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 bmr16955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.25 _LACS_plot.Line_1_terminator_val_y_1 -2.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 7.96 _LACS_plot.Line_2_terminator_val_y_2 6.11 _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 31 GLN -1.08 2.97 0 51 ASP 0.74 -2.44 0 57 PHE -6.25 -1.92 0 10 ASP 4.46 2.92 1 11 ILE 5.41 5.13 1 12 ALA 4.08 2.81 1 13 ALA 3.71 2.49 1 14 ALA 3.89 2.51 1 15 LEU 3.19 2.37 1 16 ARG 4.06 3.27 1 17 ASP 0.52 2.53 1 19 GLN 3.97 3.76 1 20 ALA 0.14 -0.26 1 22 ASP 7.35 4.69 1 23 SER -0.63 0.81 1 24 PHE 1.08 1.65 1 25 SER -3.75 -3.22 1 27 LYS 5.05 3.37 1 28 LYS 4.07 2.88 1 29 PHE 4.12 4.27 1 30 PHE 2.96 0.51 1 32 ILE 4.10 4.04 1 33 SER 2.67 2.75 1 35 MET 3.03 4.94 1 36 SER 3.08 2.53 1 37 LYS -0.80 -1.00 1 38 LYS -0.71 -2.55 1 39 SER -3.23 -1.21 1 40 SER 5.40 3.87 1 41 SER 5.18 3.59 1 42 GLN 3.32 3.27 1 43 LEU 3.82 2.83 1 44 LYS 4.39 3.04 1 45 GLU 3.94 2.84 1 46 ILE 5.65 4.67 1 47 PHE 5.74 4.93 1 48 ARG 3.94 3.32 1 49 ILE 3.20 2.65 1 50 LEU 1.91 1.47 1 52 ASN 1.99 3.74 1 53 ASP -0.16 -1.59 1 54 GLN 4.72 1.39 1 55 SER 0.51 1.11 1 58 ILE -0.32 -0.93 1 59 GLU 1.21 0.71 1 60 GLU 5.02 4.69 1 61 ASP 3.26 2.97 1 62 GLU 0.49 1.14 1 63 LEU 2.05 1.61 1 64 LYS 4.31 2.74 1 65 TYR 1.08 0.25 1 66 PHE 2.68 5.09 1 67 LEU 3.72 2.41 1 68 GLN 3.03 1.01 1 69 ARG 2.69 -0.28 1 70 PHE 2.54 2.06 1 71 GLU -3.00 0.11 1 72 SER 4.31 3.43 1 74 ALA -2.47 -0.68 1 75 ARG -0.94 -1.18 1 76 VAL -0.27 -0.55 1 77 LEU 0.24 0.02 1 78 THR -2.37 -1.11 1 79 ALA 4.17 2.90 1 80 SER 4.36 3.16 1 81 GLU 1.23 2.70 1 82 THR 7.96 5.96 1 83 LYS 4.18 3.43 1 84 THR 5.49 4.51 1 85 PHE 1.91 0.89 1 86 LEU 4.28 3.89 1 87 ALA 2.97 2.08 1 88 ALA 1.43 1.31 1 89 ALA -2.88 0.49 1 90 ASP 1.21 -0.11 1 91 HIS 0.76 1.87 1 92 ASP 0.52 -0.80 1 94 ASP 0.09 -0.80 1 96 LYS -5.40 -2.22 1 97 ILE -1.44 -0.46 1 99 ALA 4.77 3.50 1 100 GLU 5.25 3.26 1 101 GLU 5.19 3.27 1 102 PHE 4.13 4.36 1 103 GLN 5.43 4.12 1 104 GLU 2.78 2.34 1 105 MET 3.85 2.81 1 106 VAL 4.47 2.72 1 107 GLN 1.46 1.03 1 108 SER 1.40 2.58 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.25 _LACS_plot.Line_1_terminator_val_y_1 4.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 7.96 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _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 31 GLN -1.08 4.05 0 51 ASP 0.74 -3.18 0 57 PHE -6.25 4.33 0 10 ASP 4.46 -1.54 1 11 ILE 5.41 -0.28 1 12 ALA 4.08 -1.27 1 13 ALA 3.71 -1.22 1 14 ALA 3.89 -1.38 1 15 LEU 3.19 -0.82 1 16 ARG 4.06 -0.79 1 17 ASP 0.52 2.01 1 19 GLN 3.97 -0.21 1 20 ALA 0.14 -0.40 1 22 ASP 7.35 -2.66 1 23 SER -0.63 1.44 1 24 PHE 1.08 0.57 1 25 SER -3.75 0.53 1 27 LYS 5.05 -1.68 1 28 LYS 4.07 -1.19 1 29 PHE 4.12 0.15 1 30 PHE 2.96 -2.45 1 32 ILE 4.10 -0.06 1 33 SER 2.67 0.08 1 35 MET 3.03 1.91 1 36 SER 3.08 -0.55 1 37 LYS -0.80 -0.20 1 38 LYS -0.71 -1.84 1 39 SER -3.23 2.02 1 40 SER 5.40 -1.53 1 41 SER 5.18 -1.59 1 42 GLN 3.32 -0.05 1 43 LEU 3.82 -0.99 1 44 LYS 4.39 -1.35 1 45 GLU 3.94 -1.10 1 46 ILE 5.65 -0.98 1 47 PHE 5.74 -0.81 1 48 ARG 3.94 -0.62 1 49 ILE 3.20 -0.55 1 50 LEU 1.91 -0.44 1 52 ASN 1.99 1.75 1 53 ASP -0.16 -1.43 1 54 GLN 4.72 -3.33 1 55 SER 0.51 0.60 1 58 ILE -0.32 -0.61 1 59 GLU 1.21 -0.50 1 60 GLU 5.02 -0.33 1 61 ASP 3.26 -0.29 1 62 GLU 0.49 0.65 1 63 LEU 2.05 -0.44 1 64 LYS 4.31 -1.57 1 65 TYR 1.08 -0.83 1 66 PHE 2.68 2.41 1 67 LEU 3.72 -1.31 1 68 GLN 3.03 -2.02 1 69 ARG 2.69 -2.97 1 70 PHE 2.54 -0.48 1 71 GLU -3.00 3.11 1 72 SER 4.31 -0.88 1 74 ALA -2.47 1.79 1 75 ARG -0.94 -0.24 1 76 VAL -0.27 -0.28 1 77 LEU 0.24 -0.22 1 78 THR -2.37 1.26 1 79 ALA 4.17 -1.27 1 80 SER 4.36 -1.20 1 81 GLU 1.23 1.47 1 82 THR 7.96 -2.00 1 83 LYS 4.18 -0.75 1 84 THR 5.49 -0.98 1 85 PHE 1.91 -1.02 1 86 LEU 4.28 -0.39 1 87 ALA 2.97 -0.89 1 88 ALA 1.43 -0.12 1 89 ALA -2.88 3.37 1 90 ASP 1.21 -1.32 1 91 HIS 0.76 1.11 1 92 ASP 0.52 -1.32 1 94 ASP 0.09 -0.89 1 96 LYS -5.40 3.18 1 97 ILE -1.44 0.98 1 99 ALA 4.77 -1.27 1 100 GLU 5.25 -1.99 1 101 GLU 5.19 -1.92 1 102 PHE 4.13 0.23 1 103 GLN 5.43 -1.31 1 104 GLU 2.78 -0.44 1 105 MET 3.85 -1.04 1 106 VAL 4.47 -1.75 1 107 GLN 1.46 -0.43 1 108 SER 1.40 1.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.25 _LACS_plot.Line_1_terminator_val_y_1 0.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _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 7.96 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 99 ALA 4.77 -1.69 0 10 ASP 4.46 -0.17 1 11 ILE 5.41 -1.01 1 12 ALA 4.08 -0.30 1 13 ALA 3.71 -0.34 1 14 ALA 3.89 -0.64 1 15 LEU 3.19 -0.11 1 16 ARG 4.06 -0.26 1 17 ASP 0.52 -0.19 1 19 GLN 3.97 -0.19 1 20 ALA 0.14 0.01 1 22 ASP 7.35 -0.13 1 23 SER -0.63 0.06 1 24 PHE 1.08 -0.24 1 25 SER -3.75 -0.28 1 27 LYS 5.05 -0.59 1 28 LYS 4.07 -0.31 1 29 PHE 4.12 -0.70 1 30 PHE 2.96 0.04 1 31 GLN -1.08 -0.12 1 32 ILE 4.10 -0.64 1 33 SER 2.67 -0.96 1 35 MET 3.03 -0.81 1 36 SER 3.08 -0.41 1 37 LYS -0.80 0.26 1 38 LYS -0.71 0.19 1 39 SER -3.23 0.00 1 40 SER 5.40 -0.52 1 41 SER 5.18 -0.31 1 42 GLN 3.32 -0.13 1 43 LEU 3.82 -0.18 1 44 LYS 4.39 -0.13 1 45 GLU 3.94 -0.20 1 46 ILE 5.65 -0.64 1 47 PHE 5.74 -1.56 1 48 ARG 3.94 -0.47 1 49 ILE 3.20 -0.61 1 50 LEU 1.91 -0.58 1 51 ASP 0.74 -0.21 1 52 ASN 1.99 -0.57 1 53 ASP -0.16 -0.11 1 54 GLN 4.72 -0.52 1 55 SER 0.51 -0.13 1 57 PHE -6.25 0.61 1 58 ILE -0.32 0.64 1 59 GLU 1.21 0.18 1 60 GLU 5.02 -0.78 1 61 ASP 3.26 -0.34 1 62 GLU 0.49 -0.07 1 63 LEU 2.05 -0.50 1 64 LYS 4.31 -0.45 1 65 TYR 1.08 -0.06 1 66 PHE 2.68 -0.73 1 67 LEU 3.72 -0.45 1 68 GLN 3.03 0.29 1 69 ARG 2.69 -0.45 1 70 PHE 2.54 -0.54 1 71 GLU -3.00 0.02 1 72 SER 4.31 -0.19 1 74 ALA -2.47 0.00 1 75 ARG -0.94 0.18 1 76 VAL -0.27 -0.11 1 77 LEU 0.24 0.13 1 78 THR -2.37 -0.07 1 79 ALA 4.17 -0.10 1 80 SER 4.36 -0.22 1 81 GLU 1.23 -0.25 1 82 THR 7.96 -0.70 1 83 LYS 4.18 -0.36 1 84 THR 5.49 -0.39 1 85 PHE 1.91 -0.32 1 86 LEU 4.28 -0.56 1 87 ALA 2.97 -0.19 1 88 ALA 1.43 -0.09 1 89 ALA -2.88 0.13 1 90 ASP 1.21 0.02 1 91 HIS 0.76 -0.08 1 92 ASP 0.52 -0.01 1 94 ASP 0.09 -0.17 1 96 LYS -5.40 0.42 1 97 ILE -1.44 0.82 1 100 GLU 5.25 -0.35 1 101 GLU 5.19 -0.34 1 102 PHE 4.13 -0.62 1 103 GLN 5.43 -0.92 1 104 GLU 2.78 -0.41 1 105 MET 3.85 -0.31 1 106 VAL 4.47 -1.16 1 107 GLN 1.46 -0.07 1 108 SER 1.40 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16955_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.25 _LACS_plot.Line_1_terminator_val_y_1 -1.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 7.96 _LACS_plot.Line_2_terminator_val_y_2 2.52 _LACS_plot.Y_axis_chem_shift_offset -0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 LYS -5.40 -1.80 0 57 PHE -6.25 -1.30 0 22 ASP 7.35 -1.00 0 10 ASP 4.46 2.10 1 11 ILE 5.41 0.80 1 12 ALA 4.08 3.00 1 13 ALA 3.71 2.30 1 14 ALA 3.89 2.30 1 15 LEU 3.19 2.70 1 16 ARG 4.06 2.90 1 17 ASP 0.52 -0.40 1 19 GLN 3.97 0.80 1 20 ALA 0.14 0.40 1 23 SER -0.63 0.90 1 24 PHE 1.08 -1.30 1 25 SER -3.75 -0.80 1 27 LYS 5.05 2.80 1 28 LYS 4.07 1.40 1 29 PHE 4.12 5.00 1 30 PHE 2.96 1.60 1 31 GLN -1.08 3.40 1 32 ILE 4.10 1.40 1 33 SER 2.67 -0.80 1 35 MET 3.03 0.70 1 36 SER 3.08 0.10 1 37 LYS -0.80 0.40 1 38 LYS -0.71 -0.90 1 39 SER -3.23 0.50 1 40 SER 5.40 2.60 1 41 SER 5.18 3.00 1 42 GLN 3.32 2.80 1 43 LEU 3.82 1.60 1 44 LYS 4.39 2.10 1 45 GLU 3.94 2.60 1 46 ILE 5.65 0.70 1 47 PHE 5.74 0.00 1 48 ARG 3.94 1.80 1 49 ILE 3.20 0.80 1 50 LEU 1.91 0.80 1 51 ASP 0.74 0.30 1 52 ASN 1.99 0.50 1 53 ASP -0.16 -0.10 1 54 GLN 4.72 -0.20 1 55 SER 0.51 1.50 1 58 ILE -0.32 0.30 1 59 GLU 1.21 1.00 1 60 GLU 5.02 1.50 1 61 ASP 3.26 1.30 1 62 GLU 0.49 3.90 1 63 LEU 2.05 0.40 1 64 LYS 4.31 1.00 1 65 TYR 1.08 -1.60 1 66 PHE 2.68 0.00 1 67 LEU 3.72 2.70 1 68 GLN 3.03 2.00 1 69 ARG 2.69 -0.10 1 70 PHE 2.54 0.20 1 71 GLU -3.00 -0.90 1 72 SER 4.31 0.70 1 74 ALA -2.47 -1.90 1 75 ARG -0.94 -0.50 1 76 VAL -0.27 1.00 1 77 LEU 0.24 0.50 1 78 THR -2.37 1.30 1 79 ALA 4.17 2.70 1 80 SER 4.36 3.00 1 81 GLU 1.23 3.20 1 82 THR 7.96 1.50 1 83 LYS 4.18 3.20 1 84 THR 5.49 1.90 1 85 PHE 1.91 1.90 1 86 LEU 4.28 0.30 1 87 ALA 2.97 2.10 1 88 ALA 1.43 0.70 1 89 ALA -2.88 0.70 1 90 ASP 1.21 0.10 1 91 HIS 0.76 2.10 1 92 ASP 0.52 1.80 1 94 ASP 0.09 1.30 1 97 ILE -1.44 0.00 1 99 ALA 4.77 2.70 1 100 GLU 5.25 2.60 1 101 GLU 5.19 3.40 1 102 PHE 4.13 -0.50 1 103 GLN 5.43 1.00 1 104 GLU 2.78 2.30 1 105 MET 3.85 1.60 1 106 VAL 4.47 0.90 1 107 GLN 1.46 -0.10 1 108 SER 1.40 4.60 1 stop_ save_