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 bmr16810_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.74 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 6.23 _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 125 HIS 2.88 -0.72 0 51 PHE -5.22 -5.47 0 96 ARG -6.47 -1.41 0 11 ASN 0.62 -1.26 1 12 VAL 2.31 1.23 1 13 GLN 0.85 0.13 1 14 LEU 1.57 0.95 1 15 ALA 0.46 0.60 1 16 ASP -1.07 -0.84 1 17 SER 2.45 1.79 1 18 THR 1.54 1.01 1 19 ARG -1.64 -0.21 1 20 LEU -2.68 -0.24 1 21 VAL -1.71 -1.06 1 22 THR -0.53 -0.50 1 23 ASP -3.03 -3.24 1 24 GLU 1.89 0.99 1 25 ALA -0.44 -1.35 1 27 LEU -2.03 -0.21 1 28 LEU -4.31 -2.29 1 29 SER -2.37 -1.28 1 30 ASN 5.61 4.23 1 31 ALA 3.49 2.69 1 32 GLN 3.58 2.55 1 33 GLU 4.67 4.08 1 34 GLU 3.52 2.88 1 35 VAL 4.67 3.78 1 36 MET 4.23 4.56 1 37 ASN 4.10 3.61 1 39 ARG 4.73 3.47 1 40 LEU 4.93 3.12 1 41 ARG 4.70 4.34 1 42 ALA 4.11 2.69 1 43 ILE 4.34 4.75 1 44 ARG 4.47 4.03 1 45 SER 4.09 3.28 1 46 SER 3.06 2.69 1 47 HIS -2.29 0.89 1 48 ALA 3.73 0.83 1 49 VAL -3.09 -1.22 1 50 GLU -1.05 -1.34 1 52 ALA -5.55 -2.36 1 53 VAL -3.11 -1.22 1 54 VAL -5.40 -2.15 1 55 THR -3.42 -3.99 1 56 LEU -5.97 -2.47 1 58 SER -1.21 -0.40 1 59 ILE -0.06 -0.46 1 61 ASP 0.00 -0.85 1 62 ALA -0.12 0.12 1 64 LEU 3.45 2.84 1 65 GLU 5.58 3.46 1 66 ASP 1.71 2.20 1 67 PHE 3.17 4.18 1 68 THR 7.72 5.26 1 69 LEU 4.33 3.12 1 70 LYS 4.25 3.48 1 71 LEU 3.10 2.23 1 72 ALA 3.54 2.69 1 73 ARG 4.67 3.68 1 74 GLN 4.17 2.83 1 75 TRP -1.32 -1.76 1 77 VAL 1.03 0.47 1 79 ASN 1.05 0.57 1 80 GLU -3.21 -1.68 1 81 LYS 1.87 1.11 1 82 ASN 0.82 0.04 1 83 ASN 2.82 2.97 1 84 ASN -0.79 -1.26 1 86 LEU -4.75 -1.14 1 87 LEU -5.47 -1.76 1 88 LEU -4.34 -1.61 1 89 VAL -3.63 -2.09 1 90 LEU -5.10 -2.05 1 91 VAL -1.27 -1.82 1 92 LEU 2.63 3.45 1 93 ASP 6.07 2.50 1 94 GLN -1.02 0.10 1 95 ARG 4.27 1.02 1 97 VAL -7.63 -4.83 1 98 ARG -4.06 -0.49 1 99 PHE -4.03 -0.97 1 100 GLU -5.36 -2.01 1 101 THR -1.29 -0.97 1 103 TYR 3.31 2.64 1 105 LEU -1.72 -1.13 1 106 GLU 3.69 3.09 1 108 TYR -1.11 0.03 1 109 LEU -2.86 -2.17 1 111 ASP 3.70 3.74 1 113 LEU 2.71 2.52 1 114 LEU 4.96 2.82 1 115 SER 4.71 3.63 1 116 ARG 4.81 3.48 1 117 ILE 6.34 5.36 1 118 ILE 4.81 5.04 1 119 HIS 5.29 5.91 1 120 ASP 1.82 1.60 1 121 ARG -0.75 -1.15 1 122 MET 1.53 2.82 1 123 ILE 1.69 3.14 1 126 PHE 4.28 3.28 1 127 ARG -0.56 -0.40 1 128 SER 0.06 -2.19 1 130 ASN 4.11 4.04 1 131 TYR 4.14 3.36 1 132 ALA 3.12 2.22 1 133 GLU 3.15 3.15 1 135 LEU 4.97 3.65 1 136 SER 2.24 2.25 1 137 GLU 6.05 4.87 1 139 VAL 3.37 2.77 1 140 LEU 2.01 2.37 1 141 ALA 6.36 4.88 1 142 VAL 5.42 4.68 1 143 GLN 4.48 3.16 1 144 GLN 5.20 3.96 1 145 VAL 4.56 2.52 1 146 LEU 3.48 2.50 1 147 ASP 0.93 1.14 1 149 SER 0.88 0.38 1 150 LEU 0.16 0.16 1 151 GLU -0.08 0.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16810_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 4.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -1.49 _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 125 HIS 2.88 -3.60 0 51 PHE -5.22 -0.25 0 96 ARG -6.47 5.06 0 11 ASN 0.62 -1.88 1 12 VAL 2.31 -1.08 1 13 GLN 0.85 -0.72 1 14 LEU 1.57 -0.62 1 15 ALA 0.46 0.14 1 16 ASP -1.07 0.23 1 17 SER 2.45 -0.66 1 18 THR 1.54 -0.53 1 19 ARG -1.64 1.43 1 20 LEU -2.68 2.44 1 21 VAL -1.71 0.65 1 22 THR -0.53 0.03 1 23 ASP -3.03 -0.21 1 24 GLU 1.89 -0.90 1 25 ALA -0.44 -0.91 1 27 LEU -2.03 1.82 1 28 LEU -4.31 2.02 1 29 SER -2.37 1.09 1 30 ASN 5.61 -1.38 1 31 ALA 3.49 -0.80 1 32 GLN 3.58 -1.03 1 33 GLU 4.67 -0.59 1 34 GLU 3.52 -0.64 1 35 VAL 4.67 -0.89 1 36 MET 4.23 0.33 1 37 ASN 4.10 -0.49 1 39 ARG 4.73 -1.26 1 40 LEU 4.93 -1.81 1 41 ARG 4.70 -0.36 1 42 ALA 4.11 -1.42 1 43 ILE 4.34 0.41 1 44 ARG 4.47 -0.44 1 45 SER 4.09 -0.81 1 46 SER 3.06 -0.37 1 47 HIS -2.29 3.18 1 48 ALA 3.73 -2.90 1 49 VAL -3.09 1.87 1 50 GLU -1.05 -0.29 1 52 ALA -5.55 3.19 1 53 VAL -3.11 1.89 1 54 VAL -5.40 3.25 1 55 THR -3.42 -0.57 1 56 LEU -5.97 3.50 1 58 SER -1.21 0.81 1 59 ILE -0.06 -0.40 1 61 ASP 0.00 -0.85 1 62 ALA -0.12 0.24 1 64 LEU 3.45 -0.61 1 65 GLU 5.58 -2.12 1 66 ASP 1.71 0.49 1 67 PHE 3.17 1.01 1 68 THR 7.72 -2.46 1 69 LEU 4.33 -1.21 1 70 LYS 4.25 -0.77 1 71 LEU 3.10 -0.87 1 72 ALA 3.54 -0.85 1 73 ARG 4.67 -0.99 1 74 GLN 4.17 -1.34 1 75 TRP -1.32 -0.44 1 77 VAL 1.03 -0.56 1 79 ASN 1.05 -0.48 1 80 GLU -3.21 1.53 1 81 LYS 1.87 -0.76 1 82 ASN 0.82 -0.78 1 83 ASN 2.82 0.15 1 84 ASN -0.79 -0.47 1 86 LEU -4.75 3.61 1 87 LEU -5.47 3.71 1 88 LEU -4.34 2.73 1 89 VAL -3.63 1.54 1 90 LEU -5.10 3.05 1 91 VAL -1.27 -0.55 1 92 LEU 2.63 0.82 1 93 ASP 6.07 -3.57 1 94 GLN -1.02 1.12 1 95 ARG 4.27 -3.25 1 97 VAL -7.63 2.80 1 98 ARG -4.06 3.57 1 99 PHE -4.03 3.06 1 100 GLU -5.36 3.35 1 101 THR -1.29 0.32 1 103 TYR 3.31 -0.67 1 105 LEU -1.72 0.59 1 106 GLU 3.69 -0.60 1 108 TYR -1.11 1.14 1 109 LEU -2.86 0.69 1 111 ASP 3.70 0.04 1 113 LEU 2.71 -0.19 1 114 LEU 4.96 -2.14 1 115 SER 4.71 -1.08 1 116 ARG 4.81 -1.33 1 117 ILE 6.34 -0.98 1 118 ILE 4.81 0.23 1 119 HIS 5.29 0.62 1 120 ASP 1.82 -0.22 1 121 ARG -0.75 -0.40 1 122 MET 1.53 1.29 1 123 ILE 1.69 1.45 1 126 PHE 4.28 -1.00 1 127 ARG -0.56 0.16 1 128 SER 0.06 -2.25 1 130 ASN 4.11 -0.07 1 131 TYR 4.14 -0.78 1 132 ALA 3.12 -0.90 1 133 GLU 3.15 0.00 1 135 LEU 4.97 -1.32 1 136 SER 2.24 0.01 1 137 GLU 6.05 -1.18 1 139 VAL 3.37 -0.60 1 140 LEU 2.01 0.36 1 141 ALA 6.36 -1.48 1 142 VAL 5.42 -0.74 1 143 GLN 4.48 -1.32 1 144 GLN 5.20 -1.24 1 145 VAL 4.56 -2.04 1 146 LEU 3.48 -0.98 1 147 ASP 0.93 0.21 1 149 SER 0.88 -0.50 1 150 LEU 0.16 0.00 1 151 GLU -0.08 0.90 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16810_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.63 _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 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _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 51 PHE -5.22 1.55 0 56 LEU -5.97 -0.13 0 11 ASN 0.62 -0.47 1 12 VAL 2.31 -0.30 1 13 GLN 0.85 0.16 1 14 LEU 1.57 -0.37 1 15 ALA 0.46 -0.07 1 16 ASP -1.07 -0.07 1 17 SER 2.45 -0.13 1 18 THR 1.54 -0.13 1 19 ARG -1.64 0.01 1 20 LEU -2.68 0.15 1 21 VAL -1.71 0.76 1 22 THR -0.53 0.17 1 23 ASP -3.03 1.01 1 24 GLU 1.89 -0.12 1 25 ALA -0.44 -0.14 1 27 LEU -2.03 -0.04 1 28 LEU -4.31 0.60 1 29 SER -2.37 0.04 1 30 ASN 5.61 -0.39 1 31 ALA 3.49 -0.13 1 32 GLN 3.58 -0.36 1 33 GLU 4.67 -0.59 1 34 GLU 3.52 -0.05 1 35 VAL 4.67 -0.36 1 36 MET 4.23 -0.54 1 37 ASN 4.10 -0.15 1 39 ARG 4.73 -0.14 1 40 LEU 4.93 -0.26 1 41 ARG 4.70 -0.38 1 42 ALA 4.11 -0.03 1 43 ILE 4.34 -0.27 1 44 ARG 4.47 0.05 1 45 SER 4.09 -0.24 1 46 SER 3.06 -0.23 1 47 HIS -2.29 0.25 1 48 ALA 3.73 -0.04 1 49 VAL -3.09 0.29 1 50 GLU -1.05 -0.03 1 52 ALA -5.55 0.92 1 53 VAL -3.11 0.76 1 54 VAL -5.40 0.99 1 55 THR -3.42 0.89 1 58 SER -1.21 -0.04 1 59 ILE -0.06 0.77 1 61 ASP 0.00 -0.01 1 62 ALA -0.12 -0.05 1 64 LEU 3.45 -0.45 1 65 GLU 5.58 -0.41 1 66 ASP 1.71 -0.13 1 67 PHE 3.17 -0.78 1 68 THR 7.72 -0.75 1 69 LEU 4.33 -0.40 1 70 LYS 4.25 -0.59 1 71 LEU 3.10 -0.92 1 72 ALA 3.54 -0.57 1 73 ARG 4.67 -0.61 1 74 GLN 4.17 -0.30 1 75 TRP -1.32 0.23 1 77 VAL 1.03 0.03 1 79 ASN 1.05 -0.22 1 80 GLU -3.21 0.20 1 81 LYS 1.87 -0.35 1 82 ASN 0.82 0.01 1 83 ASN 2.82 -0.20 1 84 ASN -0.79 0.12 1 86 LEU -4.75 0.58 1 87 LEU -5.47 1.29 1 88 LEU -4.34 0.53 1 89 VAL -3.63 0.91 1 90 LEU -5.10 0.65 1 91 VAL -1.27 0.33 1 92 LEU 2.63 -0.78 1 93 ASP 6.07 -0.44 1 94 GLN -1.02 -0.01 1 95 ARG 4.27 -0.96 1 96 ARG -6.47 0.56 1 97 VAL -7.63 1.51 1 98 ARG -4.06 0.10 1 99 PHE -4.03 1.15 1 100 GLU -5.36 0.30 1 101 THR -1.29 0.28 1 103 TYR 3.31 -0.17 1 105 LEU -1.72 0.17 1 106 GLU 3.69 -0.63 1 108 TYR -1.11 -0.01 1 109 LEU -2.86 -0.08 1 111 ASP 3.70 -0.40 1 113 LEU 2.71 -0.11 1 114 LEU 4.96 -0.66 1 115 SER 4.71 -0.21 1 116 ARG 4.81 -0.18 1 117 ILE 6.34 -0.58 1 118 ILE 4.81 -0.51 1 119 HIS 5.29 -0.65 1 120 ASP 1.82 -0.05 1 121 ARG -0.75 0.38 1 122 MET 1.53 -0.13 1 123 ILE 1.69 -0.30 1 125 HIS 2.88 -0.88 1 126 PHE 4.28 -0.26 1 127 ARG -0.56 0.16 1 128 SER 0.06 0.35 1 130 ASN 4.11 -0.47 1 131 TYR 4.14 -0.57 1 132 ALA 3.12 -0.40 1 133 GLU 3.15 -0.21 1 135 LEU 4.97 -0.57 1 136 SER 2.24 -0.28 1 137 GLU 6.05 -0.31 1 139 VAL 3.37 -0.31 1 140 LEU 2.01 -0.12 1 141 ALA 6.36 -0.83 1 142 VAL 5.42 -0.71 1 143 GLN 4.48 -0.23 1 144 GLN 5.20 -0.41 1 145 VAL 4.56 -0.68 1 146 LEU 3.48 -0.12 1 147 ASP 0.93 0.03 1 149 SER 0.88 -0.08 1 150 LEU 0.16 -0.19 1 151 GLU -0.08 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16810_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 -3.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 3.34 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 ARG 4.27 -2.05 0 109 LEU -2.86 -5.32 0 12 VAL 2.31 -0.52 1 13 GLN 0.85 0.70 1 15 ALA 0.46 0.17 1 16 ASP -1.07 -0.58 1 17 SER 2.45 1.08 1 18 THR 1.54 -0.80 1 19 ARG -1.64 -1.89 1 21 VAL -1.71 -0.50 1 22 THR -0.53 -1.38 1 23 ASP -3.03 1.82 1 24 GLU 1.89 1.52 1 25 ALA -0.44 -1.93 1 27 LEU -2.03 -0.90 1 28 LEU -4.31 -0.66 1 29 SER -2.37 -0.35 1 30 ASN 5.61 2.69 1 31 ALA 3.49 2.78 1 32 GLN 3.58 4.34 1 33 GLU 4.67 0.90 1 34 GLU 3.52 3.82 1 35 VAL 4.67 2.88 1 36 MET 4.23 1.67 1 37 ASN 4.10 3.03 1 39 ARG 4.73 2.05 1 40 LEU 4.93 3.80 1 41 ARG 4.70 2.75 1 42 ALA 4.11 2.97 1 43 ILE 4.34 1.59 1 44 ARG 4.47 3.35 1 45 SER 4.09 1.72 1 46 SER 3.06 0.77 1 47 HIS -2.29 0.04 1 48 ALA 3.73 -2.08 1 49 VAL -3.09 -1.57 1 50 GLU -1.05 -3.74 1 51 PHE -5.22 -3.91 1 52 ALA -5.55 -1.78 1 53 VAL -3.11 -2.22 1 54 VAL -5.40 -1.24 1 55 THR -3.42 -2.08 1 56 LEU -5.97 -1.36 1 58 SER -1.21 -0.34 1 59 ILE -0.06 0.36 1 61 ASP 0.00 -0.58 1 62 ALA -0.12 -1.07 1 64 LEU 3.45 -0.09 1 65 GLU 5.58 1.64 1 66 ASP 1.71 0.85 1 67 PHE 3.17 1.49 1 68 THR 7.72 1.55 1 69 LEU 4.33 0.41 1 70 LYS 4.25 2.91 1 71 LEU 3.10 -1.25 1 72 ALA 3.54 2.90 1 73 ARG 4.67 2.60 1 74 GLN 4.17 2.23 1 75 TRP -1.32 0.49 1 77 VAL 1.03 1.34 1 80 GLU -3.21 -0.58 1 81 LYS 1.87 0.11 1 84 ASN -0.79 -1.06 1 86 LEU -4.75 -4.40 1 87 LEU -5.47 -3.14 1 88 LEU -4.34 -3.94 1 89 VAL -3.63 -2.84 1 90 LEU -5.10 -3.16 1 91 VAL -1.27 -0.16 1 92 LEU 2.63 1.10 1 93 ASP 6.07 1.36 1 94 GLN -1.02 -1.38 1 96 ARG -6.47 -2.52 1 97 VAL -7.63 -2.39 1 98 ARG -4.06 -2.52 1 99 PHE -4.03 -0.49 1 100 GLU -5.36 -0.50 1 101 THR -1.29 0.85 1 103 TYR 3.31 2.12 1 105 LEU -1.72 0.02 1 106 GLU 3.69 0.34 1 108 TYR -1.11 -0.84 1 111 ASP 3.70 2.51 1 113 LEU 2.71 1.22 1 114 LEU 4.96 1.42 1 115 SER 4.71 2.46 1 116 ARG 4.81 1.81 1 117 ILE 6.34 2.78 1 118 ILE 4.81 1.74 1 119 HIS 5.29 1.91 1 120 ASP 1.82 1.68 1 121 ARG -0.75 -0.29 1 122 MET 1.53 -0.20 1 123 ILE 1.69 3.93 1 125 HIS 2.88 3.89 1 126 PHE 4.28 1.08 1 127 ARG -0.56 -0.35 1 128 SER 0.06 0.57 1 130 ASN 4.11 2.10 1 131 TYR 4.14 2.31 1 132 ALA 3.12 2.21 1 133 GLU 3.15 0.18 1 135 LEU 4.97 2.34 1 136 SER 2.24 2.56 1 137 GLU 6.05 1.46 1 139 VAL 3.37 0.89 1 140 LEU 2.01 2.91 1 141 ALA 6.36 1.10 1 142 VAL 5.42 1.39 1 143 GLN 4.48 4.10 1 144 GLN 5.20 3.24 1 145 VAL 4.56 1.33 1 146 LEU 3.48 2.04 1 147 ASP 0.93 0.10 1 149 SER 0.88 -0.31 1 150 LEU 0.16 -0.20 1 151 GLU -0.08 0.85 1 stop_ save_