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 bmr25933_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 5.46 _LACS_plot.Line_2_terminator_val_y_2 4.12 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 PHE -6.84 -0.67 0 30 TYR -7.22 -0.91 0 10 PHE -0.44 -1.76 1 11 SER 3.69 3.66 1 14 ASP -2.97 -0.90 1 15 ALA -2.02 -1.28 1 17 GLN 1.55 0.08 1 18 LEU -3.13 -1.34 1 19 VAL -3.13 -2.22 1 20 SER -2.18 -1.17 1 23 LYS -0.33 1.02 1 28 LYS 0.10 -0.87 1 29 VAL -6.21 -3.58 1 31 HIS 1.40 3.14 1 32 ALA 5.46 3.54 1 33 ASP 3.12 2.34 1 35 LEU -1.71 -1.13 1 36 ASN 2.30 0.95 1 37 LEU -1.22 -0.68 1 38 THR 1.45 0.81 1 39 LYS -2.32 -1.34 1 40 ARG 0.92 0.47 1 42 ALA -1.96 -0.76 1 44 LYS 1.60 -0.19 1 45 TRP 1.60 1.47 1 49 TRP -2.98 -1.20 1 50 HIS 1.80 1.07 1 51 GLN -2.81 -1.43 1 53 ASP 3.16 3.18 1 54 VAL 2.78 2.89 1 57 LYS 0.48 0.52 1 58 GLU 1.39 1.31 1 59 ALA -0.17 -0.26 1 60 ALA -4.62 -0.57 1 61 SER -3.16 -0.24 1 62 PHE -1.61 0.00 1 64 GLU 1.35 2.02 1 65 MET -0.11 0.76 1 68 SER 1.25 1.50 1 69 SER -1.87 -1.71 1 72 LYS 5.07 4.25 1 73 GLN 2.84 2.19 1 74 HIS -1.05 2.69 1 75 ARG 2.64 1.92 1 76 GLU 2.84 1.61 1 78 MET -1.78 -1.53 1 79 LEU -6.26 -2.39 1 80 PHE -4.25 -1.47 1 81 ILE 0.85 -0.46 1 82 SER -0.37 -0.12 1 83 LYS 2.37 1.65 1 84 LEU 2.23 1.73 1 85 ASP -2.10 -1.14 1 87 ARG -0.22 0.81 1 88 LEU 0.05 0.46 1 89 SER -5.26 -1.99 1 91 THR 2.41 1.78 1 92 GLU 0.99 -0.02 1 93 HIS -1.10 -0.73 1 94 ASP 0.85 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25933_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 4.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 5.46 _LACS_plot.Line_2_terminator_val_y_2 -1.34 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 PHE -6.84 6.17 0 30 TYR -7.22 6.31 0 10 PHE -0.44 -1.32 1 11 SER 3.69 -0.03 1 14 ASP -2.97 2.07 1 15 ALA -2.02 0.74 1 17 GLN 1.55 -1.47 1 18 LEU -3.13 1.79 1 19 VAL -3.13 0.91 1 20 SER -2.18 1.01 1 23 LYS -0.33 1.35 1 28 LYS 0.10 -0.97 1 29 VAL -6.21 2.63 1 31 HIS 1.40 1.74 1 32 ALA 5.46 -1.92 1 33 ASP 3.12 -0.78 1 35 LEU -1.71 0.58 1 36 ASN 2.30 -1.35 1 37 LEU -1.22 0.54 1 38 THR 1.45 -0.64 1 39 LYS -2.32 0.98 1 40 ARG 0.92 -0.45 1 42 ALA -1.96 1.20 1 44 LYS 1.60 -1.79 1 45 TRP 1.60 -0.13 1 49 TRP -2.98 1.78 1 50 HIS 1.80 -0.73 1 51 GLN -2.81 1.38 1 53 ASP 3.16 0.02 1 54 VAL 2.78 0.11 1 57 LYS 0.48 0.04 1 58 GLU 1.39 -0.08 1 59 ALA -0.17 -0.09 1 60 ALA -4.62 4.05 1 61 SER -3.16 2.92 1 62 PHE -1.61 1.61 1 64 GLU 1.35 0.67 1 65 MET -0.11 0.87 1 68 SER 1.25 0.25 1 69 SER -1.87 0.16 1 72 LYS 5.07 -0.82 1 73 GLN 2.84 -0.65 1 74 HIS -1.05 3.74 1 75 ARG 2.64 -0.72 1 76 GLU 2.84 -1.23 1 78 MET -1.78 0.25 1 79 LEU -6.26 3.87 1 80 PHE -4.25 2.78 1 81 ILE 0.85 -1.31 1 82 SER -0.37 0.25 1 83 LYS 2.37 -0.72 1 84 LEU 2.23 -0.50 1 85 ASP -2.10 0.96 1 87 ARG -0.22 1.03 1 88 LEU 0.05 0.41 1 89 SER -5.26 3.27 1 91 THR 2.41 -0.63 1 92 GLU 0.99 -1.01 1 93 HIS -1.10 0.37 1 94 ASP 0.85 1.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25933_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 0.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 5.46 _LACS_plot.Line_2_terminator_val_y_2 -0.48 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 SER -5.26 1.68 0 10 PHE -0.44 0.08 1 11 SER 3.69 -0.14 1 14 ASP -2.97 0.65 1 15 ALA -2.02 0.36 1 17 GLN 1.55 0.02 1 18 LEU -3.13 0.37 1 19 VAL -3.13 0.43 1 20 SER -2.18 0.59 1 23 LYS -0.33 -0.23 1 28 LYS 0.10 -0.43 1 29 VAL -6.21 1.17 1 30 TYR -7.22 1.27 1 31 HIS 1.40 0.16 1 32 ALA 5.46 -0.49 1 33 ASP 3.12 -0.12 1 35 LEU -1.71 0.06 1 36 ASN 2.30 -0.28 1 37 LEU -1.22 0.13 1 38 THR 1.45 -0.13 1 39 LYS -2.32 0.06 1 40 ARG 0.92 -0.49 1 42 ALA -1.96 0.13 1 44 LYS 1.60 0.01 1 45 TRP 1.60 -0.34 1 49 TRP -2.98 0.59 1 50 HIS 1.80 -0.25 1 51 GLN -2.81 0.30 1 53 ASP 3.16 -0.45 1 54 VAL 2.78 -0.24 1 57 LYS 0.48 0.09 1 58 GLU 1.39 -0.20 1 59 ALA -0.17 -0.92 1 60 ALA -4.62 0.15 1 61 SER -3.16 0.17 1 62 PHE -1.61 -0.28 1 64 GLU 1.35 0.54 1 65 MET -0.11 0.06 1 68 SER 1.25 0.68 1 69 SER -1.87 -0.03 1 70 PHE -6.84 1.43 1 72 LYS 5.07 -0.64 1 73 GLN 2.84 -0.26 1 74 HIS -1.05 0.28 1 75 ARG 2.64 -0.64 1 76 GLU 2.84 -0.39 1 78 MET -1.78 0.13 1 79 LEU -6.26 0.74 1 80 PHE -4.25 0.15 1 81 ILE 0.85 -0.08 1 82 SER -0.37 0.06 1 83 LYS 2.37 -0.12 1 84 LEU 2.23 -0.06 1 85 ASP -2.10 0.10 1 87 ARG -0.22 0.00 1 88 LEU 0.05 0.24 1 91 THR 2.41 0.05 1 92 GLU 0.99 -0.07 1 93 HIS -1.10 0.06 1 94 ASP 0.85 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25933_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 5.46 _LACS_plot.Line_2_terminator_val_y_2 1.56 _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 70 PHE -6.84 1.11 0 30 TYR -7.22 1.32 0 10 PHE -0.44 0.39 1 11 SER 3.69 1.24 1 14 ASP -2.97 -0.19 1 15 ALA -2.02 -0.42 1 17 GLN 1.55 -0.74 1 18 LEU -3.13 -0.52 1 19 VAL -3.13 -1.06 1 20 SER -2.18 -0.16 1 28 LYS 0.10 -0.64 1 29 VAL -6.21 -1.82 1 31 HIS 1.40 3.49 1 32 ALA 5.46 2.69 1 33 ASP 3.12 2.71 1 35 LEU -1.71 -1.27 1 36 ASN 2.30 -0.13 1 37 LEU -1.22 0.51 1 38 THR 1.45 -0.38 1 39 LYS -2.32 -1.03 1 42 ALA -1.96 0.15 1 49 TRP -2.98 2.95 1 50 HIS 1.80 0.97 1 51 GLN -2.81 -3.22 1 53 ASP 3.16 0.43 1 54 VAL 2.78 0.94 1 57 LYS 0.48 -1.54 1 58 GLU 1.39 0.06 1 59 ALA -0.17 -2.27 1 60 ALA -4.62 -1.71 1 61 SER -3.16 -2.73 1 62 PHE -1.61 -1.25 1 64 GLU 1.35 1.08 1 65 MET -0.11 -2.39 1 68 SER 1.25 -1.18 1 69 SER -1.87 -3.16 1 72 LYS 5.07 1.23 1 73 GLN 2.84 1.49 1 74 HIS -1.05 0.11 1 75 ARG 2.64 0.19 1 76 GLU 2.84 0.80 1 78 MET -1.78 -0.49 1 79 LEU -6.26 -2.02 1 80 PHE -4.25 -1.45 1 81 ILE 0.85 0.43 1 82 SER -0.37 2.86 1 83 LYS 2.37 0.57 1 84 LEU 2.23 0.84 1 85 ASP -2.10 1.11 1 87 ARG -0.22 -0.33 1 88 LEU 0.05 -1.54 1 89 SER -5.26 -0.26 1 91 THR 2.41 1.21 1 92 GLU 0.99 -0.66 1 93 HIS -1.10 -0.08 1 stop_ save_