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 bmr30293_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.28 _LACS_plot.Line_1_terminator_val_y_1 -2.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.99 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 4.87 _LACS_plot.Y_axis_chem_shift_offset -0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 ASP -4.28 -2.08 0 39 HIS 0.79 3.30 0 10 THR 1.30 0.55 1 11 LYS 4.59 4.18 1 12 PHE 3.04 0.54 1 13 TYR 6.46 4.00 1 14 ASP 4.15 2.98 1 15 ILE 4.11 3.45 1 16 LEU 0.10 0.15 1 18 VAL -3.39 -2.90 1 20 VAL 3.00 0.83 1 21 THR -0.30 -1.84 1 22 ALA -0.70 0.14 1 23 THR -3.04 -1.25 1 24 ASP 4.68 3.70 1 25 VAL 4.50 3.98 1 26 GLU 2.84 2.91 1 27 ILE 5.78 5.21 1 28 LYS 5.36 4.80 1 29 LYS 4.00 3.74 1 30 ALA 2.29 2.60 1 31 TYR 3.76 3.67 1 32 ARG 5.12 3.30 1 33 LYS 4.50 3.71 1 35 ALA 4.12 2.41 1 36 LEU 2.44 2.21 1 37 LYS 2.18 2.17 1 38 TYR -2.35 -1.71 1 41 ASP 2.97 2.05 1 42 LYS -1.17 -0.78 1 43 ASN -2.17 -1.13 1 45 SER -1.07 0.46 1 46 GLU 3.58 2.98 1 47 GLU 3.51 2.85 1 48 ALA 3.89 2.64 1 49 ALA 4.17 2.58 1 50 GLU 3.19 2.63 1 51 LYS 4.97 2.27 1 52 PHE 4.46 3.73 1 53 LYS 4.45 3.73 1 54 GLU 2.44 2.63 1 55 ALA 3.76 2.62 1 56 SER 4.85 3.68 1 57 ALA 3.68 2.31 1 58 ALA 2.14 1.52 1 59 TYR 3.20 3.44 1 60 GLU 3.52 2.73 1 61 ILE 2.40 0.21 1 62 LEU 1.85 1.65 1 63 SER 0.74 0.59 1 66 GLU 2.68 2.63 1 67 LYS 3.80 3.32 1 68 ARG 5.49 4.29 1 69 ASP 3.66 3.42 1 70 ILE 3.96 3.37 1 71 TYR 3.67 3.45 1 72 ASP 3.08 2.37 1 73 GLN 1.70 2.25 1 74 PHE -0.45 0.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30293_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.28 _LACS_plot.Line_1_terminator_val_y_1 1.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.01 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 -1.58 _LACS_plot.Y_axis_chem_shift_offset -0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 ASP -4.28 2.20 0 39 HIS 0.79 2.51 0 10 THR 1.30 -0.75 1 11 LYS 4.59 -0.41 1 12 PHE 3.04 -2.50 1 13 TYR 6.46 -2.46 1 14 ASP 4.15 -1.17 1 15 ILE 4.11 -0.66 1 16 LEU 0.10 0.05 1 18 VAL -3.39 0.49 1 20 VAL 3.00 -2.17 1 21 THR -0.30 -1.54 1 22 ALA -0.70 0.84 1 23 THR -3.04 1.79 1 24 ASP 4.68 -0.98 1 25 VAL 4.50 -0.52 1 26 GLU 2.84 0.07 1 27 ILE 5.78 -0.57 1 28 LYS 5.36 -0.56 1 29 LYS 4.00 -0.26 1 30 ALA 2.29 0.31 1 31 TYR 3.76 -0.09 1 32 ARG 5.12 -1.82 1 33 LYS 4.50 -0.79 1 35 ALA 4.12 -1.71 1 36 LEU 2.44 -0.23 1 37 LYS 2.18 -0.01 1 38 TYR -2.35 0.64 1 41 ASP 2.97 -0.92 1 42 LYS -1.17 0.39 1 43 ASN -2.17 1.04 1 45 SER -1.07 1.53 1 46 GLU 3.58 -0.60 1 47 GLU 3.51 -0.66 1 48 ALA 3.89 -1.25 1 49 ALA 4.17 -1.59 1 50 GLU 3.19 -0.56 1 51 LYS 4.97 -2.70 1 52 PHE 4.46 -0.73 1 53 LYS 4.45 -0.72 1 54 GLU 2.44 0.19 1 55 ALA 3.76 -1.14 1 56 SER 4.85 -1.17 1 57 ALA 3.68 -1.37 1 58 ALA 2.14 -0.62 1 59 TYR 3.20 0.24 1 60 GLU 3.52 -0.79 1 61 ILE 2.40 -2.19 1 62 LEU 1.85 -0.20 1 63 SER 0.74 -0.15 1 66 GLU 2.68 -0.05 1 67 LYS 3.80 -0.48 1 68 ARG 5.49 -1.20 1 69 ASP 3.66 -0.24 1 70 ILE 3.96 -0.59 1 71 TYR 3.67 -0.22 1 72 ASP 3.08 -0.71 1 73 GLN 1.70 0.55 1 74 PHE -0.45 1.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30293_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.28 _LACS_plot.Line_1_terminator_val_y_1 0.30 _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 0.12 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _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 20 VAL 3.00 -1.62 0 58 ALA 2.14 -1.68 0 10 THR 1.30 0.27 1 11 LYS 4.59 -0.15 1 12 PHE 3.04 -0.12 1 13 TYR 6.46 -0.65 1 14 ASP 4.15 -0.25 1 15 ILE 4.11 -0.38 1 16 LEU 0.10 0.06 1 18 VAL -3.39 0.53 1 21 THR -0.30 -0.23 1 22 ALA -0.70 0.08 1 23 THR -3.04 0.24 1 24 ASP 4.68 -0.38 1 25 VAL 4.50 -0.37 1 26 GLU 2.84 -0.39 1 27 ILE 5.78 -0.54 1 28 LYS 5.36 -0.11 1 29 LYS 4.00 -0.35 1 30 ALA 2.29 -0.11 1 31 TYR 3.76 -0.43 1 32 ARG 5.12 -0.74 1 33 LYS 4.50 -0.38 1 35 ALA 4.12 -0.57 1 36 LEU 2.44 -0.32 1 37 LYS 2.18 -0.42 1 38 TYR -2.35 0.24 1 39 HIS 0.79 -1.34 1 41 ASP 2.97 -0.15 1 42 LYS -1.17 0.07 1 43 ASN -2.17 -0.04 1 45 SER -1.07 -0.05 1 46 GLU 3.58 -0.21 1 47 GLU 3.51 -0.27 1 48 ALA 3.89 -0.44 1 49 ALA 4.17 0.13 1 50 GLU 3.19 -0.28 1 51 LYS 4.97 -0.40 1 52 PHE 4.46 -0.49 1 53 LYS 4.45 -0.37 1 54 GLU 2.44 -0.24 1 55 ALA 3.76 -0.30 1 56 SER 4.85 -0.49 1 57 ALA 3.68 -0.41 1 59 TYR 3.20 -1.02 1 60 GLU 3.52 -1.01 1 61 ILE 2.40 -0.45 1 62 LEU 1.85 -0.69 1 63 SER 0.74 -0.53 1 64 ASP -4.28 0.23 1 66 GLU 2.68 -0.15 1 67 LYS 3.80 -0.25 1 68 ARG 5.49 -0.61 1 69 ASP 3.66 -0.18 1 70 ILE 3.96 -0.26 1 71 TYR 3.67 -0.18 1 72 ASP 3.08 -0.06 1 73 GLN 1.70 -0.39 1 74 PHE -0.45 0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30293_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.04 _LACS_plot.Line_1_terminator_val_y_1 -0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.34 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 2.88 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 THR -3.04 0.44 0 38 TYR -2.35 -2.93 0 10 THR 1.30 1.87 1 11 LYS 4.59 1.11 1 12 PHE 3.04 1.38 1 13 TYR 6.46 2.40 1 14 ASP 4.15 3.76 1 15 ILE 4.11 1.19 1 16 LEU 0.10 -1.55 1 20 VAL 3.00 -0.28 1 21 THR -0.30 -0.04 1 22 ALA -0.70 0.33 1 24 ASP 4.68 2.77 1 25 VAL 4.50 2.16 1 26 GLU 2.84 3.83 1 27 ILE 5.78 0.59 1 28 LYS 5.36 2.62 1 29 LYS 4.00 2.67 1 30 ALA 2.29 3.26 1 31 TYR 3.76 0.74 1 32 ARG 5.12 2.41 1 33 LYS 4.50 2.88 1 35 ALA 4.12 1.56 1 36 LEU 2.44 0.94 1 37 LYS 2.18 1.39 1 41 ASP 2.97 1.07 1 42 LYS -1.17 -0.04 1 45 SER -1.07 1.32 1 46 GLU 3.58 2.61 1 47 GLU 3.51 1.89 1 48 ALA 3.89 0.63 1 49 ALA 4.17 3.76 1 50 GLU 3.19 2.82 1 51 LYS 4.97 3.50 1 52 PHE 4.46 2.84 1 53 LYS 4.45 2.83 1 54 GLU 2.44 2.21 1 55 ALA 3.76 1.35 1 56 SER 4.85 0.79 1 57 ALA 3.68 1.68 1 58 ALA 2.14 0.91 1 59 TYR 3.20 1.52 1 60 GLU 3.52 0.24 1 61 ILE 2.40 -0.39 1 62 LEU 1.85 -0.32 1 63 SER 0.74 -1.54 1 66 GLU 2.68 3.03 1 67 LYS 3.80 3.06 1 68 ARG 5.49 0.93 1 69 ASP 3.66 2.72 1 70 ILE 3.96 2.01 1 71 TYR 3.67 3.18 1 72 ASP 3.08 1.38 1 73 GLN 1.70 1.28 1 74 PHE -0.45 0.42 1 stop_ save_