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 bmr26061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.78 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.63 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 5.87 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 HIS -7.20 -1.32 0 63 HIS 1.84 5.27 0 10 VAL -5.07 -1.93 1 12 VAL -0.31 -0.26 1 15 SER -1.15 0.01 1 16 GLU 4.25 3.85 1 17 GLU 0.57 1.39 1 18 ASP -2.81 -0.82 1 19 LEU 4.17 4.02 1 20 VAL 6.85 4.84 1 21 ALA 3.28 2.50 1 22 ALA 3.26 2.73 1 23 GLN 4.36 3.02 1 24 ASP 4.71 3.20 1 25 LEU 5.48 2.67 1 26 VAL 7.86 6.11 1 27 SER 4.62 3.52 1 28 TYR 2.88 2.99 1 29 LEU 4.55 2.85 1 30 GLU 1.76 2.05 1 33 THR 3.12 2.22 1 34 ALA 0.42 0.18 1 35 SER 1.90 0.30 1 36 LEU -1.46 -0.68 1 37 ARG -0.64 -1.55 1 38 ALA -7.78 -2.46 1 39 PHE -3.73 -2.19 1 40 LEU 0.03 -1.86 1 42 LEU -0.92 -0.71 1 43 ARG 1.20 -0.21 1 44 ASP -0.84 -0.45 1 45 ALA -0.58 -0.24 1 46 THR -1.37 -1.74 1 50 ALA -0.37 -0.20 1 51 ILE 0.57 0.02 1 52 VAL 0.32 0.09 1 58 ALA 2.15 2.00 1 61 SER -0.74 0.00 1 62 SER -5.12 -2.53 1 65 ARG -3.80 -1.61 1 66 VAL -4.07 -2.44 1 67 LEU -2.11 -2.14 1 68 LEU 0.39 -1.13 1 69 ILE 5.53 2.23 1 70 THR -1.32 -1.59 1 73 PHE 2.77 3.52 1 74 LEU 2.41 1.38 1 75 GLN -0.76 -0.50 1 76 ASP -3.77 -1.45 1 78 TRP 5.44 4.70 1 80 LYS 5.70 4.17 1 81 TYR 4.78 3.55 1 82 GLN 3.66 1.96 1 83 MET 3.31 3.82 1 84 LEU 4.23 2.82 1 85 GLN 3.51 2.71 1 86 ALA 1.96 1.49 1 87 LEU 1.63 0.68 1 88 THR 0.70 0.77 1 89 GLU -0.15 0.18 1 90 ALA -0.44 -1.44 1 93 ALA -0.66 -0.25 1 94 GLU 0.07 0.42 1 97 THR 1.00 0.22 1 98 ILE -2.76 -0.41 1 100 LEU -3.18 -1.64 1 101 LEU -0.20 -1.63 1 102 SER -1.86 -1.57 1 104 LEU -4.33 -1.67 1 107 ALA 1.90 1.10 1 108 ALA -2.24 -1.45 1 109 TYR 1.64 -0.91 1 112 GLU 4.45 3.07 1 113 LEU 1.02 -0.07 1 120 ASP -0.99 -0.46 1 122 ARG 0.86 0.51 1 125 ASP -1.02 -1.54 1 128 PHE 6.56 1.41 1 129 ARG 5.80 4.28 1 130 GLN 3.51 3.63 1 131 VAL 7.15 5.27 1 132 LYS 5.90 4.82 1 133 GLU 3.41 2.78 1 134 ALA 3.86 2.79 1 135 VAL 5.10 3.74 1 136 MET 5.23 2.62 1 137 ARG 4.92 3.69 1 138 TYR 4.97 4.17 1 139 LEU 3.91 2.49 1 140 GLN 3.13 2.00 1 141 THR 0.85 0.83 1 142 LEU 0.41 -0.57 1 143 SER 0.64 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.78 _LACS_plot.Line_1_terminator_val_y_1 4.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 HIS -7.20 5.88 0 63 HIS 1.84 3.43 0 10 VAL -5.07 3.14 1 12 VAL -0.31 0.05 1 15 SER -1.15 1.16 1 16 GLU 4.25 -0.40 1 17 GLU 0.57 0.82 1 18 ASP -2.81 1.99 1 19 LEU 4.17 -0.15 1 20 VAL 6.85 -2.01 1 21 ALA 3.28 -0.78 1 22 ALA 3.26 -0.53 1 23 GLN 4.36 -1.34 1 24 ASP 4.71 -1.51 1 25 LEU 5.48 -2.81 1 26 VAL 7.86 -1.75 1 27 SER 4.62 -1.10 1 28 TYR 2.88 0.11 1 29 LEU 4.55 -1.70 1 30 GLU 1.76 0.29 1 33 THR 3.12 -0.90 1 34 ALA 0.42 -0.24 1 35 SER 1.90 -1.60 1 36 LEU -1.46 0.78 1 37 ARG -0.64 -0.91 1 38 ALA -7.78 5.32 1 39 PHE -3.73 1.54 1 40 LEU 0.03 -1.89 1 42 LEU -0.92 0.21 1 43 ARG 1.20 -1.41 1 44 ASP -0.84 0.39 1 45 ALA -0.58 0.34 1 46 THR -1.37 -0.37 1 50 ALA -0.37 0.17 1 51 ILE 0.57 -0.55 1 52 VAL 0.32 -0.23 1 58 ALA 2.15 -0.15 1 61 SER -0.74 0.74 1 62 SER -5.12 2.59 1 65 ARG -3.80 2.19 1 66 VAL -4.07 1.63 1 67 LEU -2.11 -0.03 1 68 LEU 0.39 -1.52 1 69 ILE 5.53 -3.30 1 70 THR -1.32 -0.27 1 73 PHE 2.77 0.75 1 74 LEU 2.41 -1.03 1 75 GLN -0.76 0.26 1 76 ASP -3.77 2.32 1 78 TRP 5.44 -0.74 1 80 LYS 5.70 -1.53 1 81 TYR 4.78 -1.23 1 82 GLN 3.66 -1.70 1 83 MET 3.31 0.51 1 84 LEU 4.23 -1.41 1 85 GLN 3.51 -0.80 1 86 ALA 1.96 -0.47 1 87 LEU 1.63 -0.95 1 88 THR 0.70 0.07 1 89 GLU -0.15 0.33 1 90 ALA -0.44 -1.00 1 93 ALA -0.66 0.41 1 94 GLU 0.07 0.35 1 97 THR 1.00 -0.78 1 98 ILE -2.76 2.35 1 100 LEU -3.18 1.54 1 101 LEU -0.20 -1.43 1 102 SER -1.86 0.29 1 104 LEU -4.33 2.66 1 107 ALA 1.90 -0.80 1 108 ALA -2.24 0.79 1 109 TYR 1.64 -2.55 1 112 GLU 4.45 -1.38 1 113 LEU 1.02 -1.09 1 120 ASP -0.99 0.53 1 122 ARG 0.86 -0.35 1 125 ASP -1.02 -0.52 1 128 PHE 6.56 -5.15 1 129 ARG 5.80 -1.52 1 130 GLN 3.51 0.12 1 131 VAL 7.15 -1.88 1 132 LYS 5.90 -1.08 1 133 GLU 3.41 -0.63 1 134 ALA 3.86 -1.07 1 135 VAL 5.10 -1.36 1 136 MET 5.23 -2.61 1 137 ARG 4.92 -1.23 1 138 TYR 4.97 -0.80 1 139 LEU 3.91 -1.42 1 140 GLN 3.13 -1.13 1 141 THR 0.85 -0.02 1 142 LEU 0.41 -0.98 1 143 SER 0.64 1.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.78 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 ALA -7.78 1.91 0 10 VAL -5.07 0.67 1 12 VAL -0.31 0.42 1 14 HIS -7.20 0.78 1 16 GLU 4.25 -0.32 1 17 GLU 0.57 -0.12 1 18 ASP -2.81 0.53 1 19 LEU 4.17 -0.86 1 20 VAL 6.85 -0.56 1 21 ALA 3.28 -0.11 1 22 ALA 3.26 -0.08 1 23 GLN 4.36 -0.57 1 24 ASP 4.71 -0.22 1 25 LEU 5.48 -1.04 1 26 VAL 7.86 -0.98 1 27 SER 4.62 -0.22 1 28 TYR 2.88 -0.44 1 29 LEU 4.55 -0.63 1 30 GLU 1.76 0.23 1 33 THR 3.12 -0.24 1 34 ALA 0.42 -0.03 1 35 SER 1.90 -0.40 1 36 LEU -1.46 -0.22 1 37 ARG -0.64 0.56 1 39 PHE -3.73 0.15 1 42 LEU -0.92 -0.09 1 43 ARG 1.20 -0.89 1 44 ASP -0.84 -0.22 1 45 ALA -0.58 -0.03 1 46 THR -1.37 0.11 1 50 ALA -0.37 -0.09 1 51 ILE 0.57 -0.11 1 52 VAL 0.32 -0.05 1 58 ALA 2.15 -0.15 1 61 SER -0.74 0.11 1 62 SER -5.12 0.87 1 63 HIS 1.84 -0.22 1 65 ARG -3.80 0.83 1 66 VAL -4.07 0.74 1 67 LEU -2.11 0.34 1 68 LEU 0.39 0.18 1 69 ILE 5.53 -1.15 1 73 PHE 2.77 -0.38 1 74 LEU 2.41 -0.33 1 75 GLN -0.76 -0.02 1 76 ASP -3.77 0.18 1 78 TRP 5.44 -0.42 1 80 LYS 5.70 -0.75 1 81 TYR 4.78 -0.52 1 82 GLN 3.66 -0.97 1 83 MET 3.31 -0.79 1 84 LEU 4.23 -0.50 1 85 GLN 3.51 -0.63 1 86 ALA 1.96 -0.28 1 87 LEU 1.63 -0.10 1 88 THR 0.70 -0.09 1 89 GLU -0.15 -0.20 1 90 ALA -0.44 0.18 1 93 ALA -0.66 0.00 1 94 GLU 0.07 -0.06 1 97 THR 1.00 0.57 1 98 ILE -2.76 0.00 1 100 LEU -3.18 0.57 1 101 LEU -0.20 0.38 1 104 LEU -4.33 0.19 1 107 ALA 1.90 -0.34 1 108 ALA -2.24 -0.02 1 109 TYR 1.64 -0.59 1 112 GLU 4.45 -0.47 1 113 LEU 1.02 -0.24 1 120 ASP -0.99 0.01 1 125 ASP -1.02 0.38 1 129 ARG 5.80 -0.07 1 130 GLN 3.51 -0.30 1 131 VAL 7.15 -0.59 1 132 LYS 5.90 -0.82 1 133 GLU 3.41 -0.46 1 134 ALA 3.86 -0.31 1 135 VAL 5.10 -0.37 1 136 MET 5.23 -0.43 1 137 ARG 4.92 -0.42 1 138 TYR 4.97 -0.44 1 139 LEU 3.91 -0.85 1 140 GLN 3.13 -0.36 1 141 THR 0.85 -0.17 1 142 LEU 0.41 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.78 _LACS_plot.Line_1_terminator_val_y_1 -3.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 3.12 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 ILE 5.53 -4.27 0 10 VAL -5.07 -4.13 1 12 VAL -0.31 -2.82 1 14 HIS -7.20 -0.98 1 16 GLU 4.25 2.08 1 17 GLU 0.57 0.35 1 18 ASP -2.81 -2.03 1 19 LEU 4.17 -0.71 1 20 VAL 6.85 1.44 1 21 ALA 3.28 1.82 1 22 ALA 3.26 1.46 1 23 GLN 4.36 3.42 1 24 ASP 4.71 2.90 1 25 LEU 5.48 0.52 1 26 VAL 7.86 1.16 1 27 SER 4.62 2.80 1 28 TYR 2.88 2.55 1 29 LEU 4.55 1.52 1 30 GLU 1.76 1.75 1 34 ALA 0.42 -1.19 1 35 SER 1.90 -0.11 1 36 LEU -1.46 -1.94 1 37 ARG -0.64 0.23 1 38 ALA -7.78 -3.42 1 39 PHE -3.73 -3.44 1 40 LEU 0.03 -2.15 1 42 LEU -0.92 -0.82 1 43 ARG 1.20 -0.59 1 45 ALA -0.58 -0.22 1 46 THR -1.37 -1.47 1 50 ALA -0.37 -0.31 1 51 ILE 0.57 -0.01 1 52 VAL 0.32 -0.31 1 61 SER -0.74 -1.93 1 62 SER -5.12 0.17 1 63 HIS 1.84 1.54 1 65 ARG -3.80 -1.56 1 66 VAL -4.07 -1.29 1 67 LEU -2.11 -4.38 1 68 LEU 0.39 -4.75 1 70 THR -1.32 1.38 1 73 PHE 2.77 1.01 1 74 LEU 2.41 0.10 1 75 GLN -0.76 -1.15 1 76 ASP -3.77 -0.66 1 78 TRP 5.44 2.37 1 80 LYS 5.70 1.60 1 81 TYR 4.78 1.75 1 82 GLN 3.66 3.00 1 83 MET 3.31 0.10 1 84 LEU 4.23 2.68 1 85 GLN 3.51 1.78 1 86 ALA 1.96 1.46 1 87 LEU 1.63 0.01 1 88 THR 0.70 -0.31 1 89 GLU -0.15 -0.65 1 90 ALA -0.44 -2.67 1 93 ALA -0.66 -0.35 1 94 GLU 0.07 0.12 1 97 THR 1.00 -1.19 1 98 ILE -2.76 -2.16 1 100 LEU -3.18 -4.01 1 101 LEU -0.20 -1.52 1 102 SER -1.86 -0.69 1 104 LEU -4.33 -0.93 1 107 ALA 1.90 -0.10 1 108 ALA -2.24 -0.89 1 109 TYR 1.64 -0.24 1 112 GLU 4.45 0.63 1 120 ASP -0.99 0.16 1 122 ARG 0.86 0.66 1 125 ASP -1.02 1.72 1 128 PHE 6.56 1.52 1 130 GLN 3.51 4.00 1 131 VAL 7.15 0.24 1 132 LYS 5.90 1.47 1 133 GLU 3.41 2.35 1 134 ALA 3.86 2.92 1 135 VAL 5.10 1.81 1 136 MET 5.23 2.82 1 137 ARG 4.92 2.70 1 138 TYR 4.97 3.42 1 139 LEU 3.91 2.11 1 140 GLN 3.13 1.09 1 141 THR 0.85 -0.02 1 142 LEU 0.41 -1.04 1 143 SER 0.64 4.24 1 stop_ save_