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 bmr18548_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.94 _LACS_plot.Line_1_terminator_val_y_1 -2.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 6.31 _LACS_plot.Line_2_terminator_val_y_2 4.94 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 ASN -6.22 0.42 0 10 LYS 3.10 2.39 1 11 ALA 4.38 3.10 1 12 LEU 3.87 2.78 1 13 GLU 3.15 3.01 1 14 VAL 5.63 4.39 1 15 TYR 4.81 4.27 1 16 ASP 3.40 3.06 1 17 LEU -0.06 1.55 1 18 ILE 2.48 1.64 1 19 ARG 5.25 2.42 1 20 THR 0.05 -1.03 1 21 ILE 2.16 1.67 1 22 ARG -0.60 0.01 1 23 ASP -1.76 1.68 1 25 GLU -3.45 0.16 1 26 LYS -0.58 0.08 1 29 THR -3.24 -1.48 1 30 LEU 2.81 2.42 1 31 GLU 1.74 2.73 1 32 GLU 2.56 2.67 1 33 LEU -1.48 -0.79 1 34 GLU 4.64 1.42 1 35 VAL 1.21 1.32 1 36 VAL -6.75 -4.10 1 37 SER -2.32 -0.54 1 38 GLU 4.29 3.66 1 39 SER 1.34 0.72 1 41 VAL -2.50 -1.12 1 42 GLU -5.35 -1.33 1 43 VAL -3.07 -1.46 1 44 GLN -5.30 -2.19 1 45 GLU -0.84 0.52 1 46 ILE 1.94 1.92 1 47 ASN -1.55 -0.84 1 48 GLU 3.08 2.49 1 49 GLU -0.71 -0.09 1 50 GLU -3.90 -0.54 1 51 TYR -3.09 -0.38 1 52 LEU -2.90 -0.93 1 53 VAL -1.53 -0.92 1 54 ILE -3.39 -1.13 1 55 ILE -4.79 -1.83 1 56 ARG -2.96 -1.99 1 57 PHE -5.13 -2.68 1 58 THR -1.65 -0.68 1 60 THR 3.30 2.77 1 61 VAL -3.25 -1.43 1 63 HIS -0.49 1.02 1 65 SER 4.27 2.97 1 66 LEU 1.56 1.42 1 67 ALA 3.80 3.64 1 68 THR 6.19 4.72 1 69 LEU 3.16 3.42 1 70 ILE 6.32 5.28 1 72 LEU 3.08 2.98 1 74 LEU 3.34 3.32 1 75 ARG 4.47 3.83 1 76 VAL 5.45 4.32 1 77 LYS 3.66 3.57 1 78 LEU 5.22 3.00 1 79 GLN 4.72 3.57 1 80 ARG 1.76 3.06 1 82 LEU 0.16 0.09 1 84 PHE -5.34 -4.18 1 85 LYS 2.11 1.47 1 86 HIS -2.74 0.66 1 87 LYS -3.37 -0.93 1 88 LEU -4.78 -1.58 1 89 GLU -4.10 -0.99 1 90 ILE -4.34 -2.32 1 91 TYR -6.94 -2.63 1 92 ILE -1.38 -1.49 1 93 SER 1.45 0.96 1 94 GLU 1.06 1.17 1 96 THR 1.25 0.97 1 98 SER 2.09 1.97 1 99 THR -0.04 -0.73 1 100 GLU 2.45 2.39 1 101 GLU 2.47 2.34 1 102 ASP 2.09 2.07 1 103 ILE 4.96 4.03 1 104 ASN 3.51 2.67 1 105 LYS 3.61 3.07 1 106 GLN 4.12 3.78 1 107 ILE 2.60 1.76 1 108 ASN -1.46 0.97 1 109 ASP -1.34 -0.18 1 110 LYS 4.64 4.00 1 111 GLU 3.34 2.67 1 112 ARG 3.68 2.62 1 113 VAL 5.61 4.62 1 114 ALA 3.85 2.69 1 115 ALA 3.29 2.31 1 116 ALA 3.34 2.75 1 117 MET 2.08 0.20 1 118 GLU -0.28 -0.08 1 119 ASN -1.07 -0.65 1 121 ASN 3.30 2.95 1 122 LEU 3.24 2.17 1 123 ARG 4.63 3.72 1 124 GLU 3.18 2.79 1 125 ILE 3.75 3.42 1 126 VAL 4.80 4.07 1 127 GLU 3.30 2.16 1 128 GLN 3.28 2.63 1 130 VAL 0.61 -0.68 1 131 LEU 0.26 0.42 1 132 GLU -0.21 0.17 1 134 ASP 0.86 0.59 1 135 GLN 0.29 0.35 1 136 LEU 0.51 0.42 1 137 GLU -0.11 0.21 1 138 HIS -0.46 1.05 1 139 HIS 1.03 2.51 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18548_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.94 _LACS_plot.Line_1_terminator_val_y_1 4.22 _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 0.91 _LACS_plot.Line_2_terminator_val_x_2 6.31 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 ASN -6.22 6.64 0 10 LYS 3.10 -0.71 1 11 ALA 4.38 -1.28 1 12 LEU 3.87 -1.09 1 13 GLU 3.15 -0.14 1 14 VAL 5.63 -1.24 1 15 TYR 4.81 -0.54 1 16 ASP 3.40 -0.34 1 17 LEU -0.06 1.61 1 18 ILE 2.48 -0.84 1 19 ARG 5.25 -2.83 1 20 THR 0.05 -1.08 1 21 ILE 2.16 -0.49 1 22 ARG -0.60 0.61 1 23 ASP -1.76 3.44 1 25 GLU -3.45 3.61 1 26 LYS -0.58 0.66 1 29 THR -3.24 1.76 1 30 LEU 2.81 -0.39 1 31 GLU 1.74 0.99 1 32 GLU 2.56 0.11 1 33 LEU -1.48 0.69 1 34 GLU 4.64 -3.22 1 35 VAL 1.21 0.11 1 36 VAL -6.75 2.65 1 37 SER -2.32 1.78 1 38 GLU 4.29 -0.63 1 39 SER 1.34 -0.62 1 41 VAL -2.50 1.38 1 42 GLU -5.35 4.02 1 43 VAL -3.07 1.61 1 44 GLN -5.30 3.11 1 45 GLU -0.84 1.36 1 46 ILE 1.94 -0.02 1 47 ASN -1.55 0.71 1 48 GLU 3.08 -0.59 1 49 GLU -0.71 0.62 1 50 GLU -3.90 3.36 1 51 TYR -3.09 2.71 1 52 LEU -2.90 1.97 1 53 VAL -1.53 0.61 1 54 ILE -3.39 2.26 1 55 ILE -4.79 2.96 1 56 ARG -2.96 0.97 1 57 PHE -5.13 2.45 1 58 THR -1.65 0.97 1 60 THR 3.30 -0.53 1 61 VAL -3.25 1.82 1 63 HIS -0.49 1.51 1 65 SER 4.27 -1.30 1 66 LEU 1.56 -0.14 1 67 ALA 3.80 -0.16 1 68 THR 6.19 -1.47 1 69 LEU 3.16 0.26 1 70 ILE 6.32 -1.04 1 72 LEU 3.08 -0.10 1 74 LEU 3.34 -0.02 1 75 ARG 4.47 -0.64 1 76 VAL 5.45 -1.13 1 77 LYS 3.66 -0.09 1 78 LEU 5.22 -2.22 1 79 GLN 4.72 -1.15 1 80 ARG 1.76 1.30 1 82 LEU 0.16 -0.07 1 84 PHE -5.34 1.16 1 85 LYS 2.11 -0.64 1 86 HIS -2.74 3.40 1 87 LYS -3.37 2.44 1 88 LEU -4.78 3.20 1 89 GLU -4.10 3.11 1 90 ILE -4.34 2.02 1 91 TYR -6.94 4.31 1 92 ILE -1.38 -0.11 1 93 SER 1.45 -0.49 1 94 GLU 1.06 0.11 1 96 THR 1.25 -0.28 1 98 SER 2.09 -0.12 1 99 THR -0.04 -0.69 1 100 GLU 2.45 -0.06 1 101 GLU 2.47 -0.13 1 102 ASP 2.09 -0.02 1 103 ILE 4.96 -0.93 1 104 ASN 3.51 -0.84 1 105 LYS 3.61 -0.54 1 106 GLN 4.12 -0.34 1 107 ILE 2.60 -0.84 1 108 ASN -1.46 2.43 1 109 ASP -1.34 1.16 1 110 LYS 4.64 -0.64 1 111 GLU 3.34 -0.67 1 112 ARG 3.68 -1.06 1 113 VAL 5.61 -0.99 1 114 ALA 3.85 -1.16 1 115 ALA 3.29 -0.98 1 116 ALA 3.34 -0.59 1 117 MET 2.08 -1.88 1 118 GLU -0.28 0.20 1 119 ASN -1.07 0.42 1 121 ASN 3.30 -0.35 1 122 LEU 3.24 -1.07 1 123 ARG 4.63 -0.91 1 124 GLU 3.18 -0.39 1 125 ILE 3.75 -0.33 1 126 VAL 4.80 -0.73 1 127 GLU 3.30 -1.14 1 128 GLN 3.28 -0.65 1 130 VAL 0.61 -1.29 1 131 LEU 0.26 0.16 1 132 GLU -0.21 0.38 1 134 ASP 0.86 -0.27 1 135 GLN 0.29 0.06 1 136 LEU 0.51 -0.09 1 137 GLU -0.11 0.32 1 138 HIS -0.46 1.51 1 139 HIS 1.03 1.48 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18548_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.94 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _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 6.31 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 ARG -2.96 1.56 0 86 HIS -2.74 1.56 0 38 GLU 4.29 -1.65 0 10 LYS 3.10 -0.16 1 11 ALA 4.38 -0.41 1 12 LEU 3.87 -0.12 1 13 GLU 3.15 -0.24 1 14 VAL 5.63 -0.71 1 15 TYR 4.81 -0.49 1 16 ASP 3.40 -0.50 1 17 LEU -0.06 -0.12 1 18 ILE 2.48 0.04 1 19 ARG 5.25 -0.72 1 20 THR 0.05 -0.16 1 21 ILE 2.16 -0.22 1 22 ARG -0.60 -0.02 1 23 ASP -1.76 -0.34 1 25 GLU -3.45 0.14 1 26 LYS -0.58 -0.02 1 28 ASN -6.22 0.47 1 29 THR -3.24 0.58 1 30 LEU 2.81 -0.37 1 31 GLU 1.74 -0.08 1 32 GLU 2.56 -0.33 1 33 LEU -1.48 0.02 1 34 GLU 4.64 -0.36 1 35 VAL 1.21 0.38 1 36 VAL -6.75 0.86 1 37 SER -2.32 0.41 1 39 SER 1.34 -0.08 1 41 VAL -2.50 0.81 1 42 GLU -5.35 0.35 1 43 VAL -3.07 1.27 1 44 GLN -5.30 0.67 1 45 GLU -0.84 -0.12 1 46 ILE 1.94 0.00 1 47 ASN -1.55 -0.18 1 48 GLU 3.08 -0.36 1 49 GLU -0.71 -0.13 1 50 GLU -3.90 0.34 1 51 TYR -3.09 0.54 1 52 LEU -2.90 0.72 1 53 VAL -1.53 0.70 1 54 ILE -3.39 1.22 1 55 ILE -4.79 0.87 1 57 PHE -5.13 0.93 1 58 THR -1.65 0.18 1 60 THR 3.30 -0.25 1 61 VAL -3.25 0.20 1 63 HIS -0.49 -0.12 1 65 SER 4.27 -0.08 1 66 LEU 1.56 0.04 1 67 ALA 3.80 -0.20 1 68 THR 6.19 -0.55 1 69 LEU 3.16 -0.35 1 70 ILE 6.32 -0.69 1 72 LEU 3.08 -0.29 1 74 LEU 3.34 -0.79 1 75 ARG 4.47 -0.64 1 76 VAL 5.45 -0.54 1 77 LYS 3.66 -0.44 1 78 LEU 5.22 -0.52 1 79 GLN 4.72 -0.20 1 80 ARG 1.76 -0.14 1 82 LEU 0.16 -0.48 1 84 PHE -5.34 0.47 1 85 LYS 2.11 0.04 1 87 LYS -3.37 0.22 1 88 LEU -4.78 1.38 1 89 GLU -4.10 0.07 1 90 ILE -4.34 0.88 1 91 TYR -6.94 0.59 1 92 ILE -1.38 -0.20 1 93 SER 1.45 -0.38 1 94 GLU 1.06 -0.13 1 96 THR 1.25 -0.05 1 98 SER 2.09 -0.07 1 99 THR -0.04 0.31 1 100 GLU 2.45 -0.36 1 101 GLU 2.47 -0.15 1 102 ASP 2.09 -0.09 1 103 ILE 4.96 -0.51 1 104 ASN 3.51 -0.17 1 105 LYS 3.61 -0.12 1 106 GLN 4.12 -0.32 1 107 ILE 2.60 0.04 1 108 ASN -1.46 0.08 1 109 ASP -1.34 0.08 1 110 LYS 4.64 -0.46 1 111 GLU 3.34 -0.16 1 112 ARG 3.68 -0.19 1 113 VAL 5.61 -0.57 1 114 ALA 3.85 -0.31 1 115 ALA 3.29 -0.21 1 116 ALA 3.34 -0.16 1 117 MET 2.08 -0.09 1 118 GLU -0.28 -0.12 1 119 ASN -1.07 -0.03 1 121 ASN 3.30 -0.24 1 122 LEU 3.24 -0.13 1 123 ARG 4.63 -0.53 1 124 GLU 3.18 -0.32 1 125 ILE 3.75 -0.36 1 126 VAL 4.80 -0.45 1 127 GLU 3.30 -0.29 1 128 GLN 3.28 -0.24 1 130 VAL 0.61 0.33 1 131 LEU 0.26 -0.19 1 132 GLU -0.21 -0.08 1 134 ASP 0.86 -0.14 1 135 GLN 0.29 -0.05 1 136 LEU 0.51 -0.11 1 137 GLU -0.11 -0.20 1 138 HIS -0.46 -0.18 1 139 HIS 1.03 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18548_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.94 _LACS_plot.Line_1_terminator_val_y_1 4.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.85 _LACS_plot.Line_2_terminator_val_x_2 6.31 _LACS_plot.Line_2_terminator_val_y_2 -2.29 _LACS_plot.Y_axis_chem_shift_offset -0.82 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 THR 6.19 2.64 0 10 LYS 3.10 -1.46 1 11 ALA 4.38 -4.25 1 12 LEU 3.87 -3.18 1 13 GLU 3.15 -2.92 1 14 VAL 5.63 -1.07 1 15 TYR 4.81 1.06 1 16 ASP 3.40 -0.82 1 17 LEU -0.06 -2.68 1 18 ILE 2.48 -0.53 1 19 ARG 5.25 2.36 1 20 THR 0.05 3.37 1 21 ILE 2.16 2.18 1 22 ARG -0.60 2.00 1 23 ASP -1.76 3.37 1 25 GLU -3.45 0.27 1 28 ASN -6.22 4.67 1 29 THR -3.24 2.29 1 30 LEU 2.81 -4.08 1 31 GLU 1.74 -3.29 1 32 GLU 2.56 -1.78 1 33 LEU -1.48 0.27 1 34 GLU 4.64 1.21 1 35 VAL 1.21 -0.18 1 36 VAL -6.75 3.98 1 37 SER -2.32 4.05 1 38 GLU 4.29 -0.53 1 39 SER 1.34 3.55 1 41 VAL -2.50 3.12 1 42 GLU -5.35 2.68 1 43 VAL -3.07 2.54 1 44 GLN -5.30 2.11 1 45 GLU -0.84 0.59 1 46 ILE 1.94 1.28 1 47 ASN -1.55 4.49 1 48 GLU 3.08 0.33 1 49 GLU -0.71 2.49 1 50 GLU -3.90 2.59 1 51 TYR -3.09 3.45 1 52 LEU -2.90 1.41 1 53 VAL -1.53 3.84 1 54 ILE -3.39 0.91 1 55 ILE -4.79 2.55 1 56 ARG -2.96 1.58 1 57 PHE -5.13 4.18 1 60 THR 3.30 3.86 1 61 VAL -3.25 3.09 1 66 LEU 1.56 -2.17 1 67 ALA 3.80 -3.30 1 69 LEU 3.16 -3.38 1 70 ILE 6.32 -0.89 1 72 LEU 3.08 -2.59 1 74 LEU 3.34 -1.27 1 75 ARG 4.47 -1.25 1 76 VAL 5.45 -0.86 1 77 LYS 3.66 -1.83 1 78 LEU 5.22 -2.72 1 79 GLN 4.72 -1.58 1 80 ARG 1.76 -1.76 1 82 LEU 0.16 0.64 1 84 PHE -5.34 3.19 1 85 LYS 2.11 0.30 1 86 HIS -2.74 5.70 1 87 LYS -3.37 2.55 1 88 LEU -4.78 -0.23 1 89 GLU -4.10 3.44 1 90 ILE -4.34 3.41 1 91 TYR -6.94 2.43 1 92 ILE -1.38 -0.15 1 93 SER 1.45 4.48 1 99 THR -0.04 3.35 1 100 GLU 2.45 0.45 1 101 GLU 2.47 -1.21 1 102 ASP 2.09 -1.22 1 103 ILE 4.96 -0.16 1 104 ASN 3.51 -0.24 1 105 LYS 3.61 -2.24 1 106 GLN 4.12 -0.74 1 107 ILE 2.60 1.48 1 108 ASN -1.46 4.79 1 109 ASP -1.34 0.87 1 110 LYS 4.64 -2.15 1 111 GLU 3.34 -2.87 1 112 ARG 3.68 -2.98 1 113 VAL 5.61 -0.03 1 114 ALA 3.85 -4.77 1 115 ALA 3.29 -5.37 1 116 ALA 3.34 -3.64 1 117 MET 2.08 -0.45 1 118 GLU -0.28 0.54 1 119 ASN -1.07 5.78 1 121 ASN 3.30 1.12 1 122 LEU 3.24 -2.66 1 123 ARG 4.63 -0.51 1 124 GLU 3.18 -2.09 1 125 ILE 3.75 -0.99 1 126 VAL 4.80 -1.08 1 127 GLU 3.30 -2.75 1 130 VAL 0.61 1.29 1 131 LEU 0.26 -1.48 1 132 GLU -0.21 3.39 1 134 ASP 0.86 0.63 1 135 GLN 0.29 1.36 1 136 LEU 0.51 -1.56 1 137 GLU -0.11 0.56 1 138 HIS -0.46 5.32 1 139 HIS 1.03 0.00 1 stop_ save_