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 bmr18485_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 -2.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 5.38 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ILE 4.40 0.77 0 73 GLN -5.21 -0.17 0 55 HIS -4.00 0.79 0 10 ASP 4.18 2.99 1 11 THR 6.89 5.41 1 12 ILE 5.03 3.81 1 13 LYS 2.29 2.20 1 14 SER 0.23 1.44 1 15 GLU -2.58 -2.15 1 16 ASP 4.84 4.56 1 17 VAL -1.78 -0.30 1 18 VAL -5.25 -2.10 1 19 THR -6.43 -3.68 1 20 PHE -3.26 -1.20 1 21 ILE -6.76 -1.74 1 22 LYS 0.41 0.50 1 24 LEU -2.46 -1.15 1 26 GLU 1.34 0.14 1 27 ALA -0.22 0.38 1 29 MET -0.95 -0.81 1 31 ALA 2.61 2.19 1 32 TYR 3.79 2.03 1 33 SER 7.23 6.12 1 34 LYS 4.41 3.46 1 35 ARG 4.17 2.98 1 36 MET 3.96 2.80 1 38 ASP 4.46 3.33 1 39 VAL 6.01 4.61 1 40 LEU 4.86 3.06 1 41 GLU 2.73 1.95 1 42 ALA 3.92 2.48 1 43 LEU -0.77 0.31 1 45 LEU -1.02 -0.70 1 46 GLU -1.41 -1.08 1 47 TYR -4.35 -2.08 1 48 THR -0.60 0.50 1 49 SER -5.13 -2.54 1 50 PHE -4.29 -0.36 1 51 ASP -3.04 -1.97 1 52 VAL 2.26 1.13 1 53 LEU 2.03 0.66 1 54 ALA -0.13 0.89 1 57 VAL 4.81 3.13 1 58 VAL 5.19 3.71 1 59 ARG 4.93 3.98 1 60 SER 4.22 3.14 1 61 TYR 3.77 4.13 1 62 VAL 4.48 3.02 1 63 LYS 2.47 2.13 1 64 GLU 0.43 0.91 1 65 VAL 1.96 1.30 1 66 SER -0.36 -0.26 1 67 GLU 1.76 1.24 1 68 TRP -3.66 -1.84 1 70 THR -0.96 -0.33 1 71 ILE -4.32 -2.94 1 74 LEU -5.19 -0.55 1 75 PHE -3.68 -0.63 1 76 ILE -3.63 -1.91 1 77 LYS 2.90 0.40 1 78 ALA 1.89 1.02 1 79 GLU -3.93 -1.83 1 80 PHE 1.61 0.56 1 81 VAL 1.10 0.84 1 84 LEU 2.95 3.15 1 85 ASP 5.01 3.41 1 86 ILE 3.05 1.76 1 87 VAL 6.75 5.51 1 88 THR 6.53 5.10 1 89 LYS 4.44 3.43 1 90 MET 2.06 3.19 1 91 LEU 3.52 2.98 1 92 GLU 2.69 2.48 1 93 SER 0.46 0.89 1 95 ASP 2.78 3.05 1 96 LEU 4.36 2.86 1 97 LYS 5.07 3.90 1 98 LYS 4.09 3.73 1 99 MET 4.10 3.75 1 100 LEU 5.20 3.50 1 101 ARG 4.39 3.28 1 102 ASP 3.89 3.10 1 103 LYS -0.50 -0.88 1 105 ILE -0.35 -0.46 1 106 THR 1.95 1.39 1 108 ARG -0.08 0.30 1 109 ASP 0.18 0.04 1 110 LEU 0.61 1.68 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18485_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 3.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.79 _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 7.23 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ILE 4.40 -3.63 0 73 GLN -5.21 5.04 0 55 HIS -4.00 4.79 0 10 ASP 4.18 -1.19 1 11 THR 6.89 -1.48 1 12 ILE 5.03 -1.22 1 13 LYS 2.29 -0.09 1 14 SER 0.23 1.21 1 15 GLU -2.58 0.43 1 16 ASP 4.84 -0.28 1 17 VAL -1.78 1.48 1 18 VAL -5.25 3.15 1 19 THR -6.43 2.75 1 20 PHE -3.26 2.06 1 21 ILE -6.76 5.02 1 22 LYS 0.41 0.09 1 24 LEU -2.46 1.31 1 26 GLU 1.34 -1.20 1 27 ALA -0.22 0.60 1 29 MET -0.95 0.14 1 31 ALA 2.61 -0.42 1 32 TYR 3.79 -1.76 1 33 SER 7.23 -1.11 1 34 LYS 4.41 -0.95 1 35 ARG 4.17 -1.19 1 36 MET 3.96 -1.16 1 38 ASP 4.46 -1.13 1 39 VAL 6.01 -1.40 1 40 LEU 4.86 -1.80 1 41 GLU 2.73 -0.78 1 42 ALA 3.92 -1.44 1 43 LEU -0.77 1.08 1 45 LEU -1.02 0.32 1 46 GLU -1.41 0.33 1 47 TYR -4.35 2.27 1 48 THR -0.60 1.10 1 49 SER -5.13 2.59 1 50 PHE -4.29 3.93 1 51 ASP -3.04 1.07 1 52 VAL 2.26 -1.13 1 53 LEU 2.03 -1.37 1 54 ALA -0.13 1.02 1 57 VAL 4.81 -1.68 1 58 VAL 5.19 -1.48 1 59 ARG 4.93 -0.95 1 60 SER 4.22 -1.08 1 61 TYR 3.77 0.36 1 62 VAL 4.48 -1.46 1 63 LYS 2.47 -0.34 1 64 GLU 0.43 0.48 1 65 VAL 1.96 -0.66 1 66 SER -0.36 0.10 1 67 GLU 1.76 -0.52 1 68 TRP -3.66 1.82 1 70 THR -0.96 0.63 1 71 ILE -4.32 1.38 1 74 LEU -5.19 4.64 1 75 PHE -3.68 3.05 1 76 ILE -3.63 1.72 1 77 LYS 2.90 -2.50 1 78 ALA 1.89 -0.87 1 79 GLU -3.93 2.10 1 80 PHE 1.61 -1.05 1 81 VAL 1.10 -0.26 1 84 LEU 2.95 0.20 1 85 ASP 5.01 -1.60 1 86 ILE 3.05 -1.29 1 87 VAL 6.75 -1.24 1 88 THR 6.53 -1.43 1 89 LYS 4.44 -1.01 1 90 MET 2.06 1.13 1 91 LEU 3.52 -0.54 1 92 GLU 2.69 -0.21 1 93 SER 0.46 0.43 1 95 ASP 2.78 0.27 1 96 LEU 4.36 -1.50 1 97 LYS 5.07 -1.17 1 98 LYS 4.09 -0.36 1 99 MET 4.10 -0.35 1 100 LEU 5.20 -1.70 1 101 ARG 4.39 -1.11 1 102 ASP 3.89 -0.79 1 103 LYS -0.50 -0.38 1 105 ILE -0.35 -0.11 1 106 THR 1.95 -0.56 1 108 ARG -0.08 0.38 1 109 ASP 0.18 -0.14 1 110 LEU 0.61 1.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18485_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 0.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 80 PHE 1.61 -1.23 0 10 ASP 4.18 -0.32 1 11 THR 6.89 -0.29 1 12 ILE 5.03 -0.53 1 13 LYS 2.29 -0.19 1 14 SER 0.23 0.08 1 15 GLU -2.58 0.21 1 16 ASP 4.84 -0.30 1 17 VAL -1.78 0.80 1 18 VAL -5.25 1.13 1 19 THR -6.43 1.44 1 20 PHE -3.26 0.88 1 21 ILE -6.76 0.64 1 22 LYS 0.41 0.28 1 24 LEU -2.46 0.18 1 26 GLU 1.34 -0.14 1 27 ALA -0.22 -0.03 1 29 MET -0.95 0.28 1 31 ALA 2.61 -0.24 1 32 TYR 3.79 -0.22 1 33 SER 7.23 -0.46 1 34 LYS 4.41 -0.47 1 35 ARG 4.17 -0.19 1 36 MET 3.96 -0.41 1 37 ILE 4.40 -0.65 1 38 ASP 4.46 -0.31 1 39 VAL 6.01 -0.54 1 40 LEU 4.86 -0.57 1 41 GLU 2.73 -0.05 1 42 ALA 3.92 -0.15 1 43 LEU -0.77 -0.09 1 45 LEU -1.02 0.11 1 46 GLU -1.41 0.11 1 47 TYR -4.35 0.75 1 48 THR -0.60 -0.08 1 49 SER -5.13 1.05 1 50 PHE -4.29 0.09 1 51 ASP -3.04 0.73 1 52 VAL 2.26 -0.01 1 53 LEU 2.03 -0.08 1 54 ALA -0.13 -0.08 1 55 HIS -4.00 0.09 1 57 VAL 4.81 -0.13 1 58 VAL 5.19 -0.59 1 59 ARG 4.93 -0.43 1 60 SER 4.22 -0.31 1 61 TYR 3.77 -0.67 1 62 VAL 4.48 -0.59 1 63 LYS 2.47 -0.29 1 64 GLU 0.43 -0.24 1 65 VAL 1.96 -0.29 1 66 SER -0.36 -0.24 1 67 GLU 1.76 -0.48 1 68 TRP -3.66 -0.06 1 70 THR -0.96 -0.01 1 71 ILE -4.32 0.05 1 73 GLN -5.21 0.75 1 74 LEU -5.19 0.99 1 75 PHE -3.68 0.62 1 76 ILE -3.63 0.93 1 77 LYS 2.90 -0.13 1 78 ALA 1.89 -0.48 1 79 GLU -3.93 0.41 1 81 VAL 1.10 -0.35 1 84 LEU 2.95 -0.56 1 85 ASP 5.01 -0.37 1 86 ILE 3.05 -0.32 1 87 VAL 6.75 -0.81 1 88 THR 6.53 -0.53 1 89 LYS 4.44 -0.17 1 90 MET 2.06 -0.15 1 91 LEU 3.52 -0.14 1 92 GLU 2.69 -0.33 1 93 SER 0.46 -0.06 1 95 ASP 2.78 -0.16 1 96 LEU 4.36 -0.26 1 97 LYS 5.07 -0.40 1 98 LYS 4.09 -0.38 1 99 MET 4.10 -0.34 1 100 LEU 5.20 -0.55 1 101 ARG 4.39 -0.21 1 102 ASP 3.89 -0.23 1 103 LYS -0.50 0.08 1 105 ILE -0.35 -0.06 1 106 THR 1.95 -0.19 1 108 ARG -0.08 -0.05 1 109 ASP 0.18 -0.02 1 110 LEU 0.61 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18485_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 2.15 _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 74 LEU -5.19 -4.84 0 110 LEU 0.61 4.81 0 10 ASP 4.18 3.04 1 11 THR 6.89 0.87 1 12 ILE 5.03 1.06 1 13 LYS 2.29 0.95 1 14 SER 0.23 -0.07 1 15 GLU -2.58 0.19 1 16 ASP 4.84 0.17 1 17 VAL -1.78 -1.85 1 18 VAL -5.25 -2.14 1 19 THR -6.43 -3.57 1 20 PHE -3.26 -0.60 1 21 ILE -6.76 -2.48 1 22 LYS 0.41 -0.66 1 24 LEU -2.46 1.01 1 26 GLU 1.34 -0.17 1 27 ALA -0.22 -3.56 1 29 MET -0.95 -0.93 1 31 ALA 2.61 2.42 1 32 TYR 3.79 2.77 1 33 SER 7.23 0.31 1 34 LYS 4.41 0.48 1 35 ARG 4.17 1.76 1 36 MET 3.96 0.66 1 37 ILE 4.40 1.23 1 38 ASP 4.46 3.91 1 39 VAL 6.01 0.76 1 40 LEU 4.86 2.19 1 41 GLU 2.73 4.52 1 42 ALA 3.92 2.48 1 43 LEU -0.77 -0.42 1 45 LEU -1.02 -0.62 1 46 GLU -1.41 -0.47 1 47 TYR -4.35 -2.10 1 48 THR -0.60 -2.76 1 49 SER -5.13 -0.91 1 50 PHE -4.29 -2.19 1 51 ASP -3.04 2.48 1 52 VAL 2.26 0.38 1 53 LEU 2.03 1.55 1 54 ALA -0.13 -0.14 1 55 HIS -4.00 1.64 1 57 VAL 4.81 1.50 1 58 VAL 5.19 0.97 1 59 ARG 4.93 2.28 1 60 SER 4.22 1.16 1 61 TYR 3.77 1.83 1 62 VAL 4.48 0.69 1 63 LYS 2.47 0.95 1 64 GLU 0.43 0.95 1 65 VAL 1.96 0.04 1 66 SER -0.36 -0.26 1 67 GLU 1.76 -0.85 1 70 THR -0.96 -2.42 1 71 ILE -4.32 0.11 1 73 GLN -5.21 -1.44 1 75 PHE -3.68 -0.99 1 76 ILE -3.63 -0.16 1 77 LYS 2.90 -0.71 1 78 ALA 1.89 -1.85 1 79 GLU -3.93 -1.40 1 80 PHE 1.61 -0.52 1 81 VAL 1.10 -1.57 1 84 LEU 2.95 0.65 1 85 ASP 5.01 2.00 1 86 ILE 3.05 1.26 1 87 VAL 6.75 1.33 1 88 THR 6.53 2.20 1 89 LYS 4.44 3.05 1 90 MET 2.06 3.33 1 91 LEU 3.52 2.10 1 92 GLU 2.69 1.75 1 93 SER 0.46 1.35 1 95 ASP 2.78 2.19 1 96 LEU 4.36 -0.53 1 97 LYS 5.07 1.65 1 98 LYS 4.09 0.87 1 99 MET 4.10 1.72 1 100 LEU 5.20 0.99 1 101 ARG 4.39 4.82 1 102 ASP 3.89 2.11 1 103 LYS -0.50 -0.32 1 105 ILE -0.35 -1.03 1 106 THR 1.95 -1.48 1 108 ARG -0.08 -0.75 1 109 ASP 0.18 -1.33 1 stop_ save_