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 bmr7312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.59 _LACS_plot.Line_1_terminator_val_y_1 -3.22 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 2.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.75 _LACS_plot.Line_2_terminator_val_x_2 8.89 _LACS_plot.Line_2_terminator_val_y_2 6.52 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 MET 5.84 0.92 0 85 SER -4.59 -1.70 0 55 HIS 0.20 3.84 0 10 GLN 5.74 4.03 1 11 ASP 4.00 3.04 1 12 VAL 6.18 4.58 1 13 GLU 5.72 3.98 1 14 LYS 4.62 3.39 1 15 ALA 1.65 1.03 1 16 THR -2.41 -2.95 1 17 SER 1.06 0.52 1 18 GLU 3.69 2.17 1 19 MET 0.46 -0.68 1 20 ASN 1.45 0.37 1 21 THR 1.15 0.02 1 22 ALA -3.78 -1.49 1 23 GLU 0.48 0.16 1 24 ASP -1.29 -2.49 1 25 TRP 4.70 3.42 1 27 LEU 3.22 1.80 1 28 ILE 6.55 5.06 1 29 LEU 5.48 2.75 1 30 ASP 4.14 3.35 1 31 ILE 7.00 5.19 1 33 ASP 5.66 3.24 1 34 LYS 3.91 3.31 1 35 VAL 6.55 5.32 1 37 GLN 1.23 0.12 1 38 SER -3.39 -2.14 1 39 ARG 4.05 2.81 1 40 THR 1.43 -0.71 1 43 LYS 4.47 3.40 1 44 ASP 4.82 3.16 1 46 LEU 8.90 7.09 1 47 ARG 3.58 3.33 1 48 SER 3.66 3.88 1 49 ILE 5.44 5.27 1 51 ARG 4.50 3.67 1 52 ARG 2.48 -0.65 1 53 VAL 5.45 3.64 1 54 ASN -0.66 0.40 1 56 LYS 2.87 2.03 1 57 ASP -1.76 -1.18 1 59 HIS 1.64 2.84 1 60 VAL 4.66 3.18 1 61 ALA 1.67 2.92 1 62 MET 4.32 2.32 1 63 GLN 0.97 3.35 1 64 ALA 3.06 2.45 1 65 LEU 3.80 2.29 1 66 THR 6.77 4.59 1 67 LEU 4.65 2.87 1 68 LEU 4.48 3.37 1 70 ALA 3.35 2.38 1 72 VAL 7.53 5.73 1 73 SER 4.40 3.68 1 74 ASN 0.16 2.10 1 77 LYS 4.06 2.42 1 78 ILE 4.32 2.52 1 79 PHE 0.95 2.92 1 80 HIS 0.12 2.52 1 81 LEU 3.11 2.40 1 82 GLU 2.25 0.36 1 83 VAL 3.79 1.59 1 86 ARG 4.46 2.77 1 87 ASP 4.37 3.00 1 88 PHE 3.93 3.63 1 89 ALA 4.34 3.07 1 90 SER 4.45 3.09 1 91 GLU 3.02 2.09 1 92 VAL 6.25 4.29 1 93 SER 5.18 3.70 1 94 ASN 3.96 3.40 1 95 VAL 5.39 3.69 1 96 LEU 4.22 1.94 1 97 ASN 1.35 1.79 1 98 LYS -0.55 0.19 1 100 HIS 0.45 2.84 1 102 LYS 3.99 2.73 1 103 VAL 3.90 3.03 1 105 GLU 2.97 2.52 1 106 LYS 4.36 1.92 1 107 LEU 4.62 2.94 1 108 LYS 5.92 4.30 1 109 ALA 4.00 2.44 1 110 LEU 3.83 1.92 1 111 MET 3.80 4.02 1 112 VAL 6.05 4.53 1 113 GLU 4.45 2.92 1 114 TRP 1.35 -0.58 1 115 THR 6.35 4.92 1 116 ASP 3.05 2.91 1 117 GLU 2.49 1.55 1 118 PHE -0.54 -2.76 1 119 LYS 3.86 2.60 1 120 ASN 0.80 0.22 1 121 ASP -2.57 -1.70 1 123 GLN 2.44 1.73 1 124 LEU 1.40 -1.46 1 125 SER 2.41 2.25 1 126 LEU 3.58 2.74 1 127 ILE 4.98 1.60 1 128 SER 4.25 2.93 1 129 ALA 3.28 2.01 1 130 MET 3.19 3.44 1 131 ILE 3.12 1.47 1 132 LYS 0.07 2.53 1 133 ASN 1.76 1.31 1 135 LYS 1.48 0.75 1 136 GLU 0.47 0.21 1 137 GLN 0.29 0.16 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.59 _LACS_plot.Line_1_terminator_val_y_1 1.37 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 8.89 _LACS_plot.Line_2_terminator_val_y_2 -2.37 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 MET 5.84 -4.92 0 85 SER -4.59 2.89 0 55 HIS 0.20 3.64 0 10 GLN 5.74 -1.71 1 11 ASP 4.00 -0.96 1 12 VAL 6.18 -1.60 1 13 GLU 5.72 -1.74 1 14 LYS 4.62 -1.23 1 15 ALA 1.65 -0.62 1 16 THR -2.41 -0.54 1 17 SER 1.06 -0.54 1 18 GLU 3.69 -1.52 1 19 MET 0.46 -1.14 1 20 ASN 1.45 -1.08 1 21 THR 1.15 -1.13 1 22 ALA -3.78 2.29 1 23 GLU 0.48 -0.32 1 24 ASP -1.29 -1.20 1 25 TRP 4.70 -1.28 1 27 LEU 3.22 -1.42 1 28 ILE 6.55 -1.49 1 29 LEU 5.48 -2.73 1 30 ASP 4.14 -0.79 1 31 ILE 7.00 -1.81 1 33 ASP 5.66 -2.42 1 34 LYS 3.91 -0.60 1 35 VAL 6.55 -1.23 1 37 GLN 1.23 -1.11 1 38 SER -3.39 1.25 1 39 ARG 4.05 -1.24 1 40 THR 1.43 -2.14 1 43 LYS 4.47 -1.07 1 44 ASP 4.82 -1.66 1 46 LEU 8.90 -1.81 1 47 ARG 3.58 -0.25 1 48 SER 3.66 0.22 1 49 ILE 5.44 -0.17 1 51 ARG 4.50 -0.83 1 52 ARG 2.48 -3.13 1 53 VAL 5.45 -1.81 1 54 ASN -0.66 1.06 1 56 LYS 2.87 -0.84 1 57 ASP -1.76 0.58 1 59 HIS 1.64 1.20 1 60 VAL 4.66 -1.48 1 61 ALA 1.67 1.25 1 62 MET 4.32 -2.00 1 63 GLN 0.97 2.38 1 64 ALA 3.06 -0.61 1 65 LEU 3.80 -1.51 1 66 THR 6.77 -2.18 1 67 LEU 4.65 -1.78 1 68 LEU 4.48 -1.11 1 70 ALA 3.35 -0.97 1 72 VAL 7.53 -1.80 1 73 SER 4.40 -0.72 1 74 ASN 0.16 1.94 1 77 LYS 4.06 -1.64 1 78 ILE 4.32 -1.80 1 79 PHE 0.95 1.97 1 80 HIS 0.12 2.40 1 81 LEU 3.11 -0.71 1 82 GLU 2.25 -1.89 1 83 VAL 3.79 -2.20 1 86 ARG 4.46 -1.69 1 87 ASP 4.37 -1.37 1 88 PHE 3.93 -0.30 1 89 ALA 4.34 -1.27 1 90 SER 4.45 -1.36 1 91 GLU 3.02 -0.93 1 92 VAL 6.25 -1.96 1 93 SER 5.18 -1.48 1 94 ASN 3.96 -0.56 1 95 VAL 5.39 -1.70 1 96 LEU 4.22 -2.28 1 97 ASN 1.35 0.44 1 98 LYS -0.55 0.74 1 100 HIS 0.45 2.39 1 102 LYS 3.99 -1.26 1 103 VAL 3.90 -0.87 1 105 GLU 2.97 -0.45 1 106 LYS 4.36 -2.44 1 107 LEU 4.62 -1.68 1 108 LYS 5.92 -1.62 1 109 ALA 4.00 -1.56 1 110 LEU 3.83 -1.91 1 111 MET 3.80 0.22 1 112 VAL 6.05 -1.52 1 113 GLU 4.45 -1.53 1 114 TRP 1.35 -1.93 1 115 THR 6.35 -1.43 1 116 ASP 3.05 -0.14 1 117 GLU 2.49 -0.94 1 118 PHE -0.54 -2.22 1 119 LYS 3.86 -1.26 1 120 ASN 0.80 -0.58 1 121 ASP -2.57 0.87 1 123 GLN 2.44 -0.71 1 124 LEU 1.40 -2.86 1 125 SER 2.41 -0.16 1 126 LEU 3.58 -0.84 1 127 ILE 4.98 -3.38 1 128 SER 4.25 -1.32 1 129 ALA 3.28 -1.27 1 130 MET 3.19 0.25 1 131 ILE 3.12 -1.65 1 132 LYS 0.07 2.46 1 133 ASN 1.76 -0.45 1 135 LYS 1.48 -0.73 1 136 GLU 0.47 -0.26 1 137 GLN 0.29 -0.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.59 _LACS_plot.Line_1_terminator_val_y_1 0.27 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 8.89 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 VAL 3.79 -1.14 0 85 SER -4.59 0.20 0 111 MET 3.80 -1.19 0 10 GLN 5.74 -0.37 1 11 ASP 4.00 -0.22 1 12 VAL 6.18 -0.81 1 13 GLU 5.72 -1.02 1 14 LYS 4.62 -0.34 1 15 ALA 1.65 -0.26 1 16 THR -2.41 -0.08 1 17 SER 1.06 -0.61 1 18 GLU 3.69 -0.55 1 19 MET 0.46 -0.09 1 21 THR 1.15 -0.01 1 22 ALA -3.78 0.13 1 23 GLU 0.48 0.09 1 24 ASP -1.29 0.12 1 25 TRP 4.70 -0.59 1 27 LEU 3.22 -0.22 1 28 ILE 6.55 -0.96 1 30 ASP 4.14 -0.27 1 31 ILE 7.00 -0.64 1 33 ASP 5.66 -0.45 1 34 LYS 3.91 -0.43 1 35 VAL 6.55 -0.69 1 37 GLN 1.23 -0.02 1 38 SER -3.39 0.41 1 39 ARG 4.05 -0.15 1 40 THR 1.43 0.20 1 43 LYS 4.47 -0.76 1 44 ASP 4.82 -0.38 1 46 LEU 8.90 -0.45 1 47 ARG 3.58 -0.40 1 48 SER 3.66 -0.51 1 49 ILE 5.44 -0.77 1 50 MET 5.84 0.14 1 51 ARG 4.50 -0.19 1 52 ARG 2.48 -0.15 1 53 VAL 5.45 -0.40 1 54 ASN -0.66 -0.24 1 55 HIS 0.20 -0.68 1 56 LYS 2.87 -0.24 1 57 ASP -1.76 0.14 1 59 HIS 1.64 -0.19 1 60 VAL 4.66 -0.74 1 61 ALA 1.67 -0.14 1 62 MET 4.32 -0.23 1 63 GLN 0.97 -0.26 1 64 ALA 3.06 -0.51 1 66 THR 6.77 -0.01 1 67 LEU 4.65 -0.50 1 68 LEU 4.48 -0.36 1 70 ALA 3.35 -0.09 1 72 VAL 7.53 -0.73 1 73 SER 4.40 -0.11 1 74 ASN 0.16 0.17 1 77 LYS 4.06 -0.61 1 78 ILE 4.32 -0.30 1 79 PHE 0.95 -0.61 1 80 HIS 0.12 0.13 1 81 LEU 3.11 -0.78 1 82 GLU 2.25 -0.43 1 86 ARG 4.46 -0.30 1 87 ASP 4.37 -0.27 1 88 PHE 3.93 -0.16 1 89 ALA 4.34 -0.44 1 90 SER 4.45 -0.46 1 92 VAL 6.25 -0.95 1 93 SER 5.18 -0.57 1 94 ASN 3.96 -0.24 1 95 VAL 5.39 -0.52 1 96 LEU 4.22 0.07 1 97 ASN 1.35 -0.17 1 98 LYS -0.55 0.16 1 100 HIS 0.45 -0.42 1 102 LYS 3.99 -0.13 1 103 VAL 3.90 -0.42 1 105 GLU 2.97 -0.50 1 106 LYS 4.36 -0.14 1 107 LEU 4.62 -0.46 1 108 LYS 5.92 -0.59 1 109 ALA 4.00 -0.39 1 110 LEU 3.83 -0.87 1 112 VAL 6.05 -0.73 1 113 GLU 4.45 -0.35 1 114 TRP 1.35 -0.64 1 115 THR 6.35 -0.13 1 116 ASP 3.05 -0.17 1 117 GLU 2.49 -0.25 1 118 PHE -0.54 0.10 1 119 LYS 3.86 -0.19 1 120 ASN 0.80 -0.04 1 121 ASP -2.57 0.23 1 123 GLN 2.44 -0.13 1 124 LEU 1.40 0.41 1 125 SER 2.41 -0.08 1 126 LEU 3.58 -0.18 1 127 ILE 4.98 -0.11 1 128 SER 4.25 -0.29 1 129 ALA 3.28 -0.17 1 131 ILE 3.12 -0.36 1 132 LYS 0.07 -0.36 1 133 ASN 1.76 -0.24 1 135 LYS 1.48 -0.17 1 136 GLU 0.47 -0.15 1 137 GLN 0.29 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.59 _LACS_plot.Line_1_terminator_val_y_1 -0.34 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 2.53 _LACS_plot.Y_axis_chem_shift_offset -0.86 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ALA -3.78 -1.46 0 85 SER -4.59 -0.03 0 59 HIS 1.64 5.61 0 10 GLN 5.74 2.75 1 11 ASP 4.00 2.16 1 12 VAL 6.18 3.36 1 13 GLU 5.72 1.47 1 14 LYS 4.62 3.36 1 15 ALA 1.65 -1.23 1 16 THR -2.41 -2.09 1 17 SER 1.06 2.73 1 18 GLU 3.69 -0.29 1 19 MET 0.46 0.92 1 20 ASN 1.45 1.97 1 21 THR 1.15 -0.90 1 23 GLU 0.48 -0.67 1 24 ASP -1.29 -0.33 1 25 TRP 4.70 2.00 1 27 LEU 3.22 1.22 1 28 ILE 6.55 1.56 1 29 LEU 5.48 2.02 1 30 ASP 4.14 2.88 1 31 ILE 7.00 1.38 1 33 ASP 5.66 2.48 1 34 LYS 3.91 3.67 1 35 VAL 6.55 -0.02 1 37 GLN 1.23 -0.74 1 38 SER -3.39 1.40 1 39 ARG 4.05 1.86 1 40 THR 1.43 -0.85 1 43 LYS 4.47 1.80 1 44 ASP 4.82 2.28 1 47 ARG 3.58 3.35 1 48 SER 3.66 4.20 1 49 ILE 5.44 3.13 1 50 MET 5.84 3.44 1 51 ARG 4.50 3.19 1 52 ARG 2.48 1.95 1 53 VAL 5.45 -1.35 1 54 ASN -0.66 -1.33 1 55 HIS 0.20 0.86 1 56 LYS 2.87 0.98 1 57 ASP -1.76 0.61 1 60 VAL 4.66 1.59 1 61 ALA 1.67 2.75 1 62 MET 4.32 4.28 1 63 GLN 0.97 3.08 1 64 ALA 3.06 0.93 1 65 LEU 3.80 1.47 1 66 THR 6.77 2.52 1 67 LEU 4.65 -0.58 1 68 LEU 4.48 0.99 1 70 ALA 3.35 2.27 1 72 VAL 7.53 2.02 1 73 SER 4.40 1.62 1 74 ASN 0.16 2.30 1 77 LYS 4.06 0.41 1 78 ILE 4.32 0.41 1 79 PHE 0.95 1.02 1 80 HIS 0.12 3.21 1 81 LEU 3.11 1.18 1 82 GLU 2.25 2.21 1 83 VAL 3.79 -1.51 1 86 ARG 4.46 2.46 1 88 PHE 3.93 1.28 1 89 ALA 4.34 2.69 1 90 SER 4.45 2.46 1 91 GLU 3.02 3.01 1 92 VAL 6.25 1.10 1 93 SER 5.18 2.81 1 95 VAL 5.39 2.05 1 96 LEU 4.22 1.58 1 97 ASN 1.35 1.25 1 98 LYS -0.55 1.10 1 100 HIS 0.45 3.27 1 102 LYS 3.99 3.22 1 103 VAL 3.90 1.40 1 105 GLU 2.97 2.23 1 106 LYS 4.36 0.84 1 107 LEU 4.62 0.49 1 108 LYS 5.92 1.20 1 109 ALA 4.00 3.61 1 110 LEU 3.83 -1.02 1 111 MET 3.80 2.59 1 112 VAL 6.05 2.77 1 113 GLU 4.45 3.59 1 114 TRP 1.35 1.57 1 115 THR 6.35 2.10 1 116 ASP 3.05 1.59 1 117 GLU 2.49 2.51 1 118 PHE -0.54 1.94 1 119 LYS 3.86 -0.18 1 120 ASN 0.80 1.24 1 121 ASP -2.57 0.45 1 123 GLN 2.44 1.17 1 124 LEU 1.40 -0.81 1 125 SER 2.41 2.08 1 126 LEU 3.58 0.90 1 127 ILE 4.98 1.01 1 128 SER 4.25 2.06 1 129 ALA 3.28 2.05 1 130 MET 3.19 2.49 1 131 ILE 3.12 1.50 1 132 LYS 0.07 1.24 1 133 ASN 1.76 1.20 1 135 LYS 1.48 0.52 1 136 GLU 0.47 0.35 1 137 GLN 0.29 -0.49 1 stop_ save_