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 bmr18612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.06 _LACS_plot.Line_1_terminator_val_y_1 -3.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.38 _LACS_plot.Line_2_terminator_val_y_2 5.77 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 LEU -6.72 -8.10 0 10 VAL 5.68 4.83 1 11 LYS 4.38 3.67 1 12 LEU 3.38 2.82 1 13 GLN 4.58 1.70 1 15 GLU 2.81 2.37 1 16 ARG 4.47 2.97 1 17 VAL 6.09 5.25 1 18 ARG 4.69 4.06 1 20 LEU 2.77 2.79 1 21 LYS 4.32 3.81 1 22 GLN 3.86 3.06 1 23 GLN 0.11 -0.02 1 24 LYS 5.08 0.83 1 25 ALA -2.70 -0.48 1 26 SER 0.06 0.09 1 27 ALA 3.41 3.08 1 28 GLU 3.92 3.10 1 29 LEU 3.27 2.47 1 30 ILE 6.19 5.21 1 31 GLU 3.70 3.24 1 32 GLU 2.84 2.78 1 33 GLU 3.50 1.78 1 34 VAL 5.71 4.65 1 35 ALA 5.09 3.24 1 36 LYS 3.84 3.60 1 37 LEU 3.78 3.41 1 38 LEU 4.61 3.17 1 39 LYS 3.69 3.25 1 40 LEU 2.15 2.84 1 41 LYS 4.48 3.88 1 42 ALA 2.98 1.78 1 43 GLN 1.53 1.71 1 44 LEU 0.95 0.98 1 47 ASP 0.38 0.28 1 48 GLU -0.32 0.33 1 49 SER 1.42 1.08 1 50 LYS 2.97 0.32 1 51 GLN 0.12 1.51 1 52 LYS 0.46 0.28 1 53 PHE -0.05 -0.06 1 54 VAL -0.50 -0.22 1 55 LEU 0.05 -0.04 1 56 LYS -0.38 -0.29 1 57 THR -3.78 -2.84 1 59 LYS 0.33 0.32 1 60 ALA 0.48 0.36 1 61 LEU 0.65 0.49 1 62 GLU -0.00 0.33 1 64 LYS 3.52 -0.11 1 65 ILE 0.33 0.08 1 66 ARG -0.06 0.07 1 67 THR 0.03 -0.15 1 68 THR -0.16 -0.75 1 69 GLU -0.92 -0.20 1 70 THR 3.91 2.88 1 71 GLN -0.97 1.70 1 72 VAL -6.08 -3.58 1 73 LEU -5.04 -2.36 1 74 VAL 1.10 -0.11 1 75 ALA -6.42 -1.60 1 76 SER -3.52 -1.36 1 77 ALA -0.39 0.25 1 78 GLN -0.22 0.93 1 85 ARG 3.66 4.68 1 86 LEU 3.90 3.09 1 87 LYS 3.38 3.18 1 88 LEU 3.75 2.58 1 89 VAL 7.07 5.55 1 90 SER 4.73 3.70 1 91 GLU 2.51 2.84 1 92 LEU 4.84 3.02 1 93 GLN 4.77 3.35 1 94 ASP 3.74 2.90 1 95 ALA -1.68 -0.76 1 97 ILE -1.62 -2.45 1 98 LYS 1.39 -0.28 1 99 ALA -9.06 -3.29 1 100 GLU -7.91 -1.89 1 101 LEU -2.02 -0.34 1 102 LEU 4.53 3.36 1 103 TYR -1.86 -1.93 1 104 LYS 0.46 0.28 1 113 LEU 5.13 3.32 1 114 GLN 4.48 3.27 1 115 TYR 4.16 3.13 1 117 GLU 2.75 2.55 1 118 GLU 2.27 2.18 1 119 ALA 0.17 0.15 1 121 ILE 0.70 1.95 1 123 LEU -6.07 -1.41 1 124 VAL -4.98 -2.62 1 125 ALA -4.26 -3.30 1 126 ILE -1.14 -0.14 1 127 ILE -3.86 -1.66 1 129 GLU 3.40 3.80 1 130 GLN 3.72 2.72 1 131 GLU 6.34 4.61 1 132 LEU 1.60 1.02 1 133 LYS 4.01 3.38 1 134 ASP 0.67 0.95 1 136 VAL -5.23 -2.25 1 137 ILE -4.53 -2.54 1 138 LYS -0.60 -0.48 1 139 LEU -4.17 -1.81 1 140 ARG 0.60 -2.31 1 142 VAL 3.96 3.75 1 143 THR 7.38 7.60 1 144 SER -0.63 0.07 1 145 ARG 5.00 2.30 1 146 GLU -1.41 0.33 1 147 GLU -5.50 -1.66 1 148 VAL -5.33 -2.54 1 149 ASP 0.03 -0.29 1 150 VAL -4.68 -2.56 1 151 ARG 2.12 1.11 1 152 ARG 4.92 4.03 1 153 GLU 3.69 2.37 1 154 ASP -1.00 0.19 1 155 LEU 3.84 4.07 1 156 VAL 7.13 5.46 1 158 GLU 1.12 0.69 1 159 ILE 5.50 4.65 1 160 LYS 3.34 3.33 1 161 ARG 1.17 2.06 1 162 ARG -0.20 0.02 1 163 THR 0.21 0.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.06 _LACS_plot.Line_1_terminator_val_y_1 5.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 7.38 _LACS_plot.Line_2_terminator_val_y_2 -1.61 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 LEU -6.72 -1.38 0 10 VAL 5.68 -0.85 1 11 LYS 4.38 -0.71 1 12 LEU 3.38 -0.56 1 13 GLN 4.58 -2.88 1 15 GLU 2.81 -0.44 1 16 ARG 4.47 -1.50 1 17 VAL 6.09 -0.84 1 18 ARG 4.69 -0.63 1 20 LEU 2.77 0.02 1 21 LYS 4.32 -0.51 1 22 GLN 3.86 -0.80 1 23 GLN 0.11 -0.13 1 24 LYS 5.08 -4.25 1 25 ALA -2.70 2.22 1 26 SER 0.06 0.03 1 27 ALA 3.41 -0.33 1 28 GLU 3.92 -0.82 1 29 LEU 3.27 -0.80 1 30 ILE 6.19 -0.98 1 31 GLU 3.70 -0.46 1 32 GLU 2.84 -0.06 1 33 GLU 3.50 -1.72 1 34 VAL 5.71 -1.06 1 35 ALA 5.09 -1.85 1 36 LYS 3.84 -0.24 1 37 LEU 3.78 -0.37 1 38 LEU 4.61 -1.44 1 39 LYS 3.69 -0.44 1 40 LEU 2.15 0.69 1 41 LYS 4.48 -0.60 1 42 ALA 2.98 -1.20 1 43 GLN 1.53 0.18 1 44 LEU 0.95 0.03 1 47 ASP 0.38 -0.10 1 48 GLU -0.32 0.65 1 49 SER 1.42 -0.34 1 50 LYS 2.97 -2.65 1 51 GLN 0.12 1.39 1 52 LYS 0.46 -0.18 1 53 PHE -0.05 -0.01 1 54 VAL -0.50 0.28 1 55 LEU 0.05 -0.09 1 56 LYS -0.38 0.09 1 57 THR -3.78 0.94 1 59 LYS 0.33 -0.01 1 60 ALA 0.48 -0.12 1 61 LEU 0.65 -0.16 1 62 GLU -0.00 0.33 1 64 LYS 3.52 -3.63 1 65 ILE 0.33 -0.25 1 66 ARG -0.06 0.13 1 67 THR 0.03 -0.18 1 68 THR -0.16 -0.59 1 69 GLU -0.92 0.72 1 70 THR 3.91 -1.03 1 71 GLN -0.97 2.67 1 72 VAL -6.08 2.50 1 73 LEU -5.04 2.68 1 74 VAL 1.10 -1.21 1 75 ALA -6.42 4.82 1 76 SER -3.52 2.16 1 77 ALA -0.39 0.64 1 78 GLN -0.22 1.15 1 85 ARG 3.66 1.02 1 86 LEU 3.90 -0.81 1 87 LYS 3.38 -0.20 1 88 LEU 3.75 -1.17 1 89 VAL 7.07 -1.52 1 90 SER 4.73 -1.03 1 91 GLU 2.51 0.33 1 92 LEU 4.84 -1.82 1 93 GLN 4.77 -1.42 1 94 ASP 3.74 -0.84 1 95 ALA -1.68 0.92 1 97 ILE -1.62 -0.83 1 98 LYS 1.39 -1.67 1 99 ALA -9.06 5.77 1 100 GLU -7.91 6.02 1 101 LEU -2.02 1.68 1 102 LEU 4.53 -1.17 1 103 TYR -1.86 -0.07 1 104 LYS 0.46 -0.18 1 113 LEU 5.13 -1.81 1 114 GLN 4.48 -1.21 1 115 TYR 4.16 -1.03 1 117 GLU 2.75 -0.20 1 118 GLU 2.27 -0.09 1 119 ALA 0.17 -0.02 1 121 ILE 0.70 1.25 1 123 LEU -6.07 4.66 1 124 VAL -4.98 2.36 1 125 ALA -4.26 0.96 1 126 ILE -1.14 1.00 1 127 ILE -3.86 2.20 1 129 GLU 3.40 0.40 1 130 GLN 3.72 -1.00 1 131 GLU 6.34 -1.73 1 132 LEU 1.60 -0.58 1 133 LYS 4.01 -0.63 1 134 ASP 0.67 0.28 1 136 VAL -5.23 2.98 1 137 ILE -4.53 1.99 1 138 LYS -0.60 0.12 1 139 LEU -4.17 2.36 1 140 ARG 0.60 -2.91 1 142 VAL 3.96 -0.21 1 143 THR 7.38 0.22 1 144 SER -0.63 0.70 1 145 ARG 5.00 -2.70 1 146 GLU -1.41 1.74 1 147 GLU -5.50 3.84 1 148 VAL -5.33 2.79 1 149 ASP 0.03 -0.32 1 150 VAL -4.68 2.12 1 151 ARG 2.12 -1.01 1 152 ARG 4.92 -0.89 1 153 GLU 3.69 -1.32 1 154 ASP -1.00 1.19 1 155 LEU 3.84 0.23 1 156 VAL 7.13 -1.67 1 158 GLU 1.12 -0.43 1 159 ILE 5.50 -0.85 1 160 LYS 3.34 -0.01 1 161 ARG 1.17 0.89 1 162 ARG -0.20 0.22 1 163 THR 0.21 0.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18612_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.06 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 7.38 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 99 ALA -9.06 1.44 0 140 ARG 0.60 0.92 0 10 VAL 5.68 -0.66 1 11 LYS 4.38 -0.28 1 12 LEU 3.38 -0.23 1 13 GLN 4.58 -0.01 1 15 GLU 2.81 -0.20 1 16 ARG 4.47 -0.20 1 17 VAL 6.09 -0.71 1 18 ARG 4.69 -0.41 1 20 LEU 2.77 -0.29 1 21 LYS 4.32 -0.26 1 22 GLN 3.86 -0.25 1 23 GLN 0.11 -0.08 1 24 LYS 5.08 -0.41 1 25 ALA -2.70 -0.04 1 26 SER 0.06 -0.23 1 27 ALA 3.41 -0.34 1 28 GLU 3.92 -0.28 1 29 LEU 3.27 -0.03 1 30 ILE 6.19 -0.77 1 31 GLU 3.70 -0.38 1 32 GLU 2.84 -0.20 1 33 GLU 3.50 -0.13 1 34 VAL 5.71 -0.48 1 35 ALA 5.09 -0.22 1 36 LYS 3.84 -0.32 1 37 LEU 3.78 -0.34 1 38 LEU 4.61 -0.36 1 39 LYS 3.69 -0.24 1 40 LEU 2.15 -0.23 1 41 LYS 4.48 -0.47 1 42 ALA 2.98 -0.13 1 43 GLN 1.53 -0.20 1 44 LEU 0.95 -0.13 1 47 ASP 0.38 -0.06 1 48 GLU -0.32 -0.11 1 49 SER 1.42 -0.12 1 50 LYS 2.97 0.12 1 51 GLN 0.12 -0.14 1 52 LYS 0.46 0.00 1 53 PHE -0.05 0.02 1 54 VAL -0.50 -0.08 1 55 LEU 0.05 -0.03 1 56 LYS -0.38 0.05 1 57 THR -3.78 0.00 1 59 LYS 0.33 -0.09 1 60 ALA 0.48 -0.04 1 61 LEU 0.65 -0.06 1 62 GLU -0.00 -0.07 1 64 LYS 3.52 -0.08 1 65 ILE 0.33 -0.03 1 66 ARG -0.06 0.13 1 67 THR 0.03 0.10 1 68 THR -0.16 0.15 1 69 GLU -0.92 0.03 1 70 THR 3.91 -0.61 1 71 GLN -0.97 -0.05 1 72 VAL -6.08 0.78 1 73 LEU -5.04 0.75 1 74 VAL 1.10 0.65 1 75 ALA -6.42 0.49 1 76 SER -3.52 0.48 1 77 ALA -0.39 0.14 1 78 GLN -0.22 0.10 1 81 LEU -6.72 0.22 1 85 ARG 3.66 -0.47 1 86 LEU 3.90 -0.51 1 87 LYS 3.38 -0.30 1 88 LEU 3.75 -0.13 1 89 VAL 7.07 -0.80 1 90 SER 4.73 -0.26 1 91 GLU 2.51 -0.31 1 92 LEU 4.84 -0.39 1 93 GLN 4.77 0.21 1 94 ASP 3.74 -0.18 1 95 ALA -1.68 0.19 1 97 ILE -1.62 0.08 1 98 LYS 1.39 0.19 1 100 GLU -7.91 0.48 1 101 LEU -2.02 0.37 1 102 LEU 4.53 -0.31 1 103 TYR -1.86 0.03 1 104 LYS 0.46 -0.18 1 113 LEU 5.13 -0.36 1 114 GLN 4.48 -0.30 1 115 TYR 4.16 -0.26 1 117 GLU 2.75 -0.50 1 118 GLU 2.27 -0.38 1 119 ALA 0.17 -0.15 1 121 ILE 0.70 -0.16 1 123 LEU -6.07 1.16 1 124 VAL -4.98 0.92 1 125 ALA -4.26 0.84 1 126 ILE -1.14 0.33 1 127 ILE -3.86 0.47 1 129 GLU 3.40 -0.40 1 130 GLN 3.72 -0.46 1 131 GLU 6.34 -0.41 1 132 LEU 1.60 0.02 1 133 LYS 4.01 -0.24 1 134 ASP 0.67 0.03 1 136 VAL -5.23 0.78 1 137 ILE -4.53 0.00 1 138 LYS -0.60 0.60 1 139 LEU -4.17 0.86 1 142 VAL 3.96 -0.57 1 143 THR 7.38 -0.19 1 144 SER -0.63 0.04 1 145 ARG 5.00 -0.51 1 146 GLU -1.41 -0.08 1 147 GLU -5.50 0.97 1 148 VAL -5.33 0.41 1 149 ASP 0.03 0.51 1 150 VAL -4.68 0.28 1 151 ARG 2.12 0.07 1 152 ARG 4.92 -0.67 1 153 GLU 3.69 -0.15 1 154 ASP -1.00 0.38 1 155 LEU 3.84 -0.53 1 156 VAL 7.13 -0.87 1 158 GLU 1.12 -0.21 1 159 ILE 5.50 -0.54 1 160 LYS 3.34 -0.27 1 161 ARG 1.17 -0.10 1 162 ARG -0.20 0.20 1 163 THR 0.21 -0.40 1 stop_ save_