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 bmr30043_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.42 _LACS_plot.Line_1_terminator_val_y_1 -3.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.91 _LACS_plot.Line_2_terminator_val_x_2 9.68 _LACS_plot.Line_2_terminator_val_y_2 7.23 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ILE -0.40 -3.86 0 107 ILE -7.57 -1.88 0 10 ALA -4.40 -1.61 1 11 ASP -1.29 -0.62 1 12 ILE 4.15 3.09 1 13 ALA 1.92 1.05 1 14 THR -0.77 -0.84 1 15 ALA 0.56 1.38 1 16 ILE -0.91 -1.17 1 17 GLU 2.19 2.00 1 18 ASP 2.29 2.68 1 19 ALA -8.42 -3.71 1 20 VAL -3.53 -1.56 1 21 VAL -0.61 -1.98 1 22 ASN -4.55 -2.40 1 23 ALA 0.43 -1.85 1 24 ALA -4.49 -1.09 1 26 HIS 1.84 2.97 1 27 ARG 0.13 -0.98 1 29 GLN -3.59 -2.51 1 30 VAL 4.16 1.82 1 34 VAL 0.31 0.02 1 36 ARG 5.61 4.46 1 37 ALA 2.62 2.21 1 38 VAL 5.33 4.07 1 39 ALA 1.97 1.87 1 40 ARG 2.93 1.98 1 41 LYS 0.55 0.33 1 42 TRP 5.38 4.87 1 44 GLN 3.99 1.41 1 45 ALA 1.16 0.42 1 46 PHE 3.57 0.24 1 47 ARG 1.13 0.41 1 48 ASN 1.66 0.20 1 49 ALA 0.00 -0.36 1 50 ALA 2.37 1.58 1 51 THR -1.10 -0.35 1 53 VAL 3.73 1.78 1 55 THR -4.53 -2.21 1 56 ALA -6.26 -2.92 1 57 LYS -4.14 -1.23 1 58 THR 3.31 1.13 1 59 VAL -3.67 -1.73 1 60 LYS -0.22 -0.05 1 62 ASP 4.73 2.62 1 63 GLU 0.51 -0.21 1 64 THR -0.76 0.59 1 65 TYR 0.27 0.31 1 67 ILE -1.60 -1.68 1 68 HIS 0.08 1.19 1 69 ALA -5.51 -2.51 1 70 VAL 1.59 -1.35 1 73 ASN -0.65 -2.41 1 74 PHE 5.15 4.04 1 75 ASN 2.89 3.02 1 76 ASN -2.00 -0.96 1 77 THR -2.20 -1.97 1 78 SER -2.36 -1.19 1 79 GLU 4.55 2.99 1 80 ALA 3.50 2.73 1 81 GLU 2.77 2.43 1 83 ASP 3.87 5.22 1 84 ARG 4.16 2.73 1 85 ASP 3.77 2.80 1 86 LEU 2.89 1.95 1 87 ALA 4.53 2.99 1 88 ALA 3.46 2.58 1 89 ALA 4.49 2.43 1 90 TYR 4.92 4.82 1 91 ARG 6.14 4.67 1 92 ALA 3.27 1.81 1 93 VAL 6.43 4.70 1 94 ALA 3.78 2.80 1 95 ALA 3.78 2.31 1 96 GLU 2.61 1.20 1 97 ILE 4.79 2.65 1 98 ASN 3.42 1.86 1 99 ARG 3.51 3.19 1 100 LEU -0.38 -0.88 1 101 SER 2.67 -0.13 1 102 ILE 0.35 0.15 1 103 SER 1.88 2.10 1 104 SER -4.39 -2.25 1 105 VAL -6.23 -3.86 1 106 ALA -6.26 -2.87 1 109 LEU 0.10 -1.28 1 110 LEU 0.06 -0.35 1 111 SER 8.23 3.53 1 112 THR -1.54 -1.13 1 115 PHE -0.54 -2.48 1 116 SER 1.57 2.98 1 117 ALA 1.74 -0.41 1 119 LYS -3.44 -2.24 1 122 VAL 8.28 5.40 1 123 HIS 5.31 5.63 1 124 GLN 3.96 2.63 1 125 SER 2.70 3.29 1 126 LEU 2.44 1.86 1 128 HIS -0.27 2.84 1 129 LEU 5.29 4.37 1 130 LEU 2.99 1.49 1 131 ALA 2.90 2.06 1 132 ALA 0.38 1.12 1 133 MET 2.84 0.57 1 134 ASP 2.91 1.98 1 135 THR 0.83 0.26 1 136 THR -4.29 -1.95 1 137 GLU -2.94 -3.64 1 138 ALA -0.60 -0.69 1 139 ARG 2.50 0.11 1 140 VAL -1.13 -1.10 1 141 THR -1.47 -1.92 1 142 ILE -1.28 -0.94 1 143 TYR -1.95 -1.80 1 146 ASP 3.05 2.70 1 147 LYS 1.18 -0.76 1 148 THR 5.29 3.55 1 149 TRP 2.99 1.85 1 150 GLU 3.26 3.31 1 151 GLN 4.11 2.76 1 152 LYS 3.79 3.40 1 153 ILE 3.94 3.71 1 154 LYS 5.39 4.36 1 155 THR 9.68 6.82 1 156 VAL 5.74 4.05 1 157 LEU 4.12 2.49 1 158 GLN 2.84 1.85 1 159 ASN 0.38 0.36 1 160 ARG 2.07 1.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30043_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.42 _LACS_plot.Line_1_terminator_val_y_1 4.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _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 9.68 _LACS_plot.Line_2_terminator_val_y_2 -2.45 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ILE -0.40 -3.46 0 107 ILE -7.57 5.69 0 10 ALA -4.40 2.79 1 11 ASP -1.29 0.67 1 12 ILE 4.15 -1.06 1 13 ALA 1.92 -0.87 1 14 THR -0.77 -0.07 1 15 ALA 0.56 0.82 1 16 ILE -0.91 -0.26 1 17 GLU 2.19 -0.19 1 18 ASP 2.29 0.39 1 19 ALA -8.42 4.71 1 20 VAL -3.53 1.97 1 21 VAL -0.61 -1.37 1 22 ASN -4.55 2.15 1 23 ALA 0.43 -2.28 1 24 ALA -4.49 3.40 1 26 HIS 1.84 1.13 1 27 ARG 0.13 -1.11 1 29 GLN -3.59 1.08 1 30 VAL 4.16 -2.34 1 34 VAL 0.31 -0.29 1 36 ARG 5.61 -1.15 1 37 ALA 2.62 -0.41 1 38 VAL 5.33 -1.26 1 39 ALA 1.97 -0.10 1 40 ARG 2.93 -0.95 1 41 LYS 0.55 -0.22 1 42 TRP 5.38 -0.51 1 44 GLN 3.99 -2.58 1 45 ALA 1.16 -0.74 1 46 PHE 3.57 -3.33 1 47 ARG 1.13 -0.72 1 48 ASN 1.66 -1.46 1 49 ALA 0.00 -0.36 1 50 ALA 2.37 -0.79 1 51 THR -1.10 0.75 1 53 VAL 3.73 -1.95 1 55 THR -4.53 2.32 1 56 ALA -6.26 3.34 1 57 LYS -4.14 2.91 1 58 THR 3.31 -2.18 1 59 VAL -3.67 1.94 1 60 LYS -0.22 0.17 1 62 ASP 4.73 -2.11 1 63 GLU 0.51 -0.72 1 64 THR -0.76 1.35 1 65 TYR 0.27 0.04 1 67 ILE -1.60 -0.08 1 68 HIS 0.08 1.11 1 69 ALA -5.51 3.00 1 70 VAL 1.59 -2.94 1 73 ASN -0.65 -1.76 1 74 PHE 5.15 -1.11 1 75 ASN 2.89 0.13 1 76 ASN -2.00 1.04 1 77 THR -2.20 0.23 1 78 SER -2.36 1.17 1 79 GLU 4.55 -1.56 1 80 ALA 3.50 -0.77 1 81 GLU 2.77 -0.34 1 83 ASP 3.87 1.35 1 84 ARG 4.16 -1.43 1 85 ASP 3.77 -0.97 1 86 LEU 2.89 -0.94 1 87 ALA 4.53 -1.54 1 88 ALA 3.46 -0.88 1 89 ALA 4.49 -2.06 1 90 TYR 4.92 -0.10 1 91 ARG 6.14 -1.47 1 92 ALA 3.27 -1.46 1 93 VAL 6.43 -1.73 1 94 ALA 3.78 -0.98 1 95 ALA 3.78 -1.47 1 96 GLU 2.61 -1.41 1 97 ILE 4.79 -2.14 1 98 ASN 3.42 -1.56 1 99 ARG 3.51 -0.32 1 100 LEU -0.38 -0.50 1 101 SER 2.67 -2.80 1 102 ILE 0.35 -0.20 1 103 SER 1.88 0.22 1 104 SER -4.39 2.14 1 105 VAL -6.23 2.37 1 106 ALA -6.26 3.39 1 109 LEU 0.10 -1.38 1 110 LEU 0.06 -0.41 1 111 SER 8.23 -4.70 1 112 THR -1.54 0.41 1 115 PHE -0.54 -1.94 1 116 SER 1.57 1.41 1 117 ALA 1.74 -2.15 1 119 LYS -3.44 1.20 1 122 VAL 8.28 -2.88 1 123 HIS 5.31 0.32 1 124 GLN 3.96 -1.33 1 125 SER 2.70 0.59 1 126 LEU 2.44 -0.58 1 128 HIS -0.27 3.11 1 129 LEU 5.29 -0.92 1 130 LEU 2.99 -1.50 1 131 ALA 2.90 -0.84 1 132 ALA 0.38 0.74 1 133 MET 2.84 -2.27 1 134 ASP 2.91 -0.93 1 135 THR 0.83 -0.57 1 136 THR -4.29 2.34 1 137 GLU -2.94 -0.70 1 138 ALA -0.60 -0.09 1 139 ARG 2.50 -2.39 1 140 VAL -1.13 0.03 1 141 THR -1.47 -0.45 1 142 ILE -1.28 0.34 1 143 TYR -1.95 0.15 1 146 ASP 3.05 -0.35 1 147 LYS 1.18 -1.94 1 148 THR 5.29 -1.74 1 149 TRP 2.99 -1.14 1 150 GLU 3.26 0.05 1 151 GLN 4.11 -1.35 1 152 LYS 3.79 -0.39 1 153 ILE 3.94 -0.23 1 154 LYS 5.39 -1.03 1 155 THR 9.68 -2.86 1 156 VAL 5.74 -1.69 1 157 LEU 4.12 -1.63 1 158 GLN 2.84 -0.99 1 159 ASN 0.38 -0.02 1 160 ARG 2.07 -0.99 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30043_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.42 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _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 9.68 _LACS_plot.Line_2_terminator_val_y_2 -0.93 _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 146 ASP 3.05 0.83 0 155 THR 9.68 -0.17 0 129 LEU 5.29 -1.73 0 10 ALA -4.40 0.10 1 11 ASP -1.29 0.07 1 13 ALA 1.92 -0.13 1 14 THR -0.77 -0.07 1 15 ALA 0.56 0.05 1 16 ILE -0.91 0.24 1 17 GLU 2.19 -0.41 1 18 ASP 2.29 -0.31 1 19 ALA -8.42 1.24 1 20 VAL -3.53 0.21 1 21 VAL -0.61 0.49 1 22 ASN -4.55 -0.14 1 23 ALA 0.43 0.19 1 24 ALA -4.49 0.18 1 26 HIS 1.84 0.31 1 27 ARG 0.13 -0.26 1 29 GLN -3.59 0.13 1 30 VAL 4.16 -0.60 1 34 VAL 0.31 -0.13 1 36 ARG 5.61 -0.49 1 37 ALA 2.62 -0.28 1 38 VAL 5.33 -0.27 1 39 ALA 1.97 -0.42 1 40 ARG 2.93 -0.48 1 41 LYS 0.55 -0.43 1 42 TRP 5.38 0.14 1 44 GLN 3.99 -0.06 1 45 ALA 1.16 -0.33 1 46 PHE 3.57 -0.67 1 47 ARG 1.13 -0.16 1 48 ASN 1.66 -0.27 1 49 ALA 0.00 -0.52 1 50 ALA 2.37 -0.94 1 51 THR -1.10 0.09 1 53 VAL 3.73 -0.66 1 55 THR -4.53 0.12 1 56 ALA -6.26 1.39 1 57 LYS -4.14 0.20 1 58 THR 3.31 0.59 1 59 VAL -3.67 0.11 1 60 LYS -0.22 -0.09 1 62 ASP 4.73 -0.65 1 63 GLU 0.51 -0.17 1 64 THR -0.76 -0.02 1 65 TYR 0.27 -0.18 1 66 ILE -0.40 0.44 1 67 ILE -1.60 0.01 1 68 HIS 0.08 -0.36 1 69 ALA -5.51 0.58 1 70 VAL 1.59 0.06 1 73 ASN -0.65 -0.32 1 74 PHE 5.15 -0.54 1 75 ASN 2.89 -0.32 1 76 ASN -2.00 0.16 1 77 THR -2.20 0.21 1 78 SER -2.36 0.14 1 79 GLU 4.55 -0.11 1 80 ALA 3.50 -0.14 1 81 GLU 2.77 -0.60 1 83 ASP 3.87 -0.22 1 84 ARG 4.16 -0.40 1 85 ASP 3.77 -0.18 1 86 LEU 2.89 -0.44 1 87 ALA 4.53 -0.54 1 88 ALA 3.46 -0.47 1 89 ALA 4.49 -0.80 1 90 TYR 4.92 -0.46 1 91 ARG 6.14 -0.49 1 92 ALA 3.27 -0.14 1 93 VAL 6.43 -0.99 1 94 ALA 3.78 -0.71 1 95 ALA 3.78 -0.23 1 96 GLU 2.61 -0.31 1 97 ILE 4.79 -0.89 1 98 ASN 3.42 -0.32 1 99 ARG 3.51 -0.35 1 100 LEU -0.38 -0.21 1 101 SER 2.67 -0.57 1 102 ILE 0.35 -0.27 1 103 SER 1.88 -0.15 1 104 SER -4.39 1.14 1 105 VAL -6.23 1.01 1 106 ALA -6.26 1.15 1 107 ILE -7.57 0.64 1 109 LEU 0.10 0.34 1 110 LEU 0.06 -0.15 1 115 PHE -0.54 0.32 1 116 SER 1.57 -0.24 1 117 ALA 1.74 -0.10 1 119 LYS -3.44 0.10 1 122 VAL 8.28 -1.27 1 123 HIS 5.31 -0.83 1 124 GLN 3.96 -0.54 1 125 SER 2.70 -0.24 1 126 LEU 2.44 -0.44 1 128 HIS -0.27 -0.02 1 130 LEU 2.99 -0.54 1 131 ALA 2.90 -0.38 1 132 ALA 0.38 -0.09 1 133 MET 2.84 0.03 1 134 ASP 2.91 -0.10 1 135 THR 0.83 0.18 1 136 THR -4.29 0.78 1 137 GLU -2.94 0.02 1 138 ALA -0.60 -0.28 1 139 ARG 2.50 0.08 1 140 VAL -1.13 0.25 1 141 THR -1.47 0.45 1 142 ILE -1.28 0.92 1 143 TYR -1.95 -0.13 1 147 LYS 1.18 0.81 1 148 THR 5.29 -0.17 1 150 GLU 3.26 -0.64 1 151 GLN 4.11 -0.39 1 152 LYS 3.79 -0.33 1 153 ILE 3.94 -0.81 1 154 LYS 5.39 -0.66 1 156 VAL 5.74 -0.56 1 157 LEU 4.12 -0.68 1 158 GLN 2.84 -0.30 1 159 ASN 0.38 -0.08 1 160 ARG 2.07 -0.25 1 stop_ save_