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 bmr6625_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.25 _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 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.70 _LACS_plot.Line_2_terminator_val_x_2 9.77 _LACS_plot.Line_2_terminator_val_y_2 8.21 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 85 ASP 9.77 0.65 0 11 ASP 3.50 3.65 1 12 VAL -3.86 -0.95 1 13 ASP 0.44 1.57 1 14 ILE -7.85 -3.69 1 15 ASP -1.25 -0.39 1 19 VAL -2.13 -1.44 1 20 PHE -3.92 -3.39 1 21 LYS 1.02 1.60 1 22 TYR -9.25 -3.20 1 23 VAL -5.46 -3.01 1 24 LEU -4.71 -2.04 1 25 ILE -5.87 -1.51 1 26 ARG -1.79 -0.62 1 27 VAL -3.50 -2.19 1 28 HIS -4.38 -0.26 1 29 SER -0.30 0.10 1 30 ALA -0.34 0.24 1 32 ARG -2.16 -0.88 1 33 SER -0.46 0.72 1 35 ALA -0.84 -0.10 1 37 ALA -1.14 -0.45 1 38 ALA -0.76 -0.08 1 39 GLU -2.53 -0.43 1 40 SER -4.02 -1.13 1 41 LYS -3.01 -0.57 1 42 GLU -1.08 -0.80 1 43 ILE -4.46 -2.19 1 44 VAL -2.71 -0.66 1 45 ARG -7.35 -3.43 1 47 TYR -8.05 -3.20 1 48 LYS 3.23 3.08 1 49 TRP -0.20 -1.06 1 50 ALA -0.38 0.02 1 51 GLU 0.86 1.58 1 52 TYR -1.76 -0.78 1 53 HIS 8.73 9.49 1 54 ALA 2.93 2.63 1 55 ASP 3.21 3.55 1 56 ILE 3.90 3.93 1 57 TYR 5.66 5.43 1 58 ASP 4.84 3.98 1 59 LYS 3.14 3.09 1 60 VAL 4.53 3.76 1 61 SER 5.08 3.61 1 63 ASP 4.29 3.34 1 64 MET 2.35 1.70 1 65 GLN 4.74 3.46 1 66 LYS 3.77 3.00 1 67 GLN -1.06 -0.84 1 70 ASP -3.34 -0.66 1 72 GLU -5.38 -1.29 1 74 LEU 0.56 -0.98 1 78 ARG -4.79 -2.21 1 79 ILE -4.14 -1.66 1 80 SER -3.03 -2.85 1 82 GLN 0.55 -1.22 1 83 SER 1.68 1.04 1 84 GLN 4.53 3.13 1 86 LYS -5.36 -1.15 1 89 HIS -6.39 -0.63 1 90 VAL -0.98 -0.68 1 91 TYR -0.76 -1.86 1 93 TYR -2.33 -1.17 1 94 SER -3.17 -3.19 1 95 MET 4.97 4.02 1 96 ALA 2.69 2.51 1 97 TYR -2.63 -0.56 1 100 ALA -2.01 -1.87 1 101 GLN 1.91 -1.15 1 102 HIS 1.02 3.29 1 103 ALA 3.38 2.47 1 104 ILE 4.64 2.99 1 105 SER 4.42 2.15 1 106 THR 6.94 5.49 1 107 GLU 3.86 3.31 1 108 LYS 3.27 1.85 1 109 ILE 5.61 5.36 1 110 LYS 3.37 2.87 1 111 ALA 2.79 1.63 1 112 LYS 0.65 0.30 1 113 TYR 0.31 -1.12 1 115 ASP -1.14 -0.41 1 117 GLU -0.92 -1.29 1 118 VAL -5.07 -2.09 1 119 THR -5.81 -2.51 1 120 TRP -4.74 -0.57 1 121 ALA -0.07 -0.28 1 122 ASN -2.29 -0.42 1 123 ASP 1.40 3.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6625_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.25 _LACS_plot.Line_1_terminator_val_y_1 5.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 9.77 _LACS_plot.Line_2_terminator_val_y_2 -1.56 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 85 ASP 9.77 -9.12 0 11 ASP 3.50 0.15 1 12 VAL -3.86 2.91 1 13 ASP 0.44 1.13 1 14 ILE -7.85 4.16 1 15 ASP -1.25 0.86 1 19 VAL -2.13 0.69 1 20 PHE -3.92 0.53 1 21 LYS 1.02 0.58 1 22 TYR -9.25 6.05 1 23 VAL -5.46 2.45 1 24 LEU -4.71 2.67 1 25 ILE -5.87 4.36 1 26 ARG -1.79 1.17 1 27 VAL -3.50 1.31 1 28 HIS -4.38 4.12 1 29 SER -0.30 0.40 1 30 ALA -0.34 0.58 1 32 ARG -2.16 1.28 1 33 SER -0.46 1.18 1 35 ALA -0.84 0.74 1 37 ALA -1.14 0.69 1 38 ALA -0.76 0.68 1 39 GLU -2.53 2.10 1 40 SER -4.02 2.89 1 41 LYS -3.01 2.44 1 42 GLU -1.08 0.28 1 43 ILE -4.46 2.27 1 44 VAL -2.71 2.05 1 45 ARG -7.35 3.92 1 47 TYR -8.05 4.85 1 48 LYS 3.23 -0.15 1 49 TRP -0.20 -0.86 1 50 ALA -0.38 0.40 1 51 GLU 0.86 0.72 1 52 TYR -1.76 0.98 1 53 HIS 8.73 0.76 1 54 ALA 2.93 -0.30 1 55 ASP 3.21 0.34 1 56 ILE 3.90 0.03 1 57 TYR 5.66 -0.23 1 58 ASP 4.84 -0.86 1 59 LYS 3.14 -0.05 1 60 VAL 4.53 -0.77 1 61 SER 5.08 -1.47 1 63 ASP 4.29 -0.95 1 64 MET 2.35 -0.65 1 65 GLN 4.74 -1.28 1 66 LYS 3.77 -0.77 1 67 GLN -1.06 0.22 1 70 ASP -3.34 2.68 1 72 GLU -5.38 4.09 1 74 LEU 0.56 -1.54 1 78 ARG -4.79 2.58 1 79 ILE -4.14 2.48 1 80 SER -3.03 0.18 1 82 GLN 0.55 -1.77 1 83 SER 1.68 -0.64 1 84 GLN 4.53 -1.40 1 86 LYS -5.36 4.21 1 89 HIS -6.39 5.76 1 90 VAL -0.98 0.30 1 91 TYR -0.76 -1.10 1 93 TYR -2.33 1.16 1 94 SER -3.17 -0.02 1 95 MET 4.97 -0.95 1 96 ALA 2.69 -0.18 1 97 TYR -2.63 2.07 1 100 ALA -2.01 0.14 1 101 GLN 1.91 -3.06 1 102 HIS 1.02 2.27 1 103 ALA 3.38 -0.91 1 104 ILE 4.64 -1.65 1 105 SER 4.42 -2.27 1 106 THR 6.94 -1.45 1 107 GLU 3.86 -0.55 1 108 LYS 3.27 -1.42 1 109 ILE 5.61 -0.25 1 110 LYS 3.37 -0.50 1 111 ALA 2.79 -1.16 1 112 LYS 0.65 -0.35 1 113 TYR 0.31 -1.43 1 115 ASP -1.14 0.73 1 117 GLU -0.92 -0.37 1 118 VAL -5.07 2.98 1 119 THR -5.81 3.30 1 120 TRP -4.74 4.17 1 121 ALA -0.07 -0.21 1 122 ASN -2.29 1.87 1 123 ASP 1.40 1.73 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6625_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.25 _LACS_plot.Line_1_terminator_val_y_1 1.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 9.77 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 VAL -0.92 1.39 0 11 ASP 3.50 -0.16 1 12 VAL -3.86 0.30 1 13 ASP 0.44 0.25 1 14 ILE -7.85 1.22 1 15 ASP -1.25 0.00 1 19 VAL -2.13 1.16 1 20 PHE -3.92 0.53 1 21 LYS 1.02 0.09 1 22 TYR -9.25 1.09 1 23 VAL -5.46 0.45 1 24 LEU -4.71 0.89 1 25 ILE -5.87 0.62 1 26 ARG -1.79 0.74 1 27 VAL -3.50 0.75 1 28 HIS -4.38 0.36 1 29 SER -0.30 0.08 1 30 ALA -0.34 0.15 1 32 ARG -2.16 0.21 1 33 SER -0.46 -0.14 1 35 ALA -0.84 0.09 1 37 ALA -1.14 0.04 1 38 ALA -0.76 0.02 1 39 GLU -2.53 0.19 1 40 SER -4.02 0.93 1 41 LYS -3.01 0.34 1 42 GLU -1.08 1.09 1 43 ILE -4.46 1.17 1 44 VAL -2.71 0.64 1 45 ARG -7.35 1.05 1 47 TYR -8.05 1.09 1 48 LYS 3.23 0.18 1 49 TRP -0.20 -0.21 1 50 ALA -0.38 0.11 1 51 GLU 0.86 -0.23 1 52 TYR -1.76 0.02 1 53 HIS 8.73 -0.87 1 54 ALA 2.93 0.51 1 55 ASP 3.21 0.03 1 56 ILE 3.90 -0.24 1 57 TYR 5.66 -0.68 1 58 ASP 4.84 -0.46 1 59 LYS 3.14 -0.15 1 60 VAL 4.53 -0.25 1 61 SER 5.08 -0.28 1 63 ASP 4.29 -0.19 1 64 MET 2.35 -0.12 1 65 GLN 4.74 0.02 1 66 LYS 3.77 -0.15 1 67 GLN -1.06 0.24 1 70 ASP -3.34 0.31 1 72 GLU -5.38 0.41 1 74 LEU 0.56 0.24 1 78 ARG -4.79 0.42 1 79 ILE -4.14 0.34 1 80 SER -3.03 0.32 1 83 SER 1.68 -0.19 1 84 GLN 4.53 -0.23 1 85 ASP 9.77 -0.50 1 86 LYS -5.36 1.06 1 89 HIS -6.39 1.00 1 90 VAL -0.98 0.30 1 91 TYR -0.76 1.12 1 93 TYR -2.33 0.82 1 94 SER -3.17 0.43 1 96 ALA 2.69 -0.34 1 97 TYR -2.63 0.15 1 100 ALA -2.01 0.06 1 101 GLN 1.91 -0.30 1 102 HIS 1.02 -0.66 1 103 ALA 3.38 -1.18 1 104 ILE 4.64 -0.44 1 105 SER 4.42 -0.69 1 106 THR 6.94 -0.81 1 107 GLU 3.86 -0.37 1 108 LYS 3.27 -0.18 1 109 ILE 5.61 -0.66 1 110 LYS 3.37 -0.41 1 111 ALA 2.79 -0.18 1 112 LYS 0.65 -0.21 1 113 TYR 0.31 -0.56 1 117 GLU -1.14 0.32 1 119 THR -5.07 0.56 1 120 TRP -5.81 1.23 1 121 ALA -4.74 0.00 1 122 ASN -0.07 0.87 1 123 ASP -2.29 0.28 1 125 TYR 1.40 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6625_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.25 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 8.72 _LACS_plot.Line_2_terminator_val_y_2 4.01 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 TYR -2.33 6.15 0 78 ARG -4.79 5.79 0 12 VAL -3.86 -2.67 1 13 ASP 0.44 -3.28 1 19 VAL -2.13 0.27 1 20 PHE -3.92 -1.87 1 21 LYS 1.02 -2.95 1 22 TYR -9.25 -2.73 1 23 VAL -5.46 -4.07 1 24 LEU -4.71 -2.91 1 25 ILE -5.87 -1.94 1 26 ARG -1.79 -2.04 1 27 VAL -3.50 -2.65 1 28 HIS -4.38 1.46 1 29 SER -0.30 -1.22 1 30 ALA -0.34 -0.24 1 32 ARG -2.16 0.15 1 33 SER -0.46 1.06 1 35 ALA -0.84 -0.50 1 37 ALA -1.14 -0.84 1 38 ALA -0.76 -0.42 1 39 GLU -2.53 -1.50 1 40 SER -4.02 -1.29 1 41 LYS -3.01 -3.26 1 42 GLU -1.08 -0.65 1 43 ILE -4.46 -2.32 1 44 VAL -2.71 1.87 1 45 ARG -7.35 -1.42 1 47 TYR -8.05 0.69 1 49 TRP -0.20 0.36 1 50 ALA -0.38 -1.50 1 51 GLU 0.86 0.15 1 52 TYR -1.76 1.02 1 53 HIS 8.73 5.06 1 54 ALA 2.93 0.67 1 55 ASP 3.21 3.58 1 56 ILE 3.90 1.05 1 57 TYR 5.66 1.80 1 58 ASP 4.84 2.63 1 59 LYS 3.14 1.88 1 60 VAL 4.53 2.03 1 61 SER 5.08 3.57 1 63 ASP 4.29 3.53 1 64 MET 2.35 3.44 1 65 GLN 4.74 4.54 1 66 LYS 3.77 0.94 1 67 GLN -1.06 -0.49 1 70 ASP -3.34 -0.69 1 72 GLU -5.38 -1.72 1 74 LEU 0.56 -1.46 1 79 ILE -4.14 -2.15 1 80 SER -3.03 -0.95 1 83 SER 1.68 3.39 1 84 GLN 4.53 0.91 1 89 HIS -6.39 -0.63 1 90 VAL -0.98 -2.67 1 91 TYR -0.76 0.39 1 94 SER -3.17 4.69 1 95 MET 4.97 2.31 1 96 ALA 2.69 3.03 1 97 TYR -2.63 0.54 1 100 ALA -2.01 -1.84 1 101 GLN 1.91 -0.47 1 102 HIS 1.02 2.44 1 103 ALA 3.38 3.04 1 104 ILE 4.64 2.03 1 105 SER 4.42 2.04 1 106 THR 6.94 0.86 1 107 GLU 3.86 3.10 1 108 LYS 3.27 2.84 1 109 ILE 5.61 1.03 1 110 LYS 3.37 0.93 1 111 ALA 2.79 1.15 1 112 LYS 0.65 -1.55 1 113 TYR 0.31 -1.15 1 117 GLU -1.14 -1.10 1 118 VAL -0.92 -0.72 1 119 THR -5.07 -2.03 1 120 TRP -5.81 -0.77 1 121 ALA -4.74 -1.66 1 122 ASN -0.07 0.54 1 123 ASP -2.29 -0.49 1 stop_ save_