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 bmr4636_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.92 _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 0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.69 _LACS_plot.Line_2_terminator_val_x_2 9.99 _LACS_plot.Line_2_terminator_val_y_2 7.03 _LACS_plot.Y_axis_chem_shift_offset 0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 GLN -2.50 3.90 0 10 GLU -0.80 -0.60 1 12 VAL -4.25 -2.20 1 14 SER -3.80 -1.80 1 15 ALA -5.90 -1.90 1 16 TYR -4.00 -1.60 1 17 LEU -5.00 -2.50 1 18 PHE -1.20 -1.30 1 19 VAL -2.69 -1.42 1 20 GLU -6.43 -2.18 1 21 SER -2.01 -2.07 1 22 SER 0.42 -0.58 1 23 LEU -3.08 -2.01 1 24 ASP 3.00 1.70 1 25 LYS 0.80 0.00 1 26 VAL -0.60 -0.80 1 27 VAL 7.90 2.60 1 28 LEU 4.30 3.20 1 29 SER 6.50 3.20 1 30 ASP 3.68 2.28 1 31 ALA 3.23 1.87 1 32 TYR -0.02 1.48 1 33 ALA -0.67 -0.90 1 34 HIS -1.16 0.98 1 36 GLN 2.02 1.70 1 37 GLN 2.54 2.00 1 38 LYS 5.27 4.25 1 39 VAL 4.87 3.30 1 40 ALA 3.24 2.05 1 41 VAL 6.24 4.40 1 42 TYR 4.66 4.60 1 43 ARG 3.87 2.70 1 44 ALA 3.08 1.97 1 45 LEU 3.76 2.78 1 46 GLN 3.83 3.36 1 47 ALA 3.25 2.00 1 48 ALA 2.93 1.91 1 49 LEU 4.88 2.80 1 50 ALA 3.03 1.25 1 51 GLU 1.83 1.58 1 52 SER -0.52 -0.03 1 55 SER 1.70 0.30 1 57 ASP 2.60 0.93 1 58 VAL -1.67 -1.69 1 59 LEU -1.49 -0.90 1 60 GLN -3.89 -1.88 1 61 MET -1.87 -0.36 1 62 LEU -0.90 0.00 1 63 LYS -3.41 -0.70 1 64 ILE -0.53 -0.34 1 65 HIS -5.44 -1.44 1 66 ARG -0.43 -0.33 1 67 SER -0.91 -2.82 1 68 ASP 1.45 0.95 1 70 GLN -1.45 -0.20 1 71 LEU -3.84 -2.16 1 72 ILE -0.93 -0.91 1 73 VAL -2.52 -2.11 1 74 GLN -0.63 -0.87 1 75 LEU -4.10 -2.50 1 76 ARG -4.66 -2.23 1 77 PHE -4.40 -1.80 1 80 ARG 0.60 -0.70 1 81 GLN 10.00 6.40 1 85 ARG 4.79 3.47 1 86 PHE 4.84 3.55 1 87 LEU 3.69 2.32 1 88 ARG 5.16 3.53 1 89 ALA 3.30 1.92 1 90 TYR 4.13 3.29 1 91 ARG 2.99 2.78 1 92 GLU 0.37 -0.05 1 94 ALA 2.76 1.90 1 95 LEU 4.00 1.80 1 96 ARG 6.08 4.30 1 97 ALA 3.83 2.50 1 98 ALA 3.27 2.20 1 99 LEU 1.50 1.60 1 101 ARG 3.70 3.20 1 102 SER 5.40 3.30 1 103 LEU 4.00 2.36 1 104 ALA 5.70 3.43 1 105 ALA 3.14 1.63 1 106 ALA 1.19 1.59 1 107 LEU -0.20 -1.70 1 108 ALA 3.39 0.11 1 109 GLN -5.60 -3.30 1 110 HIS 2.90 3.30 1 111 SER -1.64 -1.55 1 112 VAL -1.21 -0.80 1 114 LEU -6.92 -2.20 1 115 GLN -2.79 -1.16 1 116 LEU -5.14 -2.47 1 117 GLU -5.09 -1.18 1 118 LEU -5.20 -2.14 1 119 ARG -5.73 -1.75 1 120 ALA -3.49 -1.65 1 122 ALA -0.28 -0.64 1 123 GLU -2.48 -1.37 1 124 ARG 1.19 -0.27 1 125 LEU 2.46 0.84 1 126 ASP 4.35 3.87 1 127 ALA 0.91 0.23 1 128 LEU -2.22 -1.20 1 129 LEU 2.24 1.88 1 130 ALA 1.60 0.70 1 131 ASP -1.95 -3.16 1 132 GLU 3.59 3.72 1 133 GLU 3.93 2.59 1 134 ARG 2.46 1.70 1 136 LEU 4.20 3.20 1 139 ILE 3.28 3.33 1 140 LEU 2.30 1.10 1 141 ALA 0.95 0.01 1 142 GLN -0.75 -2.33 1 143 GLN 0.01 -0.58 1 145 ASP 0.02 -0.52 1 146 ARG -0.12 -0.48 1 147 LEU -1.04 -1.22 1 148 ARG 4.00 -0.15 1 149 ASP 0.01 0.73 1 150 GLU 2.94 2.04 1 151 GLU 2.26 1.85 1 152 LEU 3.77 1.45 1 153 ALA 3.34 1.89 1 154 GLU 2.52 1.65 1 155 LEU 3.30 1.80 1 156 GLU 3.00 2.20 1 157 ASP 2.90 2.40 1 158 ALA 3.10 1.80 1 159 LEU 2.45 1.28 1 160 ARG 2.96 1.94 1 161 ASN 1.12 0.60 1 162 LEU 1.06 0.51 1 163 LYS 1.03 0.10 1 166 SER 0.24 -0.16 1 168 ALA -0.31 -0.47 1 169 ARG 0.66 0.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4636_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.92 _LACS_plot.Line_1_terminator_val_y_1 4.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 9.99 _LACS_plot.Line_2_terminator_val_y_2 -2.96 _LACS_plot.Y_axis_chem_shift_offset 0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 GLN -2.50 6.40 0 10 GLU -0.80 0.20 1 12 VAL -4.25 2.05 1 14 SER -3.80 2.00 1 15 ALA -5.90 4.00 1 16 TYR -4.00 2.40 1 17 LEU -5.00 2.50 1 18 PHE -1.20 -0.10 1 19 VAL -2.69 1.27 1 20 GLU -6.43 4.25 1 21 SER -2.01 -0.06 1 22 SER 0.42 -1.00 1 23 LEU -3.08 1.07 1 24 ASP 3.00 -1.30 1 25 LYS 0.80 -0.80 1 26 VAL -0.60 -0.20 1 27 VAL 7.90 -5.30 1 28 LEU 4.30 -1.10 1 29 SER 6.50 -3.30 1 30 ASP 3.68 -1.40 1 31 ALA 3.23 -1.36 1 32 TYR -0.02 1.50 1 33 ALA -0.67 -0.23 1 34 HIS -1.16 2.14 1 36 GLN 2.02 -0.32 1 37 GLN 2.54 -0.54 1 38 LYS 5.27 -1.02 1 39 VAL 4.87 -1.57 1 40 ALA 3.24 -1.19 1 41 VAL 6.24 -1.84 1 42 TYR 4.66 -0.06 1 43 ARG 3.87 -1.17 1 44 ALA 3.08 -1.11 1 45 LEU 3.76 -0.98 1 46 GLN 3.83 -0.47 1 47 ALA 3.25 -1.25 1 48 ALA 2.93 -1.02 1 49 LEU 4.88 -2.08 1 50 ALA 3.03 -1.78 1 51 GLU 1.83 -0.25 1 52 SER -0.52 0.49 1 55 SER 1.70 -1.40 1 57 ASP 2.60 -1.67 1 58 VAL -1.67 -0.02 1 59 LEU -1.49 0.59 1 60 GLN -3.89 2.01 1 61 MET -1.87 1.51 1 62 LEU -0.90 0.90 1 63 LYS -3.41 2.71 1 64 ILE -0.53 0.19 1 65 HIS -5.44 4.00 1 66 ARG -0.43 0.10 1 67 SER -0.91 -1.91 1 68 ASP 1.45 -0.50 1 70 GLN -1.45 1.25 1 71 LEU -3.84 1.68 1 72 ILE -0.93 0.02 1 73 VAL -2.52 0.41 1 74 GLN -0.63 -0.24 1 75 LEU -4.10 1.60 1 76 ARG -4.66 2.43 1 77 PHE -4.40 2.60 1 80 ARG 0.60 -1.30 1 81 GLN 10.00 -3.60 1 85 ARG 4.79 -1.32 1 86 PHE 4.84 -1.29 1 87 LEU 3.69 -1.37 1 88 ARG 5.16 -1.63 1 89 ALA 3.30 -1.38 1 90 TYR 4.13 -0.84 1 91 ARG 2.99 -0.21 1 92 GLU 0.37 -0.42 1 94 ALA 2.76 -0.86 1 95 LEU 4.00 -2.20 1 96 ARG 6.08 -1.78 1 97 ALA 3.83 -1.33 1 98 ALA 3.27 -1.07 1 99 LEU 1.50 0.10 1 101 ARG 3.70 -0.50 1 102 SER 5.40 -2.10 1 103 LEU 4.00 -1.64 1 104 ALA 5.70 -2.27 1 105 ALA 3.14 -1.51 1 106 ALA 1.19 0.40 1 107 LEU -0.20 -1.50 1 108 ALA 3.39 -3.28 1 109 GLN -5.60 2.30 1 110 HIS 2.90 0.40 1 111 SER -1.64 0.09 1 112 VAL -1.21 0.41 1 114 LEU -6.92 4.72 1 115 GLN -2.79 1.63 1 116 LEU -5.14 2.67 1 117 GLU -5.09 3.91 1 118 LEU -5.20 3.06 1 119 ARG -5.73 3.98 1 120 ALA -3.49 1.84 1 122 ALA -0.28 -0.36 1 123 GLU -2.48 1.11 1 124 ARG 1.19 -1.46 1 125 LEU 2.46 -1.62 1 126 ASP 4.35 -0.48 1 127 ALA 0.91 -0.68 1 128 LEU -2.22 1.02 1 129 LEU 2.24 -0.36 1 130 ALA 1.60 -0.90 1 131 ASP -1.95 -1.21 1 132 GLU 3.59 0.13 1 133 GLU 3.93 -1.34 1 134 ARG 2.46 -0.76 1 136 LEU 4.20 -1.00 1 139 ILE 3.28 0.05 1 140 LEU 2.30 -1.20 1 141 ALA 0.95 -0.94 1 142 GLN -0.75 -1.58 1 143 GLN 0.01 -0.59 1 145 ASP 0.02 -0.54 1 146 ARG -0.12 -0.36 1 147 LEU -1.04 -0.18 1 148 ARG 4.00 -4.15 1 149 ASP 0.01 0.72 1 150 GLU 2.94 -0.90 1 151 GLU 2.26 -0.41 1 152 LEU 3.77 -2.32 1 153 ALA 3.34 -1.45 1 154 GLU 2.52 -0.87 1 155 LEU 3.30 -1.50 1 156 GLU 3.00 -0.80 1 157 ASP 2.90 -0.50 1 158 ALA 3.10 -1.30 1 159 LEU 2.45 -1.17 1 160 ARG 2.96 -1.02 1 161 ASN 1.12 -0.52 1 162 LEU 1.06 -0.55 1 163 LYS 1.03 -0.93 1 166 SER 0.24 -0.40 1 168 ALA -0.31 -0.16 1 169 ARG 0.66 0.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4636_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.92 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 9.99 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 LEU -5.14 1.52 0 10 GLU -0.80 -0.05 1 12 VAL -4.25 1.10 1 14 SER -3.80 1.06 1 15 ALA -5.90 0.62 1 16 TYR -4.00 0.70 1 17 LEU -5.00 1.10 1 18 PHE -1.20 0.45 1 19 VAL -2.69 0.57 1 20 GLU -6.43 0.34 1 21 SER -2.01 0.66 1 22 SER 0.42 0.20 1 23 LEU -3.08 0.31 1 24 ASP 3.00 -0.40 1 25 LYS 0.80 -0.18 1 26 VAL -0.60 0.07 1 27 VAL 7.90 -0.18 1 28 LEU 4.30 -0.36 1 29 SER 6.50 -0.56 1 30 ASP 3.68 -0.08 1 31 ALA 3.23 -0.01 1 32 TYR -0.02 -0.50 1 33 ALA -0.67 -0.16 1 34 HIS -1.16 -0.30 1 36 GLN 2.02 0.19 1 37 GLN 2.54 -0.01 1 38 LYS 5.27 -0.55 1 39 VAL 4.87 -0.44 1 40 ALA 3.24 -0.14 1 41 VAL 6.24 -0.72 1 42 TYR 4.66 -0.60 1 43 ARG 3.87 -0.43 1 44 ALA 3.08 -0.15 1 45 LEU 3.76 -0.54 1 46 GLN 3.83 -0.58 1 47 ALA 3.25 -0.17 1 48 ALA 2.93 -0.18 1 49 LEU 4.88 -0.42 1 50 ALA 3.03 0.09 1 51 GLU 1.83 -0.23 1 52 SER -0.52 0.08 1 55 SER 1.70 -0.10 1 57 ASP 2.60 -0.20 1 58 VAL -1.67 0.64 1 59 LEU -1.49 0.65 1 60 GLN -3.89 0.38 1 61 MET -1.87 0.00 1 62 LEU -0.90 -0.03 1 63 LYS -3.41 0.10 1 64 ILE -0.53 0.49 1 65 HIS -5.44 0.17 1 66 ARG -0.43 -0.02 1 67 SER -0.91 0.10 1 68 ASP 1.45 -0.36 1 70 GLN -1.45 0.47 1 71 LEU -3.84 0.50 1 72 ILE -0.93 0.22 1 73 VAL -2.52 0.51 1 74 GLN -0.63 0.29 1 75 LEU -4.10 0.56 1 76 ARG -4.66 0.48 1 77 PHE -4.40 0.53 1 80 ARG 0.60 -0.08 1 81 GLN 10.00 -0.45 1 85 ARG 4.79 -0.27 1 86 PHE 4.84 -0.29 1 87 LEU 3.69 -0.59 1 88 ARG 5.16 -0.39 1 89 ALA 3.30 -0.08 1 90 TYR 4.13 -0.68 1 91 ARG 2.99 -0.37 1 92 GLU 0.37 -0.07 1 94 ALA 2.76 -0.09 1 95 LEU 4.00 -0.11 1 96 ARG 6.08 -0.71 1 97 ALA 3.83 -0.24 1 98 ALA 3.27 -0.15 1 99 LEU 1.50 -0.18 1 100 GLN -2.50 -0.38 1 101 ARG 3.70 -0.18 1 102 SER 5.40 -0.12 1 103 LEU 4.00 -0.29 1 104 ALA 5.70 -0.52 1 105 ALA 3.14 -0.12 1 106 ALA 1.19 -0.15 1 107 LEU -0.20 0.00 1 108 ALA 3.39 -0.27 1 109 GLN -5.60 0.22 1 110 HIS 2.90 -0.41 1 111 SER -1.64 -0.07 1 112 VAL -1.21 -0.09 1 114 LEU -6.92 1.08 1 115 GLN -2.79 0.28 1 117 GLU -5.09 0.61 1 118 LEU -5.20 1.28 1 119 ARG -5.73 1.09 1 120 ALA -3.49 0.59 1 122 ALA -0.28 -0.01 1 123 GLU -2.48 0.09 1 124 ARG 1.19 0.14 1 125 LEU 2.46 -0.03 1 126 ASP 4.35 -0.40 1 127 ALA 0.91 0.10 1 128 LEU -2.22 0.29 1 129 LEU 2.24 -0.32 1 130 ALA 1.60 -0.09 1 131 ASP -1.95 0.22 1 132 GLU 3.59 -0.55 1 133 GLU 3.93 -0.37 1 134 ARG 2.46 -0.19 1 136 LEU 4.20 -0.34 1 139 ILE 3.28 -0.20 1 140 LEU 2.30 -0.71 1 141 ALA 0.95 -0.14 1 142 GLN -0.75 0.02 1 143 GLN 0.01 -0.15 1 145 ASP 0.02 -0.12 1 146 ARG -0.12 -0.02 1 147 LEU -1.04 0.05 1 148 ARG 4.00 -0.02 1 149 ASP 0.01 -0.12 1 150 GLU 2.94 -0.25 1 151 GLU 2.26 -0.23 1 152 LEU 3.77 -0.33 1 153 ALA 3.34 -0.29 1 154 GLU 2.52 -0.27 1 155 LEU 3.30 -0.30 1 156 GLU 3.00 -0.35 1 157 ASP 2.90 -0.24 1 158 ALA 3.10 -0.14 1 159 LEU 2.45 -0.20 1 160 ARG 2.96 -0.19 1 161 ASN 1.12 -0.02 1 162 LEU 1.06 -0.04 1 163 LYS 1.03 0.00 1 166 SER 0.24 0.00 1 168 ALA -0.31 0.03 1 169 ARG 0.66 -0.15 1 stop_ save_