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 bmr4554_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.94 _LACS_plot.Line_1_terminator_val_y_1 -3.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 6.22 _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 46 THR 8.00 6.97 0 92 MET -0.68 -3.47 0 42 MET -9.94 -3.20 0 10 VAL 4.15 2.88 1 11 ASP 4.21 1.84 1 12 ARG 4.62 1.35 1 13 VAL 3.67 3.82 1 14 ILE -2.62 -0.33 1 16 MET -1.98 -0.06 1 17 GLU 3.86 1.01 1 18 ASN 1.34 1.19 1 19 ALA -5.20 -2.13 1 20 MET -0.09 -0.38 1 22 TRP 0.37 -0.22 1 23 ASN -1.07 0.22 1 24 LEU -3.49 -1.43 1 26 ALA 2.36 2.56 1 27 ASP 0.57 2.88 1 28 LEU 5.18 3.11 1 29 ALA 3.64 2.59 1 30 TRP 2.08 2.48 1 31 PHE 6.34 5.61 1 32 LYS 4.84 4.26 1 33 ARG 3.83 2.69 1 34 ASN 1.05 1.41 1 35 THR -0.71 0.03 1 36 LEU 2.53 1.96 1 37 ASN 2.97 1.59 1 38 LYS -1.95 -0.04 1 40 VAL -6.94 -5.61 1 41 ILE -3.50 -1.62 1 44 ARG 5.85 5.02 1 45 HIS 4.87 2.92 1 47 TRP 1.47 2.15 1 48 GLU 3.60 2.28 1 49 SER 2.42 2.19 1 50 ILE 3.31 3.52 1 52 ARG 0.02 -0.36 1 54 LEU -0.32 -1.87 1 57 ARG -6.19 -2.05 1 58 LYS 1.35 0.45 1 59 ASN -2.40 -0.15 1 60 ILE -1.60 -1.35 1 61 ILE -1.67 -3.43 1 62 LEU -1.83 -1.33 1 63 SER -0.86 0.35 1 64 SER 1.57 2.18 1 65 GLN -1.29 -0.58 1 68 THR -0.86 -1.49 1 69 ASP 0.35 1.08 1 70 ASP 1.89 1.07 1 71 ARG 0.22 1.31 1 72 VAL -4.64 -4.04 1 73 THR 0.46 0.91 1 74 TRP -0.73 -1.47 1 75 VAL -6.26 -3.25 1 76 LYS -1.65 -0.65 1 77 SER -4.01 -1.10 1 78 VAL 6.35 4.89 1 79 ASP 4.78 3.39 1 80 GLU 1.77 2.60 1 81 ALA 4.13 2.99 1 82 ILE 4.66 4.57 1 83 ALA 3.61 2.48 1 84 ALA 2.31 1.28 1 87 ASP 0.60 -0.99 1 88 VAL -1.61 -1.89 1 90 GLU -3.72 -0.78 1 91 ILE -2.42 0.17 1 93 VAL 1.35 -0.11 1 94 ILE 1.03 -0.10 1 98 ARG 3.60 2.36 1 99 VAL 7.71 6.34 1 100 TYR 3.11 2.26 1 101 GLU 3.55 3.33 1 102 GLN -1.12 2.19 1 103 PHE 0.85 2.78 1 104 LEU -2.12 -0.63 1 106 LYS -1.84 -0.01 1 107 ALA -2.24 -0.12 1 108 GLN -3.98 -0.18 1 109 LYS -4.19 -2.13 1 110 LEU -1.24 -1.60 1 111 TYR -5.10 -2.38 1 112 LEU -0.66 -1.64 1 113 THR -1.81 0.09 1 114 HIS -0.78 -0.36 1 115 ILE 1.91 -0.69 1 116 ASP -2.65 -1.45 1 117 ALA -0.60 -1.32 1 118 GLU -5.89 -3.47 1 119 VAL -0.54 -0.19 1 120 GLU -3.25 -2.01 1 122 ASP -2.19 1.00 1 123 THR -3.06 1.55 1 124 HIS -1.21 1.48 1 125 PHE 0.59 0.09 1 127 ASP -2.93 -2.53 1 128 TYR -1.60 -1.08 1 129 GLU 3.50 2.36 1 131 ASP 0.59 0.81 1 132 ASP -5.97 -1.45 1 133 TRP -4.90 -2.30 1 134 GLU 1.84 0.35 1 135 SER -0.82 -1.25 1 136 VAL -2.57 0.71 1 137 PHE -1.64 -1.20 1 138 SER -5.51 -0.54 1 139 GLU 0.23 0.99 1 140 PHE -3.51 -0.72 1 141 HIS -2.25 -0.90 1 142 ASP 0.50 0.52 1 143 ALA -1.95 -1.19 1 144 ASP 3.42 2.51 1 145 ALA -0.66 0.87 1 146 GLN -2.91 -0.72 1 147 ASN 2.94 2.45 1 148 SER -6.08 -1.27 1 149 HIS -0.43 0.12 1 150 SER -3.51 -3.10 1 151 TYR -2.63 -2.12 1 153 PHE -7.26 -2.08 1 154 GLU -2.40 -0.94 1 155 ILE -5.07 -1.81 1 156 LEU -5.79 -2.12 1 157 GLU 1.57 1.38 1 158 ARG 2.67 2.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4554_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.94 _LACS_plot.Line_1_terminator_val_y_1 6.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 -1.78 _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 46 THR 8.00 -1.03 0 92 MET -0.68 -2.79 0 42 MET -9.94 6.74 0 10 VAL 4.15 -1.27 1 11 ASP 4.21 -2.37 1 12 ARG 4.62 -3.27 1 13 VAL 3.67 0.15 1 14 ILE -2.62 2.29 1 16 MET -1.98 1.92 1 17 GLU 3.86 -2.85 1 18 ASN 1.34 -0.15 1 19 ALA -5.20 3.07 1 20 MET -0.09 -0.29 1 22 TRP 0.37 -0.59 1 23 ASN -1.07 1.29 1 24 LEU -3.49 2.06 1 26 ALA 2.36 0.20 1 27 ASP 0.57 2.31 1 28 LEU 5.18 -2.07 1 29 ALA 3.64 -1.05 1 30 TRP 2.08 0.40 1 31 PHE 6.34 -0.73 1 32 LYS 4.84 -0.58 1 33 ARG 3.83 -1.14 1 34 ASN 1.05 0.36 1 35 THR -0.71 0.74 1 36 LEU 2.53 -0.57 1 37 ASN 2.97 -1.38 1 38 LYS -1.95 1.91 1 40 VAL -6.94 1.33 1 41 ILE -3.50 1.88 1 44 ARG 5.85 -0.83 1 45 HIS 4.87 -1.95 1 47 TRP 1.47 0.68 1 48 GLU 3.60 -1.32 1 49 SER 2.42 -0.23 1 50 ILE 3.31 0.21 1 52 ARG 0.02 -0.38 1 54 LEU -0.32 -1.55 1 57 ARG -6.19 4.14 1 58 LYS 1.35 -0.90 1 59 ASN -2.40 2.25 1 60 ILE -1.60 0.25 1 61 ILE -1.67 -1.76 1 62 LEU -1.83 0.50 1 63 SER -0.86 1.21 1 64 SER 1.57 0.61 1 65 GLN -1.29 0.71 1 68 THR -0.86 -0.63 1 69 ASP 0.35 0.73 1 70 ASP 1.89 -0.82 1 71 ARG 0.22 1.09 1 72 VAL -4.64 0.60 1 73 THR 0.46 0.45 1 74 TRP -0.73 -0.74 1 75 VAL -6.26 3.01 1 76 LYS -1.65 1.00 1 77 SER -4.01 2.91 1 78 VAL 6.35 -1.46 1 79 ASP 4.78 -1.39 1 80 GLU 1.77 0.83 1 81 ALA 4.13 -1.14 1 82 ILE 4.66 -0.09 1 83 ALA 3.61 -1.13 1 84 ALA 2.31 -1.03 1 87 ASP 0.60 -1.59 1 88 VAL -1.61 -0.28 1 90 GLU -3.72 2.94 1 91 ILE -2.42 2.59 1 93 VAL 1.35 -1.46 1 94 ILE 1.03 -1.13 1 98 ARG 3.60 -1.24 1 99 VAL 7.71 -1.37 1 100 TYR 3.11 -0.85 1 101 GLU 3.55 -0.22 1 102 GLN -1.12 3.31 1 103 PHE 0.85 1.93 1 104 LEU -2.12 1.49 1 106 LYS -1.84 1.83 1 107 ALA -2.24 2.12 1 108 GLN -3.98 3.80 1 109 LYS -4.19 2.06 1 110 LEU -1.24 -0.36 1 111 TYR -5.10 2.72 1 112 LEU -0.66 -0.98 1 113 THR -1.81 1.90 1 114 HIS -0.78 0.42 1 115 ILE 1.91 -2.60 1 116 ASP -2.65 1.20 1 117 ALA -0.60 -0.72 1 118 GLU -5.89 2.42 1 119 VAL -0.54 0.35 1 120 GLU -3.25 1.24 1 122 ASP -2.19 3.19 1 123 THR -3.06 4.61 1 124 HIS -1.21 2.69 1 125 PHE 0.59 -0.50 1 127 ASP -2.93 0.40 1 128 TYR -1.60 0.52 1 129 GLU 3.50 -1.14 1 131 ASP 0.59 0.22 1 132 ASP -5.97 4.52 1 133 TRP -4.90 2.60 1 134 GLU 1.84 -1.49 1 135 SER -0.82 -0.43 1 136 VAL -2.57 3.28 1 137 PHE -1.64 0.44 1 138 SER -5.51 4.97 1 139 GLU 0.23 0.76 1 140 PHE -3.51 2.79 1 141 HIS -2.25 1.35 1 142 ASP 0.50 0.02 1 143 ALA -1.95 0.76 1 144 ASP 3.42 -0.91 1 145 ALA -0.66 1.53 1 146 GLN -2.91 2.19 1 147 ASN 2.94 -0.49 1 148 SER -6.08 4.81 1 149 HIS -0.43 0.55 1 150 SER -3.51 0.41 1 151 TYR -2.63 0.51 1 153 PHE -7.26 5.18 1 154 GLU -2.40 1.46 1 155 ILE -5.07 3.26 1 156 LEU -5.79 3.67 1 157 GLU 1.57 -0.19 1 158 ARG 2.67 0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4554_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.94 _LACS_plot.Line_1_terminator_val_y_1 -3.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 2.77 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ARG 3.60 4.64 0 36 LEU 2.53 -3.60 0 42 MET -9.94 -1.74 0 10 VAL 4.15 1.67 1 11 ASP 4.21 -1.40 1 12 ARG 4.62 -0.56 1 14 ILE -2.62 -0.82 1 17 GLU 3.86 -1.02 1 18 ASN 1.34 0.38 1 19 ALA -5.20 -1.43 1 22 TRP 0.37 -2.45 1 23 ASN -1.07 -2.11 1 26 ALA 2.36 3.58 1 27 ASP 0.57 1.30 1 28 LEU 5.18 2.72 1 29 ALA 3.64 0.99 1 30 TRP 2.08 1.64 1 31 PHE 6.34 3.73 1 32 LYS 4.84 1.42 1 33 ARG 3.83 2.14 1 35 THR -0.71 -0.21 1 37 ASN 2.97 -1.82 1 40 VAL -6.94 -2.58 1 41 ILE -3.50 -1.57 1 44 ARG 5.85 2.25 1 45 HIS 4.87 4.08 1 46 THR 8.00 1.71 1 47 TRP 1.47 1.03 1 48 GLU 3.60 2.00 1 49 SER 2.42 1.30 1 50 ILE 3.31 2.85 1 57 ARG -6.19 -1.51 1 58 LYS 1.35 -1.53 1 59 ASN -2.40 -2.55 1 60 ILE -1.60 -3.84 1 61 ILE -1.67 -0.52 1 62 LEU -1.83 -1.86 1 63 SER -0.86 -0.25 1 64 SER 1.57 0.51 1 68 THR -0.86 -0.35 1 69 ASP 0.35 0.09 1 70 ASP 1.89 0.90 1 71 ARG 0.22 -0.19 1 72 VAL -4.64 -3.23 1 73 THR 0.46 -2.68 1 74 TRP -0.73 0.73 1 75 VAL -6.26 -1.44 1 76 LYS -1.65 -0.98 1 77 SER -4.01 -0.53 1 78 VAL 6.35 1.07 1 79 ASP 4.78 3.78 1 80 GLU 1.77 2.67 1 81 ALA 4.13 0.17 1 82 ILE 4.66 4.06 1 83 ALA 3.61 2.73 1 84 ALA 2.31 -0.64 1 87 ASP 0.60 -0.89 1 90 GLU -3.72 -3.23 1 91 ILE -2.42 -2.56 1 92 MET -0.68 -2.21 1 93 VAL 1.35 0.93 1 94 ILE 1.03 -2.82 1 99 VAL 7.71 2.60 1 100 TYR 3.11 2.47 1 101 GLU 3.55 2.02 1 102 GLN -1.12 1.46 1 103 PHE 0.85 1.38 1 106 LYS -2.12 -0.54 1 108 GLN -2.24 -0.52 1 109 LYS -3.98 -2.46 1 110 LEU -4.19 -2.84 1 111 TYR -1.24 -1.69 1 112 LEU -5.10 -1.93 1 113 THR -0.66 -1.28 1 114 HIS -1.81 1.73 1 115 ILE -0.78 0.43 1 116 ASP 1.91 -2.37 1 117 ALA -2.65 -3.22 1 118 GLU -0.60 -1.28 1 119 VAL -5.89 -1.51 1 120 GLU -0.54 -0.60 1 122 ASP -3.25 0.02 1 123 THR -2.19 -1.84 1 124 HIS -3.06 -0.06 1 127 ASP 0.59 -2.84 1 128 TYR -2.93 -2.30 1 131 ASP 3.50 -0.19 1 132 ASP 0.59 -1.14 1 133 TRP -5.97 -2.15 1 134 GLU -4.90 -0.79 1 135 SER 1.84 1.67 1 136 VAL -0.82 -0.40 1 137 PHE -2.57 -2.09 1 138 SER -1.64 -1.35 1 139 GLU -5.51 -2.67 1 140 PHE 0.23 -1.24 1 141 HIS -3.51 -1.80 1 142 ASP -2.25 -0.51 1 143 ALA 0.50 -0.60 1 144 ASP -1.95 0.95 1 145 ALA 3.42 1.03 1 146 GLN -0.66 -0.89 1 147 ASN -2.91 -1.58 1 148 SER 2.94 -2.07 1 149 HIS -6.08 -0.24 1 150 SER -0.43 -1.44 1 151 TYR -3.51 -3.67 1 153 PHE -2.63 -0.73 1 154 GLU -7.26 -2.00 1 155 ILE -2.40 -1.24 1 156 LEU -5.07 -1.70 1 157 GLU -5.79 -0.35 1 158 ARG 1.57 0.16 1 stop_ save_