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 bmr10246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -2.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 3.88 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 PHE -5.58 -0.40 0 10 HIS -0.72 1.34 1 13 GLU -0.30 0.30 1 14 LYS -0.26 -0.19 1 16 TYR 0.63 0.18 1 17 ALA -2.75 -1.23 1 19 SER 1.49 1.79 1 20 HIS 0.56 2.35 1 22 ASP 0.73 0.39 1 23 LYS 0.85 1.34 1 24 THR -4.30 -2.30 1 26 ARG 1.27 1.83 1 27 GLN -5.30 -1.73 1 28 LYS 4.35 3.15 1 29 GLN 5.10 3.37 1 30 LEU 2.63 1.78 1 31 LEU 5.18 2.73 1 32 ASP 4.75 3.63 1 33 MET 3.03 3.05 1 34 HIS 5.13 4.72 1 35 PHE 4.92 5.17 1 36 LYS 2.19 2.00 1 37 ARG 2.15 1.87 1 38 TYR 2.32 2.04 1 39 HIS -1.44 -0.95 1 40 ASP -2.23 -0.50 1 42 ASN 0.16 0.27 1 43 PHE 0.34 0.94 1 44 VAL -1.28 -0.62 1 46 ALA -0.62 -0.40 1 47 ALA -1.54 -0.36 1 48 PHE -1.61 -0.59 1 49 VAL -3.95 -1.69 1 51 SER 3.16 2.59 1 52 LYS 1.28 2.33 1 55 LYS 1.39 2.07 1 56 THR -2.04 -1.02 1 57 PHE -4.88 -0.75 1 58 THR 0.93 0.94 1 59 ARG -4.04 -1.28 1 60 ARG 4.64 3.47 1 61 ASN 4.87 3.11 1 62 THR 4.92 3.23 1 63 MET 4.73 3.39 1 64 ALA 3.89 2.82 1 65 ARG 2.93 2.18 1 66 HIS 5.23 4.05 1 67 ALA 2.94 2.69 1 68 ASP 2.72 2.57 1 69 ASN -2.34 -0.58 1 71 ALA -1.17 -0.57 1 74 ASP 0.18 0.42 1 76 VAL 0.13 0.10 1 77 GLU -0.05 0.37 1 79 GLU -0.26 0.16 1 80 ASN 0.09 0.24 1 81 SER -0.06 0.20 1 84 SER -0.15 0.11 1 85 SER -0.15 0.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 3.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.88 _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 5.22 _LACS_plot.Line_2_terminator_val_y_2 -1.34 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 PHE -5.58 5.18 0 10 HIS -0.72 2.06 1 13 GLU -0.30 0.60 1 14 LYS -0.26 0.07 1 16 TYR 0.63 -0.45 1 17 ALA -2.75 1.52 1 19 SER 1.49 0.30 1 20 HIS 0.56 1.79 1 22 ASP 0.73 -0.34 1 23 LYS 0.85 0.49 1 24 THR -4.30 2.00 1 26 ARG 1.27 0.56 1 27 GLN -5.30 3.57 1 28 LYS 4.35 -1.20 1 29 GLN 5.10 -1.73 1 30 LEU 2.63 -0.85 1 31 LEU 5.18 -2.45 1 32 ASP 4.75 -1.12 1 33 MET 3.03 0.02 1 34 HIS 5.13 -0.41 1 35 PHE 4.92 0.25 1 36 LYS 2.19 -0.19 1 37 ARG 2.15 -0.28 1 38 TYR 2.32 -0.28 1 39 HIS -1.44 0.49 1 40 ASP -2.23 1.73 1 42 ASN 0.16 0.11 1 43 PHE 0.34 0.60 1 44 VAL -1.28 0.66 1 46 ALA -0.62 0.22 1 47 ALA -1.54 1.18 1 48 PHE -1.61 1.02 1 49 VAL -3.95 2.26 1 51 SER 3.16 -0.57 1 52 LYS 1.28 1.05 1 55 LYS 1.39 0.68 1 56 THR -2.04 1.02 1 57 PHE -4.88 4.13 1 58 THR 0.93 0.01 1 59 ARG -4.04 2.76 1 60 ARG 4.64 -1.17 1 61 ASN 4.87 -1.76 1 62 THR 4.92 -1.69 1 63 MET 4.73 -1.34 1 64 ALA 3.89 -1.07 1 65 ARG 2.93 -0.75 1 66 HIS 5.23 -1.18 1 67 ALA 2.94 -0.25 1 68 ASP 2.72 -0.15 1 69 ASN -2.34 1.76 1 71 ALA -1.17 0.60 1 74 ASP 0.18 0.24 1 76 VAL 0.13 -0.03 1 77 GLU -0.05 0.42 1 79 GLU -0.26 0.42 1 80 ASN 0.09 0.15 1 81 SER -0.06 0.26 1 84 SER -0.15 0.26 1 85 SER -0.15 0.34 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.58 _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 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 -0.44 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 MET 4.73 -1.94 0 10 HIS -0.72 0.00 1 13 GLU -0.30 -0.11 1 14 LYS -0.26 -0.08 1 16 TYR 0.63 -0.04 1 17 ALA -2.75 0.43 1 19 SER 1.49 -0.04 1 20 HIS 0.56 -0.15 1 22 ASP 0.73 0.03 1 23 LYS 0.85 -0.24 1 24 THR -4.30 0.67 1 25 PHE -5.58 0.27 1 26 ARG 1.27 0.21 1 27 GLN -5.30 0.48 1 28 LYS 4.35 -1.31 1 29 GLN 5.10 -0.23 1 30 LEU 2.63 -0.23 1 31 LEU 5.18 -1.17 1 32 ASP 4.75 -0.28 1 33 MET 3.03 -0.31 1 34 HIS 5.13 -0.33 1 35 PHE 4.92 -0.89 1 36 LYS 2.19 -0.18 1 37 ARG 2.15 -0.62 1 38 TYR 2.32 -0.40 1 39 HIS -1.44 0.21 1 40 ASP -2.23 -0.13 1 42 ASN 0.16 -0.04 1 43 PHE 0.34 -0.17 1 44 VAL -1.28 -0.22 1 46 ALA -0.62 -0.16 1 47 ALA -1.54 -0.10 1 48 PHE -1.61 0.16 1 49 VAL -3.95 0.71 1 51 SER 3.16 -0.20 1 52 LYS 1.28 0.10 1 55 LYS 1.39 -0.25 1 56 THR -2.04 0.68 1 57 PHE -4.88 0.23 1 58 THR 0.93 0.28 1 59 ARG -4.04 0.40 1 60 ARG 4.64 -1.39 1 61 ASN 4.87 -0.41 1 62 THR 4.92 -0.46 1 64 ALA 3.89 -0.38 1 65 ARG 2.93 -0.20 1 66 HIS 5.23 -0.46 1 67 ALA 2.94 -0.35 1 68 ASP 2.72 -0.24 1 69 ASN -2.34 0.17 1 71 ALA -1.17 0.24 1 74 ASP 0.18 0.02 1 76 VAL 0.13 0.05 1 77 GLU -0.05 -0.04 1 79 GLU -0.26 -0.04 1 80 ASN 0.09 0.06 1 81 SER -0.06 0.05 1 84 SER -0.15 0.04 1 85 SER -0.15 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -1.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 5.22 _LACS_plot.Line_2_terminator_val_y_2 1.84 _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 27 GLN -5.30 -0.07 0 25 PHE -5.58 0.18 0 16 TYR 0.63 -1.45 1 17 ALA -2.75 -1.55 1 19 SER 1.49 1.29 1 20 HIS 0.56 0.57 1 22 ASP 0.73 0.56 1 23 LYS 0.85 -0.87 1 24 THR -4.30 -1.65 1 26 ARG 1.27 -0.48 1 28 LYS 4.35 1.29 1 29 GLN 5.10 2.28 1 30 LEU 2.63 1.86 1 31 LEU 5.18 0.00 1 32 ASP 4.75 2.84 1 33 MET 3.03 2.16 1 34 HIS 5.13 2.16 1 35 PHE 4.92 2.24 1 36 LYS 2.19 0.24 1 37 ARG 2.15 1.57 1 38 TYR 2.32 0.26 1 39 HIS -1.44 -0.26 1 40 ASP -2.23 0.03 1 42 ASN 0.16 -0.32 1 44 VAL -1.28 -1.71 1 46 ALA -0.62 -1.17 1 47 ALA -1.54 -1.48 1 48 PHE -1.61 -1.54 1 49 VAL -3.95 -0.63 1 51 SER 3.16 -0.20 1 52 LYS 1.28 1.23 1 55 LYS 1.39 -1.85 1 56 THR -2.04 -1.03 1 57 PHE -4.88 -0.04 1 61 ASN 4.87 2.30 1 62 THR 4.92 1.98 1 63 MET 4.73 0.68 1 64 ALA 3.89 2.08 1 65 ARG 2.93 2.65 1 66 HIS 5.23 3.53 1 67 ALA 2.94 1.57 1 68 ASP 2.72 0.28 1 69 ASN -2.34 -1.60 1 71 ALA -1.17 -0.29 1 74 ASP 0.18 0.57 1 76 VAL 0.13 0.05 1 77 GLU -0.05 0.45 1 79 GLU -0.26 -0.09 1 80 ASN 0.09 0.00 1 81 SER -0.06 0.04 1 84 SER -0.15 0.14 1 85 SER -0.15 -0.65 1 stop_ save_