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 bmr17077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 -3.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.40 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 5.95 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 GLU -0.19 -2.53 0 52 MET 3.31 -0.37 0 79 VAL -4.23 -4.68 0 10 VAL -4.31 -2.21 1 14 ASN -8.00 -3.63 1 19 GLN 3.48 5.08 1 20 MET 5.60 3.66 1 21 ALA 4.49 3.59 1 22 GLU 5.36 4.98 1 24 PHE 3.29 3.66 1 25 ALA 3.65 3.05 1 26 LYS 4.01 3.82 1 27 THR 2.44 1.83 1 28 LEU 2.75 1.78 1 30 ALA -1.12 1.33 1 32 LYS -5.85 -2.06 1 33 ILE -3.54 -1.76 1 34 ALA -2.84 -0.67 1 35 VAL -2.74 -0.33 1 36 THR -3.32 -1.02 1 37 SER -3.37 -0.75 1 38 SER 2.08 1.64 1 40 LEU -4.32 -1.68 1 41 GLU 0.30 0.44 1 42 SER -1.91 -0.46 1 43 SER -1.87 -0.97 1 44 ARG 1.49 0.52 1 45 VAL -0.57 2.98 1 46 HIS 6.54 4.52 1 48 THR 5.09 3.53 1 49 ALA 5.23 4.47 1 50 ILE 3.74 2.74 1 51 ALA -0.77 1.13 1 53 MET 4.00 3.33 1 54 GLU 2.27 2.72 1 56 VAL -2.77 -0.45 1 58 ILE -1.61 -1.73 1 59 ASP 0.75 -0.08 1 60 ILE 4.17 3.48 1 61 SER 0.94 0.85 1 63 GLN -2.62 -1.08 1 64 THR -1.76 -1.42 1 65 SER -0.76 0.79 1 66 ASP 3.12 3.24 1 68 ILE 3.17 1.92 1 69 GLU 1.93 0.68 1 70 ASN -3.31 -0.36 1 71 PHE -2.57 -1.70 1 72 ASN 3.46 2.23 1 73 ALA 1.76 1.05 1 74 ASP 1.28 0.94 1 75 ASP -0.06 1.48 1 76 TYR -1.86 1.89 1 77 ASP -4.53 -1.84 1 78 VAL -3.59 -1.12 1 80 ILE -2.20 -1.62 1 81 SER -1.84 0.70 1 82 LEU 0.64 0.56 1 85 SER 1.40 0.52 1 87 VAL 0.43 0.00 1 88 ASN -0.14 -0.20 1 89 LEU 4.69 2.40 1 92 GLU 1.57 2.16 1 93 TRP 0.06 -1.70 1 94 VAL 0.47 -0.57 1 95 THR 1.40 -1.16 1 96 GLN 4.55 4.07 1 97 GLU -3.14 -0.60 1 98 ILE -2.92 -0.32 1 99 PHE -6.53 -1.74 1 100 GLU -4.06 -2.07 1 101 ASP -4.13 -3.05 1 102 TRP 1.97 0.42 1 103 GLN -4.36 -1.51 1 104 LEU -0.40 -0.22 1 105 GLU -2.36 -1.46 1 106 ASP 4.26 2.79 1 108 ASP -1.67 -1.28 1 110 GLN -1.59 -0.20 1 111 SER 4.40 3.05 1 112 LEU 4.35 3.57 1 113 GLU 6.39 4.49 1 114 VAL 4.79 5.46 1 115 PHE 6.37 5.47 1 116 ARG 6.50 5.18 1 117 THR 6.15 4.85 1 118 VAL 4.26 4.67 1 119 ARG 3.75 2.99 1 121 GLN 6.67 5.07 1 122 VAL 6.45 5.09 1 123 LYS 2.92 2.65 1 124 GLU 6.15 2.59 1 125 ARG 7.70 5.56 1 126 VAL 4.46 4.14 1 127 GLU 3.53 3.11 1 128 ASN 3.46 3.22 1 129 LEU 5.52 4.51 1 130 ILE 3.15 2.28 1 131 ALA 1.50 1.77 1 132 LYS 0.38 0.24 1 133 ILE 0.68 2.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 4.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -1.74 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 GLU -0.19 -2.34 0 52 MET 3.31 -3.68 0 79 VAL -4.23 -0.45 0 10 VAL -4.31 2.10 1 14 ASN -8.00 4.37 1 19 GLN 3.48 1.60 1 20 MET 5.60 -1.94 1 21 ALA 4.49 -0.90 1 22 GLU 5.36 -0.38 1 24 PHE 3.29 0.37 1 25 ALA 3.65 -0.60 1 26 LYS 4.01 -0.19 1 27 THR 2.44 -0.61 1 28 LEU 2.75 -0.97 1 30 ALA -1.12 2.45 1 32 LYS -5.85 3.79 1 33 ILE -3.54 1.78 1 34 ALA -2.84 2.17 1 35 VAL -2.74 2.41 1 36 THR -3.32 2.30 1 37 SER -3.37 2.62 1 38 SER 2.08 -0.44 1 40 LEU -4.32 2.64 1 41 GLU 0.30 0.14 1 42 SER -1.91 1.45 1 43 SER -1.87 0.90 1 44 ARG 1.49 -0.97 1 45 VAL -0.57 3.55 1 46 HIS 6.54 -2.02 1 48 THR 5.09 -1.56 1 49 ALA 5.23 -0.76 1 50 ILE 3.74 -1.00 1 51 ALA -0.77 1.90 1 53 MET 4.00 -0.67 1 54 GLU 2.27 0.45 1 56 VAL -2.77 2.32 1 58 ILE -1.61 -0.12 1 59 ASP 0.75 -0.83 1 60 ILE 4.17 -0.69 1 61 SER 0.94 -0.09 1 63 GLN -2.62 1.54 1 64 THR -1.76 0.34 1 65 SER -0.76 1.55 1 66 ASP 3.12 0.12 1 68 ILE 3.17 -1.25 1 69 GLU 1.93 -1.25 1 70 ASN -3.31 2.95 1 71 PHE -2.57 0.87 1 72 ASN 3.46 -1.23 1 73 ALA 1.76 -0.71 1 74 ASP 1.28 -0.34 1 75 ASP -0.06 1.54 1 76 TYR -1.86 3.75 1 77 ASP -4.53 2.69 1 78 VAL -3.59 2.47 1 80 ILE -2.20 0.58 1 81 SER -1.84 2.54 1 82 LEU 0.64 -0.08 1 85 SER 1.40 -0.88 1 87 VAL 0.43 -0.43 1 88 ASN -0.14 -0.06 1 89 LEU 4.69 -2.29 1 92 GLU 1.57 0.59 1 93 TRP 0.06 -1.76 1 94 VAL 0.47 -1.04 1 95 THR 1.40 -2.56 1 96 GLN 4.55 -0.48 1 97 GLU -3.14 2.54 1 98 ILE -2.92 2.60 1 99 PHE -6.53 4.79 1 100 GLU -4.06 1.99 1 101 ASP -4.13 1.08 1 102 TRP 1.97 -1.55 1 103 GLN -4.36 2.85 1 104 LEU -0.40 0.18 1 105 GLU -2.36 0.90 1 106 ASP 4.26 -1.47 1 108 ASP -1.67 0.39 1 110 GLN -1.59 1.39 1 111 SER 4.40 -1.35 1 112 LEU 4.35 -0.78 1 113 GLU 6.39 -1.90 1 114 VAL 4.79 0.67 1 115 PHE 6.37 -0.90 1 116 ARG 6.50 -1.32 1 117 THR 6.15 -1.30 1 118 VAL 4.26 0.41 1 119 ARG 3.75 -0.76 1 121 GLN 6.67 -1.60 1 122 VAL 6.45 -1.36 1 123 LYS 2.92 -0.27 1 124 GLU 6.15 -3.56 1 125 ARG 7.70 -2.14 1 126 VAL 4.46 -0.32 1 127 GLU 3.53 -0.42 1 128 ASN 3.46 -0.24 1 129 LEU 5.52 -1.01 1 130 ILE 3.15 -0.87 1 131 ALA 1.50 0.27 1 132 LYS 0.38 -0.14 1 133 ILE 0.68 1.78 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.00 _LACS_plot.Line_1_terminator_val_y_1 0.84 _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 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 72 ASN 3.46 -2.14 0 10 VAL -4.31 0.80 1 14 ASN -8.00 0.71 1 19 GLN 3.48 -0.54 1 20 MET 5.60 -0.64 1 21 ALA 4.49 -0.70 1 22 GLU 5.36 -0.21 1 24 PHE 3.29 -0.38 1 25 ALA 3.65 -0.14 1 26 LYS 4.01 -0.10 1 27 THR 2.44 0.00 1 28 LEU 2.75 0.01 1 30 ALA -1.12 0.28 1 32 LYS -5.85 0.92 1 33 ILE -3.54 0.60 1 34 ALA -2.84 0.95 1 35 VAL -2.74 0.17 1 36 THR -3.32 1.09 1 37 SER -3.37 0.58 1 38 SER 2.08 0.08 1 40 LEU -4.32 0.20 1 41 GLU 0.30 0.02 1 42 SER -1.91 0.17 1 43 SER -1.87 0.19 1 44 ARG 1.49 -0.29 1 45 VAL -0.57 -0.44 1 46 HIS 6.54 -0.43 1 48 THR 5.09 -0.50 1 49 ALA 5.23 -0.76 1 50 ILE 3.74 -0.08 1 51 ALA -0.77 -0.02 1 52 MET 3.31 0.40 1 53 MET 4.00 -0.42 1 54 GLU 2.27 -0.20 1 55 GLU -0.19 0.62 1 56 VAL -2.77 -0.05 1 58 ILE -1.61 0.08 1 59 ASP 0.75 0.33 1 60 ILE 4.17 -0.66 1 61 SER 0.94 -0.04 1 63 GLN -2.62 0.15 1 64 THR -1.76 0.25 1 65 SER -0.76 0.20 1 66 ASP 3.12 -0.11 1 68 ILE 3.17 0.03 1 69 GLU 1.93 -0.33 1 70 ASN -3.31 0.28 1 71 PHE -2.57 0.27 1 73 ALA 1.76 -0.39 1 74 ASP 1.28 -0.31 1 75 ASP -0.06 -0.44 1 76 TYR -1.86 0.32 1 77 ASP -4.53 0.47 1 78 VAL -3.59 0.63 1 79 VAL -4.23 0.22 1 80 ILE -2.20 0.69 1 81 SER -1.84 0.64 1 82 LEU 0.64 0.02 1 85 SER 1.40 -0.13 1 87 VAL 0.43 -0.01 1 88 ASN -0.14 -0.23 1 89 LEU 4.69 -0.43 1 92 GLU 1.57 -0.42 1 93 TRP 0.06 0.11 1 94 VAL 0.47 0.14 1 95 THR 1.40 0.06 1 96 GLN 4.55 -0.41 1 97 GLU -3.14 0.30 1 98 ILE -2.92 1.17 1 99 PHE -6.53 -0.05 1 100 GLU -4.06 0.56 1 101 ASP -4.13 0.31 1 102 TRP 1.97 -0.33 1 103 GLN -4.36 0.19 1 104 LEU -0.40 -0.40 1 105 GLU -2.36 -0.59 1 106 ASP 4.26 -0.44 1 108 ASP -1.67 0.36 1 110 GLN -1.59 0.02 1 111 SER 4.40 -0.12 1 112 LEU 4.35 -0.24 1 113 GLU 6.39 -0.43 1 114 VAL 4.79 -0.89 1 115 PHE 6.37 -0.50 1 116 ARG 6.50 -0.38 1 117 THR 6.15 -0.32 1 118 VAL 4.26 -0.24 1 119 ARG 3.75 -0.25 1 121 GLN 6.67 -0.73 1 122 VAL 6.45 -1.69 1 123 LYS 2.92 -0.37 1 124 GLU 6.15 -0.80 1 125 ARG 7.70 -0.32 1 126 VAL 4.46 -0.56 1 127 GLU 3.53 -0.33 1 128 ASN 3.46 -0.07 1 129 LEU 5.52 -0.75 1 130 ILE 3.15 -0.15 1 131 ALA 1.50 0.01 1 132 LYS 0.38 0.40 1 133 ILE 0.68 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.53 _LACS_plot.Line_1_terminator_val_y_1 -2.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 2.80 _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 134 SER 0.68 3.77 0 52 MET -0.77 3.38 0 20 MET 3.48 0.66 1 21 ALA 5.60 0.45 1 22 GLU 4.49 1.33 1 24 PHE 5.36 2.09 1 25 ALA 3.29 1.89 1 26 LYS 3.65 1.40 1 27 THR 4.01 1.84 1 28 LEU 2.44 1.12 1 30 ALA 2.75 1.00 1 32 LYS -1.12 -0.70 1 33 ILE -5.85 -2.76 1 34 ALA -3.54 -0.72 1 35 VAL -2.84 -1.66 1 36 THR -2.74 -3.36 1 37 SER -3.32 -1.58 1 38 SER -3.37 -0.71 1 40 LEU 2.08 -0.30 1 41 GLU -4.32 -0.83 1 42 SER 0.30 -0.48 1 43 SER -1.91 -1.11 1 44 ARG -1.87 -0.35 1 45 VAL 1.49 -1.37 1 48 THR 6.54 1.58 1 49 ALA 5.09 1.47 1 50 ILE 5.23 3.15 1 51 ALA 3.74 3.14 1 53 MET 3.31 2.92 1 54 GLU 4.00 4.22 1 55 GLU 2.27 -1.45 1 56 VAL -0.19 -0.48 1 58 ILE -2.77 -2.80 1 59 ASP -1.61 1.14 1 60 ILE 0.75 0.39 1 61 SER 4.17 0.63 1 63 GLN 0.94 0.09 1 64 THR -2.62 -0.85 1 65 SER -1.76 -1.03 1 68 ILE 3.12 0.28 1 69 GLU 3.17 0.08 1 70 ASN 1.93 -1.00 1 71 PHE -3.31 -2.48 1 72 ASN -2.57 0.10 1 73 ALA 3.46 -0.02 1 74 ASP 1.76 1.20 1 75 ASP 1.28 -0.62 1 76 TYR -0.06 -2.10 1 77 ASP -1.86 -1.68 1 78 VAL -4.53 -2.70 1 79 VAL -3.59 -3.36 1 80 ILE -4.23 -3.46 1 85 SER 0.64 1.15 1 88 ASN 0.43 -0.56 1 89 LEU -0.14 -1.23 1 92 GLU 4.69 1.07 1 93 TRP 1.57 0.23 1 94 VAL 0.06 0.63 1 95 THR 0.47 0.85 1 96 GLN 1.40 -0.59 1 97 GLU 4.55 0.79 1 98 ILE -3.14 -0.84 1 100 GLU -6.53 -4.34 1 101 ASP -4.06 -0.05 1 102 TRP -4.13 0.07 1 103 GLN 1.97 1.98 1 104 LEU -4.36 -0.58 1 105 GLU -0.40 -2.61 1 106 ASP -2.36 1.21 1 108 ASP 4.26 1.67 1 110 GLN -1.67 -0.96 1 111 SER -1.59 0.50 1 112 LEU 4.40 1.41 1 113 GLU 4.35 3.36 1 114 VAL 6.39 2.22 1 115 PHE 4.79 3.89 1 116 ARG 6.37 3.46 1 117 THR 6.50 2.73 1 118 VAL 6.15 1.33 1 119 ARG 4.26 1.69 1 121 GLN 3.75 3.48 1 122 VAL 6.67 0.58 1 123 LYS 6.45 0.78 1 124 GLU 2.92 2.57 1 125 ARG 6.15 3.55 1 126 VAL 7.70 1.17 1 127 GLU 4.46 3.39 1 128 ASN 3.53 1.92 1 129 LEU 3.46 0.76 1 130 ILE 5.52 1.96 1 131 ALA 3.15 1.53 1 132 LYS 1.50 1.95 1 133 ILE 0.38 -1.27 1 stop_ save_