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 bmr18533_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.19 _LACS_plot.Line_1_terminator_val_y_1 -3.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 8.18 _LACS_plot.Line_2_terminator_val_y_2 5.78 _LACS_plot.Y_axis_chem_shift_offset -0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 HIS -3.95 2.39 0 10 PHE -4.62 -1.39 1 11 VAL -4.43 -1.78 1 13 THR 3.69 3.07 1 15 ASN -0.00 1.77 1 16 ILE -1.65 1.69 1 19 SER 4.75 6.31 1 21 MET 4.62 4.76 1 22 ALA 5.10 2.49 1 23 GLU 3.06 2.95 1 24 LYS 3.86 1.56 1 25 MET -0.02 2.58 1 26 PHE 2.47 2.33 1 27 ALA 4.25 3.56 1 28 GLN 4.86 3.91 1 29 GLN 4.77 3.48 1 30 LEU 3.48 2.98 1 31 ARG 5.17 3.79 1 32 HIS 1.37 3.08 1 33 ARG -0.35 -0.03 1 35 LEU -1.74 -0.95 1 37 ASP 0.12 0.19 1 38 ALA -1.30 0.45 1 39 VAL -4.45 -2.16 1 40 ARG -2.71 -1.29 1 41 VAL -2.68 -1.64 1 42 THR -5.59 -1.50 1 43 SER -2.28 -0.21 1 44 ALA -3.05 -1.32 1 46 THR 4.80 2.88 1 48 ASN -1.29 -1.34 1 49 TRP 4.44 3.36 1 50 HIS -3.18 -1.14 1 51 VAL 4.99 3.48 1 53 SER 0.18 1.01 1 55 ALA 2.61 0.14 1 56 ASP -4.11 0.85 1 57 GLU 3.44 3.04 1 58 ARG 5.78 2.15 1 59 ALA 2.89 2.28 1 60 ALA 3.55 2.52 1 62 VAL 5.06 4.05 1 63 LEU 4.75 3.85 1 64 ARG 3.97 3.45 1 65 ALA 3.06 2.04 1 66 HIS -0.82 0.50 1 68 TYR -0.26 1.30 1 70 THR -1.49 -0.55 1 71 ASP 1.80 1.67 1 73 ARG -2.98 -1.57 1 74 ALA -0.12 -0.32 1 75 ALA -6.05 -1.53 1 76 GLN -2.80 -2.15 1 77 VAL 1.79 1.38 1 79 THR 5.67 4.64 1 80 GLU 3.27 2.43 1 81 HIS 3.49 5.42 1 82 LEU 3.25 1.58 1 83 ALA -1.38 -1.30 1 84 ALA 2.63 0.85 1 85 ASP 1.64 3.44 1 86 LEU -2.83 -0.06 1 87 LEU 0.51 0.28 1 88 VAL -0.23 -2.29 1 89 ALA -3.40 -1.72 1 90 LEU 4.73 0.35 1 91 ASP -3.96 -1.25 1 92 ARG 3.45 2.83 1 93 ASN 4.31 3.03 1 94 HIS 2.13 4.51 1 95 ALA 4.13 3.00 1 96 ARG 4.17 3.50 1 97 LEU 3.86 2.80 1 98 LEU 3.51 3.00 1 99 ARG 4.52 2.36 1 100 GLN 4.06 2.98 1 101 LEU 0.52 0.36 1 103 VAL 2.81 1.40 1 104 GLU 1.27 0.32 1 105 ALA 4.10 3.14 1 106 ALA 1.58 1.54 1 107 ARG -0.96 0.51 1 108 VAL -2.26 -1.56 1 109 ARG -8.19 -4.11 1 110 MET 0.64 -1.58 1 111 LEU 5.82 4.50 1 112 ARG 6.32 3.92 1 113 SER 3.19 2.58 1 114 PHE 2.11 2.23 1 115 ASP -2.71 -1.10 1 117 ARG 1.39 0.45 1 118 SER 1.53 1.49 1 120 THR 2.15 1.49 1 121 HIS -0.98 1.01 1 122 ALA -0.49 -0.99 1 123 LEU -1.91 -0.61 1 124 ASP -0.45 1.12 1 125 VAL 2.23 0.11 1 126 GLU 0.51 0.41 1 127 ASP -2.10 -0.48 1 129 TYR 4.63 5.22 1 130 TYR 2.72 0.58 1 132 ASP -4.70 -2.20 1 133 HIS 5.09 6.57 1 134 SER 5.41 3.77 1 135 ASP 4.13 3.84 1 136 PHE 5.37 5.12 1 137 GLU 3.81 2.90 1 138 GLU 3.81 2.80 1 139 VAL 6.43 4.88 1 140 PHE 5.41 4.98 1 141 ALA 3.42 2.62 1 142 VAL 4.85 3.40 1 143 ILE 6.44 4.95 1 144 GLU 3.33 3.16 1 145 SER 2.70 2.51 1 146 ALA -0.88 0.90 1 147 LEU 8.19 5.95 1 150 LEU 3.45 2.25 1 151 HIS 5.87 7.38 1 152 ASP 4.68 3.61 1 153 TRP 4.92 5.11 1 154 VAL 5.78 4.78 1 155 ASP 4.61 3.37 1 156 GLU 3.17 2.56 1 157 ARG 2.78 0.99 1 158 LEU 2.29 1.58 1 159 ALA 1.49 0.78 1 160 ARG 1.15 0.78 1 161 ASN -0.12 0.15 1 164 SER 0.64 1.77 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18533_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.19 _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 -0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.18 _LACS_plot.Line_2_terminator_val_x_2 8.18 _LACS_plot.Line_2_terminator_val_y_2 -2.40 _LACS_plot.Y_axis_chem_shift_offset -0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 HIS -3.95 6.34 0 10 PHE -4.62 3.23 1 11 VAL -4.43 2.65 1 13 THR 3.69 -0.62 1 15 ASN -0.00 1.77 1 16 ILE -1.65 3.34 1 19 SER 4.75 1.56 1 21 MET 4.62 0.14 1 22 ALA 5.10 -2.61 1 23 GLU 3.06 -0.11 1 24 LYS 3.86 -2.30 1 25 MET -0.02 2.60 1 26 PHE 2.47 -0.14 1 27 ALA 4.25 -0.69 1 28 GLN 4.86 -0.95 1 29 GLN 4.77 -1.29 1 30 LEU 3.48 -0.50 1 31 ARG 5.17 -1.38 1 32 HIS 1.37 1.71 1 33 ARG -0.35 0.32 1 35 LEU -1.74 0.79 1 37 ASP 0.12 0.07 1 38 ALA -1.30 1.75 1 39 VAL -4.45 2.29 1 40 ARG -2.71 1.42 1 41 VAL -2.68 1.04 1 42 THR -5.59 4.09 1 43 SER -2.28 2.07 1 44 ALA -3.05 1.73 1 46 THR 4.80 -1.92 1 48 ASN -1.29 -0.05 1 49 TRP 4.44 -1.08 1 50 HIS -3.18 2.04 1 51 VAL 4.99 -1.51 1 53 SER 0.18 0.83 1 55 ALA 2.61 -2.47 1 56 ASP -4.11 4.96 1 57 GLU 3.44 -0.40 1 58 ARG 5.78 -3.63 1 59 ALA 2.89 -0.61 1 60 ALA 3.55 -1.03 1 62 VAL 5.06 -1.01 1 63 LEU 4.75 -0.90 1 64 ARG 3.97 -0.52 1 65 ALA 3.06 -1.02 1 66 HIS -0.82 1.32 1 68 TYR -0.26 1.56 1 70 THR -1.49 0.94 1 71 ASP 1.80 -0.13 1 73 ARG -2.98 1.41 1 74 ALA -0.12 -0.20 1 75 ALA -6.05 4.52 1 76 GLN -2.80 0.65 1 77 VAL 1.79 -0.41 1 79 THR 5.67 -1.03 1 80 GLU 3.27 -0.84 1 81 HIS 3.49 1.93 1 82 LEU 3.25 -1.67 1 83 ALA -1.38 0.08 1 84 ALA 2.63 -1.78 1 85 ASP 1.64 1.80 1 86 LEU -2.83 2.77 1 87 LEU 0.51 -0.23 1 88 VAL -0.23 -2.06 1 89 ALA -3.40 1.68 1 90 LEU 4.73 -4.38 1 91 ASP -3.96 2.71 1 92 ARG 3.45 -0.62 1 93 ASN 4.31 -1.28 1 94 HIS 2.13 2.38 1 95 ALA 4.13 -1.13 1 96 ARG 4.17 -0.67 1 97 LEU 3.86 -1.06 1 98 LEU 3.51 -0.51 1 99 ARG 4.52 -2.16 1 100 GLN 4.06 -1.08 1 101 LEU 0.52 -0.16 1 103 VAL 2.81 -1.41 1 104 GLU 1.27 -0.95 1 105 ALA 4.10 -0.96 1 106 ALA 1.58 -0.04 1 107 ARG -0.96 1.47 1 108 VAL -2.26 0.70 1 109 ARG -8.19 4.08 1 110 MET 0.64 -2.22 1 111 LEU 5.82 -1.32 1 112 ARG 6.32 -2.40 1 113 SER 3.19 -0.61 1 114 PHE 2.11 0.12 1 115 ASP -2.71 1.61 1 117 ARG 1.39 -0.94 1 118 SER 1.53 -0.04 1 120 THR 2.15 -0.66 1 121 HIS -0.98 1.99 1 122 ALA -0.49 -0.50 1 123 LEU -1.91 1.30 1 124 ASP -0.45 1.57 1 125 VAL 2.23 -2.12 1 126 GLU 0.51 -0.10 1 127 ASP -2.10 1.62 1 129 TYR 4.63 0.59 1 130 TYR 2.72 -2.14 1 132 ASP -4.70 2.50 1 133 HIS 5.09 1.48 1 134 SER 5.41 -1.64 1 135 ASP 4.13 -0.29 1 136 PHE 5.37 -0.25 1 137 GLU 3.81 -0.91 1 138 GLU 3.81 -1.01 1 139 VAL 6.43 -1.55 1 140 PHE 5.41 -0.43 1 141 ALA 3.42 -0.80 1 142 VAL 4.85 -1.45 1 143 ILE 6.44 -1.49 1 144 GLU 3.33 -0.17 1 145 SER 2.70 -0.19 1 146 ALA -0.88 1.78 1 147 LEU 8.19 -2.24 1 150 LEU 3.45 -1.20 1 151 HIS 5.87 1.51 1 152 ASP 4.68 -1.07 1 153 TRP 4.92 0.19 1 154 VAL 5.78 -1.00 1 155 ASP 4.61 -1.24 1 156 GLU 3.17 -0.61 1 157 ARG 2.78 -1.79 1 158 LEU 2.29 -0.71 1 159 ALA 1.49 -0.71 1 160 ARG 1.15 -0.37 1 161 ASN -0.12 0.27 1 164 SER 0.64 1.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18533_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.19 _LACS_plot.Line_1_terminator_val_y_1 0.61 _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 0.11 _LACS_plot.Line_2_terminator_val_x_2 8.18 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 VAL -2.68 1.57 0 10 PHE -4.62 0.59 1 11 VAL -4.43 1.24 1 13 THR 3.69 0.66 1 15 ASN -0.00 -0.81 1 16 ILE -1.65 0.51 1 19 SER 4.75 -0.97 1 21 MET 4.62 -0.75 1 22 ALA 5.10 -0.92 1 23 GLU 3.06 -0.67 1 24 LYS 3.86 -0.32 1 25 MET -0.02 -0.53 1 26 PHE 2.47 -0.28 1 27 ALA 4.25 -0.39 1 28 GLN 4.86 -0.29 1 29 GLN 4.77 -0.20 1 30 LEU 3.48 -0.41 1 31 ARG 5.17 -0.37 1 32 HIS 1.37 -0.18 1 33 ARG -0.35 0.25 1 35 LEU -1.74 0.34 1 37 ASP 0.12 0.13 1 38 ALA -1.30 -0.01 1 39 VAL -4.45 0.68 1 40 ARG -2.71 0.20 1 42 THR -5.59 0.54 1 43 SER -2.28 1.25 1 44 ALA -3.05 -0.06 1 46 THR 4.80 -0.27 1 48 ASN -1.29 -0.25 1 49 TRP 4.44 -0.76 1 50 HIS -3.18 0.15 1 51 VAL 4.99 -0.92 1 53 SER 0.18 0.14 1 55 ALA 2.61 -0.20 1 56 ASP -4.11 -0.30 1 57 GLU 3.44 -0.31 1 58 ARG 5.78 -0.53 1 59 ALA 2.89 -0.16 1 60 ALA 3.55 -0.46 1 62 VAL 5.06 -0.27 1 63 LEU 4.75 -0.36 1 64 ARG 3.97 -0.16 1 65 ALA 3.06 -0.29 1 66 HIS -0.82 -0.09 1 68 TYR -0.26 -0.04 1 70 THR -1.49 -0.05 1 71 ASP 1.80 -0.23 1 72 HIS -3.95 -0.03 1 73 ARG -2.98 -0.05 1 74 ALA -0.12 0.31 1 75 ALA -6.05 0.47 1 76 GLN -2.80 0.61 1 77 VAL 1.79 -0.82 1 79 THR 5.67 -0.65 1 80 GLU 3.27 -0.39 1 81 HIS 3.49 -0.79 1 82 LEU 3.25 -0.44 1 83 ALA -1.38 0.07 1 84 ALA 2.63 -0.56 1 85 ASP 1.64 -0.23 1 86 LEU -2.83 -0.16 1 87 LEU 0.51 0.35 1 88 VAL -0.23 0.51 1 89 ALA -3.40 0.20 1 90 LEU 4.73 -0.03 1 91 ASP -3.96 0.16 1 92 ARG 3.45 -0.32 1 93 ASN 4.31 -0.36 1 94 HIS 2.13 -0.54 1 95 ALA 4.13 -0.58 1 96 ARG 4.17 -0.43 1 97 LEU 3.86 -0.26 1 98 LEU 3.51 -0.43 1 99 ARG 4.52 0.14 1 100 GLN 4.06 -0.27 1 101 LEU 0.52 -0.08 1 103 VAL 2.81 -0.49 1 104 GLU 1.27 -0.18 1 105 ALA 4.10 -0.56 1 106 ALA 1.58 -0.19 1 107 ARG -0.96 0.12 1 108 VAL -2.26 0.95 1 109 ARG -8.19 0.28 1 110 MET 0.64 0.48 1 111 LEU 5.82 -0.38 1 112 ARG 6.32 -0.39 1 113 SER 3.19 -0.18 1 114 PHE 2.11 -0.27 1 115 ASP -2.71 0.09 1 117 ARG 1.39 -0.07 1 118 SER 1.53 -0.49 1 120 THR 2.15 -0.33 1 121 HIS -0.98 -0.16 1 122 ALA -0.49 0.02 1 123 LEU -1.91 -0.06 1 124 ASP -0.45 -0.07 1 125 VAL 2.23 0.14 1 126 GLU 0.51 -0.27 1 127 ASP -2.10 -0.82 1 129 TYR 4.63 -0.75 1 130 TYR 2.72 -0.06 1 132 ASP -4.70 0.43 1 133 HIS 5.09 -0.62 1 134 SER 5.41 -0.29 1 135 ASP 4.13 -0.11 1 136 PHE 5.37 -0.82 1 137 GLU 3.81 -0.17 1 138 GLU 3.81 -0.06 1 139 VAL 6.43 -0.64 1 140 PHE 5.41 -1.06 1 141 ALA 3.42 -0.33 1 142 VAL 4.85 -0.31 1 143 ILE 6.44 -0.78 1 144 GLU 3.33 -0.81 1 145 SER 2.70 -0.24 1 146 ALA -0.88 -0.20 1 147 LEU 8.19 -0.74 1 150 LEU 3.45 -0.71 1 151 HIS 5.87 -0.56 1 152 ASP 4.68 -0.22 1 153 TRP 4.92 -0.55 1 154 VAL 5.78 -0.77 1 155 ASP 4.61 -0.44 1 156 GLU 3.17 -0.42 1 157 ARG 2.78 -0.53 1 158 LEU 2.29 -0.24 1 159 ALA 1.49 -0.13 1 160 ARG 1.15 -0.13 1 161 ASN -0.12 0.00 1 164 SER 0.64 -0.24 1 stop_ save_