU 5.19 3.06 1 101 ASN 4.23 2.70 1 102 ARG 3.90 0.11 1 104 GLN 5.32 2.74 1 105 LYS 4.31 2.15 1 106 GLU 2.92 1.47 1 107 PHE 3.55 0.55 1 108 GLU 3.49 1.90 1 115 GLU 3.56 2.35 1 116 VAL 6.32 3.82 1 117 PHE 3.89 0.40 1 118 GLU 3.91 2.51 1 119 LYS 4.83 2.99 1 120 LYS 5.61 1.80 1 122 LYS 3.32 0.92 1 123 GLU 1.10 2.07 1 124 MET 7.33 3.32 1 125 ASP 3.36 2.08 1 126 GLU -0.46 -1.18 1 127 ALA 1.34 0.07 1 128 ALA 1.07 1.40 1 129 THR -5.86 -3.39 1 130 ALA 3.84 1.99 1 131 GLU 4.72 2.85 1 132 GLU 2.30 1.87 1 133 ARG 5.90 4.24 1 135 ARG 4.56 2.69 1 136 LEU 4.05 2.21 1 138 GLU 3.64 2.34 1 139 GLU 0.98 2.01 1 141 GLU 3.64 2.34 1 142 GLU 0.98 2.01 1 143 ALA -1.51 -1.24 1 144 ARG 6.66 5.26 1 146 ILE 4.81 3.55 1 147 ALA 3.37 2.13 1 148 ARG 4.58 2.65 1 149 ARG 5.47 3.52 1 150 ARG 5.70 3.03 1 151 SER 3.92 2.86 1 152 LEU 5.16 2.31 1 154 ASN 4.40 3.91 1 155 ILE 6.34 4.56 1 156 LYS 4.81 3.51 1 157 PHE 3.40 1.43 1 158 ILE 7.17 4.37 1 160 GLU 0.23 1.47 1 161 LEU 3.17 1.38 1 162 PHE 3.88 3.33 1 163 LYS 4.44 2.75 1 164 LEU -0.07 -1.34 1 165 LYS -0.13 -0.03 1 166 MET -0.36 0.74 1 167 LEU -5.74 -3.04 1 168 THR -2.71 -2.08 1 169 GLU 4.74 2.94 1 170 ALA 4.73 3.11 1 171 ILE 2.39 0.55 1 172 MET 4.08 0.40 1 173 HIS 4.90 5.82 1 174 ASP 5.38 3.24 1 176 VAL 7.47 4.68 1 180 LEU 3.35 1.92 1 181 LYS 3.92 2.16 1 182 ASN 2.86 1.45 1 183 HIS 2.86 1.98 1 184 ASP -2.75 -1.86 1 185 GLU 4.52 3.17 1 186 GLU 4.64 3.05 1 187 SER 6.54 4.31 1 188 LEU 4.06 2.19 1 189 GLU 5.17 3.30 1 191 LEU 4.66 2.42 1 193 ARG 5.52 3.12 1 194 LEU 2.95 2.46 1 195 LEU 3.16 2.06 1 197 THR 3.34 2.78 1 198 ILE -1.19 -0.83 1 206 LYS 7.02 2.71 1 207 ALA 4.16 2.18 1 208 LYS 6.87 2.81 1 212 ASP 5.01 2.91 1 213 GLN 5.39 2.83 1 214 TYR 2.29 -0.58 1 215 PHE 6.00 3.82 1 216 ASN 4.13 2.90 1 217 GLN 5.19 3.24 1 219 GLU 4.30 3.11 1 220 LYS 5.32 3.28 1 221 ILE 5.39 3.64 1 222 ILE 5.92 4.60 1 230 ARG 4.49 2.96 1 231 ILE 3.33 -1.03 1 232 ARG 6.59 4.50 1 233 PHE 4.75 2.26 1 234 MET 3.97 3.95 1 235 LEU 3.09 2.30 1 236 GLN 3.99 2.09 1 237 ASP 4.70 2.96 1 238 VAL 6.10 3.61 1 239 LEU 6.39 3.83 1 240 ASP 4.46 2.31 1 241 LEU 3.73 1.83 1 242 ARG 5.82 2.99 1 244 SER -0.04 -1.37 1 245 ASN 3.79 1.27 1 246 TRP 5.29 0.37 1 247 VAL -1.73 -2.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18738_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 -2.68 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 THR -6.86 3.18 0 11 SER 3.36 -1.49 1 12 LYS 4.62 -2.22 1 13 THR 6.07 -2.06 1 14 GLN 5.01 -2.42 1 15 ASP 3.12 -0.18 1 16 LEU 5.70 -2.83 1 17 PHE 3.80 -4.11 1 18 ARG 5.56 -1.74 1 19 ARG 4.79 -1.93 1 20 VAL 7.54 -2.84 1 21 ARG 6.28 -1.86 1 22 SER 4.33 -1.65 1 23 ILE 5.09 -1.06 1 24 LEU 3.70 -1.54 1 25 ASN 2.70 -1.28 1 26 LYS -0.70 -0.02 1 27 LEU 3.05 -1.09 1 28 THR -3.95 -0.23 1 30 GLN 4.21 -1.88 1 31 MET -0.52 -0.81 1 32 PHE 4.87 -0.63 1 37 LYS 4.91 -2.35 1 38 GLN 4.29 -1.79 1 39 VAL 5.83 -2.44 1 40 THR 3.67 -1.26 1 41 GLN 0.40 -0.91 1 42 LEU 0.27 -0.96 1 43 ALA 1.61 -3.15 1 44 ILE 3.41 -3.54 1 45 ASP 5.91 -1.08 1 47 GLU 5.08 -1.85 1 49 ARG 6.00 -2.07 1 50 LEU 4.63 -1.68 1 51 LYS 5.58 -1.56 1 53 VAL 7.32 -2.45 1 54 ILE 6.33 -2.67 1 55 ASP 3.99 -0.19 1 57 ILE 6.32 -1.91 1 58 PHE 5.32 -1.04 1 59 GLU 3.43 -1.41 1 60 LYS 2.94 -2.65 1 61 ALA 4.75 -3.08 1 62 ILE 5.02 -1.86 1 63 SER 1.38 -0.10 1 64 GLU -0.92 -0.07 1 66 ASN 4.49 -2.36 1 67 PHE -1.18 -2.17 1 69 VAL 6.04 -2.46 1 70 ALA 4.40 -2.75 1 71 TYR 3.50 -2.36 1 72 ALA 4.27 -1.61 1 73 ASN 3.81 -0.41 1 74 MET 6.51 -2.21 1 76 ARG 5.17 -2.19 1 78 LEU 2.14 -1.65 1 79 MET 2.92 -0.92 1 80 ALA 0.37 -0.83 1 81 LEU 1.19 -1.11 1 82 LYS 0.30 -1.72 1 83 VAL -1.91 0.42 1 85 THR -0.44 0.21 1 86 THR 5.16 -1.48 1 87 GLU 1.95 -0.56 1 88 LYS -1.61 0.42 1 90 THR 1.38 -1.53 1 91 VAL -1.06 -0.15 1 92 THR -1.46 0.28 1 93 VAL 0.68 -0.87 1 94 ASN -0.18 -1.32 1 95 PHE 4.13 0.17 1 96 ARG 6.07 -2.01 1 97 LYS 4.35 -2.01 1 99 LEU 3.40 -0.97 1 100 LEU 5.19 -2.13 1 101 ASN 4.23 -1.53 1 102 ARG 3.90 -3.79 1 104 GLN 5.32 -2.58 1 105 LYS 4.31 -2.16 1 106 GLU 2.92 -1.45 1 107 PHE 3.55 -3.00 1 108 GLU 3.49 -1.59 1 115 GLU 3.56 -1.21 1 116 VAL 6.32 -2.50 1 117 PHE 3.89 -3.49 1 118 GLU 3.91 -1.40 1 119 LYS 4.83 -1.84 1 120 LYS 5.61 -3.81 1 122 LYS 3.32 -2.40 1 123 GLU 1.10 0.97 1 124 MET 7.33 -4.01 1 125 ASP 3.36 -1.28 1 126 GLU -0.46 -0.72 1 127 ALA 1.34 -1.27 1 128 ALA 1.07 0.33 1 129 THR -5.86 2.47 1 130 ALA 3.84 -1.85 1 131 GLU 4.72 -1.87 1 132 GLU 2.30 -0.43 1 133 ARG 5.90 -1.66 1 135 ARG 4.56 -1.87 1 136 LEU 4.05 -1.84 1 138 GLU 3.64 -1.30 1 139 GLU 0.98 1.03 1 141 GLU 3.64 -1.30 1 142 GLU 0.98 1.03 1 143 ALA -1.51 0.27 1 144 ARG 6.66 -1.40 1 146 ILE 4.81 -1.26 1 147 ALA 3.37 -1.24 1 148 ARG 4.58 -1.93 1 149 ARG 5.47 -1.95 1 150 ARG 5.70 -2.67 1 151 SER 3.92 -1.06 1 152 LEU 5.16 -2.85 1 154 ASN 4.40 -0.49 1 155 ILE 6.34 -1.78 1 156 LYS 4.81 -1.30 1 157 PHE 3.40 -1.97 1 158 ILE 7.17 -2.80 1 160 GLU 0.23 1.24 1 161 LEU 3.17 -1.79 1 162 PHE 3.88 -0.55 1 163 LYS 4.44 -1.69 1 164 LEU -0.07 -1.27 1 165 LYS -0.13 0.10 1 166 MET -0.36 1.10 1 167 LEU -5.74 2.70 1 168 THR -2.71 0.63 1 169 GLU 4.74 -1.80 1 170 ALA 4.73 -1.62 1 171 ILE 2.39 -1.84 1 172 MET 4.08 -3.68 1 173 HIS 4.90 0.92 1 174 ASP 5.38 -2.14 1 176 VAL 7.47 -2.79 1 180 LEU 3.35 -1.43 1 181 LYS 3.92 -1.76 1 182 ASN 2.86 -1.41 1 183 HIS 2.86 -0.88 1 184 ASP -2.75 0.89 1 185 GLU 4.52 -1.35 1 186 GLU 4.64 -1.59 1 187 SER 6.54 -2.23 1 188 LEU 4.06 -1.87 1 189 GLU 5.17 -1.87 1 191 LEU 4.66 -2.24 1 193 ARG 5.52 -2.40 1 194 LEU 2.95 -0.49 1 195 LEU 3.16 -1.10 1 197 THR 3.34 -0.56 1 198 ILE -1.19 0.36 1 206 LYS 7.02 -4.31 1 207 ALA 4.16 -1.98 1 208 LYS 6.87 -4.06 1 212 ASP 5.01 -2.10 1 213 GLN 5.39 -2.56 1 214 TYR 2.29 -2.87 1 215 PHE 6.00 -2.18 1 216 ASN 4.13 -1.23 1 217 GLN 5.19 -1.95 1 219 GLU 4.30 -1.19 1 220 LYS 5.32 -2.04 1 221 ILE 5.39 -1.75 1 222 ILE 5.92 -1.32 1 230 ARG 4.49 -1.53 1 231 ILE 3.33 -4.36 1 232 ARG 6.59 -2.09 1 233 PHE 4.75 -2.49 1 234 MET 3.97 -0.02 1 235 LEU 3.09 -0.79 1 236 GLN 3.99 -1.90 1 237 ASP 4.70 -1.74 1 238 VAL 6.10 -2.49 1 239 LEU 6.39 -2.56 1 240 ASP 4.46 -2.15 1 241 LEU 3.73 -1.90 1 242 ARG 5.82 -2.83 1 244 SER -0.04 -1.33 1 245 ASN 3.79 -2.52 1 246 TRP 5.29 -4.92 1 247 VAL -1.73 -0.96 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18738_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -2.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.42 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 2.97 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 THR -5.86 -0.08 0 46 THR -6.86 -0.18 0 11 SER 3.36 1.96 1 12 LYS 4.62 3.09 1 13 THR 6.07 -0.37 1 14 GLN 5.01 2.90 1 15 ASP 3.12 1.29 1 16 LEU 5.70 1.20 1 17 PHE 3.80 2.50 1 18 ARG 5.56 3.41 1 19 ARG 4.79 3.50 1 20 VAL 7.54 1.14 1 21 ARG 6.28 1.97 1 22 SER 4.33 2.60 1 23 ILE 5.09 1.76 1 24 LEU 3.70 1.33 1 25 ASN 2.70 1.07 1 26 LYS -0.70 -0.21 1 27 LEU 3.05 -2.53 1 30 GLN 4.21 1.29 1 31 MET -0.52 -0.18 1 32 PHE 4.87 0.28 1 37 LYS 4.91 2.58 1 38 GLN 4.29 3.52 1 39 VAL 5.83 1.55 1 40 THR 3.67 0.33 1 41 GLN 0.40 0.44 1 42 LEU 0.27 -0.62 1 43 ALA 1.61 -2.09 1 44 ILE 3.41 3.35 1 45 ASP 5.91 -0.58 1 47 GLU 5.08 0.87 1 49 ARG 6.00 1.06 1 50 LEU 4.63 0.49 1 51 LYS 5.58 2.91 1 54 ILE 6.33 1.37 1 57 ILE 6.32 0.51 1 58 PHE 5.32 1.82 1 59 GLU 3.43 2.93 1 60 LYS 2.94 0.71 1 61 ALA 4.75 1.84 1 62 ILE 5.02 0.37 1 63 SER 1.38 -0.29 1 66 ASN 4.49 2.17 1 67 PHE -1.18 -0.47 1 69 VAL 6.04 1.44 1 70 ALA 4.40 1.88 1 71 TYR 3.50 2.83 1 72 ALA 4.27 1.47 1 74 MET 6.51 1.48 1 76 ARG 5.17 2.51 1 78 LEU 2.14 -0.38 1 79 MET 2.92 -0.71 1 80 ALA 0.37 0.42 1 81 LEU 1.19 -0.80 1 82 LYS 0.30 -1.27 1 85 THR -0.44 0.32 1 86 THR 5.16 1.78 1 87 GLU 1.95 0.01 1 90 THR 1.38 -0.59 1 91 VAL -1.06 -1.00 1 92 THR -1.46 0.68 1 93 VAL 0.68 -0.96 1 94 ASN -0.18 -0.39 1 95 PHE 4.13 0.46 1 99 LEU 3.40 1.90 1 101 ASN 4.23 4.00 1 102 ARG 3.90 1.51 1 104 GLN 5.32 2.68 1 105 LYS 4.31 2.80 1 106 GLU 2.92 2.84 1 107 PHE 3.55 3.76 1 115 GLU 3.56 2.79 1 116 VAL 6.32 3.05 1 117 PHE 3.89 2.90 1 119 LYS 4.83 2.71 1 122 LYS 3.32 2.61 1 123 GLU 1.10 2.20 1 124 MET 7.33 2.50 1 125 ASP 3.36 1.65 1 126 GLU -0.46 -0.35 1 128 ALA 1.07 0.52 1 130 ALA 3.84 1.99 1 133 ARG 5.90 2.04 1 135 ARG 4.56 2.66 1 141 GLU 3.64 1.93 1 142 GLU 0.98 0.06 1 143 ALA -1.51 -0.27 1 146 ILE 4.81 2.70 1 147 ALA 3.37 2.04 1 148 ARG 4.58 2.32 1 150 ARG 5.70 1.44 1 151 SER 3.92 3.69 1 152 LEU 5.16 2.52 1 157 PHE 3.40 1.59 1 158 ILE 7.17 2.28 1 160 GLU 0.23 1.25 1 161 LEU 3.17 2.20 1 162 PHE 3.88 4.43 1 163 LYS 4.44 1.06 1 164 LEU -0.07 -2.38 1 165 LYS -0.13 0.59 1 167 LEU -5.74 -2.26 1 168 THR -2.71 -0.58 1 169 GLU 4.74 1.65 1 170 ALA 4.73 2.55 1 171 ILE 2.39 0.95 1 172 MET 4.08 3.17 1 173 HIS 4.90 3.16 1 174 ASP 5.38 3.34 1 182 ASN 2.86 1.37 1 183 HIS 2.86 -1.77 1 184 ASP -2.75 -0.73 1 186 GLU 4.64 4.12 1 188 LEU 4.06 1.47 1 189 GLU 5.17 1.34 1 191 LEU 4.66 0.26 1 193 ARG 5.52 2.83 1 194 LEU 2.95 1.60 1 195 LEU 3.16 1.43 1 197 THR 3.34 1.72 1 198 ILE -1.19 0.29 1 206 LYS 7.02 1.79 1 207 ALA 4.16 3.69 1 212 ASP 5.01 2.79 1 213 GLN 5.39 3.32 1 214 TYR 2.29 3.19 1 215 PHE 6.00 2.68 1 216 ASN 4.13 3.26 1 217 GLN 5.19 3.18 1 220 LYS 5.32 2.16 1 221 ILE 5.39 3.50 1 230 ARG 4.49 2.61 1 231 ILE 3.33 0.81 1 232 ARG 6.59 2.03 1 233 PHE 4.75 2.40 1 234 MET 3.97 3.10 1 235 LEU 3.09 1.13 1 236 GLN 3.99 1.66 1 237 ASP 4.70 3.01 1 238 VAL 6.10 1.35 1 239 LEU 6.39 3.33 1 241 LEU 3.73 0.39 1 242 ARG 5.82 3.97 1 244 SER -0.04 0.23 1 245 ASN 3.79 -1.35 1 246 TRP 5.29 -1.23 1 stop_ save_