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 bmr16272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 -3.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 5.36 _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 20 VAL -7.34 -4.50 0 55 PHE 0.23 -2.08 0 13 HIS 2.45 4.84 0 10 ALA 3.84 2.80 1 11 VAL 4.51 3.85 1 12 ILE 4.90 4.20 1 14 GLN -1.00 -0.01 1 15 ILE 1.20 1.42 1 17 LYS 1.86 1.41 1 19 LYS -6.45 -3.54 1 21 SER -4.08 -2.29 1 22 THR -6.78 -3.98 1 23 TYR 4.82 3.62 1 25 GLU 3.91 3.37 1 26 ILE 4.52 1.12 1 27 ALA 5.83 3.79 1 28 LYS 4.85 4.40 1 29 MET 2.84 4.01 1 30 ALA -1.65 -0.05 1 32 TYR -0.92 -0.28 1 35 TYR 3.08 0.09 1 36 ALA 4.43 4.77 1 37 ARG 4.46 2.83 1 38 HIS 1.61 3.88 1 39 VAL 5.92 4.72 1 41 LYS 3.35 2.66 1 42 ALA 2.56 2.36 1 43 LEU 2.27 1.03 1 45 ASN -1.37 -0.79 1 46 LEU 0.35 0.07 1 48 GLU 2.22 1.76 1 50 SER 1.12 1.46 1 51 LYS 0.84 -0.17 1 52 LEU -1.30 0.26 1 54 TRP 0.33 0.63 1 56 ARG 2.08 1.20 1 57 VAL 1.08 -0.65 1 58 ILE -3.12 -1.74 1 59 ASN -1.85 -1.32 1 60 SER 3.86 3.35 1 61 GLN 0.81 0.13 1 63 LYS -4.60 -1.97 1 64 ILE 0.32 1.47 1 65 SER 0.05 1.01 1 66 LEU -0.44 -0.29 1 67 LYS -4.31 -1.39 1 69 ARG 3.40 2.27 1 70 ASP 2.78 3.04 1 71 LEU 6.20 3.87 1 72 ASP 3.93 3.38 1 73 ARG 3.64 3.62 1 74 GLN 6.97 5.07 1 75 LYS 3.76 4.44 1 76 GLN 4.71 3.68 1 77 LYS 4.13 2.23 1 78 LEU 3.56 2.70 1 79 GLU 3.10 2.49 1 80 ALA 2.78 1.66 1 81 GLU -0.31 -1.31 1 83 ILE 1.28 -0.13 1 84 GLU -0.59 -0.27 1 85 VAL -3.36 -1.90 1 86 SER -2.29 -0.60 1 87 GLU 3.53 2.93 1 88 ILE 0.25 -0.54 1 90 LYS -1.57 -0.11 1 91 ILE -3.45 -0.38 1 92 ALA 0.84 -0.84 1 93 LEU 3.55 3.02 1 94 ARG 4.46 3.09 1 95 LYS 0.32 1.48 1 96 TYR -1.44 1.25 1 97 LYS 2.41 1.81 1 98 TRP -1.11 -1.30 1 99 GLN -1.97 -1.33 1 101 LEU 0.35 0.03 1 102 GLU -0.33 0.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 3.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -1.61 _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 20 VAL -7.34 2.84 0 55 PHE 0.23 -2.31 0 13 HIS 2.45 2.39 0 10 ALA 3.84 -1.04 1 11 VAL 4.51 -0.66 1 12 ILE 4.90 -0.70 1 14 GLN -1.00 0.99 1 15 ILE 1.20 0.22 1 17 LYS 1.86 -0.45 1 19 LYS -6.45 2.91 1 21 SER -4.08 1.79 1 22 THR -6.78 2.80 1 23 TYR 4.82 -1.20 1 25 GLU 3.91 -0.54 1 26 ILE 4.52 -3.40 1 27 ALA 5.83 -2.04 1 28 LYS 4.85 -0.45 1 29 MET 2.84 1.17 1 30 ALA -1.65 1.60 1 32 TYR -0.92 0.64 1 35 TYR 3.08 -2.99 1 36 ALA 4.43 0.34 1 37 ARG 4.46 -1.63 1 38 HIS 1.61 2.27 1 39 VAL 5.92 -1.20 1 41 LYS 3.35 -0.69 1 42 ALA 2.56 -0.20 1 43 LEU 2.27 -1.24 1 45 ASN -1.37 0.58 1 46 LEU 0.35 -0.28 1 48 GLU 2.22 -0.46 1 50 SER 1.12 0.34 1 51 LYS 0.84 -1.01 1 52 LEU -1.30 1.56 1 54 TRP 0.33 0.30 1 56 ARG 2.08 -0.88 1 57 VAL 1.08 -1.73 1 58 ILE -3.12 1.38 1 59 ASN -1.85 0.53 1 60 SER 3.86 -0.51 1 61 GLN 0.81 -0.68 1 63 LYS -4.60 2.63 1 64 ILE 0.32 1.15 1 65 SER 0.05 0.96 1 66 LEU -0.44 0.15 1 67 LYS -4.31 2.92 1 69 ARG 3.40 -1.13 1 70 ASP 2.78 0.26 1 71 LEU 6.20 -2.33 1 72 ASP 3.93 -0.55 1 73 ARG 3.64 -0.02 1 74 GLN 6.97 -1.90 1 75 LYS 3.76 0.68 1 76 GLN 4.71 -1.03 1 77 LYS 4.13 -1.90 1 78 LEU 3.56 -0.86 1 79 GLU 3.10 -0.61 1 80 ALA 2.78 -1.12 1 81 GLU -0.31 -1.00 1 83 ILE 1.28 -1.41 1 84 GLU -0.59 0.32 1 85 VAL -3.36 1.46 1 86 SER -2.29 1.69 1 87 GLU 3.53 -0.60 1 88 ILE 0.25 -0.79 1 90 LYS -1.57 1.46 1 91 ILE -3.45 3.07 1 92 ALA 0.84 -1.68 1 93 LEU 3.55 -0.53 1 94 ARG 4.46 -1.37 1 95 LYS 0.32 1.16 1 96 TYR -1.44 2.69 1 97 LYS 2.41 -0.60 1 98 TRP -1.11 -0.19 1 99 GLN -1.97 0.64 1 101 LEU 0.35 -0.32 1 102 GLU -0.33 0.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _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 15 ILE 1.20 -2.35 0 10 ALA 3.84 -0.07 1 11 VAL 4.51 -0.16 1 12 ILE 4.90 -0.71 1 13 HIS 2.45 -0.74 1 14 GLN -1.00 -0.31 1 17 LYS 1.86 -0.40 1 19 LYS -6.45 1.08 1 20 VAL -7.34 1.32 1 21 SER -4.08 0.34 1 22 THR -6.78 1.53 1 23 TYR 4.82 -0.47 1 25 GLU 3.91 -0.13 1 26 ILE 4.52 -0.29 1 27 ALA 5.83 -0.48 1 28 LYS 4.85 -0.66 1 29 MET 2.84 -0.41 1 30 ALA -1.65 -0.06 1 32 TYR -0.92 -0.25 1 35 TYR 3.08 0.38 1 36 ALA 4.43 -0.42 1 37 ARG 4.46 -0.34 1 38 HIS 1.61 -0.46 1 39 VAL 5.92 -0.35 1 41 LYS 3.35 -0.30 1 42 ALA 2.56 -0.08 1 43 LEU 2.27 -0.10 1 45 ASN -1.37 0.14 1 46 LEU 0.35 -0.21 1 48 GLU 2.22 -0.27 1 50 SER 1.12 -0.25 1 51 LYS 0.84 0.18 1 52 LEU -1.30 -0.63 1 54 TRP 0.33 -1.01 1 55 PHE 0.23 -0.96 1 56 ARG 2.08 -0.19 1 57 VAL 1.08 0.04 1 58 ILE -3.12 0.64 1 59 ASN -1.85 0.35 1 60 SER 3.86 -0.22 1 61 GLN 0.81 0.13 1 63 LYS -4.60 0.87 1 64 ILE 0.32 -0.01 1 65 SER 0.05 0.16 1 66 LEU -0.44 0.11 1 67 LYS -4.31 0.43 1 69 ARG 3.40 -0.06 1 70 ASP 2.78 -0.01 1 71 LEU 6.20 -0.40 1 72 ASP 3.93 -0.36 1 73 ARG 3.64 -0.19 1 74 GLN 6.97 -0.67 1 75 LYS 3.76 -0.63 1 76 GLN 4.71 -0.26 1 77 LYS 4.13 -0.74 1 78 LEU 3.56 -0.44 1 79 GLU 3.10 -0.09 1 80 ALA 2.78 -0.12 1 81 GLU -0.31 0.10 1 83 ILE 1.28 -0.91 1 84 GLU -0.59 -0.12 1 85 VAL -3.36 0.29 1 86 SER -2.29 0.28 1 87 GLU 3.53 -0.27 1 88 ILE 0.25 0.40 1 90 LYS -1.57 0.61 1 91 ILE -3.45 0.21 1 92 ALA 0.84 0.27 1 93 LEU 3.55 -0.45 1 94 ARG 4.46 -0.30 1 95 LYS 0.32 -0.18 1 96 TYR -1.44 0.24 1 97 LYS 2.41 0.13 1 98 TRP -1.11 0.11 1 99 GLN -1.97 0.00 1 101 LEU 0.35 -0.09 1 102 GLU -0.33 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 -2.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 2.58 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 ARG 2.08 -3.98 0 22 THR -6.78 1.84 0 10 ALA 3.84 3.15 1 11 VAL 4.51 1.90 1 12 ILE 4.90 0.91 1 13 HIS 2.45 2.61 1 14 GLN -1.00 -0.83 1 15 ILE 1.20 -0.07 1 17 LYS 1.86 1.90 1 19 LYS -6.45 -2.94 1 20 VAL -7.34 0.02 1 21 SER -4.08 -0.29 1 23 TYR 4.82 2.63 1 25 GLU 3.91 2.34 1 26 ILE 4.52 1.22 1 27 ALA 5.83 1.13 1 28 LYS 4.85 3.91 1 29 MET 2.84 1.36 1 30 ALA -1.65 -1.96 1 32 TYR -0.92 -2.52 1 35 TYR 3.08 0.20 1 36 ALA 4.43 2.33 1 37 ARG 4.46 2.79 1 38 HIS 1.61 5.31 1 39 VAL 5.92 1.04 1 41 LYS 3.35 2.56 1 42 ALA 2.56 2.72 1 43 LEU 2.27 0.62 1 45 ASN -1.37 -0.44 1 46 LEU 0.35 -0.57 1 51 LYS 0.84 -0.01 1 52 LEU -1.30 2.33 1 54 TRP 0.33 -1.10 1 55 PHE 0.23 -1.36 1 57 VAL 1.08 -1.67 1 58 ILE -3.12 -3.07 1 59 ASN -1.85 2.35 1 60 SER 3.86 0.72 1 61 GLN 0.81 0.44 1 63 LYS -4.60 -0.58 1 64 ILE 0.32 0.44 1 65 SER 0.05 0.21 1 66 LEU -0.44 -2.74 1 67 LYS -4.31 1.39 1 70 ASP 2.78 1.24 1 71 LEU 6.20 0.68 1 72 ASP 3.93 2.03 1 73 ARG 3.64 2.13 1 74 GLN 6.97 1.42 1 75 LYS 3.76 0.60 1 76 GLN 4.71 3.57 1 77 LYS 4.13 2.23 1 78 LEU 3.56 2.48 1 79 GLU 3.10 4.81 1 80 ALA 2.78 1.01 1 81 GLU -0.31 -0.67 1 83 ILE 1.28 -1.64 1 84 GLU -0.59 -1.77 1 85 VAL -3.36 -0.24 1 86 SER -2.29 1.50 1 87 GLU 3.53 1.20 1 88 ILE 0.25 -0.44 1 90 LYS -1.57 -0.50 1 91 ILE -3.45 -1.80 1 92 ALA 0.84 -0.82 1 93 LEU 3.55 1.06 1 94 ARG 4.46 0.95 1 95 LYS 0.32 1.14 1 96 TYR -1.44 -1.15 1 97 LYS 2.41 0.73 1 98 TRP -1.11 -1.27 1 99 GLN -1.97 -1.93 1 101 LEU 0.35 -0.10 1 102 GLU -0.33 -0.37 1 stop_ save_