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 bmr25021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.83 _LACS_plot.Line_1_terminator_val_y_1 -3.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.07 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 4.81 _LACS_plot.Y_axis_chem_shift_offset 0.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ARG -6.83 1.18 0 10 ARG 3.01 1.42 1 11 ALA 2.24 0.67 1 12 MET 2.17 0.92 1 14 ALA 1.26 0.18 1 15 ALA 1.10 -0.05 1 17 SER -0.25 -1.00 1 18 LEU 1.63 0.19 1 20 GLU 0.00 -0.58 1 21 ARG 1.60 0.30 1 22 THR 0.42 -0.12 1 23 VAL 1.57 0.11 1 24 THR 1.31 0.37 1 25 GLU 0.49 -0.19 1 26 LEU 1.48 0.01 1 27 ILE 1.47 -0.26 1 28 LEU 1.31 -0.24 1 29 GLN 2.85 1.20 1 30 HIS 2.58 2.38 1 31 GLN 4.55 3.47 1 34 GLN 3.89 1.74 1 35 GLN 3.84 1.65 1 36 LEU 3.92 2.24 1 37 SER 4.51 2.11 1 38 SER 5.24 3.23 1 39 ASN 3.80 1.88 1 40 LEU 5.64 2.18 1 41 TRP 1.74 0.46 1 42 ALA 3.69 1.93 1 43 ALA 4.83 1.91 1 44 VAL 5.73 4.19 1 45 ARG 4.03 1.83 1 46 ALA 3.33 1.10 1 47 ARG 0.51 -2.15 1 50 GLN -3.67 0.15 1 51 PHE -3.14 -1.45 1 52 LEU 3.68 1.69 1 55 ALA 3.92 1.98 1 56 MET 5.22 2.87 1 57 GLN 6.62 3.86 1 58 GLU 4.33 2.63 1 59 GLU 4.12 2.03 1 60 ALA 0.23 2.30 1 66 LEU 4.87 -0.03 1 67 ALA -4.04 -1.62 1 69 GLU 5.54 2.69 1 70 ASP 1.09 -1.49 1 72 SER 6.63 2.22 1 73 ALA -2.42 -3.46 1 77 LYS 4.60 3.24 1 79 LEU 4.17 2.41 1 80 VAL 7.15 4.44 1 90 ARG -0.35 -0.14 1 91 PHE -1.09 -1.57 1 93 GLN 2.63 -0.02 1 94 ALA 1.79 0.48 1 95 SER -5.56 -3.06 1 96 LYS 0.33 3.57 1 97 THR 4.16 2.24 1 98 SER 6.05 -0.28 1 99 ILE -0.64 0.89 1 101 HIS 6.43 4.11 1 102 VAL 7.49 4.66 1 103 VAL 5.27 1.72 1 104 GLN 4.10 3.52 1 105 LEU 3.78 0.98 1 106 LEU 2.33 1.84 1 107 TYR 3.57 1.97 1 108 ARG -0.55 -1.25 1 109 ALA 2.86 -0.27 1 110 SER -2.70 -2.49 1 112 PHE -0.89 -1.33 1 113 LYS -0.65 -0.87 1 115 THR 0.68 -0.36 1 116 LYS 2.79 -0.24 1 121 SER 3.04 -0.26 1 122 SER -0.64 -0.54 1 126 LEU 2.89 1.51 1 127 LYS 5.63 3.96 1 128 GLU 3.70 0.70 1 129 GLU -2.15 -3.54 1 130 PHE 3.33 0.25 1 131 ARG -4.43 -2.76 1 132 THR 6.70 4.42 1 133 TYR 5.29 3.20 1 134 GLU 1.64 1.72 1 135 ALA 4.01 2.66 1 136 LEU 3.44 -0.26 1 137 ARG 6.65 3.98 1 138 ARG 3.59 1.60 1 139 GLU 5.70 4.46 1 140 HIS 4.25 2.43 1 141 ASP 3.97 2.26 1 142 SER 4.74 1.39 1 143 GLN 7.83 4.57 1 144 ILE 6.48 2.86 1 145 VAL 5.17 3.52 1 146 GLN 6.37 4.20 1 147 ILE 4.30 2.66 1 148 ALA 4.76 3.32 1 149 MET 3.68 2.17 1 150 GLU 0.25 -1.14 1 151 ALA -0.30 -1.74 1 153 LEU 0.62 -1.38 1 154 ARG -0.99 -0.76 1 155 ILE 0.62 0.10 1 156 ALA 5.25 2.32 1 158 ASP 4.28 1.75 1 159 GLN 1.97 2.47 1 160 TRP 4.74 3.78 1 161 SER 7.94 3.83 1 162 SER 2.92 2.28 1 163 LEU -0.06 -0.25 1 164 LEU 0.24 1.00 1 165 TYR -2.38 -1.72 1 167 ASP 1.87 0.78 1 169 SER 2.28 0.50 1 170 HIS 6.67 4.57 1 171 LYS -5.81 -0.58 1 174 MET 4.49 2.51 1 175 GLN 4.51 2.50 1 176 SER 4.90 2.65 1 177 ILE 5.53 3.88 1 178 ILE 4.18 2.49 1 179 ASP 2.83 0.89 1 180 LYS 0.82 0.00 1 181 LEU 0.80 -0.40 1 182 GLN 0.96 1.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.83 _LACS_plot.Line_1_terminator_val_y_1 3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.07 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 -3.13 _LACS_plot.Y_axis_chem_shift_offset 0.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ARG -6.83 8.01 0 10 ARG 3.01 -1.59 1 11 ALA 2.24 -1.57 1 12 MET 2.17 -1.25 1 14 ALA 1.26 -1.08 1 15 ALA 1.10 -1.15 1 17 SER -0.25 -0.75 1 18 LEU 1.63 -1.44 1 20 GLU 0.00 -0.58 1 21 ARG 1.60 -1.30 1 22 THR 0.42 -0.54 1 23 VAL 1.57 -1.46 1 24 THR 1.31 -0.94 1 25 GLU 0.49 -0.68 1 26 LEU 1.48 -1.47 1 27 ILE 1.47 -1.73 1 28 LEU 1.31 -1.55 1 29 GLN 2.85 -1.65 1 30 HIS 2.58 -0.20 1 31 GLN 4.55 -1.08 1 34 GLN 3.89 -2.15 1 35 GLN 3.84 -2.19 1 36 LEU 3.92 -1.68 1 37 SER 4.51 -2.40 1 38 SER 5.24 -2.01 1 39 ASN 3.80 -1.92 1 40 LEU 5.64 -3.46 1 41 TRP 1.74 -1.28 1 42 ALA 3.69 -1.76 1 43 ALA 4.83 -2.92 1 44 VAL 5.73 -1.54 1 45 ARG 4.03 -2.20 1 46 ALA 3.33 -2.23 1 47 ARG 0.51 -2.66 1 50 GLN -3.67 3.82 1 51 PHE -3.14 1.69 1 52 LEU 3.68 -1.99 1 55 ALA 3.92 -1.94 1 56 MET 5.22 -2.35 1 57 GLN 6.62 -2.76 1 58 GLU 4.33 -1.70 1 59 GLU 4.12 -2.09 1 60 ALA 0.23 2.07 1 66 LEU 4.87 -4.90 1 67 ALA -4.04 2.42 1 69 GLU 5.54 -2.85 1 70 ASP 1.09 -2.58 1 72 SER 6.63 -4.41 1 73 ALA -2.42 -1.04 1 77 LYS 4.60 -1.36 1 79 LEU 4.17 -1.76 1 80 VAL 7.15 -2.71 1 90 ARG -0.35 0.21 1 91 PHE -1.09 -0.48 1 93 GLN 2.63 -2.65 1 94 ALA 1.79 -1.31 1 95 SER -5.56 2.50 1 96 LYS 0.33 3.24 1 97 THR 4.16 -1.92 1 98 SER 6.05 -6.33 1 99 ILE -0.64 1.53 1 101 HIS 6.43 -2.32 1 102 VAL 7.49 -2.83 1 103 VAL 5.27 -3.55 1 104 GLN 4.10 -0.58 1 105 LEU 3.78 -2.80 1 106 LEU 2.33 -0.49 1 107 TYR 3.57 -1.60 1 108 ARG -0.55 -0.70 1 109 ALA 2.86 -3.13 1 110 SER -2.70 0.21 1 112 PHE -0.89 -0.44 1 113 LYS -0.65 -0.22 1 115 THR 0.68 -1.04 1 116 LYS 2.79 -3.03 1 121 SER 3.04 -3.30 1 122 SER -0.64 0.10 1 126 LEU 2.89 -1.38 1 127 LYS 5.63 -1.67 1 128 GLU 3.70 -3.00 1 129 GLU -2.15 -1.39 1 130 PHE 3.33 -3.08 1 131 ARG -4.43 1.67 1 132 THR 6.70 -2.28 1 133 TYR 5.29 -2.09 1 134 GLU 1.64 0.08 1 135 ALA 4.01 -1.35 1 136 LEU 3.44 -3.70 1 137 ARG 6.65 -2.67 1 138 ARG 3.59 -1.99 1 139 GLU 5.70 -1.24 1 140 HIS 4.25 -1.82 1 141 ASP 3.97 -1.71 1 142 SER 4.74 -3.35 1 143 GLN 7.83 -3.26 1 144 ILE 6.48 -3.62 1 145 VAL 5.17 -1.65 1 146 GLN 6.37 -2.17 1 147 ILE 4.30 -1.64 1 148 ALA 4.76 -1.44 1 149 MET 3.68 -1.51 1 150 GLU 0.25 -1.39 1 151 ALA -0.30 -1.44 1 153 LEU 0.62 -2.00 1 154 ARG -0.99 0.23 1 155 ILE 0.62 -0.52 1 156 ALA 5.25 -2.93 1 158 ASP 4.28 -2.53 1 159 GLN 1.97 0.50 1 160 TRP 4.74 -0.96 1 161 SER 7.94 -4.11 1 162 SER 2.92 -0.64 1 163 LEU -0.06 -0.19 1 164 LEU 0.24 0.76 1 165 TYR -2.38 0.66 1 167 ASP 1.87 -1.09 1 169 SER 2.28 -1.78 1 170 HIS 6.67 -2.10 1 171 LYS -5.81 5.23 1 174 MET 4.49 -1.98 1 175 GLN 4.51 -2.01 1 176 SER 4.90 -2.25 1 177 ILE 5.53 -1.65 1 178 ILE 4.18 -1.69 1 179 ASP 2.83 -1.94 1 180 LYS 0.82 -0.82 1 181 LEU 0.80 -1.20 1 182 GLN 0.96 0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.83 _LACS_plot.Line_1_terminator_val_y_1 -1.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.21 _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 7.94 _LACS_plot.Line_2_terminator_val_y_2 2.90 _LACS_plot.Y_axis_chem_shift_offset -0.55 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 171 LYS -5.81 2.77 0 13 ARG -6.83 1.90 0 10 ARG 3.01 2.92 1 11 ALA 2.24 1.80 1 12 MET 2.17 -0.43 1 20 GLU 0.00 1.60 1 22 THR 0.42 3.71 1 23 VAL 1.57 3.59 1 34 GLN 3.89 4.47 1 35 GLN 3.84 1.68 1 36 LEU 3.92 1.15 1 37 SER 4.51 4.17 1 38 SER 5.24 -0.14 1 39 ASN 3.80 2.95 1 40 LEU 5.64 0.99 1 41 TRP 1.74 3.80 1 42 ALA 3.69 2.47 1 43 ALA 4.83 2.97 1 44 VAL 5.73 2.50 1 45 ARG 4.03 5.01 1 46 ALA 3.33 1.39 1 47 ARG 0.51 0.19 1 50 GLN -3.67 -3.49 1 51 PHE -3.14 -0.29 1 52 LEU 3.68 0.01 1 55 ALA 3.92 2.57 1 56 MET 5.22 1.48 1 57 GLN 6.62 3.35 1 58 GLU 4.33 1.36 1 59 GLU 4.12 2.85 1 60 ALA 0.23 -2.10 1 66 LEU 4.87 -2.13 1 67 ALA -4.04 -2.07 1 72 SER 6.63 1.60 1 79 LEU 4.17 0.40 1 80 VAL 7.15 2.00 1 90 ARG -0.35 -0.59 1 91 PHE -1.09 -1.32 1 93 GLN 2.63 1.26 1 94 ALA 1.79 -3.04 1 95 SER -5.56 -0.01 1 97 THR 4.16 2.38 1 98 SER 6.05 3.23 1 99 ILE -0.64 4.37 1 101 HIS 6.43 2.71 1 102 VAL 7.49 2.27 1 103 VAL 5.27 1.98 1 104 GLN 4.10 1.06 1 105 LEU 3.78 0.95 1 106 LEU 2.33 5.48 1 107 TYR 3.57 1.10 1 108 ARG -0.55 -2.28 1 109 ALA 2.86 1.25 1 110 SER -2.70 0.69 1 112 PHE -0.89 0.20 1 113 LYS -0.65 -0.10 1 115 THR 0.68 -0.43 1 116 LYS -0.64 0.71 1 126 LEU 2.89 1.43 1 127 LYS 5.63 1.66 1 128 GLU 3.70 0.52 1 129 GLU -2.15 -1.81 1 130 PHE 3.33 -0.86 1 131 ARG -4.43 -0.38 1 132 THR 6.70 0.72 1 133 TYR 5.29 2.84 1 134 GLU 1.64 2.66 1 135 ALA 4.01 1.48 1 136 LEU 3.44 1.96 1 137 ARG 6.65 2.13 1 138 ARG 3.59 3.01 1 139 GLU 5.70 1.72 1 140 HIS 4.25 1.56 1 141 ASP 3.97 1.55 1 142 SER 4.74 1.76 1 143 GLN 7.83 0.97 1 144 ILE 6.48 2.15 1 145 VAL 5.17 3.47 1 146 GLN 6.37 1.99 1 147 ILE 4.30 2.21 1 148 ALA 4.76 5.27 1 149 MET 3.68 1.80 1 150 GLU 0.25 -0.45 1 151 ALA -0.30 -1.30 1 153 LEU 0.62 -1.96 1 154 ARG -0.99 -1.18 1 155 ILE 0.62 1.76 1 156 ALA 5.25 2.20 1 158 ASP 4.28 2.99 1 159 GLN 1.97 2.81 1 160 TRP 4.74 3.24 1 161 SER 7.94 3.51 1 162 SER 2.92 1.10 1 163 LEU -0.06 0.06 1 164 LEU 0.24 0.98 1 165 TYR -2.38 0.84 1 167 ASP 1.87 0.32 1 169 SER 2.28 1.05 1 170 HIS 6.67 1.44 1 174 MET 4.49 1.54 1 175 GLN 4.51 2.55 1 176 SER 4.90 1.82 1 177 ILE 5.53 2.51 1 178 ILE 4.18 2.96 1 179 ASP 2.83 1.69 1 180 LYS 0.82 0.25 1 181 LEU 0.80 -0.46 1 182 GLN 0.96 4.94 1 stop_ save_