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 bmr4497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.82 _LACS_plot.Line_1_terminator_val_y_1 -3.34 _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 -1.60 _LACS_plot.Line_2_terminator_val_x_2 9.08 _LACS_plot.Line_2_terminator_val_y_2 6.18 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLU -3.62 2.75 0 47 TYR 9.08 0.78 0 10 LEU -0.88 -0.64 1 11 ASP -0.10 -0.20 1 12 VAL -8.23 -4.89 1 13 THR -0.41 -1.52 1 15 LEU -8.82 -2.80 1 16 SER 3.08 1.78 1 17 LEU -7.77 -2.65 1 19 ILE -7.39 -3.90 1 20 GLU -3.49 -1.32 1 21 THR -1.75 -1.49 1 22 ALA 1.07 0.86 1 25 VAL -1.07 -0.27 1 26 MET -1.03 -0.93 1 27 THR 1.82 0.67 1 28 VAL 2.87 2.43 1 29 LEU 0.05 1.06 1 30 ILE -3.32 -1.82 1 31 LYS 0.66 0.72 1 32 ARG 2.40 1.44 1 33 ASN 3.83 1.16 1 34 THR 2.54 1.88 1 35 THR 2.08 1.61 1 36 ILE -0.37 -0.84 1 38 THR 1.24 -0.08 1 39 LYS -3.62 -1.19 1 40 GLN -5.25 -1.25 1 41 THR -2.69 -0.68 1 42 GLN -5.52 -0.82 1 43 THR 1.87 1.22 1 44 PHE -4.71 -0.94 1 45 THR -3.89 -3.26 1 46 THR -0.83 -1.77 1 48 SER -3.92 -1.93 1 49 ASP 1.34 0.97 1 50 ASN 4.59 1.84 1 51 GLN 2.78 0.78 1 54 VAL -5.73 -3.13 1 55 LEU -2.54 -1.72 1 56 ILE 2.33 -2.34 1 57 GLN -4.04 -1.24 1 58 VAL 0.70 -0.28 1 59 TYR -8.11 -0.85 1 60 GLU -7.94 -3.89 1 62 GLU -8.68 -2.32 1 63 ARG 0.76 -3.03 1 64 ALA -0.21 1.70 1 65 MET -2.92 -3.90 1 66 THR 8.96 4.06 1 67 LYS 4.06 1.52 1 68 ASP -0.70 0.12 1 69 ASN -3.12 -1.69 1 70 ASN -2.32 -0.72 1 71 LEU 1.22 0.17 1 72 LEU -2.01 -0.63 1 74 LYS -5.64 -1.86 1 75 PHE -1.29 -1.26 1 76 GLU -6.31 -2.74 1 77 LEU -3.34 -1.08 1 78 THR -2.60 -1.91 1 80 ILE 1.37 0.52 1 83 ALA -1.56 -0.22 1 85 ARG 1.50 -0.58 1 87 VAL 8.77 5.79 1 89 GLN -2.59 -1.49 1 90 ILE -2.95 -2.90 1 91 GLU -2.23 -0.65 1 92 VAL -1.56 -1.09 1 93 THR -1.82 -0.55 1 94 PHE -3.52 -2.41 1 95 ASP -5.18 -1.23 1 96 ILE -2.84 -1.34 1 97 ASP -1.82 -1.63 1 98 ALA 2.39 1.55 1 99 ASN -1.00 -0.53 1 101 ILE 3.84 0.74 1 102 LEU -3.22 -2.11 1 103 ASN -3.89 -0.91 1 104 VAL -2.17 -1.90 1 105 SER -5.47 -2.68 1 106 ALA -6.22 -2.38 1 107 VAL -6.50 -3.12 1 108 ASP -1.83 -1.23 1 109 LYS 3.46 1.52 1 110 SER 3.49 2.55 1 111 THR -1.41 -0.08 1 113 LYS 2.12 1.32 1 114 GLU -7.82 -2.93 1 115 ASN -3.95 -1.88 1 116 LYS -3.89 -1.59 1 117 ILE -4.83 -1.16 1 118 THR -0.69 -0.14 1 119 ILE -1.86 -1.35 1 120 THR 0.73 -0.15 1 121 ASN -0.88 -0.94 1 122 ASP -0.19 -0.26 1 123 LYS 1.82 1.04 1 125 ARG 2.14 1.32 1 126 LEU -3.52 -1.65 1 127 SER -3.85 -1.94 1 128 LYS 4.64 3.56 1 129 GLU 4.72 3.30 1 130 ASP 3.23 3.18 1 131 ILE 5.04 4.22 1 133 ARG 6.96 3.36 1 134 MET -1.73 1.32 1 135 VAL 6.01 4.75 1 136 GLN 4.61 3.11 1 137 GLU 2.95 2.82 1 138 ALA 3.26 2.51 1 139 GLU 2.91 2.06 1 140 LYS 3.69 2.67 1 141 TYR 0.77 -0.30 1 142 LYS 4.70 4.22 1 143 ALA 4.00 2.51 1 144 GLU 3.36 2.54 1 145 ASP 3.88 2.72 1 146 GLU 3.60 2.69 1 147 LYS 3.65 2.61 1 148 GLN 3.45 2.50 1 149 ARG 4.21 3.15 1 150 ASP 1.99 1.42 1 151 LYS 1.45 0.91 1 152 VAL 0.66 0.20 1 153 SER 2.17 -1.25 1 155 LYS 0.34 0.10 1 156 ASN 1.14 0.01 1 157 SER -2.00 -0.43 1 158 LEU -4.59 -2.40 1 159 GLU -3.10 -0.91 1 160 HIS -3.69 0.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.82 _LACS_plot.Line_1_terminator_val_y_1 5.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 9.08 _LACS_plot.Line_2_terminator_val_y_2 -2.90 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLU -3.62 6.37 0 47 TYR 9.08 -8.30 0 10 LEU -0.88 0.24 1 11 ASP -0.10 -0.10 1 12 VAL -8.23 3.34 1 13 THR -0.41 -1.11 1 15 LEU -8.82 6.02 1 16 SER 3.08 -1.30 1 17 LEU -7.77 5.12 1 19 ILE -7.39 3.49 1 20 GLU -3.49 2.17 1 21 THR -1.75 0.26 1 22 ALA 1.07 -0.21 1 25 VAL -1.07 0.80 1 26 MET -1.03 0.10 1 27 THR 1.82 -1.15 1 28 VAL 2.87 -0.44 1 29 LEU 0.05 1.01 1 30 ILE -3.32 1.50 1 31 LYS 0.66 0.06 1 32 ARG 2.40 -0.96 1 33 ASN 3.83 -2.67 1 34 THR 2.54 -0.66 1 35 THR 2.08 -0.47 1 36 ILE -0.37 -0.47 1 38 THR 1.24 -1.32 1 39 LYS -3.62 2.43 1 40 GLN -5.25 4.00 1 41 THR -2.69 2.01 1 42 GLN -5.52 4.70 1 43 THR 1.87 -0.65 1 44 PHE -4.71 3.77 1 45 THR -3.89 0.63 1 46 THR -0.83 -0.94 1 48 SER -3.92 1.99 1 49 ASP 1.34 -0.37 1 50 ASN 4.59 -2.75 1 51 GLN 2.78 -2.00 1 54 VAL -5.73 2.60 1 55 LEU -2.54 0.82 1 56 ILE 2.33 -4.67 1 57 GLN -4.04 2.80 1 58 VAL 0.70 -0.98 1 59 TYR -8.11 7.26 1 60 GLU -7.94 4.05 1 62 GLU -8.68 6.36 1 63 ARG 0.76 -3.79 1 64 ALA -0.21 1.91 1 65 MET -2.92 -0.98 1 66 THR 8.96 -4.90 1 67 LYS 4.06 -2.54 1 68 ASP -0.70 0.82 1 69 ASN -3.12 1.43 1 70 ASN -2.32 1.60 1 71 LEU 1.22 -1.05 1 72 LEU -2.01 1.38 1 74 LYS -5.64 3.78 1 75 PHE -1.29 0.03 1 76 GLU -6.31 3.57 1 77 LEU -3.34 2.26 1 78 THR -2.60 0.69 1 80 ILE 1.37 -0.85 1 83 ALA -1.56 1.34 1 85 ARG 1.50 -2.08 1 87 VAL 8.77 -2.98 1 89 GLN -2.59 1.10 1 90 ILE -2.95 0.05 1 91 GLU -2.23 1.58 1 92 VAL -1.56 0.47 1 93 THR -1.82 1.27 1 94 PHE -3.52 1.11 1 95 ASP -5.18 3.95 1 96 ILE -2.84 1.50 1 97 ASP -1.82 0.19 1 98 ALA 2.39 -0.84 1 99 ASN -1.00 0.47 1 101 ILE 3.84 -3.10 1 102 LEU -3.22 1.11 1 103 ASN -3.89 2.98 1 104 VAL -2.17 0.27 1 105 SER -5.47 2.79 1 106 ALA -6.22 3.84 1 107 VAL -6.50 3.38 1 108 ASP -1.83 0.60 1 109 LYS 3.46 -1.94 1 110 SER 3.49 -0.94 1 111 THR -1.41 1.33 1 113 LYS 2.12 -0.80 1 114 GLU -7.82 4.89 1 115 ASN -3.95 2.07 1 116 LYS -3.89 2.30 1 117 ILE -4.83 3.67 1 118 THR -0.69 0.55 1 119 ILE -1.86 0.51 1 120 THR 0.73 -0.88 1 121 ASN -0.88 -0.06 1 122 ASP -0.19 -0.07 1 123 LYS 1.82 -0.78 1 125 ARG 2.14 -0.82 1 126 LEU -3.52 1.87 1 127 SER -3.85 1.91 1 128 LYS 4.64 -1.08 1 129 GLU 4.72 -1.42 1 130 ASP 3.23 -0.05 1 131 ILE 5.04 -0.82 1 133 ARG 6.96 -3.60 1 134 MET -1.73 3.05 1 135 VAL 6.01 -1.26 1 136 GLN 4.61 -1.50 1 137 GLU 2.95 -0.13 1 138 ALA 3.26 -0.75 1 139 GLU 2.91 -0.85 1 140 LYS 3.69 -1.02 1 141 TYR 0.77 -1.07 1 142 LYS 4.70 -0.48 1 143 ALA 4.00 -1.49 1 144 GLU 3.36 -0.82 1 145 ASP 3.88 -1.16 1 146 GLU 3.60 -0.91 1 147 LYS 3.65 -1.04 1 148 GLN 3.45 -0.95 1 149 ARG 4.21 -1.06 1 150 ASP 1.99 -0.57 1 151 LYS 1.45 -0.54 1 152 VAL 0.66 -0.46 1 153 SER 2.17 -3.42 1 155 LYS 0.34 -0.24 1 156 ASN 1.14 -1.13 1 157 SER -2.00 1.57 1 158 LEU -4.59 2.19 1 159 GLU -3.10 2.19 1 160 HIS -3.69 3.95 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.82 _LACS_plot.Line_1_terminator_val_y_1 1.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 9.08 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 TYR 9.08 0.08 0 19 ILE -7.39 2.13 0 10 LEU -0.88 0.17 1 11 ASP -0.10 0.13 1 12 VAL -8.23 1.23 1 13 THR -0.41 -0.05 1 15 LEU -8.82 0.43 1 16 SER 3.08 0.08 1 17 LEU -7.77 1.25 1 20 GLU -3.49 0.57 1 21 THR -1.75 0.57 1 22 ALA 1.07 -0.24 1 25 VAL -1.07 0.08 1 26 MET -1.03 -0.52 1 27 THR 1.82 0.30 1 28 VAL 2.87 -0.59 1 29 LEU 0.05 0.27 1 30 ILE -3.32 0.36 1 31 LYS 0.66 -0.25 1 32 ARG 2.40 -0.80 1 33 ASN 3.83 -0.42 1 34 THR 2.54 0.00 1 35 THR 2.08 0.29 1 36 ILE -0.37 -0.14 1 38 THR 1.24 0.37 1 39 LYS -3.62 1.36 1 40 GLN -5.25 0.59 1 41 THR -2.69 1.45 1 42 GLN -5.52 0.36 1 43 THR 1.87 0.63 1 44 PHE -4.71 0.44 1 45 THR -3.89 0.71 1 46 THR -0.83 0.27 1 48 SER -3.92 0.30 1 49 ASP 1.34 -0.12 1 50 ASN 4.59 -0.41 1 51 GLN 2.78 -0.18 1 54 VAL -5.73 0.39 1 55 LEU -2.54 0.38 1 56 ILE 2.33 -0.22 1 57 GLN -4.04 0.47 1 58 VAL 0.70 0.59 1 59 TYR -8.11 0.78 1 60 GLU -7.94 1.49 1 62 GLU -8.68 0.28 1 63 ARG 0.76 0.19 1 64 ALA -0.21 -0.13 1 65 MET -2.92 0.78 1 66 THR 8.96 -1.40 1 67 LYS 4.06 -0.10 1 68 ASP -0.70 0.29 1 69 ASN -3.12 0.60 1 70 ASN -2.32 0.58 1 71 LEU 1.22 -0.86 1 72 LEU -2.01 0.20 1 74 LYS -5.64 1.46 1 75 PHE -1.29 0.27 1 76 GLU -6.31 0.88 1 77 LEU -3.34 0.72 1 78 THR -2.60 0.74 1 80 ILE 1.37 -0.26 1 83 ALA -1.56 0.21 1 85 ARG 1.50 -0.38 1 87 VAL 8.77 -0.21 1 89 GLN -2.59 0.57 1 90 ILE -2.95 0.91 1 91 GLU -2.23 0.59 1 92 VAL -1.56 1.31 1 93 THR -1.82 1.19 1 94 PHE -3.52 0.59 1 95 ASP -5.18 0.71 1 96 ILE -2.84 1.19 1 97 ASP -1.82 0.18 1 98 ALA 2.39 -0.46 1 99 ASN -1.00 0.14 1 101 ILE 3.84 -0.35 1 102 LEU -3.22 0.79 1 103 ASN -3.89 0.74 1 104 VAL -2.17 1.07 1 105 SER -5.47 0.95 1 106 ALA -6.22 1.49 1 107 VAL -6.50 1.10 1 108 ASP -1.83 0.33 1 109 LYS 3.46 -0.19 1 110 SER 3.49 0.06 1 111 THR -1.41 0.20 1 113 LYS 2.12 -0.09 1 114 GLU -7.82 1.56 1 115 ASN -3.95 0.38 1 116 LYS -3.89 0.54 1 117 ILE -4.83 0.32 1 118 THR -0.69 0.56 1 119 ILE -1.86 0.20 1 120 THR 0.73 -0.01 1 121 ASN -0.88 0.14 1 122 ASP -0.19 0.00 1 123 LYS 1.82 -0.03 1 125 ARG 2.14 -0.10 1 126 LEU -3.52 0.44 1 127 SER -3.85 0.27 1 128 LYS 4.64 -0.27 1 129 GLU 4.72 -0.22 1 130 ASP 3.23 -0.11 1 131 ILE 5.04 -0.45 1 132 GLU -3.62 -0.32 1 133 ARG 6.96 -0.17 1 134 MET -1.73 -0.28 1 135 VAL 6.01 -0.55 1 136 GLN 4.61 -0.15 1 137 GLU 2.95 -0.24 1 138 ALA 3.26 -0.24 1 139 GLU 2.91 -0.17 1 140 LYS 3.69 -0.32 1 141 TYR 0.77 0.43 1 142 LYS 4.70 -0.03 1 143 ALA 4.00 -0.02 1 144 GLU 3.36 -0.19 1 145 ASP 3.88 -0.19 1 146 GLU 3.60 -0.32 1 147 LYS 3.65 -0.13 1 148 GLN 3.45 -0.17 1 149 ARG 4.21 -0.32 1 150 ASP 1.99 -0.05 1 151 LYS 1.45 -0.04 1 152 VAL 0.66 0.09 1 153 SER 2.17 -0.23 1 155 LYS 0.34 0.19 1 156 ASN 1.14 0.17 1 157 SER -2.00 0.50 1 158 LEU -4.59 0.70 1 159 GLU -3.10 0.36 1 160 HIS -3.69 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.82 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 9.08 _LACS_plot.Line_2_terminator_val_y_2 2.06 _LACS_plot.Y_axis_chem_shift_offset 0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 THR -1.75 3.96 0 38 THR 1.24 -5.04 0 47 TYR 9.08 -1.60 0 10 LEU -0.88 -1.21 1 11 ASP -0.10 -1.35 1 12 VAL -8.23 0.37 1 15 LEU -8.82 -0.56 1 16 SER 3.08 -3.03 1 17 LEU -7.77 -0.42 1 19 ILE -7.39 -2.25 1 20 GLU -3.49 0.90 1 22 ALA 1.07 -0.51 1 25 VAL -1.07 -1.98 1 26 MET -1.03 -2.47 1 27 THR 1.82 -1.14 1 28 VAL 2.87 -0.78 1 29 LEU 0.05 -1.50 1 30 ILE -3.32 -0.74 1 31 LYS 0.66 -0.03 1 32 ARG 2.40 -2.33 1 33 ASN 3.83 -0.94 1 34 THR 2.54 -0.57 1 35 THR 2.08 -1.76 1 39 LYS -3.62 -1.41 1 40 GLN -5.25 -2.33 1 41 THR -2.69 -0.87 1 42 GLN -5.52 -2.56 1 43 THR 1.87 -1.57 1 44 PHE -4.71 -2.99 1 45 THR -3.89 -0.53 1 46 THR -0.83 -0.26 1 48 SER -3.92 -1.53 1 49 ASP 1.34 0.12 1 50 ASN 4.59 -1.47 1 54 VAL -5.73 -3.60 1 55 LEU -2.54 -2.95 1 56 ILE 2.33 -3.13 1 57 GLN -4.04 -2.31 1 58 VAL 0.70 -2.37 1 59 TYR -8.11 -1.98 1 60 GLU -7.94 -1.22 1 62 GLU -8.68 0.75 1 63 ARG 0.76 1.40 1 64 ALA -0.21 -1.67 1 65 MET -2.92 1.41 1 66 THR 8.96 1.83 1 67 LYS 4.06 -0.56 1 68 ASP -0.70 -1.84 1 69 ASN -3.12 -2.59 1 70 ASN -2.32 -1.41 1 71 LEU 1.22 -1.40 1 72 LEU -2.01 -0.18 1 74 LYS -5.64 -2.83 1 75 PHE -1.29 -2.40 1 76 GLU -6.31 -1.52 1 77 LEU -3.34 -2.45 1 78 THR -2.60 -1.27 1 85 ARG 1.50 -0.32 1 89 GLN -2.59 -3.13 1 90 ILE -2.95 -0.77 1 91 GLU -2.23 -0.10 1 92 VAL -1.56 -2.27 1 93 THR -1.82 -1.08 1 94 PHE -3.52 -3.21 1 95 ASP -5.18 -1.94 1 96 ILE -2.84 -0.33 1 97 ASP -1.82 0.62 1 98 ALA 2.39 -0.27 1 99 ASN -1.00 0.13 1 101 ILE 3.84 -1.76 1 102 LEU -3.22 -4.34 1 103 ASN -3.89 -0.69 1 104 VAL -2.17 -2.90 1 105 SER -5.47 -2.00 1 106 ALA -6.22 -3.27 1 107 VAL -6.50 -1.50 1 108 ASP -1.83 0.89 1 109 LYS 3.46 1.48 1 110 SER 3.49 1.09 1 111 THR -1.41 1.77 1 113 LYS 2.12 -2.43 1 114 GLU -7.82 -0.68 1 115 ASN -3.95 -3.54 1 116 LYS -3.89 -2.88 1 117 ILE -4.83 -3.91 1 118 THR -0.69 -1.18 1 119 ILE -1.86 -1.54 1 120 THR 0.73 -1.49 1 121 ASN -0.88 -0.93 1 122 ASP -0.19 0.36 1 123 LYS 1.82 0.58 1 125 ARG 2.14 -0.45 1 126 LEU -3.52 -1.39 1 127 SER -3.85 0.20 1 128 LYS 4.64 1.93 1 129 GLU 4.72 2.39 1 130 ASP 3.23 1.90 1 131 ILE 5.04 0.97 1 132 GLU -3.62 2.40 1 133 ARG 6.96 -2.25 1 134 MET -1.73 3.23 1 135 VAL 6.01 2.27 1 136 GLN 4.61 3.60 1 137 GLU 2.95 1.22 1 138 ALA 3.26 2.06 1 139 GLU 2.91 2.37 1 140 LYS 3.69 1.73 1 141 TYR 0.77 -0.92 1 142 LYS 4.70 1.30 1 143 ALA 4.00 3.01 1 144 GLU 3.36 2.74 1 145 ASP 3.88 1.98 1 146 GLU 3.60 1.81 1 147 LYS 3.65 2.63 1 148 GLN 3.45 2.31 1 149 ARG 4.21 1.90 1 150 ASP 1.99 0.65 1 151 LYS 1.45 0.10 1 152 VAL 0.66 -1.29 1 153 SER 2.17 1.67 1 155 LYS 0.34 -0.17 1 156 ASN 1.14 -1.29 1 157 SER -2.00 -2.04 1 158 LEU -4.59 -0.42 1 159 GLU -3.10 -2.29 1 160 HIS -3.69 -0.26 1 stop_ save_