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 bmr19006_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.00 _LACS_plot.Line_1_terminator_val_y_1 -0.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 7.76 _LACS_plot.Line_2_terminator_val_y_2 6.09 _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 67 PHE 0.52 -2.40 0 10 LYS 3.08 2.39 1 11 ILE 4.57 3.00 1 12 ALA 3.90 2.56 1 13 HIS 4.21 4.03 1 14 LEU 3.55 3.00 1 15 ALA 3.39 2.72 1 16 GLN 3.43 2.54 1 17 GLU 1.48 2.37 1 18 ILE -1.15 0.12 1 20 GLU 3.86 3.78 1 21 GLU 3.05 1.67 1 22 ASN 0.24 1.00 1 23 VAL 3.49 2.79 1 25 ILE 3.42 2.43 1 26 LEU 3.26 2.56 1 27 LEU 3.70 3.66 1 28 ASP 4.73 4.07 1 29 ILE 1.91 1.68 1 30 PHE 4.76 3.11 1 31 LEU 4.95 3.56 1 32 SER 4.15 2.67 1 33 GLU 4.76 2.94 1 34 LEU 4.46 3.08 1 35 SER 4.39 2.81 1 36 ALA 0.32 -0.78 1 37 TYR 6.80 5.48 1 38 THR 4.04 3.21 1 39 GLN 4.42 2.91 1 40 LYS 2.32 1.83 1 41 LEU 0.26 0.13 1 42 ALA -0.17 -0.38 1 43 ASP 3.07 2.18 1 44 GLN -0.51 -0.37 1 45 ASN -0.74 0.72 1 46 LEU 0.95 0.00 1 48 ASP 4.63 4.45 1 49 LYS 4.39 1.92 1 50 ILE 3.72 2.51 1 51 GLU 4.98 4.47 1 52 TYR 2.52 2.60 1 53 LEU 5.81 4.64 1 54 LYS 4.29 3.84 1 55 ASP 5.92 3.83 1 56 ILE 7.77 5.61 1 57 SER 5.55 5.01 1 58 HIS 3.22 2.73 1 59 ALA -0.33 1.84 1 60 LEU 4.74 3.38 1 61 LYS 2.79 1.68 1 62 SER 4.20 3.27 1 63 SER 3.78 2.85 1 64 ALA 2.86 2.31 1 65 ALA 4.61 3.48 1 66 SER 0.84 0.46 1 69 ALA 5.57 4.46 1 70 ASP 4.77 4.52 1 71 LYS 3.26 2.49 1 72 LEU 3.86 2.73 1 74 ALA 3.13 1.49 1 75 LYS 3.65 2.74 1 76 ALA 5.59 4.66 1 77 VAL 2.67 3.92 1 78 ASP 5.74 3.50 1 79 ILE 0.77 3.26 1 80 ASP 4.13 3.39 1 81 SER 3.33 3.58 1 82 LYS 2.69 2.14 1 84 LYS -1.06 -0.87 1 85 ALA 2.90 1.18 1 86 ASN 1.32 -0.07 1 88 ILE -2.00 -0.43 1 89 PHE -0.51 -0.88 1 90 ASP 3.67 4.35 1 91 GLU 3.64 2.85 1 92 ALA 2.66 2.45 1 93 GLU 2.46 1.74 1 94 GLU 6.35 5.33 1 95 VAL 4.35 2.47 1 96 ALA 2.96 2.35 1 97 ALA 2.73 2.60 1 98 MET 5.42 4.76 1 99 ARG 3.62 2.62 1 100 ALA 2.01 2.20 1 101 LEU 7.12 6.26 1 102 ILE 4.30 3.68 1 103 GLU 1.35 2.36 1 104 GLU 7.04 6.88 1 105 THR 4.70 6.56 1 106 HIS 4.50 4.05 1 107 ARG 3.93 4.58 1 109 TYR 1.45 1.18 1 111 HIS 1.85 2.29 1 112 LEU -0.13 -0.87 1 113 MET 1.86 2.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19006_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.00 _LACS_plot.Line_1_terminator_val_y_1 1.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 7.76 _LACS_plot.Line_2_terminator_val_y_2 -1.67 _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 67 PHE 0.52 -2.92 0 10 LYS 3.08 -0.69 1 11 ILE 4.57 -1.57 1 12 ALA 3.90 -1.34 1 13 HIS 4.21 -0.18 1 14 LEU 3.55 -0.55 1 15 ALA 3.39 -0.67 1 16 GLN 3.43 -0.89 1 17 GLU 1.48 0.89 1 18 ILE -1.15 1.27 1 20 GLU 3.86 -0.08 1 21 GLU 3.05 -1.38 1 22 ASN 0.24 0.76 1 23 VAL 3.49 -0.70 1 25 ILE 3.42 -0.99 1 26 LEU 3.26 -0.70 1 27 LEU 3.70 -0.04 1 28 ASP 4.73 -0.66 1 29 ILE 1.91 -0.23 1 30 PHE 4.76 -1.65 1 31 LEU 4.95 -1.39 1 32 SER 4.15 -1.48 1 33 GLU 4.76 -1.82 1 34 LEU 4.46 -1.38 1 35 SER 4.39 -1.58 1 36 ALA 0.32 -1.10 1 37 TYR 6.80 -1.32 1 38 THR 4.04 -0.83 1 39 GLN 4.42 -1.51 1 40 LYS 2.32 -0.49 1 41 LEU 0.26 -0.13 1 42 ALA -0.17 -0.21 1 43 ASP 3.07 -0.89 1 44 GLN -0.51 0.14 1 45 ASN -0.74 1.46 1 46 LEU 0.95 -0.95 1 48 ASP 4.63 -0.18 1 49 LYS 4.39 -2.47 1 50 ILE 3.72 -1.21 1 51 GLU 4.98 -0.51 1 52 TYR 2.52 0.08 1 53 LEU 5.81 -1.17 1 54 LYS 4.29 -0.45 1 55 ASP 5.92 -2.09 1 56 ILE 7.77 -2.16 1 57 SER 5.55 -0.54 1 58 HIS 3.22 -0.49 1 59 ALA -0.33 2.17 1 60 LEU 4.74 -1.36 1 61 LYS 2.79 -1.11 1 62 SER 4.20 -0.93 1 63 SER 3.78 -0.93 1 64 ALA 2.86 -0.55 1 65 ALA 4.61 -1.13 1 66 SER 0.84 -0.38 1 69 ALA 5.57 -1.11 1 70 ASP 4.77 -0.25 1 71 LYS 3.26 -0.77 1 72 LEU 3.86 -1.13 1 74 ALA 3.13 -1.64 1 75 LYS 3.65 -0.91 1 76 ALA 5.59 -0.93 1 77 VAL 2.67 1.25 1 78 ASP 5.74 -2.24 1 79 ILE 0.77 2.49 1 80 ASP 4.13 -0.74 1 81 SER 3.33 0.25 1 82 LYS 2.69 -0.55 1 84 LYS -1.06 0.19 1 85 ALA 2.90 -1.72 1 86 ASN 1.32 -1.39 1 88 ILE -2.00 1.57 1 89 PHE -0.51 -0.37 1 90 ASP 3.67 0.68 1 91 GLU 3.64 -0.79 1 92 ALA 2.66 -0.21 1 93 GLU 2.46 -0.72 1 94 GLU 6.35 -1.02 1 95 VAL 4.35 -1.88 1 96 ALA 2.96 -0.61 1 97 ALA 2.73 -0.13 1 98 MET 5.42 -0.66 1 99 ARG 3.62 -1.00 1 100 ALA 2.01 0.19 1 101 LEU 7.12 -0.86 1 102 ILE 4.30 -0.62 1 103 GLU 1.35 1.01 1 104 GLU 7.04 -0.16 1 105 THR 4.70 1.86 1 106 HIS 4.50 -0.45 1 107 ARG 3.93 0.65 1 109 TYR 1.45 -0.27 1 111 HIS 1.85 0.44 1 112 LEU -0.13 -0.74 1 113 MET 1.86 0.67 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19006_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.00 _LACS_plot.Line_1_terminator_val_y_1 -0.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.10 _LACS_plot.Line_2_terminator_val_x_2 7.76 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 PHE 0.52 0.94 0 10 LYS 3.08 -0.40 1 11 ILE 4.57 -0.62 1 12 ALA 3.90 -0.40 1 13 HIS 4.21 -0.35 1 14 LEU 3.55 -0.53 1 15 ALA 3.39 -0.96 1 16 GLN 3.43 -0.56 1 17 GLU 1.48 -0.47 1 18 ILE -1.15 0.12 1 20 GLU 3.86 -0.75 1 21 GLU 3.05 -0.39 1 22 ASN 0.24 -0.02 1 23 VAL 3.49 -0.53 1 25 ILE 3.42 -0.66 1 26 LEU 3.26 -0.84 1 27 LEU 3.70 -0.51 1 28 ASP 4.73 -0.70 1 29 ILE 1.91 -0.30 1 30 PHE 4.76 -1.09 1 31 LEU 4.95 -0.58 1 32 SER 4.15 -0.90 1 33 GLU 4.76 -0.94 1 34 LEU 4.46 -0.58 1 35 SER 4.39 -0.27 1 36 ALA 0.32 0.43 1 37 TYR 6.80 -0.30 1 38 THR 4.04 -0.60 1 39 GLN 4.42 -0.47 1 40 LYS 2.32 -0.60 1 41 LEU 0.26 -0.44 1 42 ALA -0.17 -0.37 1 43 ASP 3.07 -0.47 1 44 GLN -0.51 -0.25 1 45 ASN -0.74 -0.31 1 46 LEU 0.95 -0.33 1 48 ASP 4.63 -0.78 1 49 LYS 4.39 -0.65 1 50 ILE 3.72 -0.41 1 51 GLU 4.98 -0.55 1 52 TYR 2.52 -0.78 1 53 LEU 5.81 -0.46 1 54 LYS 4.29 -0.50 1 55 ASP 5.92 -0.78 1 56 ILE 7.77 -0.70 1 57 SER 5.55 -0.98 1 58 HIS 3.22 -0.42 1 59 ALA -0.33 0.06 1 60 LEU 4.74 -0.42 1 61 LYS 2.79 -0.10 1 62 SER 4.20 -0.84 1 63 SER 3.78 -0.51 1 64 ALA 2.86 -0.29 1 65 ALA 4.61 -0.63 1 66 SER 0.84 -0.47 1 69 ALA 5.57 -0.44 1 70 ASP 4.77 -0.63 1 71 LYS 3.26 -0.40 1 72 LEU 3.86 -0.47 1 74 ALA 3.13 0.01 1 75 LYS 3.65 -0.31 1 76 ALA 5.59 -0.90 1 77 VAL 2.67 -0.67 1 78 ASP 5.74 -0.83 1 79 ILE 0.77 -0.42 1 80 ASP 4.13 -0.53 1 81 SER 3.33 -0.52 1 82 LYS 2.69 -0.39 1 84 LYS -1.06 -0.12 1 85 ALA 2.90 -0.53 1 86 ASN 1.32 -0.37 1 88 ILE -2.00 -0.18 1 89 PHE -0.51 -0.11 1 90 ASP 3.67 -0.97 1 91 GLU 3.64 -0.26 1 92 ALA 2.66 -0.51 1 93 GLU 2.46 -0.73 1 94 GLU 6.35 -0.88 1 95 VAL 4.35 -0.38 1 96 ALA 2.96 -0.37 1 97 ALA 2.73 -0.49 1 98 MET 5.42 -0.71 1 99 ARG 3.62 -0.32 1 100 ALA 2.01 -0.18 1 101 LEU 7.12 -0.85 1 102 ILE 4.30 -0.73 1 103 GLU 1.35 -0.50 1 104 GLU 7.04 -0.18 1 105 THR 4.70 -0.30 1 106 HIS 4.50 -0.55 1 107 ARG 3.93 -0.16 1 109 TYR 1.45 -0.22 1 111 HIS 1.85 -1.03 1 112 LEU -0.13 -0.14 1 113 MET 1.86 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19006_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.00 _LACS_plot.Line_1_terminator_val_y_1 -0.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.29 _LACS_plot.Line_2_terminator_val_x_2 7.76 _LACS_plot.Line_2_terminator_val_y_2 2.18 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 ILE -2.00 -1.15 0 56 ILE 7.77 0.08 0 113 MET 1.86 4.34 0 10 LYS 3.08 2.07 1 11 ILE 4.57 0.20 1 12 ALA 3.90 2.17 1 13 HIS 4.21 2.33 1 14 LEU 3.55 0.29 1 15 ALA 3.39 1.53 1 16 GLN 3.43 0.95 1 17 GLU 1.48 1.53 1 18 ILE -1.15 -0.27 1 20 GLU 3.86 1.60 1 21 GLU 3.05 -0.07 1 22 ASN 0.24 0.23 1 23 VAL 3.49 1.51 1 25 ILE 3.42 1.97 1 26 LEU 3.26 -0.22 1 27 LEU 3.70 2.35 1 28 ASP 4.73 1.46 1 29 ILE 1.91 0.98 1 30 PHE 4.76 1.56 1 31 LEU 4.95 1.91 1 32 SER 4.15 -0.22 1 33 GLU 4.76 1.80 1 34 LEU 4.46 1.20 1 35 SER 4.39 2.35 1 36 ALA 0.32 3.02 1 37 TYR 6.80 0.65 1 38 THR 4.04 2.43 1 39 GLN 4.42 1.49 1 40 LYS 2.32 0.83 1 41 LEU 0.26 -1.40 1 42 ALA -0.17 1.13 1 43 ASP 3.07 0.06 1 44 GLN -0.51 -1.09 1 45 ASN -0.74 -1.52 1 46 LEU 0.95 0.03 1 48 ASP 4.63 1.33 1 49 LYS 4.39 0.38 1 50 ILE 3.72 1.63 1 51 GLU 4.98 0.80 1 52 TYR 2.52 2.20 1 53 LEU 5.81 1.88 1 54 LYS 4.29 3.29 1 55 ASP 5.92 1.59 1 57 SER 5.55 2.00 1 58 HIS 3.22 2.86 1 59 ALA -0.33 0.52 1 60 LEU 4.74 -0.47 1 61 LYS 2.79 1.31 1 62 SER 4.20 1.35 1 63 SER 3.78 2.44 1 64 ALA 2.86 2.65 1 65 ALA 4.61 -0.82 1 66 SER 0.84 -0.05 1 67 PHE 0.52 -0.62 1 69 ALA 5.57 2.03 1 70 ASP 4.77 1.83 1 71 LYS 3.26 -0.97 1 72 LEU 3.86 2.17 1 74 ALA 3.13 0.18 1 75 LYS 3.65 1.14 1 76 ALA 5.59 1.62 1 77 VAL 2.67 1.09 1 78 ASP 5.74 1.13 1 79 ILE 0.77 1.94 1 80 ASP 4.13 2.30 1 81 SER 3.33 2.40 1 82 LYS 2.69 -0.13 1 84 LYS -1.06 -1.87 1 85 ALA 2.90 -1.01 1 86 ASN 1.32 -1.33 1 89 PHE -0.51 -1.44 1 90 ASP 3.67 -0.48 1 91 GLU 3.64 2.99 1 92 ALA 2.66 2.37 1 93 GLU 2.46 2.69 1 94 GLU 6.35 0.54 1 95 VAL 4.35 1.36 1 96 ALA 2.96 2.86 1 97 ALA 2.73 0.59 1 98 MET 5.42 0.92 1 99 ARG 3.62 1.73 1 100 ALA 2.01 2.80 1 101 LEU 7.12 0.45 1 102 ILE 4.30 2.64 1 103 GLU 1.35 0.22 1 104 GLU 7.04 0.08 1 105 THR 4.70 2.28 1 106 HIS 4.50 1.86 1 107 ARG 3.93 1.69 1 109 TYR 1.45 0.77 1 111 HIS 1.85 -0.54 1 112 LEU -0.13 -1.53 1 stop_ save_