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 bmr6433_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.87 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.06 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 7.79 _LACS_plot.Y_axis_chem_shift_offset 1.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 VAL -2.80 2.48 0 10 ASP 1.49 -2.64 1 11 ALA 1.75 1.16 1 12 ASN 0.23 -2.29 1 14 ASP -0.07 -1.51 1 16 SER -3.86 -2.10 1 17 VAL -1.69 -1.78 1 18 SER -4.29 -2.82 1 19 TYR 5.90 3.78 1 20 GLU 4.57 2.41 1 21 GLU 4.37 2.21 1 22 VAL 5.31 4.31 1 23 LYS 4.06 2.58 1 24 ALA 3.01 1.83 1 25 PHE 0.80 0.88 1 26 VAL 7.23 4.31 1 27 SER 3.41 1.60 1 28 SER 2.82 1.01 1 29 LYS -0.81 -1.40 1 30 ARG 0.62 -0.95 1 32 ILE 0.97 -1.15 1 33 LYS 0.59 0.00 1 34 ASN -1.78 -2.53 1 35 GLU 3.79 1.94 1 36 GLN 4.37 3.01 1 37 LEU 3.38 1.83 1 38 LEU 3.38 1.83 1 39 GLN 4.96 3.30 1 40 LEU 3.08 2.12 1 41 ILE 5.23 4.01 1 42 PHE 4.23 4.59 1 43 LYS 3.31 2.11 1 44 ALA 0.71 0.42 1 45 ILE -5.64 -3.96 1 46 ASP 0.80 -2.42 1 47 ILE 3.91 2.38 1 48 ASP 0.82 -1.51 1 50 ASN 0.90 -1.32 1 52 GLU -5.87 -4.15 1 53 ILE -4.61 -1.79 1 54 ASP -3.50 -3.16 1 55 LEU 4.44 2.27 1 56 ALA 3.82 2.34 1 57 GLU 2.44 1.48 1 58 PHE -5.76 -3.32 1 59 THR 2.10 -2.72 1 61 PHE 6.98 4.66 1 62 ALA 1.31 0.42 1 63 ALA 1.15 0.26 1 64 ALA 9.85 9.56 1 66 LYS 3.70 2.51 1 69 ASP -4.43 0.35 1 70 LEU 4.10 1.38 1 71 SER 1.75 0.24 1 72 ASP -0.98 -1.28 1 73 GLU 3.48 2.22 1 74 LYS 4.60 2.88 1 77 LEU 2.24 1.58 1 78 LYS 3.77 3.75 1 79 ILE 3.76 2.51 1 80 LEU 5.09 4.16 1 81 TYR 2.83 1.35 1 82 LYS 2.19 0.63 1 83 LEU -0.16 1.82 1 84 MET 1.85 -1.98 1 85 ASP 2.86 1.97 1 86 ALA -0.12 -2.45 1 87 ASP 0.29 -1.75 1 89 ASP -1.88 -1.87 1 91 LYS -1.52 -2.18 1 92 LEU -3.32 -2.79 1 93 THR 4.54 3.05 1 94 LYS 4.80 2.95 1 95 GLU 3.08 2.11 1 96 GLU 5.66 4.08 1 97 VAL 6.56 4.71 1 98 THR 5.81 4.25 1 99 THR 4.61 3.18 1 100 PHE 5.13 3.40 1 101 PHE 4.25 2.51 1 102 LYS 3.41 1.62 1 103 LYS -2.02 -2.56 1 104 PHE -1.71 -2.64 1 106 TYR 4.47 2.65 1 107 GLU 3.40 1.61 1 108 LYS 0.98 -0.60 1 109 VAL 5.96 4.08 1 110 VAL 4.03 2.23 1 111 ASP 3.34 1.68 1 112 GLN 4.58 0.96 1 113 ILE 4.00 -0.86 1 114 MET 2.80 0.72 1 115 LYS 1.20 -0.28 1 116 ALA 1.31 -2.22 1 117 ASP 1.44 1.12 1 118 ALA 0.23 -2.29 1 119 ASN 0.46 -1.28 1 121 ASP -5.49 -4.04 1 123 TYR -3.72 -2.56 1 124 ILE -1.25 -1.61 1 125 THR 4.46 2.72 1 126 LEU 4.98 3.12 1 127 GLU 2.68 1.71 1 128 GLU 3.14 3.20 1 129 PHE 2.79 0.63 1 130 LEU -0.33 -0.92 1 131 ALA -0.32 -0.56 1 132 PHE -1.21 -1.35 1 133 ASN 0.87 1.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6433_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.87 _LACS_plot.Line_1_terminator_val_y_1 2.19 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -2.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 -2.06 _LACS_plot.Y_axis_chem_shift_offset 1.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 VAL -2.80 5.28 0 10 ASP 1.49 -4.13 1 11 ALA 1.75 -0.59 1 12 ASN 0.23 -2.52 1 14 ASP -0.07 -1.44 1 16 SER -3.86 1.76 1 17 VAL -1.69 -0.09 1 18 SER -4.29 1.47 1 19 TYR 5.90 -2.12 1 20 GLU 4.57 -2.16 1 21 GLU 4.37 -2.16 1 22 VAL 5.31 -1.00 1 23 LYS 4.06 -1.48 1 24 ALA 3.01 -1.18 1 25 PHE 0.80 0.08 1 26 VAL 7.23 -2.92 1 27 SER 3.41 -1.81 1 28 SER 2.82 -1.81 1 29 LYS -0.81 -0.59 1 30 ARG 0.62 -1.57 1 32 ILE 0.97 -2.12 1 33 LYS 0.59 -0.59 1 34 ASN -1.78 -0.75 1 35 GLU 3.79 -1.85 1 36 GLN 4.37 -1.36 1 37 LEU 3.38 -1.55 1 38 LEU 3.38 -1.55 1 39 GLN 4.96 -1.66 1 40 LEU 3.08 -0.96 1 41 ILE 5.23 -1.22 1 42 PHE 4.23 0.36 1 43 LYS 3.31 -1.20 1 44 ALA 0.71 -0.29 1 45 ILE -5.64 1.68 1 46 ASP 0.80 -3.22 1 47 ILE 3.91 -1.53 1 48 ASP 0.82 -2.33 1 50 ASN 0.90 -2.22 1 52 GLU -5.87 1.72 1 53 ILE -4.61 2.82 1 54 ASP -3.50 0.34 1 55 LEU 4.44 -2.17 1 56 ALA 3.82 -1.48 1 57 GLU 2.44 -0.96 1 58 PHE -5.76 2.44 1 59 THR 2.10 -4.82 1 61 PHE 6.98 -2.32 1 62 ALA 1.31 -0.89 1 63 ALA 1.15 -0.89 1 64 ALA 9.85 -0.29 1 66 LYS 3.70 -1.19 1 69 ASP -4.43 4.78 1 70 LEU 4.10 -2.72 1 71 SER 1.75 -1.51 1 72 ASP -0.98 -0.30 1 73 GLU 3.48 -1.26 1 74 LYS 4.60 -1.72 1 77 LEU 2.24 -0.66 1 78 LYS 3.77 -0.02 1 79 ILE 3.76 -1.25 1 80 LEU 5.09 -0.93 1 81 TYR 2.83 -1.48 1 82 LYS 2.19 -1.56 1 83 LEU -0.16 1.98 1 84 MET 1.85 -3.83 1 85 ASP 2.86 -0.89 1 86 ALA -0.12 -2.33 1 87 ASP 0.29 -2.04 1 89 ASP -1.88 0.01 1 91 LYS -1.52 -0.66 1 92 LEU -3.32 0.53 1 93 THR 4.54 -1.49 1 94 LYS 4.80 -1.85 1 95 GLU 3.08 -0.97 1 96 GLU 5.66 -1.58 1 97 VAL 6.56 -1.85 1 98 THR 5.81 -1.56 1 99 THR 4.61 -1.43 1 100 PHE 5.13 -1.73 1 101 PHE 4.25 -1.74 1 102 LYS 3.41 -1.79 1 103 LYS -2.02 -0.54 1 104 PHE -1.71 -0.93 1 106 TYR 4.47 -1.82 1 107 GLU 3.40 -1.79 1 108 LYS 0.98 -1.58 1 109 VAL 5.96 -1.88 1 110 VAL 4.03 -1.80 1 111 ASP 3.34 -1.66 1 112 GLN 4.58 -3.62 1 113 ILE 4.00 -4.86 1 114 MET 2.80 -2.08 1 115 LYS 1.20 -1.48 1 116 ALA 1.31 -3.53 1 117 ASP 1.44 -0.32 1 118 ALA 0.23 -2.52 1 119 ASN 0.46 -1.74 1 121 ASP -5.49 1.45 1 123 TYR -3.72 1.16 1 124 ILE -1.25 -0.36 1 125 THR 4.46 -1.74 1 126 LEU 4.98 -1.86 1 127 GLU 2.68 -0.97 1 128 GLU 3.14 0.06 1 129 PHE 2.79 -2.16 1 130 LEU -0.33 -0.59 1 131 ALA -0.32 -0.24 1 132 PHE -1.21 -0.14 1 133 ASN 0.87 0.23 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6433_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.87 _LACS_plot.Line_1_terminator_val_y_1 0.51 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 ILE -3.72 1.06 0 53 ILE -4.61 -0.40 0 84 MET -0.16 -1.02 0 10 ASP 1.49 -0.29 1 11 ALA 1.75 0.02 1 12 ASN 0.23 -0.03 1 14 ASP -0.07 -0.14 1 16 SER -3.86 0.60 1 17 VAL -1.69 0.80 1 18 SER -4.29 0.45 1 19 TYR 5.90 -0.57 1 20 GLU 4.57 -0.32 1 21 GLU 4.37 -0.37 1 22 VAL 5.31 -0.61 1 23 LYS 4.06 0.28 1 24 ALA 3.01 -0.34 1 25 PHE 0.80 -0.43 1 27 SER 3.41 0.29 1 28 SER 2.82 -0.27 1 29 LYS -0.81 -0.03 1 30 ARG 0.62 0.01 1 32 ILE 0.97 -0.14 1 35 GLU 3.79 0.26 1 36 GLN 4.37 -0.30 1 37 LEU 3.38 -0.30 1 38 LEU 3.38 -0.26 1 39 GLN 4.96 -0.77 1 40 LEU 3.08 -0.52 1 42 PHE 4.23 -0.48 1 43 LYS 3.31 -0.12 1 44 ALA 0.71 -0.65 1 46 ASP 0.80 -0.34 1 47 ILE 3.91 -0.45 1 48 ASP 0.82 -0.14 1 50 ASN 0.90 -0.13 1 52 GLU -5.87 0.62 1 54 ASP -3.50 0.59 1 55 LEU 4.44 -1.09 1 56 ALA 3.82 -0.29 1 57 GLU 2.44 -0.37 1 62 ALA 1.31 -0.12 1 63 ALA 1.15 -0.12 1 66 LYS 3.70 -0.34 1 69 ASP -4.43 -0.29 1 71 SER 1.75 -0.12 1 72 ASP -0.98 -0.19 1 77 LEU 2.24 -0.51 1 80 LEU 3.76 -0.51 1 81 TYR 5.09 -0.67 1 82 LYS 2.83 -0.20 1 83 LEU 2.19 -0.41 1 85 ASP 1.85 -0.29 1 86 ALA 2.86 0.03 1 87 ASP -0.12 -0.04 1 89 ASP 0.29 -0.24 1 91 LYS -1.88 -0.08 1 92 LEU -1.52 0.84 1 93 THR -3.32 0.31 1 94 LYS 4.54 -0.12 1 95 GLU 4.80 -0.26 1 96 GLU 3.08 -0.37 1 97 VAL 5.66 -0.51 1 98 THR 6.56 -0.05 1 99 THR 5.81 -0.15 1 100 PHE 4.61 -0.58 1 101 PHE 5.13 -0.74 1 102 LYS 4.25 -0.23 1 103 LYS 3.41 -0.49 1 104 PHE -2.02 0.14 1 106 TYR -1.71 0.37 1 107 GLU 4.47 -0.37 1 108 LYS 3.40 -0.12 1 109 VAL 0.98 -0.03 1 110 VAL 5.96 -0.97 1 111 ASP 4.03 -0.38 1 112 GLN 3.34 -0.20 1 113 ILE 4.58 -0.50 1 114 MET 4.00 -0.08 1 115 LYS 2.80 -0.34 1 116 ALA 1.20 -0.65 1 117 ASP 1.31 -0.14 1 118 ALA 1.44 -0.23 1 119 ASN 0.23 -0.03 1 121 ASP 0.46 -0.24 1 123 TYR -5.49 0.68 1 125 THR -1.25 0.26 1 126 LEU 4.46 -0.10 1 127 GLU 4.98 -0.58 1 128 GLU 2.68 -0.32 1 129 PHE 3.14 -0.53 1 130 LEU 2.79 -0.36 1 131 ALA -0.33 -0.08 1 132 PHE -0.32 -0.27 1 133 ASN -1.21 -0.34 1 134 LEU 0.87 -0.46 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6433_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.87 _LACS_plot.Line_1_terminator_val_y_1 -0.87 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.06 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 2.34 _LACS_plot.Y_axis_chem_shift_offset -0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 ILE -5.64 2.51 0 77 LEU 2.24 -3.58 0 58 PHE -5.76 2.57 0 64 ALA 9.85 -1.08 0 10 ASP 1.49 0.15 1 11 ALA 1.75 1.09 1 12 ASN 0.23 1.32 1 14 ASP -0.07 1.63 1 16 SER -3.86 -2.12 1 17 VAL -1.69 -1.09 1 18 SER -4.29 0.57 1 19 TYR 5.90 1.18 1 20 GLU 4.57 3.21 1 21 GLU 4.37 3.85 1 22 VAL 5.31 0.69 1 23 LYS 4.06 2.17 1 24 ALA 3.01 1.92 1 25 PHE 0.80 4.65 1 26 VAL 7.23 1.40 1 27 SER 3.41 0.76 1 28 SER 2.82 -0.06 1 29 LYS -0.81 -0.36 1 30 ARG 0.62 1.98 1 32 ILE 0.97 -0.35 1 33 LYS 0.59 0.17 1 34 ASN -1.78 -0.37 1 35 GLU 3.79 0.98 1 36 GLN 4.37 2.58 1 37 LEU 3.38 0.23 1 38 LEU 3.38 0.48 1 39 GLN 4.96 2.23 1 40 LEU 3.08 0.15 1 41 ILE 5.23 0.15 1 42 PHE 4.23 0.91 1 43 LYS 3.31 0.21 1 44 ALA 0.71 0.51 1 46 ASP 0.80 0.18 1 47 ILE 3.91 1.77 1 48 ASP 0.82 1.63 1 50 ASN 0.90 1.26 1 52 GLU -5.87 -2.36 1 53 ILE -4.61 -0.54 1 54 ASP -3.50 -0.10 1 55 LEU 4.44 1.75 1 56 ALA 3.82 3.63 1 57 GLU 2.44 0.99 1 59 THR 2.10 1.38 1 61 PHE 6.98 1.48 1 62 ALA 1.31 0.88 1 63 ALA 1.15 1.45 1 66 LYS 3.70 -0.52 1 69 ASP -4.43 -1.09 1 70 LEU 4.10 -1.20 1 71 SER 1.75 -0.38 1 72 ASP -0.98 -0.49 1 73 GLU 3.48 -1.19 1 74 LYS 4.60 0.17 1 75 VAL -2.80 -0.49 1 78 LYS 3.77 2.71 1 79 ILE 3.76 -0.03 1 80 LEU 5.09 0.71 1 81 TYR 2.83 2.42 1 82 LYS 2.19 0.56 1 83 LEU -0.16 0.73 1 84 MET 1.85 0.95 1 85 ASP 2.86 0.75 1 86 ALA -0.12 1.40 1 87 ASP 0.29 1.34 1 89 ASP -1.88 -2.47 1 91 LYS -1.52 -0.78 1 92 LEU -3.32 0.43 1 93 THR 4.54 3.31 1 94 LYS 4.80 2.48 1 95 GLU 3.08 3.82 1 96 GLU 5.66 1.28 1 97 VAL 6.56 1.38 1 98 THR 5.81 1.03 1 99 THR 4.61 0.19 1 100 PHE 5.13 3.32 1 101 PHE 4.25 2.51 1 102 LYS 3.41 0.37 1 103 LYS -2.02 -0.24 1 104 PHE -1.71 0.19 1 106 TYR 4.47 1.17 1 107 GLU 3.40 0.96 1 108 LYS 0.98 0.44 1 109 VAL 5.96 0.68 1 110 VAL 4.03 1.98 1 111 ASP 3.34 2.19 1 112 GLN 4.58 1.30 1 113 ILE 4.00 3.21 1 114 MET 2.80 0.15 1 115 LYS 1.20 0.26 1 116 ALA 1.31 -0.49 1 117 ASP 1.44 0.53 1 118 ALA 0.23 1.23 1 119 ASN 0.46 0.31 1 121 ASP -5.49 -1.21 1 123 TYR -3.72 2.08 1 124 ILE -1.25 0.23 1 125 THR 4.46 0.42 1 126 LEU 4.98 3.57 1 127 GLU 2.68 3.02 1 128 GLU 3.14 1.17 1 129 PHE 2.79 0.28 1 130 LEU -0.33 -0.31 1 131 ALA -0.32 -1.62 1 132 PHE -1.21 -2.49 1 133 ASN 0.87 3.33 1 stop_ save_