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 bmr11140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.48 _LACS_plot.Line_1_terminator_val_y_1 -4.66 _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 -3.84 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 2.98 _LACS_plot.Y_axis_chem_shift_offset 2.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 HIS 3.76 3.30 0 10 GLU 0.08 -1.99 1 11 LYS 0.14 -2.41 1 12 LEU 0.26 -2.08 1 14 GLN 0.06 -2.07 1 15 ALA 0.18 -2.09 1 16 LEU 0.50 -2.04 1 17 THR 0.50 -1.93 1 18 GLU -0.04 -2.12 1 19 VAL 1.13 -1.59 1 20 TYR 0.22 -2.31 1 21 ALA 0.04 -2.23 1 22 LYS 0.51 -2.04 1 23 ALA 0.09 -2.18 1 24 ASN 0.18 -2.16 1 25 SER -0.13 -2.21 1 26 PHE -2.17 -2.74 1 27 THR -2.50 -2.88 1 28 VAL -2.84 -3.97 1 29 SER -4.13 -4.67 1 30 SER -3.21 -3.45 1 31 VAL -4.35 -4.04 1 32 ALA 0.80 -2.11 1 33 ALA -3.74 -3.72 1 35 SER 4.17 0.80 1 36 TRP 2.73 -1.70 1 37 LEU -0.16 -2.84 1 39 ARG 4.52 0.01 1 40 PHE 1.68 -0.58 1 41 ILE 3.32 0.17 1 42 ILE 2.71 0.45 1 44 LYS 2.50 -0.64 1 45 LYS 1.79 -2.30 1 47 GLN 2.87 -0.10 1 48 ASN 3.10 -0.21 1 49 LEU 2.34 -0.44 1 50 ALA 3.34 -0.10 1 51 LYS 3.86 0.61 1 52 ILE 4.43 1.33 1 53 THR 4.01 0.72 1 54 GLN 3.33 0.24 1 55 GLN 1.21 -0.97 1 56 MET -0.45 -2.47 1 58 LYS 0.96 -2.20 1 59 VAL -0.48 -3.14 1 60 HIS -1.94 -2.45 1 61 ILE -1.63 -3.19 1 62 GLU -5.25 -4.19 1 63 PHE -1.49 -3.78 1 64 THR 0.62 -2.09 1 65 GLU 2.66 -0.15 1 67 GLU -3.27 -3.69 1 68 ASP 1.25 -2.15 1 69 LYS -4.03 -3.08 1 70 ILE -3.17 -3.39 1 71 THR -0.43 -2.24 1 72 LEU -4.76 -3.42 1 73 GLU -6.48 -4.87 1 76 THR 6.07 3.27 1 77 GLU 4.23 0.60 1 78 ASP 1.99 -0.02 1 79 VAL 6.74 2.81 1 80 SER 4.89 1.37 1 81 VAL 4.25 1.32 1 82 ALA 3.10 0.42 1 83 GLN 6.29 2.12 1 84 GLU 3.37 0.60 1 85 GLN 4.20 0.98 1 86 ILE 5.17 1.37 1 87 GLU 4.30 1.55 1 89 MET 3.08 1.39 1 90 VAL 6.02 2.77 1 91 LYS 4.71 1.28 1 92 ASP 2.63 0.58 1 93 LEU 1.75 0.16 1 94 ILE 4.32 1.36 1 95 ASN 1.72 -0.66 1 96 ARG 1.09 -1.40 1 97 SER 0.15 -1.88 1 100 SER 0.10 -2.30 1 101 SER -0.22 -2.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.48 _LACS_plot.Line_1_terminator_val_y_1 1.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.84 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 -3.76 _LACS_plot.Y_axis_chem_shift_offset 2.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 HIS 3.76 -0.46 0 10 GLU 0.08 -2.07 1 11 LYS 0.14 -2.55 1 12 LEU 0.26 -2.34 1 14 GLN 0.06 -2.13 1 15 ALA 0.18 -2.27 1 16 LEU 0.50 -2.54 1 17 THR 0.50 -2.43 1 18 GLU -0.04 -2.08 1 19 VAL 1.13 -2.72 1 20 TYR 0.22 -2.53 1 21 ALA 0.04 -2.27 1 22 LYS 0.51 -2.55 1 23 ALA 0.09 -2.27 1 24 ASN 0.18 -2.34 1 25 SER -0.13 -2.08 1 26 PHE -2.17 -0.57 1 27 THR -2.50 -0.38 1 28 VAL -2.84 -1.13 1 29 SER -4.13 -0.54 1 30 SER -3.21 -0.24 1 31 VAL -4.35 0.31 1 32 ALA 0.80 -2.91 1 33 ALA -3.74 0.02 1 35 SER 4.17 -3.37 1 36 TRP 2.73 -4.43 1 37 LEU -0.16 -2.68 1 39 ARG 4.52 -4.51 1 40 PHE 1.68 -2.26 1 41 ILE 3.32 -3.15 1 42 ILE 2.71 -2.26 1 44 LYS 2.50 -3.14 1 45 LYS 1.79 -4.09 1 47 GLN 2.87 -2.97 1 48 ASN 3.10 -3.31 1 49 LEU 2.34 -2.78 1 50 ALA 3.34 -3.44 1 51 LYS 3.86 -3.25 1 52 ILE 4.43 -3.10 1 53 THR 4.01 -3.29 1 54 GLN 3.33 -3.09 1 55 GLN 1.21 -2.18 1 56 MET -0.45 -2.02 1 58 LYS 0.96 -3.16 1 59 VAL -0.48 -2.66 1 60 HIS -1.94 -0.51 1 61 ILE -1.63 -1.56 1 62 GLU -5.25 1.06 1 63 PHE -1.49 -2.29 1 64 THR 0.62 -2.71 1 65 GLU 2.66 -2.81 1 67 GLU -3.27 -0.42 1 68 ASP 1.25 -3.40 1 69 LYS -4.03 0.95 1 70 ILE -3.17 -0.22 1 71 THR -0.43 -1.81 1 72 LEU -4.76 1.34 1 73 GLU -6.48 1.61 1 76 THR 6.07 -2.80 1 77 GLU 4.23 -3.63 1 78 ASP 1.99 -2.01 1 79 VAL 6.74 -3.93 1 80 SER 4.89 -3.52 1 81 VAL 4.25 -2.93 1 82 ALA 3.10 -2.68 1 83 GLN 6.29 -4.17 1 84 GLU 3.37 -2.77 1 85 GLN 4.20 -3.22 1 86 ILE 5.17 -3.80 1 87 GLU 4.30 -2.75 1 89 MET 3.08 -1.69 1 90 VAL 6.02 -3.25 1 91 LYS 4.71 -3.43 1 92 ASP 2.63 -2.05 1 93 LEU 1.75 -1.59 1 94 ILE 4.32 -2.96 1 95 ASN 1.72 -2.38 1 96 ARG 1.09 -2.49 1 97 SER 0.15 -2.03 1 100 SER 0.10 -2.40 1 101 SER -0.22 -2.03 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.48 _LACS_plot.Line_1_terminator_val_y_1 0.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 35 SER 4.17 -1.80 0 10 GLU 0.08 -0.27 1 11 LYS 0.14 -0.11 1 12 LEU 0.26 -0.10 1 14 GLN 0.06 -0.14 1 15 ALA 0.18 -0.14 1 16 LEU 0.50 -0.10 1 17 THR 0.50 -0.18 1 18 GLU -0.04 -0.19 1 19 VAL 1.13 -0.28 1 20 TYR 0.22 -0.11 1 21 ALA 0.04 -0.17 1 22 LYS 0.51 -0.20 1 23 ALA 0.09 -0.14 1 24 ASN 0.18 -0.09 1 25 SER -0.13 -0.06 1 26 PHE -2.17 0.12 1 27 THR -2.50 0.14 1 28 VAL -2.84 0.86 1 29 SER -4.13 0.24 1 30 SER -3.21 0.87 1 31 VAL -4.35 -0.03 1 32 ALA 0.80 -0.04 1 33 ALA -3.74 -0.15 1 36 TRP 2.73 -0.26 1 37 LEU -0.16 -0.05 1 38 HIS 3.76 -0.92 1 39 ARG 4.52 -0.47 1 40 PHE 1.68 -0.25 1 41 ILE 3.32 -0.46 1 42 ILE 2.71 -0.52 1 44 LYS 2.50 -0.24 1 45 LYS 1.79 -0.20 1 47 GLN 2.87 -0.25 1 48 ASN 3.10 -0.21 1 49 LEU 2.34 -0.31 1 50 ALA 3.34 -0.25 1 51 LYS 3.86 -0.36 1 52 ILE 4.43 -0.45 1 53 THR 4.01 -0.44 1 54 GLN 3.33 -0.37 1 55 GLN 1.21 -0.22 1 56 MET -0.45 0.12 1 58 LYS 0.96 -0.07 1 59 VAL -0.48 0.27 1 60 HIS -1.94 0.06 1 61 ILE -1.63 0.45 1 62 GLU -5.25 0.18 1 63 PHE -1.49 -0.01 1 64 THR 0.62 -0.08 1 65 GLU 2.66 -0.64 1 67 GLU -3.27 0.16 1 68 ASP 1.25 0.17 1 69 LYS -4.03 0.69 1 70 ILE -3.17 0.03 1 71 THR -0.43 0.39 1 72 LEU -4.76 0.75 1 73 GLU -6.48 1.03 1 76 THR 6.07 -0.90 1 77 GLU 4.23 -0.39 1 78 ASP 1.99 -0.28 1 79 VAL 6.74 -1.04 1 80 SER 4.89 -0.47 1 81 VAL 4.25 -0.42 1 82 ALA 3.10 -0.50 1 83 GLN 6.29 -0.98 1 84 GLU 3.37 -0.35 1 85 GLN 4.20 -0.36 1 86 ILE 5.17 -0.51 1 87 GLU 4.30 -0.63 1 89 MET 3.08 -0.37 1 90 VAL 6.02 -0.85 1 91 LYS 4.71 -0.52 1 92 ASP 2.63 -0.30 1 93 LEU 1.75 -0.40 1 94 ILE 4.32 -0.32 1 95 ASN 1.72 -0.16 1 96 ARG 1.09 -0.06 1 97 SER 0.15 -0.08 1 100 SER 0.10 -0.13 1 101 SER -0.22 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11140_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.48 _LACS_plot.Line_1_terminator_val_y_1 -5.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.43 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 0.65 _LACS_plot.Y_axis_chem_shift_offset 2.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 THR -2.50 -6.01 0 79 VAL 6.74 -1.62 0 73 GLU -6.48 -3.77 0 10 GLU 0.08 -2.27 1 11 LYS 0.14 -2.43 1 12 LEU 0.26 -1.90 1 14 GLN 0.06 -2.55 1 15 ALA 0.18 -2.27 1 16 LEU 0.50 -2.21 1 17 THR 0.50 -2.35 1 18 GLU -0.04 -2.58 1 19 VAL 1.13 -2.43 1 20 TYR 0.22 -2.53 1 21 ALA 0.04 -2.53 1 22 LYS 0.51 -2.25 1 23 ALA 0.09 -2.55 1 24 ASN 0.18 -2.36 1 26 PHE -2.17 -3.29 1 28 VAL -2.84 -2.67 1 29 SER -4.13 -3.96 1 30 SER -3.21 -4.02 1 31 VAL -4.35 -4.00 1 32 ALA 0.80 -3.62 1 33 ALA -3.74 -6.10 1 35 SER 4.17 0.12 1 36 TRP 2.73 -1.64 1 37 LEU -0.16 -1.04 1 38 HIS 3.76 1.08 1 39 ARG 4.52 -0.65 1 40 PHE 1.68 -1.08 1 41 ILE 3.32 -2.51 1 42 ILE 2.71 -0.68 1 45 LYS 1.79 -2.06 1 47 GLN 2.87 -1.14 1 48 ASN 3.10 -0.52 1 49 LEU 2.34 -1.60 1 50 ALA 3.34 -0.63 1 51 LYS 3.86 0.12 1 52 ILE 4.43 -0.90 1 53 THR 4.01 -0.21 1 54 GLN 3.33 -0.70 1 55 GLN 1.21 -2.12 1 56 MET -0.45 -3.61 1 58 LYS 0.96 -3.21 1 59 VAL -0.48 -4.30 1 60 HIS -1.94 -2.36 1 61 ILE -1.63 -4.57 1 62 GLU -5.25 -4.87 1 63 PHE -1.49 -3.14 1 64 THR 0.62 -2.65 1 65 GLU 2.66 -1.11 1 67 GLU -3.27 -3.41 1 68 ASP 1.25 -1.83 1 69 LYS -4.03 -5.41 1 70 ILE -3.17 -3.34 1 71 THR -0.43 -4.19 1 72 LEU -4.76 -5.31 1 76 THR 6.07 -1.31 1 77 GLU 4.23 -0.92 1 78 ASP 1.99 -0.65 1 80 SER 4.89 0.01 1 81 VAL 4.25 -0.06 1 82 ALA 3.10 -1.35 1 83 GLN 6.29 -0.99 1 84 GLU 3.37 1.05 1 85 GLN 4.20 1.41 1 86 ILE 5.17 -1.02 1 87 GLU 4.30 1.11 1 89 MET 3.08 -0.13 1 90 VAL 6.02 -1.62 1 91 LYS 4.71 -0.19 1 92 ASP 2.63 -0.41 1 93 LEU 1.75 -0.02 1 94 ILE 4.32 -0.74 1 95 ASN 1.72 -1.18 1 96 ARG 1.09 -2.05 1 97 SER 0.15 -2.71 1 100 SER 0.10 -2.34 1 101 SER -0.22 -3.06 1 stop_ save_