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 bmr16413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 -3.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 6.47 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 PHE -1.26 -2.84 0 10 THR 0.01 0.17 1 11 SER -0.27 -0.06 1 12 VAL -0.34 -0.28 1 13 ALA -0.35 -0.13 1 17 GLU -0.13 0.22 1 18 GLU -0.82 -0.22 1 19 VAL -0.82 -0.56 1 20 GLU -0.37 0.35 1 23 SER 2.28 1.96 1 25 VAL 0.59 -0.10 1 26 ARG -3.22 -1.49 1 27 ILE -3.88 -1.96 1 28 VAL -3.52 -1.69 1 29 VAL -1.27 -1.78 1 30 GLU -5.36 -3.30 1 31 TYR -8.66 -3.50 1 33 GLU 8.65 7.03 1 38 GLU 4.16 4.25 1 39 ALA 4.50 3.38 1 40 THR 6.35 4.68 1 41 TYR 5.54 3.89 1 42 LEU 3.83 2.87 1 43 GLU 2.71 2.71 1 44 LEU 3.16 2.91 1 45 ALA 4.61 2.96 1 46 SER 4.20 3.41 1 47 ALA 3.50 2.60 1 48 VAL 5.76 4.26 1 49 LYS 2.92 2.33 1 50 GLU 2.60 2.38 1 51 GLN 0.43 1.03 1 52 TYR -1.40 -0.34 1 55 ILE -0.61 0.63 1 56 GLU -3.02 -1.24 1 57 ILE -3.45 -1.35 1 58 GLU -6.34 -2.14 1 59 SER -6.10 -2.52 1 60 ARG -4.92 -1.47 1 61 LEU 1.87 0.09 1 64 THR 4.69 3.79 1 66 ALA 1.00 1.74 1 67 PHE 4.03 4.23 1 68 GLU -6.36 -3.13 1 69 ILE -1.72 -0.33 1 70 GLU -6.26 -2.72 1 71 ILE -1.50 -0.63 1 72 ASN 3.31 0.88 1 74 GLN -3.02 -1.63 1 75 LEU 2.21 1.23 1 76 VAL -1.61 -0.58 1 77 PHE -2.61 1.17 1 78 SER -4.01 -3.25 1 79 LYS 1.51 3.47 1 80 LEU 4.78 3.57 1 81 GLU 0.38 1.60 1 82 ASN 0.64 1.87 1 85 PHE -0.26 -0.26 1 87 TYR 2.15 0.97 1 88 GLU 5.15 4.52 1 89 LYS 4.45 3.42 1 90 ASP 3.24 2.94 1 91 LEU 2.86 2.07 1 92 ILE 5.55 3.46 1 93 GLU 3.24 2.07 1 94 ALA 3.85 2.92 1 95 ILE 5.32 4.35 1 96 ARG 5.69 4.23 1 97 ARG 5.07 4.33 1 98 ALA 2.91 2.34 1 99 SER 3.68 2.96 1 100 ASN -1.51 -0.26 1 102 GLU -2.22 -0.86 1 103 THR 1.80 1.61 1 104 LEU -0.91 -0.53 1 105 GLU -4.42 -2.10 1 106 LYS 1.86 1.49 1 107 ILE -0.13 0.93 1 108 THR 0.30 -0.04 1 109 ASN -0.93 -0.04 1 110 SER -2.73 -0.36 1 111 ARG -1.04 -0.81 1 115 VAL 0.09 0.21 1 116 ILE 0.08 -0.10 1 117 LEU 0.28 1.61 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 4.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.89 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -2.17 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 PHE -1.26 -1.58 0 10 THR 0.01 0.16 1 11 SER -0.27 0.21 1 12 VAL -0.34 0.06 1 13 ALA -0.35 0.22 1 17 GLU -0.13 0.35 1 18 GLU -0.82 0.60 1 19 VAL -0.82 0.26 1 20 GLU -0.37 0.72 1 23 SER 2.28 -0.32 1 25 VAL 0.59 -0.69 1 26 ARG -3.22 1.73 1 27 ILE -3.88 1.92 1 28 VAL -3.52 1.83 1 29 VAL -1.27 -0.51 1 30 GLU -5.36 2.06 1 31 TYR -8.66 5.16 1 33 GLU 8.65 -1.62 1 38 GLU 4.16 0.09 1 39 ALA 4.50 -1.12 1 40 THR 6.35 -1.67 1 41 TYR 5.54 -1.65 1 42 LEU 3.83 -0.96 1 43 GLU 2.71 0.00 1 44 LEU 3.16 -0.25 1 45 ALA 4.61 -1.65 1 46 SER 4.20 -0.79 1 47 ALA 3.50 -0.90 1 48 VAL 5.76 -1.50 1 49 LYS 2.92 -0.59 1 50 GLU 2.60 -0.22 1 51 GLN 0.43 0.60 1 52 TYR -1.40 1.06 1 55 ILE -0.61 1.24 1 56 GLU -3.02 1.78 1 57 ILE -3.45 2.10 1 58 GLU -6.34 4.20 1 59 SER -6.10 3.58 1 60 ARG -4.92 3.45 1 61 LEU 1.87 -1.78 1 64 THR 4.69 -0.90 1 66 ALA 1.00 0.74 1 67 PHE 4.03 0.20 1 68 GLU -6.36 3.23 1 69 ILE -1.72 1.39 1 70 GLU -6.26 3.54 1 71 ILE -1.50 0.87 1 72 ASN 3.31 -2.43 1 74 GLN -3.02 1.39 1 75 LEU 2.21 -0.98 1 76 VAL -1.61 1.03 1 77 PHE -2.61 3.78 1 78 SER -4.01 0.76 1 79 LYS 1.51 1.96 1 80 LEU 4.78 -1.21 1 81 GLU 0.38 1.22 1 82 ASN 0.64 1.23 1 85 PHE -0.26 0.00 1 87 TYR 2.15 -1.18 1 88 GLU 5.15 -0.63 1 89 LYS 4.45 -1.03 1 90 ASP 3.24 -0.30 1 91 LEU 2.86 -0.79 1 92 ILE 5.55 -2.09 1 93 GLU 3.24 -1.17 1 94 ALA 3.85 -0.93 1 95 ILE 5.32 -0.97 1 96 ARG 5.69 -1.46 1 97 ARG 5.07 -0.74 1 98 ALA 2.91 -0.57 1 99 SER 3.68 -0.72 1 100 ASN -1.51 1.25 1 102 GLU -2.22 1.36 1 103 THR 1.80 -0.19 1 104 LEU -0.91 0.38 1 105 GLU -4.42 2.32 1 106 LYS 1.86 -0.37 1 107 ILE -0.13 1.06 1 108 THR 0.30 -0.34 1 109 ASN -0.93 0.89 1 110 SER -2.73 2.37 1 111 ARG -1.04 0.23 1 115 VAL 0.09 0.12 1 116 ILE 0.08 -0.18 1 117 LEU 0.28 1.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 1.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -0.94 _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 33 GLU 8.65 -0.04 0 10 THR 0.01 -0.01 1 11 SER -0.27 0.00 1 12 VAL -0.34 -0.02 1 13 ALA -0.35 -0.06 1 17 GLU -0.13 -0.15 1 18 GLU -0.82 -0.05 1 19 VAL -0.82 0.03 1 20 GLU -0.37 -0.05 1 23 SER 2.28 -0.29 1 25 VAL 0.59 0.28 1 26 ARG -3.22 0.85 1 27 ILE -3.88 1.00 1 28 VAL -3.52 0.73 1 29 VAL -1.27 0.63 1 30 GLU -5.36 0.85 1 31 TYR -8.66 1.17 1 37 PHE -1.26 0.46 1 38 GLU 4.16 -0.98 1 39 ALA 4.50 -0.35 1 40 THR 6.35 -0.68 1 41 TYR 5.54 -0.37 1 42 LEU 3.83 -0.93 1 43 GLU 2.71 -0.46 1 44 LEU 3.16 -0.32 1 45 ALA 4.61 -0.69 1 46 SER 4.20 -0.48 1 47 ALA 3.50 -0.20 1 48 VAL 5.76 -0.47 1 49 LYS 2.92 -0.43 1 50 GLU 2.60 -0.46 1 51 GLN 0.43 -0.36 1 52 TYR -1.40 -0.17 1 55 ILE -0.61 0.05 1 56 GLU -3.02 0.32 1 57 ILE -3.45 1.07 1 58 GLU -6.34 0.43 1 59 SER -6.10 0.93 1 60 ARG -4.92 0.08 1 61 LEU 1.87 -0.02 1 64 THR 4.69 -0.48 1 66 ALA 1.00 -0.23 1 67 PHE 4.03 0.21 1 68 GLU -6.36 1.10 1 69 ILE -1.72 0.88 1 70 GLU -6.26 0.96 1 71 ILE -1.50 0.58 1 72 ASN 3.31 -0.34 1 74 GLN -3.02 0.18 1 75 LEU 2.21 0.06 1 76 VAL -1.61 0.42 1 77 PHE -2.61 0.07 1 78 SER -4.01 0.50 1 79 LYS 1.51 -0.20 1 80 LEU 4.78 -0.50 1 81 GLU 0.38 -0.28 1 82 ASN 0.64 -0.20 1 85 PHE -0.26 -0.41 1 87 TYR 2.15 -0.27 1 88 GLU 5.15 -0.81 1 89 LYS 4.45 -0.37 1 90 ASP 3.24 -0.08 1 91 LEU 2.86 -0.27 1 92 ILE 5.55 -0.44 1 93 GLU 3.24 0.02 1 94 ALA 3.85 -0.25 1 95 ILE 5.32 -0.92 1 96 ARG 5.69 -0.65 1 97 ARG 5.07 -0.51 1 98 ALA 2.91 -0.19 1 99 SER 3.68 -0.45 1 100 ASN -1.51 0.15 1 102 GLU -2.22 -0.02 1 103 THR 1.80 -0.35 1 104 LEU -0.91 0.04 1 105 GLU -4.42 0.12 1 106 LYS 1.86 -0.18 1 107 ILE -0.13 -0.06 1 108 THR 0.30 0.07 1 109 ASN -0.93 0.19 1 110 SER -2.73 0.27 1 111 ARG -1.04 -0.09 1 115 VAL 0.09 -0.01 1 116 ILE 0.08 -0.05 1 117 LEU 0.28 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _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 8.64 _LACS_plot.Line_2_terminator_val_y_2 3.34 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 LEU 0.28 4.52 0 67 PHE 4.03 -3.27 0 10 THR 0.01 -0.24 1 11 SER -0.27 -0.40 1 12 VAL -0.34 -0.91 1 13 ALA -0.35 -1.12 1 17 GLU -0.13 -0.12 1 18 GLU -0.82 -0.51 1 19 VAL -0.82 -0.24 1 20 GLU -0.37 -0.01 1 23 SER 2.28 1.08 1 25 VAL 0.59 -2.30 1 26 ARG -3.22 -1.33 1 27 ILE -3.88 -2.07 1 28 VAL -3.52 -0.96 1 29 VAL -1.27 -2.42 1 30 GLU -5.36 -0.95 1 31 TYR -8.66 -1.58 1 33 GLU 8.65 2.87 1 37 PHE -1.26 0.38 1 38 GLU 4.16 1.18 1 39 ALA 4.50 2.17 1 40 THR 6.35 1.87 1 41 TYR 5.54 -0.37 1 42 LEU 3.83 2.87 1 43 GLU 2.71 2.68 1 44 LEU 3.16 0.57 1 45 ALA 4.61 1.69 1 46 SER 4.20 2.08 1 47 ALA 3.50 3.31 1 48 VAL 5.76 1.44 1 49 LYS 2.92 1.30 1 50 GLU 2.60 1.17 1 51 GLN 0.43 -0.70 1 52 TYR -1.40 -2.20 1 55 ILE -0.61 -2.47 1 56 GLU -3.02 -1.99 1 57 ILE -3.45 -2.40 1 58 GLU -6.34 -2.84 1 59 SER -6.10 -0.50 1 60 ARG -4.92 -2.64 1 61 LEU 1.87 0.31 1 64 THR 4.69 1.31 1 66 ALA 1.00 0.17 1 68 GLU -6.36 -0.05 1 69 ILE -1.72 -1.94 1 70 GLU -6.26 -0.38 1 71 ILE -1.50 -1.08 1 72 ASN 3.31 0.52 1 74 GLN -3.02 -1.01 1 75 LEU 2.21 -1.24 1 76 VAL -1.61 -2.15 1 77 PHE -2.61 -3.01 1 78 SER -4.01 -0.56 1 79 LYS 1.51 3.62 1 80 LEU 4.78 1.71 1 81 GLU 0.38 1.28 1 82 ASN 0.64 1.92 1 85 PHE -0.26 -1.09 1 87 TYR 2.15 1.85 1 88 GLU 5.15 1.80 1 89 LYS 4.45 2.04 1 90 ASP 3.24 2.77 1 91 LEU 2.86 0.35 1 92 ILE 5.55 2.08 1 93 GLU 3.24 1.20 1 94 ALA 3.85 1.51 1 95 ILE 5.32 1.27 1 96 ARG 5.69 3.52 1 97 ARG 5.07 2.79 1 98 ALA 2.91 3.92 1 99 SER 3.68 -0.05 1 100 ASN -1.51 0.27 1 102 GLU -2.22 -0.53 1 103 THR 1.80 -0.25 1 104 LEU -0.91 -1.23 1 105 GLU -4.42 -1.14 1 106 LYS 1.86 0.20 1 107 ILE -0.13 0.04 1 108 THR 0.30 -0.25 1 109 ASN -0.93 -0.57 1 110 SER -2.73 -2.63 1 111 ARG -1.04 -0.52 1 115 VAL 0.09 -0.92 1 116 ILE 0.08 -1.34 1 stop_ save_