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 bmr10089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.98 _LACS_plot.Line_1_terminator_val_y_1 -2.71 _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 -1.15 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 5.21 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 ALA 0.50 4.85 0 155 SER -2.40 3.53 0 10 ARG 0.49 0.30 1 12 HIS 1.45 1.72 1 13 GLN 2.15 1.81 1 14 TRP 1.37 -0.08 1 15 GLN 4.37 3.47 1 16 THR 4.37 3.15 1 17 ASP 4.46 3.10 1 18 GLU 4.48 3.80 1 19 GLU 2.84 2.27 1 21 VAL 4.30 3.30 1 22 ARG 3.70 3.49 1 23 THR -1.21 -0.23 1 25 LYS -1.79 -1.16 1 27 SER -3.90 -2.52 1 28 PHE -5.27 -1.26 1 30 VAL -7.98 -2.54 1 31 LYS -1.09 -1.03 1 32 TYR -1.38 -1.66 1 33 LEU 0.80 0.72 1 35 HIS -5.06 -2.71 1 36 VAL -6.19 -2.85 1 37 GLU 0.56 0.49 1 38 VAL -6.18 -2.89 1 39 ASP -0.03 1.32 1 40 GLU -7.34 -2.55 1 41 SER 0.66 -0.01 1 42 ARG -3.45 -1.91 1 44 MET 5.00 4.83 1 45 HIS 4.20 3.53 1 46 ILE 3.83 0.65 1 48 GLU 2.28 2.11 1 49 ASP 2.47 2.80 1 50 ALA 3.45 3.66 1 51 VAL 5.79 4.90 1 52 LYS 4.69 4.24 1 53 ARG 4.04 3.62 1 54 LEU 3.23 2.59 1 55 LYS 4.04 2.90 1 56 ALA 1.57 1.34 1 57 THR 0.78 1.50 1 59 LYS 0.38 0.03 1 60 LYS 0.70 0.27 1 61 ALA -2.46 -0.89 1 62 VAL -2.70 -0.70 1 63 LYS 2.95 1.74 1 64 ALA -6.75 -1.07 1 65 VAL -1.91 -0.02 1 66 LEU -4.18 -1.71 1 67 TRP -2.90 -2.49 1 68 VAL -1.19 -0.40 1 69 SER -5.11 -1.69 1 70 ALA 1.89 1.65 1 71 ASP -0.82 0.21 1 73 LEU -3.54 -2.30 1 74 ARG -4.58 -1.14 1 75 VAL -0.96 -1.15 1 76 VAL -3.84 -1.81 1 77 ASP -1.00 1.76 1 78 GLU 2.22 2.94 1 79 LYS 2.06 2.25 1 80 THR -0.49 0.49 1 81 LYS 5.61 1.45 1 82 ASP 0.14 0.63 1 83 LEU 0.80 0.24 1 84 ILE 2.01 2.44 1 85 VAL -3.65 -0.32 1 86 ASP -2.20 -0.95 1 87 GLN -5.34 -1.91 1 88 THR 1.06 0.18 1 89 ILE 0.86 0.37 1 90 GLU 3.25 2.46 1 91 LYS -0.76 -0.49 1 92 VAL 2.59 1.44 1 93 SER 0.41 1.13 1 94 PHE -3.91 0.64 1 98 ASP -6.01 0.39 1 99 ARG 2.61 2.11 1 100 ASN 0.60 1.33 1 101 PHE -1.90 -1.21 1 102 ASP 3.52 2.92 1 103 ARG 0.82 0.46 1 104 ALA -2.28 -0.31 1 105 PHE -5.09 -0.48 1 106 SER -4.83 -0.86 1 107 TYR -4.87 -1.45 1 108 ILE -3.26 -1.30 1 110 ARG -1.73 -0.95 1 111 ASP -1.75 -0.43 1 113 THR 2.85 2.06 1 114 THR -0.70 -0.04 1 115 ARG 3.95 0.86 1 116 ARG -2.25 -1.02 1 117 TRP -1.89 -0.70 1 118 ILE -3.75 -2.26 1 120 HIS -4.44 0.63 1 122 PHE -5.20 -0.96 1 123 MET -3.33 -1.92 1 124 ALA 0.83 0.71 1 125 VAL 2.78 3.17 1 126 LYS -1.65 -0.70 1 127 ASP -5.98 -0.86 1 128 THR -3.15 -2.00 1 130 GLU 3.18 2.67 1 131 ARG 5.07 3.58 1 132 LEU 6.88 4.13 1 133 SER 4.01 3.22 1 134 HIS 5.76 4.32 1 135 ALA 5.37 3.63 1 136 VAL 6.94 4.77 1 139 ALA 4.55 3.18 1 140 PHE 3.70 2.88 1 141 ALA 3.69 2.62 1 142 ALA 3.25 2.26 1 144 LEU 3.59 2.73 1 145 GLU 2.42 2.27 1 146 ARG 2.93 2.48 1 147 LYS 2.17 1.74 1 148 GLN 1.35 1.00 1 149 LYS 0.99 0.64 1 150 ARG 0.27 0.23 1 151 SER -0.14 0.17 1 154 SER -5.67 0.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.98 _LACS_plot.Line_1_terminator_val_y_1 5.27 _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 0.85 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 ALA 0.50 4.35 0 155 SER -2.40 5.93 0 10 ARG 0.49 -0.19 1 12 HIS 1.45 0.27 1 13 GLN 2.15 -0.34 1 14 TRP 1.37 -1.45 1 15 GLN 4.37 -0.90 1 16 THR 4.37 -1.22 1 17 ASP 4.46 -1.36 1 18 GLU 4.48 -0.68 1 19 GLU 2.84 -0.57 1 21 VAL 4.30 -1.00 1 22 ARG 3.70 -0.21 1 23 THR -1.21 0.98 1 25 LYS -1.79 0.63 1 27 SER -3.90 1.38 1 28 PHE -5.27 4.01 1 30 VAL -7.98 5.44 1 31 LYS -1.09 0.06 1 32 TYR -1.38 -0.28 1 33 LEU 0.80 -0.08 1 35 HIS -5.06 2.35 1 36 VAL -6.19 3.34 1 37 GLU 0.56 -0.07 1 38 VAL -6.18 3.29 1 39 ASP -0.03 1.35 1 40 GLU -7.34 4.79 1 41 SER 0.66 -0.67 1 42 ARG -3.45 1.54 1 44 MET 5.00 -0.17 1 45 HIS 4.20 -0.67 1 46 ILE 3.83 -3.18 1 48 GLU 2.28 -0.17 1 49 ASP 2.47 0.33 1 50 ALA 3.45 0.21 1 51 VAL 5.79 -0.89 1 52 LYS 4.69 -0.45 1 53 ARG 4.04 -0.42 1 54 LEU 3.23 -0.64 1 55 LYS 4.04 -1.14 1 56 ALA 1.57 -0.23 1 57 THR 0.78 0.72 1 59 LYS 0.38 -0.35 1 60 LYS 0.70 -0.43 1 61 ALA -2.46 1.57 1 62 VAL -2.70 2.00 1 63 LYS 2.95 -1.21 1 64 ALA -6.75 5.68 1 65 VAL -1.91 1.89 1 66 LEU -4.18 2.47 1 67 TRP -2.90 0.41 1 68 VAL -1.19 0.79 1 69 SER -5.11 3.42 1 70 ALA 1.89 -0.24 1 71 ASP -0.82 1.03 1 73 LEU -3.54 1.24 1 74 ARG -4.58 3.44 1 75 VAL -0.96 -0.19 1 76 VAL -3.84 2.03 1 77 ASP -1.00 2.76 1 78 GLU 2.22 0.72 1 79 LYS 2.06 0.19 1 80 THR -0.49 0.98 1 81 LYS 5.61 -4.16 1 82 ASP 0.14 0.49 1 83 LEU 0.80 -0.56 1 84 ILE 2.01 0.43 1 85 VAL -3.65 3.33 1 86 ASP -2.20 1.25 1 87 GLN -5.34 3.43 1 88 THR 1.06 -0.88 1 89 ILE 0.86 -0.49 1 90 GLU 3.25 -0.79 1 91 LYS -0.76 0.27 1 92 VAL 2.59 -1.15 1 93 SER 0.41 0.72 1 94 PHE -3.91 4.55 1 98 ASP -6.01 6.40 1 99 ARG 2.61 -0.50 1 100 ASN 0.60 0.73 1 101 PHE -1.90 0.69 1 102 ASP 3.52 -0.60 1 103 ARG 0.82 -0.36 1 104 ALA -2.28 1.97 1 105 PHE -5.09 4.61 1 106 SER -4.83 3.97 1 107 TYR -4.87 3.42 1 108 ILE -3.26 1.96 1 110 ARG -1.73 0.78 1 111 ASP -1.75 1.32 1 113 THR 2.85 -0.79 1 114 THR -0.70 0.66 1 115 ARG 3.95 -3.09 1 116 ARG -2.25 1.23 1 117 TRP -1.89 1.19 1 118 ILE -3.75 1.49 1 120 HIS -4.44 5.07 1 122 PHE -5.20 4.24 1 123 MET -3.33 1.41 1 124 ALA 0.83 -0.12 1 125 VAL 2.78 0.39 1 126 LYS -1.65 0.95 1 127 ASP -5.98 5.12 1 128 THR -3.15 1.15 1 130 GLU 3.18 -0.51 1 131 ARG 5.07 -1.49 1 132 LEU 6.88 -2.75 1 133 SER 4.01 -0.79 1 134 HIS 5.76 -1.44 1 135 ALA 5.37 -1.74 1 136 VAL 6.94 -2.17 1 139 ALA 4.55 -1.37 1 140 PHE 3.70 -0.82 1 141 ALA 3.69 -1.07 1 142 ALA 3.25 -0.99 1 144 LEU 3.59 -0.86 1 145 GLU 2.42 -0.15 1 146 ARG 2.93 -0.45 1 147 LYS 2.17 -0.43 1 148 GLN 1.35 -0.35 1 149 LYS 0.99 -0.35 1 150 ARG 0.27 -0.04 1 151 SER -0.14 0.31 1 154 SER -5.67 6.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.98 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _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 6.93 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _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 41 SER 0.66 -1.64 0 10 ARG 0.49 -0.17 1 12 HIS 1.45 -0.33 1 13 GLN 2.15 -0.27 1 14 TRP 1.37 0.15 1 15 GLN 4.37 -0.13 1 16 THR 4.37 -0.15 1 17 ASP 4.46 -0.17 1 18 GLU 4.48 -0.46 1 19 GLU 2.84 -0.18 1 21 VAL 4.30 -0.01 1 22 ARG 3.70 -0.32 1 23 THR -1.21 0.14 1 25 LYS -1.79 0.42 1 27 SER -3.90 0.44 1 28 PHE -5.27 0.13 1 30 VAL -7.98 1.17 1 31 LYS -1.09 0.66 1 32 TYR -1.38 0.29 1 33 LEU 0.80 -0.42 1 35 HIS -5.06 1.11 1 36 VAL -6.19 0.34 1 37 GLU 0.56 0.53 1 38 VAL -6.18 0.71 1 39 ASP -0.03 0.19 1 40 GLU -7.34 -0.07 1 42 ARG -3.45 -0.75 1 44 MET 5.00 -0.41 1 45 HIS 4.20 -0.26 1 46 ILE 3.83 -0.49 1 48 GLU 2.28 -0.17 1 49 ASP 2.47 -0.21 1 50 ALA 3.45 -0.49 1 51 VAL 5.79 -0.85 1 52 LYS 4.69 -0.53 1 53 ARG 4.04 -0.33 1 54 LEU 3.23 -0.36 1 55 LYS 4.04 -0.38 1 56 ALA 1.57 -0.05 1 57 THR 0.78 -0.10 1 59 LYS 0.38 -0.12 1 60 LYS 0.70 -0.13 1 61 ALA -2.46 0.05 1 62 VAL -2.70 0.23 1 63 LYS 2.95 0.20 1 64 ALA -6.75 1.08 1 65 VAL -1.91 0.38 1 66 LEU -4.18 0.78 1 67 TRP -2.90 -0.01 1 68 VAL -1.19 0.28 1 69 SER -5.11 0.90 1 70 ALA 1.89 -0.25 1 71 ASP -0.82 0.10 1 73 LEU -3.54 1.07 1 74 ARG -4.58 0.84 1 75 VAL -0.96 0.96 1 76 VAL -3.84 0.68 1 77 ASP -1.00 -0.27 1 78 GLU 2.22 -0.29 1 79 LYS 2.06 -0.02 1 80 THR -0.49 -0.09 1 81 LYS 5.61 -0.27 1 82 ASP 0.14 -0.12 1 83 LEU 0.80 0.03 1 84 ILE 2.01 -0.08 1 85 VAL -3.65 0.04 1 86 ASP -2.20 0.35 1 87 GLN -5.34 0.24 1 88 THR 1.06 0.30 1 89 ILE 0.86 -0.25 1 90 GLU 3.25 -0.17 1 91 LYS -0.76 0.22 1 92 VAL 2.59 0.26 1 93 SER 0.41 0.07 1 94 PHE -3.91 0.23 1 96 ALA 0.50 0.13 1 98 ASP -6.01 0.15 1 99 ARG 2.61 -0.21 1 100 ASN 0.60 -0.24 1 101 PHE -1.90 0.28 1 102 ASP 3.52 -0.04 1 103 ARG 0.82 0.22 1 104 ALA -2.28 1.27 1 105 PHE -5.09 0.43 1 106 SER -4.83 1.15 1 107 TYR -4.87 0.86 1 108 ILE -3.26 1.27 1 110 ARG -1.73 0.09 1 111 ASP -1.75 0.04 1 113 THR 2.85 -0.06 1 114 THR -0.70 -0.01 1 115 ARG 3.95 -0.51 1 116 ARG -2.25 -0.10 1 117 TRP -1.89 0.49 1 118 ILE -3.75 0.57 1 120 HIS -4.44 0.13 1 122 PHE -5.20 0.72 1 123 MET -3.33 0.64 1 124 ALA 0.83 0.15 1 125 VAL 2.78 -0.22 1 126 LYS -1.65 0.32 1 127 ASP -5.98 0.50 1 128 THR -3.15 0.26 1 130 GLU 3.18 -0.37 1 131 ARG 5.07 -1.49 1 132 LEU 6.88 -1.57 1 133 SER 4.01 -0.64 1 134 HIS 5.76 -0.53 1 135 ALA 5.37 -0.61 1 136 VAL 6.94 -0.88 1 139 ALA 4.55 -0.56 1 140 PHE 3.70 -0.45 1 141 ALA 3.69 -0.20 1 142 ALA 3.25 -0.14 1 144 LEU 3.59 -0.28 1 145 GLU 2.42 -0.27 1 146 ARG 2.93 -0.17 1 147 LYS 2.17 -0.12 1 148 GLN 1.35 -0.10 1 149 LYS 0.99 -0.03 1 150 ARG 0.27 0.07 1 151 SER -0.14 0.07 1 155 SER -2.40 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10089_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.98 _LACS_plot.Line_1_terminator_val_y_1 -2.81 _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 -0.68 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 2.63 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 LEU 6.88 -0.54 0 81 LYS 5.61 -1.37 0 10 ARG 0.49 -0.51 1 12 HIS 1.45 1.80 1 13 GLN 2.15 0.40 1 14 TRP 1.37 1.87 1 15 GLN 4.37 2.57 1 16 THR 4.37 2.50 1 17 ASP 4.46 0.98 1 18 GLU 4.48 1.97 1 19 GLU 2.84 3.14 1 21 VAL 4.30 2.08 1 22 ARG 3.70 1.95 1 23 THR -1.21 0.87 1 25 LYS -1.79 -1.32 1 27 SER -3.90 -2.21 1 28 PHE -5.27 -0.80 1 30 VAL -7.98 -1.77 1 31 LYS -1.09 -0.46 1 32 TYR -1.38 -0.67 1 33 LEU 0.80 -2.34 1 35 HIS -5.06 -0.77 1 36 VAL -6.19 -2.19 1 37 GLU 0.56 -0.14 1 38 VAL -6.18 -0.39 1 39 ASP -0.03 -0.38 1 40 GLU -7.34 -3.27 1 41 SER 0.66 -1.38 1 42 ARG -3.45 -3.23 1 45 HIS 4.20 2.87 1 46 ILE 3.83 2.51 1 48 GLU 2.28 3.76 1 49 ASP 2.47 1.29 1 50 ALA 3.45 0.54 1 51 VAL 5.79 2.08 1 52 LYS 4.69 3.34 1 53 ARG 4.04 3.69 1 54 LEU 3.23 3.22 1 55 LYS 4.04 1.89 1 56 ALA 1.57 1.20 1 57 THR 0.78 1.68 1 59 LYS 0.38 0.28 1 60 LYS 0.70 -0.26 1 61 ALA -2.46 -0.75 1 62 VAL -2.70 0.07 1 63 LYS 2.95 -0.46 1 64 ALA -6.75 -2.71 1 65 VAL -1.91 -1.85 1 66 LEU -4.18 -3.29 1 67 TRP -2.90 0.00 1 68 VAL -1.19 -2.57 1 69 SER -5.11 -1.18 1 70 ALA 1.89 -1.21 1 71 ASP -0.82 0.81 1 73 LEU -3.54 -1.89 1 74 ARG -4.58 -1.54 1 75 VAL -0.96 -1.54 1 76 VAL -3.84 -0.52 1 77 ASP -1.00 1.32 1 78 GLU 2.22 -0.05 1 79 LYS 2.06 2.14 1 80 THR -0.49 1.44 1 82 ASP 0.14 -0.61 1 83 LEU 0.80 -1.06 1 84 ILE 2.01 0.14 1 85 VAL -3.65 -3.06 1 86 ASP -2.20 -2.05 1 87 GLN -5.34 -0.57 1 88 THR 1.06 2.66 1 89 ILE 0.86 0.57 1 90 GLU 3.25 0.62 1 91 LYS -0.76 -0.19 1 92 VAL 2.59 -1.23 1 93 SER 0.41 1.62 1 94 PHE -3.91 -2.74 1 98 ASP -6.01 0.58 1 99 ARG 2.61 0.28 1 100 ASN 0.60 0.11 1 101 PHE -1.90 0.22 1 102 ASP 3.52 -1.17 1 103 ARG 0.82 -0.41 1 104 ALA -2.28 -0.65 1 105 PHE -5.09 -3.70 1 106 SER -4.83 -2.56 1 107 TYR -4.87 -4.19 1 108 ILE -3.26 -1.07 1 110 ARG -1.73 -0.13 1 111 ASP -1.75 0.60 1 113 THR 2.85 1.04 1 114 THR -0.70 -0.15 1 115 ARG 3.95 -1.35 1 116 ARG -2.25 -1.75 1 117 TRP -1.89 -0.99 1 118 ILE -3.75 -2.75 1 120 HIS -4.44 1.43 1 122 PHE -5.20 -0.88 1 123 MET -3.33 -0.34 1 124 ALA 0.83 -1.11 1 125 VAL 2.78 0.36 1 126 LYS -1.65 -1.98 1 127 ASP -5.98 -2.68 1 128 THR -3.15 1.29 1 130 GLU 3.18 1.14 1 131 ARG 5.07 2.53 1 133 SER 4.01 3.41 1 134 HIS 5.76 2.92 1 135 ALA 5.37 1.01 1 136 VAL 6.94 1.54 1 139 ALA 4.55 1.20 1 140 PHE 3.70 2.64 1 142 ALA 3.25 2.04 1 144 LEU 3.59 1.87 1 145 GLU 2.42 2.03 1 146 ARG 2.93 1.75 1 147 LYS 2.17 1.21 1 148 GLN 1.35 0.69 1 149 LYS 0.99 0.23 1 150 ARG 0.27 0.11 1 151 SER -0.14 -0.05 1 154 SER -5.67 0.37 1 155 SER -2.40 -0.02 1 stop_ save_