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 bmr6457_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 5.27 _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 23 ILE 5.61 1.16 0 11 LYS -0.02 0.08 1 12 THR 0.48 0.59 1 13 ILE -3.27 -1.12 1 14 THR 0.29 0.14 1 15 LEU -6.94 -2.27 1 16 GLU -1.33 -1.78 1 17 VAL -7.27 -3.77 1 18 GLU -2.59 -1.48 1 20 SER -0.47 -0.90 1 21 ASP 1.80 1.50 1 22 THR -3.51 -2.11 1 24 GLU 5.24 3.62 1 25 ASN 3.41 2.96 1 26 VAL 7.52 5.46 1 27 LYS 2.42 3.05 1 28 ALA 4.26 2.87 1 29 LYS 3.26 3.45 1 30 ILE 7.05 5.05 1 31 GLN 5.98 4.30 1 32 ASP 3.51 2.99 1 33 LYS 0.78 1.85 1 34 GLU -4.19 -1.43 1 36 ILE -2.83 -0.95 1 39 ASP 3.00 1.44 1 40 GLN -0.80 -0.06 1 41 GLN -1.48 0.77 1 42 ARG -1.80 -0.95 1 43 LEU -5.51 -2.12 1 44 ILE -4.74 -2.12 1 45 PHE -4.84 -0.68 1 46 ALA 2.57 0.04 1 48 LYS -3.08 -1.65 1 49 GLN 0.44 0.04 1 50 LEU -0.03 -0.86 1 51 GLU -2.31 -0.64 1 52 ASP 3.01 2.76 1 54 ARG -3.36 -1.61 1 55 THR -4.57 -2.11 1 56 LEU 5.64 3.61 1 57 SER 4.05 2.78 1 58 ASP 3.98 2.98 1 59 TYR -0.92 0.35 1 60 ASN 2.51 1.02 1 61 ILE 3.38 1.32 1 62 GLN -4.29 -2.04 1 63 LYS 2.04 1.59 1 64 GLU 5.29 1.29 1 65 SER 1.48 2.59 1 66 THR 0.26 0.54 1 67 LEU -3.06 -1.20 1 68 HIS -1.53 0.00 1 69 LEU -3.19 -1.21 1 70 VAL -3.41 -1.40 1 71 LEU -1.61 -1.16 1 72 ARG -0.84 -0.39 1 73 LEU -0.30 -0.17 1 74 ARG 0.64 0.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6457_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 4.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _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 23 ILE 5.61 -4.45 0 11 LYS -0.02 0.10 1 12 THR 0.48 0.11 1 13 ILE -3.27 2.15 1 14 THR 0.29 -0.15 1 15 LEU -6.94 4.67 1 16 GLU -1.33 -0.45 1 17 VAL -7.27 3.50 1 18 GLU -2.59 1.11 1 20 SER -0.47 -0.43 1 21 ASP 1.80 -0.30 1 22 THR -3.51 1.40 1 24 GLU 5.24 -1.62 1 25 ASN 3.41 -0.45 1 26 VAL 7.52 -2.06 1 27 LYS 2.42 0.63 1 28 ALA 4.26 -1.39 1 29 LYS 3.26 0.19 1 30 ILE 7.05 -2.00 1 31 GLN 5.98 -1.68 1 32 ASP 3.51 -0.52 1 33 LYS 0.78 1.07 1 34 GLU -4.19 2.76 1 36 ILE -2.83 1.88 1 39 ASP 3.00 -1.56 1 40 GLN -0.80 0.74 1 41 GLN -1.48 2.25 1 42 ARG -1.80 0.85 1 43 LEU -5.51 3.39 1 44 ILE -4.74 2.62 1 45 PHE -4.84 4.16 1 46 ALA 2.57 -2.53 1 48 LYS -3.08 1.43 1 49 GLN 0.44 -0.40 1 50 LEU -0.03 -0.83 1 51 GLU -2.31 1.67 1 52 ASP 3.01 -0.25 1 54 ARG -3.36 1.75 1 55 THR -4.57 2.46 1 56 LEU 5.64 -2.03 1 57 SER 4.05 -1.27 1 58 ASP 3.98 -1.00 1 59 TYR -0.92 1.27 1 60 ASN 2.51 -1.49 1 61 ILE 3.38 -2.06 1 62 GLN -4.29 2.25 1 63 LYS 2.04 -0.45 1 64 GLU 5.29 -4.00 1 65 SER 1.48 1.11 1 66 THR 0.26 0.28 1 67 LEU -3.06 1.86 1 68 HIS -1.53 1.53 1 69 LEU -3.19 1.98 1 70 VAL -3.41 2.01 1 71 LEU -1.61 0.45 1 72 ARG -0.84 0.45 1 73 LEU -0.30 0.13 1 74 ARG 0.64 -0.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6457_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 0.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 66 THR 0.26 0.92 0 11 LYS -0.02 0.04 1 12 THR 0.48 0.70 1 13 ILE -3.27 0.37 1 14 THR 0.29 0.61 1 15 LEU -6.94 0.44 1 16 GLU -1.33 0.57 1 17 VAL -7.27 0.59 1 18 GLU -2.59 0.45 1 20 SER -0.47 -0.10 1 21 ASP 1.80 0.06 1 22 THR -3.51 0.57 1 23 ILE 5.61 -0.51 1 24 GLU 5.24 -0.43 1 25 ASN 3.41 -0.21 1 26 VAL 7.52 -0.72 1 27 LYS 2.42 0.26 1 28 ALA 4.26 -0.16 1 29 LYS 3.26 -0.11 1 30 ILE 7.05 -0.66 1 31 GLN 5.98 -0.51 1 32 ASP 3.51 -0.29 1 33 LYS 0.78 0.02 1 34 GLU -4.19 0.27 1 36 ILE -2.83 0.00 1 39 ASP 3.00 -0.21 1 40 GLN -0.80 0.12 1 41 GLN -1.48 -0.10 1 42 ARG -1.80 0.16 1 43 LEU -5.51 1.02 1 44 ILE -4.74 0.82 1 45 PHE -4.84 0.42 1 46 ALA 2.57 -0.63 1 48 LYS -3.08 0.30 1 49 GLN 0.44 0.22 1 50 LEU -0.03 -0.25 1 51 GLU -2.31 0.14 1 52 ASP 3.01 -0.28 1 54 ARG -3.36 0.36 1 55 THR -4.57 0.89 1 56 LEU 5.64 -0.28 1 57 SER 4.05 -0.20 1 58 ASP 3.98 -0.34 1 59 TYR -0.92 0.12 1 60 ASN 2.51 -0.38 1 61 ILE 3.38 -0.78 1 62 GLN -4.29 0.17 1 63 LYS 2.04 -0.32 1 64 GLU 5.29 -0.89 1 65 SER 1.48 0.17 1 67 LEU -3.06 0.72 1 68 HIS -1.53 0.51 1 69 LEU -3.19 0.85 1 70 VAL -3.41 0.23 1 71 LEU -1.61 0.72 1 72 ARG -0.84 -0.04 1 73 LEU -0.30 0.05 1 74 ARG 0.64 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6457_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -2.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.63 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 2.25 _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 27 LYS 2.42 3.95 0 22 THR -3.51 2.05 0 64 GLU 5.29 -1.35 0 55 THR -4.57 1.86 0 11 LYS -0.02 -0.66 1 12 THR 0.48 -0.38 1 13 ILE -3.27 -1.18 1 14 THR 0.29 -0.91 1 15 LEU -6.94 -2.93 1 16 GLU -1.33 -0.74 1 17 VAL -7.27 -2.14 1 18 GLU -2.59 1.26 1 20 SER -0.47 0.06 1 21 ASP 1.80 0.06 1 23 ILE 5.61 2.64 1 24 GLU 5.24 2.04 1 25 ASN 3.41 3.18 1 26 VAL 7.52 1.65 1 28 ALA 4.26 2.50 1 29 LYS 3.26 3.72 1 30 ILE 7.05 1.91 1 31 GLN 5.98 2.89 1 32 ASP 3.51 0.95 1 33 LYS 0.78 1.27 1 34 GLU -4.19 1.24 1 36 ILE -2.83 -1.41 1 39 ASP 3.00 0.79 1 40 GLN -0.80 -0.62 1 41 GLN -1.48 0.30 1 42 ARG -1.80 -2.25 1 43 LEU -5.51 -2.31 1 44 ILE -4.74 -0.34 1 45 PHE -4.84 -1.33 1 46 ALA 2.57 -0.51 1 48 LYS -3.08 -1.90 1 49 GLN 0.44 -0.33 1 50 LEU -0.03 -0.94 1 51 GLU -2.31 -0.73 1 52 ASP 3.01 1.03 1 54 ARG -3.36 -0.95 1 56 LEU 5.64 3.21 1 57 SER 4.05 3.71 1 58 ASP 3.98 1.10 1 59 TYR -0.92 -1.20 1 60 ASN 2.51 -0.86 1 61 ILE 3.38 -1.79 1 62 GLN -4.29 -0.03 1 63 LYS 2.04 -0.79 1 65 SER 1.48 -2.44 1 66 THR 0.26 -0.75 1 67 LEU -3.06 -1.83 1 68 HIS -1.53 -0.95 1 69 LEU -3.19 -2.33 1 70 VAL -3.41 -2.30 1 71 LEU -1.61 0.23 1 72 ARG -0.84 -0.95 1 73 LEU -0.30 -0.15 1 74 ARG 0.64 0.57 1 stop_ save_