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 bmr25085_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.74 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 4.66 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 HIS -8.74 -0.88 0 10 LEU -1.20 -0.40 1 11 THR -0.28 0.45 1 12 THR 0.64 0.30 1 13 ILE -6.51 -2.49 1 14 SER 0.46 0.39 1 16 HIS 5.28 5.83 1 17 ASP 4.44 2.87 1 18 ALA 3.45 2.64 1 19 GLN 5.06 4.40 1 20 GLU 3.17 2.48 1 21 LEU 3.54 2.86 1 22 ILE 3.46 3.56 1 23 ALA 3.76 2.31 1 24 ARG 0.24 0.02 1 26 ALA -0.14 0.17 1 27 LYS -2.85 -2.38 1 28 LEU -3.79 -1.84 1 29 ILE -1.98 -0.94 1 30 ASP -4.07 -2.19 1 31 ILE -0.13 -0.91 1 32 ARG 0.55 0.55 1 33 ASP -0.73 0.20 1 34 ALA 3.86 3.33 1 35 ASP 4.09 2.80 1 36 GLU 2.84 2.33 1 37 TYR 2.30 3.03 1 38 LEU 2.80 2.34 1 39 ARG 3.33 3.37 1 40 GLU -2.66 -0.31 1 41 HIS -2.41 -0.70 1 42 ILE 1.68 1.80 1 44 GLU 2.69 1.68 1 45 ALA -2.17 -0.12 1 46 ASP -4.78 -0.70 1 47 LEU 0.08 -0.33 1 48 ALA -1.33 -0.66 1 50 LEU 4.09 3.54 1 51 SER 4.77 2.74 1 52 VAL 4.39 3.38 1 53 LEU 3.21 2.50 1 54 GLU 2.09 2.72 1 55 GLN 1.55 2.13 1 56 SER -0.85 0.11 1 58 LEU -2.19 -0.51 1 60 ALA 4.18 3.33 1 61 LYS 2.90 1.69 1 62 LEU -0.35 -1.10 1 63 ARG 2.68 1.43 1 64 HIS -4.10 0.78 1 65 GLU 3.00 3.03 1 66 GLN -3.96 -0.21 1 67 ILE -5.70 -1.31 1 68 ILE -4.15 -2.68 1 69 PHE -4.49 -0.74 1 72 GLN 4.12 4.09 1 73 ALA -3.32 -1.76 1 75 LYS 2.91 2.61 1 76 ARG 3.94 4.01 1 77 THR 5.74 4.11 1 79 ASN 2.13 2.05 1 80 ASN -1.08 -0.12 1 81 ALA 4.26 4.59 1 82 ASP 4.36 3.04 1 83 LYS 3.34 2.66 1 84 LEU 4.91 2.59 1 85 ALA 3.46 2.44 1 86 ALA 2.90 2.07 1 87 ILE 2.83 3.15 1 88 ALA -2.20 -1.10 1 89 ALA 2.64 1.78 1 91 ALA 0.31 0.93 1 92 GLU -1.06 -0.16 1 93 ILE -3.52 -1.77 1 94 PHE -6.70 -2.67 1 95 LEU -3.14 -2.45 1 96 LEU -0.86 0.28 1 97 GLU 1.06 1.99 1 98 ASP 3.68 1.61 1 100 ILE 3.19 2.81 1 101 ASP 6.03 4.15 1 103 TRP 4.22 4.13 1 104 LYS 4.47 3.58 1 105 ARG 3.94 3.51 1 106 ALA 0.58 -0.25 1 108 LEU 4.46 0.08 1 110 VAL -5.59 -2.51 1 111 ALA -2.23 -1.80 1 112 VAL -3.75 -1.97 1 113 ASN -0.15 0.37 1 114 LYS 0.59 1.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25085_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.74 _LACS_plot.Line_1_terminator_val_y_1 5.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.92 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 HIS -8.74 7.86 0 10 LEU -1.20 0.80 1 11 THR -0.28 0.73 1 12 THR 0.64 -0.34 1 13 ILE -6.51 4.02 1 14 SER 0.46 -0.07 1 16 HIS 5.28 0.55 1 17 ASP 4.44 -1.57 1 18 ALA 3.45 -0.81 1 19 GLN 5.06 -0.66 1 20 GLU 3.17 -0.69 1 21 LEU 3.54 -0.68 1 22 ILE 3.46 0.10 1 23 ALA 3.76 -1.45 1 24 ARG 0.24 -0.22 1 26 ALA -0.14 0.31 1 27 LYS -2.85 0.47 1 28 LEU -3.79 1.95 1 29 ILE -1.98 1.04 1 30 ASP -4.07 1.88 1 31 ILE -0.13 -0.78 1 32 ARG 0.55 0.00 1 33 ASP -0.73 0.93 1 34 ALA 3.86 -0.53 1 35 ASP 4.09 -1.29 1 36 GLU 2.84 -0.51 1 37 TYR 2.30 0.73 1 38 LEU 2.80 -0.46 1 39 ARG 3.33 0.04 1 40 GLU -2.66 2.35 1 41 HIS -2.41 1.71 1 42 ILE 1.68 0.12 1 44 GLU 2.69 -1.01 1 45 ALA -2.17 2.05 1 46 ASP -4.78 4.08 1 47 LEU 0.08 -0.41 1 48 ALA -1.33 0.67 1 50 LEU 4.09 -0.55 1 51 SER 4.77 -2.03 1 52 VAL 4.39 -1.01 1 53 LEU 3.21 -0.71 1 54 GLU 2.09 0.63 1 55 GLN 1.55 0.58 1 56 SER -0.85 0.96 1 58 LEU -2.19 1.68 1 60 ALA 4.18 -0.85 1 61 LYS 2.90 -1.21 1 62 LEU -0.35 -0.75 1 63 ARG 2.68 -1.25 1 64 HIS -4.10 4.88 1 65 GLU 3.00 0.03 1 66 GLN -3.96 3.75 1 67 ILE -5.70 4.39 1 68 ILE -4.15 1.47 1 69 PHE -4.49 3.75 1 72 GLN 4.12 -0.03 1 73 ALA -3.32 1.56 1 75 LYS 2.91 -0.30 1 76 ARG 3.94 0.07 1 77 THR 5.74 -1.63 1 79 ASN 2.13 -0.08 1 80 ASN -1.08 0.96 1 81 ALA 4.26 0.33 1 82 ASP 4.36 -1.32 1 83 LYS 3.34 -0.68 1 84 LEU 4.91 -2.32 1 85 ALA 3.46 -1.02 1 86 ALA 2.90 -0.83 1 87 ILE 2.83 0.32 1 88 ALA -2.20 1.10 1 89 ALA 2.64 -0.86 1 91 ALA 0.31 0.62 1 92 GLU -1.06 0.90 1 93 ILE -3.52 1.75 1 94 PHE -6.70 4.03 1 95 LEU -3.14 0.69 1 96 LEU -0.86 1.14 1 97 GLU 1.06 0.93 1 98 ASP 3.68 -2.07 1 100 ILE 3.19 -0.38 1 101 ASP 6.03 -1.88 1 103 TRP 4.22 -0.09 1 104 LYS 4.47 -0.89 1 105 ARG 3.94 -0.43 1 106 ALA 0.58 -0.83 1 108 LEU 4.46 -4.38 1 110 VAL -5.59 3.08 1 111 ALA -2.23 0.43 1 112 VAL -3.75 1.78 1 113 ASN -0.15 0.52 1 114 LYS 0.59 0.96 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25085_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.74 _LACS_plot.Line_1_terminator_val_y_1 0.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 ASP -4.07 -0.83 0 10 LEU -1.20 0.11 1 11 THR -0.28 0.13 1 12 THR 0.64 0.94 1 13 ILE -6.51 0.82 1 14 SER 0.46 -0.01 1 16 HIS 5.28 -0.74 1 17 ASP 4.44 -0.27 1 18 ALA 3.45 -0.54 1 19 GLN 5.06 -0.34 1 20 GLU 3.17 -0.29 1 21 LEU 3.54 -0.45 1 22 ILE 3.46 -0.25 1 23 ALA 3.76 -0.14 1 24 ARG 0.24 0.06 1 26 ALA -0.14 -0.10 1 27 LYS -2.85 -0.01 1 28 LEU -3.79 0.81 1 29 ILE -1.98 0.51 1 31 ILE -0.13 1.08 1 32 ARG 0.55 -0.17 1 33 ASP -0.73 -0.03 1 34 ALA 3.86 -0.36 1 35 ASP 4.09 -0.33 1 36 GLU 2.84 -0.23 1 37 TYR 2.30 -0.46 1 38 LEU 2.80 -0.42 1 39 ARG 3.33 -0.23 1 40 GLU -2.66 0.54 1 41 HIS -2.41 -0.10 1 42 ILE 1.68 -0.48 1 44 GLU 2.69 -0.27 1 45 ALA -2.17 0.16 1 46 ASP -4.78 0.22 1 47 LEU 0.08 0.00 1 48 ALA -1.33 -0.19 1 50 LEU 4.09 -0.46 1 51 SER 4.77 -0.32 1 52 VAL 4.39 -0.29 1 53 LEU 3.21 -0.51 1 54 GLU 2.09 -0.53 1 55 GLN 1.55 -0.06 1 56 SER -0.85 0.18 1 58 LEU -2.19 -0.44 1 60 ALA 4.18 -0.45 1 61 LYS 2.90 -0.15 1 62 LEU -0.35 -0.03 1 63 ARG 2.68 -0.33 1 64 HIS -4.10 -0.13 1 65 GLU 3.00 -0.30 1 66 GLN -3.96 1.14 1 67 ILE -5.70 0.36 1 68 ILE -4.15 0.83 1 69 PHE -4.49 1.19 1 70 HIS -8.74 1.25 1 72 GLN 4.12 -0.12 1 73 ALA -3.32 0.80 1 75 LYS 2.91 -0.16 1 76 ARG 3.94 -0.12 1 77 THR 5.74 -0.74 1 79 ASN 2.13 -0.14 1 80 ASN -1.08 0.42 1 81 ALA 4.26 -0.60 1 82 ASP 4.36 -0.39 1 83 LYS 3.34 -0.27 1 84 LEU 4.91 -0.78 1 85 ALA 3.46 -0.33 1 86 ALA 2.90 -0.18 1 87 ILE 2.83 -0.37 1 88 ALA -2.20 0.15 1 89 ALA 2.64 -0.16 1 91 ALA 0.31 -0.18 1 92 GLU -1.06 -0.12 1 93 ILE -3.52 1.10 1 94 PHE -6.70 0.81 1 95 LEU -3.14 1.02 1 96 LEU -0.86 0.09 1 97 GLU 1.06 -0.45 1 98 ASP 3.68 -0.46 1 100 ILE 3.19 -0.27 1 101 ASP 6.03 -0.20 1 103 TRP 4.22 -0.87 1 104 LYS 4.47 -0.23 1 105 ARG 3.94 -0.29 1 106 ALA 0.58 -0.04 1 108 LEU 4.46 -0.39 1 110 VAL -5.59 0.52 1 111 ALA -2.23 0.23 1 112 VAL -3.75 0.50 1 113 ASN -0.15 0.01 1 114 LYS 0.59 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25085_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.74 _LACS_plot.Line_1_terminator_val_y_1 -3.73 _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 -1.10 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 2.47 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 ARG 0.55 -4.54 0 10 LEU -1.20 -1.10 1 11 THR -0.28 -0.83 1 12 THR 0.64 -0.54 1 13 ILE -6.51 -3.02 1 16 HIS 5.28 4.02 1 17 ASP 4.44 2.80 1 18 ALA 3.45 0.46 1 19 GLN 5.06 2.50 1 20 GLU 3.17 1.75 1 21 LEU 3.54 3.17 1 22 ILE 3.46 3.71 1 23 ALA 3.76 1.30 1 24 ARG 0.24 0.15 1 26 ALA -0.14 -1.54 1 27 LYS -2.85 -2.62 1 28 LEU -3.79 -3.52 1 29 ILE -1.98 -3.26 1 30 ASP -4.07 -0.26 1 31 ILE -0.13 2.52 1 33 ASP -0.73 1.63 1 34 ALA 3.86 1.59 1 35 ASP 4.09 2.44 1 36 GLU 2.84 1.87 1 37 TYR 2.30 1.09 1 38 LEU 2.80 1.22 1 39 ARG 3.33 0.71 1 40 GLU -2.66 -3.10 1 41 HIS -2.41 -2.15 1 44 GLU 2.69 -0.33 1 45 ALA -2.17 0.24 1 46 ASP -4.78 -2.22 1 47 LEU 0.08 -1.44 1 50 LEU 4.09 -0.73 1 51 SER 4.77 2.51 1 52 VAL 4.39 2.03 1 53 LEU 3.21 2.40 1 54 GLU 2.09 0.43 1 55 GLN 1.55 1.60 1 56 SER -0.85 0.26 1 60 ALA 4.18 2.68 1 61 LYS 2.90 0.10 1 62 LEU -0.35 -3.01 1 63 ARG 2.68 -0.76 1 64 HIS -4.10 -0.25 1 65 GLU 3.00 0.16 1 66 GLN -3.96 -1.68 1 67 ILE -5.70 -3.05 1 68 ILE -4.15 -1.21 1 69 PHE -4.49 0.33 1 70 HIS -8.74 -2.99 1 72 GLN 4.12 -1.56 1 73 ALA -3.32 -0.18 1 75 LYS 2.91 1.34 1 76 ARG 3.94 4.64 1 77 THR 5.74 1.73 1 79 ASN 2.13 0.39 1 80 ASN -1.08 -0.82 1 81 ALA 4.26 0.11 1 82 ASP 4.36 2.80 1 83 LYS 3.34 2.23 1 84 LEU 4.91 0.47 1 85 ALA 3.46 1.74 1 86 ALA 2.90 3.00 1 87 ILE 2.83 0.90 1 88 ALA -2.20 -1.65 1 91 ALA 0.31 -1.31 1 92 GLU -1.06 -1.51 1 93 ILE -3.52 -1.94 1 94 PHE -6.70 -1.35 1 95 LEU -3.14 -0.97 1 96 LEU -0.86 -0.91 1 97 GLU 1.06 -1.40 1 98 ASP 3.68 -0.14 1 100 ILE 3.19 0.13 1 101 ASP 6.03 3.87 1 103 TRP 4.22 0.96 1 104 LYS 4.47 5.41 1 105 ARG 3.94 1.37 1 106 ALA 0.58 -1.00 1 110 VAL -5.59 -2.00 1 111 ALA -2.23 -1.61 1 112 VAL -3.75 -0.72 1 113 ASN -0.15 -1.32 1 stop_ save_