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 bmr4821_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.12 _LACS_plot.Line_1_terminator_val_y_1 -4.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.95 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 3.19 _LACS_plot.Y_axis_chem_shift_offset 1.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 HIS 2.09 3.28 0 80 MET 4.05 -2.36 0 12 SER 0.46 -1.12 1 14 LEU 3.96 2.87 1 17 ARG 0.64 -1.17 1 20 HIS 1.12 2.55 1 22 SER 0.38 -1.20 1 23 ASP 1.68 -0.18 1 24 MET 1.70 -0.41 1 25 THR 1.26 -0.23 1 26 ARG 3.65 1.27 1 27 ASP 2.17 0.39 1 29 LEU 3.13 1.11 1 30 ALA 3.63 1.27 1 31 ASN 3.99 1.57 1 32 LYS 4.04 1.65 1 33 ALA 3.71 1.19 1 34 LEU 3.21 1.19 1 35 ALA 4.61 1.44 1 36 VAL 5.37 2.21 1 37 ALA 4.57 1.40 1 38 ARG 3.49 2.00 1 39 THR 5.56 3.26 1 40 LEU 3.08 1.19 1 41 ALA 2.25 0.54 1 42 ASP -1.73 -2.54 1 43 SER -0.90 -2.50 1 45 GLU 4.07 1.88 1 46 ILE 4.41 -0.59 1 47 ARG 5.35 3.05 1 48 GLN 3.42 0.75 1 50 LEU 1.43 -0.27 1 51 GLN 0.78 -1.52 1 52 LYS -3.86 -3.73 1 53 LYS 2.60 -1.03 1 55 GLN 4.96 1.48 1 56 GLU -2.50 -2.99 1 57 SER 0.71 1.00 1 59 ILE 6.61 2.99 1 60 GLN 6.10 1.97 1 61 ALA 3.47 1.03 1 62 ILE 2.88 1.61 1 63 ALA 4.20 1.76 1 64 GLU 0.99 -0.07 1 65 ALA 3.95 1.27 1 66 VAL 5.54 2.46 1 67 ARG 5.68 2.89 1 68 LYS 3.78 1.55 1 69 ARG 3.00 0.86 1 70 ASN -1.94 -1.11 1 71 ASP 2.49 -0.67 1 72 LEU -2.63 -3.27 1 73 LEU 1.75 0.62 1 74 PHE -1.95 -2.83 1 75 ILE 1.41 0.47 1 76 VAL -3.96 -2.74 1 77 VAL -1.93 -3.64 1 78 THR -3.61 -3.80 1 79 ASP -2.14 -3.19 1 81 GLN 0.25 -2.01 1 82 SER 2.73 0.26 1 83 LEU 1.59 -1.33 1 84 ARG 1.37 0.04 1 85 TYR 1.28 -0.47 1 86 SER -2.86 -1.52 1 89 GLU -0.30 -3.31 1 90 ALA 3.38 0.50 1 91 GLN 4.47 0.18 1 92 ARG 3.07 -1.58 1 93 ILE 4.50 1.36 1 95 GLN -0.62 -2.89 1 97 PHE -8.12 -7.34 1 98 LYS -1.50 -2.59 1 100 ASP 2.24 -0.76 1 101 ASP 4.27 -1.73 1 102 ILE 1.57 -0.83 1 103 LEU 5.76 1.93 1 104 LYS 3.05 1.47 1 105 ALA 0.06 -1.16 1 106 LEU 2.81 0.05 1 107 ASN -1.45 -2.25 1 109 GLU -4.91 -3.55 1 110 GLU -2.23 -1.94 1 111 ASN -4.62 -2.98 1 112 VAL -3.15 -2.42 1 113 ALA -5.47 -2.14 1 114 ILE -0.79 -2.54 1 115 ASN -4.21 -3.18 1 116 ARG -3.83 -2.73 1 118 PHE -0.85 -1.58 1 119 LEU -2.22 -3.76 1 120 ALA -2.06 -2.22 1 121 GLN 3.18 0.51 1 122 ALA -4.90 -3.07 1 123 LEU -1.62 -2.18 1 124 ARG -3.42 -2.80 1 125 VAL -5.03 -6.15 1 126 PHE -7.22 -3.96 1 127 THR -2.75 -3.14 1 129 ILE -1.96 -2.45 1 130 TYR -4.65 -2.67 1 131 ASP -2.14 -3.84 1 132 GLU 3.26 0.50 1 133 ASN -0.64 -2.01 1 134 HIS 4.86 1.70 1 135 LYS -0.77 -2.83 1 136 GLN 4.67 0.18 1 137 ILE -1.19 -1.32 1 139 VAL -4.86 -1.93 1 140 VAL 0.01 -1.04 1 141 ALA -7.66 -5.06 1 142 ILE -3.05 -3.38 1 144 LEU -3.76 -3.27 1 145 GLU 1.16 0.10 1 146 LEU 1.52 -0.79 1 147 SER 3.47 0.51 1 148 ARG 1.61 -0.28 1 149 VAL 2.38 -0.22 1 150 THR 2.56 0.50 1 151 GLN 1.47 -0.55 1 152 GLN 0.91 -0.87 1 153 ILE 1.05 -0.87 1 154 ASN 0.27 -1.22 1 155 ASP -0.11 -1.48 1 156 SER -0.10 -1.60 1 157 ARG 1.13 -0.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4821_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.12 _LACS_plot.Line_1_terminator_val_y_1 3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 -3.42 _LACS_plot.Y_axis_chem_shift_offset 1.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 HIS 2.09 1.19 0 80 MET 4.05 -6.41 0 12 SER 0.46 -1.58 1 14 LEU 3.96 -1.09 1 17 ARG 0.64 -1.81 1 20 HIS 1.12 1.43 1 22 SER 0.38 -1.58 1 23 ASP 1.68 -1.86 1 24 MET 1.70 -2.11 1 25 THR 1.26 -1.49 1 26 ARG 3.65 -2.38 1 27 ASP 2.17 -1.78 1 29 LEU 3.13 -2.02 1 30 ALA 3.63 -2.36 1 31 ASN 3.99 -2.42 1 32 LYS 4.04 -2.39 1 33 ALA 3.71 -2.52 1 34 LEU 3.21 -2.02 1 35 ALA 4.61 -3.17 1 36 VAL 5.37 -3.16 1 37 ALA 4.57 -3.17 1 38 ARG 3.49 -1.49 1 39 THR 5.56 -2.30 1 40 LEU 3.08 -1.89 1 41 ALA 2.25 -1.71 1 42 ASP -1.73 -0.81 1 43 SER -0.90 -1.60 1 45 GLU 4.07 -2.19 1 46 ILE 4.41 -5.00 1 47 ARG 5.35 -2.30 1 48 GLN 3.42 -2.67 1 50 LEU 1.43 -1.70 1 51 GLN 0.78 -2.30 1 52 LYS -3.86 0.13 1 53 LYS 2.60 -3.63 1 55 GLN 4.96 -3.48 1 56 GLU -2.50 -0.49 1 57 SER 0.71 0.29 1 59 ILE 6.61 -3.62 1 60 GLN 6.10 -4.13 1 61 ALA 3.47 -2.44 1 62 ILE 2.88 -1.27 1 63 ALA 4.20 -2.44 1 64 GLU 0.99 -1.06 1 65 ALA 3.95 -2.68 1 66 VAL 5.54 -3.08 1 67 ARG 5.68 -2.79 1 68 LYS 3.78 -2.23 1 69 ARG 3.00 -2.14 1 70 ASN -1.94 0.83 1 71 ASP 2.49 -3.16 1 72 LEU -2.63 -0.64 1 73 LEU 1.75 -1.13 1 74 PHE -1.95 -0.88 1 75 ILE 1.41 -0.94 1 76 VAL -3.96 1.22 1 77 VAL -1.93 -1.71 1 78 THR -3.61 -0.19 1 79 ASP -2.14 -1.05 1 81 GLN 0.25 -2.26 1 82 SER 2.73 -2.47 1 83 LEU 1.59 -2.92 1 84 ARG 1.37 -1.33 1 85 TYR 1.28 -1.75 1 86 SER -2.86 1.34 1 89 GLU -0.30 -3.01 1 90 ALA 3.38 -2.88 1 91 GLN 4.47 -4.29 1 92 ARG 3.07 -4.65 1 93 ILE 4.50 -3.14 1 95 GLN -0.62 -2.27 1 97 PHE -8.12 0.78 1 98 LYS -1.50 -1.09 1 100 ASP 2.24 -3.00 1 101 ASP 4.27 -6.00 1 102 ILE 1.57 -2.40 1 103 LEU 5.76 -3.83 1 104 LYS 3.05 -1.58 1 105 ALA 0.06 -1.22 1 106 LEU 2.81 -2.76 1 107 ASN -1.45 -0.80 1 109 GLU -4.91 1.36 1 110 GLU -2.23 0.29 1 111 ASN -4.62 1.64 1 112 VAL -3.15 0.73 1 113 ALA -5.47 3.33 1 114 ILE -0.79 -1.75 1 115 ASN -4.21 1.03 1 116 ARG -3.83 1.10 1 118 PHE -0.85 -0.73 1 119 LEU -2.22 -1.54 1 120 ALA -2.06 -0.16 1 121 GLN 3.18 -2.67 1 122 ALA -4.90 1.83 1 123 LEU -1.62 -0.56 1 124 ARG -3.42 0.62 1 125 VAL -5.03 -1.12 1 126 PHE -7.22 3.26 1 127 THR -2.75 -0.39 1 129 ILE -1.96 -0.49 1 130 TYR -4.65 1.98 1 131 ASP -2.14 -1.70 1 132 GLU 3.26 -2.76 1 133 ASN -0.64 -1.37 1 134 HIS 4.86 -3.16 1 135 LYS -0.77 -2.06 1 136 GLN 4.67 -4.49 1 137 ILE -1.19 -0.13 1 139 VAL -4.86 2.93 1 140 VAL 0.01 -1.05 1 141 ALA -7.66 2.60 1 142 ILE -3.05 -0.33 1 144 LEU -3.76 0.49 1 145 GLU 1.16 -1.06 1 146 LEU 1.52 -2.31 1 147 SER 3.47 -2.96 1 148 ARG 1.61 -1.89 1 149 VAL 2.38 -2.60 1 150 THR 2.56 -2.06 1 151 GLN 1.47 -2.02 1 152 GLN 0.91 -1.78 1 153 ILE 1.05 -1.92 1 154 ASN 0.27 -1.49 1 155 ASP -0.11 -1.37 1 156 SER -0.10 -1.50 1 157 ARG 1.13 -1.69 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4821_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.12 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _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 6.61 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 ILE 1.57 -1.31 0 97 PHE -8.12 0.09 0 78 THR -3.61 1.65 0 12 SER 0.46 0.01 1 22 SER 0.38 -0.07 1 23 ASP 1.68 -0.15 1 24 MET 1.70 -0.03 1 25 THR 1.26 0.03 1 26 ARG 3.65 -0.44 1 27 ASP 2.17 -0.22 1 29 LEU 3.13 -0.30 1 30 ALA 3.63 -0.35 1 31 ASN 3.99 -0.30 1 32 LYS 4.04 -0.01 1 33 ALA 3.71 -0.43 1 34 LEU 3.21 -0.55 1 35 ALA 4.61 -0.24 1 36 VAL 5.37 -0.58 1 37 ALA 4.57 -0.62 1 38 ARG 3.49 -0.46 1 39 THR 5.56 -0.07 1 40 LEU 3.08 -0.28 1 41 ALA 2.25 -0.53 1 42 ASP -1.73 0.28 1 43 SER -0.90 0.11 1 45 GLU 4.07 -0.37 1 46 ILE 4.41 -0.40 1 47 ARG 5.35 -0.67 1 48 GLN 3.42 -0.28 1 50 LEU 1.43 -0.42 1 51 GLN 0.78 0.02 1 52 LYS -3.86 0.28 1 53 LYS 2.60 -0.10 1 55 GLN 4.96 -0.29 1 56 GLU -2.50 0.29 1 57 SER 0.71 -0.27 1 59 ILE 6.61 -0.60 1 60 GLN 6.10 0.13 1 61 ALA 3.47 -0.21 1 62 ILE 2.88 -0.39 1 63 ALA 4.20 -0.62 1 64 GLU 0.99 -0.07 1 65 ALA 3.95 -0.18 1 66 VAL 5.54 -0.68 1 67 ARG 5.68 -0.73 1 68 LYS 3.78 -0.24 1 69 ARG 3.00 -0.20 1 70 ASN -1.94 -0.01 1 71 ASP 2.49 -0.30 1 72 LEU -2.63 0.24 1 73 LEU 1.75 0.02 1 74 PHE -1.95 -0.25 1 75 ILE 1.41 0.48 1 76 VAL -3.96 0.34 1 77 VAL -1.93 0.92 1 79 ASP -2.14 0.41 1 80 MET 4.05 0.18 1 81 GLN 0.25 0.18 1 82 SER 2.73 -0.13 1 83 LEU 1.59 -0.20 1 84 ARG 1.37 0.24 1 85 TYR 1.28 -0.25 1 86 SER -2.86 0.51 1 87 HIS 2.09 -0.59 1 89 GLU -0.30 0.11 1 90 ALA 3.38 -0.43 1 91 GLN 4.47 -0.19 1 92 ARG 3.07 -0.43 1 93 ILE 4.50 -0.85 1 95 GLN -0.62 0.13 1 98 LYS -1.50 0.60 1 100 ASP 2.24 -0.17 1 101 ASP 4.27 -0.72 1 103 LEU 5.76 -0.66 1 104 LYS 3.05 -0.44 1 105 ALA 0.06 0.86 1 106 LEU 2.81 -0.50 1 107 ASN -1.45 0.14 1 109 GLU -4.91 0.70 1 110 GLU -2.23 0.29 1 111 ASN -4.62 0.56 1 112 VAL -3.15 1.21 1 113 ALA -5.47 0.40 1 114 ILE -0.79 1.11 1 115 ASN -4.21 0.23 1 116 ARG -3.83 0.57 1 118 PHE -0.85 -0.30 1 119 LEU -2.22 0.23 1 120 ALA -2.06 -0.21 1 121 GLN 3.18 -0.32 1 122 ALA -4.90 0.80 1 123 LEU -1.62 0.37 1 124 ARG -3.42 0.84 1 125 VAL -5.03 1.41 1 126 PHE -7.22 1.00 1 127 THR -2.75 0.65 1 129 ILE -1.96 -0.01 1 130 TYR -4.65 0.58 1 131 ASP -2.14 -0.10 1 132 GLU 3.26 -0.30 1 133 ASN -0.64 0.13 1 134 HIS 4.86 -0.98 1 135 LYS -0.77 0.26 1 136 GLN 4.67 -0.10 1 137 ILE -1.19 0.34 1 139 VAL -4.86 0.30 1 140 VAL 0.01 0.22 1 141 ALA -7.66 0.93 1 142 ILE -3.05 0.22 1 144 LEU -3.76 0.31 1 145 GLU 1.16 -0.41 1 146 LEU 1.52 -0.32 1 147 SER 3.47 -0.58 1 148 ARG 1.61 -0.01 1 149 VAL 2.38 -0.13 1 150 THR 2.56 -0.18 1 151 GLN 1.47 -0.11 1 152 GLN 0.91 -0.07 1 153 ILE 1.05 -0.12 1 154 ASN 0.27 -0.41 1 155 ASP -0.11 -0.02 1 156 SER -0.10 -0.04 1 157 ARG 1.13 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4821_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.12 _LACS_plot.Line_1_terminator_val_y_1 -4.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.50 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 0.95 _LACS_plot.Y_axis_chem_shift_offset 1.65 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 ASN -4.21 3.29 0 22 SER 0.38 0.26 1 23 ASP 1.68 -0.98 1 24 MET 1.70 -0.37 1 25 THR 1.26 -0.74 1 26 ARG 3.65 -0.53 1 27 ASP 2.17 0.32 1 29 LEU 3.13 0.04 1 30 ALA 3.63 -0.05 1 31 ASN 3.99 1.81 1 32 LYS 4.04 -4.25 1 33 ALA 3.71 0.18 1 34 LEU 3.21 -0.61 1 35 ALA 4.61 1.79 1 36 VAL 5.37 0.38 1 37 ALA 4.57 -0.56 1 38 ARG 3.49 1.22 1 39 THR 5.56 1.35 1 40 LEU 3.08 -0.50 1 41 ALA 2.25 -1.66 1 42 ASP -1.73 -1.61 1 45 GLU 4.07 2.03 1 46 ILE 4.41 -1.39 1 47 ARG 5.35 1.31 1 48 GLN 3.42 2.46 1 50 LEU 1.43 -1.77 1 51 GLN 0.78 -1.22 1 52 LYS -3.86 -2.56 1 55 GLN 4.96 -0.91 1 56 GLU -2.50 -1.09 1 57 SER 0.71 -0.98 1 59 ILE 6.61 -1.54 1 60 GLN 6.10 -0.23 1 61 ALA 3.47 2.13 1 62 ILE 2.88 -0.46 1 63 ALA 4.20 0.46 1 64 GLU 0.99 0.53 1 65 ALA 3.95 2.04 1 66 VAL 5.54 0.89 1 67 ARG 5.68 0.94 1 68 LYS 3.78 1.94 1 69 ARG 3.00 -0.96 1 70 ASN -1.94 -4.13 1 71 ASP 2.49 -3.64 1 72 LEU -2.63 -2.91 1 73 LEU 1.75 -2.00 1 75 ILE 1.41 -2.38 1 76 VAL -3.96 -4.41 1 77 VAL -1.93 -2.06 1 78 THR -3.61 -2.18 1 79 ASP -2.14 2.13 1 80 MET 4.05 -0.13 1 81 GLN 0.25 -1.36 1 82 SER 2.73 -3.78 1 83 LEU 1.59 -1.12 1 84 ARG 1.37 0.38 1 85 TYR 1.28 -3.64 1 86 SER -2.86 -3.27 1 89 GLU -0.30 -2.39 1 90 ALA 3.38 0.18 1 91 GLN 4.47 -1.50 1 92 ARG 3.07 -0.45 1 93 ILE 4.50 -1.00 1 97 PHE -8.12 -4.30 1 98 LYS -1.50 -5.39 1 100 ASP 2.24 -0.98 1 101 ASP 4.27 -2.09 1 102 ILE 1.57 -1.31 1 103 LEU 5.76 0.86 1 104 LYS 3.05 0.19 1 105 ALA 0.06 1.96 1 106 LEU 2.81 -3.25 1 107 ASN -1.45 -0.96 1 109 GLU -4.91 -3.13 1 110 GLU -2.23 -4.25 1 111 ASN -4.62 -4.18 1 112 VAL -3.15 -3.11 1 113 ALA -5.47 -4.35 1 114 ILE -0.79 -1.59 1 116 ARG -3.83 -3.82 1 118 PHE -0.85 -0.15 1 120 ALA -2.06 -3.87 1 121 GLN 3.18 -1.02 1 122 ALA -4.90 -4.15 1 124 ARG -3.42 -3.61 1 125 VAL -5.03 -3.90 1 126 PHE -7.22 -1.70 1 129 ILE -1.96 -2.98 1 130 TYR -4.65 -1.74 1 131 ASP -2.14 0.57 1 132 GLU 3.26 -1.45 1 133 ASN -0.64 -1.98 1 134 HIS 4.86 -2.46 1 135 LYS -0.77 -1.37 1 136 GLN 4.67 -0.80 1 137 ILE -1.19 -2.70 1 139 VAL -4.86 -3.78 1 140 VAL 0.01 -5.17 1 141 ALA -7.66 -3.30 1 144 LEU -3.76 -3.67 1 145 GLU 1.16 -0.72 1 146 LEU 1.52 -0.41 1 147 SER 3.47 -0.39 1 148 ARG 1.61 -0.27 1 149 VAL 2.38 -1.18 1 150 THR 2.56 -1.28 1 151 GLN 1.47 -1.33 1 152 GLN 0.91 -0.97 1 153 ILE 1.05 -1.06 1 154 ASN 0.27 -1.44 1 155 ASP -0.11 -1.63 1 156 SER -0.10 -2.42 1 stop_ save_