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 bmr19968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.76 _LACS_plot.Line_1_terminator_val_y_1 -3.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 7.21 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 TYR -6.41 -0.82 0 28 TYR -6.19 -0.47 0 92 LYS 6.27 2.09 0 49 HIS 4.21 5.88 0 10 GLU -0.75 0.97 1 11 VAL 2.92 3.22 1 13 GLN 6.28 2.65 1 14 GLN -3.31 -1.35 1 17 GLU 1.44 0.03 1 18 ILE -3.76 -1.73 1 19 ILE -1.96 -1.33 1 20 LEU -0.10 -1.17 1 22 ASP 2.25 3.88 1 23 THR -0.33 -0.51 1 26 ARG 1.48 2.37 1 27 ALA -7.76 -2.38 1 29 HIS 0.47 2.86 1 30 MET 5.27 5.08 1 31 VAL 3.35 2.00 1 33 LEU 0.48 1.31 1 34 ASP -1.55 0.01 1 36 ASP -0.15 0.10 1 37 MET 1.29 1.67 1 38 GLU -1.30 0.44 1 39 LYS -2.94 -1.34 1 40 ALA 1.12 0.29 1 42 GLU -1.30 -0.27 1 44 LYS 0.49 0.07 1 45 TRP 0.19 1.59 1 46 SER -2.70 -1.29 1 51 GLU 2.40 2.62 1 52 LYS 2.05 2.17 1 53 GLU -0.55 -0.08 1 55 ILE 0.54 0.63 1 56 GLN -0.07 0.49 1 57 TRP -0.76 -0.83 1 58 GLU -1.43 -0.43 1 59 ALA -0.32 -0.25 1 61 GLU -0.80 -0.11 1 62 ASP -0.17 0.17 1 63 ASN 0.11 0.33 1 64 SER 0.61 0.67 1 65 GLU -0.17 0.34 1 67 GLU -1.13 -0.17 1 68 GLU -0.82 -0.05 1 69 ILE -0.03 -0.26 1 70 LEU -0.35 -0.17 1 71 GLU -1.06 -0.18 1 72 GLU -0.86 -0.14 1 73 VAL 0.13 0.20 1 76 ASP 0.25 0.40 1 78 GLU -3.56 -0.09 1 79 GLU -0.78 -0.09 1 82 ASP -0.12 0.08 1 83 HIS -0.16 1.00 1 84 HIS 1.03 2.29 1 85 MET 0.11 0.66 1 86 GLU -0.21 -0.35 1 87 PHE -4.90 -3.13 1 89 ARG 2.49 2.58 1 90 VAL 2.93 3.32 1 93 ASP -3.26 -0.88 1 96 GLU 0.72 0.08 1 97 LEU -3.47 -1.46 1 98 LEU -2.36 -1.28 1 101 ASP 1.80 3.71 1 102 THR 0.13 0.32 1 105 SER 1.72 3.08 1 106 SER -3.94 -1.46 1 108 HIS 0.49 2.68 1 109 ILE 7.20 4.84 1 110 HIS 0.46 1.62 1 112 LEU -2.40 -0.36 1 113 ASN -3.89 -1.56 1 116 LEU -2.62 -1.34 1 118 GLU -5.45 -2.73 1 119 ILE 1.63 1.06 1 121 ASN -0.51 0.00 1 123 GLU 0.04 0.80 1 124 TRP 1.55 2.48 1 125 LEU -4.79 -2.87 1 128 ARG 2.34 2.34 1 130 THR 1.51 1.16 1 133 ALA 0.03 0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.76 _LACS_plot.Line_1_terminator_val_y_1 3.99 _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 0.50 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 0.02 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 TYR -6.41 5.59 0 28 TYR -6.19 5.72 0 92 LYS 6.27 -4.18 0 49 HIS 4.21 1.67 0 10 GLU -0.75 1.72 1 11 VAL 2.92 0.30 1 13 GLN 6.28 -3.63 1 14 GLN -3.31 1.96 1 17 GLU 1.44 -1.41 1 18 ILE -3.76 2.03 1 19 ILE -1.96 0.63 1 20 LEU -0.10 -1.07 1 22 ASP 2.25 1.63 1 23 THR -0.33 -0.18 1 26 ARG 1.48 0.89 1 27 ALA -7.76 5.38 1 29 HIS 0.47 2.39 1 30 MET 5.27 -0.19 1 31 VAL 3.35 -1.35 1 33 LEU 0.48 0.83 1 34 ASP -1.55 1.56 1 36 ASP -0.15 0.25 1 37 MET 1.29 0.38 1 38 GLU -1.30 1.74 1 39 LYS -2.94 1.60 1 40 ALA 1.12 -0.83 1 42 GLU -1.30 1.03 1 44 LYS 0.49 -0.42 1 45 TRP 0.19 1.40 1 46 SER -2.70 1.41 1 51 GLU 2.40 0.22 1 52 LYS 2.05 0.12 1 53 GLU -0.55 0.47 1 55 ILE 0.54 0.09 1 56 GLN -0.07 0.56 1 57 TRP -0.76 -0.07 1 58 GLU -1.43 1.00 1 59 ALA -0.32 0.07 1 61 GLU -0.80 0.69 1 62 ASP -0.17 0.34 1 63 ASN 0.11 0.22 1 64 SER 0.61 0.06 1 65 GLU -0.17 0.51 1 67 GLU -1.13 0.96 1 68 GLU -0.82 0.77 1 69 ILE -0.03 -0.23 1 70 LEU -0.35 0.18 1 71 GLU -1.06 0.88 1 72 GLU -0.86 0.72 1 73 VAL 0.13 0.07 1 76 ASP 0.25 0.15 1 78 GLU -3.56 3.47 1 79 GLU -0.78 0.69 1 82 ASP -0.12 0.20 1 83 HIS -0.16 1.16 1 84 HIS 1.03 1.26 1 85 MET 0.11 0.55 1 86 GLU -0.21 -0.14 1 87 PHE -4.90 1.77 1 89 ARG 2.49 0.09 1 90 VAL 2.93 0.39 1 93 ASP -3.26 2.38 1 96 GLU 0.72 -0.64 1 97 LEU -3.47 2.01 1 98 LEU -2.36 1.08 1 101 ASP 1.80 1.91 1 102 THR 0.13 0.19 1 105 SER 1.72 1.36 1 106 SER -3.94 2.48 1 108 HIS 0.49 2.19 1 109 ILE 7.20 -2.36 1 110 HIS 0.46 1.16 1 112 LEU -2.40 2.04 1 113 ASN -3.89 2.33 1 116 LEU -2.62 1.28 1 118 GLU -5.45 2.72 1 119 ILE 1.63 -0.57 1 121 ASN -0.51 0.51 1 123 GLU 0.04 0.76 1 124 TRP 1.55 0.93 1 125 LEU -4.79 1.92 1 128 ARG 2.34 0.00 1 130 THR 1.51 -0.35 1 133 ALA 0.03 0.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.76 _LACS_plot.Line_1_terminator_val_y_1 0.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.36 _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 27 ALA -7.76 1.27 0 106 SER -3.94 1.26 0 10 GLU -0.75 -0.23 1 11 VAL 2.92 -0.12 1 13 GLN 6.28 -0.26 1 14 GLN -3.31 0.52 1 17 GLU 1.44 -0.01 1 18 ILE -3.76 0.48 1 19 ILE -1.96 0.17 1 20 LEU -0.10 0.33 1 22 ASP 2.25 0.48 1 23 THR -0.33 0.21 1 26 ARG 1.48 -0.56 1 28 TYR -6.19 0.94 1 29 HIS 0.47 0.24 1 30 MET 5.27 -0.49 1 31 VAL 3.35 -0.07 1 33 LEU 0.48 -0.02 1 34 ASP -1.55 -0.14 1 36 ASP -0.15 0.09 1 37 MET 1.29 -0.32 1 38 GLU -1.30 -0.09 1 39 LYS -2.94 0.05 1 40 ALA 1.12 -0.34 1 42 GLU -1.30 0.02 1 44 LYS 0.49 0.12 1 45 TRP 0.19 0.02 1 46 SER -2.70 0.63 1 49 HIS 4.21 -0.59 1 51 GLU 2.40 -0.49 1 52 LYS 2.05 -0.22 1 53 GLU -0.55 -0.11 1 55 ILE 0.54 0.09 1 56 GLN -0.07 0.05 1 57 TRP -0.76 -0.02 1 58 GLU -1.43 -0.17 1 59 ALA -0.32 -0.02 1 61 GLU -0.80 -0.06 1 62 ASP -0.17 -0.03 1 63 ASN 0.11 -0.12 1 64 SER 0.61 -0.05 1 65 GLU -0.17 -0.03 1 67 GLU -1.13 -0.04 1 68 GLU -0.82 -0.08 1 69 ILE -0.03 -0.03 1 70 LEU -0.35 0.07 1 71 GLU -1.06 -0.08 1 72 GLU -0.86 -0.05 1 73 VAL 0.13 0.04 1 76 ASP 0.25 -0.04 1 78 GLU -3.56 -0.12 1 79 GLU -0.78 -0.07 1 82 ASP -0.12 -0.10 1 83 HIS -0.16 -0.12 1 85 MET 0.11 -0.25 1 86 GLU -0.21 -0.23 1 87 PHE -4.90 -0.15 1 89 ARG 2.49 -0.42 1 90 VAL 2.93 -0.13 1 92 LYS 6.27 -0.16 1 93 ASP -3.26 0.64 1 96 GLU 0.72 -0.16 1 97 LEU -3.47 0.01 1 98 LEU -2.36 0.01 1 101 ASP 1.80 0.21 1 102 THR 0.13 0.27 1 105 SER 1.72 -0.08 1 107 TYR -6.41 0.98 1 108 HIS 0.49 0.12 1 109 ILE 7.20 -0.32 1 110 HIS 0.46 0.05 1 112 LEU -2.40 -0.18 1 113 ASN -3.89 -0.07 1 116 LEU -2.62 0.14 1 118 GLU -5.45 0.04 1 119 ILE 1.63 -0.52 1 121 ASN -0.51 0.04 1 123 GLU 0.04 0.00 1 124 TRP 1.55 -0.14 1 125 LEU -4.79 0.55 1 128 ARG 2.34 -0.20 1 130 THR 1.51 -0.36 1 133 ALA 0.03 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.76 _LACS_plot.Line_1_terminator_val_y_1 -3.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 0.91 _LACS_plot.Y_axis_chem_shift_offset 1.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 LYS 6.27 -2.96 0 108 HIS 0.49 4.12 0 10 GLU -0.75 -0.70 1 11 VAL 2.92 0.35 1 13 GLN 6.28 -2.29 1 14 GLN -3.31 -0.32 1 17 GLU 1.44 -2.02 1 18 ILE -3.76 -2.19 1 19 ILE -1.96 -1.97 1 20 LEU -0.10 -1.72 1 22 ASP 2.25 0.83 1 23 THR -0.33 -2.86 1 26 ARG 1.48 -3.72 1 27 ALA -7.76 -2.97 1 28 TYR -6.19 0.12 1 29 HIS 0.47 2.50 1 30 MET 5.27 1.36 1 31 VAL 3.35 -0.20 1 33 LEU 0.48 -1.03 1 34 ASP -1.55 -1.38 1 36 ASP -0.15 -0.84 1 37 MET 1.29 -1.42 1 38 GLU -1.30 -1.57 1 39 LYS -2.94 -2.97 1 40 ALA 1.12 -1.26 1 44 LYS 0.49 -0.78 1 45 TRP 0.19 -3.44 1 46 SER -2.70 -2.84 1 49 HIS 4.21 2.59 1 51 GLU 2.40 0.93 1 52 LYS 2.05 0.61 1 53 GLU -0.55 -0.18 1 55 ILE 0.54 -1.40 1 56 GLN -0.07 -0.88 1 57 TRP -0.76 -1.98 1 58 GLU -1.43 -1.41 1 59 ALA -0.32 -1.80 1 61 GLU -0.80 -1.31 1 62 ASP -0.17 -1.12 1 63 ASN 0.11 -0.49 1 64 SER 0.61 -0.57 1 65 GLU -0.17 -0.40 1 67 GLU -1.13 -0.99 1 68 GLU -0.82 -1.32 1 69 ILE -0.03 -1.19 1 70 LEU -0.35 -1.38 1 71 GLU -1.06 -1.25 1 73 VAL 0.13 -0.34 1 78 GLU -3.56 -0.66 1 84 HIS 1.03 2.40 1 85 MET 0.11 -0.36 1 86 GLU -0.21 -3.34 1 87 PHE -4.90 -4.52 1 89 ARG 2.49 -0.33 1 90 VAL 2.93 0.01 1 93 ASP -3.26 0.16 1 96 GLU 0.72 -2.35 1 97 LEU -3.47 -2.93 1 98 LEU -2.36 -2.91 1 101 ASP 1.80 1.16 1 102 THR 0.13 -1.87 1 105 SER 1.72 -3.00 1 106 SER -3.94 -3.22 1 107 TYR -6.41 -0.24 1 109 ILE 7.20 -0.30 1 110 HIS 0.46 1.45 1 112 LEU -2.40 -3.67 1 113 ASN -3.89 -1.38 1 116 LEU -2.62 0.06 1 118 GLU -5.45 -2.76 1 119 ILE 1.63 -1.46 1 121 ASN -0.51 -0.39 1 123 GLU 0.04 -1.39 1 124 TRP 1.55 -4.49 1 125 LEU -4.79 -3.19 1 128 ARG 2.34 1.13 1 130 THR 1.51 -1.42 1 stop_ save_