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 bmr7236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 8.82 _LACS_plot.Line_2_terminator_val_y_2 6.21 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 MET -7.95 -0.41 0 35 PHE -0.34 4.32 0 10 ASP 2.35 3.26 1 11 ALA 3.69 2.98 1 12 GLU 5.21 4.49 1 13 ASP 3.14 3.05 1 14 GLN 3.65 2.84 1 15 LEU -0.44 -0.18 1 17 ALA -6.84 -1.73 1 18 ARG -2.71 -0.23 1 19 VAL -2.22 -0.82 1 21 TYR -7.31 -0.86 1 22 ILE -4.65 -1.73 1 23 GLU -7.07 -2.20 1 24 LEU -6.73 -1.88 1 25 ASP -0.65 1.38 1 26 LEU 2.95 3.67 1 27 ASN 3.44 3.30 1 28 SER -1.23 0.75 1 30 LYS -0.30 0.39 1 31 ILE 2.66 1.59 1 32 LEU 1.01 0.78 1 33 GLU -5.99 -1.55 1 34 SER -3.68 -0.32 1 38 GLU -0.83 -1.59 1 39 GLU -4.03 -1.58 1 40 ARG 0.20 1.96 1 47 PHE 1.80 1.77 1 50 LEU 4.13 2.35 1 51 LEU 2.28 2.41 1 54 ALA 5.02 2.58 1 56 LEU 4.61 2.85 1 58 ARG 3.82 3.43 1 59 VAL 4.83 3.01 1 60 ASP 3.26 3.15 1 63 GLN -0.75 -0.04 1 64 GLU -7.66 -3.71 1 65 GLN -2.82 -0.75 1 66 LEU 3.38 2.60 1 68 ARG 1.03 2.03 1 69 ARG -0.15 0.56 1 70 ILE -1.06 -0.64 1 71 HIS -1.60 0.51 1 72 TYR -1.68 -1.81 1 73 SER -4.77 -1.25 1 74 GLN 4.63 3.38 1 75 ASN 2.64 1.97 1 76 ASP -0.02 1.45 1 77 LEU 0.77 0.28 1 78 VAL -4.91 -3.24 1 79 GLU 1.18 1.50 1 80 TRP 3.08 0.96 1 84 THR 2.66 2.16 1 85 GLU 3.63 2.30 1 86 LYS 0.41 -0.18 1 87 HIS 0.61 0.22 1 88 LEU 3.40 3.07 1 89 THR 3.43 2.59 1 90 ASP 0.38 -0.18 1 93 THR -2.85 -1.60 1 95 ARG 3.79 4.22 1 96 GLU 1.71 1.86 1 97 LEU 4.21 2.91 1 99 SER 4.36 3.12 1 100 ALA 4.68 3.17 1 101 ALA 4.15 2.56 1 107 ASN 2.97 3.24 1 108 THR 8.82 6.15 1 111 ASN 4.72 3.08 1 113 LEU 2.02 2.39 1 116 THR 4.45 3.63 1 117 ILE -0.03 -0.05 1 121 LYS 4.45 3.28 1 122 GLU 1.15 0.50 1 123 LEU 4.49 2.41 1 125 ALA 4.35 3.27 1 126 PHE 4.75 3.39 1 127 LEU 5.06 2.59 1 128 HIS 4.25 4.31 1 129 ASN 3.19 2.52 1 130 MET 0.97 0.04 1 132 ASP -0.55 -1.90 1 133 HIS -1.01 -0.47 1 134 VAL -0.35 1.62 1 136 ARG -3.58 -1.89 1 137 LEU -5.47 -1.92 1 138 ASP -3.51 1.29 1 139 ARG -4.28 -0.60 1 140 TRP -0.79 -0.59 1 143 GLU 4.69 4.26 1 144 LEU 3.83 2.11 1 145 ASN -0.89 0.89 1 146 GLU 3.16 4.20 1 147 ALA 1.62 1.57 1 150 ASN 3.58 2.14 1 151 ASP -1.88 -0.91 1 152 GLU 0.26 0.32 1 154 ASP 0.32 1.73 1 156 THR 0.73 0.00 1 159 ALA 4.27 3.68 1 160 ALA 2.40 2.26 1 161 MET 3.78 1.97 1 162 ALA 3.00 3.31 1 163 THR 5.63 4.79 1 165 LEU 3.75 2.98 1 166 ARG 6.83 4.92 1 167 LYS 4.12 3.93 1 168 LEU 2.26 2.86 1 169 LEU 0.89 1.57 1 170 THR -3.09 -0.82 1 172 GLU -0.25 -0.57 1 174 LEU -4.40 -2.41 1 175 THR -1.63 0.40 1 176 LEU 4.63 3.84 1 177 ALA 3.53 2.54 1 179 ARG 4.30 4.42 1 180 GLN 2.96 1.92 1 181 GLN 2.12 1.33 1 182 LEU 3.81 3.12 1 183 ILE 5.09 4.53 1 184 ASP 4.42 3.40 1 185 TRP 2.92 2.33 1 187 GLU 3.05 3.12 1 189 ASP -0.91 2.10 1 197 ARG 4.79 3.91 1 198 SER 3.16 2.70 1 199 ALA -1.24 0.18 1 202 ALA 1.73 1.01 1 205 PHE -3.42 -0.86 1 207 ALA -4.15 -1.79 1 214 GLU -0.56 -0.41 1 215 ARG 4.64 1.36 1 217 SER 1.16 1.75 1 218 ARG -5.47 -1.52 1 221 ILE -3.92 -2.61 1 222 ALA -6.54 -1.13 1 223 ALA -3.49 -2.16 1 224 LEU -2.89 2.01 1 227 ASP 2.65 0.80 1 231 SER -1.21 0.72 1 232 ARG -5.35 -0.06 1 233 ILE -4.18 -2.26 1 234 VAL -5.96 -2.61 1 235 VAL -4.52 -1.63 1 236 ILE -4.01 -1.03 1 237 TYR -7.40 -0.79 1 238 THR -2.79 -2.18 1 242 GLN 0.32 -0.03 1 243 ALA -1.59 -0.24 1 245 MET 4.60 2.72 1 246 ASP 4.04 3.60 1 247 GLU 2.21 2.38 1 248 ARG 4.67 4.84 1 249 ASN 3.86 2.20 1 250 ARG 4.10 3.31 1 251 GLN 4.48 2.68 1 252 ILE 7.15 4.76 1 253 ALA 4.76 3.59 1 254 GLU 3.39 3.16 1 257 ALA 3.95 2.69 1 258 SER 4.38 3.55 1 259 LEU 4.36 2.99 1 260 ILE 4.08 2.70 1 261 LYS 3.43 2.85 1 262 HIS 0.93 0.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 5.57 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.14 _LACS_plot.Line_2_terminator_val_x_2 8.82 _LACS_plot.Line_2_terminator_val_y_2 -2.61 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 MET -7.95 7.54 0 35 PHE -0.34 4.66 0 10 ASP 2.35 0.91 1 11 ALA 3.69 -0.71 1 12 GLU 5.21 -0.72 1 13 ASP 3.14 -0.09 1 14 GLN 3.65 -0.81 1 15 LEU -0.44 0.26 1 17 ALA -6.84 5.11 1 18 ARG -2.71 2.48 1 19 VAL -2.22 1.40 1 21 TYR -7.31 6.45 1 22 ILE -4.65 2.92 1 23 GLU -7.07 4.87 1 24 LEU -6.73 4.85 1 25 ASP -0.65 2.03 1 26 LEU 2.95 0.72 1 27 ASN 3.44 -0.14 1 28 SER -1.23 1.98 1 30 LYS -0.30 0.69 1 31 ILE 2.66 -1.07 1 32 LEU 1.01 -0.23 1 33 GLU -5.99 4.44 1 34 SER -3.68 3.36 1 38 GLU -0.83 -0.76 1 39 GLU -4.03 2.45 1 40 ARG 0.20 1.76 1 47 PHE 1.80 -0.03 1 50 LEU 4.13 -1.78 1 51 LEU 2.28 0.13 1 54 ALA 5.02 -2.44 1 56 LEU 4.61 -1.76 1 58 ARG 3.82 -0.39 1 59 VAL 4.83 -1.82 1 60 ASP 3.26 -0.11 1 63 GLN -0.75 0.71 1 64 GLU -7.66 3.95 1 65 GLN -2.82 2.07 1 66 LEU 3.38 -0.78 1 68 ARG 1.03 1.00 1 69 ARG -0.15 0.71 1 70 ILE -1.06 0.42 1 71 HIS -1.60 2.11 1 72 TYR -1.68 -0.13 1 73 SER -4.77 3.52 1 74 GLN 4.63 -1.25 1 75 ASN 2.64 -0.67 1 76 ASP -0.02 1.47 1 77 LEU 0.77 -0.49 1 78 VAL -4.91 1.67 1 79 GLU 1.18 0.32 1 80 TRP 3.08 -2.12 1 84 THR 2.66 -0.50 1 85 GLU 3.63 -1.33 1 86 LYS 0.41 -0.59 1 87 HIS 0.61 -0.39 1 88 LEU 3.40 -0.33 1 89 THR 3.43 -0.84 1 90 ASP 0.38 -0.56 1 93 THR -2.85 1.25 1 95 ARG 3.79 0.43 1 96 GLU 1.71 0.15 1 97 LEU 4.21 -1.30 1 99 SER 4.36 -1.24 1 100 ALA 4.68 -1.51 1 101 ALA 4.15 -1.59 1 107 ASN 2.97 0.27 1 108 THR 8.82 -2.67 1 111 ASN 4.72 -1.64 1 113 LEU 2.02 0.37 1 116 THR 4.45 -0.82 1 117 ILE -0.03 -0.02 1 121 LYS 4.45 -1.17 1 122 GLU 1.15 -0.65 1 123 LEU 4.49 -2.08 1 125 ALA 4.35 -1.08 1 126 PHE 4.75 -1.36 1 127 LEU 5.06 -2.47 1 128 HIS 4.25 0.06 1 129 ASN 3.19 -0.67 1 130 MET 0.97 -0.93 1 132 ASP -0.55 -1.35 1 133 HIS -1.01 0.54 1 134 VAL -0.35 1.97 1 136 ARG -3.58 1.69 1 137 LEU -5.47 3.55 1 138 ASP -3.51 4.80 1 139 ARG -4.28 3.68 1 140 TRP -0.79 0.20 1 143 GLU 4.69 -0.43 1 144 LEU 3.83 -1.72 1 145 ASN -0.89 1.78 1 146 GLU 3.16 1.04 1 147 ALA 1.62 -0.05 1 150 ASN 3.58 -1.44 1 151 ASP -1.88 0.97 1 152 GLU 0.26 0.06 1 154 ASP 0.32 1.41 1 156 THR 0.73 -0.73 1 159 ALA 4.27 -0.59 1 160 ALA 2.40 -0.14 1 161 MET 3.78 -1.81 1 162 ALA 3.00 0.31 1 163 THR 5.63 -0.84 1 165 LEU 3.75 -0.77 1 166 ARG 6.83 -1.91 1 167 LYS 4.12 -0.19 1 168 LEU 2.26 0.60 1 169 LEU 0.89 0.68 1 170 THR -3.09 2.27 1 172 GLU -0.25 -0.32 1 174 LEU -4.40 1.99 1 175 THR -1.63 2.03 1 176 LEU 4.63 -0.79 1 177 ALA 3.53 -0.99 1 179 ARG 4.30 0.12 1 180 GLN 2.96 -1.04 1 181 GLN 2.12 -0.79 1 182 LEU 3.81 -0.69 1 183 ILE 5.09 -0.56 1 184 ASP 4.42 -1.02 1 185 TRP 2.92 -0.59 1 187 GLU 3.05 0.07 1 189 ASP -0.91 3.01 1 197 ARG 4.79 -0.88 1 198 SER 3.16 -0.46 1 199 ALA -1.24 1.42 1 202 ALA 1.73 -0.72 1 205 PHE -3.42 2.56 1 207 ALA -4.15 2.36 1 214 GLU -0.56 0.15 1 215 ARG 4.64 -3.28 1 217 SER 1.16 0.59 1 218 ARG -5.47 3.95 1 221 ILE -3.92 1.31 1 222 ALA -6.54 5.41 1 223 ALA -3.49 1.33 1 224 LEU -2.89 4.90 1 227 ASP 2.65 -1.85 1 231 SER -1.21 1.93 1 232 ARG -5.35 5.29 1 233 ILE -4.18 1.92 1 234 VAL -5.96 3.35 1 235 VAL -4.52 2.89 1 236 ILE -4.01 2.98 1 237 TYR -7.40 6.61 1 238 THR -2.79 0.61 1 242 GLN 0.32 -0.35 1 243 ALA -1.59 1.35 1 245 MET 4.60 -1.88 1 246 ASP 4.04 -0.44 1 247 GLU 2.21 0.17 1 248 ARG 4.67 0.17 1 249 ASN 3.86 -1.66 1 250 ARG 4.10 -0.79 1 251 GLN 4.48 -1.80 1 252 ILE 7.15 -2.39 1 253 ALA 4.76 -1.17 1 254 GLU 3.39 -0.23 1 257 ALA 3.95 -1.26 1 258 SER 4.38 -0.83 1 259 LEU 4.36 -1.37 1 260 ILE 4.08 -1.38 1 261 LYS 3.43 -0.58 1 262 HIS 0.93 -0.90 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7236_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 8.82 _LACS_plot.Line_2_terminator_val_y_2 3.41 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 TRP 3.08 -4.51 0 84 THR 2.66 7.27 0 10 ASP 2.35 1.85 1 11 ALA 3.69 1.80 1 12 GLU 5.21 3.89 1 13 ASP 3.14 2.85 1 14 GLN 3.65 3.18 1 15 LEU -0.44 1.37 1 17 ALA -6.84 -2.90 1 18 ARG -2.71 1.43 1 19 VAL -2.22 -3.61 1 21 TYR -7.31 -1.85 1 22 ILE -4.65 -4.91 1 23 GLU -7.07 -1.56 1 24 LEU -6.73 -1.95 1 25 ASP -0.65 0.50 1 26 LEU 2.95 -0.01 1 27 ASN 3.44 1.79 1 28 SER -1.23 1.92 1 30 LYS -0.30 -0.46 1 31 ILE 2.66 -0.26 1 32 LEU 1.01 -0.52 1 33 GLU -5.99 -1.95 1 34 SER -3.68 -2.57 1 35 PHE -0.34 -1.10 1 38 GLU -0.83 -1.52 1 39 GLU -4.03 -1.71 1 40 ARG 0.20 2.76 1 47 PHE 1.80 0.81 1 50 LEU 4.13 0.46 1 51 LEU 2.28 -0.37 1 54 ALA 5.02 3.21 1 56 LEU 4.61 0.64 1 58 ARG 3.82 3.11 1 59 VAL 4.83 4.55 1 60 ASP 3.26 1.48 1 63 GLN -0.75 -2.48 1 64 GLU -7.66 -3.90 1 65 GLN -2.82 0.06 1 66 LEU 3.38 -0.26 1 68 ARG 1.03 -1.58 1 69 ARG -0.15 -1.74 1 70 ILE -1.06 -1.92 1 71 HIS -1.60 0.09 1 72 TYR -1.68 -2.86 1 73 SER -4.77 1.06 1 74 GLN 4.63 2.01 1 75 ASN 2.64 0.42 1 76 ASP -0.02 -0.73 1 77 LEU 0.77 0.48 1 78 VAL -4.91 0.25 1 79 GLU 1.18 -1.58 1 85 GLU 3.63 -0.13 1 86 LYS 0.41 0.66 1 87 HIS 0.61 0.44 1 88 LEU 3.40 1.60 1 89 THR 3.43 0.92 1 90 ASP 0.38 1.37 1 92 MET -7.95 -1.17 1 93 THR -2.85 1.17 1 95 ARG 3.79 1.25 1 96 GLU 1.71 3.97 1 97 LEU 4.21 1.47 1 99 SER 4.36 4.42 1 100 ALA 4.68 2.46 1 101 ALA 4.15 0.60 1 107 ASN 2.97 2.89 1 108 THR 8.82 1.98 1 111 ASN 4.72 3.59 1 113 LEU 2.02 3.16 1 116 THR 4.45 1.06 1 117 ILE -0.03 -0.96 1 121 LYS 4.45 3.24 1 122 GLU 1.15 3.78 1 123 LEU 4.49 0.53 1 125 ALA 4.35 1.71 1 126 PHE 4.75 1.91 1 127 LEU 5.06 1.47 1 128 HIS 4.25 5.74 1 129 ASN 3.19 1.28 1 130 MET 0.97 -0.46 1 132 ASP -0.55 -1.57 1 133 HIS -1.01 0.93 1 134 VAL -0.35 -0.27 1 136 ARG -3.58 -4.65 1 137 LEU -5.47 -3.31 1 138 ASP -3.51 -0.64 1 139 ARG -4.28 -5.78 1 140 TRP -0.79 3.11 1 143 GLU 4.69 0.06 1 144 LEU 3.83 -0.78 1 145 ASN -0.89 -0.42 1 146 GLU 3.16 -0.87 1 147 ALA 1.62 0.61 1 150 ASN 3.58 -1.95 1 151 ASP -1.88 1.02 1 152 GLU 0.26 1.01 1 154 ASP 0.32 1.64 1 156 THR 0.73 0.38 1 159 ALA 4.27 1.28 1 160 ALA 2.40 0.19 1 161 MET 3.78 1.59 1 162 ALA 3.00 0.64 1 163 THR 5.63 2.67 1 165 LEU 3.75 0.63 1 166 ARG 6.83 2.45 1 167 LYS 4.12 2.04 1 168 LEU 2.26 -0.13 1 169 LEU 0.89 0.72 1 170 THR -3.09 -0.04 1 172 GLU -0.25 -0.17 1 174 LEU -4.40 0.00 1 175 THR -1.63 0.68 1 176 LEU 4.63 1.49 1 177 ALA 3.53 3.70 1 179 ARG 4.30 2.25 1 180 GLN 2.96 1.12 1 181 GLN 2.12 1.88 1 182 LEU 3.81 0.68 1 183 ILE 5.09 0.86 1 184 ASP 4.42 5.14 1 185 TRP 2.92 1.03 1 187 GLU 3.05 1.53 1 189 ASP -0.91 0.44 1 197 ARG 4.79 1.18 1 198 SER 3.16 -0.56 1 199 ALA -1.24 0.39 1 202 ALA 1.73 1.63 1 205 PHE -3.42 -0.98 1 207 ALA -4.15 -2.88 1 214 GLU -0.56 -0.59 1 215 ARG 4.64 -0.24 1 217 SER 1.16 0.34 1 218 ARG -5.47 -2.07 1 221 ILE -3.92 -1.64 1 222 ALA -6.54 -3.18 1 223 ALA -3.49 -2.18 1 224 LEU -2.89 1.00 1 227 ASP 2.65 0.86 1 231 SER -1.21 -0.06 1 232 ARG -5.35 -1.77 1 233 ILE -4.18 -1.83 1 234 VAL -5.96 -2.75 1 235 VAL -4.52 -2.50 1 236 ILE -4.01 -2.07 1 237 TYR -7.40 -1.92 1 238 THR -2.79 -2.20 1 242 GLN 0.32 -0.03 1 243 ALA -1.59 0.94 1 245 MET 4.60 1.51 1 246 ASP 4.04 2.39 1 247 GLU 2.21 2.76 1 248 ARG 4.67 1.20 1 249 ASN 3.86 1.39 1 250 ARG 4.10 2.58 1 251 GLN 4.48 2.50 1 252 ILE 7.15 0.82 1 253 ALA 4.76 2.65 1 254 GLU 3.39 4.15 1 257 ALA 3.95 2.40 1 258 SER 4.38 1.64 1 259 LEU 4.36 1.27 1 260 ILE 4.08 2.10 1 261 LYS 3.43 1.41 1 262 HIS 0.93 -0.35 1 stop_ save_