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 bmr17989_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.67 _LACS_plot.Line_1_terminator_val_y_1 -0.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 6.91 _LACS_plot.Line_2_terminator_val_y_2 5.53 _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 78 HIS 2.71 4.53 0 70 ASP -1.67 1.06 0 10 TYR 0.45 0.29 1 11 VAL 0.16 0.15 1 12 ALA -0.02 -0.02 1 13 LEU -0.00 0.06 1 14 LYS 0.05 -0.09 1 15 GLN -0.17 -0.01 1 17 ALA -0.17 -0.02 1 18 VAL 0.12 0.05 1 19 LYS 0.13 0.09 1 20 LYS 0.27 0.24 1 21 THR 0.59 0.56 1 22 GLU -0.04 0.29 1 23 GLU 0.10 0.45 1 24 ALA 0.54 0.44 1 25 ALA 0.31 0.33 1 26 ALA 0.47 0.34 1 27 ALA 0.26 0.25 1 28 LYS 0.40 0.28 1 29 ALA 0.23 0.31 1 30 GLU -0.19 0.23 1 31 THR 0.76 0.74 1 32 VAL 0.74 0.47 1 33 LYS 0.43 0.22 1 34 ARG 0.04 0.22 1 35 SER -0.12 0.13 1 36 SER 0.01 0.23 1 37 SER -0.09 0.11 1 38 LYS 0.54 0.19 1 39 LEU -1.10 -0.49 1 40 SER -1.27 -0.83 1 41 TYR 4.74 4.00 1 42 LYS 3.98 3.63 1 43 LEU 2.92 2.41 1 44 GLN 4.87 3.64 1 45 ARG 3.85 2.42 1 46 GLU 3.76 3.16 1 47 LEU 3.82 3.12 1 48 GLU 2.49 2.36 1 49 GLN 0.27 0.73 1 50 LEU 6.92 6.61 1 52 GLN 3.40 2.70 1 53 LEU 4.06 3.29 1 54 LEU 4.39 3.28 1 55 GLU 3.65 3.31 1 56 ASP 3.82 3.29 1 57 LEU 2.02 2.76 1 58 GLU 4.22 3.79 1 59 ALA 3.99 2.77 1 60 LYS 3.71 3.33 1 61 LEU 3.78 3.04 1 62 GLU 3.63 3.05 1 63 ALA 4.09 2.81 1 64 LEU 3.18 3.24 1 65 GLN 5.05 3.60 1 66 THR 5.44 4.68 1 67 GLN 4.45 3.85 1 68 VAL 3.08 1.44 1 69 ALA -0.24 -0.30 1 71 ALA 3.30 2.86 1 72 SER 0.75 0.95 1 73 PHE 4.40 4.74 1 74 PHE 4.66 2.69 1 75 SER 0.68 0.57 1 76 GLN 1.39 0.85 1 79 GLU 4.24 3.15 1 80 GLN 2.80 2.29 1 81 THR 4.67 3.21 1 82 GLN 4.11 3.13 1 83 LYS 3.91 3.18 1 84 VAL 5.41 4.61 1 85 LEU 4.49 3.41 1 86 ALA 3.95 2.73 1 87 ASP 4.46 3.13 1 88 MET 3.95 4.75 1 89 ALA 3.88 2.66 1 90 ALA 3.67 2.54 1 91 ALA 3.66 2.57 1 92 GLU 3.68 3.59 1 93 GLN 4.20 3.27 1 94 GLU 3.27 3.35 1 95 LEU 3.77 3.42 1 96 GLU 3.78 3.50 1 97 GLN 4.17 3.29 1 98 ALA 3.44 2.78 1 99 PHE 5.70 5.07 1 100 GLU 3.49 3.17 1 101 ARG 3.19 1.88 1 102 TRP 5.21 4.17 1 103 GLU 3.52 3.46 1 104 TYR 3.45 3.19 1 105 LEU 1.94 2.69 1 106 GLU 3.69 2.73 1 107 ALA 3.76 2.23 1 108 LEU 2.28 2.17 1 109 LYS 3.54 2.81 1 110 ASN 0.25 0.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17989_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.67 _LACS_plot.Line_1_terminator_val_y_1 0.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 6.91 _LACS_plot.Line_2_terminator_val_y_2 -1.38 _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 78 HIS 2.71 1.82 0 70 ASP -1.67 2.73 0 10 TYR 0.45 -0.16 1 11 VAL 0.16 -0.01 1 12 ALA -0.02 0.00 1 13 LEU -0.00 0.06 1 14 LYS 0.05 -0.14 1 15 GLN -0.17 0.16 1 17 ALA -0.17 0.15 1 18 VAL 0.12 -0.07 1 19 LYS 0.13 -0.04 1 20 LYS 0.27 -0.03 1 21 THR 0.59 -0.03 1 22 GLU -0.04 0.33 1 23 GLU 0.10 0.35 1 24 ALA 0.54 -0.10 1 25 ALA 0.31 0.02 1 26 ALA 0.47 -0.13 1 27 ALA 0.26 -0.01 1 28 LYS 0.40 -0.12 1 29 ALA 0.23 0.08 1 30 GLU -0.19 0.42 1 31 THR 0.76 -0.02 1 32 VAL 0.74 -0.27 1 33 LYS 0.43 -0.21 1 34 ARG 0.04 0.18 1 35 SER -0.12 0.25 1 36 SER 0.01 0.22 1 37 SER -0.09 0.20 1 38 LYS 0.54 -0.35 1 39 LEU -1.10 0.61 1 40 SER -1.27 0.44 1 41 TYR 4.74 -0.74 1 42 LYS 3.98 -0.35 1 43 LEU 2.92 -0.51 1 44 GLN 4.87 -1.23 1 45 ARG 3.85 -1.43 1 46 GLU 3.76 -0.60 1 47 LEU 3.82 -0.70 1 48 GLU 2.49 -0.13 1 49 GLN 0.27 0.46 1 50 LEU 6.92 -0.31 1 52 GLN 3.40 -0.70 1 53 LEU 4.06 -0.77 1 54 LEU 4.39 -1.11 1 55 GLU 3.65 -0.34 1 56 ASP 3.82 -0.53 1 57 LEU 2.02 0.74 1 58 GLU 4.22 -0.43 1 59 ALA 3.99 -1.22 1 60 LYS 3.71 -0.38 1 61 LEU 3.78 -0.74 1 62 GLU 3.63 -0.58 1 63 ALA 4.09 -1.28 1 64 LEU 3.18 0.06 1 65 GLN 5.05 -1.45 1 66 THR 5.44 -0.76 1 67 GLN 4.45 -0.60 1 68 VAL 3.08 -1.64 1 69 ALA -0.24 -0.06 1 71 ALA 3.30 -0.44 1 72 SER 0.75 0.20 1 73 PHE 4.40 0.34 1 74 PHE 4.66 -1.97 1 75 SER 0.68 -0.11 1 76 GLN 1.39 -0.54 1 79 GLU 4.24 -1.09 1 80 GLN 2.80 -0.51 1 81 THR 4.67 -1.46 1 82 GLN 4.11 -0.98 1 83 LYS 3.91 -0.73 1 84 VAL 5.41 -0.80 1 85 LEU 4.49 -1.08 1 86 ALA 3.95 -1.22 1 87 ASP 4.46 -1.33 1 88 MET 3.95 0.80 1 89 ALA 3.88 -1.22 1 90 ALA 3.67 -1.13 1 91 ALA 3.66 -1.09 1 92 GLU 3.68 -0.09 1 93 GLN 4.20 -0.93 1 94 GLU 3.27 0.08 1 95 LEU 3.77 -0.35 1 96 GLU 3.78 -0.28 1 97 GLN 4.17 -0.88 1 98 ALA 3.44 -0.66 1 99 PHE 5.70 -0.63 1 100 GLU 3.49 -0.32 1 101 ARG 3.19 -1.31 1 102 TRP 5.21 -1.04 1 103 GLU 3.52 -0.06 1 104 TYR 3.45 -0.26 1 105 LEU 1.94 0.75 1 106 GLU 3.69 -0.96 1 107 ALA 3.76 -1.53 1 108 LEU 2.28 -0.11 1 109 LYS 3.54 -0.73 1 110 ASN 0.25 0.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17989_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.67 _LACS_plot.Line_1_terminator_val_y_1 0.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.08 _LACS_plot.Line_2_terminator_val_x_2 6.91 _LACS_plot.Line_2_terminator_val_y_2 -0.44 _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 68 VAL 3.08 -1.95 0 10 TYR 0.45 0.00 1 11 VAL 0.16 -0.14 1 12 ALA -0.02 -0.09 1 13 LEU -0.00 -0.05 1 14 LYS 0.05 -0.03 1 15 GLN -0.17 -0.32 1 17 ALA -0.17 -0.01 1 18 VAL 0.12 -0.05 1 19 LYS 0.13 0.00 1 20 LYS 0.27 0.04 1 21 THR 0.59 -0.10 1 22 GLU -0.04 -0.04 1 23 GLU 0.10 -0.13 1 24 ALA 0.54 -0.05 1 25 ALA 0.31 -0.11 1 26 ALA 0.47 -0.04 1 27 ALA 0.26 -0.05 1 28 LYS 0.40 -0.04 1 29 ALA 0.23 -0.04 1 30 GLU -0.19 -0.04 1 31 THR 0.76 -0.05 1 32 VAL 0.74 -0.04 1 33 LYS 0.43 0.00 1 34 ARG 0.04 0.05 1 35 SER -0.12 0.00 1 36 SER 0.01 0.04 1 37 SER -0.09 0.02 1 38 LYS 0.54 -0.03 1 39 LEU -1.10 0.03 1 40 SER -1.27 -0.06 1 41 TYR 4.74 -0.38 1 42 LYS 3.98 -0.49 1 43 LEU 2.92 -0.05 1 44 GLN 4.87 -0.47 1 45 ARG 3.85 -0.33 1 46 GLU 3.76 -0.38 1 47 LEU 3.82 -0.18 1 48 GLU 2.49 -0.31 1 49 GLN 0.27 0.07 1 50 LEU 6.92 -0.39 1 52 GLN 3.40 -0.31 1 53 LEU 4.06 -0.11 1 54 LEU 4.39 -0.58 1 55 GLU 3.65 -0.32 1 56 ASP 3.82 -0.19 1 57 LEU 2.02 -0.22 1 58 GLU 4.22 -0.38 1 59 ALA 3.99 -0.08 1 60 LYS 3.71 -0.25 1 61 LEU 3.78 -0.25 1 62 GLU 3.63 -0.25 1 63 ALA 4.09 -0.14 1 64 LEU 3.18 -0.22 1 65 GLN 5.05 -0.48 1 66 THR 5.44 -0.48 1 67 GLN 4.45 -0.31 1 69 ALA -0.24 -0.15 1 70 ASP -1.67 -0.21 1 71 ALA 3.30 -0.06 1 72 SER 0.75 0.14 1 73 PHE 4.40 -0.43 1 74 PHE 4.66 -0.24 1 75 SER 0.68 0.12 1 76 GLN 1.39 -0.17 1 78 HIS 2.71 -0.26 1 79 GLU 4.24 -0.41 1 80 GLN 2.80 -0.06 1 81 THR 4.67 -0.60 1 82 GLN 4.11 -0.36 1 83 LYS 3.91 -0.16 1 84 VAL 5.41 -0.32 1 85 LEU 4.49 -0.29 1 86 ALA 3.95 -0.04 1 87 ASP 4.46 -0.16 1 88 MET 3.95 -0.52 1 89 ALA 3.88 -0.02 1 90 ALA 3.67 -0.11 1 91 ALA 3.66 -0.05 1 92 GLU 3.68 -0.37 1 93 GLN 4.20 -0.15 1 94 GLU 3.27 -0.36 1 95 LEU 3.77 -0.22 1 96 GLU 3.78 -0.18 1 97 GLN 4.17 -0.17 1 98 ALA 3.44 0.04 1 99 PHE 5.70 -0.20 1 100 GLU 3.49 -0.14 1 101 ARG 3.19 -0.11 1 102 TRP 5.21 -0.48 1 103 GLU 3.52 -0.88 1 104 TYR 3.45 -0.35 1 105 LEU 1.94 -0.57 1 106 GLU 3.69 -0.59 1 107 ALA 3.76 -0.25 1 108 LEU 2.28 -0.45 1 109 LYS 3.54 -0.47 1 110 ASN 0.25 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17989_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.67 _LACS_plot.Line_1_terminator_val_y_1 -0.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _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 6.91 _LACS_plot.Line_2_terminator_val_y_2 3.95 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 LEU 6.92 -0.57 0 10 TYR 0.45 -0.24 1 11 VAL 0.16 -0.94 1 12 ALA -0.02 -0.26 1 13 LEU -0.00 -0.35 1 14 LYS 0.05 -0.42 1 15 GLN -0.17 -0.54 1 17 ALA -0.17 -0.04 1 18 VAL 0.12 -0.24 1 19 LYS 0.13 -0.13 1 20 LYS 0.27 0.36 1 21 THR 0.59 0.08 1 22 GLU -0.04 0.19 1 23 GLU 0.10 0.15 1 24 ALA 0.54 0.22 1 25 ALA 0.31 0.29 1 26 ALA 0.47 0.11 1 27 ALA 0.26 0.30 1 28 LYS 0.40 0.02 1 29 ALA 0.23 0.17 1 30 GLU -0.19 0.31 1 31 THR 0.76 0.05 1 32 VAL 0.74 -0.22 1 33 LYS 0.43 -0.04 1 34 ARG 0.04 0.16 1 36 SER 0.01 -0.12 1 37 SER -0.09 0.14 1 38 LYS 0.54 -0.07 1 39 LEU -1.10 -0.87 1 41 TYR 4.74 1.59 1 42 LYS 3.98 2.89 1 43 LEU 2.92 0.79 1 44 GLN 4.87 2.70 1 45 ARG 3.85 2.28 1 46 GLU 3.76 2.81 1 47 LEU 3.82 1.84 1 48 GLU 2.49 1.84 1 49 GLN 0.27 0.93 1 52 GLN 3.40 1.59 1 53 LEU 4.06 1.63 1 54 LEU 4.39 1.58 1 55 GLU 3.65 3.12 1 56 ASP 3.82 3.43 1 57 LEU 2.02 2.53 1 58 GLU 4.22 2.48 1 59 ALA 3.99 3.32 1 60 LYS 3.71 2.55 1 61 LEU 3.78 0.70 1 62 GLU 3.63 2.65 1 63 ALA 4.09 3.44 1 64 LEU 3.18 0.56 1 65 GLN 5.05 3.70 1 66 THR 5.44 1.51 1 67 GLN 4.45 2.20 1 68 VAL 3.08 -0.95 1 69 ALA -0.24 0.05 1 70 ASP -1.67 1.59 1 71 ALA 3.30 1.81 1 72 SER 0.75 2.05 1 73 PHE 4.40 1.27 1 74 PHE 4.66 0.22 1 75 SER 0.68 -0.02 1 76 GLN 1.39 -1.70 1 78 HIS 2.71 2.84 1 79 GLU 4.24 2.45 1 80 GLN 2.80 2.48 1 81 THR 4.67 2.65 1 82 GLN 4.11 2.70 1 83 LYS 3.91 1.31 1 84 VAL 5.41 2.20 1 85 LEU 4.49 2.96 1 86 ALA 3.95 3.32 1 87 ASP 4.46 3.33 1 88 MET 3.95 0.64 1 89 ALA 3.88 3.16 1 90 ALA 3.67 2.28 1 91 ALA 3.66 2.42 1 92 GLU 3.68 2.63 1 93 GLN 4.20 2.42 1 94 GLU 3.27 3.08 1 95 LEU 3.77 -0.04 1 96 GLU 3.78 3.29 1 97 GLN 4.17 2.91 1 98 ALA 3.44 1.61 1 99 PHE 5.70 2.81 1 100 GLU 3.49 3.11 1 101 ARG 3.19 1.24 1 102 TRP 5.21 0.72 1 103 GLU 3.52 2.98 1 104 TYR 3.45 1.29 1 105 LEU 1.94 1.62 1 106 GLU 3.69 2.36 1 107 ALA 3.76 3.39 1 108 LEU 2.28 2.17 1 109 LYS 3.54 0.82 1 110 ASN 0.25 0.69 1 stop_ save_