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 bmr4205_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.19 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 5.18 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 HIS -1.35 2.42 0 10 THR 0.01 -0.29 1 13 SER 0.92 0.83 1 14 LYS 2.30 1.79 1 15 GLU 1.64 1.50 1 16 MET 1.45 1.37 1 17 MET 1.79 1.55 1 18 SER 2.57 1.96 1 19 GLN 2.50 1.87 1 20 ALA 1.74 1.34 1 21 LEU 1.84 1.52 1 22 LYS 3.00 2.39 1 23 ALA 1.84 1.41 1 24 THR 3.27 2.67 1 25 PHE 2.10 0.76 1 26 SER 4.16 3.31 1 28 PHE 3.43 1.51 1 29 THR 5.31 3.95 1 30 LYS 3.78 2.81 1 31 GLU 1.36 1.06 1 32 GLN 4.17 3.39 1 33 GLN 3.37 2.38 1 34 ARG 2.87 3.52 1 35 LEU -1.73 -0.80 1 37 ILE -0.70 0.35 1 39 LYS 3.00 2.53 1 40 ASP -4.19 -2.64 1 42 ARG 4.52 2.57 1 43 GLN -0.25 -1.01 1 44 TRP -3.58 -2.10 1 45 THR -2.96 -1.24 1 46 GLU 3.46 2.94 1 47 THR 6.20 4.58 1 48 HIS 1.57 3.82 1 49 VAL 4.97 4.95 1 50 ARG 5.52 4.03 1 51 ASP 3.77 3.63 1 52 TRP 5.63 3.97 1 53 VAL 6.45 4.59 1 54 MET 4.27 3.72 1 55 TRP 6.90 4.72 1 56 ALA 3.40 2.25 1 57 VAL 5.57 4.23 1 58 ASN 2.64 2.68 1 59 GLU 3.17 1.89 1 60 PHE -0.13 -1.21 1 61 SER 2.65 -0.11 1 62 LEU -0.50 -1.02 1 63 LYS -2.43 -1.13 1 65 VAL 2.84 1.32 1 66 ASP -2.27 -2.39 1 67 PHE 5.08 3.90 1 68 GLN 3.65 2.54 1 69 LYS 2.20 1.33 1 70 PHE 0.49 0.14 1 72 MET -3.36 -1.02 1 73 SER -1.48 -0.54 1 75 ALA 3.95 2.59 1 76 ALA 2.74 2.08 1 77 LEU 1.60 3.04 1 79 ALA -0.46 -0.36 1 80 LEU 0.63 1.78 1 82 LYS 4.26 4.22 1 83 GLU 5.30 3.96 1 85 PHE 3.77 4.12 1 86 LEU 3.46 2.16 1 87 GLU 0.64 0.56 1 88 LEU 1.36 0.56 1 89 ALA -3.43 -1.61 1 91 ASP 2.37 1.75 1 92 PHE 6.00 4.16 1 93 VAL 3.95 3.20 1 95 ASP 4.00 3.83 1 96 ILE 3.87 3.24 1 97 LEU 3.80 2.73 1 98 TRP 2.85 2.63 1 99 GLU 3.29 2.40 1 101 LEU 4.08 2.52 1 102 GLU 3.31 3.08 1 103 ILE 4.22 3.71 1 104 LEU 2.06 1.96 1 105 GLN -0.43 1.64 1 106 LYS 0.56 0.60 1 107 GLU -0.28 0.28 1 108 ASP -0.15 0.00 1 109 VAL 0.44 0.10 1 110 LYS 0.61 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4205_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.19 _LACS_plot.Line_1_terminator_val_y_1 1.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 HIS -1.35 3.77 0 10 THR 0.01 -0.30 1 13 SER 0.92 -0.09 1 14 LYS 2.30 -0.51 1 15 GLU 1.64 -0.14 1 16 MET 1.45 -0.08 1 17 MET 1.79 -0.24 1 18 SER 2.57 -0.61 1 19 GLN 2.50 -0.63 1 20 ALA 1.74 -0.40 1 21 LEU 1.84 -0.32 1 22 LYS 3.00 -0.61 1 23 ALA 1.84 -0.43 1 24 THR 3.27 -0.60 1 25 PHE 2.10 -1.34 1 26 SER 4.16 -0.85 1 28 PHE 3.43 -1.92 1 29 THR 5.31 -1.36 1 30 LYS 3.78 -0.97 1 31 GLU 1.36 -0.30 1 32 GLN 4.17 -0.78 1 33 GLN 3.37 -0.99 1 34 ARG 2.87 0.65 1 35 LEU -1.73 0.93 1 37 ILE -0.70 1.05 1 39 LYS 3.00 -0.47 1 40 ASP -4.19 1.55 1 42 ARG 4.52 -1.95 1 43 GLN -0.25 -0.76 1 44 TRP -3.58 1.48 1 45 THR -2.96 1.72 1 46 GLU 3.46 -0.52 1 47 THR 6.20 -1.62 1 48 HIS 1.57 2.25 1 49 VAL 4.97 -0.02 1 50 ARG 5.52 -1.49 1 51 ASP 3.77 -0.14 1 52 TRP 5.63 -1.66 1 53 VAL 6.45 -1.86 1 54 MET 4.27 -0.55 1 55 TRP 6.90 -2.18 1 56 ALA 3.40 -1.15 1 57 VAL 5.57 -1.34 1 58 ASN 2.64 0.04 1 59 GLU 3.17 -1.28 1 60 PHE -0.13 -1.08 1 61 SER 2.65 -2.76 1 62 LEU -0.50 -0.52 1 63 LYS -2.43 1.30 1 65 VAL 2.84 -1.52 1 66 ASP -2.27 -0.12 1 67 PHE 5.08 -1.18 1 68 GLN 3.65 -1.11 1 69 LYS 2.20 -0.87 1 70 PHE 0.49 -0.35 1 72 MET -3.36 2.34 1 73 SER -1.48 0.94 1 75 ALA 3.95 -1.36 1 76 ALA 2.74 -0.66 1 77 LEU 1.60 1.44 1 79 ALA -0.46 0.10 1 80 LEU 0.63 1.15 1 82 LYS 4.26 -0.04 1 83 GLU 5.30 -1.34 1 85 PHE 3.77 0.35 1 86 LEU 3.46 -1.30 1 87 GLU 0.64 -0.08 1 88 LEU 1.36 -0.80 1 89 ALA -3.43 1.82 1 91 ASP 2.37 -0.62 1 92 PHE 6.00 -1.84 1 93 VAL 3.95 -0.75 1 95 ASP 4.00 -0.17 1 96 ILE 3.87 -0.63 1 97 LEU 3.80 -1.07 1 98 TRP 2.85 -0.22 1 99 GLU 3.29 -0.89 1 101 LEU 4.08 -1.56 1 102 GLU 3.31 -0.23 1 103 ILE 4.22 -0.51 1 104 LEU 2.06 -0.10 1 105 GLN -0.43 2.07 1 106 LYS 0.56 0.04 1 107 GLU -0.28 0.56 1 108 ASP -0.15 0.15 1 109 VAL 0.44 -0.34 1 110 LYS 0.61 0.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4205_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.19 _LACS_plot.Line_1_terminator_val_y_1 0.21 _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 0.06 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 LYS 4.26 -2.16 0 10 THR 0.01 -0.01 1 13 SER 0.92 -0.05 1 15 GLU 1.64 -0.16 1 16 MET 1.45 -0.10 1 17 MET 1.79 -0.11 1 18 SER 2.57 -0.17 1 19 GLN 2.50 -0.16 1 20 ALA 1.74 -0.07 1 21 LEU 1.84 -0.22 1 22 LYS 3.00 -0.26 1 23 ALA 1.84 -0.01 1 24 THR 3.27 -0.21 1 25 PHE 2.10 0.29 1 26 SER 4.16 -0.07 1 28 PHE 3.43 -1.14 1 29 THR 5.31 -0.31 1 30 LYS 3.78 -0.26 1 31 GLU 1.36 0.09 1 32 GLN 4.17 -1.01 1 33 GLN 3.37 -0.38 1 34 ARG 2.87 -0.37 1 35 LEU -1.73 0.02 1 37 ILE -0.70 -0.97 1 39 LYS 3.00 -0.44 1 40 ASP -4.19 -0.25 1 42 ARG 4.52 0.09 1 43 GLN -0.25 0.09 1 44 TRP -3.58 1.15 1 45 THR -2.96 0.42 1 46 GLU 3.46 0.07 1 47 THR 6.20 -0.46 1 48 HIS 1.57 -0.46 1 49 VAL 4.97 -0.05 1 50 ARG 5.52 -0.39 1 51 ASP 3.77 -0.20 1 52 TRP 5.63 -0.14 1 53 VAL 6.45 -1.47 1 54 MET 4.27 -0.41 1 55 TRP 6.90 -0.52 1 56 ALA 3.40 -1.31 1 57 VAL 5.57 -0.76 1 58 ASN 2.64 -0.33 1 59 GLU 3.17 -0.82 1 60 PHE -0.13 0.02 1 61 SER 2.65 -0.36 1 62 LEU -0.50 0.06 1 63 LYS -2.43 0.29 1 65 VAL 2.84 -0.49 1 66 ASP -2.27 0.15 1 67 PHE 5.08 -0.47 1 68 GLN 3.65 -0.10 1 69 LYS 2.20 -0.34 1 70 PHE 0.49 -0.22 1 72 MET -3.36 0.29 1 73 SER -1.48 -0.28 1 75 ALA 3.95 -0.45 1 76 ALA 2.74 -0.25 1 77 LEU 1.60 -0.04 1 79 ALA -0.46 0.04 1 80 LEU 0.63 -0.20 1 83 GLU 5.30 -0.63 1 85 PHE 3.77 -0.67 1 86 LEU 3.46 -0.40 1 87 GLU 0.64 -0.23 1 88 LEU 1.36 -0.56 1 89 ALA -3.43 0.28 1 91 ASP 2.37 -0.36 1 92 PHE 6.00 -0.24 1 93 VAL 3.95 -0.50 1 95 ASP 4.00 -0.26 1 96 ILE 3.87 -0.25 1 97 LEU 3.80 -0.01 1 98 TRP 2.85 -0.93 1 99 GLU 3.29 -0.48 1 100 HIS -1.35 -0.94 1 101 LEU 4.08 -1.10 1 102 GLU 3.31 -0.89 1 103 ILE 4.22 -0.55 1 104 LEU 2.06 -0.42 1 105 GLN -0.43 -0.43 1 106 LYS 0.56 -0.13 1 107 GLU -0.28 -0.18 1 108 ASP -0.15 -0.04 1 109 VAL 0.44 -0.05 1 110 LYS 0.61 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4205_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.58 _LACS_plot.Line_1_terminator_val_y_1 -0.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 2.37 _LACS_plot.Y_axis_chem_shift_offset -0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 MET -3.36 -4.05 0 44 TRP -3.58 3.74 0 13 SER 0.92 0.93 1 14 LYS 2.30 3.54 1 15 GLU 1.64 1.15 1 16 MET 1.45 1.35 1 19 GLN 2.50 1.36 1 20 ALA 1.74 1.44 1 21 LEU 1.84 0.48 1 22 LYS 3.00 1.60 1 23 ALA 1.84 1.57 1 24 THR 3.27 1.65 1 26 SER 4.16 2.07 1 28 PHE 3.43 0.35 1 29 THR 5.31 1.87 1 30 LYS 3.78 2.26 1 31 GLU 1.36 1.39 1 32 GLN 4.17 2.49 1 33 GLN 3.37 2.30 1 34 ARG 2.87 1.85 1 35 LEU -1.73 -0.13 1 39 LYS 3.00 -0.93 1 42 ARG 4.52 2.39 1 43 GLN -0.25 0.36 1 45 THR -2.96 0.50 1 46 GLU 3.46 2.81 1 47 THR 6.20 0.18 1 48 HIS 1.57 3.27 1 49 VAL 4.97 1.37 1 50 ARG 5.52 1.55 1 51 ASP 3.77 3.33 1 52 TRP 5.63 0.33 1 53 VAL 6.45 1.95 1 54 MET 4.27 2.17 1 55 TRP 6.90 1.62 1 56 ALA 3.40 1.71 1 57 VAL 5.57 2.28 1 58 ASN 2.64 2.05 1 59 GLU 3.17 1.64 1 60 PHE -0.13 -1.41 1 61 SER 2.65 -0.07 1 62 LEU -0.50 -0.39 1 63 LYS -2.43 0.25 1 65 VAL 2.84 -1.64 1 66 ASP -2.27 1.06 1 67 PHE 5.08 2.76 1 68 GLN 3.65 2.68 1 69 LYS 2.20 -0.69 1 70 PHE 0.49 -0.82 1 73 SER -1.48 0.32 1 75 ALA 3.95 2.62 1 76 ALA 2.74 -0.07 1 77 LEU 1.60 1.57 1 79 ALA -0.46 0.32 1 80 LEU 0.63 1.50 1 82 LYS 4.26 0.58 1 83 GLU 5.30 2.78 1 85 PHE 3.77 1.57 1 86 LEU 3.46 1.64 1 87 GLU 0.64 1.14 1 88 LEU 1.36 -2.67 1 91 ASP 2.37 1.10 1 92 PHE 6.00 1.33 1 93 VAL 3.95 1.34 1 95 ASP 4.00 2.49 1 96 ILE 3.87 0.51 1 97 LEU 3.80 0.87 1 98 TRP 2.85 0.94 1 99 GLU 3.29 2.57 1 100 HIS -1.35 3.04 1 101 LEU 4.08 2.20 1 102 GLU 3.31 2.97 1 103 ILE 4.22 2.86 1 104 LEU 2.06 1.23 1 105 GLN -0.43 0.24 1 106 LYS 0.56 0.06 1 107 GLU -0.28 -0.49 1 108 ASP -0.15 -0.58 1 109 VAL 0.44 -1.13 1 stop_ save_