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 bmr17588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.59 _LACS_plot.Line_1_terminator_val_y_1 -2.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.56 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 5.33 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 TYR 4.52 -0.42 0 10 ASP -0.05 0.19 1 11 SER 0.65 0.59 1 12 ASN 0.96 0.69 1 13 GLN 1.01 0.75 1 14 ASN 0.60 0.46 1 15 LYS 1.38 1.03 1 16 ALA 1.18 0.94 1 17 SER 1.20 0.78 1 18 MET 1.23 0.96 1 19 LEU 1.37 1.01 1 20 GLN 0.91 0.71 1 21 ALA 0.66 0.63 1 22 ARG 0.71 0.43 1 23 LEU 0.91 0.59 1 24 ASN 0.52 0.46 1 25 ASP 0.39 0.51 1 26 GLU 0.59 0.65 1 27 ALA 0.64 0.49 1 30 THR 0.78 0.53 1 31 ARG 0.70 0.46 1 32 LEU 0.27 0.13 1 33 LEU 0.08 -0.03 1 34 ARG 0.04 -0.08 1 35 VAL 0.19 0.04 1 36 HIS -0.83 1.11 1 37 HIS -0.81 1.22 1 38 GLU -0.11 0.32 1 39 SER 0.02 0.25 1 40 ASP 0.65 0.56 1 41 THR 1.24 1.02 1 42 GLU 0.62 0.72 1 43 GLU 0.79 0.85 1 44 ARG 2.31 1.78 1 46 PHE 3.07 2.38 1 47 LEU 3.12 2.36 1 48 GLU 2.96 2.71 1 49 LYS 4.49 3.69 1 50 ALA 3.60 2.38 1 51 ALA 3.67 2.61 1 52 VAL 6.82 5.03 1 53 LYS 5.37 4.52 1 54 LYS 4.66 4.04 1 55 MET 1.67 3.00 1 56 ALA 2.83 2.84 1 57 LYS 4.37 3.77 1 58 ALA 4.16 2.61 1 59 ILE 3.87 2.88 1 60 MET 3.38 2.66 1 61 ALA 0.97 0.94 1 62 ASP -1.56 -1.08 1 64 ASN 3.22 2.22 1 65 LYS 0.25 0.03 1 66 ALA 4.18 3.31 1 67 ASP 4.63 4.17 1 68 GLU 2.38 2.14 1 69 VAL 6.11 4.25 1 71 LYS 4.18 3.59 1 72 LYS 4.62 3.53 1 73 TRP 0.45 0.41 1 74 ALA 3.56 2.85 1 75 ASP 3.40 2.89 1 76 LYS 1.72 0.30 1 78 TYR -0.33 -2.35 1 79 THR -3.59 -1.77 1 80 LEU 6.56 3.81 1 81 THR 5.76 4.55 1 82 GLN 3.43 2.94 1 83 MET 3.95 0.06 1 84 SER 4.49 3.05 1 85 ASN 3.49 2.85 1 86 PHE 1.45 0.69 1 87 LEU 0.48 -0.55 1 88 LYS 1.90 1.47 1 89 SER -1.96 -0.92 1 90 LYS 3.52 2.19 1 91 THR -0.05 -0.60 1 92 ALA 2.10 1.08 1 94 LYS 3.26 3.41 1 95 TYR -1.16 -0.96 1 96 ASP 5.95 4.42 1 97 ARG 4.86 3.75 1 98 VAL 4.45 3.60 1 99 TYR 5.49 5.01 1 100 ASN 3.81 2.76 1 102 TYR 2.56 1.65 1 103 VAL 5.53 4.38 1 104 ILE 3.61 2.74 1 105 HIS 3.63 5.15 1 106 LEU 0.97 0.61 1 107 ASP 0.75 0.42 1 108 TYR 1.56 1.76 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.59 _LACS_plot.Line_1_terminator_val_y_1 1.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.44 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 -1.49 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 TYR 4.52 -4.94 0 10 ASP -0.05 0.24 1 11 SER 0.65 -0.06 1 12 ASN 0.96 -0.27 1 13 GLN 1.01 -0.26 1 14 ASN 0.60 -0.14 1 15 LYS 1.38 -0.35 1 16 ALA 1.18 -0.24 1 17 SER 1.20 -0.42 1 18 MET 1.23 -0.27 1 19 LEU 1.37 -0.36 1 20 GLN 0.91 -0.20 1 21 ALA 0.66 -0.03 1 22 ARG 0.71 -0.28 1 23 LEU 0.91 -0.32 1 24 ASN 0.52 -0.06 1 25 ASP 0.39 0.12 1 26 GLU 0.59 0.06 1 27 ALA 0.64 -0.15 1 30 THR 0.78 -0.25 1 31 ARG 0.70 -0.24 1 32 LEU 0.27 -0.14 1 33 LEU 0.08 -0.11 1 34 ARG 0.04 -0.12 1 35 VAL 0.19 -0.15 1 36 HIS -0.83 1.94 1 37 HIS -0.81 2.03 1 38 GLU -0.11 0.43 1 39 SER 0.02 0.23 1 40 ASP 0.65 -0.09 1 41 THR 1.24 -0.22 1 42 GLU 0.62 0.10 1 43 GLU 0.79 0.06 1 44 ARG 2.31 -0.53 1 46 PHE 3.07 -0.69 1 47 LEU 3.12 -0.76 1 48 GLU 2.96 -0.25 1 49 LYS 4.49 -0.80 1 50 ALA 3.60 -1.22 1 51 ALA 3.67 -1.06 1 52 VAL 6.82 -1.79 1 53 LYS 5.37 -0.85 1 54 LYS 4.66 -0.62 1 55 MET 1.67 1.33 1 56 ALA 2.83 0.01 1 57 LYS 4.37 -0.60 1 58 ALA 4.16 -1.55 1 59 ILE 3.87 -0.99 1 60 MET 3.38 -0.72 1 61 ALA 0.97 -0.03 1 62 ASP -1.56 0.48 1 64 ASN 3.22 -1.00 1 65 LYS 0.25 -0.22 1 66 ALA 4.18 -0.87 1 67 ASP 4.63 -0.46 1 68 GLU 2.38 -0.24 1 69 VAL 6.11 -1.86 1 71 LYS 4.18 -0.59 1 72 LYS 4.62 -1.09 1 73 TRP 0.45 -0.04 1 74 ALA 3.56 -0.71 1 75 ASP 3.40 -0.51 1 76 LYS 1.72 -1.42 1 78 TYR -0.33 -2.02 1 79 THR -3.59 1.82 1 80 LEU 6.56 -2.75 1 81 THR 5.76 -1.21 1 82 GLN 3.43 -0.49 1 83 MET 3.95 -3.89 1 84 SER 4.49 -1.44 1 85 ASN 3.49 -0.64 1 86 PHE 1.45 -0.76 1 87 LEU 0.48 -1.03 1 88 LYS 1.90 -0.43 1 89 SER -1.96 1.04 1 90 LYS 3.52 -1.33 1 91 THR -0.05 -0.55 1 92 ALA 2.10 -1.02 1 94 LYS 3.26 0.15 1 95 TYR -1.16 0.20 1 96 ASP 5.95 -1.53 1 97 ARG 4.86 -1.11 1 98 VAL 4.45 -0.85 1 99 TYR 5.49 -0.48 1 100 ASN 3.81 -1.05 1 102 TYR 2.56 -0.91 1 103 VAL 5.53 -1.15 1 104 ILE 3.61 -0.87 1 105 HIS 3.63 1.52 1 106 LEU 0.97 -0.36 1 107 ASP 0.75 -0.33 1 108 TYR 1.56 0.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.59 _LACS_plot.Line_1_terminator_val_y_1 0.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.06 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 -0.44 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 TYR 2.56 -1.08 0 66 ALA 4.18 -1.28 0 10 ASP -0.05 -0.02 1 11 SER 0.65 -0.08 1 12 ASN 0.96 -0.06 1 13 GLN 1.01 -0.10 1 14 ASN 0.60 -0.06 1 15 LYS 1.38 -0.11 1 16 ALA 1.18 -0.05 1 17 SER 1.20 -0.10 1 18 MET 1.23 -0.05 1 19 LEU 1.37 -0.08 1 20 GLN 0.91 -0.13 1 21 ALA 0.66 -0.07 1 22 ARG 0.71 -0.03 1 23 LEU 0.91 -0.07 1 24 ASN 0.52 -0.07 1 25 ASP 0.39 -0.06 1 26 GLU 0.59 -0.14 1 27 ALA 0.64 0.00 1 30 THR 0.78 -0.05 1 31 ARG 0.70 -0.04 1 32 LEU 0.27 -0.02 1 33 LEU 0.08 0.00 1 34 ARG 0.04 0.00 1 35 VAL 0.19 -0.08 1 36 HIS -0.83 -0.13 1 37 HIS -0.81 -0.13 1 38 GLU -0.11 -0.10 1 39 SER 0.02 -0.02 1 40 ASP 0.65 0.03 1 41 THR 1.24 -0.17 1 42 GLU 0.62 -0.14 1 43 GLU 0.79 -0.14 1 44 ARG 2.31 -0.11 1 46 PHE 3.07 -0.20 1 47 LEU 3.12 -0.30 1 48 GLU 2.96 -0.36 1 49 LYS 4.49 -1.08 1 50 ALA 3.60 -0.36 1 51 ALA 3.67 -0.21 1 52 VAL 6.82 -0.47 1 53 LYS 5.37 -0.76 1 54 LYS 4.66 -0.33 1 55 MET 1.67 -0.23 1 56 ALA 2.83 -0.17 1 57 LYS 4.37 -0.24 1 58 ALA 4.16 -0.15 1 59 ILE 3.87 -0.50 1 60 MET 3.38 -0.38 1 61 ALA 0.97 -0.05 1 62 ASP -1.56 0.00 1 64 ASN 3.22 -0.19 1 65 LYS 0.25 -0.14 1 67 ASP 4.63 -0.47 1 68 GLU 2.38 -0.46 1 69 VAL 6.11 -1.07 1 70 TYR 4.52 -0.38 1 71 LYS 4.18 -0.11 1 72 LYS 4.62 -0.18 1 73 TRP 0.45 -0.15 1 74 ALA 3.56 0.17 1 75 ASP 3.40 -0.18 1 76 LYS 1.72 -0.29 1 78 TYR -0.33 0.74 1 79 THR -3.59 0.17 1 80 LEU 6.56 -0.16 1 81 THR 5.76 -0.41 1 82 GLN 3.43 -0.69 1 83 MET 3.95 -0.06 1 84 SER 4.49 -0.78 1 85 ASN 3.49 -0.32 1 86 PHE 1.45 -0.19 1 87 LEU 0.48 -0.24 1 88 LYS 1.90 -0.07 1 89 SER -1.96 0.32 1 90 LYS 3.52 -0.17 1 91 THR -0.05 -0.01 1 92 ALA 2.10 -0.14 1 94 LYS 3.26 -0.53 1 95 TYR -1.16 0.50 1 96 ASP 5.95 -0.31 1 97 ARG 4.86 -0.08 1 98 VAL 4.45 -0.18 1 99 TYR 5.49 -0.62 1 100 ASN 3.81 -0.45 1 103 VAL 5.53 -0.98 1 104 ILE 3.61 -0.48 1 105 HIS 3.63 -0.78 1 106 LEU 0.97 -0.51 1 107 ASP 0.75 -0.14 1 108 TYR 1.56 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.59 _LACS_plot.Line_1_terminator_val_y_1 -1.90 _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 -0.84 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 3.20 _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 108 TYR 1.56 5.13 0 10 ASP -0.05 0.30 1 11 SER 0.65 0.23 1 12 ASN 0.96 0.45 1 13 GLN 1.01 -0.01 1 14 ASN 0.60 0.35 1 15 LYS 1.38 0.33 1 16 ALA 1.18 0.79 1 17 SER 1.20 0.77 1 18 MET 1.23 0.53 1 19 LEU 1.37 0.17 1 20 GLN 0.91 0.17 1 21 ALA 0.66 0.23 1 22 ARG 0.71 0.45 1 23 LEU 0.91 -0.05 1 24 ASN 0.52 0.05 1 25 ASP 0.39 0.43 1 26 GLU 0.59 0.26 1 27 ALA 0.64 0.72 1 30 THR 0.78 0.09 1 31 ARG 0.70 -0.18 1 32 LEU 0.27 -0.56 1 33 LEU 0.08 -0.58 1 34 ARG 0.04 -0.35 1 35 VAL 0.19 -0.59 1 36 HIS -0.83 0.72 1 37 HIS -0.81 1.07 1 38 GLU -0.11 -0.12 1 39 SER 0.02 -0.10 1 40 ASP 0.65 0.48 1 41 THR 1.24 0.61 1 42 GLU 0.62 0.53 1 43 GLU 0.79 0.71 1 44 ARG 2.31 1.75 1 46 PHE 3.07 1.76 1 47 LEU 3.12 2.02 1 48 GLU 2.96 0.97 1 49 LYS 4.49 1.06 1 50 ALA 3.60 2.69 1 51 ALA 3.67 2.96 1 52 VAL 6.82 2.27 1 53 LYS 5.37 1.95 1 54 LYS 4.66 3.39 1 55 MET 1.67 1.24 1 56 ALA 2.83 1.82 1 57 LYS 4.37 2.76 1 58 ALA 4.16 2.91 1 59 ILE 3.87 1.33 1 60 MET 3.38 1.79 1 61 ALA 0.97 -0.04 1 62 ASP -1.56 -2.04 1 64 ASN 3.22 1.67 1 65 LYS 0.25 -0.76 1 66 ALA 4.18 -1.10 1 67 ASP 4.63 1.77 1 68 GLU 2.38 2.28 1 69 VAL 6.11 0.32 1 70 TYR 4.52 2.59 1 71 LYS 4.18 2.19 1 72 LYS 4.62 3.80 1 73 TRP 0.45 1.88 1 74 ALA 3.56 5.08 1 75 ASP 3.40 2.41 1 76 LYS 1.72 0.27 1 78 TYR -0.33 2.52 1 79 THR -3.59 0.95 1 80 LEU 6.56 2.49 1 81 THR 5.76 2.30 1 82 GLN 3.43 2.35 1 83 MET 3.95 1.61 1 84 SER 4.49 2.07 1 85 ASN 3.49 2.80 1 86 PHE 1.45 1.68 1 87 LEU 0.48 -1.13 1 88 LYS 1.90 -0.01 1 90 LYS 3.52 0.87 1 91 THR -0.05 -0.46 1 92 ALA 2.10 0.91 1 94 LYS 3.26 1.03 1 95 TYR -1.16 0.75 1 96 ASP 5.95 1.79 1 97 ARG 4.86 3.63 1 98 VAL 4.45 3.33 1 99 TYR 5.49 0.50 1 100 ASN 3.81 3.29 1 102 TYR 2.56 0.12 1 103 VAL 5.53 2.49 1 104 ILE 3.61 2.30 1 105 HIS 3.63 2.87 1 106 LEU 0.97 -0.29 1 107 ASP 0.75 -1.08 1 stop_ save_