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 bmr5789_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 5.42 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 SER -1.35 4.58 0 10 LEU 3.06 2.62 1 11 SER 3.57 2.34 1 12 SER 2.40 2.33 1 13 VAL -1.58 -0.63 1 14 LEU -4.72 -1.33 1 15 ASN -4.05 -2.41 1 16 ARG 4.78 3.64 1 17 GLU 3.14 2.56 1 19 THR 1.43 0.72 1 20 ARG -6.79 -3.19 1 21 SER -5.41 -1.55 1 22 ARG 3.91 0.53 1 23 VAL 2.19 1.71 1 24 HIS -1.73 -1.77 1 26 GLN 3.08 3.25 1 27 SER 5.39 4.47 1 28 LYS 6.11 3.92 1 29 LYS 5.01 4.51 1 30 ARG 2.86 0.96 1 31 ALA 4.83 3.50 1 32 LEU 4.56 2.85 1 33 GLU 3.20 3.66 1 34 ILE 4.92 4.68 1 35 ILE 4.98 4.43 1 37 GLU 3.34 3.20 1 38 LEU 3.10 2.83 1 39 ALA 2.90 2.43 1 40 ALA 4.43 3.68 1 41 LYS 3.53 2.69 1 42 GLN 1.59 1.14 1 43 LEU -2.20 -0.34 1 44 SER 2.77 0.58 1 45 LEU -5.68 -1.84 1 48 GLN 5.21 3.73 1 49 VAL 3.97 3.41 1 50 VAL 5.49 4.35 1 51 PHE 3.89 3.85 1 52 GLU 3.46 2.75 1 53 ALA 4.22 3.15 1 54 ILE 3.59 2.70 1 55 LEU 3.53 2.43 1 56 THR 6.48 5.62 1 57 ARG 3.05 1.30 1 58 GLU 1.97 1.72 1 59 LYS 2.95 2.52 1 60 MET 1.44 1.14 1 62 SER -1.39 -0.61 1 63 THR 2.74 1.36 1 65 ILE 2.17 1.43 1 67 ASN 2.49 1.20 1 69 ILE -3.64 -2.21 1 70 ALA -7.23 -1.56 1 71 ILE -1.76 -1.43 1 73 HIS -1.93 0.33 1 75 LYS -3.42 -1.92 1 76 LEU -3.65 -2.22 1 77 GLU 0.41 0.29 1 78 GLU -0.23 0.63 1 79 ASP 1.36 0.68 1 80 THR 0.97 0.69 1 81 LEU 1.15 1.80 1 82 ARG -3.17 -1.60 1 83 ALA -1.34 -1.04 1 84 VAL -4.10 -0.29 1 86 VAL -5.98 -1.71 1 87 PHE -4.94 -1.88 1 88 VAL -6.19 -3.11 1 89 GLN -5.73 -2.25 1 90 LEU -1.17 -1.27 1 91 GLU 1.34 1.85 1 92 THR -3.23 -1.65 1 94 ILE -6.32 -2.49 1 95 ALA 2.43 1.51 1 96 PHE -8.35 -1.70 1 97 ASP 2.89 1.16 1 98 ALA -3.30 0.13 1 99 ILE 2.18 2.07 1 100 ASP -1.55 -2.07 1 101 ASN 2.22 1.70 1 102 GLN 0.37 -0.41 1 104 VAL -3.84 -0.88 1 105 ASP -2.49 -1.20 1 106 LEU -3.70 -1.18 1 107 LEU -2.45 -0.56 1 108 PHE -4.67 -2.19 1 109 ALA -6.97 -1.50 1 110 LEU -2.69 -3.93 1 111 LEU -1.08 -0.98 1 112 VAL 2.76 2.70 1 114 ALA 1.11 0.44 1 115 ASP -0.34 -0.39 1 116 GLN 3.94 3.14 1 119 THR 1.03 3.78 1 120 HIS 4.27 2.96 1 121 LEU 2.62 3.91 1 122 HIS 7.15 4.94 1 123 THR 4.04 3.21 1 124 LEU 4.34 3.19 1 125 SER 3.26 2.72 1 126 LEU 6.51 4.78 1 127 VAL 4.49 3.09 1 128 ALA 3.56 2.99 1 129 LYS 4.32 2.97 1 130 ARG 1.61 0.28 1 131 LEU 0.29 -0.19 1 132 ALA -1.49 0.02 1 133 ASP 4.09 3.47 1 134 LYS 6.67 4.66 1 135 THR 5.83 3.43 1 136 ILE 4.73 3.74 1 138 ARG 4.21 3.62 1 139 ARG 2.50 2.87 1 140 LEU 4.97 4.03 1 141 ARG -1.12 -0.80 1 142 ALA 0.78 1.00 1 143 ALA -2.04 -0.45 1 144 GLN -4.60 -1.52 1 145 SER 5.04 3.63 1 146 ASP 3.20 2.68 1 147 GLU 1.73 2.57 1 148 GLU 2.37 3.10 1 149 LEU 4.47 4.60 1 150 TYR 4.56 3.38 1 151 GLN 3.86 3.83 1 152 ILE 2.33 1.46 1 153 ILE 1.06 0.90 1 154 THR 1.02 0.75 1 155 ASP 0.50 -0.02 1 156 THR -0.08 0.50 1 157 GLU -0.10 0.08 1 159 THR 0.15 0.39 1 161 ASP -0.95 -0.22 1 162 GLU 0.15 1.39 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5789_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 5.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 SER -1.35 5.93 0 10 LEU 3.06 -0.44 1 11 SER 3.57 -1.23 1 12 SER 2.40 -0.07 1 13 VAL -1.58 0.95 1 14 LEU -4.72 3.39 1 15 ASN -4.05 1.64 1 16 ARG 4.78 -1.14 1 17 GLU 3.14 -0.58 1 19 THR 1.43 -0.71 1 20 ARG -6.79 3.60 1 21 SER -5.41 3.86 1 22 ARG 3.91 -3.38 1 23 VAL 2.19 -0.48 1 24 HIS -1.73 -0.04 1 26 GLN 3.08 0.17 1 27 SER 5.39 -0.92 1 28 LYS 6.11 -2.19 1 29 LYS 5.01 -0.50 1 30 ARG 2.86 -1.90 1 31 ALA 4.83 -1.33 1 32 LEU 4.56 -1.71 1 33 GLU 3.20 0.46 1 34 ILE 4.92 -0.24 1 35 ILE 4.98 -0.55 1 37 GLU 3.34 -0.14 1 38 LEU 3.10 -0.27 1 39 ALA 2.90 -0.47 1 40 ALA 4.43 -0.75 1 41 LYS 3.53 -0.84 1 42 GLN 1.59 -0.45 1 43 LEU -2.20 1.86 1 44 SER 2.77 -2.19 1 45 LEU -5.68 3.84 1 48 GLN 5.21 -1.48 1 49 VAL 3.97 -0.56 1 50 VAL 5.49 -1.14 1 51 PHE 3.89 -0.04 1 52 GLU 3.46 -0.71 1 53 ALA 4.22 -1.07 1 54 ILE 3.59 -0.89 1 55 LEU 3.53 -1.10 1 56 THR 6.48 -0.86 1 57 ARG 3.05 -1.75 1 58 GLU 1.97 -0.25 1 59 LYS 2.95 -0.43 1 60 MET 1.44 -0.30 1 62 SER -1.39 0.78 1 63 THR 2.74 -1.38 1 65 ILE 2.17 -0.74 1 67 ASN 2.49 -1.29 1 69 ILE -3.64 1.43 1 70 ALA -7.23 5.67 1 71 ILE -1.76 0.33 1 73 HIS -1.93 2.26 1 75 LYS -3.42 1.50 1 76 LEU -3.65 1.43 1 77 GLU 0.41 -0.12 1 78 GLU -0.23 0.86 1 79 ASP 1.36 -0.68 1 80 THR 0.97 -0.28 1 81 LEU 1.15 0.65 1 82 ARG -3.17 1.57 1 83 ALA -1.34 0.30 1 84 VAL -4.10 3.81 1 86 VAL -5.98 4.27 1 87 PHE -4.94 3.06 1 88 VAL -6.19 3.08 1 89 GLN -5.73 3.48 1 90 LEU -1.17 -0.10 1 91 GLU 1.34 0.51 1 92 THR -3.23 1.58 1 94 ILE -6.32 3.83 1 95 ALA 2.43 -0.92 1 96 PHE -8.35 6.65 1 97 ASP 2.89 -1.73 1 98 ALA -3.30 3.43 1 99 ILE 2.18 -0.11 1 100 ASP -1.55 -0.52 1 101 ASN 2.22 -0.52 1 102 GLN 0.37 -0.78 1 104 VAL -3.84 2.96 1 105 ASP -2.49 1.29 1 106 LEU -3.70 2.52 1 107 LEU -2.45 1.89 1 108 PHE -4.67 2.48 1 109 ALA -6.97 5.47 1 110 LEU -2.69 -1.24 1 111 LEU -1.08 0.10 1 112 VAL 2.76 -0.06 1 114 ALA 1.11 -0.67 1 115 ASP -0.34 -0.05 1 116 GLN 3.94 -0.80 1 119 THR 1.03 2.75 1 120 HIS 4.27 -1.31 1 121 LEU 2.62 1.29 1 122 HIS 7.15 -2.21 1 123 THR 4.04 -0.83 1 124 LEU 4.34 -1.15 1 125 SER 3.26 -0.54 1 126 LEU 6.51 -1.73 1 127 VAL 4.49 -1.40 1 128 ALA 3.56 -0.57 1 129 LYS 4.32 -1.35 1 130 ARG 1.61 -1.33 1 131 LEU 0.29 -0.48 1 132 ALA -1.49 1.51 1 133 ASP 4.09 -0.62 1 134 LYS 6.67 -2.01 1 135 THR 5.83 -2.40 1 136 ILE 4.73 -0.99 1 138 ARG 4.21 -0.59 1 139 ARG 2.50 0.37 1 140 LEU 4.97 -0.94 1 141 ARG -1.12 0.32 1 142 ALA 0.78 0.22 1 143 ALA -2.04 1.59 1 144 GLN -4.60 3.08 1 145 SER 5.04 -1.41 1 146 ASP 3.20 -0.52 1 147 GLU 1.73 0.84 1 148 GLU 2.37 0.73 1 149 LEU 4.47 0.13 1 150 TYR 4.56 -1.18 1 151 GLN 3.86 -0.03 1 152 ILE 2.33 -0.87 1 153 ILE 1.06 -0.16 1 154 THR 1.02 -0.27 1 155 ASP 0.50 -0.52 1 156 THR -0.08 0.58 1 157 GLU -0.10 0.18 1 159 THR 0.15 0.24 1 161 ASP -0.95 0.73 1 162 GLU 0.15 1.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5789_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 HIS -1.73 -1.63 0 10 LEU 3.06 -0.30 1 11 SER 3.57 0.03 1 12 SER 2.40 -0.03 1 13 VAL -1.58 0.48 1 14 LEU -4.72 0.73 1 15 ASN -4.05 0.32 1 16 ARG 4.78 -0.95 1 17 GLU 3.14 -0.24 1 19 THR 1.43 1.28 1 20 ARG -6.79 0.42 1 21 SER -5.41 0.28 1 22 ARG 3.91 -1.03 1 23 VAL 2.19 -0.32 1 26 GLN 3.08 -0.02 1 27 SER 5.39 -0.19 1 28 LYS 6.11 -0.51 1 29 LYS 5.01 -0.51 1 30 ARG 2.86 -0.09 1 31 ALA 4.83 -0.31 1 32 LEU 4.56 -0.30 1 33 GLU 3.20 -0.50 1 34 ILE 4.92 -0.50 1 35 ILE 4.98 -0.65 1 36 SER -1.35 -0.42 1 37 GLU 3.34 -0.49 1 38 LEU 3.10 -0.22 1 39 ALA 2.90 -0.42 1 40 ALA 4.43 -0.58 1 41 LYS 3.53 -0.15 1 42 GLN 1.59 -0.24 1 43 LEU -2.20 -0.04 1 44 SER 2.77 -0.46 1 45 LEU -5.68 0.30 1 48 GLN 5.21 -0.21 1 49 VAL 3.97 -0.27 1 50 VAL 5.49 -0.68 1 51 PHE 3.89 -0.42 1 52 GLU 3.46 -0.50 1 53 ALA 4.22 -0.05 1 54 ILE 3.59 -0.07 1 55 LEU 3.53 -0.62 1 56 THR 6.48 -0.62 1 57 ARG 3.05 0.08 1 58 GLU 1.97 -0.37 1 59 LYS 2.95 0.31 1 60 MET 1.44 -0.15 1 62 SER -1.39 0.27 1 63 THR 2.74 -0.01 1 65 ILE 2.17 0.18 1 67 ASN 2.49 -0.39 1 69 ILE -3.64 1.05 1 70 ALA -7.23 1.03 1 71 ILE -1.76 1.57 1 73 HIS -1.93 0.60 1 75 LYS -3.42 0.87 1 76 LEU -3.65 0.30 1 77 GLU 0.41 -0.03 1 78 GLU -0.23 -0.07 1 79 ASP 1.36 -0.06 1 80 THR 0.97 -0.09 1 81 LEU 1.15 -0.09 1 82 ARG -3.17 0.32 1 83 ALA -1.34 0.50 1 84 VAL -4.10 0.33 1 86 VAL -5.98 0.31 1 87 PHE -4.94 1.26 1 88 VAL -6.19 0.79 1 89 GLN -5.73 0.65 1 90 LEU -1.17 0.39 1 91 GLU 1.34 -0.39 1 92 THR -3.23 0.19 1 94 ILE -6.32 0.62 1 95 ALA 2.43 -0.20 1 96 PHE -8.35 0.12 1 97 ASP 2.89 -0.18 1 98 ALA -3.30 0.27 1 99 ILE 2.18 -0.02 1 100 ASP -1.55 0.10 1 101 ASN 2.22 -0.40 1 102 GLN 0.37 0.18 1 104 VAL -3.84 -0.16 1 105 ASP -2.49 -0.04 1 106 LEU -3.70 0.78 1 107 LEU -2.45 1.07 1 108 PHE -4.67 0.99 1 109 ALA -6.97 0.67 1 110 LEU -2.69 0.86 1 111 LEU -1.08 -0.53 1 112 VAL 2.76 -0.39 1 114 ALA 1.11 0.04 1 115 ASP -0.34 0.13 1 116 GLN 3.94 -0.32 1 119 THR 7.15 -0.70 1 123 THR 4.04 -0.54 1 124 LEU 4.34 -0.29 1 125 SER 3.26 -0.33 1 126 LEU 6.51 -0.97 1 127 VAL 4.49 -0.55 1 128 ALA 3.56 -0.36 1 129 LYS 4.32 -0.30 1 130 ARG 1.61 -0.37 1 131 LEU 0.29 -0.11 1 132 ALA -1.49 -0.08 1 133 ASP 4.09 -0.36 1 134 LYS 6.67 -0.35 1 135 THR 5.83 -0.48 1 136 ILE 4.73 -0.31 1 138 ARG 4.21 -0.34 1 139 ARG 2.50 -0.40 1 140 LEU 4.97 -0.38 1 141 ARG -1.12 0.10 1 142 ALA 0.78 -0.18 1 143 ALA -2.04 0.12 1 144 GLN -4.60 0.36 1 145 SER 5.04 -0.52 1 146 ASP 3.20 -0.29 1 147 GLU 1.73 -0.34 1 148 GLU 2.37 -0.56 1 149 LEU 4.47 -0.66 1 150 TYR 4.56 -0.66 1 151 GLN 3.86 -0.45 1 152 ILE 2.33 -0.38 1 153 ILE 1.06 -0.39 1 154 THR 1.02 -0.04 1 155 ASP 0.50 0.00 1 156 THR -0.08 -0.07 1 157 GLU -0.10 0.01 1 159 THR 0.15 -0.09 1 161 ASP -0.95 -0.06 1 162 GLU 0.15 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5789_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _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 7.14 _LACS_plot.Line_2_terminator_val_y_2 2.64 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 PHE -8.35 1.37 0 10 LEU 3.06 0.83 1 11 SER 3.57 0.29 1 12 SER 2.40 0.55 1 13 VAL -1.58 -2.67 1 14 LEU -4.72 -3.89 1 15 ASN -4.05 1.56 1 16 ARG 4.78 3.17 1 17 GLU 3.14 0.69 1 19 THR 1.43 -0.55 1 20 ARG -6.79 -3.39 1 21 SER -5.41 -1.73 1 22 ARG 3.91 -0.97 1 27 SER 5.39 0.80 1 28 LYS 6.11 0.03 1 29 LYS 5.01 1.44 1 30 ARG 2.86 1.56 1 31 ALA 4.83 1.53 1 32 LEU 4.56 2.78 1 33 GLU 3.20 2.51 1 34 ILE 4.92 2.33 1 35 ILE 4.98 0.91 1 37 GLU 3.34 2.94 1 38 LEU 3.10 1.80 1 39 ALA 2.90 1.68 1 40 ALA 4.43 1.83 1 41 LYS 3.53 2.78 1 42 GLN 1.59 1.38 1 43 LEU -2.20 -2.03 1 44 SER 2.77 -0.97 1 48 GLN 5.21 2.20 1 49 VAL 3.97 2.33 1 50 VAL 5.49 0.19 1 51 PHE 3.89 1.32 1 52 GLU 3.46 2.71 1 53 ALA 4.22 3.10 1 54 ILE 3.59 2.63 1 55 LEU 3.53 1.10 1 56 THR 6.48 1.37 1 57 ARG 3.05 3.76 1 58 GLU 1.97 -0.42 1 59 LYS 2.95 1.74 1 60 MET 1.44 0.43 1 62 SER -1.39 3.58 1 63 THR 2.74 1.59 1 65 ILE 2.17 -0.75 1 67 ASN 2.49 1.17 1 69 ILE -3.64 -0.64 1 70 ALA -7.23 -2.71 1 73 HIS -1.93 -1.89 1 75 LYS -3.42 -1.43 1 76 LEU -3.65 -1.01 1 77 GLU 0.41 -1.77 1 78 GLU -0.23 0.29 1 79 ASP 1.36 -0.22 1 80 THR 0.97 0.35 1 81 LEU 1.15 -1.06 1 82 ARG -3.17 -0.45 1 83 ALA -1.34 -1.80 1 84 VAL -4.10 -2.69 1 86 VAL -5.98 -3.21 1 87 PHE -4.94 -2.75 1 88 VAL -6.19 -4.36 1 89 GLN -5.73 -1.58 1 90 LEU -1.17 -0.51 1 91 GLU 1.34 -0.82 1 94 ILE -6.32 -0.62 1 95 ALA 2.43 0.58 1 97 ASP 2.89 -0.47 1 98 ALA -3.30 3.18 1 99 ILE 2.18 -1.41 1 100 ASP -1.55 0.41 1 101 ASN 2.22 -1.43 1 104 VAL -3.84 -1.96 1 105 ASP -2.49 -2.66 1 106 LEU -3.70 -3.04 1 107 LEU -2.45 -4.02 1 108 PHE -4.67 -3.14 1 109 ALA -6.97 -3.88 1 110 LEU -2.69 1.91 1 111 LEU 2.76 0.40 1 114 ALA 1.11 0.61 1 115 ASP -0.34 0.50 1 116 GLN 3.94 1.55 1 119 THR 1.03 2.86 1 120 HIS 2.62 3.08 1 122 HIS 7.15 0.91 1 123 THR 4.04 0.97 1 124 LEU 4.34 2.11 1 125 SER 3.26 2.18 1 126 LEU 6.51 0.65 1 127 VAL 4.49 1.77 1 128 ALA 3.56 2.60 1 129 LYS 4.32 1.04 1 130 ARG 1.61 -2.59 1 131 LEU 0.29 0.41 1 132 ALA -1.49 0.33 1 133 ASP 4.09 2.78 1 134 LYS 6.67 1.86 1 135 THR 5.83 2.06 1 136 ILE 4.73 3.23 1 138 ARG 4.21 3.36 1 139 ARG 2.50 1.54 1 140 LEU 4.97 0.10 1 141 ARG -1.12 -0.24 1 142 ALA 0.78 0.55 1 143 ALA -2.04 -1.18 1 144 GLN -4.60 -0.39 1 145 SER 5.04 2.27 1 146 ASP 3.20 1.47 1 147 GLU 1.73 1.65 1 148 GLU 2.37 -0.02 1 149 LEU 4.47 2.67 1 150 TYR 4.56 1.96 1 151 GLN 3.86 2.92 1 152 ILE 2.33 -0.70 1 153 ILE 1.06 -0.23 1 154 THR 1.02 0.12 1 155 ASP 0.50 0.33 1 156 THR -0.08 0.50 1 157 GLU 0.15 -0.31 1 161 ASP -0.95 -1.59 1 stop_ save_