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 bmr15560_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -3.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 6.11 _LACS_plot.Line_2_terminator_val_y_2 4.19 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 HIS -6.73 0.07 0 126 GLU 4.55 5.33 0 41 HIS -6.50 0.29 0 73 HIS -0.12 3.80 0 120 PHE -6.43 0.69 0 10 ASP -5.11 -2.50 1 12 VAL 4.91 2.87 1 13 THR -0.53 -0.35 1 15 THR -0.63 0.26 1 16 THR 1.51 0.99 1 18 ARG -0.18 -0.78 1 19 ILE 6.11 5.60 1 20 GLU 3.15 1.59 1 21 ASP 2.66 2.02 1 22 VAL 5.37 4.36 1 23 VAL 5.55 4.78 1 26 ARG 3.22 -0.32 1 27 LYS 0.36 1.10 1 29 ILE 0.08 0.28 1 30 HIS -1.15 1.37 1 31 VAL -5.86 -4.13 1 32 VAL 2.90 0.76 1 33 ALA -7.65 -2.31 1 34 ALA -5.00 -2.14 1 35 ALA -3.46 -1.94 1 36 LYS 4.14 3.30 1 37 ASP 0.13 -0.87 1 39 THR -1.03 -0.24 1 40 LEU -1.24 -1.30 1 42 ALA -1.33 -1.04 1 43 ARG -8.34 -2.58 1 45 VAL 0.58 0.13 1 46 VAL -2.88 -2.02 1 47 SER -2.74 -0.78 1 48 TRP -2.14 1.17 1 49 PHE -3.57 -1.52 1 50 ASP -0.29 -0.19 1 51 GLN 0.24 -0.36 1 53 THR 2.76 1.44 1 54 ARG -6.71 -1.47 1 55 ASP 0.48 0.57 1 56 VAL -5.22 -2.85 1 57 ILE -4.56 -1.62 1 59 LEU -3.04 -2.33 1 60 ARG -1.56 -0.55 1 61 ILE -1.47 -1.79 1 62 ALA 2.68 2.03 1 65 ALA -0.95 -0.06 1 66 ILE -2.76 -0.65 1 67 LEU -4.28 -2.05 1 68 TRP -3.05 -2.17 1 69 ALA -6.40 -2.91 1 70 THR 2.83 1.15 1 72 ASP -0.28 -0.79 1 74 LYS 1.00 1.32 1 75 VAL -3.81 -0.90 1 76 LEU 3.53 0.61 1 77 THR -5.58 -1.89 1 78 GLU 2.33 1.29 1 79 TYR -1.27 -1.69 1 81 TRP 0.67 0.79 1 82 ARG -5.92 -1.68 1 83 ALA 0.52 -0.11 1 84 ALA 4.44 3.13 1 86 GLU -1.41 -0.71 1 87 LEU 0.14 -0.24 1 88 ARG -6.07 -2.82 1 89 LYS 2.94 2.16 1 91 ASP 0.62 1.54 1 92 ARG -1.76 -0.43 1 93 VAL -4.63 -3.43 1 94 ALA -1.20 -1.07 1 95 VAL -7.36 -4.66 1 96 ARG -3.00 -1.76 1 97 ASP -1.83 0.28 1 98 VAL 4.25 3.00 1 99 GLU 2.05 2.10 1 100 THR -1.20 0.36 1 102 GLU -3.85 -1.28 1 103 LEU 0.71 1.20 1 104 ARG -4.49 -2.05 1 105 TYR -2.45 -0.53 1 106 SER -4.71 -1.64 1 107 VAL -1.22 -0.31 1 108 ILE 1.64 0.71 1 109 ARG -0.39 0.20 1 110 GLU -4.39 -0.55 1 111 VAL -0.34 -0.77 1 112 LEU 0.22 0.18 1 114 THR 0.70 0.71 1 115 ARG -3.25 -1.81 1 116 ARG -0.83 -0.89 1 117 ALA -6.09 -1.56 1 118 ARG 2.44 2.22 1 119 THR -4.58 -1.13 1 122 LEU -6.24 -2.13 1 123 GLU -4.49 -1.37 1 124 VAL -1.75 -0.61 1 125 GLU 1.07 1.95 1 127 LEU 0.24 0.46 1 128 HIS 2.58 0.06 1 129 THR -6.80 -3.05 1 130 LEU -2.14 0.20 1 131 VAL 1.03 -0.50 1 132 ALA -4.84 -2.02 1 133 GLU 3.93 0.98 1 135 VAL -1.87 -1.20 1 136 VAL 4.27 1.89 1 137 VAL -7.86 -3.63 1 138 HIS -0.13 1.91 1 139 ASN 2.91 3.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15560_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 5.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 6.11 _LACS_plot.Line_2_terminator_val_y_2 -1.92 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 HIS -6.73 6.80 0 126 GLU 4.55 0.78 0 41 HIS -6.50 6.79 0 73 HIS -0.12 3.92 0 120 PHE -6.43 7.12 0 10 ASP -5.11 2.61 1 12 VAL 4.91 -2.04 1 13 THR -0.53 0.18 1 15 THR -0.63 0.89 1 16 THR 1.51 -0.52 1 18 ARG -0.18 -0.60 1 19 ILE 6.11 -0.51 1 20 GLU 3.15 -1.56 1 21 ASP 2.66 -0.64 1 22 VAL 5.37 -1.01 1 23 VAL 5.55 -0.77 1 26 ARG 3.22 -3.54 1 27 LYS 0.36 0.74 1 29 ILE 0.08 0.20 1 30 HIS -1.15 2.52 1 31 VAL -5.86 1.73 1 32 VAL 2.90 -2.14 1 33 ALA -7.65 5.34 1 34 ALA -5.00 2.86 1 35 ALA -3.46 1.52 1 36 LYS 4.14 -0.84 1 37 ASP 0.13 -1.00 1 39 THR -1.03 0.79 1 40 LEU -1.24 -0.06 1 42 ALA -1.33 0.29 1 43 ARG -8.34 5.76 1 45 VAL 0.58 -0.45 1 46 VAL -2.88 0.86 1 47 SER -2.74 1.96 1 48 TRP -2.14 3.31 1 49 PHE -3.57 2.05 1 50 ASP -0.29 0.10 1 51 GLN 0.24 -0.60 1 53 THR 2.76 -1.32 1 54 ARG -6.71 5.24 1 55 ASP 0.48 0.09 1 56 VAL -5.22 2.37 1 57 ILE -4.56 2.94 1 59 LEU -3.04 0.71 1 60 ARG -1.56 1.01 1 61 ILE -1.47 -0.32 1 62 ALA 2.68 -0.65 1 65 ALA -0.95 0.89 1 66 ILE -2.76 2.11 1 67 LEU -4.28 2.23 1 68 TRP -3.05 0.88 1 69 ALA -6.40 3.49 1 70 THR 2.83 -1.68 1 72 ASP -0.28 -0.51 1 74 LYS 1.00 0.32 1 75 VAL -3.81 2.91 1 76 LEU 3.53 -2.92 1 77 THR -5.58 3.69 1 78 GLU 2.33 -1.04 1 79 TYR -1.27 -0.42 1 81 TRP 0.67 0.12 1 82 ARG -5.92 4.24 1 83 ALA 0.52 -0.63 1 84 ALA 4.44 -1.31 1 86 GLU -1.41 0.70 1 87 LEU 0.14 -0.38 1 88 ARG -6.07 3.25 1 89 LYS 2.94 -0.78 1 91 ASP 0.62 0.92 1 92 ARG -1.76 1.33 1 93 VAL -4.63 1.20 1 94 ALA -1.20 0.13 1 95 VAL -7.36 2.70 1 96 ARG -3.00 1.24 1 97 ASP -1.83 2.11 1 98 VAL 4.25 -1.25 1 99 GLU 2.05 0.05 1 100 THR -1.20 1.56 1 102 GLU -3.85 2.57 1 103 LEU 0.71 0.49 1 104 ARG -4.49 2.44 1 105 TYR -2.45 1.92 1 106 SER -4.71 3.07 1 107 VAL -1.22 0.91 1 108 ILE 1.64 -0.93 1 109 ARG -0.39 0.59 1 110 GLU -4.39 3.84 1 111 VAL -0.34 -0.43 1 112 LEU 0.22 -0.04 1 114 THR 0.70 0.01 1 115 ARG -3.25 1.44 1 116 ARG -0.83 -0.06 1 117 ALA -6.09 4.53 1 118 ARG 2.44 -0.22 1 119 THR -4.58 3.45 1 122 LEU -6.24 4.11 1 123 GLU -4.49 3.12 1 124 VAL -1.75 1.14 1 125 GLU 1.07 0.88 1 127 LEU 0.24 0.22 1 128 HIS 2.58 -2.52 1 129 THR -6.80 3.75 1 130 LEU -2.14 2.34 1 131 VAL 1.03 -1.53 1 132 ALA -4.84 2.82 1 133 GLU 3.93 -2.95 1 135 VAL -1.87 0.67 1 136 VAL 4.27 -2.38 1 137 VAL -7.86 4.23 1 138 HIS -0.13 2.04 1 139 ASN 2.91 0.51 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15560_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.11 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _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 26 ARG 3.22 -2.82 0 10 ASP -5.11 0.60 1 12 VAL 4.91 -0.47 1 13 THR -0.53 -0.12 1 15 THR -0.63 -0.06 1 16 THR 1.51 0.57 1 17 HIS -6.73 -0.14 1 18 ARG -0.18 0.36 1 19 ILE 6.11 -0.47 1 20 GLU 3.15 -1.56 1 21 ASP 2.66 -0.12 1 22 VAL 5.37 -0.82 1 23 VAL 5.55 -0.19 1 27 LYS 0.36 -0.46 1 29 ILE 0.08 0.26 1 30 HIS -1.15 0.42 1 31 VAL -5.86 1.09 1 32 VAL 2.90 0.12 1 33 ALA -7.65 0.19 1 34 ALA -5.00 0.89 1 35 ALA -3.46 0.31 1 36 LYS 4.14 -0.11 1 37 ASP 0.13 -0.11 1 39 THR -1.03 -0.07 1 40 LEU -1.24 0.99 1 41 HIS -6.50 -0.09 1 42 ALA -1.33 1.20 1 43 ARG -8.34 0.52 1 45 VAL 0.58 0.08 1 46 VAL -2.88 -0.01 1 47 SER -2.74 -0.51 1 48 TRP -2.14 -0.16 1 49 PHE -3.57 0.55 1 50 ASP -0.29 0.19 1 51 GLN 0.24 0.45 1 53 THR 2.76 0.38 1 54 ARG -6.71 0.31 1 55 ASP 0.48 0.33 1 56 VAL -5.22 0.71 1 57 ILE -4.56 0.55 1 59 LEU -3.04 0.34 1 60 ARG -1.56 0.46 1 61 ILE -1.47 0.31 1 62 ALA 2.68 -0.21 1 65 ALA -0.95 0.07 1 66 ILE -2.76 0.53 1 67 LEU -4.28 0.38 1 68 TRP -3.05 1.02 1 69 ALA -6.40 0.92 1 70 THR 2.83 0.54 1 72 ASP -0.28 -0.14 1 73 HIS -0.12 -0.95 1 74 LYS 1.00 0.32 1 75 VAL -3.81 0.61 1 76 LEU 3.53 -0.84 1 77 THR -5.58 0.94 1 78 GLU 2.33 -0.79 1 79 TYR -1.27 0.22 1 81 TRP 0.67 0.23 1 82 ARG -5.92 0.44 1 83 ALA 0.52 -0.01 1 84 ALA 4.44 -0.39 1 86 GLU -1.41 0.07 1 87 LEU 0.14 0.07 1 88 ARG -6.07 0.28 1 89 LYS 2.94 -0.65 1 91 ASP 0.62 0.07 1 92 ARG -1.76 0.90 1 93 VAL -4.63 0.70 1 94 ALA -1.20 -0.06 1 95 VAL -7.36 1.19 1 96 ARG -3.00 -0.11 1 97 ASP -1.83 -0.22 1 98 VAL 4.25 -0.63 1 99 GLU 2.05 -0.23 1 100 THR -1.20 -0.03 1 102 GLU -3.85 -0.05 1 103 LEU 0.71 0.37 1 104 ARG -4.49 0.05 1 105 TYR -2.45 0.94 1 106 SER -4.71 0.41 1 107 VAL -1.22 0.28 1 108 ILE 1.64 -0.08 1 109 ARG -0.39 -0.11 1 110 GLU -4.39 -0.07 1 111 VAL -0.34 0.59 1 112 LEU 0.22 0.02 1 114 THR 0.70 0.62 1 115 ARG -3.25 0.36 1 116 ARG -0.83 0.51 1 117 ALA -6.09 0.26 1 118 ARG 2.44 -0.40 1 119 THR -4.58 0.97 1 120 PHE -6.43 0.67 1 122 LEU -6.24 0.48 1 123 GLU -4.49 0.14 1 124 VAL -1.75 -0.08 1 125 GLU 1.07 -0.67 1 126 GLU 4.55 -0.80 1 127 LEU 0.24 -0.11 1 128 HIS 2.58 -0.11 1 129 THR -6.80 0.56 1 130 LEU -2.14 1.20 1 131 VAL 1.03 0.69 1 132 ALA -4.84 0.62 1 133 GLU 3.93 -0.52 1 135 VAL -1.87 0.43 1 136 VAL 4.27 0.13 1 137 VAL -7.86 1.63 1 138 HIS -0.13 -0.29 1 139 ASN 2.91 -0.56 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15560_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.86 _LACS_plot.Line_1_terminator_val_y_1 -2.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 6.11 _LACS_plot.Line_2_terminator_val_y_2 1.03 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 HIS -6.73 1.42 0 19 ILE 6.11 -2.07 0 18 ARG -0.18 3.87 0 12 VAL 4.91 1.60 1 13 THR -0.53 2.02 1 15 THR -0.63 -2.37 1 16 THR 1.51 -1.35 1 20 GLU 3.15 2.08 1 21 ASP 2.66 2.69 1 22 VAL 5.37 1.24 1 23 VAL 5.55 2.78 1 26 ARG 3.22 -1.70 1 29 ILE 0.08 -1.18 1 30 HIS -1.15 -1.58 1 31 VAL -5.86 0.06 1 32 VAL 2.90 -3.16 1 33 ALA -7.65 -2.34 1 34 ALA -5.00 0.10 1 35 ALA -3.46 1.32 1 36 LYS 4.14 0.24 1 37 ASP 0.13 0.74 1 39 THR -1.03 -1.17 1 40 LEU -1.24 -0.37 1 41 HIS -6.50 -0.13 1 42 ALA -1.33 1.88 1 45 VAL 0.58 -0.13 1 46 VAL -2.88 -0.86 1 47 SER -2.74 -3.81 1 48 TRP -2.14 -2.13 1 49 PHE -3.57 -1.36 1 50 ASP -0.29 0.57 1 51 GLN 0.24 0.68 1 53 THR 2.76 -0.02 1 54 ARG -6.71 -2.18 1 55 ASP 0.48 0.30 1 56 VAL -5.22 -2.36 1 57 ILE -4.56 -2.11 1 59 LEU -3.04 -3.72 1 60 ARG -1.56 -1.10 1 61 ILE -1.47 0.09 1 65 ALA -0.95 -2.20 1 66 ILE -2.76 -1.70 1 67 LEU -4.28 -3.07 1 68 TRP -3.05 -1.60 1 69 ALA -6.40 -1.50 1 72 ASP -0.28 -0.41 1 73 HIS -0.12 1.93 1 74 LYS 1.00 -1.35 1 75 VAL -3.81 -2.04 1 76 LEU 3.53 -2.98 1 77 THR -5.58 1.32 1 78 GLU 2.33 -1.74 1 79 TYR -1.27 -0.68 1 81 TRP 0.67 1.18 1 82 ARG -5.92 -1.88 1 83 ALA 0.52 1.22 1 84 ALA 4.44 2.08 1 86 GLU -1.41 0.24 1 87 LEU 0.14 -1.28 1 88 ARG -6.07 -1.11 1 89 LYS 2.94 0.81 1 91 ASP 0.62 -0.84 1 92 ARG -1.76 0.62 1 93 VAL -4.63 -2.49 1 94 ALA -1.20 -2.26 1 95 VAL -7.36 -1.49 1 96 ARG -3.00 -0.61 1 97 ASP -1.83 0.77 1 98 VAL 4.25 0.94 1 99 GLU 2.05 1.80 1 100 THR -1.20 2.12 1 102 GLU -3.85 -1.84 1 103 LEU 0.71 -0.41 1 104 ARG -4.49 -3.46 1 105 TYR -2.45 0.71 1 106 SER -4.71 -1.41 1 107 VAL -1.22 -1.03 1 108 ILE 1.64 0.58 1 109 ARG -0.39 -0.59 1 110 GLU -4.39 -4.22 1 111 VAL -0.34 -0.14 1 114 THR 0.70 -0.17 1 115 ARG -3.25 -3.08 1 116 ARG -0.83 0.06 1 117 ALA -6.09 -1.92 1 118 ARG 2.44 0.20 1 119 THR -4.58 -0.71 1 120 PHE -6.43 -1.24 1 122 LEU -6.24 -2.09 1 123 GLU -4.49 -2.04 1 124 VAL -1.75 -1.05 1 125 GLU 1.07 0.83 1 126 GLU 4.55 0.80 1 128 HIS 2.58 -1.89 1 129 THR -6.80 -4.28 1 130 LEU -2.14 -2.87 1 131 VAL 1.03 -0.27 1 132 ALA -4.84 -2.34 1 133 GLU 3.93 -1.21 1 135 VAL -1.87 -0.85 1 136 VAL 4.27 -2.03 1 137 VAL -7.86 -1.03 1 138 HIS -0.13 1.17 1 stop_ save_