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 bmr5598_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.99 _LACS_plot.Line_1_terminator_val_y_1 -1.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 6.24 _LACS_plot.Line_2_terminator_val_y_2 4.81 _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 48 HIS 6.24 6.85 0 11 LYS 0.12 0.05 1 13 SER -0.18 0.07 1 15 LYS 0.12 0.16 1 16 ARG 0.82 0.61 1 17 GLU -0.05 0.20 1 18 SER 0.17 0.26 1 20 GLU -1.57 -0.55 1 21 GLU 0.65 1.14 1 22 PHE -2.99 -1.00 1 23 ARG 1.02 0.89 1 24 MET -2.49 -0.93 1 25 GLU 3.91 3.60 1 26 LYS 4.41 2.92 1 27 LEU 4.70 1.64 1 28 ASN 4.92 4.45 1 29 GLN 4.62 3.46 1 30 LEU 3.08 2.98 1 31 TRP -0.05 1.20 1 32 GLU 3.64 3.09 1 33 LYS 3.99 3.40 1 34 ALA 2.40 2.32 1 35 GLN 2.96 2.42 1 36 ARG 2.39 1.62 1 37 LEU 0.04 -0.09 1 38 HIS 4.06 1.02 1 39 LEU 1.25 1.18 1 42 VAL 5.07 3.59 1 43 ARG 1.78 1.65 1 44 LEU 3.65 2.94 1 45 ALA 3.80 2.60 1 46 GLU 3.33 3.11 1 47 LEU 5.48 3.17 1 49 ALA 3.89 2.81 1 50 ASP 3.77 3.61 1 51 LEU 2.61 2.05 1 52 LYS 3.39 1.99 1 53 ILE 4.97 3.65 1 54 GLN 6.22 3.23 1 55 GLU 2.83 3.65 1 56 ARG 5.02 3.78 1 57 ASP 4.44 3.23 1 58 GLU 4.86 4.14 1 59 LEU 3.98 3.08 1 60 ALA 3.51 2.63 1 61 TRP 5.13 3.84 1 62 LYS 4.22 3.26 1 63 LYS 3.49 2.77 1 64 LEU 3.80 2.79 1 65 LYS 3.18 1.09 1 66 LEU 3.28 2.47 1 67 ASP 0.55 0.55 1 69 LEU -0.09 -0.58 1 70 ASP -2.15 -0.10 1 71 GLU 2.59 2.48 1 72 ASP -0.38 -0.73 1 74 GLU 3.10 3.06 1 75 LYS 5.00 3.40 1 76 GLU 2.89 2.43 1 77 ALA 3.80 2.57 1 78 ARG 3.90 3.10 1 79 LEU 3.52 3.08 1 80 ILE 3.95 3.38 1 81 ARG 4.87 3.85 1 82 ASN 4.17 2.81 1 83 LEU 4.64 2.89 1 84 ASN 4.66 3.31 1 85 VAL 5.99 4.69 1 86 ILE 5.71 5.11 1 87 LEU 4.91 4.01 1 88 ALA 2.51 1.86 1 89 LYS 3.13 3.05 1 90 TYR -0.22 0.15 1 92 LEU -1.34 -0.26 1 93 ASP -0.51 -0.75 1 95 LYS 0.40 0.41 1 96 LYS 0.19 0.26 1 97 ASP -0.32 -0.02 1 98 ALA 0.16 0.29 1 99 ARG 0.79 0.53 1 101 GLN -0.00 0.09 1 102 VAL 1.16 1.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5598_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.99 _LACS_plot.Line_1_terminator_val_y_1 1.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _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 6.24 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _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 48 HIS 6.24 0.61 0 11 LYS 0.12 -0.07 1 13 SER -0.18 0.25 1 15 LYS 0.12 0.04 1 16 ARG 0.82 -0.21 1 17 GLU -0.05 0.25 1 18 SER 0.17 0.09 1 20 GLU -1.57 1.02 1 21 GLU 0.65 0.49 1 22 PHE -2.99 1.99 1 23 ARG 1.02 -0.13 1 24 MET -2.49 1.56 1 25 GLU 3.91 -0.31 1 26 LYS 4.41 -1.49 1 27 LEU 4.70 -3.06 1 28 ASN 4.92 -0.47 1 29 GLN 4.62 -1.16 1 30 LEU 3.08 -0.10 1 31 TRP -0.05 1.25 1 32 GLU 3.64 -0.55 1 33 LYS 3.99 -0.59 1 34 ALA 2.40 -0.08 1 35 GLN 2.96 -0.54 1 36 ARG 2.39 -0.77 1 37 LEU 0.04 -0.13 1 38 HIS 4.06 -3.04 1 39 LEU 1.25 -0.07 1 42 VAL 5.07 -1.48 1 43 ARG 1.78 -0.13 1 44 LEU 3.65 -0.71 1 45 ALA 3.80 -1.20 1 46 GLU 3.33 -0.22 1 47 LEU 5.48 -2.31 1 49 ALA 3.89 -1.08 1 50 ASP 3.77 -0.16 1 51 LEU 2.61 -0.56 1 52 LYS 3.39 -1.40 1 53 ILE 4.97 -1.32 1 54 GLN 6.22 -2.99 1 55 GLU 2.83 0.82 1 56 ARG 5.02 -1.24 1 57 ASP 4.44 -1.21 1 58 GLU 4.86 -0.72 1 59 LEU 3.98 -0.90 1 60 ALA 3.51 -0.88 1 61 TRP 5.13 -1.29 1 62 LYS 4.22 -0.96 1 63 LYS 3.49 -0.72 1 64 LEU 3.80 -1.01 1 65 LYS 3.18 -2.09 1 66 LEU 3.28 -0.81 1 67 ASP 0.55 0.00 1 69 LEU -0.09 -0.49 1 70 ASP -2.15 2.05 1 71 GLU 2.59 -0.11 1 72 ASP -0.38 -0.35 1 74 GLU 3.10 -0.04 1 75 LYS 5.00 -1.60 1 76 GLU 2.89 -0.46 1 77 ALA 3.80 -1.23 1 78 ARG 3.90 -0.80 1 79 LEU 3.52 -0.44 1 80 ILE 3.95 -0.57 1 81 ARG 4.87 -1.02 1 82 ASN 4.17 -1.36 1 83 LEU 4.64 -1.75 1 84 ASN 4.66 -1.35 1 85 VAL 5.99 -1.30 1 86 ILE 5.71 -0.60 1 87 LEU 4.91 -0.90 1 88 ALA 2.51 -0.65 1 89 LYS 3.13 -0.08 1 90 TYR -0.22 0.37 1 92 LEU -1.34 1.08 1 93 ASP -0.51 -0.24 1 95 LYS 0.40 0.01 1 96 LYS 0.19 0.07 1 97 ASP -0.32 0.30 1 98 ALA 0.16 0.13 1 99 ARG 0.79 -0.26 1 101 GLN -0.00 0.09 1 102 VAL 1.16 0.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5598_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.99 _LACS_plot.Line_1_terminator_val_y_1 0.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 6.24 _LACS_plot.Line_2_terminator_val_y_2 -0.44 _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 76 GLU 2.89 -1.57 0 11 LYS 0.12 -0.04 1 13 SER -0.18 -0.33 1 15 LYS 0.12 -0.03 1 16 ARG 0.82 -0.03 1 17 GLU -0.05 -0.11 1 18 SER 0.17 -0.03 1 20 GLU -1.57 0.00 1 21 GLU 0.65 -0.54 1 22 PHE -2.99 0.03 1 23 ARG 1.02 -0.09 1 24 MET -2.49 0.32 1 25 GLU 3.91 -0.12 1 26 LYS 4.41 -0.18 1 27 LEU 4.70 -0.30 1 28 ASN 4.92 0.07 1 29 GLN 4.62 -0.18 1 30 LEU 3.08 -0.23 1 31 TRP -0.05 -0.16 1 32 GLU 3.64 -0.47 1 33 LYS 3.99 -0.46 1 34 ALA 2.40 -0.57 1 35 GLN 2.96 -0.61 1 36 ARG 2.39 -0.26 1 37 LEU 0.04 -0.14 1 38 HIS 4.06 -0.51 1 39 LEU 1.25 -0.18 1 42 VAL 5.07 -0.08 1 43 ARG 1.78 0.23 1 44 LEU 3.65 -0.26 1 45 ALA 3.80 -0.02 1 46 GLU 3.33 -0.23 1 47 LEU 5.48 -0.64 1 48 HIS 6.24 -1.20 1 49 ALA 3.89 -0.14 1 50 ASP 3.77 -0.04 1 51 LEU 2.61 -0.44 1 52 LYS 3.39 -0.15 1 53 ILE 4.97 -0.44 1 54 GLN 6.22 -0.44 1 55 GLU 2.83 -0.60 1 56 ARG 5.02 -0.31 1 57 ASP 4.44 -0.13 1 58 GLU 4.86 -0.08 1 59 LEU 3.98 -0.18 1 60 ALA 3.51 -0.12 1 61 TRP 5.13 -0.53 1 62 LYS 4.22 -1.27 1 63 LYS 3.49 -0.36 1 64 LEU 3.80 -0.31 1 65 LYS 3.18 -0.57 1 66 LEU 3.28 -0.30 1 67 ASP 0.55 0.06 1 69 LEU -0.09 0.27 1 70 ASP -2.15 0.57 1 71 GLU 2.59 -0.29 1 72 ASP -0.38 0.02 1 74 GLU 3.10 -0.28 1 75 LYS 5.00 -0.23 1 77 ALA 3.80 -0.38 1 78 ARG 3.90 -0.45 1 79 LEU 3.52 -0.33 1 80 ILE 3.95 -0.58 1 81 ARG 4.87 -0.29 1 82 ASN 4.17 -0.32 1 83 LEU 4.64 -0.34 1 84 ASN 4.66 -0.31 1 85 VAL 5.99 -0.41 1 86 ILE 5.71 -0.49 1 87 LEU 4.91 -0.43 1 88 ALA 2.51 -0.12 1 89 LYS 3.13 -0.50 1 90 TYR -0.22 0.02 1 92 LEU -1.34 0.00 1 93 ASP -0.51 -0.14 1 95 LYS 0.40 -0.05 1 96 LYS 0.19 -0.01 1 97 ASP -0.32 -0.07 1 98 ALA 0.16 -0.03 1 99 ARG 0.79 -0.07 1 101 GLN -0.00 0.03 1 102 VAL 1.16 0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5598_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.99 _LACS_plot.Line_1_terminator_val_y_1 -0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.45 _LACS_plot.Line_2_terminator_val_x_2 6.24 _LACS_plot.Line_2_terminator_val_y_2 2.88 _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 13 SER -0.18 3.58 0 102 VAL 1.16 4.59 0 11 LYS 0.12 -0.25 1 15 LYS 0.12 -0.13 1 16 ARG 0.82 0.15 1 17 GLU -0.05 0.04 1 18 SER 0.17 0.35 1 20 GLU -1.57 -0.18 1 21 GLU 0.65 -0.79 1 22 PHE -2.99 0.54 1 23 ARG 1.02 0.12 1 24 MET -2.49 0.06 1 25 GLU 3.91 1.83 1 26 LYS 4.41 1.97 1 27 LEU 4.70 0.49 1 28 ASN 4.92 3.07 1 29 GLN 4.62 3.36 1 30 LEU 3.08 0.17 1 31 TRP -0.05 1.91 1 32 GLU 3.64 2.94 1 33 LYS 3.99 2.06 1 34 ALA 2.40 1.38 1 35 GLN 2.96 2.96 1 36 ARG 2.39 0.95 1 37 LEU 0.04 -1.12 1 38 HIS 4.06 0.87 1 39 LEU 1.25 -1.33 1 42 VAL 5.07 1.39 1 43 ARG 1.78 2.19 1 44 LEU 3.65 1.16 1 45 ALA 3.80 3.48 1 46 GLU 3.33 2.24 1 47 LEU 5.48 0.44 1 48 HIS 6.24 2.68 1 49 ALA 3.89 3.21 1 50 ASP 3.77 3.78 1 51 LEU 2.61 1.26 1 52 LYS 3.39 3.63 1 53 ILE 4.97 0.88 1 54 GLN 6.22 1.79 1 55 GLU 2.83 0.61 1 56 ARG 5.02 3.62 1 57 ASP 4.44 3.40 1 58 GLU 4.86 3.09 1 59 LEU 3.98 2.67 1 60 ALA 3.51 2.90 1 61 TRP 5.13 0.30 1 62 LYS 4.22 1.99 1 63 LYS 3.49 1.38 1 64 LEU 3.80 1.74 1 65 LYS 3.18 4.56 1 66 LEU 3.28 0.72 1 67 ASP 0.55 0.06 1 69 LEU -0.09 -1.41 1 70 ASP -2.15 1.24 1 71 GLU 2.59 1.26 1 72 ASP -0.38 1.34 1 74 GLU 3.10 3.13 1 75 LYS 5.00 3.05 1 76 GLU 2.89 1.05 1 77 ALA 3.80 2.93 1 78 ARG 3.90 1.36 1 79 LEU 3.52 2.36 1 80 ILE 3.95 1.98 1 81 ARG 4.87 2.94 1 82 ASN 4.17 3.28 1 83 LEU 4.64 0.57 1 84 ASN 4.66 3.72 1 85 VAL 5.99 2.23 1 86 ILE 5.71 1.39 1 87 LEU 4.91 1.94 1 88 ALA 2.51 2.71 1 89 LYS 3.13 1.42 1 90 TYR -0.22 -0.88 1 92 LEU -1.34 -1.90 1 93 ASP -0.51 0.11 1 95 LYS 0.40 -0.38 1 96 LYS 0.19 -0.68 1 97 ASP -0.32 -0.30 1 98 ALA 0.16 0.00 1 99 ARG 0.79 -0.09 1 101 GLN -0.00 -1.04 1 stop_ save_