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 bmr30556_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.12 _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 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 6.03 _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 64 LYS 7.87 6.80 0 66 LYS 6.93 2.85 0 12 GLN 4.73 3.58 1 13 VAL 4.99 3.91 1 15 TRP 3.66 2.63 1 17 ALA 2.91 2.30 1 18 ARG 5.55 2.75 1 19 ASP 5.44 3.66 1 20 GLU 2.96 2.92 1 21 TYR 4.35 3.45 1 22 TRP 2.20 1.32 1 25 LEU 3.43 3.45 1 26 ASP 3.93 3.06 1 27 GLU 1.06 1.43 1 28 ASN -0.40 0.24 1 29 LEU 4.59 1.45 1 30 GLU 0.94 0.58 1 31 ASP 0.14 -1.07 1 32 ALA 2.58 2.05 1 33 SER 4.75 3.58 1 34 GLN -0.07 -0.01 1 36 LYS 4.72 4.44 1 37 LYS 5.28 3.77 1 38 LEU 1.89 1.82 1 39 ARG 4.68 2.05 1 40 SER 5.41 3.91 1 41 SER 4.53 3.43 1 42 PHE 2.37 1.67 1 43 GLU 2.79 2.15 1 44 SER 1.99 1.84 1 45 SER 0.07 1.69 1 48 GLN 5.20 4.20 1 49 GLN 4.32 3.36 1 50 TRP 3.39 2.38 1 51 ILE 5.66 4.32 1 52 LYS 3.74 3.10 1 53 TYR 4.27 3.62 1 54 PHE 3.69 2.08 1 55 ASP 4.88 3.48 1 58 ARG 1.28 -0.34 1 59 ASP -2.12 -0.70 1 60 TYR 0.73 2.70 1 61 LEU 3.88 3.02 1 62 LYS 2.17 1.10 1 63 PHE 3.91 3.39 1 67 PHE -0.39 -0.48 1 69 ALA 1.58 1.32 1 71 GLN 0.66 0.40 1 72 PHE -0.40 1.64 1 75 SER -0.14 0.09 1 76 GLU -0.38 0.07 1 77 THR 0.00 0.02 1 78 THR 0.20 0.21 1 79 ALA -0.19 0.04 1 80 LYS -0.04 0.01 1 81 SER 1.86 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30556_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.12 _LACS_plot.Line_1_terminator_val_y_1 1.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 -1.83 _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 64 LYS 7.87 -1.07 0 66 LYS 6.93 -4.08 0 12 GLN 4.73 -1.15 1 13 VAL 4.99 -1.08 1 15 TRP 3.66 -1.03 1 17 ALA 2.91 -0.61 1 18 ARG 5.55 -2.80 1 19 ASP 5.44 -1.78 1 20 GLU 2.96 -0.04 1 21 TYR 4.35 -0.90 1 22 TRP 2.20 -0.88 1 25 LEU 3.43 0.02 1 26 ASP 3.93 -0.87 1 27 GLU 1.06 0.37 1 28 ASN -0.40 0.64 1 29 LEU 4.59 -3.14 1 30 GLU 0.94 -0.36 1 31 ASP 0.14 -1.21 1 32 ALA 2.58 -0.53 1 33 SER 4.75 -1.17 1 34 GLN -0.07 0.06 1 36 LYS 4.72 -0.28 1 37 LYS 5.28 -1.51 1 38 LEU 1.89 -0.07 1 39 ARG 4.68 -2.63 1 40 SER 5.41 -1.50 1 41 SER 4.53 -1.10 1 42 PHE 2.37 -0.70 1 43 GLU 2.79 -0.64 1 44 SER 1.99 -0.15 1 45 SER 0.07 1.62 1 48 GLN 5.20 -1.00 1 49 GLN 4.32 -0.96 1 50 TRP 3.39 -1.01 1 51 ILE 5.66 -1.34 1 52 LYS 3.74 -0.64 1 53 TYR 4.27 -0.65 1 54 PHE 3.69 -1.61 1 55 ASP 4.88 -1.40 1 58 ARG 1.28 -1.62 1 59 ASP -2.12 1.42 1 60 TYR 0.73 1.97 1 61 LEU 3.88 -0.86 1 62 LYS 2.17 -1.07 1 63 PHE 3.91 -0.52 1 67 PHE -0.39 -0.09 1 69 ALA 1.58 -0.26 1 71 GLN 0.66 -0.26 1 72 PHE -0.40 2.04 1 75 SER -0.14 0.23 1 76 GLU -0.38 0.45 1 77 THR 0.00 0.02 1 78 THR 0.20 0.01 1 79 ALA -0.19 0.23 1 80 LYS -0.04 0.05 1 81 SER 1.86 -0.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30556_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.12 _LACS_plot.Line_1_terminator_val_y_1 0.10 _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 0.10 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 18 ARG 5.55 -1.84 0 12 GLN 4.73 -0.33 1 13 VAL 4.99 -0.32 1 15 TRP 3.66 -0.56 1 17 ALA 2.91 -0.10 1 19 ASP 5.44 -0.47 1 20 GLU 2.96 -0.29 1 21 TYR 4.35 -0.19 1 22 TRP 2.20 -0.66 1 25 LEU 3.43 0.00 1 26 ASP 3.93 -0.36 1 27 GLU 1.06 -0.23 1 28 ASN -0.40 0.23 1 29 LEU 4.59 -0.21 1 30 GLU 0.94 -0.80 1 31 ASP 0.14 0.06 1 32 ALA 2.58 -0.55 1 33 SER 4.75 -0.24 1 34 GLN -0.07 -0.04 1 36 LYS 4.72 -0.20 1 37 LYS 5.28 -0.07 1 38 LEU 1.89 0.01 1 39 ARG 4.68 -0.87 1 40 SER 5.41 -0.15 1 41 SER 4.53 -0.15 1 42 PHE 2.37 -0.29 1 43 GLU 2.79 -0.68 1 44 SER 1.99 -0.02 1 45 SER 0.07 0.10 1 48 GLN 5.20 -0.43 1 49 GLN 4.32 -0.22 1 50 TRP 3.39 -0.33 1 51 ILE 5.66 -0.55 1 52 LYS 3.74 -0.18 1 53 TYR 4.27 -0.47 1 54 PHE 3.69 -0.01 1 55 ASP 4.88 0.23 1 58 ARG 1.28 0.05 1 59 ASP -2.12 0.77 1 60 TYR 0.73 -0.31 1 61 LEU 3.88 -0.72 1 62 LYS 2.17 -0.15 1 63 PHE 3.91 -0.30 1 64 LYS 7.87 0.08 1 66 LYS 6.93 -0.80 1 67 PHE -0.39 -0.13 1 69 ALA 1.58 -0.18 1 71 GLN 0.66 -0.17 1 72 PHE -0.40 -0.54 1 75 SER -0.14 -0.05 1 76 GLU -0.38 0.03 1 77 THR 0.00 0.07 1 78 THR 0.20 0.04 1 79 ALA -0.19 0.01 1 80 LYS -0.04 0.04 1 81 SER 1.86 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30556_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.12 _LACS_plot.Line_1_terminator_val_y_1 -0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.29 _LACS_plot.Line_2_terminator_val_x_2 7.86 _LACS_plot.Line_2_terminator_val_y_2 3.07 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 LYS 7.87 0.42 0 72 PHE -0.40 4.09 0 12 GLN 4.73 3.67 1 13 VAL 4.99 2.37 1 15 TRP 3.66 2.51 1 17 ALA 2.91 3.65 1 18 ARG 5.55 0.51 1 19 ASP 5.44 3.37 1 20 GLU 2.96 2.58 1 21 TYR 4.35 0.61 1 22 TRP 2.20 1.59 1 25 LEU 3.43 -0.75 1 26 ASP 3.93 3.68 1 27 GLU 1.06 0.49 1 28 ASN -0.40 -0.63 1 29 LEU 4.59 -0.27 1 30 GLU 0.94 -0.45 1 31 ASP 0.14 -0.56 1 32 ALA 2.58 2.91 1 33 SER 4.75 1.91 1 37 LYS 5.28 3.25 1 38 LEU 1.89 3.19 1 39 ARG 4.68 1.82 1 40 SER 5.41 3.03 1 41 SER 4.53 2.03 1 42 PHE 2.37 0.24 1 43 GLU 2.79 1.67 1 44 SER 1.99 1.35 1 45 SER 0.07 -1.86 1 48 GLN 5.20 2.37 1 49 GLN 4.32 1.70 1 50 TRP 3.39 0.80 1 51 ILE 5.66 0.77 1 52 LYS 3.74 1.99 1 53 TYR 4.27 1.19 1 54 PHE 3.69 2.55 1 55 ASP 4.88 3.38 1 58 ARG 1.28 0.47 1 59 ASP -2.12 -0.03 1 60 TYR 0.73 2.44 1 61 LEU 3.88 2.40 1 62 LYS 2.17 2.28 1 66 LYS 6.93 0.94 1 67 PHE -0.39 -0.63 1 69 ALA 1.58 0.83 1 71 GLN 0.66 -0.46 1 75 SER -0.14 0.14 1 76 GLU -0.38 0.15 1 77 THR 0.00 0.08 1 78 THR 0.20 -0.42 1 79 ALA -0.19 -0.28 1 80 LYS -0.04 -0.71 1 81 SER 1.86 4.08 1 stop_ save_