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 bmr25748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -2.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -0.46 _LACS_plot.Line_2_terminator_val_x_2 3.89 _LACS_plot.Line_2_terminator_val_y_2 2.47 _LACS_plot.Y_axis_chem_shift_offset -0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 HIS -3.10 2.21 0 11 ALA -2.54 -0.99 1 14 ALA 3.90 3.37 1 18 TYR -3.56 -1.18 1 19 ALA -7.00 -1.90 1 20 GLU -6.19 -0.16 1 22 GLU 3.71 3.54 1 24 LEU -0.66 -0.86 1 25 VAL 0.58 2.94 1 26 LYS 0.20 1.22 1 28 PHE -5.64 -1.43 1 31 ALA -3.30 0.17 1 33 ALA -3.87 -1.55 1 35 PHE -0.82 0.21 1 36 THR -2.57 -0.08 1 37 ILE -0.93 0.57 1 38 PHE 0.90 0.20 1 39 ALA -3.17 -0.60 1 40 VAL -2.99 -0.18 1 42 THR 2.98 2.66 1 43 LYS -0.08 -0.82 1 46 ALA 2.54 2.10 1 47 ARG 0.94 -0.34 1 52 ASP -0.87 0.10 1 55 GLU -4.72 -1.28 1 56 VAL -1.95 -0.42 1 57 ALA -3.60 -1.16 1 58 ILE -2.33 -0.33 1 59 ASN -4.25 -0.50 1 62 ASP 2.08 1.34 1 64 LEU -0.18 1.29 1 65 VAL 0.98 1.20 1 66 VAL -1.64 -0.46 1 67 ASP -0.81 -0.13 1 68 ALA -2.73 -0.96 1 69 LYS -0.31 0.08 1 70 VAL -1.34 -0.54 1 71 THR -0.94 0.43 1 72 ASP -0.84 -0.51 1 73 ASN 2.30 1.41 1 74 ASN 2.92 1.67 1 75 ASP -1.51 -1.02 1 77 THR -5.50 -1.95 1 78 TYR -3.17 -1.33 1 80 VAL -1.37 -0.89 1 81 VAL -4.74 -1.72 1 82 TYR -4.36 -1.34 1 83 ASP -3.02 -0.54 1 84 ALA -0.67 0.83 1 86 VAL -5.84 -2.53 1 87 GLU 0.68 1.25 1 89 ASN -0.85 1.59 1 90 TYR -1.46 -0.43 1 91 ASN -3.04 0.58 1 92 VAL -0.51 0.18 1 93 ASN -4.77 -1.76 1 94 VAL -1.08 -0.72 1 95 THR -6.27 -2.49 1 96 LEU -3.58 -1.14 1 97 ARG 3.82 1.36 1 101 ILE 1.70 -0.48 1 103 ASN 2.68 1.63 1 106 ILE -5.11 -0.70 1 107 ASP -1.62 0.41 1 109 LYS -0.99 -0.11 1 111 ILE -4.24 -1.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 4.84 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.54 _LACS_plot.Line_2_terminator_val_x_2 3.89 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _LACS_plot.Y_axis_chem_shift_offset -0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 HIS -3.10 5.31 0 11 ALA -2.54 1.55 1 14 ALA 3.90 -0.53 1 18 TYR -3.56 2.38 1 19 ALA -7.00 5.10 1 20 GLU -6.19 6.03 1 22 GLU 3.71 -0.17 1 24 LEU -0.66 -0.20 1 25 VAL 0.58 2.36 1 26 LYS 0.20 1.02 1 28 PHE -5.64 4.21 1 31 ALA -3.30 3.47 1 33 ALA -3.87 2.32 1 35 PHE -0.82 1.03 1 36 THR -2.57 2.49 1 37 ILE -0.93 1.50 1 38 PHE 0.90 -0.70 1 39 ALA -3.17 2.57 1 40 VAL -2.99 2.81 1 42 THR 2.98 -0.32 1 43 LYS -0.08 -0.74 1 46 ALA 2.54 -0.44 1 47 ARG 0.94 -1.28 1 52 ASP -0.87 0.97 1 55 GLU -4.72 3.44 1 56 VAL -1.95 1.53 1 57 ALA -3.60 2.44 1 58 ILE -2.33 2.00 1 59 ASN -4.25 3.75 1 62 ASP 2.08 -0.74 1 64 LEU -0.18 1.47 1 65 VAL 0.98 0.22 1 66 VAL -1.64 1.18 1 67 ASP -0.81 0.68 1 68 ALA -2.73 1.77 1 69 LYS -0.31 0.39 1 70 VAL -1.34 0.80 1 71 THR -0.94 1.37 1 72 ASP -0.84 0.33 1 73 ASN 2.30 -0.89 1 74 ASN 2.92 -1.25 1 75 ASP -1.51 0.49 1 77 THR -5.50 3.55 1 78 TYR -3.17 1.84 1 80 VAL -1.37 0.48 1 81 VAL -4.74 3.02 1 82 TYR -4.36 3.02 1 83 ASP -3.02 2.48 1 84 ALA -0.67 1.50 1 86 VAL -5.84 3.31 1 87 GLU 0.68 0.57 1 89 ASN -0.85 2.44 1 90 TYR -1.46 1.03 1 91 ASN -3.04 3.62 1 92 VAL -0.51 0.69 1 93 ASN -4.77 3.01 1 94 VAL -1.08 0.36 1 95 THR -6.27 3.78 1 96 LEU -3.58 2.44 1 97 ARG 3.82 -2.46 1 101 ILE 1.70 -2.18 1 103 ASN 2.68 -1.05 1 106 ILE -5.11 4.41 1 107 ASP -1.62 2.03 1 109 LYS -0.99 0.88 1 111 ILE -4.24 2.87 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.19 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 3.89 _LACS_plot.Line_2_terminator_val_y_2 -0.36 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 ALA -0.67 -0.85 0 11 ALA -2.54 0.13 1 14 ALA 3.90 -0.20 1 16 HIS -3.10 0.07 1 18 TYR -3.56 0.48 1 20 GLU -6.19 0.47 1 22 GLU 3.71 -0.18 1 24 LEU -0.66 0.10 1 25 VAL 0.58 0.01 1 28 PHE -5.64 1.17 1 31 ALA -3.30 0.26 1 33 ALA -3.87 0.24 1 35 PHE -0.82 0.50 1 36 THR -2.57 0.86 1 37 ILE -0.93 -0.05 1 38 PHE 0.90 -0.35 1 39 ALA -3.17 0.30 1 40 VAL -2.99 0.24 1 42 THR 2.98 -0.30 1 43 LYS -0.08 0.15 1 46 ALA 2.54 0.23 1 47 ARG 0.94 0.11 1 52 ASP -0.87 0.24 1 55 GLU -4.72 0.24 1 56 VAL -1.95 0.53 1 57 ALA -3.60 0.56 1 58 ILE -2.33 0.98 1 62 ASP 2.08 -0.38 1 64 LEU -0.18 -0.22 1 65 VAL 0.98 0.23 1 66 VAL -1.64 0.09 1 67 ASP -0.81 0.18 1 68 ALA -2.73 0.36 1 69 LYS -0.31 0.26 1 71 THR -0.94 0.06 1 72 ASP -0.84 -0.37 1 73 ASN 2.30 -0.23 1 74 ASN 2.92 -0.70 1 77 THR -5.50 1.22 1 78 TYR -3.17 0.48 1 80 VAL -1.37 0.75 1 81 VAL -4.74 1.22 1 82 TYR -4.36 0.49 1 83 ASP -3.02 0.05 1 86 VAL -5.84 0.55 1 87 GLU 0.68 -0.21 1 90 TYR -1.46 0.17 1 92 VAL -0.51 0.09 1 93 ASN -4.77 0.52 1 96 LEU -3.58 0.01 1 97 ARG 3.82 -0.49 1 101 ILE 1.70 0.57 1 103 ASN 2.68 -0.38 1 106 ILE -5.11 0.38 1 107 ASP -1.62 0.91 1 109 LYS -0.99 0.41 1 111 ILE -4.24 0.56 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -1.61 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 3.89 _LACS_plot.Line_2_terminator_val_y_2 -1.02 _LACS_plot.Y_axis_chem_shift_offset 1.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 HIS -3.10 3.00 0 14 ALA 3.90 -0.90 1 18 TYR -3.56 -4.90 1 19 ALA -7.00 -2.00 1 22 GLU 3.71 -1.40 1 24 LEU -0.66 -1.40 1 25 VAL 0.58 -1.10 1 26 LYS 0.20 -3.80 1 28 PHE -5.64 1.00 1 31 ALA -3.30 -1.40 1 33 ALA -3.87 -1.90 1 35 PHE -0.82 -4.40 1 36 THR -2.57 -1.70 1 38 PHE 0.90 -2.10 1 39 ALA -3.17 -0.20 1 40 VAL -2.99 -2.10 1 42 THR 2.98 0.90 1 43 LYS -0.08 0.30 1 46 ALA 2.54 1.90 1 47 ARG 0.94 0.70 1 52 ASP -0.87 1.20 1 55 GLU -4.72 -2.10 1 56 VAL -1.95 -2.40 1 57 ALA -3.60 -1.60 1 58 ILE -2.33 -2.30 1 59 ASN -4.25 0.00 1 62 ASP 2.08 -0.20 1 64 LEU -0.18 -1.40 1 65 VAL 0.98 -0.30 1 66 VAL -1.64 -1.70 1 67 ASP -0.81 -1.20 1 68 ALA -2.73 -1.40 1 69 LYS -0.31 -0.80 1 70 VAL -1.34 0.00 1 71 THR -0.94 -1.80 1 72 ASP -0.84 -0.10 1 73 ASN 2.30 -0.60 1 74 ASN 2.92 -2.00 1 75 ASP -1.51 -0.70 1 77 THR -5.50 0.50 1 78 TYR -3.17 -0.20 1 80 VAL -1.37 -1.10 1 81 VAL -4.74 -1.50 1 83 ASP -3.02 -2.60 1 84 ALA -0.67 -1.10 1 86 VAL -5.84 -1.10 1 87 GLU 0.68 -2.50 1 89 ASN -0.85 -0.70 1 90 TYR -1.46 -2.30 1 91 ASN -3.04 -1.70 1 92 VAL -0.51 -3.30 1 93 ASN -4.77 -0.30 1 94 VAL -1.08 -1.70 1 95 THR -6.27 -1.70 1 96 LEU -3.58 -1.50 1 97 ARG 3.82 -0.30 1 101 ILE 1.70 -2.10 1 103 ASN 2.68 -3.00 1 106 ILE -5.11 -3.10 1 107 ASP -1.62 -0.90 1 109 LYS -0.99 -1.80 1 111 ILE -4.24 -2.00 1 stop_ save_