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 bmr18091_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.45 _LACS_plot.Line_1_terminator_val_y_1 -1.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 5.10 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 HIS 1.42 3.86 0 31 MET 3.80 -0.26 0 10 GLU 3.89 2.98 1 11 GLU 2.77 2.35 1 12 THR 5.89 4.52 1 13 TYR 4.23 3.54 1 14 GLN 4.26 2.92 1 15 ARG 4.24 3.14 1 16 ALA 2.54 2.17 1 17 MET 1.59 -0.20 1 18 LYS 1.15 0.39 1 19 ASP -2.18 -1.11 1 21 GLU 2.81 2.25 1 22 VAL 5.44 3.89 1 23 ALA 4.28 2.89 1 24 ALA 3.35 2.20 1 25 ILE 4.38 3.86 1 26 MET 2.47 0.26 1 27 GLN 0.15 -0.26 1 28 ASP -2.34 -0.86 1 30 VAL 5.59 3.80 1 32 GLN 5.46 3.72 1 33 SER 4.38 3.03 1 34 ILE 5.66 4.58 1 35 LEU 4.55 2.85 1 36 GLN 4.30 2.96 1 37 GLN 3.44 2.83 1 38 ALA 1.73 1.00 1 39 GLN 3.14 2.22 1 40 GLN 0.93 0.85 1 41 ASN -1.05 -0.87 1 43 ALA 2.60 1.55 1 44 ALA 2.52 1.62 1 45 LEU 3.25 2.54 1 46 GLN 4.40 3.02 1 47 GLU 2.69 1.78 1 49 MET 2.26 2.44 1 50 LYS 2.07 1.19 1 51 ASN -1.65 -1.35 1 53 GLU 2.75 2.28 1 54 VAL 3.59 2.90 1 55 PHE 5.51 4.53 1 56 LYS 4.18 3.28 1 57 LYS 3.79 3.75 1 58 ILE 5.98 3.43 1 59 GLN 4.98 3.42 1 60 THR 6.86 5.09 1 61 LEU 3.97 2.55 1 62 ILE 4.12 3.63 1 63 ALA 3.94 2.34 1 64 ALA -1.08 -0.32 1 66 ILE 1.64 0.45 1 67 ILE -2.45 -1.62 1 68 ARG -1.50 -1.08 1 69 THR -0.42 -0.50 1 71 ARG 0.88 1.21 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18091_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.45 _LACS_plot.Line_1_terminator_val_y_1 0.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -1.76 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 HIS 1.42 2.44 0 31 MET 3.80 -4.06 0 10 GLU 3.89 -0.91 1 11 GLU 2.77 -0.42 1 12 THR 5.89 -1.37 1 13 TYR 4.23 -0.69 1 14 GLN 4.26 -1.34 1 15 ARG 4.24 -1.10 1 16 ALA 2.54 -0.37 1 17 MET 1.59 -1.79 1 18 LYS 1.15 -0.76 1 19 ASP -2.18 1.07 1 21 GLU 2.81 -0.56 1 22 VAL 5.44 -1.55 1 23 ALA 4.28 -1.39 1 24 ALA 3.35 -1.15 1 25 ILE 4.38 -0.52 1 26 MET 2.47 -2.21 1 27 GLN 0.15 -0.41 1 28 ASP -2.34 1.48 1 30 VAL 5.59 -1.79 1 32 GLN 5.46 -1.74 1 33 SER 4.38 -1.35 1 34 ILE 5.66 -1.08 1 35 LEU 4.55 -1.70 1 36 GLN 4.30 -1.34 1 37 GLN 3.44 -0.61 1 38 ALA 1.73 -0.73 1 39 GLN 3.14 -0.92 1 40 GLN 0.93 -0.08 1 41 ASN -1.05 0.18 1 43 ALA 2.60 -1.05 1 44 ALA 2.52 -0.90 1 45 LEU 3.25 -0.71 1 46 GLN 4.40 -1.38 1 47 GLU 2.69 -0.91 1 49 MET 2.26 0.18 1 50 LYS 2.07 -0.88 1 51 ASN -1.65 0.30 1 53 GLU 2.75 -0.47 1 54 VAL 3.59 -0.69 1 55 PHE 5.51 -0.98 1 56 LYS 4.18 -0.90 1 57 LYS 3.79 -0.04 1 58 ILE 5.98 -2.55 1 59 GLN 4.98 -1.56 1 60 THR 6.86 -1.77 1 61 LEU 3.97 -1.42 1 62 ILE 4.12 -0.49 1 63 ALA 3.94 -1.60 1 64 ALA -1.08 0.76 1 66 ILE 1.64 -1.19 1 67 ILE -2.45 0.83 1 68 ARG -1.50 0.42 1 69 THR -0.42 -0.08 1 71 ARG 0.88 0.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18091_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.45 _LACS_plot.Line_1_terminator_val_y_1 -0.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.05 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 ILE 5.66 -0.89 0 22 VAL 5.44 -0.89 0 31 MET 3.80 -0.14 0 28 ASP -2.34 -0.21 0 62 ILE 4.12 -0.14 0 10 GLU 3.89 -0.37 1 11 GLU 2.77 -0.42 1 12 THR 5.89 -0.60 1 13 TYR 4.23 -0.73 1 14 GLN 4.26 -0.65 1 15 ARG 4.24 -0.42 1 16 ALA 2.54 -0.36 1 17 MET 1.59 -0.46 1 18 LYS 1.15 -0.33 1 19 ASP -2.18 -0.13 1 21 GLU 2.81 -0.34 1 23 ALA 4.28 -0.55 1 24 ALA 3.35 -0.38 1 25 ILE 4.38 -0.48 1 26 MET 2.47 -0.34 1 27 GLN 0.15 -0.26 1 30 VAL 5.59 -0.54 1 32 GLN 5.46 -0.60 1 33 SER 4.38 -0.33 1 35 LEU 4.55 -0.59 1 36 GLN 4.30 -0.42 1 37 GLN 3.44 -0.41 1 38 ALA 1.73 -0.21 1 39 GLN 3.14 -0.38 1 40 GLN 0.93 -0.16 1 41 ASN -1.05 -0.10 1 43 ALA 2.60 -0.19 1 44 ALA 2.52 -0.30 1 45 LEU 3.25 -0.36 1 46 GLN 4.40 -0.48 1 47 GLU 2.69 -0.45 1 48 HIS 1.42 -0.35 1 49 MET 2.26 -0.64 1 50 LYS 2.07 -0.36 1 51 ASN -1.65 -0.03 1 53 GLU 2.75 -0.28 1 54 VAL 3.59 -0.46 1 55 PHE 5.51 -0.73 1 56 LYS 4.18 -0.53 1 57 LYS 3.79 -0.41 1 58 ILE 5.98 -0.85 1 59 GLN 4.98 -0.67 1 60 THR 6.86 -0.59 1 61 LEU 3.97 -0.49 1 63 ALA 3.94 -0.35 1 64 ALA -1.08 -0.18 1 66 ILE 1.64 -0.41 1 67 ILE -2.45 0.00 1 68 ARG -1.50 0.04 1 69 THR -0.42 -0.05 1 71 ARG 0.88 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18091_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.45 _LACS_plot.Line_1_terminator_val_y_1 -0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.47 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 2.82 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 ARG 0.88 4.61 0 10 GLU 3.89 1.95 1 11 GLU 2.77 2.87 1 12 THR 5.89 1.07 1 13 TYR 4.23 0.52 1 14 GLN 4.26 2.80 1 15 ARG 4.24 2.73 1 16 ALA 2.54 1.06 1 17 MET 1.59 0.59 1 18 LYS 1.15 0.09 1 19 ASP -2.18 -0.28 1 21 GLU 2.81 2.41 1 22 VAL 5.44 1.44 1 23 ALA 4.28 1.86 1 24 ALA 3.35 3.08 1 25 ILE 4.38 1.05 1 26 MET 2.47 1.38 1 27 GLN 0.15 -0.83 1 28 ASP -2.34 0.22 1 30 VAL 5.59 2.71 1 31 MET 3.80 2.53 1 32 GLN 5.46 2.84 1 33 SER 4.38 2.24 1 34 ILE 5.66 1.23 1 35 LEU 4.55 1.84 1 36 GLN 4.30 2.56 1 37 GLN 3.44 2.40 1 38 ALA 1.73 0.51 1 39 GLN 3.14 1.26 1 40 GLN 0.93 0.03 1 41 ASN -1.05 -1.18 1 43 ALA 2.60 1.71 1 44 ALA 2.52 1.77 1 45 LEU 3.25 0.62 1 46 GLN 4.40 2.30 1 47 GLU 2.69 2.47 1 48 HIS 1.42 3.18 1 49 MET 2.26 -1.04 1 50 LYS 2.07 -0.38 1 51 ASN -1.65 0.32 1 53 GLU 2.75 2.23 1 54 VAL 3.59 1.32 1 55 PHE 5.51 0.96 1 56 LYS 4.18 2.38 1 57 LYS 3.79 1.92 1 58 ILE 5.98 1.42 1 59 GLN 4.98 3.25 1 60 THR 6.86 1.36 1 61 LEU 3.97 1.99 1 62 ILE 4.12 3.86 1 63 ALA 3.94 1.20 1 64 ALA -1.08 -0.76 1 66 ILE 1.64 -0.74 1 67 ILE -2.45 -2.03 1 68 ARG -1.50 -0.58 1 69 THR -0.42 0.06 1 stop_ save_