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 bmr25588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.80 _LACS_plot.Line_1_terminator_val_y_1 -4.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.08 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 2.43 _LACS_plot.Y_axis_chem_shift_offset 2.77 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 ARG -0.39 3.83 0 10 ALA 3.44 0.07 1 12 PHE 3.73 -0.90 1 14 GLU 3.67 0.24 1 15 ALA 3.43 0.00 1 16 PHE 4.31 1.62 1 20 ASP 0.05 -4.53 1 21 LYS 2.43 -0.71 1 22 ASP 0.17 -3.99 1 24 ASP 2.05 -4.02 1 26 THR -5.22 -4.86 1 27 ILE -1.34 -2.92 1 28 THR -5.17 -5.08 1 29 THR 6.41 2.04 1 30 LYS 3.57 0.38 1 31 GLU 3.16 0.35 1 32 LEU 3.20 0.51 1 41 GLN -0.75 -2.17 1 44 THR -2.62 -3.96 1 45 GLU 4.38 0.83 1 46 ALA 3.36 -0.08 1 47 GLU 2.85 0.43 1 48 LEU 2.70 0.17 1 49 GLN 4.13 0.30 1 50 ASP 4.07 0.71 1 53 ASN 3.64 0.18 1 56 ASP 0.30 -2.93 1 57 ALA 1.09 -0.79 1 58 ASP -0.10 -3.99 1 60 ASN -0.85 -1.95 1 62 THR -4.28 -5.01 1 63 ILE -2.28 -4.32 1 64 ASP -3.28 -4.75 1 70 THR 5.94 2.35 1 72 MET 4.21 -1.50 1 73 ALA 3.11 -0.37 1 74 ARG 4.88 0.62 1 78 ASP 0.47 -2.16 1 82 GLU 2.64 -0.52 1 83 GLU 3.64 0.59 1 84 GLU 3.11 -0.04 1 88 ALA 3.75 0.16 1 94 LYS 3.18 -0.06 1 99 TYR -5.80 -4.35 1 102 ALA 4.29 0.77 1 103 ALA 3.93 0.22 1 104 GLU 4.40 0.96 1 105 LEU 3.93 0.90 1 112 LEU -0.29 -2.73 1 115 LYS 0.43 -3.39 1 116 LEU -3.51 -3.80 1 117 THR -2.57 -3.89 1 118 ASP 5.22 1.19 1 119 GLU 4.23 0.77 1 121 VAL 5.38 1.18 1 122 ASP 3.85 0.71 1 127 GLU 2.50 -0.52 1 128 ALA -3.62 -3.33 1 129 ASP 0.44 -2.54 1 130 ILE 2.51 -0.21 1 133 ASP 0.42 -3.15 1 135 GLN -5.69 -5.13 1 137 ASN 1.72 -3.75 1 139 GLU 4.58 1.10 1 141 PHE 3.27 1.14 1 147 ALA 0.12 -2.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.80 _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 -4.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.08 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -3.97 _LACS_plot.Y_axis_chem_shift_offset 2.77 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 ARG -0.39 4.22 0 10 ALA 3.44 -3.37 1 12 PHE 3.73 -4.63 1 14 GLU 3.67 -3.43 1 15 ALA 3.43 -3.43 1 16 PHE 4.31 -2.69 1 20 ASP 0.05 -4.58 1 21 LYS 2.43 -3.14 1 22 ASP 0.17 -4.16 1 24 ASP 2.05 -6.07 1 26 THR -5.22 0.36 1 27 ILE -1.34 -1.58 1 28 THR -5.17 0.09 1 29 THR 6.41 -4.37 1 30 LYS 3.57 -3.19 1 31 GLU 3.16 -2.81 1 32 LEU 3.20 -2.69 1 41 GLN -0.75 -1.42 1 44 THR -2.62 -1.34 1 45 GLU 4.38 -3.55 1 46 ALA 3.36 -3.44 1 47 GLU 2.85 -2.42 1 48 LEU 2.70 -2.53 1 49 GLN 4.13 -3.83 1 50 ASP 4.07 -3.36 1 53 ASN 3.64 -3.46 1 56 ASP 0.30 -3.23 1 57 ALA 1.09 -1.88 1 58 ASP -0.10 -3.89 1 60 ASN -0.85 -1.10 1 62 THR -4.28 -0.73 1 63 ILE -2.28 -2.04 1 64 ASP -3.28 -1.47 1 70 THR 5.94 -3.59 1 72 MET 4.21 -5.71 1 73 ALA 3.11 -3.48 1 74 ARG 4.88 -4.26 1 78 ASP 0.47 -2.63 1 82 GLU 2.64 -3.16 1 83 GLU 3.64 -3.05 1 84 GLU 3.11 -3.15 1 88 ALA 3.75 -3.59 1 94 LYS 3.18 -3.24 1 99 TYR -5.80 1.45 1 102 ALA 4.29 -3.52 1 103 ALA 3.93 -3.71 1 104 GLU 4.40 -3.44 1 105 LEU 3.93 -3.03 1 112 LEU -0.29 -2.44 1 115 LYS 0.43 -3.82 1 116 LEU -3.51 -0.29 1 117 THR -2.57 -1.32 1 118 ASP 5.22 -4.03 1 119 GLU 4.23 -3.46 1 121 VAL 5.38 -4.20 1 122 ASP 3.85 -3.14 1 127 GLU 2.50 -3.02 1 128 ALA -3.62 0.29 1 129 ASP 0.44 -2.98 1 130 ILE 2.51 -2.72 1 133 ASP 0.42 -3.57 1 135 GLN -5.69 0.56 1 137 ASN 1.72 -5.47 1 139 GLU 4.58 -3.48 1 141 PHE 3.27 -2.13 1 147 ALA 0.12 -2.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.80 _LACS_plot.Line_1_terminator_val_y_1 0.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _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 16 PHE 4.31 -1.37 0 10 ALA 3.44 -0.29 1 12 PHE 3.73 0.30 1 15 ALA 3.43 -0.17 1 20 ASP 0.05 -0.10 1 21 LYS 2.43 -0.34 1 22 ASP 0.17 -0.06 1 26 THR -5.22 1.05 1 27 ILE -1.34 0.67 1 28 THR -5.17 0.48 1 29 THR 6.41 -0.16 1 30 LYS 3.57 -0.21 1 31 GLU 3.16 -0.35 1 32 LEU 3.20 -0.22 1 41 GLN -0.75 -0.19 1 44 THR -2.62 0.35 1 45 GLU 4.38 -0.39 1 46 ALA 3.36 -0.39 1 48 LEU 2.70 -0.26 1 49 GLN 4.13 -0.54 1 53 ASN 3.64 -0.36 1 57 ALA 1.09 -0.12 1 58 ASP -0.10 -0.01 1 60 ASN -0.85 -0.19 1 62 THR -4.28 0.42 1 63 ILE -2.28 1.00 1 64 ASP -3.28 0.79 1 72 MET 4.21 -0.48 1 73 ALA 3.11 -0.31 1 83 GLU 3.64 -0.32 1 88 ALA 3.75 -0.21 1 94 LYS 3.18 -0.42 1 99 TYR -5.80 0.51 1 102 ALA 4.29 -0.43 1 105 LEU 3.93 -0.16 1 112 LEU -0.29 -0.11 1 116 LEU -3.51 0.43 1 117 THR -2.57 0.11 1 118 ASP 5.22 -0.45 1 119 GLU 4.23 -0.29 1 121 VAL 5.38 -0.50 1 122 ASP 3.85 -0.34 1 127 GLU 2.50 -0.37 1 128 ALA -3.62 0.19 1 129 ASP 0.44 -0.15 1 130 ILE 2.51 -0.27 1 133 ASP 0.42 -0.17 1 135 GLN -5.69 0.56 1 139 GLU 4.58 -0.69 1 147 ALA 0.12 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25588_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.80 _LACS_plot.Line_1_terminator_val_y_1 -3.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.58 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 0.42 _LACS_plot.Y_axis_chem_shift_offset 1.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 THR -5.17 -0.70 0 12 PHE 3.73 0.40 1 16 PHE 4.31 -0.80 1 20 ASP 0.05 -1.80 1 21 LYS 2.43 -1.00 1 22 ASP 0.17 -1.20 1 24 ASP 2.05 -2.10 1 26 THR -5.22 -4.10 1 27 ILE -1.34 -2.90 1 29 THR 6.41 0.00 1 30 LYS 3.57 0.70 1 31 GLU 3.16 -0.10 1 32 LEU 3.20 -1.30 1 41 GLN -0.75 -2.80 1 44 THR -2.62 -2.10 1 45 GLU 4.38 -0.30 1 46 ALA 3.36 -0.10 1 47 GLU 2.85 -0.40 1 48 LEU 2.70 -1.60 1 49 GLN 4.13 -0.20 1 50 ASP 4.07 -0.20 1 53 ASN 3.64 -0.50 1 56 ASP 0.30 -3.00 1 57 ALA 1.09 -1.70 1 58 ASP -0.10 -1.00 1 60 ASN -0.85 -0.40 1 62 THR -4.28 -4.10 1 63 ILE -2.28 -3.40 1 73 ALA 3.11 -0.50 1 74 ARG 4.88 -0.50 1 78 ASP 0.47 -2.40 1 82 GLU 2.64 -1.00 1 83 GLU 3.64 -0.40 1 86 ARG -0.39 0.40 1 94 LYS 3.18 -1.00 1 99 TYR -5.80 -3.80 1 103 ALA 3.93 0.70 1 104 GLU 4.40 0.20 1 105 LEU 3.93 -1.80 1 112 LEU -0.29 -3.10 1 115 LYS 0.43 -3.80 1 116 LEU -3.51 -2.20 1 117 THR -2.57 -1.90 1 118 ASP 5.22 -0.40 1 119 GLU 4.23 -0.10 1 122 ASP 3.85 0.10 1 127 GLU 2.50 -2.10 1 130 ILE 2.51 -1.20 1 137 ASN 1.72 -3.00 1 139 GLU 4.58 1.10 1 stop_ save_