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 bmr17546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 -3.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 8.28 _LACS_plot.Line_2_terminator_val_y_2 6.22 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 HIS -7.48 0.47 0 10 ASP 4.41 3.94 1 11 GLN 4.01 3.03 1 12 ILE 4.38 3.38 1 13 LEU 4.41 3.29 1 14 ARG 4.47 3.95 1 15 ALA 3.01 2.17 1 16 THR 8.28 6.64 1 17 VAL 6.42 3.91 1 18 GLU 3.39 2.78 1 19 GLU 4.59 2.85 1 20 VAL 6.40 5.10 1 21 ARG 3.53 2.18 1 22 ALA 3.14 2.30 1 23 PHE 2.39 2.73 1 24 LEU -2.09 0.01 1 26 THR -3.72 -2.79 1 27 ASP 2.97 4.90 1 28 ARG -4.09 0.94 1 29 VAL -3.95 -1.71 1 30 LYS -4.47 -1.84 1 31 VAL -0.19 0.25 1 32 TYR -6.15 -2.54 1 33 ARG -4.47 -1.14 1 34 PHE 1.71 2.04 1 35 ASP -1.12 -0.12 1 37 GLU 0.69 0.64 1 39 HIS -0.29 1.20 1 41 THR -3.89 -1.33 1 42 VAL 3.38 1.08 1 43 VAL -0.57 -0.94 1 44 ALA -3.45 -0.47 1 45 GLU -7.26 -0.64 1 46 ALA -4.93 -1.62 1 47 ARG -5.60 -1.30 1 50 GLU -1.64 -1.46 1 51 ARG 4.57 4.22 1 52 LEU -4.42 -2.45 1 54 SER -1.50 -1.24 1 55 LEU -2.95 -2.09 1 56 LEU 2.99 2.24 1 58 LEU 0.30 0.14 1 59 THR -2.95 -1.36 1 60 PHE -2.06 -2.42 1 61 ALA 2.92 2.25 1 63 ASP 3.97 2.45 1 64 ILE -2.45 -3.10 1 65 GLU 5.07 3.67 1 66 ALA 3.25 1.52 1 67 ARG 6.13 4.82 1 68 ARG 4.45 3.76 1 69 LEU 3.66 2.70 1 70 PHE 2.53 3.21 1 71 ARG 2.74 3.69 1 72 LEU 0.87 1.32 1 73 ALA -3.54 -1.23 1 74 GLN 4.62 2.02 1 75 VAL 0.14 -0.52 1 76 ARG 4.22 0.03 1 77 VAL -2.41 -0.46 1 78 ILE -3.25 -1.17 1 79 VAL -2.75 -0.78 1 80 ASP -2.49 -1.50 1 81 VAL 5.18 4.97 1 82 GLU 3.28 2.62 1 83 ALA -0.28 -0.63 1 84 GLN 4.53 1.03 1 85 SER -4.10 -1.39 1 86 ARG -5.14 -2.46 1 87 SER -2.95 -1.27 1 88 ILE -6.64 -2.37 1 89 SER -2.70 -0.92 1 90 GLN -2.85 -1.63 1 93 ALA 2.47 2.32 1 94 ARG -0.56 -0.19 1 95 VAL -1.88 -2.16 1 96 GLU 2.42 5.84 1 98 LEU 3.39 2.14 1 99 GLN -3.80 -1.11 1 100 ARG 2.68 1.07 1 102 VAL -2.52 -1.79 1 106 HIS -1.41 2.09 1 107 VAL 6.60 5.35 1 108 HIS 3.84 5.10 1 109 TYR 2.92 3.61 1 110 LEU 2.97 2.20 1 111 LYS 4.79 4.00 1 112 SER 4.50 3.30 1 113 MET -0.77 1.24 1 115 VAL 0.73 0.76 1 116 ALA -2.15 -0.83 1 117 SER -3.13 -2.20 1 118 SER -3.79 -2.00 1 119 LEU -2.54 -1.06 1 120 VAL -3.78 -1.16 1 121 VAL -5.06 -1.51 1 123 LEU -3.36 -2.33 1 124 MET -1.89 -2.81 1 125 HIS -5.02 -2.09 1 127 GLN 1.58 0.84 1 128 GLU -3.31 -1.89 1 129 LEU -0.92 -0.53 1 130 TRP 0.35 2.67 1 132 LEU -5.82 -1.67 1 133 LEU -2.78 -1.03 1 134 VAL -4.42 -1.32 1 135 SER -2.69 -2.29 1 137 HIS 0.90 1.19 1 138 ALA -3.47 -0.97 1 139 GLU -2.80 -0.33 1 141 TYR -4.31 -2.14 1 142 SER 4.31 4.33 1 143 GLN 2.99 3.28 1 144 GLU 3.36 3.27 1 145 GLN 6.42 5.14 1 146 VAL 3.29 -0.86 1 147 VAL 3.73 3.05 1 148 LEU 4.42 3.02 1 149 LEU 4.64 3.27 1 150 ALA 4.47 3.18 1 151 ASP 3.81 2.35 1 152 GLN 7.35 4.81 1 153 VAL 5.28 4.37 1 154 SER 4.65 3.99 1 155 ILE 3.28 2.54 1 156 ALA 5.36 4.43 1 157 ILE 3.33 2.11 1 158 ALA 2.94 2.25 1 159 GLN 1.95 1.89 1 160 ALA 1.37 1.34 1 161 GLU 1.42 1.21 1 162 LEU 1.39 1.11 1 163 SER 0.98 0.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 4.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 8.28 _LACS_plot.Line_2_terminator_val_y_2 -2.06 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 HIS -7.48 7.95 0 10 ASP 4.41 -0.47 1 11 GLN 4.01 -0.98 1 12 ILE 4.38 -1.00 1 13 LEU 4.41 -1.12 1 14 ARG 4.47 -0.52 1 15 ALA 3.01 -0.84 1 16 THR 8.28 -1.64 1 17 VAL 6.42 -2.51 1 18 GLU 3.39 -0.61 1 19 GLU 4.59 -1.74 1 20 VAL 6.40 -1.30 1 21 ARG 3.53 -1.35 1 22 ALA 3.14 -0.84 1 23 PHE 2.39 0.34 1 24 LEU -2.09 2.10 1 26 THR -3.72 0.93 1 27 ASP 2.97 1.93 1 28 ARG -4.09 5.03 1 29 VAL -3.95 2.24 1 30 LYS -4.47 2.63 1 31 VAL -0.19 0.44 1 32 TYR -6.15 3.61 1 33 ARG -4.47 3.33 1 34 PHE 1.71 0.33 1 35 ASP -1.12 1.00 1 37 GLU 0.69 -0.05 1 39 HIS -0.29 1.49 1 41 THR -3.89 2.56 1 42 VAL 3.38 -2.30 1 43 VAL -0.57 -0.37 1 44 ALA -3.45 2.98 1 45 GLU -7.26 6.62 1 46 ALA -4.93 3.31 1 47 ARG -5.60 4.30 1 50 GLU -1.64 0.18 1 51 ARG 4.57 -0.35 1 52 LEU -4.42 1.97 1 54 SER -1.50 0.26 1 55 LEU -2.95 0.86 1 56 LEU 2.99 -0.75 1 58 LEU 0.30 -0.16 1 59 THR -2.95 1.59 1 60 PHE -2.06 -0.36 1 61 ALA 2.92 -0.67 1 63 ASP 3.97 -1.52 1 64 ILE -2.45 -0.65 1 65 GLU 5.07 -1.40 1 66 ALA 3.25 -1.73 1 67 ARG 6.13 -1.31 1 68 ARG 4.45 -0.69 1 69 LEU 3.66 -0.96 1 70 PHE 2.53 0.68 1 71 ARG 2.74 0.95 1 72 LEU 0.87 0.45 1 73 ALA -3.54 2.31 1 74 GLN 4.62 -2.60 1 75 VAL 0.14 -0.66 1 76 ARG 4.22 -4.19 1 77 VAL -2.41 1.95 1 78 ILE -3.25 2.08 1 79 VAL -2.75 1.97 1 80 ASP -2.49 0.99 1 81 VAL 5.18 -0.21 1 82 GLU 3.28 -0.66 1 83 ALA -0.28 -0.35 1 84 GLN 4.53 -3.50 1 85 SER -4.10 2.71 1 86 ARG -5.14 2.68 1 87 SER -2.95 1.68 1 88 ILE -6.64 4.27 1 89 SER -2.70 1.78 1 90 GLN -2.85 1.22 1 93 ALA 2.47 -0.15 1 94 ARG -0.56 0.37 1 95 VAL -1.88 -0.28 1 96 GLU 2.42 3.42 1 98 LEU 3.39 -1.25 1 99 GLN -3.80 2.69 1 100 ARG 2.68 -1.61 1 102 VAL -2.52 0.73 1 106 HIS -1.41 3.50 1 107 VAL 6.60 -1.25 1 108 HIS 3.84 1.26 1 109 TYR 2.92 0.69 1 110 LEU 2.97 -0.77 1 111 LYS 4.79 -0.79 1 112 SER 4.50 -1.20 1 113 MET -0.77 2.01 1 115 VAL 0.73 0.03 1 116 ALA -2.15 1.32 1 117 SER -3.13 0.93 1 118 SER -3.79 1.79 1 119 LEU -2.54 1.48 1 120 VAL -3.78 2.62 1 121 VAL -5.06 3.55 1 123 LEU -3.36 1.03 1 124 MET -1.89 -0.92 1 125 HIS -5.02 2.93 1 127 GLN 1.58 -0.74 1 128 GLU -3.31 1.42 1 129 LEU -0.92 0.39 1 130 TRP 0.35 2.32 1 132 LEU -5.82 4.15 1 133 LEU -2.78 1.75 1 134 VAL -4.42 3.10 1 135 SER -2.69 0.40 1 137 HIS 0.90 0.29 1 138 ALA -3.47 2.50 1 139 GLU -2.80 2.47 1 141 TYR -4.31 2.17 1 142 SER 4.31 0.02 1 143 GLN 2.99 0.29 1 144 GLU 3.36 -0.09 1 145 GLN 6.42 -1.28 1 146 VAL 3.29 -4.15 1 147 VAL 3.73 -0.68 1 148 LEU 4.42 -1.40 1 149 LEU 4.64 -1.37 1 150 ALA 4.47 -1.29 1 151 ASP 3.81 -1.46 1 152 GLN 7.35 -2.54 1 153 VAL 5.28 -0.91 1 154 SER 4.65 -0.66 1 155 ILE 3.28 -0.74 1 156 ALA 5.36 -0.93 1 157 ILE 3.33 -1.22 1 158 ALA 2.94 -0.69 1 159 GLN 1.95 -0.06 1 160 ALA 1.37 -0.03 1 161 GLU 1.42 -0.21 1 162 LEU 1.39 -0.28 1 163 SER 0.98 -0.21 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 1.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 8.28 _LACS_plot.Line_2_terminator_val_y_2 -0.99 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 GLU -7.26 -0.47 0 10 ASP 4.41 -0.41 1 11 GLN 4.01 -0.29 1 12 ILE 4.38 -0.43 1 13 LEU 4.41 -0.51 1 14 ARG 4.47 -0.37 1 15 ALA 3.01 -0.17 1 16 THR 8.28 -0.71 1 17 VAL 6.42 -0.35 1 18 GLU 3.39 -0.43 1 20 VAL 6.40 -0.58 1 22 ALA 3.14 -0.18 1 23 PHE 2.39 -0.28 1 24 LEU -2.09 -0.58 1 26 THR -3.72 0.43 1 28 ARG -4.09 0.87 1 29 VAL -3.95 1.36 1 30 LYS -4.47 1.08 1 31 VAL -0.19 0.67 1 32 TYR -6.15 0.35 1 33 ARG -4.47 -0.45 1 34 PHE 1.71 -0.06 1 35 ASP -1.12 -0.08 1 37 GLU 0.69 -0.16 1 39 HIS -0.29 0.01 1 41 THR -3.89 1.02 1 43 VAL -0.57 0.46 1 44 ALA -3.45 0.25 1 46 ALA -4.93 0.57 1 47 ARG -5.60 1.02 1 50 GLU -1.64 0.24 1 51 ARG 4.57 -0.10 1 55 LEU -2.95 0.44 1 56 LEU 2.99 -0.77 1 58 LEU 0.30 0.03 1 59 THR -2.95 1.30 1 61 ALA 2.92 -0.49 1 63 ASP 3.97 -0.59 1 64 ILE -2.45 -0.45 1 65 GLU 5.07 -0.44 1 66 ALA 3.25 -0.42 1 68 ARG 4.45 -0.44 1 69 LEU 3.66 -0.29 1 70 PHE 2.53 -0.17 1 71 ARG 2.74 -0.35 1 72 LEU 0.87 0.08 1 73 ALA -3.54 0.43 1 74 GLN 4.62 0.03 1 75 VAL 0.14 0.15 1 76 ARG 4.22 0.99 1 77 VAL -2.41 0.59 1 78 ILE -3.25 1.21 1 79 VAL -2.75 0.76 1 80 ASP -2.49 0.31 1 81 VAL 5.18 -0.97 1 82 GLU 3.28 -0.34 1 83 ALA -0.28 -0.12 1 84 GLN 4.53 -0.96 1 85 SER -4.10 0.50 1 86 ARG -5.14 1.06 1 87 SER -2.95 1.36 1 88 ILE -6.64 1.64 1 89 SER -2.70 -0.45 1 93 ALA 2.47 -0.06 1 94 ARG -0.56 -0.06 1 98 LEU 3.39 -0.24 1 99 GLN -3.80 1.20 1 102 VAL -2.52 -0.23 1 106 HIS -1.41 -0.14 1 107 VAL 6.60 -0.98 1 109 TYR 2.92 -0.61 1 110 LEU 2.97 -0.61 1 111 LYS 4.79 -0.42 1 112 SER 4.50 -0.40 1 113 MET -0.77 -0.28 1 115 VAL 0.73 -0.74 1 116 ALA -2.15 0.15 1 117 SER -3.13 0.82 1 118 SER -3.79 1.21 1 119 LEU -2.54 0.93 1 120 VAL -3.78 0.95 1 121 VAL -5.06 0.30 1 123 LEU -3.36 0.34 1 127 GLN 1.58 0.05 1 128 GLU -3.31 0.10 1 129 LEU -0.92 0.49 1 130 TRP 0.35 -0.13 1 132 LEU -5.82 0.55 1 133 LEU -2.78 0.70 1 134 VAL -4.42 0.87 1 135 SER -2.69 0.95 1 136 HIS -7.48 0.83 1 137 HIS 0.90 0.21 1 138 ALA -2.80 0.14 1 141 TYR 6.42 -0.58 1 146 VAL 3.73 -0.15 1 148 LEU 4.42 -0.36 1 149 LEU 4.64 -0.63 1 150 ALA 4.47 -0.32 1 151 ASP 7.35 -0.83 1 153 VAL 4.65 -0.50 1 155 ILE 3.28 -0.36 1 156 ALA 5.36 -1.10 1 157 ILE 3.33 -0.45 1 158 ALA 2.94 -0.26 1 159 GLN 1.95 -0.13 1 160 ALA 1.37 -0.17 1 161 GLU 1.42 -0.06 1 162 LEU 1.39 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 -2.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 8.28 _LACS_plot.Line_2_terminator_val_y_2 2.88 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 HIS -7.48 2.10 0 10 ASP 4.41 2.39 1 11 GLN 4.01 2.97 1 12 ILE 4.38 3.35 1 13 LEU 4.41 0.82 1 14 ARG 4.47 1.48 1 15 ALA 3.01 2.26 1 16 THR 8.28 1.87 1 17 VAL 6.42 1.36 1 18 GLU 3.39 3.29 1 19 GLU 4.59 2.55 1 20 VAL 6.40 0.97 1 21 ARG 3.53 0.82 1 22 ALA 3.14 1.85 1 23 PHE 2.39 1.15 1 24 LEU -2.09 0.46 1 26 THR -3.72 1.41 1 27 ASP 2.97 2.41 1 28 ARG -4.09 -3.00 1 29 VAL -3.95 -1.72 1 30 LYS -4.47 -0.29 1 31 VAL -0.19 -3.13 1 32 TYR -6.15 -3.03 1 33 ARG -4.47 -0.43 1 34 PHE 1.71 -0.29 1 37 GLU 0.69 0.65 1 39 HIS -0.29 -0.81 1 41 THR -3.89 -0.43 1 42 VAL 3.38 -0.47 1 43 VAL -0.57 -0.94 1 44 ALA -3.45 -2.78 1 45 GLU -7.26 -3.76 1 46 ALA -4.93 -2.00 1 47 ARG -5.60 0.02 1 50 GLU -1.64 0.33 1 51 ARG 4.57 0.50 1 54 SER -1.50 2.14 1 55 LEU -2.95 -1.39 1 56 LEU 2.99 0.11 1 58 LEU 0.30 -1.56 1 59 THR -2.95 -0.52 1 61 ALA 2.92 2.86 1 63 ASP 3.97 -0.32 1 65 GLU 5.07 1.87 1 66 ALA 3.25 2.45 1 67 ARG 6.13 1.42 1 68 ARG 4.45 1.59 1 69 LEU 3.66 3.10 1 70 PHE 2.53 1.04 1 71 ARG 2.74 1.00 1 72 LEU 0.87 0.84 1 73 ALA -3.54 -2.57 1 74 GLN 4.62 -0.88 1 75 VAL 0.14 -3.01 1 76 ARG 4.22 0.88 1 77 VAL -2.41 -0.48 1 78 ILE -3.25 -0.31 1 79 VAL -2.75 -1.24 1 80 ASP -2.49 0.11 1 81 VAL 5.18 0.97 1 82 GLU 3.28 1.83 1 83 ALA -0.28 -1.37 1 84 GLN 4.53 -0.81 1 85 SER -4.10 0.09 1 86 ARG -5.14 -0.88 1 87 SER -2.95 -0.80 1 88 ILE -6.64 -1.79 1 89 SER -2.70 -1.37 1 93 ALA 2.47 -0.86 1 94 ARG -0.56 0.00 1 98 LEU 3.39 -0.45 1 99 GLN -3.80 -1.41 1 102 VAL -2.52 -2.07 1 106 HIS -1.41 2.19 1 107 VAL 6.60 0.67 1 108 HIS 3.84 3.61 1 109 TYR 2.92 2.30 1 110 LEU 2.97 2.04 1 111 LYS 4.79 5.28 1 112 SER 4.50 0.38 1 113 MET -0.77 0.18 1 115 VAL 0.73 -2.17 1 116 ALA -2.15 -0.20 1 117 SER -3.13 -1.44 1 118 SER -3.79 -3.34 1 119 LEU -2.54 -3.22 1 120 VAL -3.78 -2.36 1 123 LEU -3.36 -2.29 1 124 MET -1.89 -0.59 1 127 GLN 1.58 -0.56 1 128 GLU -3.31 -1.27 1 129 LEU -0.92 -3.37 1 130 TRP 0.35 1.68 1 132 LEU -5.82 -3.50 1 133 LEU -2.78 -5.50 1 134 VAL -4.42 -1.12 1 135 SER -2.69 0.02 1 137 HIS 0.90 -3.16 1 138 ALA -2.80 -0.08 1 141 TYR 4.31 2.82 1 143 GLN 3.36 4.32 1 145 GLN 6.42 0.86 1 146 VAL 3.73 3.25 1 148 LEU 4.42 1.15 1 149 LEU 4.64 1.93 1 150 ALA 4.47 3.44 1 151 ASP 3.81 2.67 1 152 GLN 7.35 0.87 1 153 VAL 5.28 2.50 1 154 SER 4.65 1.61 1 155 ILE 3.28 2.58 1 156 ALA 5.36 1.23 1 157 ILE 3.33 2.65 1 158 ALA 2.94 2.02 1 159 GLN 1.95 1.85 1 160 ALA 1.37 1.24 1 161 GLU 1.42 0.78 1 162 LEU 1.39 0.44 1 stop_ save_