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 bmr6962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.59 _LACS_plot.Line_2_terminator_val_x_2 7.55 _LACS_plot.Line_2_terminator_val_y_2 6.17 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 ILE -6.05 -2.71 0 18 ALA 2.84 0.02 0 66 THR -6.52 -2.99 0 10 SER 5.61 4.75 1 11 ASP 4.35 3.48 1 12 ILE 4.49 3.92 1 13 VAL 6.67 5.37 1 14 LYS 5.27 4.61 1 15 GLU 2.90 2.50 1 16 LYS 2.96 1.05 1 17 LEU 0.91 -0.72 1 19 LEU -0.52 -0.56 1 21 ALA 2.31 1.95 1 22 ASP 0.76 -0.35 1 23 VAL 1.72 0.73 1 24 VAL 1.36 0.52 1 25 VAL -0.78 -0.50 1 26 THR -4.96 -2.58 1 27 ALA 2.38 2.52 1 28 ASP -0.76 -0.56 1 29 SER 3.56 2.84 1 30 GLU -4.42 -2.67 1 31 PHE 5.66 5.12 1 32 SER 4.54 2.65 1 33 LYS 2.34 1.56 1 34 LEU 0.35 0.43 1 36 ALA -1.37 -0.58 1 37 ASP -3.17 -2.12 1 38 SER -0.08 1.90 1 39 LEU 3.98 2.38 1 40 ASP 2.52 2.70 1 41 THR 7.21 5.57 1 42 VAL 5.35 4.31 1 43 GLU 2.99 2.56 1 44 ILE 6.07 5.38 1 45 VAL 7.56 6.02 1 46 MET 3.95 3.82 1 47 ASN 2.48 2.87 1 48 LEU 4.14 3.47 1 49 GLU 4.01 3.60 1 50 GLU 2.52 2.23 1 51 GLU 2.24 1.94 1 52 PHE 0.74 1.54 1 55 ASN -2.70 -0.33 1 56 VAL -1.64 -1.34 1 57 ASP -0.45 -0.26 1 58 GLU 3.40 2.78 1 59 ASP 2.89 1.88 1 60 LYS 1.07 0.41 1 61 ALA 1.57 1.11 1 62 GLN 2.01 1.46 1 63 ASP 0.32 0.06 1 64 ILE 1.62 -0.02 1 65 SER -0.05 1.42 1 67 ILE 6.13 2.93 1 68 GLN 4.26 3.72 1 69 GLN 3.14 2.78 1 70 ALA 3.53 2.88 1 71 ALA 2.48 2.63 1 72 ASP 4.91 3.76 1 73 VAL 5.76 4.28 1 74 ILE 5.70 4.47 1 75 GLU 4.71 3.78 1 77 LEU 2.40 2.11 1 78 LEU 2.15 2.00 1 79 GLU 1.38 1.26 1 80 LYS 0.55 0.17 1 81 LYS 0.47 0.39 1 82 ALA 0.54 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 3.29 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.41 _LACS_plot.Line_2_terminator_val_x_2 7.55 _LACS_plot.Line_2_terminator_val_y_2 -1.38 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 ILE -6.05 3.34 0 18 ALA 2.84 -2.82 0 66 THR -6.52 3.53 0 10 SER 5.61 -0.86 1 11 ASP 4.35 -0.87 1 12 ILE 4.49 -0.57 1 13 VAL 6.67 -1.30 1 14 LYS 5.27 -0.66 1 15 GLU 2.90 -0.40 1 16 LYS 2.96 -1.91 1 17 LEU 0.91 -1.63 1 19 LEU -0.52 -0.04 1 21 ALA 2.31 -0.36 1 22 ASP 0.76 -1.11 1 23 VAL 1.72 -0.99 1 24 VAL 1.36 -0.84 1 25 VAL -0.78 0.28 1 26 THR -4.96 2.38 1 27 ALA 2.38 0.14 1 28 ASP -0.76 0.20 1 29 SER 3.56 -0.72 1 30 GLU -4.42 1.75 1 31 PHE 5.66 -0.54 1 32 SER 4.54 -1.89 1 33 LYS 2.34 -0.78 1 34 LEU 0.35 0.08 1 36 ALA -1.37 0.79 1 37 ASP -3.17 1.05 1 38 SER -0.08 1.98 1 39 LEU 3.98 -1.60 1 40 ASP 2.52 0.18 1 41 THR 7.21 -1.64 1 42 VAL 5.35 -1.04 1 43 GLU 2.99 -0.43 1 44 ILE 6.07 -0.69 1 45 VAL 7.56 -1.54 1 46 MET 3.95 -0.13 1 47 ASN 2.48 0.39 1 48 LEU 4.14 -0.67 1 49 GLU 4.01 -0.41 1 50 GLU 2.52 -0.29 1 51 GLU 2.24 -0.30 1 52 PHE 0.74 0.80 1 55 ASN -2.70 2.37 1 56 VAL -1.64 0.30 1 57 ASP -0.45 0.19 1 58 GLU 3.40 -0.62 1 59 ASP 2.89 -1.01 1 60 LYS 1.07 -0.66 1 61 ALA 1.57 -0.46 1 62 GLN 2.01 -0.55 1 63 ASP 0.32 -0.26 1 64 ILE 1.62 -1.64 1 65 SER -0.05 1.47 1 67 ILE 6.13 -3.20 1 68 GLN 4.26 -0.54 1 69 GLN 3.14 -0.36 1 70 ALA 3.53 -0.65 1 71 ALA 2.48 0.15 1 72 ASP 4.91 -1.15 1 73 VAL 5.76 -1.48 1 74 ILE 5.70 -1.23 1 75 GLU 4.71 -0.93 1 77 LEU 2.40 -0.29 1 78 LEU 2.15 -0.15 1 79 GLU 1.38 -0.12 1 80 LYS 0.55 -0.38 1 81 LYS 0.47 -0.08 1 82 ALA 0.54 0.93 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 0.59 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 7.55 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 THR -6.52 0.99 0 10 SER 5.61 -0.61 1 11 ASP 4.35 -0.28 1 12 ILE 4.49 -0.30 1 13 VAL 6.67 -0.68 1 14 LYS 5.27 -0.56 1 15 GLU 2.90 -0.22 1 16 LYS 2.96 -0.11 1 17 LEU 0.91 0.05 1 18 ALA 2.84 -0.23 1 19 LEU -0.52 0.00 1 21 ALA 2.31 -0.26 1 22 ASP 0.76 -0.21 1 23 VAL 1.72 -0.24 1 24 VAL 1.36 -0.20 1 25 VAL -0.78 0.09 1 26 THR -4.96 0.36 1 27 ALA 2.38 -0.60 1 28 ASP -0.76 0.00 1 29 SER 3.56 -0.22 1 30 GLU -4.42 0.52 1 31 PHE 5.66 -0.79 1 32 SER 4.54 -0.11 1 33 LYS 2.34 -0.01 1 34 LEU 0.35 -0.06 1 36 ALA -1.37 0.33 1 37 ASP -3.17 0.21 1 38 SER -0.08 -0.13 1 39 LEU 3.98 -0.06 1 40 ASP 2.52 -0.18 1 41 THR 7.21 -0.81 1 42 VAL 5.35 -0.49 1 43 GLU 2.99 -0.24 1 44 ILE 6.07 -0.69 1 45 VAL 7.56 -0.75 1 46 MET 3.95 -0.11 1 47 ASN 2.48 -0.07 1 48 LEU 4.14 -0.08 1 49 GLU 4.01 -0.38 1 50 GLU 2.52 -0.22 1 51 GLU 2.24 -0.40 1 52 PHE 0.74 -0.05 1 54 ILE -6.05 0.57 1 55 ASN -2.70 0.27 1 56 VAL -1.64 -0.09 1 57 ASP -0.45 -0.07 1 58 GLU 3.40 -0.49 1 59 ASP 2.89 -0.21 1 60 LYS 1.07 -0.06 1 61 ALA 1.57 -0.28 1 62 GLN 2.01 -0.23 1 63 ASP 0.32 0.05 1 64 ILE 1.62 -0.13 1 65 SER -0.05 0.50 1 67 ILE 6.13 -0.67 1 68 GLN 4.26 -0.67 1 69 GLN 3.14 -0.11 1 70 ALA 3.53 -0.37 1 71 ALA 2.48 -0.57 1 72 ASP 4.91 -0.14 1 73 VAL 5.76 -0.41 1 74 ILE 5.70 -0.96 1 75 GLU 4.71 -0.52 1 77 LEU 2.40 -0.10 1 78 LEU 2.15 -0.25 1 79 GLU 1.38 -0.18 1 80 LYS 0.55 0.00 1 81 LYS 0.47 0.00 1 82 ALA 0.54 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 -1.61 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.18 _LACS_plot.Line_2_terminator_val_x_2 7.55 _LACS_plot.Line_2_terminator_val_y_2 2.22 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 ILE -6.05 -2.35 0 66 THR -6.52 0.51 0 10 SER 5.61 0.65 1 12 ILE 4.49 1.85 1 13 VAL 6.67 0.79 1 14 LYS 5.27 2.25 1 15 GLU 2.90 3.40 1 16 LYS 2.96 1.70 1 17 LEU 0.91 -2.57 1 18 ALA 2.84 -0.78 1 19 LEU -0.52 0.62 1 21 ALA 2.31 0.38 1 22 ASP 0.76 -0.45 1 23 VAL 1.72 -1.05 1 24 VAL 1.36 -0.97 1 25 VAL -0.78 -0.84 1 26 THR -4.96 0.24 1 27 ALA 2.38 -0.96 1 28 ASP -0.76 -0.01 1 29 SER 3.56 -2.15 1 30 GLU -4.42 0.93 1 31 PHE 5.66 2.11 1 32 SER 4.54 3.13 1 33 LYS 2.34 1.74 1 34 LEU 0.35 -1.00 1 36 ALA -1.37 -0.94 1 37 ASP -3.17 0.97 1 38 SER -0.08 1.30 1 39 LEU 3.98 1.96 1 40 ASP 2.52 1.95 1 41 THR 7.21 0.71 1 43 GLU 2.99 2.92 1 44 ILE 6.07 0.95 1 45 VAL 7.56 1.46 1 46 MET 3.95 2.89 1 47 ASN 2.48 3.93 1 48 LEU 4.14 1.21 1 49 GLU 4.01 3.12 1 50 GLU 2.52 2.30 1 51 GLU 2.24 1.24 1 52 PHE 0.74 0.12 1 55 ASN -2.70 -1.47 1 56 VAL -1.64 -1.92 1 57 ASP -0.45 0.70 1 58 GLU 3.40 0.98 1 60 LYS 1.07 1.36 1 61 ALA 1.57 -0.26 1 62 GLN 2.01 -0.06 1 63 ASP 0.32 -0.81 1 64 ILE 1.62 -1.26 1 65 SER -0.05 1.56 1 67 ILE 6.13 1.50 1 68 GLN 4.26 0.96 1 69 GLN 3.14 3.61 1 70 ALA 3.53 0.29 1 71 ALA 2.48 0.48 1 72 ASP 4.91 3.61 1 73 VAL 5.76 3.01 1 74 ILE 5.70 0.92 1 75 GLU 4.71 3.43 1 77 LEU 2.40 2.72 1 78 LEU 2.15 1.75 1 79 GLU 1.38 0.66 1 81 LYS 0.47 -1.16 1 stop_ save_