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 bmr26031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.14 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.06 _LACS_plot.Line_2_terminator_val_x_2 8.20 _LACS_plot.Line_2_terminator_val_y_2 6.01 _LACS_plot.Y_axis_chem_shift_offset 0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 MET 2.94 4.07 0 36 MET -4.52 -0.89 0 46 PHE -0.24 -2.21 0 11 THR 8.20 6.42 0 10 VAL 6.37 4.51 1 12 GLN 5.17 3.25 1 13 ILE 4.30 3.42 1 14 LEU 3.47 2.78 1 15 LYS 3.78 2.65 1 16 GLU 2.27 1.62 1 17 LYS 0.56 -0.13 1 18 PHE 2.32 0.46 1 20 ARG 0.66 -1.03 1 21 ALA 1.98 1.01 1 22 THR 2.21 0.62 1 23 ALA -1.69 0.37 1 24 ILE -2.93 0.08 1 25 LYS -3.02 -0.77 1 26 VAL -2.26 -1.34 1 27 THR -3.04 -1.27 1 28 ASP 1.94 0.26 1 29 ILE 2.42 -0.10 1 30 SER -2.52 -1.78 1 35 ALA -0.65 0.05 1 37 TYR -4.81 -1.38 1 38 GLU -4.52 -1.95 1 39 ILE -3.39 -2.02 1 40 LYS -2.63 -1.87 1 41 ILE -4.68 -1.80 1 42 GLU -6.14 -3.27 1 43 SER -0.05 -0.91 1 44 GLU 2.80 2.06 1 45 GLU 2.68 1.34 1 47 LYS 2.73 2.24 1 48 GLU 3.27 0.52 1 49 LYS -3.98 -2.42 1 50 ARG -0.26 -0.62 1 51 THR 7.45 5.63 1 52 VAL 5.27 3.14 1 53 GLN 2.60 2.38 1 54 GLN 5.19 2.77 1 55 HIS 2.59 3.76 1 56 GLN 5.16 3.23 1 58 VAL 6.40 4.69 1 59 ASN 4.04 3.70 1 60 GLN 4.32 2.74 1 61 ALA 2.26 1.74 1 62 LEU -0.94 -0.99 1 63 LYS 4.20 3.20 1 64 GLU 1.88 0.79 1 65 GLU -0.70 0.12 1 66 ILE 0.15 -1.11 1 67 LYS 2.51 1.53 1 68 GLU -0.49 -1.26 1 69 MET 1.40 0.62 1 70 HIS 0.21 1.41 1 72 LEU -3.66 -1.58 1 73 ARG -1.59 -1.17 1 74 ILE -1.34 -0.19 1 75 PHE -1.79 -1.27 1 76 THR -2.58 -3.18 1 77 SER -2.58 -1.32 1 78 VAL -1.46 -1.36 1 80 LYS 0.46 -0.07 1 81 ARG 0.76 0.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.14 _LACS_plot.Line_1_terminator_val_y_1 3.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.06 _LACS_plot.Line_2_terminator_val_x_2 8.20 _LACS_plot.Line_2_terminator_val_y_2 -2.19 _LACS_plot.Y_axis_chem_shift_offset 0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 MET 2.94 1.13 0 36 MET -4.52 3.63 0 46 PHE -0.24 -1.97 0 11 THR 8.20 -1.78 0 10 VAL 6.37 -1.86 1 12 GLN 5.17 -1.92 1 13 ILE 4.30 -0.88 1 14 LEU 3.47 -0.69 1 15 LYS 3.78 -1.13 1 16 GLU 2.27 -0.65 1 17 LYS 0.56 -0.69 1 18 PHE 2.32 -1.86 1 20 ARG 0.66 -1.69 1 21 ALA 1.98 -0.97 1 22 THR 2.21 -1.59 1 23 ALA -1.69 2.06 1 24 ILE -2.93 3.01 1 25 LYS -3.02 2.25 1 26 VAL -2.26 0.92 1 27 THR -3.04 1.77 1 28 ASP 1.94 -1.68 1 29 ILE 2.42 -2.52 1 30 SER -2.52 0.74 1 35 ALA -0.65 0.70 1 37 TYR -4.81 3.43 1 38 GLU -4.52 2.57 1 39 ILE -3.39 1.37 1 40 LYS -2.63 0.76 1 41 ILE -4.68 2.88 1 42 GLU -6.14 2.87 1 43 SER -0.05 -0.86 1 44 GLU 2.80 -0.74 1 45 GLU 2.68 -1.34 1 47 LYS 2.73 -0.49 1 48 GLU 3.27 -2.75 1 49 LYS -3.98 1.56 1 50 ARG -0.26 -0.36 1 51 THR 7.45 -1.82 1 52 VAL 5.27 -2.13 1 53 GLN 2.60 -0.22 1 54 GLN 5.19 -2.42 1 55 HIS 2.59 1.17 1 56 GLN 5.16 -1.93 1 58 VAL 6.40 -1.71 1 59 ASN 4.04 -0.34 1 60 GLN 4.32 -1.58 1 61 ALA 2.26 -0.52 1 62 LEU -0.94 -0.05 1 63 LYS 4.20 -1.00 1 64 GLU 1.88 -1.09 1 65 GLU -0.70 0.82 1 66 ILE 0.15 -1.26 1 67 LYS 2.51 -0.98 1 68 GLU -0.49 -0.77 1 69 MET 1.40 -0.78 1 70 HIS 0.21 1.20 1 72 LEU -3.66 2.08 1 73 ARG -1.59 0.42 1 74 ILE -1.34 1.15 1 75 PHE -1.79 0.52 1 76 THR -2.58 -0.60 1 77 SER -2.58 1.26 1 78 VAL -1.46 0.10 1 80 LYS 0.46 -0.53 1 81 ARG 0.76 0.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.14 _LACS_plot.Line_1_terminator_val_y_1 0.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 8.20 _LACS_plot.Line_2_terminator_val_y_2 -0.93 _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 40 LYS -2.63 1.20 0 11 THR 8.20 -0.07 0 10 VAL 6.37 -0.94 1 12 GLN 5.17 -0.56 1 13 ILE 4.30 -0.52 1 14 LEU 3.47 -0.36 1 15 LYS 3.78 -0.54 1 16 GLU 2.27 -0.45 1 17 LYS 0.56 -0.40 1 18 PHE 2.32 -0.08 1 20 ARG 0.66 -0.05 1 21 ALA 1.98 -0.07 1 22 THR 2.21 -0.20 1 23 ALA -1.69 0.14 1 24 ILE -2.93 0.36 1 25 LYS -3.02 0.22 1 26 VAL -2.26 0.62 1 27 THR -3.04 0.44 1 28 ASP 1.94 -0.24 1 29 ILE 2.42 0.48 1 30 SER -2.52 0.19 1 35 ALA -0.65 -0.10 1 36 MET -4.52 0.37 1 37 TYR -4.81 0.71 1 38 GLU -4.52 0.90 1 39 ILE -3.39 0.44 1 41 ILE -4.68 0.73 1 42 GLU -6.14 0.92 1 43 SER -0.05 0.20 1 44 GLU 2.80 -0.30 1 45 GLU 2.68 -0.42 1 46 PHE -0.24 -0.09 1 47 LYS 2.73 -0.42 1 48 GLU 3.27 -0.45 1 49 LYS -3.98 0.29 1 50 ARG -0.26 0.01 1 51 THR 7.45 -0.53 1 52 VAL 5.27 -0.51 1 53 GLN 2.60 -0.23 1 54 GLN 5.19 -0.39 1 55 HIS 2.59 -0.78 1 56 GLN 5.16 -0.25 1 57 MET 2.94 -0.42 1 58 VAL 6.40 -0.54 1 59 ASN 4.04 -0.68 1 60 GLN 4.32 -0.50 1 61 ALA 2.26 -0.34 1 62 LEU -0.94 0.01 1 63 LYS 4.20 -0.35 1 64 GLU 1.88 -0.26 1 65 GLU -0.70 -0.15 1 66 ILE 0.15 -0.08 1 67 LYS 2.51 -0.23 1 68 GLU -0.49 -0.06 1 69 MET 1.40 -0.20 1 70 HIS 0.21 -0.09 1 72 LEU -3.66 0.70 1 73 ARG -1.59 0.03 1 74 ILE -1.34 0.04 1 75 PHE -1.79 0.10 1 76 THR -2.58 0.77 1 77 SER -2.58 0.18 1 78 VAL -1.46 0.22 1 80 LYS 0.46 -0.19 1 81 ARG 0.76 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.14 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 8.20 _LACS_plot.Line_2_terminator_val_y_2 2.49 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 11 THR 8.20 -0.07 0 81 ARG 0.76 4.33 0 10 VAL 6.37 0.91 1 12 GLN 5.17 2.41 1 13 ILE 4.30 1.93 1 14 LEU 3.47 0.41 1 15 LYS 3.78 2.05 1 16 GLU 2.27 1.75 1 17 LYS 0.56 -1.17 1 18 PHE 2.32 -0.68 1 20 ARG 0.66 0.41 1 21 ALA 1.98 0.28 1 22 THR 2.21 0.91 1 23 ALA -1.69 -2.63 1 24 ILE -2.93 -2.26 1 25 LYS -3.02 -2.68 1 26 VAL -2.26 -1.80 1 27 THR -3.04 -1.17 1 28 ASP 1.94 0.27 1 29 ILE 2.42 -1.34 1 30 SER -2.52 0.52 1 35 ALA -0.65 -0.64 1 36 MET -4.52 -2.60 1 37 TYR -4.81 -1.93 1 38 GLU -4.52 -1.57 1 39 ILE -3.39 -3.10 1 40 LYS -2.63 -1.25 1 41 ILE -4.68 -3.81 1 42 GLU -6.14 -0.85 1 43 SER -0.05 0.67 1 44 GLU 2.80 1.39 1 45 GLU 2.68 -0.50 1 46 PHE -0.24 -0.66 1 47 LYS 2.73 -0.46 1 48 GLU 3.27 -1.55 1 49 LYS -3.98 0.28 1 50 ARG -0.26 1.91 1 51 THR 7.45 0.73 1 52 VAL 5.27 1.55 1 53 GLN 2.60 2.53 1 54 GLN 5.19 1.94 1 55 HIS 2.59 3.71 1 56 GLN 5.16 2.02 1 57 MET 2.94 2.93 1 58 VAL 6.40 0.03 1 59 ASN 4.04 2.80 1 60 GLN 4.32 2.16 1 61 ALA 2.26 0.36 1 62 LEU -0.94 -0.29 1 63 LYS 4.20 0.56 1 64 GLU 1.88 0.28 1 65 GLU -0.70 -0.06 1 66 ILE 0.15 -0.84 1 67 LYS 2.51 0.46 1 68 GLU -0.49 -0.67 1 69 MET 1.40 -0.20 1 70 HIS 0.21 1.47 1 72 LEU -3.66 -1.42 1 73 ARG -1.59 -2.66 1 74 ILE -1.34 -2.91 1 75 PHE -1.79 -1.01 1 76 THR -2.58 -0.46 1 77 SER -2.58 -2.44 1 78 VAL -1.46 -0.63 1 80 LYS 0.46 -1.14 1 stop_ save_