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 bmr5622_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.01 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.74 _LACS_plot.Line_2_terminator_val_x_2 6.53 _LACS_plot.Line_2_terminator_val_y_2 4.46 _LACS_plot.Y_axis_chem_shift_offset -0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 THR 2.57 -3.36 0 10 SER -1.57 0.38 1 15 TYR -0.43 1.68 1 18 MET 4.38 3.87 1 19 ALA 3.38 2.39 1 20 ILE 4.81 2.75 1 21 GLU 3.85 3.31 1 22 VAL 4.49 3.36 1 23 VAL 6.53 4.56 1 24 ASP 5.19 3.44 1 25 GLU 4.40 3.28 1 26 ALA 4.82 2.51 1 27 LYS 3.75 2.15 1 28 LYS 4.04 3.24 1 29 GLU 1.45 1.69 1 30 PHE 0.55 1.69 1 32 ASP 2.21 1.09 1 33 LYS 1.49 1.78 1 34 ILE -5.54 -2.83 1 35 ASP -4.32 -1.30 1 36 VAL -1.94 -0.88 1 37 GLU -4.42 -1.84 1 38 LYS -0.41 -0.78 1 39 ILE -2.34 -0.20 1 40 ASP -2.79 -2.09 1 41 ILE 3.15 2.50 1 42 MET 2.53 0.21 1 43 VAL 0.94 1.55 1 44 ASP -1.45 -0.94 1 45 ARG 0.98 1.15 1 46 GLU 4.65 3.97 1 47 LYS 3.16 1.97 1 48 ALA 3.96 2.69 1 49 ILE 4.07 3.18 1 50 GLU 3.47 2.84 1 51 TYR -0.73 -1.10 1 53 LEU 0.16 0.40 1 54 MET 4.31 4.21 1 55 ALA -3.82 -1.01 1 56 VAL -3.12 -1.85 1 58 ALA -6.01 -1.24 1 59 ILE -4.75 -0.91 1 60 ALA -5.17 -2.49 1 61 ILE -2.20 -1.11 1 62 ASN 2.66 0.82 1 64 VAL -3.68 -1.53 1 65 VAL 5.64 3.40 1 66 ARG -3.67 -2.04 1 67 PHE -3.97 -0.88 1 68 VAL 1.32 0.67 1 70 ALA -5.13 -0.56 1 72 SER -2.58 -1.25 1 73 ARG 4.94 3.84 1 74 GLU 5.11 4.02 1 75 GLU 2.17 2.29 1 76 LEU 4.33 2.81 1 77 PHE 5.74 2.79 1 78 GLU 3.59 3.15 1 79 ALA 3.17 2.39 1 80 ILE 6.00 5.13 1 81 ASN 3.92 3.81 1 82 ASP -4.16 -2.47 1 83 GLU 0.69 3.33 1 84 MET 4.64 1.62 1 85 GLU -4.60 -0.59 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5622_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.01 _LACS_plot.Line_1_terminator_val_y_1 3.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.26 _LACS_plot.Line_2_terminator_val_x_2 6.53 _LACS_plot.Line_2_terminator_val_y_2 -2.07 _LACS_plot.Y_axis_chem_shift_offset -0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 THR 2.57 -5.93 0 10 SER -1.57 1.95 1 15 TYR -0.43 2.11 1 18 MET 4.38 -0.51 1 19 ALA 3.38 -0.99 1 20 ILE 4.81 -2.06 1 21 GLU 3.85 -0.54 1 22 VAL 4.49 -1.13 1 23 VAL 6.53 -1.97 1 24 ASP 5.19 -1.75 1 25 GLU 4.40 -1.12 1 26 ALA 4.82 -2.31 1 27 LYS 3.75 -1.60 1 28 LYS 4.04 -0.80 1 29 GLU 1.45 0.24 1 30 PHE 0.55 1.14 1 32 ASP 2.21 -1.12 1 33 LYS 1.49 0.29 1 34 ILE -5.54 2.71 1 35 ASP -4.32 3.02 1 36 VAL -1.94 1.06 1 37 GLU -4.42 2.58 1 38 LYS -0.41 -0.37 1 39 ILE -2.34 2.14 1 40 ASP -2.79 0.70 1 41 ILE 3.15 -0.65 1 42 MET 2.53 -2.32 1 43 VAL 0.94 0.61 1 44 ASP -1.45 0.51 1 45 ARG 0.98 0.17 1 46 GLU 4.65 -0.68 1 47 LYS 3.16 -1.19 1 48 ALA 3.96 -1.27 1 49 ILE 4.07 -0.89 1 50 GLU 3.47 -0.63 1 51 TYR -0.73 -0.37 1 53 LEU 0.16 0.24 1 54 MET 4.31 -0.10 1 55 ALA -3.82 2.81 1 56 VAL -3.12 1.27 1 58 ALA -6.01 4.77 1 59 ILE -4.75 3.84 1 60 ALA -5.17 2.68 1 61 ILE -2.20 1.09 1 62 ASN 2.66 -1.84 1 64 VAL -3.68 2.15 1 65 VAL 5.64 -2.24 1 66 ARG -3.67 1.63 1 67 PHE -3.97 3.09 1 68 VAL 1.32 -0.65 1 70 ALA -5.13 4.57 1 72 SER -2.58 1.33 1 73 ARG 4.94 -1.10 1 74 GLU 5.11 -1.09 1 75 GLU 2.17 0.12 1 76 LEU 4.33 -1.52 1 77 PHE 5.74 -2.95 1 78 GLU 3.59 -0.44 1 79 ALA 3.17 -0.78 1 80 ILE 6.00 -0.87 1 81 ASN 3.92 -0.11 1 82 ASP -4.16 1.69 1 83 GLU 0.69 2.64 1 84 MET 4.64 -3.02 1 85 GLU -4.60 4.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5622_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.01 _LACS_plot.Line_1_terminator_val_y_1 0.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 6.53 _LACS_plot.Line_2_terminator_val_y_2 -0.43 _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 34 ILE -5.54 1.17 0 59 ILE -4.75 1.27 0 10 SER -1.57 0.34 1 12 THR 2.57 0.06 1 15 TYR -0.43 0.44 1 18 MET 4.38 -0.19 1 19 ALA 3.38 -0.22 1 20 ILE 4.81 -0.68 1 21 GLU 3.85 -0.23 1 22 VAL 4.49 -0.09 1 23 VAL 6.53 -0.41 1 24 ASP 5.19 -0.12 1 25 GLU 4.40 -0.20 1 26 ALA 4.82 -0.22 1 27 LYS 3.75 -0.23 1 28 LYS 4.04 -0.30 1 29 GLU 1.45 -0.34 1 30 PHE 0.55 -0.24 1 32 ASP 2.21 -0.13 1 33 LYS 1.49 -0.04 1 35 ASP -4.32 0.31 1 36 VAL -1.94 0.64 1 37 GLU -4.42 0.25 1 38 LYS -0.41 0.47 1 39 ILE -2.34 -0.03 1 40 ASP -2.79 0.35 1 41 ILE 3.15 -0.31 1 42 MET 2.53 0.09 1 43 VAL 0.94 -0.07 1 44 ASP -1.45 0.33 1 45 ARG 0.98 0.00 1 46 GLU 4.65 -0.41 1 47 LYS 3.16 -0.33 1 48 ALA 3.96 -0.70 1 49 ILE 4.07 -0.37 1 50 GLU 3.47 -0.42 1 51 TYR -0.73 0.06 1 53 LEU 0.16 -0.33 1 54 MET 4.31 0.11 1 55 ALA -3.82 0.23 1 56 VAL -3.12 -0.01 1 58 ALA -6.01 1.07 1 60 ALA -5.17 1.09 1 61 ILE -2.20 -0.08 1 62 ASN 2.66 -0.11 1 64 VAL -3.68 0.00 1 65 VAL 5.64 0.19 1 66 ARG -3.67 0.00 1 67 PHE -3.97 0.42 1 68 VAL 1.32 0.37 1 70 ALA -5.13 -0.14 1 72 SER -2.58 -0.11 1 73 ARG 4.94 -0.89 1 74 GLU 5.11 -0.60 1 75 GLU 2.17 -0.22 1 76 LEU 4.33 -0.21 1 77 PHE 5.74 -0.28 1 78 GLU 3.59 -0.16 1 79 ALA 3.17 -0.01 1 80 ILE 6.00 -0.89 1 81 ASN 3.92 -0.37 1 82 ASP -4.16 -0.23 1 83 GLU 0.69 0.15 1 84 MET 4.64 -0.43 1 85 GLU -4.60 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5622_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.01 _LACS_plot.Line_1_terminator_val_y_1 -1.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 6.53 _LACS_plot.Line_2_terminator_val_y_2 2.00 _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 40 ASP -2.79 2.39 0 34 ILE -5.54 0.47 0 61 ILE -2.20 -4.43 0 12 THR 2.57 2.40 1 15 TYR -0.43 1.99 1 18 MET 4.38 2.15 1 19 ALA 3.38 0.08 1 20 ILE 4.81 3.02 1 21 GLU 3.85 2.91 1 22 VAL 4.49 1.50 1 23 VAL 6.53 1.58 1 24 ASP 5.19 4.31 1 25 GLU 4.40 3.33 1 26 ALA 4.82 1.20 1 27 LYS 3.75 -1.22 1 28 LYS 4.04 1.27 1 29 GLU 1.45 1.12 1 30 PHE 0.55 -2.22 1 32 ASP 2.21 0.43 1 33 LYS 1.49 -0.04 1 35 ASP -4.32 -1.87 1 36 VAL -1.94 -1.32 1 37 GLU -4.42 -2.47 1 38 LYS -0.41 -1.03 1 39 ILE -2.34 -2.64 1 41 ILE 3.15 0.28 1 42 MET 2.53 1.52 1 43 VAL 0.94 -0.29 1 44 ASP -1.45 -1.17 1 45 ARG 0.98 1.78 1 46 GLU 4.65 2.63 1 47 LYS 3.16 1.10 1 48 ALA 3.96 2.15 1 49 ILE 4.07 -1.27 1 50 GLU 3.47 2.23 1 51 TYR -0.73 0.78 1 53 LEU 0.16 -0.76 1 54 MET 4.31 -1.43 1 55 ALA -3.82 -3.42 1 58 ALA -6.01 -1.97 1 59 ILE -4.75 -0.29 1 60 ALA -5.17 -1.93 1 62 ASN 2.66 -2.42 1 64 VAL -3.68 -0.15 1 65 VAL 5.64 -1.15 1 66 ARG -3.67 -1.28 1 67 PHE -3.97 -0.83 1 68 VAL 1.32 -0.10 1 72 SER -2.58 0.38 1 73 ARG 4.94 0.76 1 74 GLU 5.11 2.97 1 75 GLU 2.17 3.23 1 76 LEU 4.33 -0.01 1 77 PHE 5.74 2.94 1 78 GLU 3.59 1.18 1 79 ALA 3.17 2.54 1 80 ILE 6.00 1.16 1 81 ASN 3.92 2.03 1 82 ASP -4.16 0.28 1 83 GLU 0.69 -2.35 1 84 MET 4.64 0.55 1 stop_ save_