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 bmr4578_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -4.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 4.96 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 MET 5.30 -1.00 0 10 LYS -0.93 -1.85 1 13 MET 3.09 -1.64 1 14 ALA 0.89 0.92 1 16 HIS -3.41 -2.27 1 17 ALA -6.80 -3.85 1 18 ILE 6.05 4.29 1 19 ASP -0.93 -0.12 1 20 THR -3.81 -2.16 1 21 LYS 1.53 0.86 1 22 MET 1.42 -0.06 1 23 VAL 1.83 2.55 1 26 ALA -0.70 -2.11 1 27 TYR 3.06 -0.05 1 28 LYS 4.78 3.50 1 29 ASP 3.88 2.57 1 30 VAL 5.71 4.67 1 31 ALA 3.85 3.28 1 32 ALA 2.80 2.09 1 33 LYS 3.12 2.87 1 34 TYR -0.48 0.78 1 35 ALA 2.89 2.07 1 37 GLN -0.78 -0.80 1 38 ALA 2.43 1.31 1 40 ALA 2.44 3.42 1 41 GLU 5.12 4.11 1 42 ALA 3.15 2.18 1 43 TYR 3.73 3.06 1 44 LEU 2.21 2.46 1 45 ALA 4.74 3.23 1 46 GLN 3.90 2.86 1 47 ARG 2.07 0.02 1 48 ILE 4.22 3.73 1 49 LYS 2.65 2.94 1 50 ASN 0.12 0.82 1 52 SER -2.61 -1.39 1 53 GLN -0.43 1.06 1 55 VAL 3.88 3.73 1 56 TRP -1.42 -0.80 1 59 ILE -1.61 -0.91 1 64 ASN -4.42 -0.87 1 65 ALA 1.71 -1.25 1 66 VAL -5.88 -4.48 1 67 SER -3.40 -1.60 1 68 ASP 5.48 4.07 1 69 ASP 3.69 3.06 1 70 GLU 2.39 2.27 1 71 ALA 4.69 3.40 1 72 GLN 5.47 4.01 1 73 THR 6.45 5.10 1 74 LEU 3.41 3.42 1 75 ALA 2.73 3.73 1 76 LYS 4.34 3.91 1 77 TRP 4.52 3.01 1 78 ILE 6.11 5.05 1 79 LEU 3.44 2.30 1 80 SER 0.90 0.90 1 81 GLN 2.20 -1.00 1 82 LYS 0.48 1.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4578_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 2.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 -1.49 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 MET 5.30 -6.30 0 10 LYS -0.93 -0.92 1 13 MET 3.09 -4.73 1 14 ALA 0.89 0.03 1 16 HIS -3.41 1.14 1 17 ALA -6.80 2.95 1 18 ILE 6.05 -1.76 1 19 ASP -0.93 0.81 1 20 THR -3.81 1.65 1 21 LYS 1.53 -0.67 1 22 MET 1.42 -1.48 1 23 VAL 1.83 0.72 1 26 ALA -0.70 -1.41 1 27 TYR 3.06 -3.11 1 28 LYS 4.78 -1.28 1 29 ASP 3.88 -1.31 1 30 VAL 5.71 -1.04 1 31 ALA 3.85 -0.57 1 32 ALA 2.80 -0.71 1 33 LYS 3.12 -0.25 1 34 TYR -0.48 1.26 1 35 ALA 2.89 -0.82 1 37 GLN -0.78 -0.02 1 38 ALA 2.43 -1.12 1 40 ALA 2.44 0.98 1 41 GLU 5.12 -1.01 1 42 ALA 3.15 -0.97 1 43 TYR 3.73 -0.67 1 44 LEU 2.21 0.25 1 45 ALA 4.74 -1.51 1 46 GLN 3.90 -1.04 1 47 ARG 2.07 -2.05 1 48 ILE 4.22 -0.49 1 49 LYS 2.65 0.29 1 50 ASN 0.12 0.70 1 52 SER -2.61 1.22 1 53 GLN -0.43 1.49 1 55 VAL 3.88 -0.15 1 56 TRP -1.42 0.62 1 59 ILE -1.61 0.70 1 64 ASN -4.42 3.55 1 65 ALA 1.71 -2.96 1 66 VAL -5.88 1.40 1 67 SER -3.40 1.80 1 68 ASP 5.48 -1.41 1 69 ASP 3.69 -0.63 1 70 GLU 2.39 -0.12 1 71 ALA 4.69 -1.29 1 72 GLN 5.47 -1.46 1 73 THR 6.45 -1.35 1 74 LEU 3.41 0.01 1 75 ALA 2.73 1.00 1 76 LYS 4.34 -0.43 1 77 TRP 4.52 -1.51 1 78 ILE 6.11 -1.06 1 79 LEU 3.44 -1.14 1 80 SER 0.90 0.00 1 81 GLN 2.20 -3.20 1 82 LYS 0.48 0.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4578_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 0.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 -0.45 _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 48 ILE 4.22 -2.54 0 10 LYS -0.93 0.41 1 13 MET 3.09 0.37 1 14 ALA 0.89 -0.01 1 16 HIS -3.41 -1.28 1 17 ALA -6.80 -0.17 1 18 ILE 6.05 -0.76 1 19 ASP -0.93 -0.02 1 20 THR -3.81 0.10 1 21 LYS 1.53 -0.68 1 22 MET 1.42 -0.06 1 23 VAL 1.83 -0.11 1 26 ALA -0.70 -0.48 1 27 TYR 3.06 -0.46 1 28 LYS 4.78 -0.29 1 29 ASP 3.88 0.08 1 30 VAL 5.71 0.04 1 31 ALA 3.85 -0.26 1 32 ALA 2.80 -0.13 1 33 LYS 3.12 -0.27 1 34 TYR -0.48 0.24 1 35 ALA 2.89 -0.06 1 37 GLN -0.78 0.20 1 38 ALA 2.43 0.03 1 40 ALA 2.44 -0.13 1 41 GLU 5.12 -0.53 1 42 ALA 3.15 -0.17 1 43 TYR 3.73 -0.36 1 44 LEU 2.21 -0.56 1 45 ALA 4.74 -0.40 1 46 GLN 3.90 -0.48 1 47 ARG 2.07 -0.72 1 49 LYS 2.65 -0.37 1 50 ASN 0.12 -0.24 1 52 SER -2.61 -0.17 1 53 GLN -0.43 0.09 1 55 VAL 3.88 -0.23 1 56 TRP -1.42 0.17 1 59 ILE -1.61 0.31 1 61 MET 5.30 -1.09 1 64 ASN -4.42 0.08 1 65 ALA 1.71 0.25 1 66 VAL -5.88 0.77 1 67 SER -3.40 0.19 1 68 ASP 5.48 -0.28 1 69 ASP 3.69 -0.17 1 70 GLU 2.39 -0.67 1 71 ALA 4.69 -0.27 1 72 GLN 5.47 -0.29 1 73 THR 6.45 -0.39 1 74 LEU 3.41 0.09 1 75 ALA 2.73 -0.21 1 76 LYS 4.34 -0.33 1 77 TRP 4.52 -0.16 1 78 ILE 6.11 -1.53 1 79 LEU 3.44 -0.37 1 80 SER 0.90 0.07 1 81 GLN 2.20 -0.31 1 82 LYS 0.48 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4578_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 2.00 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 VAL -5.88 -1.40 0 26 ALA -0.70 2.71 0 17 ALA -6.80 -1.91 0 10 LYS -0.93 0.31 1 13 MET 3.09 0.23 1 14 ALA 0.89 0.48 1 16 HIS -3.41 -2.60 1 18 ILE 6.05 0.16 1 19 ASP -0.93 -1.42 1 20 THR -3.81 -2.60 1 21 LYS 1.53 -1.48 1 22 MET 1.42 -2.60 1 23 VAL 1.83 0.51 1 27 TYR 3.06 2.04 1 28 LYS 4.78 1.72 1 29 ASP 3.88 2.53 1 30 VAL 5.71 1.08 1 31 ALA 3.85 1.74 1 32 ALA 2.80 1.97 1 33 LYS 3.12 1.44 1 34 TYR -0.48 -0.67 1 35 ALA 2.89 1.41 1 37 GLN -0.78 0.51 1 38 ALA 2.43 1.60 1 40 ALA 2.44 0.80 1 41 GLU 5.12 0.32 1 42 ALA 3.15 2.69 1 43 TYR 3.73 1.71 1 44 LEU 2.21 1.46 1 45 ALA 4.74 1.34 1 46 GLN 3.90 2.00 1 47 ARG 2.07 1.13 1 48 ILE 4.22 0.07 1 49 LYS 2.65 0.55 1 50 ASN 0.12 0.77 1 52 SER -2.61 -2.78 1 53 GLN -0.43 -0.58 1 55 VAL 3.88 1.41 1 56 TRP -1.42 0.08 1 59 ILE -1.61 -0.50 1 61 MET 5.30 -0.82 1 64 ASN -4.42 -0.85 1 65 ALA 1.71 -2.08 1 67 SER -3.40 0.43 1 68 ASP 5.48 2.04 1 69 ASP 3.69 2.56 1 70 GLU 2.39 1.59 1 71 ALA 4.69 1.27 1 72 GLN 5.47 1.80 1 73 THR 6.45 2.79 1 74 LEU 3.41 0.30 1 75 ALA 2.73 0.84 1 76 LYS 4.34 2.39 1 77 TRP 4.52 4.03 1 78 ILE 6.11 0.73 1 79 LEU 3.44 -0.25 1 80 SER 0.90 -0.07 1 81 GLN 2.20 -1.75 1 stop_ save_