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 bmr30394_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -3.08 _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 -0.97 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 4.76 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 ILE -0.55 -2.03 0 39 THR -7.00 -2.52 0 11 SER 2.10 1.54 1 13 ALA -0.03 0.34 1 15 LYS 3.71 3.42 1 16 THR 4.59 3.52 1 17 THR 4.73 3.89 1 18 LEU 4.10 3.01 1 19 ASP 4.01 3.24 1 20 GLU 2.92 2.59 1 21 LEU 3.06 2.89 1 22 ALA 3.80 2.88 1 23 ARG 4.51 3.69 1 24 LYS 3.86 3.04 1 25 ALA 3.59 3.00 1 26 LYS 1.82 1.27 1 27 GLU 2.41 2.27 1 28 GLU 0.70 1.41 1 29 VAL 0.45 -0.95 1 31 ASP 0.16 -1.17 1 32 ALA -2.79 -0.80 1 33 GLU -1.96 -1.15 1 35 ARG -6.37 -3.47 1 36 THR -1.49 -1.00 1 37 VAL -4.57 -1.58 1 38 THR -0.88 0.26 1 40 LYS 5.05 3.96 1 41 GLU 5.27 4.07 1 42 ASP 2.26 2.98 1 43 ALA 3.16 3.01 1 44 LYS 4.26 3.68 1 45 ARG 4.22 3.67 1 46 VAL 5.72 3.95 1 47 ALA 2.46 3.02 1 48 GLU 3.48 2.87 1 49 GLU 3.64 2.96 1 50 ALA 4.45 2.83 1 51 GLU 2.52 2.57 1 52 ARG 3.62 3.18 1 53 ARG 1.03 -0.30 1 54 ASN 2.51 0.87 1 55 ALA 1.62 0.91 1 56 ASP 0.42 2.91 1 57 ILE -5.26 -1.64 1 58 VAL -2.28 -1.64 1 59 VAL -2.44 -1.98 1 60 ILE -0.95 -0.52 1 61 VAL -1.19 -1.53 1 64 SER 0.01 0.22 1 66 SER 1.13 1.13 1 68 LYS 0.73 0.50 1 69 SER -0.37 -0.06 1 70 THR 3.90 3.26 1 71 LEU 3.79 2.71 1 72 ALA 4.07 3.29 1 73 LYS 4.28 3.41 1 74 ILE 4.10 3.70 1 75 VAL 5.89 4.51 1 76 LYS 5.10 4.37 1 77 LYS 3.93 3.28 1 78 ILE 4.17 3.96 1 79 ILE 4.29 2.59 1 80 ALA 3.05 2.31 1 81 ARG 2.95 2.17 1 82 ALA 0.33 0.51 1 84 ALA -1.84 -1.12 1 85 LYS 0.75 0.53 1 86 THR -1.81 -0.84 1 87 ILE -4.45 -1.35 1 88 GLU -3.84 -1.26 1 89 VAL -5.80 -2.80 1 95 LEU 4.75 4.06 1 96 ARG 5.15 4.42 1 98 ALA 3.02 2.69 1 99 VAL 6.13 4.63 1 100 ALA 4.03 3.08 1 101 LYS 3.72 2.94 1 102 ALA 2.99 2.28 1 103 ARG 3.50 3.34 1 105 SER 2.39 2.05 1 106 TRP 2.56 2.88 1 107 SER 2.54 2.26 1 108 LEU 1.50 1.43 1 109 GLU -0.14 0.37 1 110 HIS 1.13 0.97 1 111 HIS 0.19 0.87 1 112 HIS 0.01 0.81 1 114 HIS 0.08 0.92 1 115 HIS 1.23 2.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30394_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 3.92 _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 1.03 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 -1.36 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 ILE -0.55 -1.48 0 39 THR -7.00 4.48 0 11 SER 2.10 -0.56 1 13 ALA -0.03 0.37 1 15 LYS 3.71 -0.29 1 16 THR 4.59 -1.07 1 17 THR 4.73 -0.84 1 18 LEU 4.10 -1.09 1 19 ASP 4.01 -0.77 1 20 GLU 2.92 -0.33 1 21 LEU 3.06 -0.17 1 22 ALA 3.80 -0.92 1 23 ARG 4.51 -0.82 1 24 LYS 3.86 -0.82 1 25 ALA 3.59 -0.59 1 26 LYS 1.82 -0.55 1 27 GLU 2.41 -0.14 1 28 GLU 0.70 0.71 1 29 VAL 0.45 -1.40 1 31 ASP 0.16 -1.33 1 32 ALA -2.79 1.99 1 33 GLU -1.96 0.81 1 35 ARG -6.37 2.90 1 36 THR -1.49 0.49 1 37 VAL -4.57 2.99 1 38 THR -0.88 1.14 1 40 LYS 5.05 -1.09 1 41 GLU 5.27 -1.20 1 42 ASP 2.26 0.72 1 43 ALA 3.16 -0.15 1 44 LYS 4.26 -0.58 1 45 ARG 4.22 -0.55 1 46 VAL 5.72 -1.77 1 47 ALA 2.46 0.56 1 48 GLU 3.48 -0.61 1 49 GLU 3.64 -0.68 1 50 ALA 4.45 -1.62 1 51 GLU 2.52 0.05 1 52 ARG 3.62 -0.44 1 53 ARG 1.03 -1.33 1 54 ASN 2.51 -1.64 1 55 ALA 1.62 -0.71 1 56 ASP 0.42 2.49 1 57 ILE -5.26 3.62 1 58 VAL -2.28 0.64 1 59 VAL -2.44 0.46 1 60 ILE -0.95 0.43 1 61 VAL -1.19 -0.34 1 64 SER 0.01 0.21 1 66 SER 1.13 0.00 1 68 LYS 0.73 -0.23 1 69 SER -0.37 0.31 1 70 THR 3.90 -0.64 1 71 LEU 3.79 -1.08 1 72 ALA 4.07 -0.78 1 73 LYS 4.28 -0.87 1 74 ILE 4.10 -0.40 1 75 VAL 5.89 -1.38 1 76 LYS 5.10 -0.73 1 77 LYS 3.93 -0.65 1 78 ILE 4.17 -0.21 1 79 ILE 4.29 -1.70 1 80 ALA 3.05 -0.74 1 81 ARG 2.95 -0.78 1 82 ALA 0.33 0.18 1 84 ALA -1.84 0.72 1 85 LYS 0.75 -0.22 1 86 THR -1.81 0.97 1 87 ILE -4.45 3.10 1 88 GLU -3.84 2.58 1 89 VAL -5.80 3.00 1 95 LEU 4.75 -0.69 1 96 ARG 5.15 -0.73 1 98 ALA 3.02 -0.33 1 99 VAL 6.13 -1.50 1 100 ALA 4.03 -0.95 1 101 LYS 3.72 -0.78 1 102 ALA 2.99 -0.71 1 103 ARG 3.50 -0.16 1 105 SER 2.39 -0.34 1 106 TRP 2.56 0.32 1 107 SER 2.54 -0.28 1 108 LEU 1.50 -0.07 1 109 GLU -0.14 0.51 1 110 HIS 1.13 -0.16 1 111 HIS 0.19 0.68 1 112 HIS 0.01 0.80 1 114 HIS 0.08 0.84 1 115 HIS 1.23 1.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30394_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 0.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 THR -1.81 1.15 0 11 SER 2.10 -0.14 1 13 ALA -0.03 0.02 1 15 LYS 3.71 -0.30 1 16 THR 4.59 -0.14 1 17 THR 4.73 -0.22 1 18 LEU 4.10 -0.31 1 19 ASP 4.01 -0.25 1 20 GLU 2.92 -0.10 1 21 LEU 3.06 -0.24 1 22 ALA 3.80 -0.41 1 23 ARG 4.51 -0.36 1 24 LYS 3.86 -0.28 1 25 ALA 3.59 -0.36 1 26 LYS 1.82 -0.37 1 27 GLU 2.41 -0.35 1 28 GLU 0.70 -0.11 1 29 VAL 0.45 -0.01 1 31 ASP 0.16 0.02 1 32 ALA -2.79 0.29 1 33 GLU -1.96 0.19 1 34 ILE -0.55 0.83 1 35 ARG -6.37 0.68 1 36 THR -1.49 0.77 1 37 VAL -4.57 0.45 1 38 THR -0.88 0.40 1 39 THR -7.00 0.51 1 40 LYS 5.05 -0.50 1 41 GLU 5.27 -0.33 1 42 ASP 2.26 -0.18 1 43 ALA 3.16 -0.48 1 44 LYS 4.26 -0.48 1 45 ARG 4.22 -0.15 1 46 VAL 5.72 -0.26 1 47 ALA 2.46 -0.39 1 48 GLU 3.48 -0.25 1 49 GLU 3.64 -0.37 1 50 ALA 4.45 -0.57 1 51 GLU 2.52 -0.19 1 52 ARG 3.62 -0.21 1 53 ARG 1.03 -0.06 1 54 ASN 2.51 -0.34 1 55 ALA 1.62 -0.50 1 56 ASP 0.42 0.12 1 57 ILE -5.26 0.71 1 58 VAL -2.28 0.90 1 59 VAL -2.44 0.67 1 60 ILE -0.95 0.55 1 61 VAL -1.19 0.51 1 64 SER 0.01 0.01 1 66 SER 1.13 -0.03 1 68 LYS 0.73 0.00 1 69 SER -0.37 0.10 1 70 THR 3.90 -0.27 1 71 LEU 3.79 -0.24 1 72 ALA 4.07 -0.51 1 73 LYS 4.28 -0.33 1 74 ILE 4.10 -0.38 1 75 VAL 5.89 -0.69 1 76 LYS 5.10 -0.62 1 77 LYS 3.93 -0.28 1 78 ILE 4.17 -0.42 1 79 ILE 4.29 -0.33 1 80 ALA 3.05 0.01 1 81 ARG 2.95 -0.14 1 82 ALA 0.33 0.08 1 84 ALA -1.84 0.23 1 85 LYS 0.75 0.12 1 87 ILE -4.45 0.37 1 88 GLU -3.84 0.89 1 89 VAL -5.80 0.67 1 95 LEU 4.75 -0.41 1 96 ARG 5.15 -0.55 1 98 ALA 3.02 -0.14 1 99 VAL 6.13 -0.64 1 100 ALA 4.03 -0.17 1 101 LYS 3.72 -0.19 1 102 ALA 2.99 -0.08 1 103 ARG 3.50 -0.23 1 105 SER 2.39 0.00 1 106 TRP 2.56 -0.20 1 107 SER 2.54 -0.26 1 108 LEU 1.50 -0.13 1 109 GLU -0.14 -0.23 1 110 HIS 1.13 -0.32 1 111 HIS 0.19 -0.14 1 112 HIS 0.01 -0.07 1 114 HIS 0.08 -0.06 1 115 HIS 1.23 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30394_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _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 -0.77 _LACS_plot.Line_2_terminator_val_x_2 6.12 _LACS_plot.Line_2_terminator_val_y_2 2.78 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 THR -7.00 0.54 0 11 SER 2.10 1.72 1 13 ALA -0.03 0.37 1 15 LYS 3.71 1.54 1 16 THR 4.59 2.25 1 17 THR 4.73 1.52 1 18 LEU 4.10 1.14 1 19 ASP 4.01 3.02 1 20 GLU 2.92 2.37 1 21 LEU 3.06 2.10 1 22 ALA 3.80 1.75 1 23 ARG 4.51 3.12 1 24 LYS 3.86 2.50 1 25 ALA 3.59 0.53 1 26 LYS 1.82 1.49 1 27 GLU 2.41 2.20 1 28 GLU 0.70 0.73 1 29 VAL 0.45 -2.38 1 31 ASP 0.16 -0.07 1 32 ALA -2.79 -0.48 1 33 GLU -1.96 -1.65 1 34 ILE -0.55 0.66 1 35 ARG -6.37 -1.46 1 36 THR -1.49 -0.48 1 37 VAL -4.57 -2.00 1 38 THR -0.88 -0.36 1 40 LYS 5.05 1.75 1 41 GLU 5.27 2.91 1 42 ASP 2.26 1.88 1 43 ALA 3.16 0.25 1 44 LYS 4.26 1.66 1 45 ARG 4.22 3.72 1 46 VAL 5.72 1.17 1 47 ALA 2.46 1.71 1 48 GLU 3.48 2.81 1 49 GLU 3.64 1.47 1 50 ALA 4.45 1.37 1 51 GLU 2.52 2.90 1 52 ARG 3.62 2.03 1 53 ARG 1.03 -0.83 1 54 ASN 2.51 -0.56 1 55 ALA 1.62 -1.36 1 56 ASP 0.42 0.24 1 57 ILE -5.26 -3.03 1 58 VAL -2.28 -1.91 1 59 VAL -2.44 -1.90 1 60 ILE -0.95 -1.59 1 61 VAL -1.19 -1.31 1 64 SER 0.01 0.74 1 66 SER 1.13 1.05 1 68 LYS 0.73 0.27 1 69 SER -0.37 0.90 1 70 THR 3.90 1.57 1 71 LEU 3.79 0.62 1 72 ALA 4.07 1.71 1 73 LYS 4.28 2.77 1 74 ILE 4.10 1.57 1 75 VAL 5.89 0.93 1 76 LYS 5.10 1.09 1 77 LYS 3.93 2.61 1 78 ILE 4.17 1.93 1 79 ILE 4.29 1.45 1 80 ALA 3.05 2.77 1 81 ARG 2.95 0.81 1 82 ALA 0.33 0.31 1 84 ALA -1.84 -0.48 1 85 LYS 0.75 -1.19 1 86 THR -1.81 -0.21 1 87 ILE -4.45 -2.42 1 88 GLU -3.84 -0.95 1 89 VAL -5.80 -0.79 1 98 ALA 3.02 3.28 1 99 VAL 6.13 0.82 1 100 ALA 4.03 3.45 1 101 LYS 3.72 2.59 1 102 ALA 2.99 1.88 1 103 ARG 3.50 2.51 1 105 SER 2.39 1.12 1 106 TRP 2.56 1.89 1 107 SER 2.54 0.61 1 108 LEU 1.50 0.56 1 109 GLU -0.14 -0.11 1 stop_ save_