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 bmr10242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.79 _LACS_plot.Line_2_terminator_val_x_2 9.71 _LACS_plot.Line_2_terminator_val_y_2 7.69 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 HIS 6.69 6.34 0 92 GLU 8.98 7.36 0 10 LEU 9.71 6.00 1 11 LYS 3.11 -0.55 1 12 GLN -2.91 0.59 1 13 LEU 0.09 0.04 1 14 ASP 0.35 0.57 1 16 ILE -0.11 -0.40 1 17 HIS -3.12 0.35 1 18 VAL 0.40 -0.17 1 19 THR -0.15 0.71 1 20 ILE -0.74 -0.94 1 21 LEU -3.92 -2.37 1 22 HIS -1.02 0.88 1 23 LYS -4.86 -1.89 1 24 GLU -1.61 -1.00 1 25 GLU 2.56 1.97 1 27 ALA -1.34 -0.23 1 29 LEU 1.66 1.20 1 31 PHE -3.14 -2.00 1 32 SER -6.67 -3.30 1 33 LEU -4.48 -1.48 1 34 ALA -5.50 -2.08 1 37 ALA 3.09 2.81 1 38 ASP 0.94 -1.47 1 39 LEU -3.04 -2.15 1 40 GLU 2.85 2.47 1 41 ASN 0.71 -0.78 1 42 LYS 0.35 0.37 1 43 VAL -0.79 -0.87 1 44 ILE 1.87 -1.15 1 45 THR -7.23 -3.27 1 46 VAL 2.16 0.86 1 47 HIS 0.31 2.76 1 48 ARG -4.72 -1.62 1 49 VAL 0.32 -0.32 1 50 PHE 1.54 -1.00 1 52 ASN 2.41 1.62 1 54 LEU 3.22 3.21 1 55 ALA 3.09 2.33 1 56 SER 3.49 2.68 1 57 GLN 3.26 2.66 1 58 GLU 3.54 2.96 1 60 THR 3.46 2.99 1 61 ILE 3.41 1.84 1 62 GLN -5.14 -2.34 1 63 LYS 2.55 1.71 1 65 ASN 0.70 -0.05 1 66 GLU -1.74 -0.74 1 67 VAL 1.49 -0.34 1 68 LEU 1.90 1.89 1 69 SER -1.40 -0.69 1 70 ILE -2.59 -0.20 1 71 ASN 3.63 0.99 1 73 LYS -0.52 -1.48 1 74 SER -0.27 -0.27 1 75 LEU 0.45 -1.12 1 76 LYS 3.23 1.81 1 78 THR -0.80 -0.01 1 79 THR -1.29 -0.08 1 81 HIS 4.64 5.21 1 82 ASP 4.53 2.95 1 83 ALA 4.11 3.13 1 84 LEU 4.07 2.83 1 85 ALA 4.01 2.71 1 86 ILE 4.83 4.13 1 87 LEU 3.18 3.12 1 88 ARG 4.23 3.38 1 89 GLN 4.25 3.01 1 90 ALA 1.52 0.44 1 91 ARG 3.09 2.57 1 94 ARG 1.42 0.97 1 95 GLN -4.47 -1.49 1 96 ALA -7.32 -2.15 1 97 VAL -1.27 -0.76 1 98 ILE -2.93 -1.12 1 99 VAL -0.14 -0.71 1 100 THR -6.92 -2.75 1 101 ARG -4.91 -1.17 1 102 LYS 0.18 0.35 1 103 LEU -0.87 -0.34 1 104 THR -0.28 -0.32 1 106 GLU -0.10 0.14 1 107 ALA -0.59 -0.30 1 108 MET -0.25 -0.04 1 110 ASP -0.09 -0.11 1 111 LEU 0.52 0.48 1 112 ASN 0.29 0.51 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 4.57 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 9.71 _LACS_plot.Line_2_terminator_val_y_2 -2.02 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 HIS 6.69 -0.35 0 92 GLU 8.98 -1.62 0 10 LEU 9.71 -3.71 1 11 LYS 3.11 -3.66 1 12 GLN -2.91 3.50 1 13 LEU 0.09 -0.05 1 14 ASP 0.35 0.22 1 16 ILE -0.11 -0.29 1 17 HIS -3.12 3.47 1 18 VAL 0.40 -0.57 1 19 THR -0.15 0.86 1 20 ILE -0.74 -0.20 1 21 LEU -3.92 1.55 1 22 HIS -1.02 1.90 1 23 LYS -4.86 2.97 1 24 GLU -1.61 0.61 1 25 GLU 2.56 -0.59 1 27 ALA -1.34 1.11 1 29 LEU 1.66 -0.46 1 31 PHE -3.14 1.14 1 32 SER -6.67 3.37 1 33 LEU -4.48 3.00 1 34 ALA -5.50 3.42 1 37 ALA 3.09 -0.28 1 38 ASP 0.94 -2.41 1 39 LEU -3.04 0.89 1 40 GLU 2.85 -0.38 1 41 ASN 0.71 -1.49 1 42 LYS 0.35 0.02 1 43 VAL -0.79 -0.08 1 44 ILE 1.87 -3.02 1 45 THR -7.23 3.96 1 46 VAL 2.16 -1.30 1 47 HIS 0.31 2.45 1 48 ARG -4.72 3.10 1 49 VAL 0.32 -0.64 1 50 PHE 1.54 -2.54 1 52 ASN 2.41 -0.79 1 54 LEU 3.22 -0.01 1 55 ALA 3.09 -0.76 1 56 SER 3.49 -0.81 1 57 GLN 3.26 -0.60 1 58 GLU 3.54 -0.58 1 60 THR 3.46 -0.47 1 61 ILE 3.41 -1.57 1 62 GLN -5.14 2.80 1 63 LYS 2.55 -0.84 1 65 ASN 0.70 -0.75 1 66 GLU -1.74 1.00 1 67 VAL 1.49 -1.83 1 68 LEU 1.90 -0.01 1 69 SER -1.40 0.71 1 70 ILE -2.59 2.39 1 71 ASN 3.63 -2.64 1 73 LYS -0.52 -0.96 1 74 SER -0.27 0.00 1 75 LEU 0.45 -1.57 1 76 LYS 3.23 -1.42 1 78 THR -0.80 0.79 1 79 THR -1.29 1.21 1 81 HIS 4.64 0.57 1 82 ASP 4.53 -1.58 1 83 ALA 4.11 -0.98 1 84 LEU 4.07 -1.24 1 85 ALA 4.01 -1.30 1 86 ILE 4.83 -0.70 1 87 LEU 3.18 -0.06 1 88 ARG 4.23 -0.85 1 89 GLN 4.25 -1.24 1 90 ALA 1.52 -1.08 1 91 ARG 3.09 -0.52 1 94 ARG 1.42 -0.45 1 95 GLN -4.47 2.98 1 96 ALA -7.32 5.17 1 97 VAL -1.27 0.51 1 98 ILE -2.93 1.81 1 99 VAL -0.14 -0.57 1 100 THR -6.92 4.17 1 101 ARG -4.91 3.74 1 102 LYS 0.18 0.17 1 103 LEU -0.87 0.53 1 104 THR -0.28 -0.04 1 106 GLU -0.10 0.24 1 107 ALA -0.59 0.29 1 108 MET -0.25 0.21 1 110 ASP -0.09 -0.02 1 111 LEU 0.52 -0.04 1 112 ASN 0.29 0.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _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 9.71 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 VAL -0.14 1.08 0 10 LEU 9.71 -0.17 0 11 LYS 3.11 0.57 1 12 GLN -2.91 -0.02 1 13 LEU 0.09 0.01 1 14 ASP 0.35 -0.10 1 16 ILE -0.11 0.54 1 17 HIS -3.12 0.05 1 18 VAL 0.40 0.26 1 19 THR -0.15 0.16 1 20 ILE -0.74 0.70 1 21 LEU -3.92 0.46 1 22 HIS -1.02 0.28 1 23 LYS -4.86 0.56 1 24 GLU -1.61 0.00 1 25 GLU 2.56 -0.43 1 27 ALA -1.34 0.08 1 29 LEU 1.66 -0.28 1 31 PHE -3.14 -0.08 1 32 SER -6.67 0.52 1 33 LEU -4.48 1.23 1 34 ALA -5.50 0.43 1 37 ALA 3.09 -0.32 1 38 ASP 0.94 -0.15 1 39 LEU -3.04 0.36 1 40 GLU 2.85 -0.37 1 41 ASN 0.71 0.08 1 42 LYS 0.35 0.01 1 43 VAL -0.79 -0.06 1 44 ILE 1.87 0.74 1 45 THR -7.23 1.05 1 46 VAL 2.16 -0.06 1 47 HIS 0.31 -0.10 1 48 ARG -4.72 0.02 1 49 VAL 0.32 -0.11 1 50 PHE 1.54 -0.02 1 52 ASN 2.41 -0.24 1 54 LEU 3.22 -0.30 1 55 ALA 3.09 -0.04 1 56 SER 3.49 -0.45 1 57 GLN 3.26 -0.31 1 58 GLU 3.54 -0.19 1 60 THR 3.46 -0.31 1 61 ILE 3.41 -0.54 1 62 GLN -5.14 0.16 1 63 LYS 2.55 -0.86 1 65 ASN 0.70 0.06 1 66 GLU -1.74 0.28 1 67 VAL 1.49 0.05 1 68 LEU 1.90 0.05 1 69 SER -1.40 0.67 1 70 ILE -2.59 0.38 1 71 ASN 3.63 -0.25 1 73 LYS -0.52 0.17 1 74 SER -0.27 -0.02 1 75 LEU 0.45 0.32 1 76 LYS 3.23 -0.11 1 78 THR -0.80 0.27 1 79 THR -1.29 0.04 1 80 HIS 6.69 -0.40 1 81 HIS 4.64 -0.65 1 82 ASP 4.53 -0.19 1 83 ALA 4.11 -0.38 1 84 LEU 4.07 -0.55 1 85 ALA 4.01 -0.26 1 86 ILE 4.83 -0.49 1 87 LEU 3.18 -0.44 1 88 ARG 4.23 -0.28 1 89 GLN 4.25 -0.22 1 90 ALA 1.52 -0.20 1 91 ARG 3.09 -0.27 1 92 GLU 8.98 -0.51 1 94 ARG 1.42 -0.11 1 95 GLN -4.47 0.91 1 96 ALA -7.32 1.09 1 97 VAL -1.27 0.68 1 98 ILE -2.93 0.66 1 100 THR -6.92 1.26 1 101 ARG -4.91 0.65 1 102 LYS 0.18 -0.09 1 103 LEU -0.87 0.20 1 104 THR -0.28 0.01 1 106 GLU -0.10 -0.15 1 107 ALA -0.59 0.00 1 108 MET -0.25 0.05 1 110 ASP -0.09 -0.07 1 111 LEU 0.52 -0.02 1 112 ASN 0.29 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 9.71 _LACS_plot.Line_2_terminator_val_y_2 3.91 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 LEU 9.71 -1.49 0 11 LYS 3.11 -0.81 1 12 GLN -2.91 0.30 1 13 LEU 0.09 -0.48 1 14 ASP 0.35 0.47 1 16 ILE -0.11 -0.59 1 17 HIS -3.12 -1.05 1 18 VAL 0.40 -1.60 1 19 THR -0.15 -1.92 1 20 ILE -0.74 -1.09 1 21 LEU -3.92 -2.04 1 22 HIS -1.02 0.16 1 23 LYS -4.86 -2.34 1 24 GLU -1.61 1.24 1 25 GLU 2.56 1.21 1 27 ALA -1.34 0.34 1 29 LEU 1.66 -0.05 1 31 PHE -3.14 -4.66 1 32 SER -6.67 0.45 1 33 LEU -4.48 -1.77 1 34 ALA -5.50 -1.57 1 37 ALA 3.09 -0.86 1 38 ASP 0.94 -0.99 1 39 LEU -3.04 -1.22 1 40 GLU 2.85 0.29 1 42 LYS 0.35 0.48 1 44 ILE 1.87 0.32 1 46 VAL 2.16 0.35 1 47 HIS 0.31 0.24 1 48 ARG -4.72 -2.42 1 49 VAL 0.32 -0.05 1 50 PHE 1.54 0.45 1 52 ASN 2.41 -0.38 1 54 LEU 3.22 2.11 1 55 ALA 3.09 3.51 1 56 SER 3.49 1.79 1 57 GLN 3.26 1.40 1 58 GLU 3.54 2.65 1 60 THR 3.46 1.14 1 61 ILE 3.41 -2.20 1 62 GLN -5.14 -1.44 1 65 ASN 0.70 -0.16 1 66 GLU -1.74 0.02 1 67 VAL 1.49 -1.66 1 68 LEU 1.90 1.32 1 69 SER -1.40 -1.88 1 70 ILE -2.59 -1.41 1 71 ASN 3.63 -0.23 1 73 LYS -0.52 -1.56 1 74 SER -0.27 1.37 1 75 LEU 0.45 0.52 1 76 LYS 3.23 1.89 1 78 THR -0.80 2.57 1 79 THR -1.29 -0.20 1 80 HIS 6.69 2.97 1 81 HIS 4.64 4.17 1 82 ASP 4.53 2.38 1 83 ALA 4.11 1.56 1 84 LEU 4.07 2.57 1 85 ALA 4.01 2.58 1 86 ILE 4.83 2.29 1 87 LEU 3.18 1.01 1 88 ARG 4.23 4.40 1 89 GLN 4.25 1.96 1 90 ALA 1.52 0.28 1 91 ARG 3.09 1.56 1 92 GLU 8.98 -0.44 1 94 ARG 1.42 -0.98 1 95 GLN -4.47 -1.21 1 96 ALA -7.32 -2.54 1 97 VAL -1.27 -0.32 1 98 ILE -2.93 -2.11 1 99 VAL -0.14 0.26 1 100 THR -6.92 -1.89 1 101 ARG -4.91 -1.56 1 102 LYS 0.18 -0.66 1 103 LEU -0.87 -0.64 1 104 THR -0.28 -0.25 1 106 GLU -0.10 -0.49 1 107 ALA -0.59 -0.50 1 108 MET -0.25 -0.26 1 110 ASP -0.09 0.21 1 111 LEU 0.52 -0.05 1 112 ASN 0.29 0.25 1 stop_ save_