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 bmr5131_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 5.08 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 ILE -1.20 -3.36 0 78 HIS 5.87 6.87 0 13 THR -1.90 -1.05 1 14 PHE -2.38 -1.43 1 15 GLU -6.02 -2.53 1 16 VAL -5.19 -1.31 1 17 GLU -2.65 -1.73 1 18 LEU -5.69 -1.94 1 19 ALA -2.94 -2.58 1 20 LYS 0.20 1.53 1 22 ASP 2.31 1.10 1 25 LEU -0.26 0.66 1 27 ILE -5.35 -1.44 1 28 SER -3.38 -2.04 1 29 VAL -5.34 -2.87 1 33 VAL 2.53 1.61 1 35 THR -1.12 -0.10 1 36 SER 0.29 0.05 1 37 VAL 0.27 -0.10 1 39 HIS 1.61 1.73 1 43 TYR -5.68 -2.05 1 44 VAL 3.52 2.14 1 45 LYS -0.13 0.84 1 46 ALA -4.07 -0.95 1 48 ILE 0.87 0.02 1 50 LYS 5.45 1.77 1 52 ALA 3.20 2.71 1 53 ALA 2.87 2.42 1 54 GLU 3.49 3.31 1 55 SER 3.77 2.77 1 56 ASP 0.03 3.25 1 58 ARG -0.17 1.97 1 59 ILE -0.23 0.43 1 61 LYS 3.01 2.33 1 64 ARG -3.62 -1.14 1 65 VAL 1.92 0.02 1 66 LEU 0.71 0.93 1 67 ALA -3.18 -0.19 1 68 VAL -2.99 -1.69 1 69 ASN 2.93 1.04 1 71 VAL 1.10 -0.01 1 72 SER 0.13 -0.05 1 73 LEU 0.16 -1.22 1 74 GLU 2.68 1.93 1 76 ALA -0.38 0.08 1 79 LYS 3.73 3.46 1 80 GLN 3.49 2.70 1 81 ALA 3.11 3.11 1 82 VAL 6.04 4.83 1 83 GLU 3.63 2.78 1 84 THR 6.87 5.24 1 85 LEU 3.38 2.84 1 86 ARG 2.87 2.71 1 87 ASN 1.27 -0.40 1 88 THR -4.82 -1.97 1 90 GLN 2.94 2.69 1 91 VAL -1.26 -0.95 1 92 VAL -3.29 -1.13 1 93 HIS -1.52 0.73 1 94 LEU -4.37 -1.50 1 96 LEU -4.57 -1.15 1 97 GLU -6.64 -2.50 1 98 LYS 1.10 -0.02 1 100 GLN 0.57 1.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5131_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 4.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 ILE -1.20 -2.16 0 78 HIS 5.87 1.00 0 13 THR -1.90 0.85 1 14 PHE -2.38 0.95 1 15 GLU -6.02 3.49 1 16 VAL -5.19 3.88 1 17 GLU -2.65 0.92 1 18 LEU -5.69 3.75 1 19 ALA -2.94 0.36 1 20 LYS 0.20 1.33 1 22 ASP 2.31 -1.21 1 25 LEU -0.26 0.92 1 27 ILE -5.35 3.91 1 28 SER -3.38 1.34 1 29 VAL -5.34 2.47 1 33 VAL 2.53 -0.92 1 35 THR -1.12 1.02 1 36 SER 0.29 -0.24 1 37 VAL 0.27 -0.37 1 39 HIS 1.61 0.12 1 43 TYR -5.68 3.63 1 44 VAL 3.52 -1.38 1 45 LYS -0.13 0.97 1 46 ALA -4.07 3.12 1 48 ILE 0.87 -0.85 1 50 LYS 5.45 -3.68 1 52 ALA 3.20 -0.49 1 53 ALA 2.87 -0.45 1 54 GLU 3.49 -0.18 1 55 SER 3.77 -1.00 1 56 ASP 0.03 3.22 1 58 ARG -0.17 2.14 1 59 ILE -0.23 0.66 1 61 LYS 3.01 -0.68 1 64 ARG -3.62 2.48 1 65 VAL 1.92 -1.90 1 66 LEU 0.71 0.22 1 67 ALA -3.18 2.99 1 68 VAL -2.99 1.30 1 69 ASN 2.93 -1.89 1 71 VAL 1.10 -1.11 1 72 SER 0.13 -0.18 1 73 LEU 0.16 -1.38 1 74 GLU 2.68 -0.75 1 76 ALA -0.38 0.46 1 79 LYS 3.73 -0.27 1 80 GLN 3.49 -0.79 1 81 ALA 3.11 0.00 1 82 VAL 6.04 -1.21 1 83 GLU 3.63 -0.85 1 84 THR 6.87 -1.63 1 85 LEU 3.38 -0.54 1 86 ARG 2.87 -0.16 1 87 ASN 1.27 -1.67 1 88 THR -4.82 2.85 1 90 GLN 2.94 -0.25 1 91 VAL -1.26 0.31 1 92 VAL -3.29 2.16 1 93 HIS -1.52 2.25 1 94 LEU -4.37 2.87 1 96 LEU -4.57 3.42 1 97 GLU -6.64 4.14 1 98 LYS 1.10 -1.12 1 100 GLN 0.57 1.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5131_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 0.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 THR -1.90 1.32 0 14 PHE -2.38 0.38 1 15 GLU -6.02 0.92 1 16 VAL -5.19 0.06 1 17 GLU -2.65 0.63 1 18 LEU -5.69 0.33 1 19 ALA -2.94 0.80 1 20 LYS 0.20 -0.46 1 22 ASP 2.31 -0.31 1 25 LEU -0.26 -0.05 1 27 ILE -5.35 0.85 1 28 SER -3.38 0.61 1 29 VAL -5.34 1.39 1 33 VAL 2.53 0.04 1 35 THR -1.12 0.38 1 36 SER 0.29 0.09 1 37 VAL 0.27 -0.01 1 39 HIS 1.61 -0.12 1 43 TYR -5.68 0.78 1 44 VAL 3.52 -0.27 1 45 LYS -0.13 -0.03 1 46 ALA -4.07 0.18 1 47 ILE -1.20 0.23 1 48 ILE 0.87 -0.28 1 50 LYS 5.45 -0.45 1 52 ALA 3.20 -0.26 1 53 ALA 2.87 -0.23 1 54 GLU 3.49 -0.54 1 55 SER 3.77 -0.33 1 56 ASP 0.03 -0.22 1 58 ARG -0.17 -0.07 1 59 ILE -0.23 0.07 1 61 LYS 3.01 -0.69 1 64 ARG -3.62 0.29 1 65 VAL 1.92 -0.22 1 66 LEU 0.71 0.02 1 67 ALA -3.18 0.68 1 68 VAL -2.99 0.35 1 69 ASN 2.93 -0.17 1 71 VAL 1.10 -0.14 1 72 SER 0.13 -0.09 1 73 LEU 0.16 0.13 1 74 GLU 2.68 -0.29 1 76 ALA -0.38 0.20 1 78 HIS 5.87 -0.72 1 79 LYS 3.73 -0.46 1 80 GLN 3.49 -0.28 1 81 ALA 3.11 -0.46 1 82 VAL 6.04 -0.72 1 83 GLU 3.63 -0.33 1 84 THR 6.87 -0.43 1 85 LEU 3.38 -0.49 1 86 ARG 2.87 -0.23 1 87 ASN 1.27 0.21 1 88 THR -4.82 0.09 1 90 GLN 2.94 -0.33 1 91 VAL -1.26 0.54 1 92 VAL -3.29 0.34 1 93 HIS -1.52 0.30 1 94 LEU -4.37 0.66 1 96 LEU -4.57 0.97 1 97 GLU -6.64 0.66 1 98 LYS 1.10 0.09 1 100 GLN 0.57 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5131_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.64 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 2.51 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 TYR -5.68 0.22 0 97 GLU -6.64 -0.19 0 14 PHE -2.38 -4.33 0 15 GLU -6.02 -0.49 1 16 VAL -5.19 -2.91 1 17 GLU -2.65 -1.90 1 18 LEU -5.69 -3.60 1 19 ALA -2.94 -0.37 1 20 LYS 0.20 0.61 1 22 ASP 2.31 0.26 1 25 LEU -0.26 -0.42 1 27 ILE -5.35 -2.27 1 28 SER -3.38 0.75 1 29 VAL -5.34 -1.68 1 33 VAL 2.53 -0.53 1 36 SER 0.29 0.33 1 37 VAL 0.27 0.29 1 39 HIS 1.61 1.09 1 44 VAL 3.52 -0.31 1 45 LYS -0.13 -1.80 1 46 ALA -4.07 -3.25 1 47 ILE -1.20 -0.29 1 50 LYS 5.45 -0.16 1 52 ALA 3.20 3.14 1 53 ALA 2.87 3.03 1 54 GLU 3.49 1.48 1 55 SER 3.77 1.04 1 56 ASP 0.03 1.40 1 58 ARG -0.17 -0.51 1 59 ILE -0.23 -2.47 1 61 LYS 3.01 0.46 1 64 ARG -3.62 -0.58 1 65 VAL 1.92 -1.75 1 66 LEU 0.71 0.77 1 67 ALA -3.18 -2.36 1 68 VAL -2.99 -0.85 1 69 ASN 2.93 0.08 1 71 VAL 1.10 -0.53 1 72 SER 0.13 1.86 1 73 LEU 0.16 -1.01 1 74 GLU 2.68 1.26 1 76 ALA -0.38 2.03 1 78 HIS 5.87 0.78 1 79 LYS 3.73 2.49 1 80 GLN 3.49 3.61 1 81 ALA 3.11 0.97 1 82 VAL 6.04 2.94 1 83 GLU 3.63 2.08 1 84 THR 6.87 2.08 1 85 LEU 3.38 1.25 1 86 ARG 2.87 1.92 1 87 ASN 1.27 -0.17 1 88 THR -4.82 0.52 1 90 GLN 2.94 -0.73 1 91 VAL -1.26 -0.38 1 92 VAL -3.29 -2.89 1 93 HIS -1.52 0.37 1 94 LEU -4.37 -3.82 1 96 LEU -4.57 -3.42 1 98 LYS 1.10 1.46 1 100 GLN 0.57 1.44 1 stop_ save_