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 bmr6434_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.32 _LACS_plot.Line_1_terminator_val_y_1 -3.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.51 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 4.73 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 HIS -9.32 1.35 0 11 SER 0.02 -0.09 1 13 LEU 0.02 -0.07 1 14 VAL 0.60 0.42 1 16 ARG 0.71 0.55 1 20 MET 0.49 -0.70 1 21 LYS 2.77 0.99 1 22 HIS 2.54 3.45 1 23 THR 5.85 4.87 1 24 GLU 2.93 2.90 1 25 LEU 3.45 3.32 1 26 ARG 5.35 4.59 1 27 ALA 3.72 2.78 1 28 ALA 3.62 2.26 1 29 VAL 5.29 4.26 1 30 LEU 4.54 3.78 1 31 ASP 2.93 3.19 1 32 ALA 2.66 2.36 1 33 LEU 3.09 3.10 1 34 GLU 3.12 2.51 1 35 LYS 2.49 1.79 1 36 HIS 0.11 1.86 1 37 ASP 0.82 0.66 1 38 THR 1.04 1.53 1 40 ALA -2.93 -1.12 1 41 THR 1.31 0.73 1 42 PHE -1.82 0.06 1 43 PHE -3.33 -0.22 1 44 ASP -0.93 -1.36 1 46 ARG 0.52 0.39 1 48 ALA -0.53 0.25 1 49 VAL -3.99 -2.05 1 50 PHE -3.23 -0.43 1 51 ASP -3.74 -1.16 1 52 GLU 3.46 2.99 1 53 ALA 1.19 0.73 1 54 ASP 0.69 1.32 1 55 PHE -0.03 -0.36 1 57 ALA -6.75 -2.67 1 58 VAL -3.11 -1.69 1 59 ALA -6.51 -2.71 1 60 VAL -3.10 -1.73 1 61 TYR -1.44 -1.28 1 62 LEU -3.85 -1.20 1 63 THR -3.11 -1.28 1 65 ALA 0.18 0.07 1 66 GLU -3.55 -1.30 1 67 TYR 0.18 -0.59 1 68 THR 0.10 -0.50 1 70 GLU 0.67 1.03 1 71 GLU 0.67 0.49 1 72 LEU 0.22 0.09 1 73 ASP 1.01 0.51 1 74 SER -1.36 -0.42 1 75 ASP 0.22 0.33 1 76 THR -0.96 -0.23 1 77 TRP -3.46 -1.18 1 78 GLN -6.73 -1.87 1 79 ALA -5.44 -1.09 1 80 GLU -2.56 -1.62 1 81 LEU -3.55 -1.05 1 82 HIS -1.01 -0.56 1 83 ILE -0.22 0.20 1 84 GLU -6.99 -3.15 1 85 VAL -3.14 -1.95 1 86 PHE -3.74 -1.27 1 87 LEU -3.51 -1.97 1 89 ALA 1.49 0.87 1 90 GLN 1.81 0.55 1 91 VAL 1.49 0.15 1 93 ASP 5.61 3.48 1 94 SER 4.13 2.43 1 95 GLU 2.71 2.60 1 96 LEU 4.04 3.37 1 97 ASP 4.38 3.00 1 98 ALA 3.35 2.32 1 99 TRP 5.05 5.24 1 100 MET 4.04 3.28 1 101 GLU 2.93 3.03 1 102 SER 0.80 1.60 1 103 ARG -0.54 0.70 1 104 ILE 1.66 -0.61 1 105 TYR -0.74 0.62 1 107 VAL 3.90 2.77 1 108 MET 2.58 -0.77 1 109 SER 1.63 1.59 1 110 ASP 1.77 3.20 1 111 ILE -0.03 -0.48 1 113 ALA 2.11 1.96 1 114 LEU 2.18 1.61 1 115 SER 1.18 1.73 1 116 ASP 1.45 1.50 1 117 LEU -2.49 1.02 1 118 ILE -3.95 -1.36 1 119 THR 0.93 0.62 1 120 SER -1.65 0.21 1 121 MET -2.48 0.68 1 122 VAL -4.21 -1.72 1 123 ALA 2.71 1.38 1 124 SER -1.11 -0.02 1 126 TYR -1.55 -0.02 1 127 ASP -5.96 -1.73 1 128 TYR -2.08 -1.21 1 129 ARG -2.72 -1.33 1 130 ARG -4.26 -2.08 1 131 ASP 0.07 -1.69 1 132 ASP 1.70 1.66 1 133 ASP 1.70 2.35 1 134 ALA -2.09 -0.63 1 136 LEU 4.22 4.81 1 137 TRP -6.73 -3.14 1 138 SER -3.22 -0.02 1 139 SER -6.38 -2.03 1 140 ALA -5.34 -1.98 1 141 ASP -2.85 -1.47 1 142 LEU -2.77 -0.75 1 143 THR -2.83 -1.82 1 144 TYR -4.70 -1.32 1 145 VAL 1.04 0.57 1 146 ILE -5.36 -2.48 1 147 THR -3.71 -1.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6434_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.32 _LACS_plot.Line_1_terminator_val_y_1 5.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.49 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 -1.12 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 HIS -9.32 10.67 0 11 SER 0.02 -0.11 1 13 LEU 0.02 -0.09 1 14 VAL 0.60 -0.18 1 16 ARG 0.71 -0.16 1 20 MET 0.49 -1.19 1 21 LYS 2.77 -1.78 1 22 HIS 2.54 0.91 1 23 THR 5.85 -0.98 1 24 GLU 2.93 -0.03 1 25 LEU 3.45 -0.13 1 26 ARG 5.35 -0.76 1 27 ALA 3.72 -0.94 1 28 ALA 3.62 -1.36 1 29 VAL 5.29 -1.03 1 30 LEU 4.54 -0.76 1 31 ASP 2.93 0.26 1 32 ALA 2.66 -0.30 1 33 LEU 3.09 0.01 1 34 GLU 3.12 -0.61 1 35 LYS 2.49 -0.70 1 36 HIS 0.11 1.75 1 37 ASP 0.82 -0.16 1 38 THR 1.04 0.49 1 40 ALA -2.93 1.81 1 41 THR 1.31 -0.58 1 42 PHE -1.82 1.88 1 43 PHE -3.33 3.11 1 44 ASP -0.93 -0.43 1 46 ARG 0.52 -0.13 1 48 ALA -0.53 0.78 1 49 VAL -3.99 1.94 1 50 PHE -3.23 2.80 1 51 ASP -3.74 2.58 1 52 GLU 3.46 -0.47 1 53 ALA 1.19 -0.46 1 54 ASP 0.69 0.63 1 55 PHE -0.03 -0.33 1 57 ALA -6.75 4.08 1 58 VAL -3.11 1.42 1 59 ALA -6.51 3.80 1 60 VAL -3.10 1.37 1 61 TYR -1.44 0.16 1 62 LEU -3.85 2.65 1 63 THR -3.11 1.83 1 65 ALA 0.18 -0.11 1 66 GLU -3.55 2.25 1 67 TYR 0.18 -0.77 1 68 THR 0.10 -0.60 1 70 GLU 0.67 0.36 1 71 GLU 0.67 -0.18 1 72 LEU 0.22 -0.13 1 73 ASP 1.01 -0.50 1 74 SER -1.36 0.94 1 75 ASP 0.22 0.11 1 76 THR -0.96 0.73 1 77 TRP -3.46 2.28 1 78 GLN -6.73 4.86 1 79 ALA -5.44 4.35 1 80 GLU -2.56 0.94 1 81 LEU -3.55 2.50 1 82 HIS -1.01 0.45 1 83 ILE -0.22 0.42 1 84 GLU -6.99 3.84 1 85 VAL -3.14 1.19 1 86 PHE -3.74 2.47 1 87 LEU -3.51 1.54 1 89 ALA 1.49 -0.62 1 90 GLN 1.81 -1.26 1 91 VAL 1.49 -1.34 1 93 ASP 5.61 -2.13 1 94 SER 4.13 -1.70 1 95 GLU 2.71 -0.11 1 96 LEU 4.04 -0.67 1 97 ASP 4.38 -1.38 1 98 ALA 3.35 -1.03 1 99 TRP 5.05 0.19 1 100 MET 4.04 -0.76 1 101 GLU 2.93 0.10 1 102 SER 0.80 0.80 1 103 ARG -0.54 1.24 1 104 ILE 1.66 -2.27 1 105 TYR -0.74 1.36 1 107 VAL 3.90 -1.13 1 108 MET 2.58 -3.35 1 109 SER 1.63 -0.04 1 110 ASP 1.77 1.43 1 111 ILE -0.03 -0.45 1 113 ALA 2.11 -0.15 1 114 LEU 2.18 -0.57 1 115 SER 1.18 0.55 1 116 ASP 1.45 0.05 1 117 LEU -2.49 3.51 1 118 ILE -3.95 2.59 1 119 THR 0.93 -0.31 1 120 SER -1.65 1.86 1 121 MET -2.48 3.16 1 122 VAL -4.21 2.49 1 123 ALA 2.71 -1.33 1 124 SER -1.11 1.09 1 126 TYR -1.55 1.53 1 127 ASP -5.96 4.23 1 128 TYR -2.08 0.87 1 129 ARG -2.72 1.39 1 130 ARG -4.26 2.18 1 131 ASP 0.07 -1.76 1 132 ASP 1.70 -0.04 1 133 ASP 1.70 0.65 1 134 ALA -2.09 1.46 1 136 LEU 4.22 0.59 1 137 TRP -6.73 3.59 1 138 SER -3.22 3.20 1 139 SER -6.38 4.35 1 140 ALA -5.34 3.36 1 141 ASP -2.85 1.38 1 142 LEU -2.77 2.02 1 143 THR -2.83 1.01 1 144 TYR -4.70 3.38 1 145 VAL 1.04 -0.47 1 146 ILE -5.36 2.88 1 147 THR -3.71 2.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6434_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.32 _LACS_plot.Line_1_terminator_val_y_1 1.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 HIS -9.32 0.39 0 11 SER 0.02 -0.02 1 13 LEU 0.02 0.00 1 14 VAL 0.60 -0.04 1 16 ARG 0.71 -0.05 1 20 MET 0.49 0.33 1 21 LYS 2.77 -0.03 1 22 HIS 2.54 -0.90 1 23 THR 5.85 -0.48 1 24 GLU 2.93 -0.38 1 25 LEU 3.45 -0.50 1 26 ARG 5.35 -0.11 1 27 ALA 3.72 -0.31 1 28 ALA 3.62 -0.24 1 29 VAL 5.29 -0.53 1 30 LEU 4.54 -0.62 1 31 ASP 2.93 -0.41 1 32 ALA 2.66 -0.13 1 33 LEU 3.09 -0.26 1 34 GLU 3.12 -0.40 1 35 LYS 2.49 -0.20 1 36 HIS 0.11 -0.15 1 37 ASP 0.82 0.05 1 38 THR 1.04 -0.02 1 40 ALA -2.93 0.35 1 41 THR 1.31 -0.19 1 42 PHE -1.82 0.88 1 43 PHE -3.33 0.89 1 44 ASP -0.93 0.42 1 46 ARG 0.52 -0.78 1 48 ALA -0.53 -0.28 1 49 VAL -3.99 -0.02 1 50 PHE -3.23 -0.28 1 51 ASP -3.74 0.04 1 52 GLU 3.46 -0.44 1 53 ALA 1.19 -0.02 1 54 ASP 0.69 -0.18 1 55 PHE -0.03 -0.21 1 57 ALA -6.75 1.29 1 58 VAL -3.11 1.11 1 59 ALA -6.51 1.51 1 60 VAL -3.10 1.26 1 61 TYR -1.44 0.25 1 62 LEU -3.85 1.63 1 63 THR -3.11 0.47 1 65 ALA 0.18 0.75 1 66 GLU -3.55 0.23 1 67 TYR 0.18 -0.34 1 68 THR 0.10 -0.06 1 70 GLU 0.67 -0.11 1 71 GLU 0.67 -0.10 1 72 LEU 0.22 0.01 1 73 ASP 1.01 -0.19 1 74 SER -1.36 0.08 1 75 ASP 0.22 0.06 1 76 THR -0.96 0.38 1 78 GLN -6.73 1.32 1 79 ALA -5.44 0.53 1 80 GLU -2.56 0.87 1 81 LEU -3.55 0.45 1 82 HIS -1.01 0.45 1 83 ILE -0.22 0.58 1 84 GLU -6.99 1.37 1 85 VAL -3.14 0.67 1 86 PHE -3.74 0.24 1 87 LEU -3.51 -0.07 1 89 ALA 1.49 -0.49 1 90 GLN 1.81 -0.22 1 91 VAL 1.49 0.01 1 93 ASP 5.61 -0.57 1 94 SER 4.13 -0.23 1 95 GLU 2.71 -0.05 1 96 LEU 4.04 -0.21 1 97 ASP 4.38 -0.31 1 98 ALA 3.35 -0.09 1 99 TRP 5.05 -0.73 1 100 MET 4.04 -0.31 1 101 GLU 2.93 -0.38 1 102 SER 0.80 -0.02 1 103 ARG -0.54 0.16 1 104 ILE 1.66 0.20 1 105 TYR -0.74 0.65 1 107 VAL 3.90 -0.62 1 108 MET 2.58 -0.17 1 109 SER 1.63 -0.23 1 110 ASP 1.77 0.08 1 111 ILE -0.03 0.08 1 113 ALA 2.11 -0.15 1 114 LEU 2.18 -0.23 1 115 SER 1.18 -0.36 1 116 ASP 1.45 -0.01 1 117 LEU -2.49 0.11 1 118 ILE -3.95 0.89 1 119 THR 0.93 0.17 1 120 SER -1.65 0.16 1 121 MET -2.48 0.65 1 122 VAL -4.21 0.42 1 123 ALA 2.71 -0.39 1 124 SER -1.11 0.14 1 126 TYR -1.55 0.69 1 127 ASP -5.96 0.13 1 128 TYR -2.08 0.94 1 129 ARG -2.72 0.45 1 130 ARG -4.26 0.19 1 131 ASP 0.07 -0.88 1 132 ASP 1.70 -0.31 1 133 ASP 1.70 -0.15 1 134 ALA -2.09 0.24 1 136 LEU 4.22 0.00 1 137 TRP -6.73 0.71 1 138 SER -3.22 0.55 1 139 SER -6.38 1.50 1 140 ALA -5.34 0.64 1 141 ASP -2.85 0.03 1 142 LEU -2.77 0.43 1 143 THR -2.83 0.70 1 144 TYR -4.70 0.48 1 145 VAL 1.04 0.52 1 146 ILE -5.36 1.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6434_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.32 _LACS_plot.Line_1_terminator_val_y_1 5.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 2.91 _LACS_plot.Line_2_terminator_val_x_2 5.85 _LACS_plot.Line_2_terminator_val_y_2 -0.28 _LACS_plot.Y_axis_chem_shift_offset -2.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 LEU -3.85 -6.80 0 13 LEU 0.02 3.37 1 14 VAL 0.60 2.72 1 16 ARG 0.71 1.54 1 19 HIS -9.32 6.35 1 20 MET 0.49 -5.81 1 22 HIS 2.54 2.64 1 23 THR 5.85 2.75 1 24 GLU 2.93 1.73 1 25 LEU 3.45 -2.17 1 26 ARG 5.35 0.69 1 27 ALA 3.72 -1.21 1 28 ALA 3.62 -2.52 1 29 VAL 5.29 -2.02 1 30 LEU 4.54 0.02 1 31 ASP 2.93 -0.23 1 32 ALA 2.66 -0.97 1 33 LEU 3.09 -3.62 1 34 GLU 3.12 0.36 1 35 LYS 2.49 -0.26 1 36 HIS 0.11 3.15 1 37 ASP 0.82 3.86 1 38 THR 1.04 4.30 1 40 ALA -2.93 3.17 1 41 THR 1.31 6.14 1 42 PHE -1.82 6.08 1 43 PHE -3.33 3.15 1 44 ASP -0.93 4.91 1 46 ARG 0.52 -2.96 1 48 ALA -0.53 2.36 1 49 VAL -3.99 1.12 1 50 PHE -3.23 6.07 1 51 ASP -3.74 3.06 1 52 GLU 3.46 1.67 1 53 ALA 1.19 -0.60 1 54 ASP 0.69 0.44 1 55 PHE -0.03 5.12 1 57 ALA -6.75 2.73 1 58 VAL -3.11 3.04 1 59 ALA -6.51 2.65 1 60 VAL -3.10 2.96 1 61 TYR -1.44 3.84 1 63 THR -3.11 2.62 1 65 ALA 0.18 2.55 1 66 GLU -3.55 -0.09 1 67 TYR 0.18 2.24 1 70 GLU 0.67 -0.26 1 71 GLU 0.67 0.92 1 72 LEU 0.22 0.54 1 73 ASP 1.01 1.49 1 74 SER -1.36 4.62 1 75 ASP 0.22 1.97 1 76 THR -0.96 4.91 1 79 ALA -5.44 2.65 1 80 GLU -2.56 -0.82 1 81 LEU -3.55 2.09 1 82 HIS -1.01 6.67 1 83 ILE -0.22 4.59 1 84 GLU -6.99 4.56 1 85 VAL -3.14 3.95 1 86 PHE -3.74 5.44 1 87 LEU -3.51 4.50 1 89 ALA 1.49 1.05 1 90 GLN 1.81 1.96 1 91 VAL 1.49 3.75 1 93 ASP 5.61 0.82 1 94 SER 4.13 2.42 1 95 GLU 2.71 0.54 1 96 LEU 4.04 -2.91 1 97 ASP 4.38 -0.35 1 98 ALA 3.35 -1.43 1 100 MET 4.04 -2.34 1 101 GLU 2.93 -0.82 1 102 SER 0.80 2.55 1 103 ARG -0.54 2.23 1 104 ILE 1.66 3.11 1 105 TYR -0.74 5.67 1 107 VAL 3.90 -0.28 1 108 MET 2.58 1.30 1 109 SER 1.63 2.73 1 110 ASP 1.77 4.37 1 113 ALA 2.11 -1.21 1 114 LEU 2.18 -2.78 1 115 SER 1.18 1.64 1 116 ASP 1.45 3.12 1 117 LEU -2.49 0.41 1 118 ILE -3.95 0.93 1 119 THR 0.93 4.84 1 120 SER -1.65 4.63 1 121 MET -2.48 -5.59 1 122 VAL -4.21 4.70 1 123 ALA 2.71 2.21 1 124 SER -1.11 0.71 1 126 TYR -1.55 -5.13 1 127 ASP -5.96 4.99 1 128 TYR -2.08 4.97 1 129 ARG -2.72 1.68 1 130 ARG -4.26 4.20 1 131 ASP 0.07 3.66 1 132 ASP 1.70 2.03 1 133 ASP 1.70 2.53 1 134 ALA -2.09 0.20 1 136 LEU 4.22 1.91 1 137 TRP -6.73 0.78 1 138 SER -3.22 4.75 1 139 SER -6.38 -3.50 1 140 ALA -5.34 3.06 1 141 ASP -2.85 4.51 1 142 LEU -2.77 2.31 1 143 THR -2.83 6.17 1 144 TYR -4.70 4.35 1 145 VAL 1.04 2.75 1 146 ILE -5.36 1.14 1 stop_ save_