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 bmr11053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 4.79 _LACS_plot.Line_2_terminator_val_y_2 3.67 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 172 PHE -4.66 -5.78 0 10 ASP -2.11 -0.76 1 11 ILE 1.83 0.91 1 12 THR -3.59 -1.87 1 13 TRP -2.57 -1.34 1 14 GLU -4.15 -2.15 1 15 SER 3.04 2.56 1 16 ASP 0.39 -0.76 1 17 ALA -0.91 -0.10 1 18 GLU -0.21 -0.04 1 19 ILE -1.25 -1.01 1 20 THR -1.69 -1.26 1 22 SER -1.76 -0.69 1 23 SER -0.78 -1.61 1 24 GLU -4.35 -1.35 1 25 ARG -1.68 -0.75 1 26 VAL -4.51 -1.44 1 27 ASP -0.41 0.01 1 28 VAL -6.73 -3.45 1 29 ARG -4.31 -1.67 1 30 LEU -2.42 -0.96 1 31 ASP -1.96 -1.37 1 32 ASP 2.70 2.32 1 33 ASP -1.34 -0.52 1 35 ASN -2.19 -1.52 1 36 PHE -1.29 1.36 1 37 GLN -4.41 -2.44 1 38 LEU 0.87 0.75 1 39 MET -0.23 -0.31 1 40 ASN 0.53 0.36 1 41 ASP -0.83 -0.25 1 44 ALA -1.24 -2.02 1 46 TRP -2.48 -1.22 1 47 ALA -0.48 -0.21 1 73 ASP 0.66 1.09 1 74 THR -4.09 -2.36 1 76 THR -2.81 -2.18 1 78 VAL 0.28 0.28 1 79 TYR -5.06 -0.91 1 80 ARG -0.80 -0.63 1 81 ILE -0.23 -0.08 1 82 MET -3.23 -4.06 1 83 THR -3.18 -2.61 1 84 ARG -1.93 0.04 1 86 LEU 2.91 2.88 1 87 LEU -0.29 -0.84 1 89 SER -1.60 -0.33 1 90 TYR -4.96 -1.49 1 91 GLN -1.78 -0.18 1 92 ALA -1.68 -0.28 1 94 ALA -5.07 -1.69 1 96 VAL -7.03 -3.35 1 97 MET -0.46 -2.04 1 98 VAL 0.18 0.04 1 101 VAL -3.66 -1.19 1 102 PHE -3.36 -0.51 1 103 HIS -0.45 0.82 1 104 THR -2.24 -1.54 1 105 LEU -5.50 -1.96 1 106 TRP 1.16 3.37 1 107 HIS 3.96 4.34 1 108 THR 3.75 2.48 1 109 THR -1.04 -1.57 1 110 LYS 2.42 0.32 1 112 ALA -3.80 -0.01 1 113 ALA 0.93 0.89 1 114 LEU -2.43 -2.76 1 118 GLU -0.50 -0.12 1 120 ARG 0.08 -1.02 1 121 LEU -2.52 -1.42 1 122 ASP -3.31 -2.31 1 124 TYR -6.00 -4.36 1 125 TRP -1.37 -0.39 1 127 SER -4.34 -3.03 1 128 VAL 4.80 3.43 1 129 LYS 3.63 3.32 1 130 GLU -1.01 -0.63 1 131 ASP -0.59 -0.22 1 132 ARG 0.95 0.37 1 133 LEU 0.45 0.31 1 135 TYR -5.29 -0.54 1 139 TRP 1.88 2.31 1 140 LYS -2.25 -1.68 1 141 LEU 0.06 -0.04 1 142 GLN -4.20 -2.55 1 144 LYS -5.81 -2.04 1 145 TRP -0.45 -0.22 1 146 ASN 0.06 -0.18 1 148 HIS -1.32 2.00 1 149 ASP -0.92 1.35 1 151 VAL -7.40 -3.44 1 152 GLN -4.92 -2.13 1 153 MET -0.35 -1.48 1 154 ILE 3.50 0.47 1 155 VAL 2.67 1.82 1 156 VAL -2.75 -2.83 1 157 GLU -2.70 -2.57 1 160 LYS -5.72 -2.69 1 161 ASN -3.40 0.18 1 162 VAL 2.47 1.68 1 163 LYS 1.75 -1.49 1 164 ASN -4.71 -1.34 1 165 VAL -4.11 -1.67 1 166 GLN -2.34 -1.72 1 167 THR -1.74 -1.26 1 168 LYS -3.50 -3.48 1 171 VAL -4.73 -1.74 1 173 LYS 0.37 -0.33 1 174 THR -4.18 -2.50 1 176 GLU -0.71 -0.32 1 178 GLU -3.79 -0.66 1 179 ILE -4.94 -0.87 1 181 ALA -0.82 -1.81 1 182 VAL -4.50 -4.59 1 183 THR 0.28 -1.88 1 184 LEU -3.93 -1.80 1 185 ASP -1.04 -0.30 1 186 TYR -5.24 -1.39 1 190 THR 1.32 0.79 1 191 SER 1.63 3.31 1 193 SER 1.57 1.05 1 195 ILE 0.08 -2.12 1 196 VAL -6.81 -3.47 1 197 ASP -4.58 -2.68 1 198 LYS 3.30 1.47 1 199 ASN -0.04 -0.07 1 201 ASP -0.93 -0.09 1 202 VAL 1.71 0.95 1 203 ILE -4.60 -0.55 1 205 LEU -0.85 -2.01 1 206 TYR -3.11 0.51 1 208 ASN -0.71 1.96 1 210 VAL -6.52 -3.23 1 211 ILE -0.63 -1.48 1 212 MET -4.90 -1.73 1 214 ASN -3.67 -0.60 1 216 SER 0.68 0.75 1 217 TYR -3.83 -0.55 1 218 ILE -3.96 -1.57 1 219 SER -3.76 -2.77 1 220 ALA 0.96 1.03 1 221 ILE 2.32 1.22 1 222 VAL 3.83 3.00 1 223 GLN -5.73 -1.88 1 225 GLU -2.18 -1.09 1 226 ARG -1.30 0.94 1 227 MET -3.34 -0.47 1 228 GLU -2.62 -1.44 1 229 GLU -1.77 -1.90 1 231 ALA -1.15 -2.12 1 233 ALA -0.01 0.23 1 235 PHE -0.47 -0.12 1 236 GLU -2.27 -2.19 1 238 GLU 0.94 1.02 1 239 MET 1.08 0.72 1 240 LEU 0.40 0.31 1 241 ARG 0.06 0.11 1 242 LYS 0.08 0.16 1 243 LYS 0.89 1.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 4.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 4.79 _LACS_plot.Line_2_terminator_val_y_2 -1.12 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 172 PHE -4.66 -1.12 0 10 ASP -2.11 1.35 1 11 ILE 1.83 -0.92 1 12 THR -3.59 1.72 1 13 TRP -2.57 1.23 1 14 GLU -4.15 2.00 1 15 SER 3.04 -0.48 1 16 ASP 0.39 -1.15 1 17 ALA -0.91 0.81 1 18 GLU -0.21 0.17 1 19 ILE -1.25 0.24 1 20 THR -1.69 0.43 1 22 SER -1.76 1.07 1 23 SER -0.78 -0.83 1 24 GLU -4.35 3.00 1 25 ARG -1.68 0.93 1 26 VAL -4.51 3.07 1 27 ASP -0.41 0.42 1 28 VAL -6.73 3.28 1 29 ARG -4.31 2.64 1 30 LEU -2.42 1.46 1 31 ASP -1.96 0.59 1 32 ASP 2.70 -0.38 1 33 ASP -1.34 0.82 1 35 ASN -2.19 0.67 1 36 PHE -1.29 2.65 1 37 GLN -4.41 1.97 1 38 LEU 0.87 -0.12 1 39 MET -0.23 -0.08 1 40 ASN 0.53 -0.17 1 41 ASP -0.83 0.58 1 44 ALA -1.24 -0.78 1 46 TRP -2.48 1.26 1 47 ALA -0.48 0.27 1 73 ASP 0.66 0.43 1 74 THR -4.09 1.73 1 76 THR -2.81 0.63 1 78 VAL 0.28 0.00 1 79 TYR -5.06 4.15 1 80 ARG -0.80 0.17 1 81 ILE -0.23 0.15 1 82 MET -3.23 -0.83 1 83 THR -3.18 0.57 1 84 ARG -1.93 1.97 1 86 LEU 2.91 -0.03 1 87 LEU -0.29 -0.55 1 89 SER -1.60 1.27 1 90 TYR -4.96 3.47 1 91 GLN -1.78 1.60 1 92 ALA -1.68 1.40 1 94 ALA -5.07 3.38 1 96 VAL -7.03 3.68 1 97 MET -0.46 -1.58 1 98 VAL 0.18 -0.14 1 101 VAL -3.66 2.47 1 102 PHE -3.36 2.85 1 103 HIS -0.45 1.27 1 104 THR -2.24 0.70 1 105 LEU -5.50 3.54 1 106 TRP 1.16 2.21 1 107 HIS 3.96 0.38 1 108 THR 3.75 -1.27 1 109 THR -1.04 -0.53 1 110 LYS 2.42 -2.10 1 112 ALA -3.80 3.79 1 113 ALA 0.93 -0.04 1 114 LEU -2.43 -0.33 1 118 GLU -0.50 0.38 1 120 ARG 0.08 -1.10 1 121 LEU -2.52 1.10 1 122 ASP -3.31 1.00 1 124 TYR -6.00 1.64 1 125 TRP -1.37 0.98 1 127 SER -4.34 1.31 1 128 VAL 4.80 -1.37 1 129 LYS 3.63 -0.31 1 130 GLU -1.01 0.38 1 131 ASP -0.59 0.37 1 132 ARG 0.95 -0.58 1 133 LEU 0.45 -0.14 1 135 TYR -5.29 4.75 1 139 TRP 1.88 0.43 1 140 LYS -2.25 0.57 1 141 LEU 0.06 -0.10 1 142 GLN -4.20 1.65 1 144 LYS -5.81 3.77 1 145 TRP -0.45 0.23 1 146 ASN 0.06 -0.24 1 148 HIS -1.32 3.32 1 149 ASP -0.92 2.27 1 151 VAL -7.40 3.96 1 152 GLN -4.92 2.79 1 153 MET -0.35 -1.13 1 154 ILE 3.50 -3.03 1 155 VAL 2.67 -0.85 1 156 VAL -2.75 -0.08 1 157 GLU -2.70 0.13 1 160 LYS -5.72 3.03 1 161 ASN -3.40 3.58 1 162 VAL 2.47 -0.79 1 163 LYS 1.75 -3.24 1 164 ASN -4.71 3.37 1 165 VAL -4.11 2.44 1 166 GLN -2.34 0.62 1 167 THR -1.74 0.48 1 168 LYS -3.50 0.02 1 171 VAL -4.73 2.99 1 173 LYS 0.37 -0.70 1 174 THR -4.18 1.68 1 176 GLU -0.71 0.39 1 178 GLU -3.79 3.13 1 179 ILE -4.94 4.07 1 181 ALA -0.82 -0.99 1 182 VAL -4.50 -0.09 1 183 THR 0.28 -2.16 1 184 LEU -3.93 2.13 1 185 ASP -1.04 0.74 1 186 TYR -5.24 3.85 1 190 THR 1.32 -0.53 1 191 SER 1.63 1.68 1 193 SER 1.57 -0.52 1 195 ILE 0.08 -2.20 1 196 VAL -6.81 3.34 1 197 ASP -4.58 1.90 1 198 LYS 3.30 -1.83 1 199 ASN -0.04 -0.03 1 201 ASP -0.93 0.84 1 202 VAL 1.71 -0.76 1 203 ILE -4.60 4.05 1 205 LEU -0.85 -1.16 1 206 TYR -3.11 3.62 1 208 ASN -0.71 2.67 1 210 VAL -6.52 3.29 1 211 ILE -0.63 -0.85 1 212 MET -4.90 3.17 1 214 ASN -3.67 3.07 1 216 SER 0.68 0.07 1 217 TYR -3.83 3.28 1 218 ILE -3.96 2.39 1 219 SER -3.76 0.99 1 220 ALA 0.96 0.07 1 221 ILE 2.32 -1.10 1 222 VAL 3.83 -0.83 1 223 GLN -5.73 3.85 1 225 GLU -2.18 1.09 1 226 ARG -1.30 2.24 1 227 MET -3.34 2.87 1 228 GLU -2.62 1.18 1 229 GLU -1.77 -0.13 1 231 ALA -1.15 -0.97 1 233 ALA -0.01 0.24 1 235 PHE -0.47 0.35 1 236 GLU -2.27 0.08 1 238 GLU 0.94 0.08 1 239 MET 1.08 -0.36 1 240 LEU 0.40 -0.09 1 241 ARG 0.06 0.05 1 242 LYS 0.08 0.08 1 243 LYS 0.89 0.75 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 0.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 4.79 _LACS_plot.Line_2_terminator_val_y_2 -0.23 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 MET -0.46 1.21 0 154 ILE 3.50 0.67 0 198 LYS 3.30 0.76 0 96 VAL -7.03 1.34 0 196 VAL -6.81 1.39 0 10 ASP -2.11 0.05 1 11 ILE 1.83 0.55 1 12 THR -3.59 0.25 1 13 TRP -2.57 -0.51 1 14 GLU -4.15 0.14 1 15 SER 3.04 -0.29 1 16 ASP 0.39 -0.08 1 17 ALA -0.91 -0.37 1 18 GLU -0.21 -0.37 1 19 ILE -1.25 0.65 1 20 THR -1.69 0.46 1 22 SER -1.76 -0.12 1 23 SER -0.78 0.08 1 24 GLU -4.35 0.03 1 25 ARG -1.68 0.95 1 26 VAL -4.51 0.20 1 27 ASP -0.41 0.64 1 28 VAL -6.73 0.17 1 29 ARG -4.31 -0.05 1 30 LEU -2.42 -0.06 1 31 ASP -1.96 -0.11 1 32 ASP 2.70 -0.52 1 33 ASP -1.34 -0.21 1 35 ASN -2.19 0.15 1 36 PHE -1.29 0.26 1 37 GLN -4.41 0.23 1 38 LEU 0.87 -0.20 1 39 MET -0.23 -0.21 1 40 ASN 0.53 -0.05 1 41 ASP -0.83 -0.40 1 44 ALA -1.24 0.08 1 46 TRP -2.48 0.03 1 47 ALA -0.48 -0.17 1 73 ASP 0.66 -0.32 1 74 THR -4.09 -0.02 1 76 THR -2.81 0.13 1 78 VAL 0.28 0.39 1 79 TYR -5.06 0.68 1 80 ARG -0.80 0.52 1 81 ILE -0.23 0.65 1 82 MET -3.23 0.77 1 83 THR -3.18 0.20 1 84 ARG -1.93 0.96 1 86 LEU 2.91 0.34 1 87 LEU -0.29 0.12 1 89 SER -1.60 0.84 1 90 TYR -4.96 0.17 1 91 GLN -1.78 0.35 1 92 ALA -1.68 0.04 1 94 ALA -5.07 0.85 1 98 VAL 0.18 0.16 1 101 VAL -3.66 0.23 1 102 PHE -3.36 -0.28 1 103 HIS -0.45 -0.05 1 104 THR -2.24 0.22 1 105 LEU -5.50 1.05 1 106 TRP 1.16 -0.25 1 107 HIS 3.96 -0.61 1 108 THR 3.75 -0.45 1 109 THR -1.04 -0.17 1 110 LYS 2.42 0.58 1 112 ALA -3.80 -0.29 1 113 ALA 0.93 0.01 1 114 LEU -2.43 0.02 1 118 GLU -0.50 -0.16 1 120 ARG 0.08 0.00 1 121 LEU -2.52 0.41 1 122 ASP -3.31 0.56 1 124 TYR -6.00 -0.12 1 125 TRP -1.37 -0.28 1 127 SER -4.34 -0.57 1 128 VAL 4.80 0.01 1 129 LYS 3.63 -0.91 1 130 GLU -1.01 -0.37 1 131 ASP -0.59 -0.22 1 132 ARG 0.95 0.89 1 133 LEU 0.45 0.87 1 135 TYR -5.29 -0.18 1 139 TRP 1.88 -0.73 1 140 LYS -2.25 0.05 1 141 LEU 0.06 -0.39 1 142 GLN -4.20 -0.32 1 144 LYS -5.81 0.87 1 145 TRP -0.45 0.04 1 146 ASN 0.06 -0.65 1 148 HIS -1.32 0.18 1 149 ASP -0.92 0.22 1 151 VAL -7.40 0.78 1 152 GLN -4.92 0.90 1 153 MET -0.35 0.19 1 155 VAL 2.67 -0.30 1 156 VAL -2.75 -0.06 1 157 GLU -2.70 0.07 1 160 LYS -5.72 0.11 1 161 ASN -3.40 -0.30 1 162 VAL 2.47 -0.20 1 163 LYS 1.75 0.23 1 164 ASN -4.71 0.10 1 165 VAL -4.11 0.31 1 166 GLN -2.34 0.48 1 167 THR -1.74 0.49 1 168 LYS -3.50 0.61 1 171 VAL -4.73 0.79 1 172 PHE -4.66 0.78 1 173 LYS 0.37 0.95 1 174 THR -4.18 0.14 1 176 GLU -0.71 -0.02 1 178 GLU -3.79 0.12 1 179 ILE -4.94 0.41 1 181 ALA -0.82 0.07 1 182 VAL -4.50 0.80 1 183 THR 0.28 0.56 1 184 LEU -3.93 0.16 1 185 ASP -1.04 -0.14 1 186 TYR -5.24 0.14 1 190 THR 1.32 -0.05 1 191 SER 1.63 -0.16 1 193 SER 1.57 -0.23 1 195 ILE 0.08 0.73 1 197 ASP -4.58 0.44 1 199 ASN -0.04 -0.30 1 201 ASP -0.93 -0.20 1 202 VAL 1.71 0.08 1 203 ILE -4.60 0.02 1 205 LEU -0.85 0.77 1 206 TYR -3.11 -0.16 1 208 ASN -0.71 -0.81 1 210 VAL -6.52 0.47 1 211 ILE -0.63 0.10 1 212 MET -4.90 -0.18 1 214 ASN -3.67 -0.26 1 216 SER 0.68 -0.23 1 217 TYR -3.83 0.45 1 218 ILE -3.96 0.10 1 219 SER -3.76 -0.21 1 220 ALA 0.96 -0.40 1 221 ILE 2.32 -0.38 1 222 VAL 3.83 -0.23 1 223 GLN -5.73 1.02 1 225 GLU -2.18 -0.13 1 226 ARG -1.30 -0.28 1 227 MET -3.34 -0.10 1 228 GLU -2.62 -0.08 1 229 GLU -1.77 0.04 1 231 ALA -1.15 0.13 1 233 ALA -0.01 -0.13 1 235 PHE -0.47 0.22 1 236 GLU -2.27 0.09 1 238 GLU 0.94 -0.31 1 239 MET 1.08 -0.19 1 240 LEU 0.40 0.35 1 241 ARG 0.06 -0.12 1 242 LYS 0.08 -0.10 1 243 LYS 0.89 0.38 1 stop_ save_