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 bmr19327_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -1.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 4.54 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 TYR -6.25 -0.88 0 47 ASP -1.51 2.40 0 16 TYR -5.38 0.06 0 10 ASP 3.99 2.88 1 11 LYS 2.03 2.19 1 12 VAL -1.67 -2.14 1 13 ALA 2.47 2.76 1 14 SER 3.42 2.16 1 15 GLU -0.00 -0.81 1 17 THR -2.85 -1.35 1 18 LYS 1.93 1.42 1 19 ILE -0.61 -0.05 1 21 THR -3.29 -0.84 1 22 ILE -5.45 -1.55 1 23 SER -3.77 -1.51 1 24 THR -1.19 -0.93 1 25 THR 0.71 0.30 1 27 GLU -0.59 -0.90 1 28 MET -3.55 -0.37 1 29 SER 1.09 0.42 1 31 LEU 3.66 2.85 1 32 ASP 3.81 2.55 1 33 ALA 2.96 2.30 1 34 ARG 4.93 4.30 1 35 GLU 3.45 2.24 1 36 ASP 1.84 3.27 1 37 LEU 3.29 2.50 1 38 ILE 5.90 4.66 1 39 LYS 4.52 3.55 1 40 LYS 2.63 3.07 1 41 ALA 2.54 2.54 1 42 ASP 4.95 2.88 1 43 GLU 3.08 2.30 1 44 LYS -1.29 -1.37 1 46 ALA -2.91 -0.80 1 48 VAL -6.47 -1.77 1 49 VAL -3.79 -2.26 1 50 VAL -2.51 -1.35 1 51 LEU 1.39 0.62 1 52 THR 0.06 -0.28 1 53 SER -0.39 -0.23 1 55 GLN -0.09 0.27 1 56 THR -0.38 -0.39 1 57 GLU 0.50 0.39 1 58 ASN 0.83 0.66 1 59 LYS -0.36 -0.08 1 60 ILE -1.82 -0.57 1 61 HIS -0.25 -0.32 1 63 THR -3.75 -1.50 1 64 ALA -5.97 -1.23 1 65 ASP -2.95 -0.72 1 66 ILE -5.50 -2.91 1 68 LYS -5.77 -1.73 1 69 LYS 1.74 1.47 1 70 LYS 0.90 1.13 1 71 LEU -0.19 -0.28 1 72 GLU -1.30 -0.77 1 73 HIS -0.07 0.06 1 74 HIS 0.09 0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19327_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 4.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 -1.36 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 TYR -6.25 5.37 0 47 ASP -1.51 3.91 0 16 TYR -5.38 5.44 0 10 ASP 3.99 -1.11 1 11 LYS 2.03 0.16 1 12 VAL -1.67 -0.47 1 13 ALA 2.47 0.29 1 14 SER 3.42 -1.26 1 15 GLU -0.00 -0.81 1 17 THR -2.85 1.50 1 18 LYS 1.93 -0.51 1 19 ILE -0.61 0.56 1 21 THR -3.29 2.45 1 22 ILE -5.45 3.90 1 23 SER -3.77 2.26 1 24 THR -1.19 0.26 1 25 THR 0.71 -0.41 1 27 GLU -0.59 -0.31 1 28 MET -3.55 3.18 1 29 SER 1.09 -0.67 1 31 LEU 3.66 -0.81 1 32 ASP 3.81 -1.26 1 33 ALA 2.96 -0.66 1 34 ARG 4.93 -0.63 1 35 GLU 3.45 -1.21 1 36 ASP 1.84 1.43 1 37 LEU 3.29 -0.79 1 38 ILE 5.90 -1.24 1 39 LYS 4.52 -0.97 1 40 LYS 2.63 0.44 1 41 ALA 2.54 0.00 1 42 ASP 4.95 -2.07 1 43 GLU 3.08 -0.78 1 44 LYS -1.29 -0.08 1 46 ALA -2.91 2.11 1 48 VAL -6.47 4.70 1 49 VAL -3.79 1.53 1 50 VAL -2.51 1.16 1 51 LEU 1.39 -0.77 1 52 THR 0.06 -0.34 1 53 SER -0.39 0.16 1 55 GLN -0.09 0.36 1 56 THR -0.38 -0.01 1 57 GLU 0.50 -0.11 1 58 ASN 0.83 -0.17 1 59 LYS -0.36 0.28 1 60 ILE -1.82 1.25 1 61 HIS -0.25 -0.07 1 63 THR -3.75 2.25 1 64 ALA -5.97 4.74 1 65 ASP -2.95 2.23 1 66 ILE -5.50 2.59 1 68 LYS -5.77 4.04 1 69 LYS 1.74 -0.27 1 70 LYS 0.90 0.23 1 71 LEU -0.19 -0.09 1 72 GLU -1.30 0.53 1 73 HIS -0.07 0.13 1 74 HIS 0.09 0.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19327_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 0.87 _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 0.30 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 13 ALA 2.47 -1.30 0 10 ASP 3.99 -0.49 1 11 LYS 2.03 -0.21 1 12 VAL -1.67 0.50 1 14 SER 3.42 -0.15 1 15 GLU -0.00 -0.08 1 16 TYR -5.38 0.60 1 17 THR -2.85 0.49 1 18 LYS 1.93 -0.44 1 19 ILE -0.61 0.39 1 21 THR -3.29 0.89 1 22 ILE -5.45 0.62 1 23 SER -3.77 0.78 1 24 THR -1.19 0.20 1 25 THR 0.71 0.05 1 27 GLU -0.59 0.05 1 28 MET -3.55 0.22 1 29 SER 1.09 0.00 1 31 LEU 3.66 -0.23 1 32 ASP 3.81 -0.22 1 33 ALA 2.96 -0.11 1 34 ARG 4.93 -0.60 1 35 GLU 3.45 -0.34 1 36 ASP 1.84 -0.26 1 37 LEU 3.29 -0.48 1 38 ILE 5.90 -0.87 1 39 LYS 4.52 -0.23 1 40 LYS 2.63 -0.33 1 41 ALA 2.54 -0.55 1 42 ASP 4.95 -0.05 1 43 GLU 3.08 -0.27 1 44 LYS -1.29 0.00 1 46 ALA -2.91 -0.30 1 47 ASP -1.51 0.43 1 48 VAL -6.47 1.01 1 49 VAL -3.79 0.44 1 50 VAL -2.51 0.44 1 51 LEU 1.39 0.11 1 52 THR 0.06 0.07 1 53 SER -0.39 0.07 1 55 GLN -0.09 0.16 1 56 THR -0.38 0.08 1 57 GLU 0.50 -0.10 1 58 ASN 0.83 -0.13 1 59 LYS -0.36 -0.01 1 60 ILE -1.82 0.14 1 61 HIS -0.25 0.05 1 63 THR -3.75 0.69 1 64 ALA -5.97 0.64 1 65 ASP -2.95 0.56 1 66 ILE -5.50 1.21 1 67 TYR -6.25 0.89 1 68 LYS -5.77 0.86 1 69 LYS 1.74 -0.50 1 70 LYS 0.90 -0.21 1 71 LEU -0.19 -0.05 1 72 GLU -1.30 -0.13 1 73 HIS -0.07 -0.09 1 74 HIS 0.09 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19327_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 5.90 _LACS_plot.Line_2_terminator_val_y_2 2.41 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 ILE -0.61 -161.89 0 22 ILE -5.45 -159.87 0 10 ASP 3.99 2.13 1 11 LYS 2.03 1.48 1 12 VAL -1.67 0.11 1 13 ALA 2.47 1.63 1 14 SER 3.42 0.89 1 15 GLU -0.00 -1.63 1 16 TYR -5.38 -1.51 1 17 THR -2.85 -0.84 1 18 LYS 1.93 0.32 1 21 THR -3.29 -1.15 1 23 SER -3.77 -0.80 1 24 THR -1.19 0.02 1 25 THR 0.71 0.03 1 27 GLU -0.59 -0.43 1 28 MET -3.55 -0.81 1 31 LEU 3.66 1.42 1 32 ASP 3.81 2.50 1 33 ALA 2.96 1.26 1 34 ARG 4.93 1.23 1 35 GLU 3.45 2.15 1 36 ASP 1.84 -133.77 1 37 LEU 3.29 1.17 1 38 ILE 5.90 0.83 1 39 LYS 4.52 3.68 1 40 LYS 2.63 2.76 1 41 ALA 2.54 1.97 1 42 ASP 4.95 4.46 1 43 GLU 3.08 1.55 1 44 LYS -1.29 -0.43 1 46 ALA -2.91 -2.03 1 47 ASP -1.51 0.82 1 48 VAL -6.47 -3.26 1 49 VAL -3.79 -2.96 1 50 VAL -2.51 -0.33 1 51 LEU 1.39 0.56 1 52 THR 0.06 0.25 1 53 SER -0.39 0.46 1 55 GLN -0.09 0.24 1 56 THR -0.38 -0.22 1 57 GLU 0.50 -0.65 1 58 ASN 0.83 -0.51 1 59 LYS -0.36 -1.10 1 60 ILE -1.82 -0.99 1 61 HIS -0.25 -0.09 1 63 THR -3.75 -1.02 1 64 ALA -5.97 -2.71 1 65 ASP -2.95 -1.16 1 66 ILE -5.50 -1.24 1 67 TYR -6.25 -0.33 1 68 LYS -5.77 -1.40 1 69 LYS 1.74 0.35 1 70 LYS 0.90 -0.06 1 71 LEU -0.19 -0.86 1 72 GLU -1.30 -0.67 1 73 HIS -0.07 0.16 1 stop_ save_