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 bmr6776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.94 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.30 _LACS_plot.Line_2_terminator_val_x_2 5.96 _LACS_plot.Line_2_terminator_val_y_2 4.69 _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 33 HIS 4.70 6.75 0 44 ASP -7.94 -3.59 0 10 GLU 4.83 4.34 1 11 ILE 5.96 5.27 1 13 GLU 4.01 3.25 1 14 ALA 3.29 2.46 1 15 LEU 4.42 2.58 1 16 TYR 3.19 2.50 1 17 ASP 1.54 2.12 1 18 ALA 1.58 1.30 1 19 TYR -0.65 -0.57 1 21 ASP -0.13 -0.40 1 22 LEU -2.37 -0.95 1 23 ASP -2.60 -1.86 1 25 LYS 4.08 2.57 1 26 THR -0.97 -0.86 1 27 VAL 0.05 0.37 1 28 ARG -2.00 -1.58 1 29 PHE 4.72 2.42 1 30 THR 5.02 3.22 1 31 ASP 2.39 1.85 1 32 MET 2.51 3.64 1 34 GLN 4.42 3.07 1 35 TRP 0.91 0.18 1 36 ILE 4.61 3.92 1 38 ASP -0.76 -0.09 1 39 LEU 1.71 0.68 1 40 GLU 2.92 2.71 1 41 ASP 0.76 0.22 1 42 PHE 2.29 2.97 1 43 ASP -2.77 -1.41 1 45 ASP -1.79 -0.50 1 47 GLN 1.11 0.35 1 48 ALA -0.79 -0.53 1 49 SER 0.34 -0.62 1 50 ASN -1.16 -0.59 1 51 GLU 5.10 4.34 1 52 LYS 4.35 2.57 1 53 ILE 2.43 2.83 1 54 LEU 4.42 2.58 1 55 GLU 3.19 3.25 1 56 ALA 3.83 3.00 1 57 ILE 3.52 4.19 1 58 LEU 3.33 3.12 1 59 LEU 4.15 3.39 1 60 VAL 4.94 3.90 1 61 TRP 0.64 1.54 1 62 LEU 3.60 3.39 1 63 ASP 2.27 2.39 1 64 GLU 1.02 0.81 1 65 ALA -0.79 0.01 1 66 GLU 1.30 2.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.94 _LACS_plot.Line_1_terminator_val_y_1 4.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.70 _LACS_plot.Line_2_terminator_val_x_2 5.96 _LACS_plot.Line_2_terminator_val_y_2 -1.27 _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 33 HIS 4.70 2.05 0 44 ASP -7.94 4.35 0 10 GLU 4.83 -0.49 1 11 ILE 5.96 -0.69 1 13 GLU 4.01 -0.76 1 14 ALA 3.29 -0.83 1 15 LEU 4.42 -1.84 1 16 TYR 3.19 -0.69 1 17 ASP 1.54 0.58 1 18 ALA 1.58 -0.28 1 19 TYR -0.65 0.08 1 21 ASP -0.13 -0.27 1 22 LEU -2.37 1.42 1 23 ASP -2.60 0.74 1 25 LYS 4.08 -1.51 1 26 THR -0.97 0.11 1 27 VAL 0.05 0.32 1 28 ARG -2.00 0.42 1 29 PHE 4.72 -2.30 1 30 THR 5.02 -1.80 1 31 ASP 2.39 -0.54 1 32 MET 2.51 1.13 1 34 GLN 4.42 -1.35 1 35 TRP 0.91 -0.73 1 36 ILE 4.61 -0.69 1 38 ASP -0.76 0.67 1 39 LEU 1.71 -1.03 1 40 GLU 2.92 -0.21 1 41 ASP 0.76 -0.54 1 42 PHE 2.29 0.68 1 43 ASP -2.77 1.36 1 45 ASP -1.79 1.29 1 47 GLN 1.11 -0.76 1 48 ALA -0.79 0.26 1 49 SER 0.34 -0.96 1 50 ASN -1.16 0.57 1 51 GLU 5.10 -0.76 1 52 LYS 4.35 -1.78 1 53 ILE 2.43 0.40 1 54 LEU 4.42 -1.84 1 55 GLU 3.19 0.06 1 56 ALA 3.83 -0.83 1 57 ILE 3.52 0.67 1 58 LEU 3.33 -0.21 1 59 LEU 4.15 -0.76 1 60 VAL 4.94 -1.04 1 61 TRP 0.64 0.90 1 62 LEU 3.60 -0.21 1 63 ASP 2.27 0.12 1 64 GLU 1.02 -0.21 1 65 ALA -0.79 0.80 1 66 GLU 1.30 0.87 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.94 _LACS_plot.Line_1_terminator_val_y_1 0.39 _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 5.96 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 SER 0.34 -1.33 0 10 GLU 4.83 -0.39 1 11 ILE 5.96 -0.54 1 13 GLU 4.01 -0.40 1 14 ALA 3.29 -0.15 1 15 LEU 4.42 -0.60 1 16 TYR 3.19 -0.43 1 17 ASP 1.54 -0.56 1 18 ALA 1.58 -0.47 1 19 TYR -0.65 0.07 1 21 ASP -0.13 0.13 1 22 LEU -2.37 0.02 1 23 ASP -2.60 -0.03 1 25 LYS 4.08 -0.35 1 26 THR -0.97 0.07 1 27 VAL 0.05 -0.07 1 28 ARG -2.00 0.16 1 29 PHE 4.72 -0.20 1 30 THR 5.02 -0.39 1 31 ASP 2.39 -0.50 1 32 MET 2.51 -0.85 1 33 HIS 4.70 -0.74 1 34 GLN 4.42 -0.54 1 35 TRP 0.91 0.01 1 36 ILE 4.61 -0.76 1 38 ASP -0.76 0.06 1 39 LEU 1.71 -0.14 1 40 GLU 2.92 -0.34 1 41 ASP 0.76 0.08 1 42 PHE 2.29 -0.58 1 43 ASP -2.77 0.04 1 44 ASP -7.94 0.03 1 45 ASP -1.79 0.09 1 47 GLN 1.11 0.14 1 48 ALA -0.79 0.17 1 50 ASN -1.16 -0.24 1 51 GLU 5.10 -0.64 1 52 LYS 4.35 -0.17 1 53 ILE 2.43 -0.32 1 54 LEU 4.42 -0.26 1 55 GLU 3.19 -0.30 1 56 ALA 3.83 -0.12 1 57 ILE 3.52 -0.40 1 58 LEU 3.33 0.07 1 59 LEU 4.15 -0.21 1 60 VAL 4.94 -0.24 1 61 TRP 0.64 -0.16 1 62 LEU 3.60 -0.51 1 63 ASP 2.27 -0.12 1 64 GLU 1.02 -0.36 1 65 ALA -0.79 -0.03 1 66 GLU 1.30 -0.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6776_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.94 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 5.96 _LACS_plot.Line_2_terminator_val_y_2 2.38 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 ASP -7.94 -2.10 0 10 GLU 4.83 4.26 1 11 ILE 5.96 1.09 1 13 GLU 4.01 2.20 1 14 ALA 3.29 3.48 1 15 LEU 4.42 -0.43 1 16 TYR 3.19 0.91 1 17 ASP 1.54 1.67 1 18 ALA 1.58 -0.12 1 21 ASP -0.13 -0.24 1 22 LEU -2.37 -1.86 1 25 LYS 4.08 1.21 1 26 THR -0.97 0.02 1 27 VAL 0.05 -0.72 1 30 THR 5.02 1.93 1 31 ASP 2.39 -0.77 1 32 MET 2.51 0.62 1 33 HIS 4.70 2.13 1 34 GLN 4.42 1.44 1 35 TRP 0.91 3.99 1 36 ILE 4.61 0.39 1 38 ASP -0.76 0.78 1 39 LEU 1.71 1.93 1 40 GLU 2.92 1.00 1 41 ASP 0.76 -0.60 1 42 PHE 2.29 -0.45 1 43 ASP -2.77 -3.64 1 47 GLN 1.11 0.52 1 48 ALA -0.79 -1.58 1 49 SER 0.34 -1.90 1 50 ASN -1.16 -0.39 1 51 GLU 5.10 0.99 1 52 LYS 4.35 3.72 1 53 ILE 2.43 0.63 1 54 LEU 4.42 0.96 1 55 GLU 3.19 1.00 1 56 ALA 3.83 2.92 1 57 ILE 3.52 1.01 1 58 LEU 3.33 0.69 1 59 LEU 4.15 2.48 1 60 VAL 4.94 1.49 1 61 TRP 0.64 2.68 1 62 LEU 3.60 1.38 1 63 ASP 2.27 2.18 1 64 GLU 1.02 2.23 1 65 ALA -0.79 -0.82 1 stop_ save_