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 bmr4955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 -3.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _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 6.83 _LACS_plot.Line_2_terminator_val_y_2 5.09 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 MET 2.25 4.92 0 37 GLU -7.75 -2.03 0 11 SER 6.08 5.50 1 12 ALA -1.08 -0.25 1 14 MET -0.15 1.38 1 15 SER 5.61 3.94 1 16 THR 1.28 0.50 1 17 SER 5.40 4.16 1 18 LEU 4.14 2.75 1 19 LEU 4.63 2.92 1 20 VAL 6.84 5.21 1 21 SER 5.24 4.20 1 22 LYS 3.67 2.83 1 24 ARG 4.37 4.12 1 25 ALA 3.65 2.68 1 26 GLN 3.76 2.03 1 27 ALA 4.22 2.80 1 28 GLU 2.67 2.36 1 29 LYS 3.46 2.96 1 30 TYR 1.25 0.58 1 31 GLU 3.35 0.56 1 32 VAL -0.12 0.05 1 34 VAL -7.30 -3.84 1 35 ILE -2.73 -1.27 1 36 ILE -3.31 -1.51 1 38 ALA -7.34 -3.06 1 39 PHE -3.76 -0.19 1 41 GLU 4.69 3.00 1 42 THR 3.26 1.91 1 43 LEU -0.64 -0.76 1 44 ALA 6.52 4.00 1 46 GLU 0.28 1.55 1 47 LYS 0.91 -0.43 1 49 GLN 3.33 2.35 1 50 ASN -1.87 -0.85 1 51 ALA -2.63 -0.98 1 52 ASP 0.04 2.12 1 53 VAL -2.05 -1.02 1 54 VAL -1.31 -0.89 1 55 LEU -4.99 -3.03 1 56 LEU -2.65 -2.57 1 59 GLN 3.66 2.00 1 60 ILE 0.68 -0.70 1 61 ALA 3.35 3.29 1 62 TYR 2.80 0.50 1 63 MET 0.74 0.15 1 64 LEU 2.49 2.04 1 66 GLU 5.69 2.97 1 67 ILE 3.74 3.19 1 68 GLN 3.36 2.73 1 69 ARG 0.50 1.64 1 70 LEU -2.53 -2.05 1 71 LEU 0.88 0.02 1 73 ASN -3.12 -2.60 1 74 LYS -2.66 -1.75 1 76 VAL -6.95 -2.62 1 77 GLU -0.40 -0.85 1 78 VAL 1.07 1.64 1 79 ILE -1.15 1.48 1 80 ASP 4.27 2.93 1 82 LEU 3.41 2.93 1 83 LEU 4.13 4.84 1 84 TYR 0.14 -0.35 1 86 LYS 4.38 0.35 1 87 VAL -0.44 -1.80 1 88 ASP 4.23 2.76 1 90 LEU 5.93 4.72 1 92 VAL 3.88 3.72 1 93 LEU 4.91 4.23 1 94 LYS 3.83 2.43 1 95 ALA 2.54 2.67 1 96 ALA 5.60 4.35 1 97 VAL 3.84 2.51 1 98 ALA 3.06 2.30 1 99 ALA 4.82 4.35 1 100 ILE 3.46 2.85 1 101 LYS 2.92 2.43 1 102 LYS 1.08 0.72 1 103 ALA 0.28 0.29 1 104 ALA -0.01 0.09 1 105 ALA 0.06 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 4.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _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 6.83 _LACS_plot.Line_2_terminator_val_y_2 -1.74 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 MET 2.25 2.67 0 37 GLU -7.75 5.72 0 11 SER 6.08 -0.58 1 12 ALA -1.08 0.83 1 14 MET -0.15 1.53 1 15 SER 5.61 -1.67 1 16 THR 1.28 -0.78 1 17 SER 5.40 -1.24 1 18 LEU 4.14 -1.39 1 19 LEU 4.63 -1.71 1 20 VAL 6.84 -1.63 1 21 SER 5.24 -1.04 1 22 LYS 3.67 -0.84 1 24 ARG 4.37 -0.25 1 25 ALA 3.65 -0.97 1 26 GLN 3.76 -1.73 1 27 ALA 4.22 -1.42 1 28 GLU 2.67 -0.31 1 29 LYS 3.46 -0.50 1 30 TYR 1.25 -0.67 1 31 GLU 3.35 -2.79 1 32 VAL -0.12 0.17 1 34 VAL -7.30 3.46 1 35 ILE -2.73 1.46 1 36 ILE -3.31 1.80 1 38 ALA -7.34 4.28 1 39 PHE -3.76 3.57 1 41 GLU 4.69 -1.69 1 42 THR 3.26 -1.35 1 43 LEU -0.64 -0.12 1 44 ALA 6.52 -2.52 1 46 GLU 0.28 1.27 1 47 LYS 0.91 -1.34 1 49 GLN 3.33 -0.98 1 50 ASN -1.87 1.02 1 51 ALA -2.63 1.65 1 52 ASP 0.04 2.08 1 53 VAL -2.05 1.03 1 54 VAL -1.31 0.42 1 55 LEU -4.99 1.96 1 56 LEU -2.65 0.08 1 59 GLN 3.66 -1.66 1 60 ILE 0.68 -1.38 1 61 ALA 3.35 -0.06 1 62 TYR 2.80 -2.30 1 63 MET 0.74 -0.59 1 64 LEU 2.49 -0.45 1 66 GLU 5.69 -2.72 1 67 ILE 3.74 -0.55 1 68 GLN 3.36 -0.63 1 69 ARG 0.50 1.14 1 70 LEU -2.53 0.48 1 71 LEU 0.88 -0.86 1 73 ASN -3.12 0.52 1 74 LYS -2.66 0.91 1 76 VAL -6.95 4.33 1 77 GLU -0.40 -0.45 1 78 VAL 1.07 0.57 1 79 ILE -1.15 2.63 1 80 ASP 4.27 -1.34 1 82 LEU 3.41 -0.48 1 83 LEU 4.13 0.71 1 84 TYR 0.14 -0.49 1 86 LYS 4.38 -4.03 1 87 VAL -0.44 -1.36 1 88 ASP 4.23 -1.47 1 90 LEU 5.93 -1.21 1 92 VAL 3.88 -0.16 1 93 LEU 4.91 -0.68 1 94 LYS 3.83 -1.40 1 95 ALA 2.54 0.13 1 96 ALA 5.60 -1.25 1 97 VAL 3.84 -1.33 1 98 ALA 3.06 -0.76 1 99 ALA 4.82 -0.47 1 100 ILE 3.46 -0.61 1 101 LYS 2.92 -0.49 1 102 LYS 1.08 -0.36 1 103 ALA 0.28 0.01 1 104 ALA -0.01 0.10 1 105 ALA 0.06 1.65 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 ILE -3.31 1.35 0 37 GLU -7.75 0.11 0 51 ALA -2.63 -0.77 0 11 SER 6.08 0.00 1 12 ALA -1.08 0.38 1 14 MET -0.15 0.18 1 15 SER 5.61 -0.15 1 16 THR 1.28 -0.32 1 17 SER 5.40 -0.50 1 18 LEU 4.14 -0.13 1 19 LEU 4.63 -0.55 1 20 VAL 6.84 -0.66 1 21 SER 5.24 -0.36 1 22 LYS 3.67 -0.03 1 23 MET 2.25 -0.79 1 24 ARG 4.37 -0.44 1 25 ALA 3.65 -0.05 1 26 GLN 3.76 -0.09 1 27 ALA 4.22 -0.37 1 28 GLU 2.67 -0.22 1 29 LYS 3.46 -0.41 1 30 TYR 1.25 0.01 1 31 GLU 3.35 -0.45 1 32 VAL -0.12 -0.04 1 34 VAL -7.30 1.32 1 35 ILE -2.73 0.14 1 38 ALA -7.34 0.91 1 39 PHE -3.76 0.12 1 41 GLU 4.69 -0.36 1 42 THR 3.26 -0.27 1 43 LEU -0.64 0.34 1 44 ALA 6.52 -0.98 1 46 GLU 0.28 -0.10 1 47 LYS 0.91 -0.08 1 49 GLN 3.33 -0.32 1 50 ASN -1.87 0.10 1 52 ASP 0.04 0.25 1 53 VAL -2.05 0.33 1 54 VAL -1.31 0.73 1 55 LEU -4.99 1.26 1 56 LEU -2.65 0.66 1 59 GLN 3.66 0.03 1 60 ILE 0.68 0.54 1 61 ALA 3.35 -0.57 1 62 TYR 2.80 -0.18 1 63 MET 0.74 -0.15 1 64 LEU 2.49 -0.19 1 66 GLU 5.69 -0.57 1 67 ILE 3.74 -0.35 1 68 GLN 3.36 -0.36 1 69 ARG 0.50 -0.26 1 70 LEU -2.53 0.08 1 71 LEU 0.88 -0.04 1 73 ASN -3.12 0.28 1 74 LYS -2.66 0.98 1 76 VAL -6.95 0.38 1 77 GLU -0.40 0.23 1 78 VAL 1.07 -0.43 1 79 ILE -1.15 -0.28 1 80 ASP 4.27 -0.01 1 82 LEU 3.41 -0.32 1 83 LEU 4.13 -0.79 1 84 TYR 0.14 -0.02 1 86 LYS 4.38 -1.16 1 87 VAL -0.44 -0.02 1 88 ASP 4.23 -0.26 1 90 LEU 5.93 -0.41 1 92 VAL 3.88 -0.42 1 93 LEU 4.91 -0.51 1 94 LYS 3.83 -0.13 1 95 ALA 2.54 -0.33 1 96 ALA 5.60 -0.60 1 97 VAL 3.84 -0.19 1 98 ALA 3.06 -0.14 1 99 ALA 4.82 -0.63 1 100 ILE 3.46 -0.25 1 101 LYS 2.92 -0.21 1 102 LYS 1.08 -0.04 1 103 ALA 0.28 0.00 1 104 ALA -0.01 0.02 1 105 ALA 0.06 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.75 _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 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 2.68 _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 105 ALA 0.06 4.34 0 53 VAL -2.05 -5.32 0 11 SER 6.08 1.02 1 12 ALA -1.08 1.01 1 14 MET -0.15 2.36 1 15 SER 5.61 1.43 1 16 THR 1.28 0.86 1 17 SER 5.40 1.80 1 18 LEU 4.14 1.32 1 19 LEU 4.63 1.08 1 20 VAL 6.84 1.64 1 21 SER 5.24 3.26 1 22 LYS 3.67 3.33 1 23 MET 2.25 1.91 1 24 ARG 4.37 2.77 1 25 ALA 3.65 3.69 1 26 GLN 3.76 1.45 1 27 ALA 4.22 1.90 1 28 GLU 2.67 2.90 1 29 LYS 3.46 1.10 1 30 TYR 1.25 -2.28 1 31 GLU 3.35 -1.21 1 32 VAL -0.12 1.39 1 34 VAL -7.30 -1.87 1 35 ILE -2.73 -2.28 1 36 ILE -3.31 -1.28 1 37 GLU -7.75 -3.78 1 38 ALA -7.34 -1.91 1 39 PHE -3.76 -1.81 1 41 GLU 4.69 0.17 1 42 THR 3.26 1.49 1 43 LEU -0.64 -0.22 1 44 ALA 6.52 1.30 1 46 GLU 0.28 1.85 1 47 LYS 0.91 2.86 1 49 GLN 3.33 0.72 1 50 ASN -1.87 -1.20 1 51 ALA -2.63 -1.71 1 52 ASP 0.04 -0.86 1 54 VAL -1.31 -2.88 1 55 LEU -4.99 -1.71 1 56 LEU -2.65 -0.86 1 59 GLN 3.66 1.67 1 60 ILE 0.68 -0.55 1 61 ALA 3.35 2.09 1 62 TYR 2.80 0.24 1 63 MET 0.74 -0.25 1 64 LEU 2.49 2.12 1 66 GLU 5.69 1.30 1 67 ILE 3.74 2.65 1 68 GLN 3.36 1.96 1 69 ARG 0.50 -0.74 1 70 LEU -2.53 -2.42 1 71 LEU 0.88 -0.76 1 73 ASN -3.12 -1.08 1 74 LYS -2.66 -1.12 1 76 VAL -6.95 -1.76 1 77 GLU -0.40 0.49 1 78 VAL 1.07 -1.87 1 79 ILE -1.15 1.17 1 80 ASP 4.27 2.25 1 82 LEU 3.41 1.84 1 83 LEU 4.13 3.99 1 84 TYR 0.14 -1.12 1 86 LYS 4.38 -1.57 1 87 VAL -0.44 -0.78 1 88 ASP 4.23 0.34 1 90 LEU 5.93 1.26 1 92 VAL 3.88 0.40 1 93 LEU 4.91 3.20 1 94 LYS 3.83 2.82 1 95 ALA 2.54 0.97 1 96 ALA 5.60 2.04 1 97 VAL 3.84 2.21 1 98 ALA 3.06 2.51 1 99 ALA 4.82 1.82 1 100 ILE 3.46 2.29 1 101 LYS 2.92 1.28 1 102 LYS 1.08 0.23 1 103 ALA 0.28 -0.42 1 104 ALA -0.01 -1.20 1 stop_ save_