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 bmr36081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 5.28 _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 23 ILE 5.63 1.50 0 11 LYS -0.44 -0.17 1 12 THR 0.16 0.55 1 13 ILE -3.17 -1.13 1 14 THR -0.91 -0.67 1 15 LEU -5.63 -2.17 1 16 GLU -1.58 -1.29 1 17 VAL -6.49 -3.51 1 18 GLU -2.42 -1.04 1 20 SER -0.69 -0.96 1 21 ASP 1.73 1.53 1 22 THR -3.43 -1.95 1 24 GLU 5.32 4.16 1 25 ASN 3.45 2.89 1 26 VAL 7.59 5.49 1 27 LYS 2.35 3.01 1 28 ALA 4.40 2.96 1 29 LYS 3.34 3.49 1 30 ILE 7.13 5.04 1 31 GLN 6.17 4.37 1 32 ASP 3.22 3.20 1 33 LYS 1.08 1.91 1 34 GLU -4.63 -1.20 1 36 ILE -2.70 -0.90 1 39 ASP 2.88 1.58 1 40 GLN -0.75 -0.11 1 41 GLN -0.52 1.28 1 42 ARG -1.74 -1.03 1 43 LEU -4.32 -1.95 1 44 ILE -2.70 -1.84 1 45 PHE -5.25 -2.11 1 46 ALA 2.82 0.12 1 48 LYS -2.96 -1.62 1 49 GLN 0.38 0.17 1 50 LEU 0.36 -0.49 1 51 GLU -2.76 -0.68 1 52 ASP 2.92 2.42 1 54 ARG -3.30 -1.63 1 55 THR -4.37 -1.95 1 56 LEU 4.97 3.45 1 57 SER 3.54 2.59 1 58 ASP 3.62 3.05 1 59 TYR -0.40 0.63 1 60 ASN 2.51 1.00 1 61 ILE 2.44 1.29 1 62 GLN 1.57 0.71 1 63 LYS 3.25 0.81 1 64 GLU -0.78 0.12 1 66 THR -0.71 0.91 1 67 LEU -3.78 -1.35 1 68 HIS -1.92 0.92 1 69 LEU -5.26 -1.61 1 70 VAL -2.38 -0.44 1 71 LEU -3.40 -1.47 1 72 ARG -4.74 -2.28 1 73 LEU -2.42 -1.59 1 74 ARG 1.58 1.63 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 3.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.05 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 -2.30 _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 23 ILE 5.63 -4.13 0 11 LYS -0.44 0.27 1 12 THR 0.16 0.39 1 13 ILE -3.17 2.04 1 14 THR -0.91 0.24 1 15 LEU -5.63 3.46 1 16 GLU -1.58 0.29 1 17 VAL -6.49 2.98 1 18 GLU -2.42 1.38 1 20 SER -0.69 -0.27 1 21 ASP 1.73 -0.20 1 22 THR -3.43 1.48 1 24 GLU 5.32 -1.16 1 25 ASN 3.45 -0.56 1 26 VAL 7.59 -2.10 1 27 LYS 2.35 0.66 1 28 ALA 4.40 -1.44 1 29 LYS 3.34 0.15 1 30 ILE 7.13 -2.09 1 31 GLN 6.17 -1.80 1 32 ASP 3.22 -0.02 1 33 LYS 1.08 0.83 1 34 GLU -4.63 3.43 1 36 ILE -2.70 1.80 1 39 ASP 2.88 -1.30 1 40 GLN -0.75 0.64 1 41 GLN -0.52 1.80 1 42 ARG -1.74 0.71 1 43 LEU -4.32 2.37 1 44 ILE -2.70 0.86 1 45 PHE -5.25 3.14 1 46 ALA 2.82 -2.70 1 48 LYS -2.96 1.34 1 49 GLN 0.38 -0.21 1 50 LEU 0.36 -0.85 1 51 GLU -2.76 2.08 1 52 ASP 2.92 -0.50 1 54 ARG -3.30 1.67 1 55 THR -4.37 2.42 1 56 LEU 4.97 -1.52 1 57 SER 3.54 -0.95 1 58 ASP 3.62 -0.57 1 59 TYR -0.40 1.03 1 60 ASN 2.51 -1.51 1 61 ILE 2.44 -1.15 1 62 GLN 1.57 -0.86 1 63 LYS 3.25 -2.44 1 64 GLU -0.78 0.90 1 66 THR -0.71 1.62 1 67 LEU -3.78 2.43 1 68 HIS -1.92 2.84 1 69 LEU -5.26 3.65 1 70 VAL -2.38 1.94 1 71 LEU -3.40 1.93 1 72 ARG -4.74 2.46 1 73 LEU -2.42 0.83 1 74 ARG 1.58 0.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 0.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _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 7.58 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 66 THR -0.71 1.00 0 74 ARG 1.58 0.81 0 11 LYS -0.44 0.05 1 12 THR 0.16 0.82 1 13 ILE -3.17 0.37 1 14 THR -0.91 0.61 1 15 LEU -5.63 0.37 1 16 GLU -1.58 0.55 1 17 VAL -6.49 0.55 1 18 GLU -2.42 0.30 1 20 SER -0.69 -0.35 1 21 ASP 1.73 0.04 1 22 THR -3.43 0.49 1 24 GLU 5.32 -0.49 1 25 ASN 3.45 -0.21 1 26 VAL 7.59 -0.77 1 27 LYS 2.35 0.23 1 28 ALA 4.40 -0.19 1 29 LYS 3.34 -0.16 1 30 ILE 7.13 -0.70 1 31 GLN 6.17 -0.56 1 32 ASP 3.22 -0.35 1 33 LYS 1.08 -0.03 1 34 GLU -4.63 0.20 1 36 ILE -2.70 -0.04 1 39 ASP 2.88 -0.25 1 40 GLN -0.75 0.00 1 41 GLN -0.52 -0.21 1 42 ARG -1.74 0.11 1 43 LEU -4.32 0.81 1 44 ILE -2.70 0.58 1 45 PHE -5.25 0.46 1 46 ALA 2.82 -0.60 1 48 LYS -2.96 0.27 1 49 GLN 0.38 0.22 1 50 LEU 0.36 -0.29 1 51 GLU -2.76 0.13 1 54 ARG -3.30 0.37 1 55 THR -4.37 0.79 1 56 LEU 4.97 -0.29 1 57 SER 3.54 -0.26 1 58 ASP 3.62 -0.39 1 59 TYR -0.40 0.02 1 60 ASN 2.51 -0.44 1 61 ILE 2.44 -0.25 1 62 GLN 1.57 -0.01 1 63 LYS 3.25 -0.35 1 64 GLU -0.78 0.05 1 67 LEU -3.78 0.35 1 68 HIS -1.92 0.63 1 69 LEU -5.26 0.88 1 70 VAL -2.38 0.48 1 71 LEU -3.40 0.75 1 72 ARG -4.74 0.28 1 73 LEU -2.42 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.49 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _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 -0.98 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 2.27 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 GLU -4.63 1.31 0 27 LYS 2.35 3.86 0 55 THR -4.37 1.85 0 11 LYS -0.44 -0.95 1 12 THR 0.16 -0.11 1 13 ILE -3.17 -1.75 1 14 THR -0.91 -1.01 1 15 LEU -5.63 -2.96 1 16 GLU -1.58 -0.82 1 17 VAL -6.49 -2.17 1 20 SER -0.69 -0.15 1 21 ASP 1.73 0.00 1 22 THR -3.43 1.73 1 24 GLU 5.32 2.31 1 26 VAL 7.59 1.54 1 28 ALA 4.40 2.36 1 29 LYS 3.34 -1.49 1 30 ILE 7.13 1.71 1 31 GLN 6.17 2.76 1 32 ASP 3.22 0.89 1 33 LYS 1.08 1.15 1 39 ASP 2.88 0.72 1 40 GLN -0.75 -0.54 1 41 GLN -0.52 0.29 1 42 ARG -1.74 -2.55 1 43 LEU -4.32 -2.45 1 44 ILE -2.70 -0.96 1 46 ALA 2.82 -0.51 1 48 LYS -2.96 -2.03 1 49 GLN 0.38 -0.17 1 50 LEU 0.36 -0.94 1 51 GLU -2.76 -0.99 1 54 ARG -3.30 -0.83 1 56 LEU 4.97 2.47 1 57 SER 3.54 2.23 1 58 ASP 3.62 1.11 1 59 TYR -0.40 -1.45 1 60 ASN 2.51 -1.13 1 61 ILE 2.44 0.37 1 62 GLN 1.57 -0.83 1 63 LYS 3.25 -0.38 1 64 GLU -0.78 0.74 1 66 THR -0.71 -0.81 1 67 LEU -3.78 -2.86 1 68 HIS -1.92 0.68 1 69 LEU -5.26 -1.61 1 70 VAL -2.38 -2.48 1 71 LEU -3.40 -2.55 1 72 ARG -4.74 -2.27 1 73 LEU -2.42 1.12 1 stop_ save_