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 bmr4401_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 -3.72 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 5.37 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 THR -7.53 -3.51 0 30 ASP 0.41 -1.83 0 10 ALA 3.75 3.03 1 11 ARG 4.11 3.69 1 12 ALA 1.90 1.28 1 13 PHE 0.14 1.60 1 14 LEU -4.24 -1.37 1 15 SER -3.77 -1.88 1 16 GLU 3.99 3.59 1 17 GLU 4.20 3.53 1 19 ILE 6.87 5.96 1 20 ALA 4.02 2.84 1 21 GLU 2.49 1.68 1 22 PHE 4.67 2.86 1 23 LYS 4.21 2.36 1 24 ALA 3.92 2.57 1 25 ALA 2.01 1.37 1 26 PHE 4.56 4.79 1 27 ASP 4.07 3.00 1 31 ALA 2.22 2.56 1 32 ASP -0.15 -1.30 1 36 ASP -1.74 -1.48 1 37 ILE -2.11 -0.92 1 38 SER -5.08 -2.26 1 39 THR 6.83 5.46 1 40 LYS 1.31 3.35 1 41 GLU 2.49 2.43 1 42 LEU 2.69 2.93 1 44 THR 6.11 5.42 1 45 VAL 5.77 4.42 1 47 ARG 4.08 3.18 1 48 MET 3.97 3.58 1 49 LEU 0.32 -0.32 1 51 GLN -3.10 -1.54 1 52 ASN -0.50 -0.01 1 54 THR -3.10 -1.22 1 55 LYS 4.76 4.16 1 56 GLU 4.95 4.00 1 58 LEU 3.23 3.18 1 59 ASP 4.37 3.27 1 60 ALA 3.25 2.57 1 61 ILE 4.94 4.31 1 62 ILE 5.55 4.29 1 63 GLU 2.76 2.79 1 65 VAL -1.41 -1.14 1 66 ASP -0.28 -0.44 1 67 GLU 0.89 2.76 1 68 ASP -0.92 -1.65 1 70 SER 0.73 1.95 1 73 ILE -2.46 -0.54 1 74 ASP -1.14 -0.90 1 75 PHE 4.99 4.00 1 76 GLU 4.12 2.52 1 77 GLU 1.49 1.48 1 78 PHE 3.15 3.64 1 79 LEU 4.37 3.06 1 80 VAL 6.78 5.08 1 81 MET 3.46 4.03 1 82 MET 1.23 0.83 1 83 VAL 6.42 5.05 1 84 ARG 2.84 2.06 1 86 MET 6.79 4.00 1 87 LYS 1.75 1.84 1 88 GLU 0.42 0.82 1 89 ASP 0.03 0.44 1 90 ALA 0.59 1.66 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4401_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 3.81 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.91 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -1.49 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 THR -7.53 4.02 0 30 ASP 0.41 -2.24 0 10 ALA 3.75 -0.72 1 11 ARG 4.11 -0.42 1 12 ALA 1.90 -0.62 1 13 PHE 0.14 1.46 1 14 LEU -4.24 2.87 1 15 SER -3.77 1.89 1 16 GLU 3.99 -0.40 1 17 GLU 4.20 -0.67 1 19 ILE 6.87 -0.91 1 20 ALA 4.02 -1.18 1 21 GLU 2.49 -0.81 1 22 PHE 4.67 -1.81 1 23 LYS 4.21 -1.85 1 24 ALA 3.92 -1.35 1 25 ALA 2.01 -0.64 1 26 PHE 4.56 0.23 1 27 ASP 4.07 -1.07 1 31 ALA 2.22 0.34 1 32 ASP -0.15 -1.15 1 36 ASP -1.74 0.26 1 37 ILE -2.11 1.19 1 38 SER -5.08 2.82 1 39 THR 6.83 -1.37 1 40 LYS 1.31 2.04 1 41 GLU 2.49 -0.06 1 42 LEU 2.69 0.24 1 44 THR 6.11 -0.69 1 45 VAL 5.77 -1.35 1 47 ARG 4.08 -0.90 1 48 MET 3.97 -0.39 1 49 LEU 0.32 -0.64 1 51 GLN -3.10 1.56 1 52 ASN -0.50 0.49 1 54 THR -3.10 1.88 1 55 LYS 4.76 -0.60 1 56 GLU 4.95 -0.95 1 58 LEU 3.23 -0.05 1 59 ASP 4.37 -1.10 1 60 ALA 3.25 -0.68 1 61 ILE 4.94 -0.63 1 62 ILE 5.55 -1.26 1 63 GLU 2.76 0.03 1 65 VAL -1.41 0.27 1 66 ASP -0.28 -0.16 1 67 GLU 0.89 1.87 1 68 ASP -0.92 -0.73 1 70 SER 0.73 1.22 1 73 ILE -2.46 1.92 1 74 ASP -1.14 0.24 1 75 PHE 4.99 -0.99 1 76 GLU 4.12 -1.60 1 77 GLU 1.49 -0.01 1 78 PHE 3.15 0.49 1 79 LEU 4.37 -1.31 1 80 VAL 6.78 -1.70 1 81 MET 3.46 0.57 1 82 MET 1.23 -0.40 1 83 VAL 6.42 -1.37 1 84 ARG 2.84 -0.78 1 86 MET 6.79 -2.79 1 87 LYS 1.75 0.09 1 88 GLU 0.42 0.40 1 89 ASP 0.03 0.41 1 90 ALA 0.59 1.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4401_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 0.55 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _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 72 THR -7.53 0.56 0 26 PHE 4.56 -1.40 0 10 ALA 3.75 -0.20 1 11 ARG 4.11 -0.48 1 12 ALA 1.90 -0.09 1 13 PHE 0.14 -0.18 1 14 LEU -4.24 0.22 1 15 SER -3.77 0.15 1 16 GLU 3.99 -0.33 1 17 GLU 4.20 -0.23 1 19 ILE 6.87 -0.42 1 20 ALA 4.02 -0.07 1 21 GLU 2.49 -0.19 1 22 PHE 4.67 0.39 1 23 LYS 4.21 -0.33 1 24 ALA 3.92 -0.07 1 25 ALA 2.01 -0.23 1 27 ASP 4.07 -0.42 1 30 ASP 0.41 -0.13 1 31 ALA 2.22 -0.23 1 32 ASP -0.15 -0.01 1 36 ASP -1.74 0.50 1 37 ILE -2.11 0.78 1 38 SER -5.08 0.37 1 39 THR 6.83 -0.52 1 40 LYS 1.31 -0.18 1 41 GLU 2.49 -0.22 1 42 LEU 2.69 -0.33 1 44 THR 6.11 -0.43 1 45 VAL 5.77 -0.54 1 47 ARG 4.08 0.38 1 48 MET 3.97 -0.23 1 49 LEU 0.32 0.05 1 51 GLN -3.10 0.17 1 52 ASN -0.50 0.11 1 54 THR -3.10 0.11 1 55 LYS 4.76 -0.42 1 56 GLU 4.95 -0.24 1 58 LEU 3.23 -0.34 1 59 ASP 4.37 -0.32 1 60 ALA 3.25 -0.15 1 61 ILE 4.94 -0.50 1 62 ILE 5.55 -0.75 1 63 GLU 2.76 -0.35 1 65 VAL -1.41 0.48 1 66 ASP -0.28 0.07 1 67 GLU 0.89 -0.12 1 68 ASP -0.92 0.12 1 70 SER 0.73 -0.24 1 73 ILE -2.46 0.92 1 74 ASP -1.14 0.64 1 75 PHE 4.99 -1.15 1 76 GLU 4.12 -0.56 1 77 GLU 1.49 -0.20 1 78 PHE 3.15 -0.62 1 79 LEU 4.37 -0.90 1 80 VAL 6.78 -0.85 1 81 MET 3.46 -0.79 1 82 MET 1.23 -0.40 1 83 VAL 6.42 -0.47 1 84 ARG 2.84 -0.31 1 86 MET 6.79 -0.47 1 87 LYS 1.75 -0.16 1 88 GLU 0.42 -0.12 1 89 ASP 0.03 0.01 1 90 ALA 0.59 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4401_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.53 _LACS_plot.Line_1_terminator_val_y_1 -1.64 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 2.61 _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 90 ALA 0.59 -7.26 0 10 ALA 3.75 1.33 1 11 ARG 4.11 1.73 1 12 ALA 1.90 0.78 1 13 PHE 0.14 -0.18 1 14 LEU -4.24 -1.62 1 15 SER -3.77 0.72 1 16 GLU 3.99 3.04 1 17 GLU 4.20 2.55 1 19 ILE 6.87 1.23 1 20 ALA 4.02 2.46 1 21 GLU 2.49 2.22 1 22 PHE 4.67 2.85 1 23 LYS 4.21 0.62 1 26 PHE 4.56 0.91 1 27 ASP 4.07 1.62 1 30 ASP 0.41 0.34 1 31 ALA 2.22 1.30 1 32 ASP -0.15 1.49 1 36 ASP -1.74 -3.13 1 37 ILE -2.11 -0.59 1 38 SER -5.08 1.16 1 39 THR 6.83 2.36 1 40 LYS 1.31 3.43 1 41 GLU 2.49 3.14 1 42 LEU 2.69 1.17 1 44 THR 6.11 1.84 1 45 VAL 5.77 1.28 1 47 ARG 4.08 4.90 1 48 MET 3.97 2.34 1 49 LEU 0.32 -0.30 1 51 GLN -3.10 -1.78 1 52 ASN -0.50 -1.44 1 54 THR -3.10 0.58 1 55 LYS 4.76 1.74 1 56 GLU 4.95 3.49 1 58 LEU 3.23 0.96 1 59 ASP 4.37 2.70 1 60 ALA 3.25 2.47 1 61 ILE 4.94 1.89 1 62 ILE 5.55 1.36 1 63 GLU 2.76 1.69 1 65 VAL -1.41 -0.45 1 66 ASP -0.28 1.01 1 67 GLU 0.89 0.36 1 68 ASP -0.92 1.39 1 70 SER 0.73 1.65 1 72 THR -7.53 -1.08 1 73 ILE -2.46 -0.09 1 74 ASP -1.14 -0.46 1 75 PHE 4.99 0.67 1 76 GLU 4.12 3.70 1 77 GLU 1.49 2.20 1 78 PHE 3.15 1.51 1 79 LEU 4.37 1.55 1 80 VAL 6.78 1.88 1 81 MET 3.46 2.01 1 82 MET 1.23 2.86 1 83 VAL 6.42 1.87 1 84 ARG 2.84 2.41 1 86 MET 6.79 3.07 1 87 LYS 1.75 0.72 1 88 GLU 0.42 -0.01 1 89 ASP 0.03 -1.28 1 stop_ save_