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 bmr17735_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -2.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.49 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 4.64 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 ILE -0.49 -3.07 0 10 LYS 3.57 2.68 1 11 ARG 4.27 3.83 1 12 LEU 3.10 2.69 1 13 SER 5.22 4.16 1 14 ASP 4.63 3.12 1 15 ARG 4.51 2.15 1 16 LEU 3.91 3.18 1 17 ASP 3.91 3.46 1 18 ALA 3.92 2.60 1 19 ILE 5.42 4.64 1 20 ARG 5.34 4.06 1 21 HIS 3.79 4.18 1 22 GLN 3.65 3.23 1 23 GLN 3.74 3.90 1 24 ALA 2.65 1.91 1 25 ASP -0.08 0.25 1 26 LEU -0.88 -0.09 1 27 SER -0.53 -0.76 1 28 LEU 2.58 1.64 1 29 VAL 2.39 1.95 1 30 GLU 0.18 0.69 1 31 ALA -0.93 -1.07 1 32 ALA 3.30 2.96 1 33 ASP 4.00 2.47 1 34 LYS 3.09 1.85 1 35 TYR 5.39 4.93 1 36 ALA 3.48 2.65 1 37 GLU 3.05 2.91 1 38 LEU 3.52 2.68 1 39 GLU 2.65 2.47 1 40 LYS 3.64 3.10 1 41 GLU 3.32 2.97 1 42 LYS 4.40 3.79 1 43 ALA 3.71 2.65 1 44 THR 5.27 4.37 1 45 LEU 3.34 3.28 1 46 GLU 3.85 3.71 1 47 ALA 3.75 2.67 1 48 GLU 2.47 2.01 1 49 ILE 5.76 5.35 1 50 ALA 4.44 2.85 1 51 ARG 3.69 3.25 1 52 LEU 2.55 2.44 1 53 ARG 4.88 3.88 1 54 GLU 2.74 2.33 1 55 VAL 4.18 3.28 1 56 HIS 1.57 3.26 1 57 SER 1.95 1.76 1 58 GLN 2.22 1.64 1 59 LYS 1.19 0.82 1 60 LEU -1.11 -0.38 1 62 LYS 4.40 3.26 1 63 GLU 3.80 3.18 1 64 ALA 3.08 2.85 1 65 GLN 3.75 3.64 1 66 LYS 4.22 3.19 1 67 LEU 4.93 2.49 1 68 MET 2.95 2.37 1 69 LYS 0.21 -0.18 1 70 MET 2.98 1.75 1 72 PHE -1.21 -0.09 1 73 GLN -4.79 -2.63 1 74 ARG -1.39 -0.39 1 75 ALA 0.45 -0.59 1 77 THR -0.54 0.36 1 78 LYS 5.10 3.77 1 79 LYS 3.59 3.40 1 80 GLU 1.43 1.75 1 81 GLN 3.37 2.93 1 82 ALA 1.66 0.97 1 83 ASP -0.46 -1.04 1 84 MET 2.51 1.43 1 86 LYS 3.62 3.15 1 87 LEU 3.55 2.84 1 88 LYS 4.36 3.33 1 89 LYS 1.80 1.74 1 90 SER 1.25 1.85 1 91 VAL 0.04 -1.26 1 92 ARG 2.46 1.55 1 94 LEU 0.59 0.76 1 95 VAL -1.77 -0.03 1 96 VAL -1.68 -1.24 1 97 VAL -2.83 -0.84 1 98 HIS -2.20 1.47 1 100 MET 0.94 -0.97 1 101 THR -4.58 -1.45 1 102 ALA 5.13 4.05 1 103 LEU 2.32 2.16 1 105 ARG 3.80 3.05 1 106 GLU 3.02 2.58 1 107 MET -0.24 1.38 1 109 LEU 0.13 0.09 1 110 GLU -2.55 -0.84 1 111 GLU -6.46 -2.95 1 112 MET 2.10 2.49 1 113 THR -2.04 0.77 1 115 PHE -4.65 -0.66 1 116 SER -4.45 -1.84 1 117 LYS 1.29 1.55 1 118 THR -3.72 -2.13 1 119 THR 2.64 1.44 1 120 PHE -1.53 0.24 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17735_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 4.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.51 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 -1.12 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 ILE -0.49 -2.58 0 10 LYS 3.57 -0.89 1 11 ARG 4.27 -0.44 1 12 LEU 3.10 -0.41 1 13 SER 5.22 -1.06 1 14 ASP 4.63 -1.51 1 15 ARG 4.51 -2.36 1 16 LEU 3.91 -0.73 1 17 ASP 3.91 -0.45 1 18 ALA 3.92 -1.32 1 19 ILE 5.42 -0.78 1 20 ARG 5.34 -1.28 1 21 HIS 3.79 0.39 1 22 GLN 3.65 -0.42 1 23 GLN 3.74 0.16 1 24 ALA 2.65 -0.74 1 25 ASP -0.08 0.33 1 26 LEU -0.88 0.79 1 27 SER -0.53 -0.23 1 28 LEU 2.58 -0.94 1 29 VAL 2.39 -0.44 1 30 GLU 0.18 0.51 1 31 ALA -0.93 -0.14 1 32 ALA 3.30 -0.34 1 33 ASP 4.00 -1.53 1 34 LYS 3.09 -1.24 1 35 TYR 5.39 -0.46 1 36 ALA 3.48 -0.83 1 37 GLU 3.05 -0.14 1 38 LEU 3.52 -0.84 1 39 GLU 2.65 -0.18 1 40 LYS 3.64 -0.54 1 41 GLU 3.32 -0.35 1 42 LYS 4.40 -0.61 1 43 ALA 3.71 -1.06 1 44 THR 5.27 -0.90 1 45 LEU 3.34 -0.06 1 46 GLU 3.85 -0.14 1 47 ALA 3.75 -1.08 1 48 GLU 2.47 -0.46 1 49 ILE 5.76 -0.41 1 50 ALA 4.44 -1.59 1 51 ARG 3.69 -0.44 1 52 LEU 2.55 -0.11 1 53 ARG 4.88 -1.00 1 54 GLU 2.74 -0.41 1 55 VAL 4.18 -0.90 1 56 HIS 1.57 1.69 1 57 SER 1.95 -0.19 1 58 GLN 2.22 -0.58 1 59 LYS 1.19 -0.37 1 60 LEU -1.11 0.73 1 62 LYS 4.40 -1.14 1 63 GLU 3.80 -0.62 1 64 ALA 3.08 -0.23 1 65 GLN 3.75 -0.11 1 66 LYS 4.22 -1.03 1 67 LEU 4.93 -2.44 1 68 MET 2.95 -0.58 1 69 LYS 0.21 -0.39 1 70 MET 2.98 -1.23 1 72 PHE -1.21 1.12 1 73 GLN -4.79 2.16 1 74 ARG -1.39 1.00 1 75 ALA 0.45 -1.04 1 77 THR -0.54 0.90 1 78 LYS 5.10 -1.33 1 79 LYS 3.59 -0.19 1 80 GLU 1.43 0.32 1 81 GLN 3.37 -0.44 1 82 ALA 1.66 -0.69 1 83 ASP -0.46 -0.58 1 84 MET 2.51 -1.08 1 86 LYS 3.62 -0.47 1 87 LEU 3.55 -0.71 1 88 LYS 4.36 -1.03 1 89 LYS 1.80 -0.06 1 90 SER 1.25 0.60 1 91 VAL 0.04 -1.30 1 92 ARG 2.46 -0.91 1 94 LEU 0.59 0.17 1 95 VAL -1.77 1.74 1 96 VAL -1.68 0.44 1 97 VAL -2.83 1.99 1 98 HIS -2.20 3.67 1 100 MET 0.94 -1.91 1 101 THR -4.58 3.13 1 102 ALA 5.13 -1.08 1 103 LEU 2.32 -0.16 1 105 ARG 3.80 -0.75 1 106 GLU 3.02 -0.44 1 107 MET -0.24 1.62 1 109 LEU 0.13 -0.04 1 110 GLU -2.55 1.71 1 111 GLU -6.46 3.51 1 112 MET 2.10 0.39 1 113 THR -2.04 2.81 1 115 PHE -4.65 3.99 1 116 SER -4.45 2.61 1 117 LYS 1.29 0.26 1 118 THR -3.72 1.59 1 119 THR 2.64 -1.20 1 120 PHE -1.53 1.77 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17735_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 0.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 -0.51 _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 119 THR 2.64 -1.87 0 10 LYS 3.57 -0.30 1 11 ARG 4.27 -0.29 1 12 LEU 3.10 -0.32 1 13 SER 5.22 -0.45 1 14 ASP 4.63 -0.25 1 15 ARG 4.51 -0.10 1 16 LEU 3.91 -0.44 1 17 ASP 3.91 -0.32 1 18 ALA 3.92 -0.12 1 19 ILE 5.42 -0.60 1 20 ARG 5.34 -0.33 1 21 HIS 3.79 -0.41 1 22 GLN 3.65 -0.29 1 23 GLN 3.74 -0.60 1 24 ALA 2.65 -0.14 1 25 ASP -0.08 0.05 1 26 LEU -0.88 0.00 1 27 SER -0.53 -0.01 1 28 LEU 2.58 -0.45 1 29 VAL 2.39 -0.21 1 30 GLU 0.18 -0.10 1 31 ALA -0.93 0.43 1 32 ALA 3.30 -0.30 1 33 ASP 4.00 -0.21 1 34 LYS 3.09 -0.18 1 35 TYR 5.39 -0.83 1 36 ALA 3.48 -0.14 1 37 GLU 3.05 -0.33 1 38 LEU 3.52 -0.22 1 39 GLU 2.65 -0.50 1 40 LYS 3.64 -0.24 1 41 GLU 3.32 -0.36 1 42 LYS 4.40 -0.63 1 43 ALA 3.71 -0.15 1 44 THR 5.27 -0.39 1 45 LEU 3.34 -0.26 1 46 GLU 3.85 -0.49 1 47 ALA 3.75 -0.11 1 48 GLU 2.47 0.07 1 49 ILE 5.76 -0.67 1 50 ALA 4.44 -0.30 1 51 ARG 3.69 -0.32 1 52 LEU 2.55 -0.40 1 53 ARG 4.88 -0.42 1 54 GLU 2.74 -0.28 1 55 VAL 4.18 -0.43 1 56 HIS 1.57 -0.28 1 57 SER 1.95 -0.30 1 58 GLN 2.22 -0.25 1 59 LYS 1.19 -0.10 1 60 LEU -1.11 0.00 1 62 LYS 4.40 -0.49 1 63 GLU 3.80 -0.44 1 64 ALA 3.08 -0.44 1 65 GLN 3.75 -0.61 1 66 LYS 4.22 -0.50 1 67 LEU 4.93 -0.56 1 68 MET 2.95 -0.36 1 69 LYS 0.21 -0.08 1 70 MET 2.98 -0.23 1 72 PHE -1.21 0.13 1 73 GLN -4.79 1.03 1 74 ARG -1.39 0.12 1 75 ALA 0.45 0.28 1 76 ILE -0.49 0.06 1 77 THR -0.54 -0.07 1 78 LYS 5.10 -0.54 1 79 LYS 3.59 -0.33 1 80 GLU 1.43 -0.45 1 81 GLN 3.37 -0.53 1 82 ALA 1.66 -0.09 1 83 ASP -0.46 0.15 1 84 MET 2.51 -0.11 1 86 LYS 3.62 -0.38 1 87 LEU 3.55 -0.23 1 88 LYS 4.36 -0.51 1 89 LYS 1.80 -0.23 1 90 SER 1.25 -0.13 1 91 VAL 0.04 0.00 1 92 ARG 2.46 -0.23 1 94 LEU 0.59 -0.20 1 95 VAL -1.77 0.15 1 96 VAL -1.68 0.77 1 97 VAL -2.83 0.24 1 98 HIS -2.20 -0.43 1 100 MET 0.94 0.16 1 101 THR -4.58 0.13 1 102 ALA 5.13 -0.30 1 103 LEU 2.32 -0.14 1 105 ARG 3.80 -0.07 1 106 GLU 3.02 -0.35 1 107 MET -0.24 -0.37 1 109 LEU 0.13 -0.17 1 110 GLU -2.55 0.00 1 111 GLU -6.46 0.18 1 112 MET 2.10 -0.11 1 113 THR -2.04 0.36 1 115 PHE -4.65 0.55 1 116 SER -4.45 0.41 1 117 LYS 1.29 0.06 1 118 THR -3.72 0.14 1 120 PHE -1.53 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17735_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.46 _LACS_plot.Line_1_terminator_val_y_1 -2.90 _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 -0.91 _LACS_plot.Line_2_terminator_val_x_2 5.76 _LACS_plot.Line_2_terminator_val_y_2 3.00 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 THR 2.64 -2.71 0 111 GLU -6.46 -1.20 0 10 LYS 3.57 0.90 1 11 ARG 4.27 3.93 1 12 LEU 3.10 1.18 1 13 SER 5.22 2.29 1 14 ASP 4.63 3.23 1 15 ARG 4.51 1.64 1 16 LEU 3.91 1.22 1 17 ASP 3.91 2.11 1 18 ALA 3.92 3.34 1 19 ILE 5.42 1.36 1 20 ARG 5.34 3.63 1 21 HIS 3.79 3.62 1 22 GLN 3.65 3.36 1 23 GLN 3.74 1.49 1 24 ALA 2.65 0.54 1 25 ASP -0.08 0.29 1 26 LEU -0.88 -0.57 1 27 SER -0.53 0.97 1 28 LEU 2.58 0.12 1 29 VAL 2.39 0.95 1 30 GLU 0.18 0.20 1 31 ALA -0.93 -1.05 1 32 ALA 3.30 2.39 1 33 ASP 4.00 2.20 1 34 LYS 3.09 1.84 1 35 TYR 5.39 1.96 1 36 ALA 3.48 2.86 1 37 GLU 3.05 3.46 1 38 LEU 3.52 0.74 1 39 GLU 2.65 2.50 1 40 LYS 3.64 2.56 1 41 GLU 3.32 1.87 1 42 LYS 4.40 0.77 1 43 ALA 3.71 3.70 1 44 THR 5.27 2.26 1 45 LEU 3.34 1.45 1 46 GLU 3.85 3.48 1 47 ALA 3.75 2.35 1 48 GLU 2.47 2.06 1 49 ILE 5.76 0.93 1 50 ALA 4.44 2.72 1 51 ARG 3.69 2.80 1 52 LEU 2.55 2.02 1 53 ARG 4.88 2.45 1 54 GLU 2.74 2.06 1 55 VAL 4.18 2.13 1 56 HIS 1.57 2.82 1 57 SER 1.95 0.90 1 58 GLN 2.22 0.72 1 59 LYS 1.19 0.39 1 62 LYS 4.40 2.91 1 63 GLU 3.80 1.55 1 64 ALA 3.08 1.58 1 65 GLN 3.75 2.43 1 66 LYS 4.22 2.94 1 67 LEU 4.93 1.48 1 68 MET 2.95 0.82 1 69 LYS 0.21 0.82 1 72 PHE -1.21 -2.87 1 73 GLN -4.79 -1.07 1 74 ARG -1.39 -2.11 1 75 ALA 0.45 0.01 1 76 ILE -0.49 1.36 1 77 THR -0.54 0.96 1 78 LYS 5.10 2.93 1 79 LYS 3.59 3.18 1 80 GLU 1.43 2.19 1 81 GLN 3.37 1.28 1 82 ALA 1.66 -0.34 1 83 ASP -0.46 -0.23 1 84 MET 2.51 2.38 1 86 LYS 3.62 2.61 1 87 LEU 3.55 1.13 1 88 LYS 4.36 1.66 1 89 LYS 1.80 1.07 1 90 SER 1.25 -0.60 1 91 VAL 0.04 -1.86 1 94 LEU 0.59 -1.37 1 95 VAL -1.77 -1.54 1 96 VAL -1.68 -0.87 1 97 VAL -2.83 -2.35 1 100 MET 0.94 1.07 1 102 ALA 5.13 3.09 1 103 LEU 2.32 0.44 1 105 ARG 3.80 4.51 1 106 GLU 3.02 1.60 1 107 MET -0.24 -0.63 1 109 LEU 0.13 -0.11 1 110 GLU -2.55 -1.03 1 112 MET 2.10 -0.80 1 113 THR -2.04 -3.32 1 115 PHE -4.65 -0.70 1 116 SER -4.45 -0.78 1 117 LYS 1.29 -0.42 1 118 THR -3.72 -1.37 1 stop_ save_