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 bmr7276_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.05 _LACS_plot.Line_1_terminator_val_y_1 -1.63 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 9.37 _LACS_plot.Line_2_terminator_val_y_2 7.19 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 LYS 3.46 0.55 0 97 THR 9.37 6.65 0 118 THR -3.05 -1.61 0 10 ASP 0.19 0.24 1 11 ASP 5.64 3.78 1 12 PHE 2.19 0.29 1 13 ARG 0.54 0.66 1 14 ASN -0.33 0.11 1 15 GLU 0.67 0.90 1 16 PHE 0.28 -0.06 1 17 ASP 2.64 1.04 1 18 HIS -0.41 1.59 1 19 LEU 1.77 1.37 1 20 LEU 2.74 2.17 1 21 ILE 2.57 1.17 1 22 GLU 3.75 3.03 1 23 GLN 3.00 2.54 1 24 ALA 4.68 3.19 1 25 ASN 3.92 4.05 1 26 HIS 2.82 3.84 1 27 ALA 3.91 2.89 1 28 ILE 4.33 4.17 1 29 GLU 3.10 3.06 1 30 LYS 3.95 2.91 1 32 GLU 3.71 3.54 1 33 HIS 3.43 4.65 1 34 GLN 3.22 2.93 1 35 LEU 4.66 3.55 1 36 LEU 3.98 3.06 1 37 TYR 3.46 2.76 1 38 LEU 3.90 2.90 1 39 GLN 5.60 3.74 1 40 HIS 3.97 3.78 1 41 GLN 3.05 2.88 1 42 LEU 4.41 3.03 1 43 ASP 4.83 3.64 1 44 GLU 3.73 2.86 1 45 LEU 2.65 1.67 1 46 ASN 2.77 3.08 1 47 GLU 1.03 1.48 1 48 ASN 0.59 0.42 1 50 SER -0.92 -1.01 1 51 LYS 3.83 3.46 1 52 GLU 3.50 3.09 1 53 LEU 3.27 2.11 1 54 GLN 3.47 4.54 1 55 GLU 3.47 3.09 1 56 LYS 4.08 3.80 1 57 ILE 5.12 4.74 1 58 ILE 5.54 4.16 1 59 ARG 4.54 3.67 1 60 GLU 3.15 3.05 1 61 LEU 3.81 3.52 1 62 ASP 3.83 3.56 1 63 VAL 4.62 4.27 1 64 VAL 5.00 4.16 1 66 ALA 4.24 2.84 1 67 MET 5.05 3.52 1 68 ILE 4.67 2.16 1 69 GLU 3.93 3.63 1 71 ALA 4.41 2.70 1 72 GLN 4.80 4.39 1 74 ALA 3.60 2.69 1 75 LEU 3.54 2.97 1 76 GLU 3.36 3.07 1 77 ARG 3.43 3.71 1 78 GLU 2.57 2.12 1 79 LEU 1.77 1.77 1 80 LYS 1.45 1.08 1 81 ARG 0.61 1.72 1 82 THR 0.52 -0.23 1 83 ASP -0.20 -0.96 1 84 LEU -1.23 -0.62 1 85 ASN -0.16 -0.18 1 86 ILE 4.24 3.61 1 87 LEU 3.41 2.51 1 88 GLU 1.85 2.40 1 89 ARG 4.94 4.89 1 90 PHE 4.09 3.47 1 91 ASN 4.06 3.12 1 92 TYR 3.09 1.73 1 93 GLU 4.21 3.60 1 94 GLU 3.39 3.09 1 95 ALA 3.69 2.61 1 96 GLN 3.19 3.98 1 98 LEU 3.67 3.13 1 99 SER 6.78 4.58 1 100 LYS 4.32 3.84 1 101 ILE 4.46 4.32 1 102 LEU 3.01 2.78 1 103 LEU 3.72 3.13 1 104 LYS 5.04 3.75 1 105 ASP 3.86 3.48 1 106 LEU 3.90 4.08 1 107 LYS 3.85 2.17 1 108 GLU 3.60 3.09 1 109 THR 8.25 6.19 1 110 GLU 3.79 3.53 1 111 GLN 4.35 3.19 1 112 LYS 3.51 3.57 1 113 VAL 4.56 3.60 1 114 LYS 3.94 3.43 1 115 ASP 0.54 1.03 1 116 ILE 1.61 0.75 1 117 GLN 0.86 -0.28 1 119 GLN -0.24 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7276_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.05 _LACS_plot.Line_1_terminator_val_y_1 1.42 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.88 _LACS_plot.Line_2_terminator_val_x_2 9.37 _LACS_plot.Line_2_terminator_val_y_2 -2.18 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 LYS 3.46 -2.91 0 97 THR 9.37 -2.72 0 118 THR -3.05 1.44 0 10 ASP 0.19 0.05 1 11 ASP 5.64 -1.86 1 12 PHE 2.19 -1.90 1 13 ARG 0.54 0.12 1 14 ASN -0.33 0.44 1 15 GLU 0.67 0.23 1 16 PHE 0.28 -0.34 1 17 ASP 2.64 -1.60 1 18 HIS -0.41 2.00 1 19 LEU 1.77 -0.40 1 20 LEU 2.74 -0.57 1 21 ILE 2.57 -1.40 1 22 GLU 3.75 -0.72 1 23 GLN 3.00 -0.46 1 24 ALA 4.68 -1.49 1 25 ASN 3.92 0.13 1 26 HIS 2.82 1.02 1 27 ALA 3.91 -1.02 1 28 ILE 4.33 -0.16 1 29 GLU 3.10 -0.04 1 30 LYS 3.95 -1.04 1 32 GLU 3.71 -0.17 1 33 HIS 3.43 1.22 1 34 GLN 3.22 -0.29 1 35 LEU 4.66 -1.11 1 36 LEU 3.98 -0.92 1 37 TYR 3.46 -0.70 1 38 LEU 3.90 -1.00 1 39 GLN 5.60 -1.86 1 40 HIS 3.97 -0.19 1 41 GLN 3.05 -0.17 1 42 LEU 4.41 -1.38 1 43 ASP 4.83 -1.19 1 44 GLU 3.73 -0.87 1 45 LEU 2.65 -0.98 1 46 ASN 2.77 0.31 1 47 GLU 1.03 0.45 1 48 ASN 0.59 -0.17 1 50 SER -0.92 -0.09 1 51 LYS 3.83 -0.37 1 52 GLU 3.50 -0.41 1 53 LEU 3.27 -1.16 1 54 GLN 3.47 1.07 1 55 GLU 3.47 -0.38 1 56 LYS 4.08 -0.28 1 57 ILE 5.12 -0.38 1 58 ILE 5.54 -1.38 1 59 ARG 4.54 -0.87 1 60 GLU 3.15 -0.10 1 61 LEU 3.81 -0.29 1 62 ASP 3.83 -0.27 1 63 VAL 4.62 -0.35 1 64 VAL 5.00 -0.84 1 66 ALA 4.24 -1.40 1 67 MET 5.05 -1.53 1 68 ILE 4.67 -2.51 1 69 GLU 3.93 -0.30 1 71 ALA 4.41 -1.71 1 72 GLN 4.80 -0.41 1 74 ALA 3.60 -0.91 1 75 LEU 3.54 -0.57 1 76 GLU 3.36 -0.29 1 77 ARG 3.43 0.28 1 78 GLU 2.57 -0.45 1 79 LEU 1.77 0.00 1 80 LYS 1.45 -0.37 1 81 ARG 0.61 1.11 1 82 THR 0.52 -0.75 1 83 ASP -0.20 -0.76 1 84 LEU -1.23 0.61 1 85 ASN -0.16 -0.02 1 86 ILE 4.24 -0.63 1 87 LEU 3.41 -0.90 1 88 GLU 1.85 0.55 1 89 ARG 4.94 -0.05 1 90 PHE 4.09 -0.62 1 91 ASN 4.06 -0.94 1 92 TYR 3.09 -1.36 1 93 GLU 4.21 -0.61 1 94 GLU 3.39 -0.30 1 95 ALA 3.69 -1.08 1 96 GLN 3.19 0.79 1 98 LEU 3.67 -0.54 1 99 SER 6.78 -2.20 1 100 LYS 4.32 -0.48 1 101 ILE 4.46 -0.14 1 102 LEU 3.01 -0.23 1 103 LEU 3.72 -0.59 1 104 LYS 5.04 -1.29 1 105 ASP 3.86 -0.38 1 106 LEU 3.90 0.18 1 107 LYS 3.85 -1.68 1 108 GLU 3.60 -0.51 1 109 THR 8.25 -2.06 1 110 GLU 3.79 -0.26 1 111 GLN 4.35 -1.16 1 112 LYS 3.51 0.06 1 113 VAL 4.56 -0.96 1 114 LYS 3.94 -0.51 1 115 ASP 0.54 0.49 1 116 ILE 1.61 -0.86 1 117 GLN 0.86 -1.14 1 119 GLN -0.24 1.84 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7276_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.05 _LACS_plot.Line_1_terminator_val_y_1 0.21 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _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 9.37 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 THR 9.37 0.07 0 10 ASP 0.19 -0.10 1 11 ASP 5.64 -0.06 1 12 PHE 2.19 -0.04 1 13 ARG 0.54 -0.07 1 14 ASN -0.33 -0.03 1 15 GLU 0.67 -0.20 1 16 PHE 0.28 0.00 1 17 ASP 2.64 -0.74 1 18 HIS -0.41 -0.74 1 19 LEU 1.77 -0.04 1 20 LEU 2.74 -0.18 1 21 ILE 2.57 -0.23 1 22 GLU 3.75 -0.27 1 23 GLN 3.00 -0.13 1 24 ALA 4.68 -0.22 1 25 ASN 3.92 -0.03 1 26 HIS 2.82 -0.20 1 27 ALA 3.91 -0.22 1 28 ILE 4.33 -0.68 1 29 GLU 3.10 -0.25 1 30 LYS 3.95 -0.22 1 32 GLU 3.71 -0.37 1 33 HIS 3.43 -0.34 1 34 GLN 3.22 0.01 1 35 LEU 4.66 -0.26 1 36 LEU 3.98 -0.19 1 37 TYR 3.46 -0.13 1 38 LEU 3.90 -0.47 1 39 GLN 5.60 -0.45 1 40 HIS 3.97 -0.15 1 41 GLN 3.05 -0.27 1 42 LEU 4.41 -0.36 1 43 ASP 4.83 -0.18 1 44 GLU 3.73 -0.27 1 45 LEU 2.65 0.14 1 46 ASN 2.77 -0.39 1 47 GLU 1.03 -0.03 1 48 ASN 0.59 -0.05 1 49 LYS 3.46 -0.62 1 50 SER -0.92 0.11 1 51 LYS 3.83 -0.29 1 52 GLU 3.50 -0.28 1 53 LEU 3.27 -0.04 1 54 GLN 3.47 -0.65 1 55 GLU 3.47 -0.39 1 56 LYS 4.08 -0.29 1 57 ILE 5.12 -0.49 1 58 ILE 5.54 -0.30 1 59 ARG 4.54 -0.13 1 60 GLU 3.15 -0.22 1 61 LEU 3.81 -0.37 1 62 ASP 3.83 -0.22 1 63 VAL 4.62 -0.35 1 64 VAL 5.00 -0.26 1 66 ALA 4.24 -0.08 1 67 MET 5.05 -0.37 1 68 ILE 4.67 -0.39 1 69 GLU 3.93 -0.27 1 71 ALA 4.41 -0.24 1 72 GLN 4.80 -0.40 1 74 ALA 3.60 -0.19 1 75 LEU 3.54 -0.65 1 76 GLU 3.36 -0.53 1 77 ARG 3.43 -0.39 1 78 GLU 2.57 -0.37 1 79 LEU 1.77 -0.24 1 80 LYS 1.45 -0.09 1 81 ARG 0.61 -0.11 1 82 THR 0.52 0.13 1 83 ASP -0.20 0.11 1 84 LEU -1.23 0.15 1 85 ASN -0.16 0.05 1 86 ILE 4.24 -0.31 1 87 LEU 3.41 -0.12 1 88 GLU 1.85 -0.58 1 89 ARG 4.94 -0.16 1 90 PHE 4.09 -0.27 1 91 ASN 4.06 -0.32 1 92 TYR 3.09 0.01 1 93 GLU 4.21 -0.31 1 94 GLU 3.39 -0.35 1 95 ALA 3.69 -0.07 1 96 GLN 3.19 -0.37 1 98 LEU 3.67 -0.22 1 99 SER 6.78 -0.48 1 100 LYS 4.32 -0.31 1 101 ILE 4.46 -0.49 1 102 LEU 3.01 -0.03 1 103 LEU 3.72 -0.20 1 104 LYS 5.04 -0.24 1 105 ASP 3.86 -0.09 1 106 LEU 3.90 -0.48 1 107 LYS 3.85 0.03 1 108 GLU 3.60 -0.18 1 109 THR 8.25 0.10 1 110 GLU 3.79 -0.79 1 111 GLN 4.35 -0.47 1 112 LYS 3.51 -0.25 1 113 VAL 4.56 -0.58 1 114 LYS 3.94 -0.45 1 115 ASP 0.54 -0.08 1 116 ILE 1.61 -0.32 1 117 GLN 0.86 0.17 1 118 THR -3.05 0.26 1 119 GLN -0.24 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7276_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.05 _LACS_plot.Line_1_terminator_val_y_1 -0.38 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.44 _LACS_plot.Line_2_terminator_val_x_2 9.37 _LACS_plot.Line_2_terminator_val_y_2 3.41 _LACS_plot.Y_axis_chem_shift_offset -0.84 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 THR 8.25 0.48 0 118 THR -3.05 -0.61 0 97 THR 9.37 1.66 0 10 ASP 0.19 -0.43 1 11 ASP 5.64 -0.48 1 12 PHE 2.19 0.02 1 13 ARG 0.54 -0.17 1 14 ASN -0.33 0.51 1 15 GLU 0.67 0.03 1 16 PHE 0.28 0.06 1 17 ASP 2.64 2.48 1 18 HIS -0.41 1.67 1 19 LEU 1.77 -1.86 1 20 LEU 2.74 -1.70 1 21 ILE 2.57 -0.57 1 22 GLU 3.75 2.69 1 23 GLN 3.00 3.30 1 24 ALA 4.68 0.90 1 25 ASN 3.92 3.50 1 26 HIS 2.82 3.08 1 27 ALA 3.91 1.67 1 28 ILE 4.33 0.86 1 29 GLU 3.10 3.03 1 30 LYS 3.95 3.31 1 32 GLU 3.71 3.00 1 33 HIS 3.43 4.87 1 34 GLN 3.22 2.35 1 35 LEU 4.66 0.46 1 36 LEU 3.98 2.20 1 37 TYR 3.46 2.50 1 38 LEU 3.90 1.52 1 39 GLN 5.60 3.16 1 40 HIS 3.97 4.37 1 41 GLN 3.05 1.90 1 42 LEU 4.41 0.37 1 43 ASP 4.83 3.10 1 44 GLU 3.73 2.42 1 45 LEU 2.65 1.00 1 46 ASN 2.77 1.46 1 47 GLU 1.03 0.95 1 48 ASN 0.59 0.85 1 49 LYS 3.46 -1.46 1 50 SER -0.92 1.43 1 51 LYS 3.83 1.32 1 52 GLU 3.50 2.90 1 53 LEU 3.27 0.08 1 54 GLN 3.47 0.87 1 55 GLU 3.47 2.45 1 56 LYS 4.08 2.03 1 57 ILE 5.12 1.85 1 58 ILE 5.54 1.57 1 59 ARG 4.54 3.33 1 60 GLU 3.15 3.56 1 61 LEU 3.81 1.16 1 62 ASP 3.83 3.22 1 63 VAL 4.62 2.79 1 64 VAL 5.00 2.00 1 66 ALA 4.24 3.42 1 67 MET 5.05 2.68 1 68 ILE 4.67 1.80 1 69 GLU 3.93 4.33 1 71 ALA 4.41 1.29 1 72 GLN 4.80 3.13 1 74 ALA 3.60 2.67 1 75 LEU 3.54 0.38 1 76 GLU 3.36 2.58 1 77 ARG 3.43 3.46 1 78 GLU 2.57 2.35 1 79 LEU 1.77 0.83 1 80 LYS 1.45 1.61 1 81 ARG 0.61 1.48 1 82 THR 0.52 0.80 1 83 ASP -0.20 0.03 1 84 LEU -1.23 0.81 1 85 ASN -0.16 0.71 1 86 ILE 4.24 1.26 1 87 LEU 3.41 1.55 1 88 GLU 1.85 1.76 1 89 ARG 4.94 1.32 1 90 PHE 4.09 2.15 1 91 ASN 4.06 4.21 1 92 TYR 3.09 2.52 1 93 GLU 4.21 3.40 1 94 GLU 3.39 2.41 1 95 ALA 3.69 1.99 1 96 GLN 3.19 2.99 1 98 LEU 3.67 2.67 1 99 SER 6.78 0.44 1 100 LYS 4.32 3.43 1 101 ILE 4.46 1.33 1 102 LEU 3.01 1.43 1 103 LEU 3.72 1.07 1 104 LYS 5.04 2.85 1 105 ASP 3.86 4.57 1 106 LEU 3.90 1.40 1 107 LYS 3.85 3.87 1 108 GLU 3.60 2.99 1 110 GLU 3.79 0.78 1 111 GLN 4.35 1.76 1 112 LYS 3.51 3.37 1 113 VAL 4.56 2.42 1 114 LYS 3.94 0.75 1 115 ASP 0.54 0.64 1 116 ILE 1.61 -0.72 1 117 GLN 0.86 -0.09 1 119 GLN -0.24 4.34 1 stop_ save_