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 bmr26602_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.78 _LACS_plot.Line_1_terminator_val_y_1 -3.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.27 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 2.62 _LACS_plot.Y_axis_chem_shift_offset 0.97 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 MET -7.11 -0.82 0 150 ASP -9.78 -2.69 0 10 LYS -2.93 -1.71 1 11 VAL -0.68 -2.06 1 12 ALA -6.96 -3.75 1 13 VAL -3.65 -3.56 1 14 THR 2.45 1.10 1 17 LYS -1.62 -2.09 1 18 VAL -3.74 -1.95 1 19 THR -0.42 -0.66 1 20 LEU -1.17 -2.32 1 21 SER -1.18 -0.81 1 23 ASN -5.34 -1.88 1 24 GLN -3.62 -3.42 1 25 THR -0.65 -2.66 1 26 ASN 1.35 -0.35 1 27 ASN 2.48 0.04 1 28 HIS -4.71 -1.30 1 30 ASN -0.67 -1.64 1 32 TYR -4.22 0.00 1 33 TRP -4.62 -0.63 1 34 TYR -6.63 -1.82 1 35 ARG -2.41 -2.01 1 45 ILE 2.63 2.80 1 46 HIS -4.20 -2.41 1 47 TYR -2.05 -2.63 1 48 SER -1.18 -3.00 1 49 TYR 2.92 0.52 1 51 ALA -2.30 -2.22 1 53 SER -2.45 -1.66 1 54 THR -4.64 -3.76 1 55 GLU 1.02 0.55 1 56 LYS -4.67 -1.85 1 63 TYR -4.21 -2.33 1 64 LYS -5.32 -2.92 1 65 ALA -2.01 -1.78 1 66 SER -3.99 -4.92 1 67 ARG -4.40 -2.99 1 69 SER 3.29 1.73 1 70 GLN 2.44 1.92 1 71 GLU -4.58 -1.05 1 72 ASN -5.99 -5.00 1 73 PHE -1.97 -0.93 1 74 SER -1.88 -2.88 1 75 LEU -1.97 -0.70 1 76 ILE 3.05 -0.61 1 77 LEU 2.27 1.68 1 78 GLU -0.44 -1.52 1 79 LEU 1.70 -0.33 1 80 ALA -3.63 -3.87 1 81 THR 2.15 0.00 1 84 GLN 2.27 1.95 1 85 THR 2.70 -0.69 1 86 SER -0.13 -1.21 1 87 VAL -3.73 -1.76 1 88 TYR -3.59 0.20 1 89 PHE -4.80 -1.55 1 92 SER -0.61 -1.35 1 99 GLU -2.15 -1.50 1 100 GLN -0.50 -1.65 1 101 PHE -1.19 0.53 1 102 PHE 2.39 -0.01 1 107 ARG -4.44 -2.64 1 108 LEU 0.52 0.13 1 109 THR -0.34 -2.24 1 110 VAL -4.72 -2.85 1 111 LEU 2.18 1.30 1 112 GLU -2.74 -1.71 1 113 ASP 4.36 1.96 1 115 ARG 0.59 0.36 1 116 ASN 4.89 1.82 1 117 VAL -5.73 -3.10 1 118 THR 0.70 -0.95 1 121 LYS -1.54 -1.30 1 122 VAL -3.68 -1.90 1 123 SER -4.51 -2.49 1 124 LEU -1.30 -1.86 1 125 PHE -1.55 -1.69 1 128 SER 4.80 2.70 1 129 LYS 3.23 1.43 1 130 ALA 2.86 1.68 1 131 GLU 4.09 2.27 1 132 ILE 3.00 1.34 1 133 ALA 1.34 0.89 1 134 ASN -6.25 -0.97 1 135 LYS -4.59 -2.86 1 138 ALA 1.50 -0.66 1 139 THR -0.80 -0.55 1 140 LEU -2.66 -1.83 1 141 VAL -4.57 -2.11 1 143 LEU -4.81 -3.89 1 144 ALA -2.90 -1.25 1 145 ARG -5.96 -4.68 1 147 PHE -1.98 0.26 1 148 PHE 3.95 -1.06 1 151 HIS -7.02 -4.71 1 152 VAL -4.01 -1.58 1 153 GLU -2.66 -0.64 1 154 LEU -4.28 -1.99 1 155 SER -4.23 -1.57 1 156 TRP -2.62 -2.69 1 157 TRP -1.76 -2.33 1 158 VAL 3.84 1.10 1 159 ASN -3.32 -2.39 1 161 LYS 1.66 -0.85 1 162 GLU -3.28 -2.45 1 163 VAL -0.86 -1.21 1 167 VAL -1.89 -2.32 1 168 SER -0.68 -1.22 1 169 THR 0.78 -0.77 1 170 ASP -3.93 -2.33 1 172 GLN -0.35 -0.83 1 173 ALA -2.47 -1.94 1 174 TYR 2.09 -0.30 1 175 LYS 0.30 0.30 1 176 GLU -0.59 -1.69 1 177 SER -1.74 -3.56 1 179 TYR -0.31 -0.16 1 180 SER -4.68 -1.35 1 181 TYR -4.65 -1.99 1 182 SER -4.11 0.27 1 183 LEU -6.03 -2.34 1 184 SER -2.37 -2.22 1 185 SER -3.01 -1.95 1 186 ARG -0.22 -2.70 1 187 LEU -1.67 -2.01 1 188 ARG -6.46 -4.45 1 189 VAL 0.36 -0.37 1 190 SER 5.04 2.87 1 191 ALA 4.42 2.78 1 192 THR 2.78 3.03 1 193 PHE 1.17 0.81 1 194 TRP 0.09 -1.22 1 195 HIS -3.31 -4.05 1 196 ASN 1.58 -0.60 1 198 ARG -0.09 -1.20 1 199 ASN -4.83 0.05 1 200 HIS -3.60 -1.95 1 201 PHE -5.22 -1.80 1 202 ARG -4.71 -2.00 1 204 GLN -0.75 -2.06 1 205 VAL -0.96 -1.27 1 206 GLN -3.89 -2.68 1 207 PHE 0.12 0.14 1 208 HIS 0.19 -1.11 1 210 LEU -2.92 -1.81 1 211 SER 1.50 0.10 1 213 GLU 0.07 0.44 1 214 ASP 0.90 -0.53 1 215 LYS -7.17 -4.36 1 216 TRP -1.87 -2.75 1 220 SER -1.75 -2.39 1 224 VAL 2.17 1.19 1 225 THR -3.39 -1.42 1 226 GLN -2.32 -1.96 1 227 ASN -1.79 -1.26 1 228 ILE -4.38 -1.72 1 229 SER -5.01 -1.80 1 230 ALA -6.90 -2.99 1 231 GLU -3.63 -1.01 1 232 ALA -2.93 -1.45 1 233 TRP -2.74 -2.12 1 235 ARG 0.37 -0.48 1 236 ALA 0.28 0.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26602_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.78 _LACS_plot.Line_1_terminator_val_y_1 6.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.27 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 -2.42 _LACS_plot.Y_axis_chem_shift_offset 0.97 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 MET -7.11 6.29 0 150 ASP -9.78 7.09 0 10 LYS -2.93 1.22 1 11 VAL -0.68 -1.38 1 12 ALA -6.96 3.21 1 13 VAL -3.65 0.09 1 14 THR 2.45 -1.35 1 17 LYS -1.62 -0.47 1 18 VAL -3.74 1.79 1 19 THR -0.42 -0.24 1 20 LEU -1.17 -1.15 1 21 SER -1.18 0.37 1 23 ASN -5.34 3.46 1 24 GLN -3.62 0.20 1 25 THR -0.65 -2.01 1 26 ASN 1.35 -1.70 1 27 ASN 2.48 -2.44 1 28 HIS -4.71 3.41 1 30 ASN -0.67 -0.97 1 32 TYR -4.22 4.22 1 33 TRP -4.62 3.99 1 34 TYR -6.63 4.81 1 35 ARG -2.41 0.40 1 45 ILE 2.63 0.17 1 46 HIS -4.20 1.79 1 47 TYR -2.05 -0.58 1 48 SER -1.18 -1.82 1 49 TYR 2.92 -2.40 1 51 ALA -2.30 0.08 1 53 SER -2.45 0.79 1 54 THR -4.64 0.88 1 55 GLU 1.02 -0.47 1 56 LYS -4.67 2.82 1 63 TYR -4.21 1.88 1 64 LYS -5.32 2.40 1 65 ALA -2.01 0.23 1 66 SER -3.99 -0.93 1 67 ARG -4.40 1.41 1 69 SER 3.29 -1.56 1 70 GLN 2.44 -0.52 1 71 GLU -4.58 3.53 1 72 ASN -5.99 0.99 1 73 PHE -1.97 1.04 1 74 SER -1.88 -1.00 1 75 LEU -1.97 1.27 1 76 ILE 3.05 -3.66 1 77 LEU 2.27 -0.59 1 78 GLU -0.44 -1.08 1 79 LEU 1.70 -2.03 1 80 ALA -3.63 -0.24 1 81 THR 2.15 -2.15 1 84 GLN 2.27 -0.32 1 85 THR 2.70 -3.39 1 86 SER -0.13 -1.08 1 87 VAL -3.73 1.97 1 88 TYR -3.59 3.79 1 89 PHE -4.80 3.25 1 92 SER -0.61 -0.74 1 99 GLU -2.15 0.65 1 100 GLN -0.50 -1.15 1 101 PHE -1.19 1.72 1 102 PHE 2.39 -2.40 1 107 ARG -4.44 1.80 1 108 LEU 0.52 -0.39 1 109 THR -0.34 -1.90 1 110 VAL -4.72 1.87 1 111 LEU 2.18 -0.88 1 112 GLU -2.74 1.03 1 113 ASP 4.36 -2.40 1 115 ARG 0.59 -0.23 1 116 ASN 4.89 -3.07 1 117 VAL -5.73 2.63 1 118 THR 0.70 -1.65 1 121 LYS -1.54 0.24 1 122 VAL -3.68 1.78 1 123 SER -4.51 2.02 1 124 LEU -1.30 -0.56 1 125 PHE -1.55 -0.14 1 128 SER 4.80 -2.10 1 129 LYS 3.23 -1.80 1 130 ALA 2.86 -1.18 1 131 GLU 4.09 -1.82 1 132 ILE 3.00 -1.66 1 133 ALA 1.34 -0.45 1 134 ASN -6.25 5.28 1 135 LYS -4.59 1.73 1 138 ALA 1.50 -2.16 1 139 THR -0.80 0.25 1 140 LEU -2.66 0.83 1 141 VAL -4.57 2.46 1 143 LEU -4.81 0.92 1 144 ALA -2.90 1.65 1 145 ARG -5.96 1.28 1 147 PHE -1.98 2.24 1 148 PHE 3.95 -5.01 1 151 HIS -7.02 2.31 1 152 VAL -4.01 2.43 1 153 GLU -2.66 2.02 1 154 LEU -4.28 2.29 1 155 SER -4.23 2.66 1 156 TRP -2.62 -0.07 1 157 TRP -1.76 -0.57 1 158 VAL 3.84 -2.74 1 159 ASN -3.32 0.93 1 161 LYS 1.66 -2.51 1 162 GLU -3.28 0.83 1 163 VAL -0.86 -0.35 1 167 VAL -1.89 -0.43 1 168 SER -0.68 -0.54 1 169 THR 0.78 -1.55 1 170 ASP -3.93 1.60 1 172 GLN -0.35 -0.48 1 173 ALA -2.47 0.53 1 174 TYR 2.09 -2.39 1 175 LYS 0.30 0.00 1 176 GLU -0.59 -1.10 1 177 SER -1.74 -1.82 1 179 TYR -0.31 0.15 1 180 SER -4.68 3.33 1 181 TYR -4.65 2.66 1 182 SER -4.11 4.38 1 183 LEU -6.03 3.69 1 184 SER -2.37 0.15 1 185 SER -3.01 1.06 1 186 ARG -0.22 -2.48 1 187 LEU -1.67 -0.34 1 188 ARG -6.46 2.01 1 189 VAL 0.36 -0.73 1 190 SER 5.04 -2.17 1 191 ALA 4.42 -1.64 1 192 THR 2.78 0.25 1 193 PHE 1.17 -0.36 1 194 TRP 0.09 -1.31 1 195 HIS -3.31 -0.74 1 196 ASN 1.58 -2.18 1 198 ARG -0.09 -1.11 1 199 ASN -4.83 4.88 1 200 HIS -3.60 1.65 1 201 PHE -5.22 3.42 1 202 ARG -4.71 2.71 1 204 GLN -0.75 -1.31 1 205 VAL -0.96 -0.31 1 206 GLN -3.89 1.21 1 207 PHE 0.12 0.02 1 208 HIS 0.19 -1.30 1 210 LEU -2.92 1.11 1 211 SER 1.50 -1.40 1 213 GLU 0.07 0.37 1 214 ASP 0.90 -1.43 1 215 LYS -7.17 2.81 1 216 TRP -1.87 -0.88 1 220 SER -1.75 -0.64 1 224 VAL 2.17 -0.98 1 225 THR -3.39 1.97 1 226 GLN -2.32 0.36 1 227 ASN -1.79 0.53 1 228 ILE -4.38 2.66 1 229 SER -5.01 3.21 1 230 ALA -6.90 3.91 1 231 GLU -3.63 2.62 1 232 ALA -2.93 1.48 1 233 TRP -2.74 0.62 1 235 ARG 0.37 -0.85 1 236 ALA 0.28 0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26602_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.78 _LACS_plot.Line_1_terminator_val_y_1 -3.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 0.70 _LACS_plot.Y_axis_chem_shift_offset 0.84 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 150 ASP -9.78 -0.75 0 28 HIS -4.71 2.42 0 236 ALA 0.28 4.16 0 10 LYS -2.93 -3.85 1 11 VAL -0.68 -2.36 1 12 ALA -6.96 -3.72 1 13 VAL -3.65 -0.76 1 14 THR 2.45 0.95 1 17 LYS -1.62 0.78 1 18 VAL -3.74 -2.85 1 19 THR -0.42 -1.21 1 20 LEU -1.17 -2.51 1 21 SER -1.18 -1.64 1 23 ASN -5.34 -2.08 1 24 GLN -3.62 -0.14 1 25 THR -0.65 -0.18 1 26 ASN 1.35 -1.31 1 27 ASN 2.48 -0.38 1 30 ASN -0.67 0.09 1 31 MET -7.11 -3.47 1 32 TYR -4.22 -1.73 1 33 TRP -4.62 -1.60 1 34 TYR -6.63 1.06 1 35 ARG -2.41 -2.66 1 45 ILE 2.63 -1.82 1 46 HIS -4.20 -3.68 1 47 TYR -2.05 -0.62 1 48 SER -1.18 -0.71 1 49 TYR 2.92 0.86 1 51 ALA -2.30 -1.67 1 53 SER -2.45 -3.27 1 54 THR -4.64 -1.80 1 55 GLU 1.02 0.93 1 56 LYS -4.67 -0.37 1 63 TYR -4.21 -3.12 1 64 LYS -5.32 -1.93 1 65 ALA -2.01 -2.52 1 66 SER -3.99 -3.66 1 67 ARG -4.40 -1.52 1 69 SER 3.29 2.27 1 70 GLN 2.44 -1.42 1 71 GLU -4.58 -2.13 1 72 ASN -5.99 0.02 1 73 PHE -1.97 -3.64 1 74 SER -1.88 -3.68 1 75 LEU -1.97 -1.60 1 76 ILE 3.05 -2.67 1 77 LEU 2.27 -1.25 1 78 GLU -0.44 -3.02 1 79 LEU 1.70 0.34 1 80 ALA -3.63 -0.66 1 81 THR 2.15 0.79 1 84 GLN 2.27 -1.32 1 85 THR 2.70 -0.14 1 86 SER -0.13 -1.72 1 87 VAL -3.73 1.01 1 88 TYR -3.59 -3.05 1 89 PHE -4.80 -1.72 1 92 SER -0.61 -1.17 1 99 GLU -2.15 -1.26 1 100 GLN -0.50 -1.00 1 101 PHE -1.19 2.85 1 102 PHE 2.39 -3.61 1 107 ARG -4.44 -2.34 1 108 LEU 0.52 -2.81 1 109 THR -0.34 -1.84 1 110 VAL -4.72 -1.14 1 111 LEU 2.18 -0.05 1 112 GLU -2.74 -0.65 1 113 ASP 4.36 0.72 1 115 ARG 0.59 0.22 1 116 ASN 4.89 -0.98 1 117 VAL -5.73 -4.75 1 118 THR 0.70 0.11 1 121 LYS -1.54 -1.75 1 122 VAL -3.68 -4.59 1 123 SER -4.51 -2.20 1 124 LEU -1.55 0.68 1 128 SER 4.80 2.47 1 129 LYS 3.23 1.71 1 130 ALA 2.86 2.50 1 131 GLU 4.09 2.06 1 132 ILE 3.00 1.00 1 133 ALA 1.34 1.00 1 134 ASN -6.25 -0.57 1 135 LYS -4.59 -3.01 1 138 ALA 1.50 -0.58 1 139 THR -0.80 -2.20 1 140 LEU -2.66 -2.26 1 141 VAL -4.57 -3.73 1 143 LEU -4.81 -2.26 1 144 ALA -2.90 -0.24 1 145 ARG -5.96 -1.63 1 147 PHE -1.98 -1.20 1 148 PHE 3.95 -0.85 1 151 HIS -7.02 -0.81 1 152 VAL -4.01 -2.14 1 153 GLU -2.66 -1.96 1 154 LEU -4.28 -3.22 1 155 SER -4.23 -0.87 1 156 TRP -2.62 0.67 1 157 TRP -1.76 0.22 1 158 VAL 3.84 0.66 1 159 ASN -3.32 -2.41 1 161 LYS 1.66 0.22 1 162 GLU -3.28 -2.59 1 163 VAL -0.86 0.55 1 167 VAL -1.89 -1.29 1 168 SER -0.68 -1.11 1 169 THR 0.78 -1.88 1 170 ASP -3.93 -1.92 1 172 GLN -0.35 -1.27 1 173 ALA -2.47 -1.26 1 174 TYR 2.09 -1.31 1 175 LYS 0.30 -0.24 1 176 GLU -0.59 -0.92 1 177 SER -1.74 -2.04 1 179 TYR -0.31 -2.37 1 180 SER -4.68 -1.89 1 181 TYR -4.65 -1.91 1 182 SER -4.11 -4.00 1 183 LEU -6.03 -2.05 1 184 SER -2.37 -2.04 1 185 SER -3.01 -2.92 1 186 ARG -0.22 -4.07 1 187 LEU -1.67 -0.51 1 188 ARG -6.46 -1.67 1 189 VAL 0.36 0.94 1 190 SER 5.04 0.70 1 191 ALA 4.42 0.87 1 192 THR 2.78 2.44 1 193 PHE 1.17 -2.16 1 194 TRP 0.09 0.01 1 195 HIS -3.31 -1.00 1 196 ASN 1.58 0.63 1 198 ARG -0.09 -3.12 1 199 ASN -4.83 -1.06 1 200 HIS -3.60 -2.18 1 201 PHE -5.22 -2.89 1 202 ARG -4.71 -2.49 1 204 GLN -0.75 -1.99 1 205 VAL -0.96 -2.44 1 206 GLN -3.89 -3.20 1 207 PHE 0.12 -0.06 1 208 HIS 0.19 -1.76 1 210 LEU -2.92 1.38 1 211 SER 1.50 0.34 1 213 GLU 0.07 -0.79 1 214 ASP 0.90 -0.96 1 215 LYS -7.17 -2.48 1 216 TRP -1.87 -2.38 1 220 SER -1.75 -0.71 1 224 VAL 2.17 -0.15 1 225 THR -3.39 -3.91 1 226 GLN -2.32 -0.62 1 227 ASN -1.79 -1.79 1 228 ILE -4.38 -1.64 1 229 SER -5.01 -2.70 1 230 ALA -6.90 -2.11 1 231 GLU -3.63 -2.98 1 232 ALA -2.93 0.14 1 233 TRP -2.74 -1.66 1 235 ARG 0.37 -1.27 1 stop_ save_