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 bmr26742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 -6.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.70 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 2.07 _LACS_plot.Y_axis_chem_shift_offset 3.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 LEU -9.67 -12.51 0 10 GLN 0.16 -3.01 1 11 THR 0.64 -2.41 1 12 LYS -2.11 -4.24 1 14 LEU -0.26 -2.93 1 16 ALA 3.01 -0.47 1 17 LEU 4.21 0.21 1 18 LYS 3.60 -0.28 1 19 LEU 3.11 -0.47 1 20 ALA 3.25 0.15 1 21 LEU 3.39 -0.70 1 22 GLU 0.73 -2.93 1 23 TYR 0.85 -0.47 1 24 ILE 6.47 1.55 1 25 VAL 4.61 -2.12 1 28 MET 4.59 0.40 1 29 ASN 2.42 -0.68 1 30 LYS -2.38 -2.11 1 31 HIS -6.16 -4.16 1 33 ILE -0.87 -3.51 1 35 VAL -1.12 -3.78 1 36 VAL -1.69 -2.76 1 37 ASP 2.94 -2.37 1 38 ASP 3.21 -0.32 1 39 PHE -1.72 -3.65 1 40 LEU 4.87 0.98 1 42 LYS 5.40 0.77 1 43 GLU 7.12 1.67 1 44 THR 4.91 0.51 1 47 GLN 7.24 2.01 1 48 ILE 4.93 0.34 1 50 ASP 4.49 0.12 1 51 GLU 6.91 1.68 1 52 VAL 5.62 0.93 1 53 ARG 4.63 -0.20 1 54 ALA 2.83 -0.39 1 55 LEU 4.33 0.79 1 56 HIS 3.54 -0.56 1 57 ASP 0.65 -2.04 1 58 THR 1.18 -2.91 1 60 LYS 0.64 -3.85 1 61 PHE -3.73 -4.85 1 62 THR 4.36 -0.96 1 63 ASP 0.89 -2.82 1 67 VAL 0.23 -3.03 1 68 SER 0.88 -2.41 1 69 GLN 0.42 -3.07 1 70 LYS 0.40 -2.77 1 71 SER 1.51 -2.26 1 72 ASP 0.23 -3.10 1 73 SER 1.54 -1.79 1 74 SER 2.81 -1.81 1 75 LYS 2.14 -2.19 1 76 ASP 1.72 -1.58 1 77 ILE -2.53 -5.07 1 78 ARG 1.25 -5.03 1 80 ASP -3.96 -5.75 1 81 LYS -7.78 -5.79 1 82 ILE -0.65 -3.28 1 83 THR -3.25 -4.96 1 84 TRP -5.32 -7.19 1 85 ILE 0.16 -2.06 1 86 GLU -0.74 -4.11 1 88 LYS 5.09 -0.46 1 89 GLU 7.24 2.47 1 95 ILE 4.86 0.10 1 97 LEU 2.74 -1.02 1 110 ASN -1.63 -3.82 1 112 LYS -0.14 -4.94 1 113 LEU -0.27 -4.28 1 115 SER -0.23 -2.67 1 116 TYR 0.25 -3.92 1 117 LYS 2.44 -2.52 1 118 ILE -1.65 -3.82 1 119 ASN -1.41 -3.83 1 121 ARG -3.60 -3.13 1 122 THR 1.21 -1.29 1 123 LYS -0.29 -3.69 1 124 ALA -1.59 -4.38 1 125 MET 2.24 -3.04 1 126 VAL -7.09 -4.85 1 127 ALA 3.28 -1.12 1 129 TYR 1.66 -2.64 1 132 ASN -2.59 -3.57 1 134 THR 0.51 -3.00 1 137 VAL 2.29 -2.28 1 138 ARG -1.98 -2.63 1 139 HIS -4.35 -5.44 1 140 VAL 4.83 0.84 1 141 ASP -4.78 -7.18 1 142 ASN -0.87 -3.21 1 144 ASN 0.15 -3.43 1 146 ASP 1.48 -0.37 1 148 ARG -3.47 -2.71 1 150 VAL -1.24 -2.22 1 155 TYR -1.27 -3.40 1 157 ASN 2.54 -1.33 1 158 LYS 3.10 -1.93 1 159 ASP 1.87 -1.85 1 160 TRP 2.30 -1.14 1 162 ALA 4.94 -0.10 1 163 LYS 0.77 -2.15 1 164 VAL 2.39 -1.99 1 165 SER 1.75 -2.26 1 168 ILE 0.11 -4.31 1 169 LEU -2.34 -4.70 1 170 ARG -2.16 -4.39 1 171 ILE -0.32 -4.36 1 172 PHE 2.20 -1.49 1 174 GLU -1.36 -4.55 1 176 LYS 1.12 -2.39 1 177 ALA -0.88 -3.52 1 178 GLN -2.78 -5.71 1 179 PHE -2.78 -4.53 1 180 ALA -1.19 -3.84 1 181 ASP -0.82 -5.44 1 182 ILE 1.54 -1.87 1 183 GLU -0.59 -2.67 1 185 LYS 1.76 -1.55 1 186 PHE 1.43 -2.30 1 187 ASP -0.58 -2.99 1 192 PHE -1.93 -3.71 1 193 TRP 1.56 -1.04 1 194 SER 0.19 -4.16 1 195 ASP 3.69 -1.02 1 196 ARG 3.21 0.56 1 197 ARG -2.30 -3.44 1 198 ASN -2.00 -2.75 1 200 HIS -7.26 -6.35 1 201 GLU 1.72 -2.92 1 202 VAL 3.06 -3.31 1 203 GLN 0.80 -3.06 1 206 TYR -4.53 -5.07 1 207 ALA 4.41 -0.07 1 208 THR -5.29 -4.82 1 209 ARG -5.87 -3.60 1 210 TYR -3.49 -3.16 1 211 ALA -4.63 -4.18 1 218 ASP 2.75 -0.05 1 219 ALA 3.57 -0.10 1 220 ASP 2.89 0.35 1 221 GLU 3.97 -0.60 1 223 ALA 3.70 -0.57 1 224 ARG 2.11 -1.71 1 225 ALA 1.26 -2.26 1 226 LYS 1.49 -2.76 1 227 VAL 1.51 -1.49 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -4.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.70 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -5.16 _LACS_plot.Y_axis_chem_shift_offset 3.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 LEU -9.67 -2.84 0 10 GLN 0.16 -3.17 1 11 THR 0.64 -3.05 1 12 LYS -2.11 -2.13 1 14 LEU -0.26 -2.67 1 16 ALA 3.01 -3.48 1 17 LEU 4.21 -4.00 1 18 LYS 3.60 -3.88 1 19 LEU 3.11 -3.58 1 20 ALA 3.25 -3.10 1 21 LEU 3.39 -4.09 1 22 GLU 0.73 -3.66 1 23 TYR 0.85 -1.32 1 24 ILE 6.47 -4.92 1 25 VAL 4.61 -6.73 1 28 MET 4.59 -4.19 1 29 ASN 2.42 -3.10 1 30 LYS -2.38 0.27 1 31 HIS -6.16 2.00 1 33 ILE -0.87 -2.64 1 35 VAL -1.12 -2.66 1 36 VAL -1.69 -1.07 1 37 ASP 2.94 -5.31 1 38 ASP 3.21 -3.53 1 39 PHE -1.72 -1.93 1 40 LEU 4.87 -3.89 1 42 LYS 5.40 -4.63 1 43 GLU 7.12 -5.45 1 44 THR 4.91 -4.40 1 47 GLN 7.24 -5.23 1 48 ILE 4.93 -4.59 1 50 ASP 4.49 -4.37 1 51 GLU 6.91 -5.23 1 52 VAL 5.62 -4.69 1 53 ARG 4.63 -4.83 1 54 ALA 2.83 -3.22 1 55 LEU 4.33 -3.54 1 56 HIS 3.54 -4.10 1 57 ASP 0.65 -2.69 1 58 THR 1.18 -4.09 1 60 LYS 0.64 -4.49 1 61 PHE -3.73 -1.12 1 62 THR 4.36 -5.32 1 63 ASP 0.89 -3.71 1 67 VAL 0.23 -3.26 1 68 SER 0.88 -3.29 1 69 GLN 0.42 -3.49 1 70 LYS 0.40 -3.17 1 71 SER 1.51 -3.77 1 72 ASP 0.23 -3.33 1 73 SER 1.54 -3.33 1 74 SER 2.81 -4.62 1 75 LYS 2.14 -4.33 1 76 ASP 1.72 -3.30 1 77 ILE -2.53 -2.54 1 78 ARG 1.25 -6.28 1 80 ASP -3.96 -1.79 1 81 LYS -7.78 1.99 1 82 ILE -0.65 -2.63 1 83 THR -3.25 -1.71 1 84 TRP -5.32 -1.87 1 85 ILE 0.16 -2.22 1 86 GLU -0.74 -3.37 1 88 LYS 5.09 -5.55 1 89 GLU 7.24 -4.77 1 95 ILE 4.86 -4.76 1 97 LEU 2.74 -3.76 1 110 ASN -1.63 -2.19 1 112 LYS -0.14 -4.80 1 113 LEU -0.27 -4.01 1 115 SER -0.23 -2.44 1 116 TYR 0.25 -4.17 1 117 LYS 2.44 -4.96 1 118 ILE -1.65 -2.17 1 119 ASN -1.41 -2.42 1 121 ARG -3.60 0.47 1 122 THR 1.21 -2.50 1 123 LYS -0.29 -3.40 1 124 ALA -1.59 -2.79 1 125 MET 2.24 -5.28 1 126 VAL -7.09 2.24 1 127 ALA 3.28 -4.40 1 129 TYR 1.66 -4.30 1 132 ASN -2.59 -0.98 1 134 THR 0.51 -3.51 1 137 VAL 2.29 -4.57 1 138 ARG -1.98 -0.65 1 139 HIS -4.35 -1.09 1 140 VAL 4.83 -3.99 1 141 ASP -4.78 -2.40 1 142 ASN -0.87 -2.34 1 144 ASN 0.15 -3.58 1 146 ASP 1.48 -1.85 1 148 ARG -3.47 0.76 1 150 VAL -1.24 -0.98 1 155 TYR -1.27 -2.13 1 157 ASN 2.54 -3.87 1 158 LYS 3.10 -5.03 1 159 ASP 1.87 -3.72 1 160 TRP 2.30 -3.44 1 162 ALA 4.94 -5.04 1 163 LYS 0.77 -2.92 1 164 VAL 2.39 -4.38 1 165 SER 1.75 -4.01 1 168 ILE 0.11 -4.42 1 169 LEU -2.34 -2.36 1 170 ARG -2.16 -2.23 1 171 ILE -0.32 -4.04 1 172 PHE 2.20 -3.69 1 174 GLU -1.36 -3.19 1 176 LYS 1.12 -3.51 1 177 ALA -0.88 -2.64 1 178 GLN -2.78 -2.93 1 179 PHE -2.78 -1.75 1 180 ALA -1.19 -2.65 1 181 ASP -0.82 -4.62 1 182 ILE 1.54 -3.41 1 183 GLU -0.59 -2.08 1 185 LYS 1.76 -3.31 1 186 PHE 1.43 -3.73 1 187 ASP -0.58 -2.41 1 192 PHE -1.93 -1.78 1 193 TRP 1.56 -2.60 1 194 SER 0.19 -4.35 1 195 ASP 3.69 -4.71 1 196 ARG 3.21 -2.65 1 197 ARG -2.30 -1.14 1 198 ASN -2.00 -0.75 1 200 HIS -7.26 0.91 1 201 GLU 1.72 -4.64 1 202 VAL 3.06 -6.37 1 203 GLN 0.80 -3.86 1 206 TYR -4.53 -0.54 1 207 ALA 4.41 -4.48 1 208 THR -5.29 0.47 1 209 ARG -5.87 2.27 1 210 TYR -3.49 0.33 1 211 ALA -4.63 0.45 1 218 ASP 2.75 -2.80 1 219 ALA 3.57 -3.67 1 220 ASP 2.89 -2.54 1 221 GLU 3.97 -4.57 1 223 ALA 3.70 -4.27 1 224 ARG 2.11 -3.82 1 225 ALA 1.26 -3.52 1 226 LYS 1.49 -4.25 1 227 VAL 1.51 -3.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.67 _LACS_plot.Line_1_terminator_val_y_1 -5.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.37 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _LACS_plot.Y_axis_chem_shift_offset 2.77 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 170 ARG -2.16 -176.40 0 10 GLN 0.16 -2.55 1 11 THR 0.64 -4.06 1 12 LYS -2.11 -2.54 1 14 LEU -0.26 -2.77 1 16 ALA 3.01 -2.02 1 17 LEU 4.21 -1.99 1 18 LYS 3.60 -0.99 1 19 LEU 3.11 -0.73 1 20 ALA 3.25 -2.86 1 21 LEU 3.39 -1.00 1 22 GLU 0.73 -5.30 1 23 TYR 0.85 -4.13 1 24 ILE 6.47 -1.50 1 25 VAL 4.61 0.45 1 28 MET 4.59 -0.80 1 29 ASN 2.42 -1.67 1 30 LYS -2.38 0.30 1 31 HIS -6.16 -3.56 1 33 ILE -0.87 -3.78 1 35 VAL -1.12 -4.77 1 36 VAL -1.69 -3.19 1 37 ASP 2.94 -1.89 1 38 ASP 3.21 -2.16 1 39 PHE -1.72 -0.92 1 40 LEU 4.87 -0.75 1 42 LYS 5.40 0.36 1 43 GLU 7.12 -0.64 1 44 THR 4.91 0.52 1 47 GLN 7.24 -0.89 1 48 ILE 4.93 0.63 1 50 ASP 4.49 1.36 1 51 GLU 6.91 -1.26 1 52 VAL 5.62 -0.35 1 53 ARG 4.63 0.80 1 54 ALA 2.83 -1.13 1 55 LEU 4.33 2.15 1 56 HIS 3.54 -1.72 1 57 ASP 0.65 -1.26 1 58 THR 1.18 -2.16 1 60 LYS 0.64 -1.74 1 61 PHE -3.73 -3.21 1 62 THR 4.36 -1.25 1 63 ASP 0.89 -2.69 1 67 VAL 0.23 -2.70 1 68 SER 0.88 -2.75 1 69 GLN 0.42 -2.45 1 70 LYS 0.40 -2.70 1 71 SER 1.51 -2.51 1 72 ASP 0.23 -1.96 1 73 SER 1.54 -1.75 1 74 SER 2.81 -2.86 1 75 LYS 2.14 -3.14 1 76 ASP 1.72 -4.28 1 77 ILE -2.53 -3.58 1 78 ARG 1.25 -2.77 1 80 ASP -3.96 -3.27 1 81 LYS -7.78 -1.28 1 82 ILE -0.65 -6.59 1 83 THR -3.25 -1.94 1 84 TRP -5.32 -4.18 1 85 ILE 0.16 -1.52 1 86 GLU -0.74 -3.12 1 88 LYS 5.09 -2.97 1 89 GLU 7.24 -0.22 1 95 ILE 4.86 0.13 1 97 LEU 2.74 -2.07 1 110 ASN -1.63 -2.98 1 112 LYS -0.14 -5.12 1 113 LEU -0.27 -2.51 1 115 SER -0.23 -2.13 1 116 TYR 0.25 -4.12 1 117 LYS 2.44 -2.30 1 118 ILE -1.41 -3.33 1 121 ARG -3.60 -0.47 1 122 THR 1.21 -3.99 1 123 LYS -0.29 -2.75 1 124 ALA -1.59 -3.87 1 125 MET 2.24 -5.03 1 126 VAL -7.09 -4.39 1 127 ALA 3.28 -1.35 1 129 TYR 1.66 -2.62 1 132 ASN -2.59 -3.15 1 134 THR 0.51 -2.79 1 137 VAL 2.29 -3.78 1 138 ARG -1.98 -5.41 1 139 HIS -4.35 -2.11 1 140 VAL 4.83 -5.04 1 141 ASP -4.78 -3.50 1 142 ASN -0.87 -2.94 1 144 ASN 1.48 -2.77 1 148 ARG -1.24 -1.78 1 155 TYR -1.27 -4.10 1 156 LEU -9.67 -4.57 1 157 ASN 2.54 -2.99 1 158 LYS 3.10 -4.14 1 159 ASP 1.87 -2.92 1 160 TRP 2.30 -0.79 1 162 ALA 4.94 -1.54 1 163 LYS 2.39 -2.67 1 165 SER 1.75 -4.11 1 168 ILE 0.11 -6.60 1 169 LEU -2.34 -4.42 1 171 ILE -0.32 -4.22 1 172 PHE 2.20 -1.40 1 174 GLU -1.36 -3.13 1 176 LYS 1.12 -2.83 1 177 ALA -0.88 -3.61 1 178 GLN -2.78 -4.13 1 179 PHE -1.19 -2.76 1 181 ASP -0.82 -3.79 1 182 ILE 1.54 -1.02 1 183 GLU -0.59 -6.23 1 185 LYS 1.76 -3.10 1 186 PHE 1.43 -6.95 1 187 ASP -0.58 -2.98 1 192 PHE -1.93 -0.20 1 193 TRP 1.56 -3.40 1 194 SER 0.19 -3.01 1 195 ASP 3.69 -2.74 1 196 ARG 3.21 -2.95 1 197 ARG -2.30 -2.55 1 198 ASN -2.00 -5.57 1 200 HIS -7.26 -5.37 1 201 GLU 1.72 -1.82 1 202 VAL 3.06 -6.87 1 203 GLN 0.80 -4.81 1 206 TYR -4.53 -5.16 1 207 ALA 4.41 -4.12 1 208 THR -5.29 -4.04 1 209 ARG -5.87 -1.96 1 210 TYR -3.49 -5.19 1 211 ALA -4.63 -2.45 1 218 ASP 2.75 0.33 1 219 ALA 3.57 -0.46 1 220 ASP 2.89 -0.24 1 221 GLU 3.97 -1.01 1 223 ALA 3.70 -0.71 1 224 ARG 1.26 -2.59 1 226 LYS 1.49 -3.78 1 227 VAL 1.51 1.92 1 stop_ save_