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 bmr18976_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.24 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.88 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 5.07 _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 95 GLU 0.30 -2.73 0 100 ASN -6.24 -2.24 0 10 GLU 4.27 3.17 1 11 GLN 3.19 2.68 1 12 ILE 6.15 4.86 1 13 ALA 4.22 2.62 1 14 GLU 3.57 2.52 1 15 PHE 3.28 1.16 1 16 LYS 5.20 3.67 1 17 GLU 3.50 2.41 1 18 ALA 3.63 2.33 1 19 PHE 4.52 4.06 1 20 SER 3.55 2.71 1 21 LEU 2.97 1.70 1 22 PHE 0.19 1.32 1 23 ASP 0.34 -2.16 1 24 LYS 2.68 1.96 1 25 ASP 0.17 -1.74 1 27 ASP 0.14 -0.71 1 29 THR -4.56 -2.04 1 30 ILE -1.46 -0.96 1 31 THR -4.76 -2.40 1 32 THR 6.79 4.45 1 33 LYS 3.61 2.74 1 34 GLU 2.89 2.54 1 35 LEU 2.75 2.73 1 37 THR 6.27 4.85 1 38 VAL 5.59 3.76 1 39 MET 5.18 3.49 1 40 ARG 4.95 2.89 1 41 SER 4.29 2.95 1 42 LEU -0.14 -0.87 1 44 GLN -2.39 -1.52 1 45 ASN -0.55 -0.34 1 47 THR -2.92 -1.72 1 48 GLU 4.35 3.14 1 49 ALA 3.45 2.22 1 50 GLU 2.79 2.26 1 51 LEU 2.92 2.58 1 52 GLN 4.00 2.50 1 53 ASP 4.20 3.06 1 54 MET 3.68 3.71 1 55 ILE 5.20 3.38 1 56 ASN 3.73 2.49 1 57 GLU 1.83 2.03 1 58 VAL -1.25 -1.78 1 59 ASP 0.50 -0.73 1 60 ALA 1.43 1.48 1 61 ASP -0.24 -1.79 1 63 ASN 0.65 -0.88 1 65 THR -4.39 -2.50 1 66 ILE -2.04 -1.42 1 67 ASP -3.05 -2.36 1 68 PHE 2.84 1.97 1 70 GLU 3.22 3.33 1 71 PHE 4.16 2.50 1 72 LEU 6.23 4.51 1 73 THR 3.19 3.20 1 74 MET 2.28 0.07 1 75 MET 3.20 1.88 1 76 ALA 2.93 2.04 1 77 ARG 1.41 0.52 1 78 LYS 0.89 0.94 1 79 MET 0.23 -0.06 1 80 LYS 0.40 0.09 1 81 ASP 0.36 0.15 1 82 THR 0.35 0.29 1 83 ASP 0.89 0.64 1 84 SER 2.61 1.94 1 85 GLU 3.60 2.77 1 86 GLU 2.94 2.31 1 87 GLU 3.16 2.62 1 88 LEU 4.85 3.41 1 89 ARG 2.96 1.99 1 90 GLU 3.76 2.23 1 91 ALA 4.20 3.53 1 92 PHE 3.83 2.84 1 93 ARG 4.19 2.83 1 94 VAL 2.87 1.66 1 96 ASP 3.07 2.40 1 97 LYS -0.03 -1.54 1 98 ASP 0.40 -0.62 1 102 TYR -0.78 -0.66 1 103 ILE -5.37 -2.80 1 104 SER 4.58 3.16 1 105 ALA 3.40 2.34 1 106 ALA 3.68 2.54 1 107 GLU 3.15 2.19 1 108 LEU 4.87 3.79 1 109 ARG 4.19 3.45 1 110 ILE 4.80 3.49 1 111 VAL 3.84 1.32 1 112 MET 5.26 4.10 1 113 THR 3.35 2.05 1 114 ASN 0.80 0.40 1 115 ARG -1.92 -1.42 1 117 GLU 0.32 -0.93 1 118 LYS -3.18 -1.26 1 119 LEU -2.29 -1.19 1 120 THR 5.34 3.55 1 121 ASP 4.20 3.17 1 122 GLU 2.18 2.49 1 123 GLU 6.39 4.53 1 124 VAL 4.17 3.18 1 125 ASP 3.19 2.37 1 126 GLU 4.40 3.74 1 127 MET 5.52 2.71 1 128 ILE 4.64 3.62 1 129 ARG 1.38 1.30 1 130 GLU 1.55 1.09 1 131 THR 0.41 -0.25 1 132 ASP 2.09 1.77 1 133 ILE 0.60 -0.66 1 134 ASP 0.39 -0.82 1 136 ASP -5.25 -2.91 1 138 GLN -1.15 -0.52 1 139 VAL -1.76 -2.43 1 140 ASN 5.60 4.16 1 141 TYR 4.83 3.48 1 142 GLU 2.69 1.97 1 143 GLU 3.65 3.75 1 144 PHE 6.08 4.46 1 145 VAL 4.45 2.87 1 146 GLN 2.30 1.51 1 147 ARG 1.22 0.09 1 148 MET -0.01 -0.03 1 149 THR 0.40 0.03 1 150 ALA 0.71 1.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18976_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.24 _LACS_plot.Line_1_terminator_val_y_1 3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _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 95 GLU 0.30 -3.03 0 100 ASN -6.24 4.00 0 10 GLU 4.27 -1.10 1 11 GLN 3.19 -0.51 1 12 ILE 6.15 -1.29 1 13 ALA 4.22 -1.60 1 14 GLU 3.57 -1.05 1 15 PHE 3.28 -2.12 1 16 LYS 5.20 -1.53 1 17 GLU 3.50 -1.09 1 18 ALA 3.63 -1.30 1 19 PHE 4.52 -0.46 1 20 SER 3.55 -0.84 1 21 LEU 2.97 -1.27 1 22 PHE 0.19 1.13 1 23 ASP 0.34 -2.50 1 24 LYS 2.68 -0.72 1 25 ASP 0.17 -1.91 1 27 ASP 0.14 -0.85 1 29 THR -4.56 2.52 1 30 ILE -1.46 0.50 1 31 THR -4.76 2.36 1 32 THR 6.79 -2.34 1 33 LYS 3.61 -0.87 1 34 GLU 2.89 -0.35 1 35 LEU 2.75 -0.02 1 37 THR 6.27 -1.42 1 38 VAL 5.59 -1.83 1 39 MET 5.18 -1.69 1 40 ARG 4.95 -2.06 1 41 SER 4.29 -1.34 1 42 LEU -0.14 -0.73 1 44 GLN -2.39 0.87 1 45 ASN -0.55 0.21 1 47 THR -2.92 1.20 1 48 GLU 4.35 -1.21 1 49 ALA 3.45 -1.23 1 50 GLU 2.79 -0.53 1 51 LEU 2.92 -0.34 1 52 GLN 4.00 -1.50 1 53 ASP 4.20 -1.14 1 54 MET 3.68 0.03 1 55 ILE 5.20 -1.82 1 56 ASN 3.73 -1.24 1 57 GLU 1.83 0.20 1 58 VAL -1.25 -0.53 1 59 ASP 0.50 -1.23 1 60 ALA 1.43 0.05 1 61 ASP -0.24 -1.55 1 63 ASN 0.65 -1.53 1 65 THR -4.39 1.89 1 66 ILE -2.04 0.62 1 67 ASP -3.05 0.69 1 68 PHE 2.84 -0.87 1 70 GLU 3.22 0.11 1 71 PHE 4.16 -1.66 1 72 LEU 6.23 -1.72 1 73 THR 3.19 0.01 1 74 MET 2.28 -2.21 1 75 MET 3.20 -1.32 1 76 ALA 2.93 -0.89 1 77 ARG 1.41 -0.89 1 78 LYS 0.89 0.05 1 79 MET 0.23 -0.29 1 80 LYS 0.40 -0.31 1 81 ASP 0.36 -0.21 1 82 THR 0.35 -0.06 1 83 ASP 0.89 -0.25 1 84 SER 2.61 -0.67 1 85 GLU 3.60 -0.83 1 86 GLU 2.94 -0.63 1 87 GLU 3.16 -0.54 1 88 LEU 4.85 -1.44 1 89 ARG 2.96 -0.97 1 90 GLU 3.76 -1.53 1 91 ALA 4.20 -0.67 1 92 PHE 3.83 -0.99 1 93 ARG 4.19 -1.36 1 94 VAL 2.87 -1.21 1 96 ASP 3.07 -0.67 1 97 LYS -0.03 -1.51 1 98 ASP 0.40 -1.02 1 102 TYR -0.78 0.12 1 103 ILE -5.37 2.57 1 104 SER 4.58 -1.42 1 105 ALA 3.40 -1.06 1 106 ALA 3.68 -1.14 1 107 GLU 3.15 -0.96 1 108 LEU 4.87 -1.08 1 109 ARG 4.19 -0.74 1 110 ILE 4.80 -1.31 1 111 VAL 3.84 -2.52 1 112 MET 5.26 -1.16 1 113 THR 3.35 -1.30 1 114 ASN 0.80 -0.40 1 115 ARG -1.92 0.50 1 117 GLU 0.32 -1.25 1 118 LYS -3.18 1.92 1 119 LEU -2.29 1.10 1 120 THR 5.34 -1.79 1 121 ASP 4.20 -1.03 1 122 GLU 2.18 0.31 1 123 GLU 6.39 -1.86 1 124 VAL 4.17 -0.99 1 125 ASP 3.19 -0.82 1 126 GLU 4.40 -0.66 1 127 MET 5.52 -2.81 1 128 ILE 4.64 -1.02 1 129 ARG 1.38 -0.08 1 130 GLU 1.55 -0.46 1 131 THR 0.41 -0.66 1 132 ASP 2.09 -0.32 1 133 ILE 0.60 -1.26 1 134 ASP 0.39 -1.21 1 136 ASP -5.25 2.34 1 138 GLN -1.15 0.63 1 139 VAL -1.76 -0.67 1 140 ASN 5.60 -1.44 1 141 TYR 4.83 -1.35 1 142 GLU 2.69 -0.72 1 143 GLU 3.65 0.10 1 144 PHE 6.08 -1.62 1 145 VAL 4.45 -1.58 1 146 GLN 2.30 -0.79 1 147 ARG 1.22 -1.13 1 148 MET -0.01 -0.02 1 149 THR 0.40 -0.37 1 150 ALA 0.71 0.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18976_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.24 _LACS_plot.Line_1_terminator_val_y_1 0.57 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.79 _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 40 ARG 4.95 0.49 0 91 ALA 4.20 -1.49 0 10 GLU 4.27 -0.28 1 11 GLN 3.19 -0.47 1 12 ILE 6.15 -0.45 1 13 ALA 4.22 -0.18 1 14 GLU 3.57 -0.19 1 15 PHE 3.28 0.44 1 16 LYS 5.20 -0.28 1 17 GLU 3.50 -0.19 1 18 ALA 3.63 0.00 1 19 PHE 4.52 -1.39 1 20 SER 3.55 -0.33 1 21 LEU 2.97 -0.32 1 22 PHE 0.19 -0.38 1 23 ASP 0.34 -0.09 1 24 LYS 2.68 -0.34 1 25 ASP 0.17 -0.03 1 27 ASP 0.14 -0.12 1 29 THR -4.56 0.96 1 30 ILE -1.46 0.81 1 31 THR -4.76 0.45 1 32 THR 6.79 -0.55 1 33 LYS 3.61 -0.17 1 34 GLU 2.89 -0.28 1 35 LEU 2.75 -0.22 1 37 THR 6.27 -0.41 1 38 VAL 5.59 -0.60 1 39 MET 5.18 -0.35 1 41 SER 4.29 -0.05 1 42 LEU -0.14 0.18 1 44 GLN -2.39 0.16 1 45 ASN -0.55 0.15 1 47 THR -2.92 0.10 1 48 GLU 4.35 -0.34 1 49 ALA 3.45 -0.20 1 50 GLU 2.79 -0.30 1 51 LEU 2.92 -0.25 1 52 GLN 4.00 -0.50 1 53 ASP 4.20 -0.21 1 54 MET 3.68 -0.44 1 55 ILE 5.20 -0.65 1 56 ASN 3.73 -0.35 1 57 GLU 1.83 -0.31 1 58 VAL -1.25 0.36 1 59 ASP 0.50 0.00 1 60 ALA 1.43 -0.10 1 61 ASP -0.24 -0.02 1 63 ASN 0.65 -0.08 1 65 THR -4.39 0.42 1 66 ILE -2.04 1.02 1 67 ASP -3.05 0.74 1 68 PHE 2.84 -0.24 1 70 GLU 3.22 -0.65 1 71 PHE 4.16 -0.97 1 72 LEU 6.23 -0.60 1 73 THR 3.19 -0.71 1 74 MET 2.28 -0.48 1 75 MET 3.20 -0.23 1 76 ALA 2.93 -0.24 1 77 ARG 1.41 -0.08 1 78 LYS 0.89 -0.13 1 79 MET 0.23 0.01 1 80 LYS 0.40 0.05 1 81 ASP 0.36 -0.03 1 82 THR 0.35 0.06 1 83 ASP 0.89 -0.01 1 84 SER 2.61 -0.14 1 85 GLU 3.60 -0.29 1 86 GLU 2.94 -0.20 1 87 GLU 3.16 0.05 1 88 LEU 4.85 -0.29 1 89 ARG 2.96 -0.18 1 90 GLU 3.76 -0.11 1 92 PHE 3.83 -0.47 1 93 ARG 4.19 -0.52 1 94 VAL 2.87 -0.34 1 95 GLU 0.30 -0.19 1 96 ASP 3.07 -0.42 1 97 LYS -0.03 -0.07 1 98 ASP 0.40 -0.11 1 100 ASN -6.24 0.64 1 102 TYR -0.78 0.65 1 103 ILE -5.37 0.38 1 104 SER 4.58 -0.39 1 105 ALA 3.40 -0.28 1 106 ALA 3.68 -0.36 1 107 GLU 3.15 -0.27 1 108 LEU 4.87 -0.48 1 109 ARG 4.19 -0.38 1 110 ILE 4.80 -0.36 1 111 VAL 3.84 -0.08 1 112 MET 5.26 -0.16 1 113 THR 3.35 -0.15 1 114 ASN 0.80 0.09 1 115 ARG -1.92 0.06 1 117 GLU 0.32 0.08 1 118 LYS -3.18 0.43 1 119 LEU -2.29 0.13 1 120 THR 5.34 -0.41 1 121 ASP 4.20 -0.23 1 122 GLU 2.18 -0.33 1 123 GLU 6.39 -0.51 1 124 VAL 4.17 -0.29 1 125 ASP 3.19 -0.33 1 126 GLU 4.40 -0.34 1 127 MET 5.52 -0.65 1 128 ILE 4.64 -0.27 1 129 ARG 1.38 -0.26 1 130 GLU 1.55 -0.11 1 131 THR 0.41 -0.16 1 132 ASP 2.09 -0.19 1 133 ILE 0.60 -0.11 1 134 ASP 0.39 -0.16 1 136 ASP -5.25 0.53 1 138 GLN -1.15 0.99 1 139 VAL -1.76 0.53 1 140 ASN 5.60 -1.16 1 141 TYR 4.83 -0.67 1 142 GLU 2.69 -0.36 1 143 GLU 3.65 -0.65 1 144 PHE 6.08 -0.93 1 145 VAL 4.45 -0.42 1 146 GLN 2.30 -0.17 1 147 ARG 1.22 -0.18 1 148 MET -0.01 0.00 1 149 THR 0.40 0.01 1 150 ALA 0.71 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18976_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.24 _LACS_plot.Line_1_terminator_val_y_1 -1.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.09 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 2.95 _LACS_plot.Y_axis_chem_shift_offset -0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 THR -4.76 1.84 0 10 GLU 4.27 2.59 1 11 GLN 3.19 2.32 1 12 ILE 6.15 1.33 1 13 ALA 4.22 3.22 1 14 GLU 3.57 3.93 1 15 PHE 3.28 2.90 1 16 LYS 5.20 2.73 1 17 GLU 3.50 2.86 1 18 ALA 3.63 1.26 1 19 PHE 4.52 1.49 1 20 SER 3.55 0.36 1 21 LEU 2.97 0.41 1 22 PHE 0.19 0.96 1 23 ASP 0.34 0.87 1 24 LYS 2.68 1.53 1 25 ASP 0.17 1.39 1 27 ASP 0.14 1.15 1 29 THR -4.56 -1.83 1 30 ILE -1.46 -0.33 1 32 THR 6.79 2.49 1 33 LYS 3.61 3.28 1 34 GLU 2.89 2.54 1 35 LEU 2.75 1.33 1 37 THR 6.27 2.44 1 38 VAL 5.59 2.94 1 39 MET 5.18 2.82 1 40 ARG 4.95 4.92 1 41 SER 4.29 0.24 1 42 LEU -0.14 -0.06 1 44 GLN -2.39 -1.87 1 47 THR -2.92 0.46 1 48 GLU 4.35 2.35 1 49 ALA 3.45 2.43 1 50 GLU 2.79 3.58 1 51 LEU 2.92 0.89 1 52 GLN 4.00 2.52 1 53 ASP 4.20 2.33 1 54 MET 3.68 2.58 1 55 ILE 5.20 1.36 1 56 ASN 3.73 2.19 1 57 GLU 1.83 0.97 1 58 VAL -1.25 -0.55 1 59 ASP 0.50 -0.08 1 60 ALA 1.43 0.83 1 61 ASP -0.24 1.55 1 63 ASN 0.65 1.64 1 65 THR -4.39 -1.51 1 66 ILE -2.04 -0.87 1 67 ASP -3.05 0.02 1 70 GLU 2.84 2.17 1 71 PHE 3.22 1.24 1 72 LEU 4.16 1.35 1 73 THR 6.23 1.26 1 74 MET 3.19 1.80 1 75 MET 2.28 2.40 1 76 ALA 3.20 1.88 1 77 ARG 2.93 1.40 1 78 LYS 1.41 0.93 1 79 MET 0.89 0.02 1 80 LYS 0.23 -0.20 1 81 ASP 0.40 0.34 1 82 THR 0.36 -0.12 1 83 ASP 0.35 0.37 1 84 SER 0.89 0.79 1 85 GLU 2.61 1.12 1 86 GLU 3.60 2.28 1 87 GLU 2.94 3.22 1 88 LEU 3.16 1.31 1 89 ARG 4.85 3.21 1 90 GLU 2.96 1.47 1 91 ALA 3.76 2.05 1 92 PHE 4.20 0.65 1 93 ARG 3.83 2.12 1 94 VAL 4.19 1.03 1 95 GLU 2.87 0.35 1 96 ASP 0.30 0.90 1 97 LYS 3.07 1.73 1 98 ASP -0.03 1.48 1 100 ASN 0.40 0.77 1 102 TYR -6.24 -1.16 1 103 ILE -0.78 -0.77 1 104 SER -5.37 0.59 1 105 ALA 4.58 1.47 1 106 ALA 3.40 3.38 1 107 GLU 3.68 2.67 1 108 LEU 3.15 0.95 1 109 ARG 4.87 2.84 1 110 ILE 4.19 1.40 1 111 VAL 4.80 2.50 1 112 MET 3.84 2.59 1 113 THR 5.26 3.41 1 114 ASN 3.35 1.44 1 115 ARG 0.80 0.07 1 117 GLU -1.92 -1.04 1 118 LYS 0.32 -1.16 1 119 LEU -3.18 0.53 1 120 THR -2.29 0.81 1 121 ASP 5.34 2.36 1 122 GLU 4.20 2.58 1 123 GLU 2.18 3.52 1 124 VAL 6.39 1.04 1 125 ASP 4.17 3.02 1 126 GLU 3.19 1.37 1 127 MET 4.40 3.56 1 128 ILE 5.52 1.26 1 129 ARG 4.64 2.62 1 130 GLU 1.38 0.75 1 131 THR 1.55 -0.55 1 132 ASP 0.41 -0.52 1 133 ILE 2.09 1.23 1 134 ASP 0.60 1.96 1 136 ASP 0.39 1.28 1 138 GLN -5.25 -1.32 1 139 VAL -1.15 -0.54 1 140 ASN -1.76 -0.12 1 141 TYR 5.60 0.19 1 142 GLU 4.83 3.63 1 143 GLU 2.69 2.46 1 144 PHE 3.65 1.18 1 145 VAL 6.08 2.93 1 146 GLN 4.45 1.82 1 147 ARG 2.30 1.81 1 148 MET 1.22 1.33 1 149 THR -0.01 -0.55 1 stop_ save_