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 bmr18166_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.24 _LACS_plot.Line_1_terminator_val_y_1 -1.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.76 _LACS_plot.Line_2_terminator_val_x_2 7.97 _LACS_plot.Line_2_terminator_val_y_2 5.71 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 LYS 5.53 0.55 0 99 ASP -0.02 -3.44 0 64 LEU 4.87 -0.28 0 11 MET -0.75 -0.74 1 12 ASN 0.47 0.08 1 14 ASP 1.17 -0.17 1 15 LEU 2.36 1.34 1 16 ALA 1.92 0.87 1 17 LEU 2.03 1.01 1 18 MET 2.21 1.10 1 19 VAL 2.77 1.53 1 20 LYS 3.24 2.14 1 21 ASN 2.30 1.14 1 22 LYS 3.69 2.11 1 24 ASN 3.43 2.10 1 25 GLU 3.18 2.38 1 27 PHE 3.48 3.78 1 28 GLN 3.61 2.42 1 29 LYS 0.46 -0.10 1 31 ASP -0.78 -3.16 1 34 GLN 3.48 2.46 1 35 ALA 3.65 3.10 1 36 MET 6.27 4.00 1 37 LYS 3.93 3.03 1 38 HIS 4.00 3.00 1 39 TYR 4.36 2.35 1 40 THR 6.72 5.65 1 41 GLU 3.32 2.14 1 42 ALA 3.40 2.67 1 43 ILE 3.81 3.50 1 44 LYS 3.61 2.50 1 45 ARG 1.97 1.41 1 46 ASN -0.07 -0.14 1 48 LYS 0.47 -1.20 1 49 ASP -0.25 -1.32 1 50 ALA 2.07 3.06 1 51 LYS 4.89 3.11 1 52 LEU 2.49 2.18 1 53 TYR 4.32 3.67 1 54 SER 4.52 2.90 1 55 ASN 4.76 2.14 1 56 ARG 7.39 5.56 1 57 ALA 2.79 3.58 1 58 ALA 3.83 2.55 1 60 TYR 3.52 3.00 1 61 THR 7.86 5.84 1 62 LYS 3.32 1.01 1 63 LEU -0.29 -1.05 1 65 GLU -0.56 -3.37 1 66 PHE 4.61 3.29 1 67 GLN 5.54 2.98 1 68 LEU 6.76 2.38 1 69 ALA 3.92 3.33 1 70 LEU 4.95 3.48 1 72 ASP 4.21 3.09 1 74 GLU 3.49 1.61 1 75 GLU 4.78 1.55 1 77 ILE 3.36 3.11 1 78 GLN 3.56 2.51 1 79 LEU -0.22 1.42 1 80 GLU -2.24 -0.66 1 82 THR 0.36 -0.66 1 83 PHE -0.65 -1.99 1 84 ILE 3.96 3.13 1 85 LYS 1.76 0.14 1 87 TYR 2.87 2.30 1 88 THR 7.98 4.55 1 89 ARG 4.66 3.03 1 91 ALA 6.20 2.55 1 92 ALA 3.45 2.37 1 93 ALA 5.32 2.84 1 94 LEU 3.15 2.55 1 95 GLU 3.04 2.53 1 96 ALA 3.81 2.07 1 97 MET -0.08 0.67 1 100 TYR 5.19 4.03 1 101 THR 6.17 4.06 1 102 LYS 3.81 2.89 1 103 ALA 3.37 3.16 1 104 MET 4.62 5.62 1 105 ASP 3.80 2.91 1 106 VAL 5.92 3.78 1 107 TYR 5.20 4.55 1 108 GLN 4.15 3.00 1 109 LYS 4.42 2.34 1 110 ALA 3.96 2.55 1 111 LEU 1.70 1.11 1 112 ASP 3.46 1.56 1 113 LEU 1.35 1.43 1 114 ASP -1.18 -1.01 1 115 SER 2.84 1.83 1 116 SER -0.50 -0.34 1 118 LYS 3.41 2.67 1 119 GLU 2.83 2.40 1 120 ALA 1.80 0.81 1 121 ALA 3.59 2.29 1 122 ASP 4.02 2.04 1 124 TYR 6.18 5.28 1 125 GLN 4.18 2.92 1 126 ARG 3.63 3.82 1 128 MET 4.38 3.02 1 129 MET 2.23 1.28 1 130 ALA 3.18 0.58 1 131 GLN 1.39 1.10 1 132 TYR 0.15 -0.34 1 133 ASN 0.33 1.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18166_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.24 _LACS_plot.Line_1_terminator_val_y_1 0.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.97 _LACS_plot.Line_2_terminator_val_y_2 -2.26 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 LYS 5.53 -4.98 0 99 ASP -0.02 -3.42 0 64 LEU 4.87 -5.15 0 11 MET -0.75 0.01 1 12 ASN 0.47 -0.39 1 14 ASP 1.17 -1.34 1 15 LEU 2.36 -1.02 1 16 ALA 1.92 -1.05 1 17 LEU 2.03 -1.02 1 18 MET 2.21 -1.11 1 19 VAL 2.77 -1.24 1 20 LYS 3.24 -1.10 1 21 ASN 2.30 -1.16 1 22 LYS 3.69 -1.58 1 24 ASN 3.43 -1.33 1 25 GLU 3.18 -0.80 1 27 PHE 3.48 0.30 1 28 GLN 3.61 -1.19 1 29 LYS 0.46 -0.56 1 31 ASP -0.78 -2.38 1 34 GLN 3.48 -1.02 1 35 ALA 3.65 -0.55 1 36 MET 6.27 -2.27 1 37 LYS 3.93 -0.90 1 38 HIS 4.00 -1.00 1 39 TYR 4.36 -2.01 1 40 THR 6.72 -1.07 1 41 GLU 3.32 -1.18 1 42 ALA 3.40 -0.73 1 43 ILE 3.81 -0.31 1 44 LYS 3.61 -1.11 1 45 ARG 1.97 -0.56 1 46 ASN -0.07 -0.07 1 48 LYS 0.47 -1.67 1 49 ASP -0.25 -1.07 1 50 ALA 2.07 0.99 1 51 LYS 4.89 -1.78 1 52 LEU 2.49 -0.31 1 53 TYR 4.32 -0.65 1 54 SER 4.52 -1.62 1 55 ASN 4.76 -2.62 1 56 ARG 7.39 -1.83 1 57 ALA 2.79 0.79 1 58 ALA 3.83 -1.28 1 60 TYR 3.52 -0.52 1 61 THR 7.86 -2.02 1 62 LYS 3.32 -2.31 1 63 LEU -0.29 -0.76 1 65 GLU -0.56 -2.81 1 66 PHE 4.61 -1.32 1 67 GLN 5.54 -2.56 1 68 LEU 6.76 -4.38 1 69 ALA 3.92 -0.59 1 70 LEU 4.95 -1.47 1 72 ASP 4.21 -1.12 1 74 GLU 3.49 -1.88 1 75 GLU 4.78 -3.23 1 77 ILE 3.36 -0.25 1 78 GLN 3.56 -1.05 1 79 LEU -0.22 1.64 1 80 GLU -2.24 1.58 1 82 THR 0.36 -1.02 1 83 PHE -0.65 -1.34 1 84 ILE 3.96 -0.83 1 85 LYS 1.76 -1.62 1 87 TYR 2.87 -0.57 1 88 THR 7.98 -3.43 1 89 ARG 4.66 -1.63 1 91 ALA 6.20 -3.65 1 92 ALA 3.45 -1.08 1 93 ALA 5.32 -2.48 1 94 LEU 3.15 -0.60 1 95 GLU 3.04 -0.51 1 96 ALA 3.81 -1.74 1 97 MET -0.08 0.75 1 100 TYR 5.19 -1.16 1 101 THR 6.17 -2.11 1 102 LYS 3.81 -0.92 1 103 ALA 3.37 -0.21 1 104 MET 4.62 1.00 1 105 ASP 3.80 -0.89 1 106 VAL 5.92 -2.14 1 107 TYR 5.20 -0.65 1 108 GLN 4.15 -1.15 1 109 LYS 4.42 -2.08 1 110 ALA 3.96 -1.41 1 111 LEU 1.70 -0.59 1 112 ASP 3.46 -1.90 1 113 LEU 1.35 0.08 1 114 ASP -1.18 0.17 1 115 SER 2.84 -1.01 1 116 SER -0.50 0.16 1 118 LYS 3.41 -0.74 1 119 GLU 2.83 -0.43 1 120 ALA 1.80 -0.99 1 121 ALA 3.59 -1.30 1 122 ASP 4.02 -1.98 1 124 TYR 6.18 -0.90 1 125 GLN 4.18 -1.26 1 126 ARG 3.63 0.19 1 128 MET 4.38 -1.36 1 129 MET 2.23 -0.95 1 130 ALA 3.18 -2.60 1 131 GLN 1.39 -0.29 1 132 TYR 0.15 -0.49 1 133 ASN 0.33 1.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18166_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.24 _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 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 7.97 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 98 LYS 5.53 -1.59 0 11 MET -0.75 -0.05 1 12 ASN 0.47 -0.11 1 14 ASP 1.17 -0.10 1 15 LEU 2.36 -0.19 1 16 ALA 1.92 -0.21 1 17 LEU 2.03 -0.20 1 18 MET 2.21 -0.21 1 19 VAL 2.77 -0.29 1 20 LYS 3.24 -0.34 1 21 ASN 2.30 -0.16 1 22 LYS 3.69 -0.30 1 24 ASN 3.43 -0.16 1 25 GLU 3.18 -0.30 1 27 PHE 3.48 -0.87 1 28 GLN 3.61 -0.32 1 29 LYS 0.46 -0.08 1 31 ASP -0.78 0.03 1 34 GLN 3.48 -0.42 1 35 ALA 3.65 -0.25 1 36 MET 6.27 -0.59 1 37 LYS 3.93 -0.41 1 38 HIS 4.00 -0.10 1 39 TYR 4.36 -0.09 1 40 THR 6.72 -0.48 1 41 GLU 3.32 -0.37 1 42 ALA 3.40 -0.35 1 43 ILE 3.81 -0.85 1 44 LYS 3.61 -0.38 1 45 ARG 1.97 -0.17 1 46 ASN -0.07 0.02 1 48 LYS 0.47 0.31 1 49 ASP -0.25 0.05 1 50 ALA 2.07 -0.28 1 51 LYS 4.89 -0.44 1 52 LEU 2.49 -0.67 1 53 TYR 4.32 -0.67 1 54 SER 4.52 -0.49 1 55 ASN 4.76 -0.64 1 56 ARG 7.39 -0.21 1 57 ALA 2.79 -0.06 1 58 ALA 3.83 -0.24 1 60 TYR 3.52 -0.26 1 61 THR 7.86 -0.09 1 62 LYS 3.32 -0.40 1 63 LEU -0.29 -0.12 1 64 LEU 4.87 -1.37 1 65 GLU -0.56 0.05 1 66 PHE 4.61 -0.59 1 67 GLN 5.54 -0.36 1 68 LEU 6.76 -0.57 1 69 ALA 3.92 -0.19 1 70 LEU 4.95 -0.53 1 72 ASP 4.21 -0.03 1 74 GLU 3.49 -0.45 1 75 GLU 4.78 -0.46 1 77 ILE 3.36 -0.69 1 78 GLN 3.56 -0.44 1 79 LEU -0.22 -0.25 1 80 GLU -2.24 0.21 1 82 THR 0.36 0.26 1 83 PHE -0.65 0.51 1 84 ILE 3.96 -0.22 1 85 LYS 1.76 0.14 1 87 TYR 2.87 -0.61 1 88 THR 7.98 -0.02 1 89 ARG 4.66 -0.26 1 91 ALA 6.20 -0.83 1 92 ALA 3.45 -0.20 1 93 ALA 5.32 -0.33 1 94 LEU 3.15 -0.22 1 95 GLU 3.04 -1.00 1 96 ALA 3.81 -0.37 1 97 MET -0.08 -0.77 1 99 ASP -0.02 0.20 1 100 TYR 5.19 -0.61 1 101 THR 6.17 -0.34 1 102 LYS 3.81 -0.18 1 103 ALA 3.37 -0.65 1 104 MET 4.62 -0.54 1 105 ASP 3.80 -0.13 1 106 VAL 5.92 -0.37 1 107 TYR 5.20 -0.28 1 108 GLN 4.15 -0.51 1 109 LYS 4.42 -0.32 1 110 ALA 3.96 -0.54 1 111 LEU 1.70 -0.26 1 112 ASP 3.46 -0.39 1 113 LEU 1.35 -0.18 1 114 ASP -1.18 0.00 1 115 SER 2.84 -0.20 1 116 SER -0.50 0.01 1 118 LYS 3.41 -0.35 1 119 GLU 2.83 -0.22 1 120 ALA 1.80 0.05 1 121 ALA 3.59 -0.32 1 122 ASP 4.02 -0.37 1 124 TYR 6.18 -0.94 1 125 GLN 4.18 -0.46 1 126 ARG 3.63 -0.41 1 128 MET 4.38 -0.49 1 129 MET 2.23 -0.27 1 130 ALA 3.18 -0.41 1 131 GLN 1.39 -0.33 1 132 TYR 0.15 0.09 1 133 ASN 0.33 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18166_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.18 _LACS_plot.Line_1_terminator_val_y_1 -0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.68 _LACS_plot.Line_2_terminator_val_x_2 7.97 _LACS_plot.Line_2_terminator_val_y_2 3.44 _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 98 LYS 5.53 -1.89 0 11 MET -0.75 -0.83 1 14 ASP 1.17 0.69 1 15 LEU 2.36 0.64 1 16 ALA 1.92 0.87 1 17 LEU 2.03 0.34 1 18 MET 2.21 1.50 1 19 VAL 2.77 0.79 1 20 LYS 3.24 0.41 1 21 ASN 2.30 1.74 1 22 LYS 3.69 2.25 1 24 ASN 3.43 2.14 1 25 GLU 3.18 2.39 1 27 PHE 3.48 2.75 1 28 GLN 3.61 1.25 1 29 LYS 0.46 -0.02 1 31 ASP -0.78 -0.31 1 34 GLN 3.48 2.40 1 35 ALA 3.65 0.74 1 36 MET 6.27 2.61 1 37 LYS 3.93 2.74 1 38 HIS 4.00 4.40 1 39 TYR 4.36 1.97 1 40 THR 6.72 1.08 1 42 ALA 3.40 2.08 1 43 ILE 3.81 0.29 1 44 LYS 3.61 2.56 1 45 ARG 1.97 0.30 1 48 LYS 0.47 -1.69 1 49 ASP -0.25 -0.32 1 50 ALA 2.07 1.17 1 51 LYS 4.89 2.72 1 52 LEU 2.49 1.49 1 53 TYR 4.32 2.32 1 54 SER 4.52 2.24 1 55 ASN 4.76 2.41 1 56 ARG 7.39 2.22 1 57 ALA 2.79 2.91 1 58 ALA 3.83 2.80 1 60 TYR 3.52 1.85 1 61 THR 7.86 3.19 1 62 LYS 3.32 1.19 1 63 LEU -0.29 -2.35 1 64 LEU 4.87 -1.57 1 65 GLU -0.56 0.48 1 66 PHE 4.61 1.84 1 67 GLN 5.54 3.02 1 68 LEU 6.76 2.43 1 69 ALA 3.92 2.24 1 70 LEU 4.95 1.56 1 72 ASP 4.21 3.17 1 74 GLU 3.49 2.94 1 75 GLU 4.78 0.45 1 77 ILE 3.36 1.00 1 78 GLN 3.56 2.77 1 79 LEU -0.22 1.03 1 82 THR 0.36 -1.10 1 83 PHE -0.65 1.56 1 84 ILE 3.96 0.33 1 85 LYS 1.76 1.75 1 87 TYR 2.87 2.56 1 88 THR 7.98 3.68 1 89 ARG 4.66 2.43 1 91 ALA 6.20 0.75 1 92 ALA 3.45 3.56 1 93 ALA 5.32 0.66 1 94 LEU 3.15 1.33 1 95 GLU 3.04 3.68 1 96 ALA 3.81 1.07 1 97 MET -0.08 -1.67 1 99 ASP -0.02 0.07 1 100 TYR 5.19 2.06 1 101 THR 6.17 2.08 1 102 LYS 3.81 2.63 1 103 ALA 3.37 1.20 1 104 MET 4.62 1.10 1 105 ASP 3.80 2.24 1 106 VAL 5.92 2.15 1 107 TYR 5.20 2.83 1 108 GLN 4.15 1.39 1 109 LYS 4.42 2.40 1 110 ALA 3.96 0.64 1 111 LEU 1.70 1.39 1 112 ASP 3.46 1.97 1 113 LEU 1.35 0.38 1 114 ASP -1.18 -0.78 1 115 SER 2.84 0.61 1 116 SER -0.50 -0.66 1 118 LYS 3.41 1.14 1 119 GLU 2.83 3.21 1 120 ALA 1.80 -0.32 1 121 ALA 3.59 2.81 1 122 ASP 4.02 2.91 1 124 TYR 6.18 0.80 1 125 GLN 4.18 2.09 1 126 ARG 3.63 4.10 1 128 MET 4.38 2.46 1 129 MET 2.23 1.85 1 130 ALA 3.18 0.63 1 131 GLN 1.39 -0.15 1 132 TYR 0.15 -0.92 1 stop_ save_