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 bmr6913_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.14 _LACS_plot.Line_1_terminator_val_y_1 -5.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.65 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 4.14 _LACS_plot.Y_axis_chem_shift_offset 2.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 TRP -3.39 -6.13 0 38 ALA 8.59 4.58 0 61 VAL 0.45 -4.49 0 60 GLU -1.85 0.16 0 54 TYR -7.19 -3.88 0 27 PHE -9.14 -6.74 0 103 ASN 4.32 -2.58 0 10 GLU 2.57 0.50 1 11 TYR 4.60 1.44 1 12 ASP 4.62 1.25 1 13 SER 3.36 0.36 1 14 ALA 4.30 -0.18 1 15 LEU 3.24 0.31 1 16 ALA -0.48 -2.73 1 17 SER -0.10 -1.89 1 19 ASP -1.32 -3.33 1 20 LYS -2.61 -4.37 1 21 LEU 0.35 -1.41 1 22 VAL -2.33 -2.84 1 23 VAL -2.20 -3.75 1 24 VAL -1.23 -2.76 1 25 ASP -0.95 -3.28 1 26 PHE 0.32 -1.49 1 28 ALA -4.85 -3.73 1 29 THR 4.34 1.25 1 35 LYS 4.29 1.19 1 36 MET 2.98 0.21 1 37 ILE -0.69 -2.75 1 40 MET 2.64 -0.01 1 41 ILE 5.62 0.38 1 42 GLU 4.05 1.00 1 43 LYS 4.18 0.09 1 44 PHE 2.31 -1.78 1 45 ALA 2.75 -0.44 1 46 GLU 1.22 -0.86 1 47 GLN 1.97 0.01 1 48 TYR 2.44 -2.87 1 49 SER 2.66 -0.27 1 50 ASP 0.84 -1.72 1 51 ALA -5.34 -4.83 1 52 ALA -4.07 -3.93 1 53 PHE -2.10 -2.75 1 55 LYS -3.69 -3.38 1 56 LEU -2.62 -1.30 1 57 ASP -0.87 -3.59 1 58 VAL 4.06 -0.21 1 59 ASP 2.36 -0.08 1 62 SER 3.12 0.53 1 63 ASP 4.51 0.06 1 64 VAL 4.66 0.95 1 65 ALA 4.18 1.05 1 66 GLN 4.09 0.66 1 67 LYS 3.75 0.75 1 68 ALA 0.72 -2.32 1 69 GLU 3.94 -1.32 1 70 VAL 2.39 -1.56 1 71 SER 0.31 -0.76 1 72 SER 2.19 -0.80 1 75 THR -1.10 -0.30 1 76 LEU -2.00 -2.32 1 77 ILE 2.44 -0.16 1 78 PHE -0.85 -2.87 1 79 TYR -5.33 -3.27 1 80 LYS -2.36 -1.90 1 83 LYS -4.42 -4.32 1 84 GLU 0.74 -1.91 1 85 VAL 0.18 -1.62 1 86 THR 3.75 -0.82 1 87 ARG -5.55 -3.86 1 88 VAL -2.32 -2.39 1 89 VAL -0.30 -2.72 1 91 ALA 3.86 0.72 1 92 ASN -0.90 -2.80 1 94 ALA 2.80 -0.37 1 95 ALA 1.70 -0.41 1 96 ILE 5.16 2.86 1 97 LYS 4.46 1.37 1 98 GLN 4.26 0.70 1 99 ALA 3.69 0.08 1 100 ILE 4.37 1.99 1 101 ALA 3.64 0.66 1 102 SER 0.65 -1.47 1 104 VAL 2.42 -0.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6913_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.14 _LACS_plot.Line_1_terminator_val_y_1 3.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.65 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 -4.45 _LACS_plot.Y_axis_chem_shift_offset 2.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 TRP -3.39 -2.74 0 38 ALA 8.59 -4.01 0 61 VAL 0.45 -4.94 0 60 GLU -1.85 2.01 0 54 TYR -7.19 3.31 0 27 PHE -9.14 2.40 0 103 ASN 4.32 -6.90 0 10 GLU 2.57 -2.07 1 11 TYR 4.60 -3.16 1 12 ASP 4.62 -3.37 1 13 SER 3.36 -3.00 1 14 ALA 4.30 -4.48 1 15 LEU 3.24 -2.93 1 16 ALA -0.48 -2.25 1 17 SER -0.10 -1.79 1 19 ASP -1.32 -2.01 1 20 LYS -2.61 -1.76 1 21 LEU 0.35 -1.76 1 22 VAL -2.33 -0.51 1 23 VAL -2.20 -1.55 1 24 VAL -1.23 -1.53 1 25 ASP -0.95 -2.33 1 26 PHE 0.32 -1.81 1 28 ALA -4.85 1.12 1 29 THR 4.34 -3.09 1 35 LYS 4.29 -3.10 1 36 MET 2.98 -2.77 1 37 ILE -0.69 -2.06 1 40 MET 2.64 -2.65 1 41 ILE 5.62 -5.24 1 42 GLU 4.05 -3.05 1 43 LYS 4.18 -4.09 1 44 PHE 2.31 -4.09 1 45 ALA 2.75 -3.19 1 46 GLU 1.22 -2.08 1 47 GLN 1.97 -1.96 1 48 TYR 2.44 -5.31 1 49 SER 2.66 -2.93 1 50 ASP 0.84 -2.56 1 51 ALA -5.34 0.51 1 52 ALA -4.07 0.14 1 53 PHE -2.10 -0.65 1 55 LYS -3.69 0.31 1 56 LEU -2.62 1.32 1 57 ASP -0.87 -2.72 1 58 VAL 4.06 -4.27 1 59 ASP 2.36 -2.44 1 62 SER 3.12 -2.59 1 63 ASP 4.51 -4.45 1 64 VAL 4.66 -3.71 1 65 ALA 4.18 -3.13 1 66 GLN 4.09 -3.43 1 67 LYS 3.75 -3.00 1 68 ALA 0.72 -3.04 1 69 GLU 3.94 -5.26 1 70 VAL 2.39 -3.95 1 71 SER 0.31 -1.07 1 72 SER 2.19 -2.99 1 75 THR -1.10 0.80 1 76 LEU -2.00 -0.32 1 77 ILE 2.44 -2.60 1 78 PHE -0.85 -2.02 1 79 TYR -5.33 2.06 1 80 LYS -2.36 0.46 1 83 LYS -4.42 0.10 1 84 GLU 0.74 -2.65 1 85 VAL 0.18 -1.80 1 86 THR 3.75 -4.57 1 87 ARG -5.55 1.69 1 88 VAL -2.32 -0.07 1 89 VAL -0.30 -2.42 1 91 ALA 3.86 -3.14 1 92 ASN -0.90 -1.90 1 94 ALA 2.80 -3.17 1 95 ALA 1.70 -2.11 1 96 ILE 5.16 -2.30 1 97 LYS 4.46 -3.09 1 98 GLN 4.26 -3.56 1 99 ALA 3.69 -3.61 1 100 ILE 4.37 -2.38 1 101 ALA 3.64 -2.98 1 102 SER 0.65 -2.12 1 104 VAL 2.42 -2.72 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6913_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.14 _LACS_plot.Line_1_terminator_val_y_1 1.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 -0.95 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 PHE -9.14 0.78 0 57 ASP -0.87 -1.01 0 10 GLU 2.57 -0.34 1 11 TYR 4.60 -0.63 1 12 ASP 4.62 -0.66 1 13 SER 3.36 -0.38 1 14 ALA 4.30 -0.53 1 15 LEU 3.24 -0.79 1 16 ALA -0.48 0.12 1 17 SER -0.10 -0.04 1 19 ASP -1.32 0.07 1 20 LYS -2.61 0.18 1 21 LEU 0.35 0.20 1 22 VAL -2.33 0.68 1 23 VAL -2.20 0.39 1 24 VAL -1.23 0.42 1 25 ASP -0.95 0.41 1 26 PHE 0.32 0.57 1 28 ALA -4.85 0.27 1 29 THR 4.34 -0.30 1 30 TRP -3.39 0.00 1 35 LYS 4.29 0.08 1 36 MET 2.98 -0.25 1 37 ILE -0.69 0.26 1 38 ALA 8.59 -0.53 1 40 MET 2.64 -0.58 1 41 ILE 5.62 -0.60 1 42 GLU 4.05 -0.72 1 43 LYS 4.18 -0.28 1 44 PHE 2.31 0.11 1 45 ALA 2.75 -0.78 1 46 GLU 1.22 -0.32 1 47 GLN 1.97 -0.32 1 48 TYR 2.44 0.39 1 49 SER 2.66 0.05 1 50 ASP 0.84 0.19 1 51 ALA -5.34 0.74 1 52 ALA -4.07 0.54 1 53 PHE -2.10 0.50 1 54 TYR -7.19 1.16 1 55 LYS -3.69 1.25 1 56 LEU -2.62 0.11 1 58 VAL 4.06 -0.55 1 59 ASP 2.36 0.18 1 60 GLU -1.85 -0.01 1 61 VAL 0.45 0.37 1 62 SER 3.12 -0.17 1 63 ASP 4.51 -0.27 1 64 VAL 4.66 -0.64 1 65 ALA 4.18 -0.47 1 66 GLN 4.09 -0.19 1 67 LYS 3.75 -0.24 1 68 ALA 0.72 0.02 1 69 GLU 3.94 -0.56 1 70 VAL 2.39 -0.20 1 71 SER 0.31 0.07 1 72 SER 2.19 0.07 1 75 THR -1.10 0.85 1 76 LEU -2.00 1.31 1 77 ILE 2.44 0.26 1 78 PHE -0.85 0.36 1 79 TYR -5.33 0.90 1 80 LYS -2.36 0.36 1 83 LYS -4.42 0.50 1 84 GLU 0.74 -0.29 1 85 VAL 0.18 0.24 1 86 THR 3.75 0.36 1 87 ARG -5.55 1.31 1 88 VAL -2.32 0.26 1 89 VAL -0.30 0.48 1 91 ALA 3.86 -0.64 1 92 ASN -0.90 0.16 1 94 ALA 2.80 -0.15 1 95 ALA 1.70 -0.18 1 96 ILE 5.16 -0.60 1 97 LYS 4.46 -1.06 1 98 GLN 4.26 -0.36 1 99 ALA 3.69 -0.67 1 100 ILE 4.37 -0.84 1 101 ALA 3.64 -0.53 1 102 SER 0.65 -0.14 1 103 ASN 4.32 0.27 1 104 VAL 2.42 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6913_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.14 _LACS_plot.Line_1_terminator_val_y_1 -5.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.21 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 0.86 _LACS_plot.Y_axis_chem_shift_offset 2.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 PHE -9.14 -3.14 0 10 GLU 2.57 -1.10 1 11 TYR 4.60 1.18 1 12 ASP 4.62 -2.51 1 13 SER 3.36 3.11 1 14 ALA 4.30 -3.41 1 15 LEU 3.24 -0.30 1 16 ALA -0.48 -2.88 1 17 SER -0.10 0.76 1 19 ASP -1.32 -3.75 1 20 LYS -2.61 -2.04 1 21 LEU 0.35 -5.08 1 22 VAL -2.33 -4.55 1 23 VAL -2.20 -4.33 1 24 VAL -1.23 -3.43 1 25 ASP -0.95 -4.81 1 26 PHE 0.32 -3.15 1 28 ALA -4.85 -9.04 1 29 THR 4.34 2.58 1 30 TRP -3.39 -3.48 1 35 LYS 4.29 -5.84 1 36 MET 2.98 0.35 1 37 ILE -0.69 -0.66 1 38 ALA 8.59 -1.28 1 40 MET 2.64 0.68 1 41 ILE 5.62 -1.10 1 42 GLU 4.05 -4.68 1 43 LYS 4.18 -0.38 1 44 PHE 2.31 2.00 1 45 ALA 2.75 -3.26 1 46 GLU 1.22 0.83 1 47 GLN 1.97 -0.53 1 48 TYR 2.44 -1.30 1 49 SER 2.66 1.11 1 50 ASP 0.84 -4.91 1 51 ALA -5.34 -5.29 1 52 ALA -4.07 -5.34 1 53 PHE -2.10 -3.19 1 55 LYS -3.69 -4.06 1 56 LEU -2.62 -6.35 1 58 VAL 4.06 -0.60 1 59 ASP 2.36 -1.90 1 60 GLU -1.85 -1.34 1 61 VAL 0.45 -1.57 1 62 SER 3.12 -0.45 1 63 ASP 4.51 -1.79 1 64 VAL 4.66 0.92 1 65 ALA 4.18 -2.91 1 66 GLN 4.09 0.08 1 67 LYS 3.75 1.46 1 68 ALA 0.72 -2.12 1 69 GLU 3.94 -3.58 1 70 VAL 2.39 -1.02 1 71 SER 0.31 1.25 1 72 SER 2.19 1.23 1 75 THR -1.10 -0.08 1 76 LEU -2.00 -8.43 1 77 ILE 2.44 -3.36 1 78 PHE -0.85 -5.73 1 79 TYR -5.33 -3.97 1 80 LYS -2.36 -3.98 1 83 LYS -4.42 -2.06 1 84 GLU 0.74 -3.82 1 85 VAL 0.18 -1.32 1 86 THR 3.75 -0.54 1 87 ARG -5.55 -1.29 1 88 VAL -2.32 -4.36 1 89 VAL -0.30 -4.42 1 92 ASN -0.90 -0.80 1 95 ALA 1.70 0.38 1 96 ILE 5.16 2.41 1 97 LYS 4.46 -2.41 1 98 GLN 4.26 1.00 1 99 ALA 3.69 -1.96 1 100 ILE 4.37 -2.96 1 101 ALA 3.64 -5.01 1 102 SER 0.65 3.59 1 103 ASN 4.32 -0.15 1 104 VAL 2.42 -5.21 1 stop_ save_