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 bmr25950_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.41 _LACS_plot.Line_1_terminator_val_y_1 -3.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 3.67 _LACS_plot.Line_2_terminator_val_y_2 2.41 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 THR -9.41 -1.60 0 10 TRP -2.38 0.18 1 12 THR -0.28 -0.24 1 13 VAL 0.39 0.53 1 15 SER -4.56 -1.12 1 16 ILE -5.40 -2.34 1 17 ARG -2.95 -1.34 1 18 VAL -3.30 -0.93 1 19 TYR -1.35 -0.14 1 20 THR -2.01 -1.69 1 21 ALA -2.92 -0.65 1 22 ASN 2.72 1.11 1 23 ASN -3.60 -1.04 1 25 LYS -2.38 -1.70 1 26 ILE -3.64 -1.74 1 28 GLU -5.88 -3.28 1 29 ARG -1.88 -1.14 1 31 TRP -3.21 -1.54 1 32 ASP -1.55 -1.43 1 34 LYS -0.14 0.33 1 36 TRP -3.00 -1.49 1 37 TYR 3.15 2.71 1 38 THR 0.39 0.85 1 40 ALA 3.68 2.78 1 41 PHE -0.79 -0.28 1 42 ASN -3.02 -2.26 1 43 GLU -2.42 0.19 1 46 ASP -6.06 -0.53 1 47 ASN -6.67 -3.05 1 48 VAL -3.27 0.26 1 49 SER -5.36 -3.02 1 50 VAL -0.86 -0.75 1 51 THR -3.98 -0.51 1 52 SER -1.95 0.22 1 53 TRP -4.58 -1.56 1 54 LEU 0.64 0.21 1 55 VAL -0.42 -0.19 1 57 SER -1.76 -0.73 1 58 ALA -5.87 -4.79 1 59 ILE -2.75 -1.86 1 60 HIS -3.26 -0.65 1 61 ILE -4.34 -2.64 1 62 ARG -3.19 -1.98 1 63 VAL 1.92 -0.03 1 64 TYR -5.31 -2.00 1 65 ALA -1.58 -0.18 1 66 SER -0.92 0.33 1 67 THR 0.64 -0.64 1 69 THR -0.03 0.61 1 70 THR -0.87 -0.12 1 71 THR -0.94 0.21 1 72 THR -7.73 -2.78 1 73 GLU -6.15 -2.05 1 74 TRP 0.40 -0.76 1 76 TRP -3.58 -1.91 1 77 ASP -1.05 -0.57 1 79 ASN -0.69 -0.09 1 81 TRP -4.03 -1.68 1 82 THR 1.74 1.23 1 83 LYS -0.26 0.00 1 85 ALA 2.39 3.68 1 86 TYR -5.93 -3.24 1 87 THR -1.17 0.37 1 88 ALA -1.85 -1.12 1 89 THR 1.11 2.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25950_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.41 _LACS_plot.Line_1_terminator_val_y_1 5.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.04 _LACS_plot.Line_2_terminator_val_x_2 3.67 _LACS_plot.Line_2_terminator_val_y_2 -1.26 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 THR -9.41 7.81 0 10 TRP -2.38 2.56 1 12 THR -0.28 0.04 1 13 VAL 0.39 0.14 1 15 SER -4.56 3.44 1 16 ILE -5.40 3.06 1 17 ARG -2.95 1.61 1 18 VAL -3.30 2.37 1 19 TYR -1.35 1.21 1 20 THR -2.01 0.32 1 21 ALA -2.92 2.27 1 22 ASN 2.72 -1.61 1 23 ASN -3.60 2.56 1 25 LYS -2.38 0.68 1 26 ILE -3.64 1.90 1 28 GLU -5.88 2.60 1 29 ARG -1.88 0.74 1 31 TRP -3.21 1.67 1 32 ASP -1.55 0.12 1 34 LYS -0.14 0.47 1 36 TRP -3.00 1.51 1 37 TYR 3.15 -0.44 1 38 THR 0.39 0.46 1 40 ALA 3.68 -0.90 1 41 PHE -0.79 0.51 1 42 ASN -3.02 0.76 1 43 GLU -2.42 2.61 1 46 ASP -6.06 5.53 1 47 ASN -6.67 3.62 1 48 VAL -3.27 3.53 1 49 SER -5.36 2.34 1 50 VAL -0.86 0.11 1 51 THR -3.98 3.47 1 52 SER -1.95 2.17 1 53 TRP -4.58 3.02 1 54 LEU 0.64 -0.43 1 55 VAL -0.42 0.23 1 57 SER -1.76 1.03 1 58 ALA -5.87 1.08 1 59 ILE -2.75 0.89 1 60 HIS -3.26 2.61 1 61 ILE -4.34 1.70 1 62 ARG -3.19 1.21 1 63 VAL 1.92 -1.95 1 64 TYR -5.31 3.31 1 65 ALA -1.58 1.40 1 66 SER -0.92 1.25 1 67 THR 0.64 -1.28 1 69 THR -0.03 0.64 1 70 THR -0.87 0.75 1 71 THR -0.94 1.15 1 72 THR -7.73 4.95 1 73 GLU -6.15 4.10 1 74 TRP 0.40 -1.16 1 76 TRP -3.58 1.67 1 77 ASP -1.05 0.48 1 79 ASN -0.69 0.60 1 81 TRP -4.03 2.35 1 82 THR 1.74 -0.51 1 83 LYS -0.26 0.26 1 85 ALA 2.39 1.29 1 86 TYR -5.93 2.69 1 87 THR -1.17 1.54 1 88 ALA -1.85 0.73 1 89 THR 1.11 1.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25950_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.41 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 3.67 _LACS_plot.Line_2_terminator_val_y_2 0.16 _LACS_plot.Y_axis_chem_shift_offset 0.68 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 THR -0.86 -4.58 0 65 ALA -5.31 -5.27 0 28 GLU -9.41 -1.06 0 10 TRP -2.38 -1.28 1 12 THR -0.28 0.72 1 15 SER 0.39 -1.43 1 16 ILE -4.56 1.02 1 17 ARG -5.40 -2.27 1 18 VAL -2.95 -0.37 1 19 TYR -3.30 -0.98 1 20 THR -1.35 -1.87 1 21 ALA -2.01 -1.68 1 22 ASN -2.92 0.08 1 23 ASN 2.72 0.04 1 25 LYS -3.60 -2.50 1 26 ILE -2.38 -0.90 1 27 THR -3.64 -1.70 1 29 ARG -5.88 -1.17 1 31 TRP -1.88 -1.08 1 36 TRP -0.14 1.32 1 37 TYR -3.00 -1.54 1 38 THR 3.15 0.17 1 40 ALA 0.39 0.80 1 41 PHE 3.68 -0.53 1 42 ASN -0.79 -1.75 1 43 GLU -3.02 0.37 1 46 ASP -2.42 -0.56 1 47 ASN -6.06 -2.45 1 48 VAL -6.67 -3.51 1 49 SER -3.27 -2.57 1 50 VAL -5.36 0.48 1 52 SER -3.98 -2.44 1 53 TRP -1.95 -3.87 1 54 LEU -4.58 0.71 1 55 VAL 0.64 1.03 1 57 SER -0.42 -1.09 1 58 ALA -1.76 -2.83 1 59 ILE -5.87 -4.15 1 60 HIS -2.75 -1.50 1 61 ILE -3.26 0.59 1 62 ARG -4.34 -3.42 1 63 VAL -3.19 -2.18 1 64 TYR 1.92 -0.66 1 66 SER -1.58 -1.31 1 67 THR -0.92 -0.06 1 69 THR 0.64 -0.17 1 70 THR -0.03 -0.89 1 71 THR -0.87 -1.92 1 72 THR -0.94 -3.38 1 73 GLU -7.73 -3.25 1 74 TRP -6.15 0.21 1 76 TRP 0.40 -0.55 1 81 TRP -0.69 2.05 1 82 THR -4.03 -1.21 1 83 LYS 1.74 1.54 1 85 ALA -0.26 -0.88 1 86 TYR 2.39 -0.86 1 87 THR -5.93 -1.75 1 88 ALA -1.17 -1.28 1 89 THR -1.85 -1.72 1 stop_ save_