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 bmr11467_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 -3.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.57 _LACS_plot.Line_2_terminator_val_x_2 8.42 _LACS_plot.Line_2_terminator_val_y_2 6.47 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 SER -1.90 5.07 0 10 GLN 3.78 3.56 1 13 ARG 2.89 1.91 1 14 MET 4.43 3.70 1 15 LEU 0.43 -2.39 1 17 HIS 2.53 0.00 1 18 ARG 5.10 2.42 1 19 ASN -0.25 -1.16 1 20 ASP -2.10 0.18 1 22 ALA -0.04 -0.11 1 24 GLN -0.20 1.52 1 25 ALA -2.23 -1.99 1 26 LYS 3.64 2.20 1 28 PHE 0.36 2.79 1 29 TYR 0.92 -0.08 1 30 THR -4.69 -3.19 1 31 TYR 3.51 2.28 1 32 ASP 3.74 2.69 1 34 PHE 4.04 2.48 1 35 VAL 5.62 4.09 1 36 ALA 3.39 2.34 1 37 ALA 0.39 2.38 1 38 ALA 4.17 2.52 1 39 ASN 3.05 1.90 1 40 ALA 0.57 -0.15 1 41 PHE -2.61 -2.38 1 44 PHE 2.49 0.75 1 46 ALA -2.84 -1.56 1 47 THR -0.28 0.89 1 49 SER -1.61 -0.46 1 55 ARG 5.01 5.53 1 56 ASP 2.23 3.28 1 57 VAL 5.33 4.31 1 58 ALA 2.90 3.70 1 59 ALA 4.69 3.67 1 60 PHE 3.45 2.93 1 61 LEU 3.07 2.10 1 62 ALA 3.50 3.72 1 63 GLN 5.04 3.12 1 64 THR 2.21 1.12 1 66 HIS 5.49 5.12 1 68 THR -2.35 -2.03 1 69 THR 0.55 0.29 1 73 ALA 3.90 3.72 1 74 THR -0.18 -2.62 1 77 ASP 3.23 3.08 1 79 ALA 3.71 2.14 1 80 PHE 1.83 -2.03 1 81 ALA -2.64 -1.08 1 86 PHE -4.03 -1.07 1 87 LYS -2.75 -0.47 1 89 GLU -0.68 0.28 1 92 ALA 1.02 0.08 1 93 ALA -0.14 -0.01 1 94 ALA -1.85 -1.16 1 95 ASP 1.50 1.28 1 96 TYR 3.30 1.16 1 98 THR -3.28 -2.00 1 100 SER -2.49 -1.49 1 101 ALA 1.99 1.12 1 102 GLN 2.39 1.94 1 109 LYS -2.49 -3.53 1 110 ARG -5.24 -1.63 1 111 TYR 1.89 -0.92 1 114 ARG -7.61 -0.96 1 117 ILE 2.51 -0.38 1 118 GLN -0.07 0.74 1 119 LEU -3.66 -0.71 1 120 SER 6.06 3.78 1 121 HIS 8.42 5.10 1 122 ASN 1.74 -0.74 1 123 TYR 1.21 1.42 1 124 ASN 5.85 5.01 1 125 TYR 3.20 1.98 1 128 ALA 3.78 2.41 1 130 ARG 1.83 2.19 1 131 ALA -0.28 0.02 1 132 ILE -4.76 -1.76 1 134 VAL 0.73 -1.29 1 135 ASP -0.39 -0.65 1 136 LEU 2.96 2.91 1 141 ASP 1.28 2.15 1 142 LEU 4.52 3.14 1 143 VAL -2.43 -1.19 1 144 ALA 0.44 1.04 1 145 THR -5.72 -3.75 1 146 ASP 3.91 6.55 1 150 SER 5.99 6.78 1 151 PHE 4.99 5.74 1 152 LYS 4.72 4.65 1 153 THR 1.01 1.81 1 154 ALA 2.57 2.08 1 155 LEU 7.82 5.00 1 156 TRP 3.95 3.59 1 157 PHE -0.14 2.34 1 158 TRP -0.77 -2.04 1 159 MET 1.66 1.03 1 160 THR -0.25 -0.52 1 161 ALA -0.63 -1.80 1 162 GLN 1.60 -0.42 1 163 ALA -1.64 -1.13 1 167 SER 0.97 2.88 1 169 HIS 3.37 2.51 1 170 ALA 5.74 4.30 1 171 VAL -2.81 -1.92 1 172 ILE 0.14 -0.13 1 173 THR 0.41 -0.94 1 175 LYS -0.76 -0.76 1 176 TRP -4.31 -4.43 1 177 SER -3.39 -1.10 1 179 SER 3.25 2.15 1 181 ALA 3.69 4.00 1 182 ASP 4.74 3.39 1 183 ARG 3.47 2.01 1 184 ALA -1.83 -1.04 1 185 ALA 1.29 0.66 1 187 ARG -3.83 -3.45 1 188 ALA 1.19 1.57 1 196 ASN 5.84 5.48 1 197 ILE 5.06 4.90 1 198 ILE -2.14 -0.86 1 199 ASN -0.99 0.59 1 202 LEU 0.86 3.02 1 203 GLU -0.75 -1.16 1 206 HIS -5.08 -0.19 1 209 ASP 4.29 3.17 1 210 SER 4.97 3.36 1 211 ARG 4.60 3.79 1 212 VAL 3.82 2.63 1 213 ALA 2.28 3.51 1 214 ASP 5.64 4.92 1 215 ARG 4.07 4.85 1 218 PHE 3.39 3.26 1 219 TYR 4.44 3.61 1 220 LYS 5.90 3.74 1 221 ARG 2.56 -0.40 1 222 TYR 5.24 3.12 1 224 ASP 4.81 4.51 1 225 ILE 0.66 0.42 1 226 LEU -6.59 -3.24 1 228 VAL -0.93 -0.88 1 230 TYR -3.93 -1.03 1 232 ASP 2.96 0.91 1 233 ASN 3.13 2.85 1 234 LEU -5.57 -2.59 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11467_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 4.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.43 _LACS_plot.Line_2_terminator_val_x_2 8.42 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 SER -1.90 6.97 0 10 GLN 3.78 -0.22 1 13 ARG 2.89 -0.98 1 14 MET 4.43 -0.73 1 15 LEU 0.43 -2.82 1 17 HIS 2.53 -2.53 1 18 ARG 5.10 -2.68 1 19 ASN -0.25 -0.91 1 20 ASP -2.10 2.28 1 22 ALA -0.04 -0.07 1 24 GLN -0.20 1.72 1 25 ALA -2.23 0.24 1 26 LYS 3.64 -1.44 1 28 PHE 0.36 2.43 1 29 TYR 0.92 -1.00 1 30 THR -4.69 1.50 1 31 TYR 3.51 -1.23 1 32 ASP 3.74 -1.05 1 34 PHE 4.04 -1.56 1 35 VAL 5.62 -1.53 1 36 ALA 3.39 -1.05 1 37 ALA 0.39 1.99 1 38 ALA 4.17 -1.65 1 39 ASN 3.05 -1.15 1 40 ALA 0.57 -0.72 1 41 PHE -2.61 0.23 1 44 PHE 2.49 -1.74 1 46 ALA -2.84 1.28 1 47 THR -0.28 1.17 1 49 SER -1.61 1.15 1 55 ARG 5.01 0.52 1 56 ASP 2.23 1.05 1 57 VAL 5.33 -1.02 1 58 ALA 2.90 0.80 1 59 ALA 4.69 -1.02 1 60 PHE 3.45 -0.52 1 61 LEU 3.07 -0.97 1 62 ALA 3.50 0.22 1 63 GLN 5.04 -1.92 1 64 THR 2.21 -1.09 1 66 HIS 5.49 -0.37 1 68 THR -2.35 0.32 1 69 THR 0.55 -0.26 1 73 ALA 3.90 -0.18 1 74 THR -0.18 -2.44 1 77 ASP 3.23 -0.15 1 79 ALA 3.71 -1.57 1 80 PHE 1.83 -3.86 1 81 ALA -2.64 1.56 1 86 PHE -4.03 2.96 1 87 LYS -2.75 2.28 1 89 GLU -0.68 0.96 1 92 ALA 1.02 -0.94 1 93 ALA -0.14 0.13 1 94 ALA -1.85 0.69 1 95 ASP 1.50 -0.22 1 96 TYR 3.30 -2.14 1 98 THR -3.28 1.28 1 100 SER -2.49 1.00 1 101 ALA 1.99 -0.87 1 102 GLN 2.39 -0.45 1 109 LYS -2.49 -1.04 1 110 ARG -5.24 3.61 1 111 TYR 1.89 -2.81 1 114 ARG -7.61 6.65 1 117 ILE 2.51 -2.89 1 118 GLN -0.07 0.81 1 119 LEU -3.66 2.95 1 120 SER 6.06 -2.28 1 121 HIS 8.42 -3.32 1 122 ASN 1.74 -2.48 1 123 TYR 1.21 0.21 1 124 ASN 5.85 -0.84 1 125 TYR 3.20 -1.22 1 128 ALA 3.78 -1.37 1 130 ARG 1.83 0.36 1 131 ALA -0.28 0.30 1 132 ILE -4.76 3.00 1 134 VAL 0.73 -2.02 1 135 ASP -0.39 -0.26 1 136 LEU 2.96 -0.05 1 141 ASP 1.28 0.87 1 142 LEU 4.52 -1.38 1 143 VAL -2.43 1.24 1 144 ALA 0.44 0.60 1 145 THR -5.72 1.97 1 146 ASP 3.91 2.64 1 150 SER 5.99 0.79 1 151 PHE 4.99 0.75 1 152 LYS 4.72 -0.07 1 153 THR 1.01 0.80 1 154 ALA 2.57 -0.49 1 155 LEU 7.82 -2.82 1 156 TRP 3.95 -0.36 1 157 PHE -0.14 2.48 1 158 TRP -0.77 -1.27 1 159 MET 1.66 -0.63 1 160 THR -0.25 -0.27 1 161 ALA -0.63 -1.17 1 162 GLN 1.60 -2.02 1 163 ALA -1.64 0.51 1 167 SER 0.97 1.91 1 169 HIS 3.37 -0.86 1 170 ALA 5.74 -1.44 1 171 VAL -2.81 0.89 1 172 ILE 0.14 -0.27 1 173 THR 0.41 -1.35 1 175 LYS -0.76 0.00 1 176 TRP -4.31 -0.12 1 177 SER -3.39 2.29 1 179 SER 3.25 -1.10 1 181 ALA 3.69 0.31 1 182 ASP 4.74 -1.35 1 183 ARG 3.47 -1.46 1 184 ALA -1.83 0.79 1 185 ALA 1.29 -0.63 1 187 ARG -3.83 0.38 1 188 ALA 1.19 0.38 1 196 ASN 5.84 -0.36 1 197 ILE 5.06 -0.16 1 198 ILE -2.14 1.28 1 199 ASN -0.99 1.58 1 202 LEU 0.86 2.16 1 203 GLU -0.75 -0.41 1 206 HIS -5.08 4.89 1 209 ASP 4.29 -1.12 1 210 SER 4.97 -1.61 1 211 ARG 4.60 -0.81 1 212 VAL 3.82 -1.19 1 213 ALA 2.28 1.23 1 214 ASP 5.64 -0.72 1 215 ARG 4.07 0.78 1 218 PHE 3.39 -0.13 1 219 TYR 4.44 -0.83 1 220 LYS 5.90 -2.16 1 221 ARG 2.56 -2.96 1 222 TYR 5.24 -2.12 1 224 ASP 4.81 -0.30 1 225 ILE 0.66 -0.24 1 226 LEU -6.59 3.35 1 228 VAL -0.93 0.05 1 230 TYR -3.93 2.90 1 232 ASP 2.96 -2.05 1 233 ASN 3.13 -0.28 1 234 LEU -5.57 2.98 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11467_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 -3.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 8.42 _LACS_plot.Line_2_terminator_val_y_2 2.80 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 ARG -7.61 0.90 0 10 GLN 3.78 1.44 1 13 ARG 2.89 2.16 1 14 MET 4.43 1.34 1 15 LEU 0.43 1.18 1 17 HIS 2.53 -0.10 1 18 ARG 5.10 -2.08 1 19 ASN -0.25 -0.76 1 20 ASP -2.10 0.23 1 22 ALA -0.04 0.80 1 24 GLN -0.20 0.37 1 25 ALA -2.23 -2.46 1 26 LYS 3.64 1.50 1 28 PHE 0.36 0.05 1 29 TYR 0.92 0.43 1 30 THR -4.69 -1.40 1 31 TYR 3.51 0.21 1 32 ASP 3.74 2.15 1 34 PHE 4.04 -0.31 1 35 VAL 5.62 1.17 1 36 ALA 3.39 3.14 1 37 ALA 0.39 0.84 1 38 ALA 4.17 2.23 1 39 ASN 3.05 1.11 1 40 ALA 0.57 -2.12 1 41 PHE -2.61 -2.81 1 44 PHE 2.49 -0.13 1 46 ALA -2.84 -2.00 1 47 THR -0.28 -2.09 1 49 SER -1.61 -0.62 1 55 ARG 5.01 1.97 1 56 ASP 2.23 1.33 1 57 VAL 5.33 1.80 1 58 ALA 2.90 2.48 1 59 ALA 4.69 0.82 1 60 PHE 3.45 3.91 1 62 ALA 3.50 0.66 1 63 GLN 5.04 3.20 1 64 THR 2.21 2.85 1 65 SER -1.90 -0.78 1 66 HIS 5.49 2.79 1 69 THR 0.55 -0.45 1 73 ALA 3.90 1.17 1 74 THR -0.18 -1.77 1 77 ASP 3.23 -1.55 1 79 ALA 3.71 0.29 1 80 PHE 1.83 -0.93 1 81 ALA -2.64 0.44 1 86 PHE -4.03 -0.86 1 87 LYS -2.75 -2.35 1 89 GLU -0.68 -1.34 1 92 ALA 1.02 -0.54 1 93 ALA -0.14 -1.41 1 94 ALA -1.85 -1.73 1 95 ASP 1.50 0.99 1 96 TYR 3.30 -1.93 1 98 THR -3.28 -2.69 1 100 SER -2.49 -0.58 1 101 ALA 1.99 0.82 1 102 GLN 2.39 -0.94 1 109 LYS -2.49 -0.67 1 111 TYR 1.89 -2.31 1 117 ILE 2.51 -1.65 1 118 GLN -0.07 -2.45 1 119 LEU -3.66 -0.24 1 120 SER 6.06 3.03 1 121 HIS 8.42 -0.57 1 122 ASN 1.74 -3.18 1 123 TYR 1.21 -0.16 1 124 ASN 5.85 1.39 1 125 TYR 3.78 2.53 1 130 ARG 1.83 1.80 1 131 ALA -0.28 -0.21 1 132 ILE -4.76 -2.49 1 134 VAL 0.73 0.11 1 135 ASP -0.39 1.69 1 136 LEU 2.96 0.89 1 141 ASP 1.28 0.89 1 142 LEU 4.52 -1.62 1 143 VAL -2.43 -2.62 1 144 ALA 0.44 -0.34 1 145 THR 5.99 2.88 1 151 PHE 4.99 2.40 1 152 LYS 4.72 0.52 1 153 THR 1.01 1.24 1 154 ALA 2.57 -0.11 1 155 LEU 7.82 2.23 1 156 TRP 3.95 1.78 1 157 PHE -0.14 -1.22 1 158 TRP -0.77 0.99 1 159 MET 1.66 -1.75 1 160 THR -0.25 -1.69 1 161 ALA -0.63 -1.87 1 162 GLN 1.60 -1.78 1 163 ALA -1.64 -0.33 1 167 SER 0.97 2.84 1 169 HIS 3.37 1.21 1 170 ALA 5.74 3.48 1 171 VAL -2.81 -1.89 1 172 ILE 0.14 0.31 1 173 THR 0.41 -0.68 1 175 LYS -0.76 -1.75 1 176 TRP -4.31 -4.15 1 177 SER -3.39 1.05 1 179 SER 3.25 3.11 1 181 ALA 3.69 1.65 1 182 ASP 4.74 4.52 1 183 ARG 3.47 0.34 1 184 ALA -1.83 -1.75 1 185 ALA 1.29 -3.69 1 187 ARG -3.83 -3.35 1 188 ALA 1.19 2.77 1 196 ASN 5.84 1.35 1 197 ILE 5.06 0.52 1 198 ILE -2.14 2.02 1 199 ASN -0.99 1.24 1 202 LEU 0.86 -0.31 1 203 GLU -0.75 0.48 1 206 HIS -5.08 -0.10 1 209 ASP 4.97 1.42 1 211 ARG 4.60 2.33 1 212 VAL 3.82 2.23 1 213 ALA 2.28 0.28 1 214 ASP 5.64 2.07 1 215 ARG 4.07 -0.43 1 218 PHE 3.39 1.20 1 219 TYR 4.44 0.97 1 220 LYS 5.90 2.26 1 221 ARG 2.56 2.75 1 222 TYR 5.24 3.27 1 224 ASP 4.81 0.99 1 225 ILE 0.66 -0.65 1 226 LEU -6.59 -3.43 1 228 VAL -0.93 4.06 1 230 TYR -3.93 0.53 1 232 ASP 2.96 1.67 1 233 ASN 3.13 -2.30 1 234 LEU -5.57 -3.11 1 stop_ save_