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 bmr26805_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 -2.41 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -1.05 _LACS_plot.Line_2_terminator_val_x_2 9.50 _LACS_plot.Line_2_terminator_val_y_2 7.11 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 SER -5.40 -0.32 0 13 ALA 3.77 2.92 1 14 VAL 5.98 5.04 1 15 VAL 6.88 5.19 1 16 ALA 5.09 3.92 1 17 GLU 3.62 3.46 1 18 PHE 3.34 2.81 1 19 LEU 2.55 2.96 1 20 ALA 1.58 2.56 1 21 THR 9.50 7.42 1 22 THR 7.29 5.11 1 23 LEU 3.74 3.59 1 24 PHE 3.21 2.17 1 25 VAL 7.34 5.48 1 26 PHE 4.13 4.51 1 27 ILE 3.49 3.44 1 29 ILE 7.16 4.49 1 31 SER 3.26 3.85 1 32 ALA 3.54 2.61 1 33 LEU 0.61 0.62 1 35 PHE 3.85 0.85 1 36 LYS 0.58 -0.03 1 37 TYR 0.42 1.11 1 39 VAL 2.81 1.75 1 44 THR -0.10 0.81 1 45 ALA -1.34 0.05 1 46 VAL -3.87 -1.87 1 47 GLN -1.67 -0.74 1 48 ASP -3.94 -2.19 1 49 ASN 6.31 4.12 1 50 VAL 7.31 5.44 1 51 LYS 1.42 2.73 1 52 VAL 5.49 5.02 1 53 SER 7.12 5.70 1 54 LEU 2.55 2.00 1 55 ALA 4.65 3.40 1 56 PHE 4.54 3.96 1 58 LEU 4.17 2.00 1 60 ILE 5.06 0.83 1 61 ALA 3.04 2.66 1 62 THR 5.17 5.12 1 63 LEU 3.98 2.15 1 64 ALA 5.09 2.78 1 65 GLN 6.46 3.75 1 66 SER 3.81 3.69 1 67 VAL -3.23 -2.58 1 69 HIS 3.21 2.90 1 70 ILE 1.33 0.46 1 73 ALA -0.20 -1.03 1 74 HIS 1.04 3.62 1 75 LEU 5.34 0.89 1 76 ASN -1.52 0.45 1 78 ALA 2.67 2.45 1 79 VAL 4.88 4.53 1 80 THR 6.56 5.93 1 81 LEU 4.15 3.16 1 93 ARG 5.54 4.68 1 94 ALA 1.80 2.38 1 95 LEU 3.34 3.35 1 96 MET 1.81 0.99 1 98 ILE 5.48 4.89 1 99 ILE 6.37 5.99 1 100 ALA 3.30 4.02 1 101 GLN 4.61 2.81 1 103 VAL 6.80 5.44 1 105 ALA 2.81 3.48 1 106 ILE 5.68 5.66 1 107 VAL 7.09 5.57 1 108 ALA 0.35 3.22 1 110 ALA 3.79 3.17 1 112 LEU 4.29 2.95 1 113 SER 4.43 3.28 1 115 ILE 4.03 1.48 1 116 THR 0.44 -1.08 1 117 SER 3.35 3.04 1 118 SER 2.25 2.03 1 119 LEU 0.89 -0.36 1 120 THR -0.09 0.02 1 122 ASN -0.36 -0.24 1 123 SER 0.15 0.27 1 124 LEU 3.42 0.77 1 126 ARG 1.16 1.65 1 127 ASN 3.33 3.13 1 128 ASP -2.46 -1.89 1 129 LEU 0.79 -0.35 1 130 ALA -2.28 -0.91 1 133 VAL 0.01 -0.54 1 134 ASN -1.94 -1.82 1 137 GLN 4.55 2.96 1 139 LEU 3.62 3.18 1 141 ILE 4.86 1.62 1 142 GLU 2.43 3.11 1 143 ILE 5.20 4.50 1 144 ILE 6.25 3.61 1 146 THR 6.05 4.70 1 147 LEU 3.03 4.50 1 148 GLN 7.79 3.09 1 149 LEU 1.74 1.59 1 150 VAL 7.19 5.26 1 151 LEU 3.85 3.50 1 153 VAL 7.14 6.05 1 154 LEU 4.22 2.90 1 155 ALA -0.13 1.82 1 156 THR 5.35 4.78 1 157 THR 0.03 -0.10 1 158 ASP -0.23 0.08 1 159 ARG 2.83 1.61 1 167 SER -1.71 -2.45 1 168 ALA 7.99 5.75 1 170 LEU 3.23 2.28 1 171 ALA 3.91 3.04 1 172 ILE 4.83 3.57 1 174 LEU 5.16 2.59 1 175 SER 3.40 2.88 1 176 VAL 7.08 5.88 1 177 ALA 4.79 3.00 1 178 LEU 3.31 2.91 1 180 HIS 6.67 6.58 1 181 LEU 4.57 2.61 1 182 LEU 3.58 2.83 1 183 ALA 1.57 3.38 1 184 ILE 8.05 6.52 1 185 ASP 1.07 3.03 1 186 TYR -1.01 2.01 1 187 THR -1.81 -0.81 1 191 ILE -1.75 0.26 1 192 ASN 2.13 1.29 1 194 ALA 3.45 2.72 1 195 ARG 4.12 1.80 1 196 SER 4.85 3.81 1 197 PHE 2.10 3.64 1 200 ALA 4.05 2.85 1 201 VAL 5.08 4.13 1 205 ASN -0.28 -0.65 1 206 PHE 1.57 0.79 1 207 SER 3.48 2.75 1 208 ASN 4.11 2.81 1 210 TRP 3.60 2.03 1 211 ILE 5.45 4.50 1 212 PHE 4.92 2.31 1 213 TRP 0.68 2.41 1 214 VAL 5.57 5.22 1 217 PHE 3.76 0.87 1 218 ILE 6.71 5.45 1 221 ALA 3.69 2.95 1 222 LEU 2.32 2.40 1 223 ALA 3.81 3.69 1 224 VAL 5.81 4.57 1 225 LEU 3.50 3.40 1 226 ILE 4.67 4.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26805_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 2.99 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.95 _LACS_plot.Line_2_terminator_val_x_2 9.50 _LACS_plot.Line_2_terminator_val_y_2 -2.39 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 SER -5.40 5.08 0 13 ALA 3.77 -0.85 1 14 VAL 5.98 -0.94 1 15 VAL 6.88 -1.69 1 16 ALA 5.09 -1.17 1 17 GLU 3.62 -0.16 1 18 PHE 3.34 -0.53 1 19 LEU 2.55 0.41 1 20 ALA 1.58 0.98 1 21 THR 9.50 -2.08 1 22 THR 7.29 -2.18 1 23 LEU 3.74 -0.15 1 24 PHE 3.21 -1.04 1 25 VAL 7.34 -1.86 1 26 PHE 4.13 0.38 1 27 ILE 3.49 -0.05 1 29 ILE 7.16 -2.67 1 31 SER 3.26 0.59 1 32 ALA 3.54 -0.93 1 33 LEU 0.61 0.01 1 35 PHE 3.85 -3.00 1 36 LYS 0.58 -0.61 1 37 TYR 0.42 0.69 1 39 VAL 2.81 -1.06 1 44 THR -0.10 0.91 1 45 ALA -1.34 1.39 1 46 VAL -3.87 2.00 1 47 GLN -1.67 0.93 1 48 ASP -3.94 1.75 1 49 ASN 6.31 -2.19 1 50 VAL 7.31 -1.87 1 51 LYS 1.42 1.31 1 52 VAL 5.49 -0.47 1 53 SER 7.12 -1.42 1 54 LEU 2.55 -0.55 1 55 ALA 4.65 -1.25 1 56 PHE 4.54 -0.58 1 58 LEU 4.17 -2.17 1 60 ILE 5.06 -4.23 1 61 ALA 3.04 -0.38 1 62 THR 5.17 -0.05 1 63 LEU 3.98 -1.83 1 64 ALA 5.09 -2.31 1 65 GLN 6.46 -2.71 1 66 SER 3.81 -0.12 1 67 VAL -3.23 0.65 1 69 HIS 3.21 -0.31 1 70 ILE 1.33 -0.87 1 73 ALA -0.20 -0.83 1 74 HIS 1.04 2.58 1 75 LEU 5.34 -4.45 1 76 ASN -1.52 1.97 1 78 ALA 2.67 -0.22 1 79 VAL 4.88 -0.35 1 80 THR 6.56 -0.63 1 81 LEU 4.15 -0.99 1 93 ARG 5.54 -0.86 1 94 ALA 1.80 0.58 1 95 LEU 3.34 0.01 1 96 MET 1.81 -0.82 1 98 ILE 5.48 -0.59 1 99 ILE 6.37 -0.38 1 100 ALA 3.30 0.72 1 101 GLN 4.61 -1.80 1 103 VAL 6.80 -1.36 1 105 ALA 2.81 0.67 1 106 ILE 5.68 -0.02 1 107 VAL 7.09 -1.52 1 108 ALA 0.35 2.87 1 110 ALA 3.79 -0.62 1 112 LEU 4.29 -1.34 1 113 SER 4.43 -1.15 1 115 ILE 4.03 -2.55 1 116 THR 0.44 -1.52 1 117 SER 3.35 -0.31 1 118 SER 2.25 -0.22 1 119 LEU 0.89 -1.25 1 120 THR -0.09 0.11 1 122 ASN -0.36 0.12 1 123 SER 0.15 0.12 1 124 LEU 3.42 -2.65 1 126 ARG 1.16 0.49 1 127 ASN 3.33 -0.20 1 128 ASP -2.46 0.57 1 129 LEU 0.79 -1.14 1 130 ALA -2.28 1.37 1 133 VAL 0.01 -0.55 1 134 ASN -1.94 0.12 1 137 GLN 4.55 -1.59 1 139 LEU 3.62 -0.44 1 141 ILE 4.86 -3.24 1 142 GLU 2.43 0.68 1 143 ILE 5.20 -0.70 1 144 ILE 6.25 -2.64 1 146 THR 6.05 -1.35 1 147 LEU 3.03 1.47 1 148 GLN 7.79 -4.70 1 149 LEU 1.74 -0.15 1 150 VAL 7.19 -1.93 1 151 LEU 3.85 -0.35 1 153 VAL 7.14 -1.09 1 154 LEU 4.22 -1.32 1 155 ALA -0.13 1.95 1 156 THR 5.35 -0.57 1 157 THR 0.03 -0.13 1 158 ASP -0.23 0.31 1 159 ARG 2.83 -1.22 1 167 SER -1.71 -0.74 1 168 ALA 7.99 -2.24 1 170 LEU 3.23 -0.95 1 171 ALA 3.91 -0.87 1 172 ILE 4.83 -1.26 1 174 LEU 5.16 -2.57 1 175 SER 3.40 -0.52 1 176 VAL 7.08 -1.20 1 177 ALA 4.79 -1.79 1 178 LEU 3.31 -0.40 1 180 HIS 6.67 -0.09 1 181 LEU 4.57 -1.96 1 182 LEU 3.58 -0.75 1 183 ALA 1.57 1.81 1 184 ILE 8.05 -1.53 1 185 ASP 1.07 1.96 1 186 TYR -1.01 3.02 1 187 THR -1.81 1.00 1 191 ILE -1.75 2.01 1 192 ASN 2.13 -0.84 1 194 ALA 3.45 -0.73 1 195 ARG 4.12 -2.32 1 196 SER 4.85 -1.04 1 197 PHE 2.10 1.54 1 200 ALA 4.05 -1.20 1 201 VAL 5.08 -0.95 1 205 ASN -0.28 -0.37 1 206 PHE 1.57 -0.78 1 207 SER 3.48 -0.73 1 208 ASN 4.11 -1.30 1 210 TRP 3.60 -1.57 1 211 ILE 5.45 -0.95 1 212 PHE 4.92 -2.61 1 213 TRP 0.68 1.73 1 214 VAL 5.57 -0.35 1 217 PHE 3.76 -2.89 1 218 ILE 6.71 -1.26 1 221 ALA 3.69 -0.74 1 222 LEU 2.32 0.08 1 223 ALA 3.81 -0.12 1 224 VAL 5.81 -1.24 1 225 LEU 3.50 -0.10 1 226 ILE 4.67 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26805_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.40 _LACS_plot.Line_1_terminator_val_y_1 -0.35 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 9.50 _LACS_plot.Line_2_terminator_val_y_2 2.26 _LACS_plot.Y_axis_chem_shift_offset -0.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 SER -5.40 1.91 0 13 ALA 3.77 1.10 1 14 VAL 5.98 2.15 1 15 VAL 6.88 1.80 1 16 ALA 5.09 1.74 1 17 GLU 3.62 4.06 1 18 PHE 3.34 2.15 1 19 LEU 2.55 0.95 1 20 ALA 1.58 1.70 1 21 THR 9.50 1.61 1 22 THR 7.29 1.97 1 23 LEU 3.74 -0.25 1 24 PHE 3.21 1.12 1 25 VAL 7.34 0.22 1 26 PHE 4.13 1.22 1 27 ILE 3.49 1.15 1 29 ILE 7.16 1.98 1 31 SER 3.26 4.23 1 32 ALA 3.54 2.13 1 33 LEU 0.61 0.52 1 35 PHE 3.85 -0.07 1 36 LYS 0.58 -2.29 1 37 TYR 0.42 0.11 1 39 VAL 2.81 1.40 1 44 THR -0.10 -0.05 1 45 ALA -1.34 -0.40 1 46 VAL -3.87 -1.64 1 47 GLN -1.67 -0.95 1 48 ASP -3.94 -0.27 1 49 ASN 6.31 4.67 1 50 VAL 7.31 -0.16 1 51 LYS 1.42 0.46 1 52 VAL 5.49 1.90 1 53 SER 7.12 2.35 1 54 LEU 2.55 0.49 1 55 ALA 4.65 2.74 1 56 PHE 4.54 3.51 1 58 LEU 4.17 4.03 1 60 ILE 5.06 1.44 1 61 ALA 3.04 3.45 1 62 THR 5.17 2.89 1 63 LEU 3.98 1.80 1 64 ALA 5.09 3.97 1 65 GLN 6.46 0.80 1 66 SER 3.81 -0.87 1 67 VAL -3.23 2.99 1 69 HIS 3.21 1.39 1 70 ILE 1.33 0.58 1 73 ALA -0.20 -3.26 1 74 HIS 1.04 2.12 1 75 LEU 5.34 -1.30 1 76 ASN -1.52 1.68 1 78 ALA 2.67 1.85 1 79 VAL 4.88 1.01 1 80 THR 6.56 1.67 1 81 LEU 4.15 0.90 1 93 ARG 5.54 0.97 1 94 ALA 1.80 1.22 1 95 LEU 3.34 0.71 1 96 MET 1.81 3.12 1 98 ILE 5.48 3.44 1 99 ILE 6.37 1.03 1 100 ALA 3.30 2.97 1 101 GLN 4.61 3.68 1 103 VAL 6.80 2.14 1 105 ALA 2.81 3.61 1 106 ILE 5.68 0.86 1 107 VAL 7.09 1.72 1 108 ALA 0.35 2.23 1 112 LEU 4.29 2.71 1 113 SER 4.43 1.65 1 115 ILE 4.03 0.20 1 116 THR 0.44 1.69 1 117 SER 3.35 1.63 1 118 SER 2.25 -0.10 1 119 LEU 0.89 -0.47 1 120 THR -0.09 1.18 1 122 ASN -0.36 1.28 1 123 SER 0.15 0.47 1 124 LEU 3.42 -2.05 1 126 ARG 1.16 0.56 1 127 ASN 3.33 -2.73 1 128 ASP -2.46 -1.53 1 129 LEU 0.79 0.33 1 130 ALA -2.28 -0.60 1 133 VAL 0.01 -1.07 1 134 ASN -1.94 1.71 1 137 GLN 4.55 2.47 1 139 LEU 3.62 1.26 1 141 ILE 4.86 1.42 1 142 GLU 2.43 4.08 1 143 ILE 5.20 1.90 1 144 ILE 6.25 1.66 1 146 THR 6.05 1.30 1 147 LEU 3.03 1.90 1 148 GLN 7.79 -0.64 1 149 LEU 1.74 0.66 1 150 VAL 7.19 1.38 1 151 LEU 3.85 -1.32 1 153 VAL 7.14 3.31 1 154 LEU 4.22 1.22 1 155 ALA -0.13 2.96 1 156 THR 5.35 0.38 1 157 THR 0.03 -0.65 1 158 ASP -0.23 2.18 1 159 ARG 2.83 0.85 1 167 SER -1.71 2.08 1 168 ALA 7.99 0.14 1 170 LEU 3.23 0.21 1 171 ALA 3.91 3.26 1 172 ILE 4.83 2.53 1 174 LEU 5.16 1.50 1 175 SER 3.40 5.38 1 176 VAL 7.08 4.66 1 177 ALA 4.79 1.76 1 178 LEU 3.31 0.49 1 180 HIS 6.67 3.49 1 181 LEU 4.57 1.90 1 182 LEU 3.58 1.14 1 183 ALA 1.57 2.27 1 184 ILE 8.05 2.03 1 185 ASP 1.07 -2.11 1 186 TYR -1.01 1.31 1 187 THR -1.81 1.03 1 191 ILE -1.75 -1.80 1 192 ASN 2.13 0.31 1 194 ALA 3.45 0.03 1 195 ARG 4.12 5.43 1 196 SER 4.85 1.74 1 197 PHE 2.10 1.42 1 200 ALA 4.05 -0.91 1 201 VAL 5.08 2.63 1 205 ASN -0.28 0.01 1 206 PHE 1.57 0.51 1 207 SER 3.48 2.61 1 208 ASN 4.11 0.49 1 210 TRP 3.60 1.59 1 211 ILE 5.45 -0.04 1 212 PHE 4.92 -1.55 1 213 TRP 0.68 -0.44 1 214 VAL 5.57 0.88 1 217 PHE 3.76 2.20 1 218 ILE 6.71 2.09 1 221 ALA 3.69 2.15 1 222 LEU 2.32 1.38 1 223 ALA 3.81 0.90 1 224 VAL 5.81 2.07 1 225 LEU 3.50 1.77 1 226 ILE 4.67 0.56 1 stop_ save_