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 bmr34318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 5.54 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 LEU -6.72 -3.12 0 36 TYR -5.41 -1.61 0 71 PHE -3.59 0.06 0 37 LYS 0.66 -1.09 0 10 ILE 4.81 4.46 1 11 VAL 6.51 5.48 1 12 ALA 3.65 2.68 1 13 ALA 1.05 2.08 1 14 ILE 3.86 3.62 1 15 GLN 3.57 2.74 1 16 ALA 1.05 1.13 1 17 GLU 0.67 0.80 1 18 LYS 2.30 0.68 1 19 ASN -0.05 0.11 1 20 ARG 3.53 2.46 1 21 ALA -0.19 -0.15 1 23 SER -2.21 0.35 1 24 SER -3.30 -1.48 1 25 ARG 6.14 4.90 1 26 GLN 5.65 4.16 1 27 SER 4.79 3.72 1 28 ILE 4.79 4.77 1 29 GLN 4.91 4.42 1 30 LYS 3.75 3.29 1 31 TYR 4.82 4.47 1 32 ILE 6.61 5.87 1 33 LYS 4.30 3.30 1 34 SER 0.28 0.74 1 35 HIS 1.93 2.95 1 38 VAL -2.82 -2.11 1 40 GLU 2.09 1.71 1 41 ASN 1.35 -0.19 1 42 ALA 3.05 3.30 1 43 ASP 6.09 4.45 1 44 SER 4.34 2.96 1 45 GLN 4.52 2.60 1 46 ILE 5.57 5.08 1 47 LYS 4.93 4.53 1 48 LEU 2.94 2.77 1 49 SER 4.81 4.46 1 50 ILE 6.70 5.74 1 51 LYS 4.63 3.71 1 52 ARG 4.15 3.34 1 53 LEU 2.99 2.35 1 54 VAL 4.18 3.40 1 55 THR 6.22 5.26 1 56 THR 0.46 0.66 1 58 VAL 2.91 3.02 1 60 LYS -3.97 -1.84 1 61 GLN -2.51 -1.26 1 62 THR -0.50 -0.41 1 63 LYS 0.28 0.55 1 65 VAL 0.21 0.07 1 67 ALA 0.43 0.43 1 68 SER -0.07 0.23 1 70 SER -2.69 -1.22 1 72 ARG -6.16 -2.53 1 73 LEU 1.79 0.79 1 74 ALA 0.35 0.86 1 75 LYS 0.23 1.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 3.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.74 _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 6.69 _LACS_plot.Line_2_terminator_val_y_2 -1.15 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 LEU -6.72 3.60 0 36 TYR -5.41 3.80 0 71 PHE -3.59 3.65 0 37 LYS 0.66 -1.75 0 10 ILE 4.81 -0.35 1 11 VAL 6.51 -1.03 1 12 ALA 3.65 -0.97 1 13 ALA 1.05 1.03 1 14 ILE 3.86 -0.24 1 15 GLN 3.57 -0.83 1 16 ALA 1.05 0.08 1 17 GLU 0.67 0.13 1 18 LYS 2.30 -1.62 1 19 ASN -0.05 0.16 1 20 ARG 3.53 -1.07 1 21 ALA -0.19 0.04 1 23 SER -2.21 2.56 1 24 SER -3.30 1.82 1 25 ARG 6.14 -1.24 1 26 GLN 5.65 -1.49 1 27 SER 4.79 -1.07 1 28 ILE 4.79 -0.02 1 29 GLN 4.91 -0.49 1 30 LYS 3.75 -0.46 1 31 TYR 4.82 -0.35 1 32 ILE 6.61 -0.74 1 33 LYS 4.30 -1.00 1 34 SER 0.28 0.46 1 35 HIS 1.93 1.02 1 38 VAL -2.82 0.71 1 40 GLU 2.09 -0.38 1 41 ASN 1.35 -1.54 1 42 ALA 3.05 0.25 1 43 ASP 6.09 -1.64 1 44 SER 4.34 -1.38 1 45 GLN 4.52 -1.92 1 46 ILE 5.57 -0.49 1 47 LYS 4.93 -0.40 1 48 LEU 2.94 -0.17 1 49 SER 4.81 -0.35 1 50 ILE 6.70 -0.96 1 51 LYS 4.63 -0.92 1 52 ARG 4.15 -0.81 1 53 LEU 2.99 -0.64 1 54 VAL 4.18 -0.78 1 55 THR 6.22 -0.96 1 56 THR 0.46 0.20 1 58 VAL 2.91 0.11 1 60 LYS -3.97 2.13 1 61 GLN -2.51 1.25 1 62 THR -0.50 0.09 1 63 LYS 0.28 0.27 1 65 VAL 0.21 -0.14 1 67 ALA 0.43 0.00 1 68 SER -0.07 0.30 1 70 SER -2.69 1.47 1 72 ARG -6.16 3.63 1 73 LEU 1.79 -1.00 1 74 ALA 0.35 0.51 1 75 LYS 0.23 1.03 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ALA 1.05 -1.94 0 10 ILE 4.81 -0.69 1 11 VAL 6.51 -0.72 1 12 ALA 3.65 -0.29 1 14 ILE 3.86 -0.41 1 15 GLN 3.57 -0.26 1 16 ALA 1.05 -0.26 1 17 GLU 0.67 -0.32 1 18 LYS 2.30 -0.28 1 19 ASN -0.05 -0.06 1 20 ARG 3.53 -0.24 1 21 ALA -0.19 0.01 1 23 SER -2.21 0.50 1 24 SER -3.30 0.52 1 25 ARG 6.14 -0.49 1 26 GLN 5.65 -0.24 1 27 SER 4.79 -0.23 1 28 ILE 4.79 -0.50 1 29 GLN 4.91 -0.39 1 30 LYS 3.75 -0.22 1 31 TYR 4.82 -0.40 1 32 ILE 6.61 -0.22 1 33 LYS 4.30 -0.20 1 34 SER 0.28 -0.02 1 35 HIS 1.93 -0.48 1 36 TYR -5.41 0.38 1 37 LYS 0.66 0.26 1 38 VAL -2.82 0.26 1 40 GLU 2.09 -0.18 1 41 ASN 1.35 0.17 1 42 ALA 3.05 -0.16 1 43 ASP 6.09 -0.45 1 44 SER 4.34 -0.34 1 45 GLN 4.52 -0.53 1 46 ILE 5.57 -0.73 1 47 LYS 4.93 -0.62 1 48 LEU 2.94 -0.31 1 49 SER 4.81 -0.28 1 50 ILE 6.70 -0.93 1 51 LYS 4.63 -0.36 1 52 ARG 4.15 -0.17 1 53 LEU 2.99 -0.20 1 54 VAL 4.18 0.18 1 55 THR 6.22 -0.31 1 56 THR 0.46 0.05 1 58 VAL 2.91 -0.29 1 59 LEU -6.72 0.89 1 60 LYS -3.97 0.31 1 61 GLN -2.51 0.48 1 62 THR -0.50 -0.01 1 63 LYS 0.28 -0.03 1 65 VAL 0.21 0.02 1 67 ALA 0.43 -0.25 1 68 SER -0.07 0.09 1 70 SER -2.69 0.21 1 71 PHE -3.59 0.70 1 72 ARG -6.16 -0.17 1 73 LEU 1.79 0.18 1 74 ALA 0.35 -0.25 1 75 LYS 0.23 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34318_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 -2.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.38 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 2.52 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 ILE 6.70 0.44 0 72 ARG -6.16 -0.90 0 54 VAL 4.18 4.30 0 59 LEU -6.72 -1.94 0 10 ILE 4.81 0.71 1 11 VAL 6.51 1.32 1 12 ALA 3.65 2.49 1 13 ALA 1.05 2.20 1 14 ILE 3.86 3.73 1 15 GLN 3.57 1.70 1 16 ALA 1.05 1.02 1 17 GLU 0.67 -0.06 1 18 LYS 2.30 -0.35 1 20 ARG 3.53 0.73 1 21 ALA -0.19 -0.08 1 23 SER -2.21 -0.64 1 24 SER -3.30 0.50 1 25 ARG 6.14 1.76 1 26 GLN 5.65 2.70 1 27 SER 4.79 3.14 1 28 ILE 4.79 1.27 1 29 GLN 4.91 1.44 1 30 LYS 3.75 3.30 1 31 TYR 4.82 3.68 1 32 ILE 6.61 0.98 1 33 LYS 4.30 0.98 1 34 SER 0.28 0.78 1 35 HIS 1.93 -1.13 1 36 TYR -5.41 -1.01 1 37 LYS 0.66 -0.29 1 38 VAL -2.82 0.41 1 40 GLU 2.09 0.52 1 41 ASN 1.35 0.50 1 42 ALA 3.05 1.04 1 43 ASP 6.09 2.98 1 44 SER 4.34 2.46 1 45 GLN 4.52 3.35 1 46 ILE 5.57 0.38 1 47 LYS 4.93 2.54 1 48 LEU 2.94 2.02 1 49 SER 4.81 1.91 1 51 LYS 4.63 2.98 1 52 ARG 4.15 2.82 1 53 LEU 2.99 2.28 1 55 THR 6.22 1.96 1 56 THR 0.46 0.90 1 58 VAL 2.91 0.87 1 60 LYS -3.97 -1.63 1 61 GLN -2.51 -0.04 1 62 THR -0.50 -0.65 1 63 LYS 0.28 -0.13 1 65 VAL 0.21 0.90 1 67 ALA 0.43 0.00 1 68 SER -0.07 -0.05 1 70 SER -2.69 -1.97 1 71 PHE -3.59 -1.44 1 73 LEU 1.79 0.30 1 74 ALA 0.35 -1.30 1 stop_ save_