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 bmr17783_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.02 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.30 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 4.26 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 TYR -4.74 0.29 0 10 HIS -0.17 0.95 1 12 SER 0.06 0.19 1 13 ASN 0.52 0.29 1 14 ASN 0.51 0.28 1 15 ASN 1.17 0.89 1 17 SER 2.29 1.46 1 18 LEU 2.37 2.05 1 19 LYS 3.30 2.99 1 20 SER -0.26 -0.16 1 21 ALA 0.04 0.07 1 23 SER 3.17 2.59 1 24 SER -0.21 -0.05 1 25 HIS -1.77 1.08 1 27 THR -3.75 -2.96 1 28 LEU -4.47 -2.00 1 29 GLN 2.41 0.24 1 30 LEU 0.30 1.00 1 31 SER -1.70 -1.14 1 32 SER -2.57 -1.02 1 33 SER -1.76 -1.02 1 34 SER 0.83 0.77 1 35 ASN -2.67 -0.65 1 36 TYR 5.16 4.07 1 37 ASP 4.22 3.30 1 38 ASN 3.49 2.35 1 39 LEU 2.13 2.46 1 40 ASN 3.00 3.43 1 42 TRP 5.71 3.99 1 43 ALA 4.51 2.50 1 44 LYS 3.54 2.79 1 45 LYS 3.87 2.84 1 46 GLU 0.64 -1.58 1 47 ASN 2.44 0.60 1 48 LEU 0.50 0.02 1 49 LYS -2.32 -0.87 1 50 ASN 1.31 0.34 1 51 TYR -3.73 -2.12 1 52 VAL -4.17 -0.49 1 53 VAL -1.38 -1.54 1 54 TYR -5.63 -2.77 1 55 GLU -4.22 -1.46 1 56 THR -3.45 -3.07 1 57 THR -3.06 -1.28 1 58 ARG -2.06 -0.49 1 59 ASN 2.83 1.14 1 61 GLN -2.92 -1.01 1 63 TRP -5.99 -1.42 1 64 TYR -2.76 -1.13 1 65 VAL -2.17 -0.94 1 66 LEU -3.96 -1.60 1 67 VAL -5.16 -4.37 1 68 SER -2.30 -0.09 1 70 VAL -1.34 0.00 1 71 TYR -5.36 -1.62 1 72 ALA 0.84 0.76 1 73 SER -5.24 -2.27 1 74 LYS 4.80 3.34 1 75 GLU 4.63 3.48 1 76 GLU 2.23 2.76 1 77 ALA 3.30 1.86 1 78 LYS 4.61 3.34 1 79 LYS 3.58 2.78 1 80 ALA 1.90 1.27 1 81 VAL 5.70 4.53 1 82 SER 2.96 2.45 1 83 THR -0.04 -0.04 1 84 LEU 1.19 0.20 1 86 ALA 4.77 4.01 1 87 ASP 3.48 2.74 1 88 VAL 4.29 2.68 1 89 GLN 5.90 5.01 1 90 ALA 2.21 1.44 1 91 LYS 0.79 -0.83 1 92 ASN 4.38 2.76 1 94 TRP -5.42 -3.51 1 95 ALA -1.23 -0.86 1 96 LYS -6.02 -1.64 1 98 LEU 4.73 2.27 1 99 ARG 4.03 3.09 1 100 GLN 2.25 2.03 1 101 VAL 3.60 3.25 1 102 GLN 5.52 3.18 1 103 ALA 2.55 1.77 1 104 ASP -0.38 1.02 1 105 LEU 0.21 -0.11 1 106 LYS 1.36 1.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17783_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.02 _LACS_plot.Line_1_terminator_val_y_1 3.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.70 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 -1.64 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 TYR -4.74 5.03 0 10 HIS -0.17 1.12 1 12 SER 0.06 0.13 1 13 ASN 0.52 -0.23 1 14 ASN 0.51 -0.23 1 15 ASN 1.17 -0.28 1 17 SER 2.29 -0.83 1 18 LEU 2.37 -0.32 1 19 LYS 3.30 -0.31 1 20 SER -0.26 0.10 1 21 ALA 0.04 0.03 1 23 SER 3.17 -0.58 1 24 SER -0.21 0.16 1 25 HIS -1.77 2.85 1 27 THR -3.75 0.79 1 28 LEU -4.47 2.47 1 29 GLN 2.41 -2.17 1 30 LEU 0.30 0.70 1 31 SER -1.70 0.56 1 32 SER -2.57 1.55 1 33 SER -1.76 0.74 1 34 SER 0.83 -0.06 1 35 ASN -2.67 2.02 1 36 TYR 5.16 -1.09 1 37 ASP 4.22 -0.92 1 38 ASN 3.49 -1.14 1 39 LEU 2.13 0.33 1 40 ASN 3.00 0.43 1 42 TRP 5.71 -1.72 1 43 ALA 4.51 -2.01 1 44 LYS 3.54 -0.75 1 45 LYS 3.87 -1.03 1 46 GLU 0.64 -2.22 1 47 ASN 2.44 -1.84 1 48 LEU 0.50 -0.48 1 49 LYS -2.32 1.45 1 50 ASN 1.31 -0.97 1 51 TYR -3.73 1.61 1 52 VAL -4.17 3.68 1 53 VAL -1.38 -0.16 1 54 TYR -5.63 2.86 1 55 GLU -4.22 2.76 1 56 THR -3.45 0.38 1 57 THR -3.06 1.78 1 58 ARG -2.06 1.57 1 59 ASN 2.83 -1.69 1 61 GLN -2.92 1.91 1 63 TRP -5.99 4.57 1 64 TYR -2.76 1.63 1 65 VAL -2.17 1.23 1 66 LEU -3.96 2.36 1 67 VAL -5.16 0.79 1 68 SER -2.30 2.21 1 70 VAL -1.34 1.34 1 71 TYR -5.36 3.74 1 72 ALA 0.84 -0.08 1 73 SER -5.24 2.97 1 74 LYS 4.80 -1.46 1 75 GLU 4.63 -1.15 1 76 GLU 2.23 0.53 1 77 ALA 3.30 -1.44 1 78 LYS 4.61 -1.27 1 79 LYS 3.58 -0.80 1 80 ALA 1.90 -0.63 1 81 VAL 5.70 -1.17 1 82 SER 2.96 -0.51 1 83 THR -0.04 0.00 1 84 LEU 1.19 -0.99 1 86 ALA 4.77 -0.76 1 87 ASP 3.48 -0.74 1 88 VAL 4.29 -1.61 1 89 GLN 5.90 -0.89 1 90 ALA 2.21 -0.77 1 91 LYS 0.79 -1.62 1 92 ASN 4.38 -1.62 1 94 TRP -5.42 1.91 1 95 ALA -1.23 0.37 1 96 LYS -6.02 4.38 1 98 LEU 4.73 -2.46 1 99 ARG 4.03 -0.94 1 100 GLN 2.25 -0.22 1 101 VAL 3.60 -0.35 1 102 GLN 5.52 -2.34 1 103 ALA 2.55 -0.78 1 104 ASP -0.38 1.40 1 105 LEU 0.21 -0.32 1 106 LYS 1.36 0.38 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17783_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.02 _LACS_plot.Line_1_terminator_val_y_1 0.62 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 VAL -5.16 1.72 0 77 ALA 3.30 -1.73 0 72 ALA 0.84 -1.55 0 10 HIS -0.17 -0.15 1 12 SER 0.06 -0.03 1 13 ASN 0.52 -0.01 1 14 ASN 0.51 -0.01 1 15 ASN 1.17 -0.21 1 17 SER 2.29 -0.24 1 18 LEU 2.37 -0.34 1 19 LYS 3.30 -0.51 1 20 SER -0.26 -0.10 1 21 ALA 0.04 -0.26 1 23 SER 3.17 -0.64 1 24 SER -0.21 -0.09 1 25 HIS -1.77 0.12 1 26 TYR -4.74 0.44 1 27 THR -3.75 0.68 1 28 LEU -4.47 0.65 1 29 GLN 2.41 0.21 1 30 LEU 0.30 0.03 1 31 SER -1.70 0.02 1 32 SER -2.57 0.56 1 33 SER -1.76 -0.36 1 34 SER 0.83 -0.23 1 35 ASN -2.67 0.18 1 36 TYR 5.16 -1.58 1 37 ASP 4.22 -0.50 1 38 ASN 3.49 -0.44 1 39 LEU 2.13 -0.24 1 40 ASN 3.00 -0.60 1 42 TRP 5.71 -0.43 1 43 ALA 4.51 -1.33 1 44 LYS 3.54 -0.29 1 45 LYS 3.87 -0.41 1 46 GLU 0.64 -0.43 1 47 ASN 2.44 -0.47 1 48 LEU 0.50 -0.22 1 49 LYS -2.32 0.24 1 50 ASN 1.31 -0.23 1 51 TYR -3.73 0.84 1 52 VAL -4.17 0.18 1 53 VAL -1.38 1.30 1 54 TYR -5.63 0.87 1 55 GLU -4.22 0.36 1 56 THR -3.45 0.50 1 57 THR -3.06 0.79 1 58 ARG -2.06 -0.03 1 59 ASN 2.83 -0.43 1 61 GLN -2.92 0.35 1 63 TRP -5.99 -0.15 1 64 TYR -2.76 0.67 1 65 VAL -2.17 -0.26 1 66 LEU -3.96 1.08 1 68 SER -2.30 0.38 1 70 VAL -1.34 0.36 1 71 TYR -5.36 0.25 1 73 SER -5.24 0.30 1 74 LYS 4.80 -1.43 1 75 GLU 4.63 -0.54 1 76 GLU 2.23 -0.52 1 78 LYS 4.61 -0.55 1 79 LYS 3.58 -0.35 1 80 ALA 1.90 -0.18 1 81 VAL 5.70 -0.76 1 82 SER 2.96 -0.33 1 83 THR -0.04 0.11 1 84 LEU 1.19 -0.04 1 86 ALA 4.77 -0.37 1 87 ASP 3.48 -0.18 1 88 VAL 4.29 -0.03 1 89 GLN 5.90 -0.70 1 90 ALA 2.21 -0.06 1 91 LYS 0.79 0.01 1 92 ASN 4.38 -0.51 1 94 TRP -5.42 0.36 1 95 ALA -1.23 0.43 1 96 LYS -6.02 0.41 1 98 LEU 4.73 -0.54 1 99 ARG 4.03 -0.28 1 100 GLN 2.25 -0.13 1 101 VAL 3.60 -0.57 1 102 GLN 5.52 -0.78 1 103 ALA 2.55 -0.16 1 104 ASP -0.38 0.07 1 105 LEU 0.21 -0.04 1 106 LYS 1.36 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17783_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.02 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 2.11 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 106 LYS 1.36 5.07 0 10 HIS -0.17 1.19 1 12 SER 0.06 -0.06 1 13 ASN 0.52 -0.08 1 14 ASN 0.51 0.20 1 15 ASN 1.17 1.19 1 17 SER 2.29 1.27 1 18 LEU 2.37 0.80 1 19 LYS 3.30 0.36 1 20 SER -0.26 -0.86 1 21 ALA 0.04 -1.85 1 23 SER 3.17 -0.37 1 24 SER -0.21 0.55 1 25 HIS -1.77 -0.53 1 26 TYR -4.74 -1.81 1 27 THR -3.75 -1.80 1 28 LEU -4.47 -1.49 1 29 GLN 2.41 -0.56 1 30 LEU 0.30 -0.35 1 31 SER -1.70 -2.77 1 32 SER -2.57 -2.09 1 33 SER -1.76 -2.96 1 34 SER 0.83 -0.78 1 35 ASN -2.67 -2.23 1 36 TYR 5.16 0.62 1 37 ASP 4.22 3.50 1 38 ASN 3.49 2.52 1 39 LEU 2.13 0.14 1 40 ASN 3.00 2.05 1 42 TRP 5.71 0.41 1 43 ALA 4.51 1.39 1 44 LYS 3.54 4.23 1 45 LYS 3.87 1.72 1 46 GLU 0.64 -1.96 1 47 ASN 2.44 -0.44 1 48 LEU 0.50 -0.54 1 49 LYS -2.32 -0.12 1 50 ASN 1.31 -1.76 1 51 TYR -3.73 -2.35 1 52 VAL -4.17 -2.01 1 53 VAL -1.38 -0.50 1 54 TYR -5.63 -3.76 1 55 GLU -4.22 -1.59 1 56 THR -3.45 -1.15 1 57 THR -3.06 -0.73 1 58 ARG -2.06 -0.23 1 59 ASN 2.83 0.24 1 61 GLN -2.92 -1.67 1 63 TRP -5.99 -4.00 1 64 TYR -2.76 -2.36 1 65 VAL -2.17 -3.62 1 67 VAL -5.16 -1.37 1 68 SER -2.30 0.09 1 70 VAL -1.34 -1.67 1 71 TYR -5.36 -0.35 1 72 ALA 0.84 -1.89 1 73 SER -5.24 -0.91 1 74 LYS 4.80 1.44 1 75 GLU 4.63 2.54 1 76 GLU 2.23 1.96 1 77 ALA 3.30 -0.04 1 78 LYS 4.61 4.10 1 79 LYS 3.58 1.75 1 80 ALA 1.90 2.32 1 81 VAL 5.70 0.91 1 82 SER 2.96 0.21 1 83 THR -0.04 0.38 1 84 LEU 1.19 -1.10 1 86 ALA 4.77 2.72 1 87 ASP 3.48 1.78 1 88 VAL 4.29 2.38 1 89 GLN 5.90 3.17 1 90 ALA 2.21 0.15 1 91 LYS 0.79 -0.77 1 92 ASN 4.38 -2.53 1 94 TRP -5.42 -2.49 1 95 ALA -1.23 -3.63 1 96 LYS -6.02 -1.35 1 98 LEU 4.73 1.44 1 99 ARG 4.03 1.84 1 100 GLN 2.25 1.59 1 101 VAL 3.60 0.74 1 102 GLN 5.52 1.99 1 103 ALA 2.55 0.74 1 104 ASP -0.38 0.58 1 105 LEU 0.21 -1.48 1 stop_ save_