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 bmr17137_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 -3.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 4.68 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 HIS -8.53 -0.84 0 10 ASP 4.81 3.05 1 11 ALA 3.47 2.58 1 12 GLN 4.95 4.45 1 13 GLU 3.55 2.63 1 14 LEU 3.76 2.89 1 15 ILE 3.41 3.43 1 16 ALA 3.89 2.34 1 17 ARG 0.35 0.05 1 19 ALA -0.06 0.16 1 20 LYS -2.73 -2.39 1 21 LEU -3.88 -1.92 1 22 ILE -1.89 -0.93 1 23 ASP -4.09 -2.22 1 24 ILE 0.08 -0.75 1 25 ARG 0.79 0.70 1 26 ASP -0.74 0.13 1 27 ALA 4.03 3.34 1 28 ASP 4.20 2.82 1 29 GLU 2.69 2.40 1 30 TYR 2.30 3.08 1 31 LEU 2.89 2.45 1 32 ARG 3.04 3.00 1 33 GLU -2.56 -0.29 1 34 HIS -2.35 -0.67 1 35 ILE 1.78 1.76 1 37 GLU 2.95 1.92 1 38 ALA -2.15 -0.19 1 39 ASP -4.67 -0.62 1 40 LEU 0.41 -0.27 1 41 ALA -1.01 -0.59 1 43 LEU 4.01 3.37 1 44 SER 4.79 2.83 1 45 VAL 4.48 3.35 1 46 LEU 3.28 2.54 1 47 GLU 2.23 2.62 1 48 GLN 1.56 2.05 1 49 SER -1.13 -0.07 1 51 LEU -1.99 -0.48 1 53 ALA 4.22 3.28 1 54 LYS 2.82 1.55 1 55 LEU -0.43 -1.18 1 56 ARG 2.61 1.26 1 57 HIS -3.71 0.82 1 58 GLU 2.37 2.60 1 59 GLN -3.94 -0.39 1 60 ILE -5.74 -1.42 1 61 ILE -4.11 -2.63 1 62 PHE -4.50 -0.68 1 65 GLN 4.50 4.22 1 66 ALA -3.08 -1.77 1 68 LYS 3.04 2.51 1 69 ARG 4.07 3.93 1 70 THR 5.80 4.18 1 71 SER 5.74 4.29 1 72 ASN 2.24 2.19 1 73 ASN -1.14 -0.20 1 74 ALA 4.14 4.52 1 75 ASP 4.17 2.86 1 76 LYS 3.51 2.72 1 77 LEU 5.00 2.65 1 78 ALA 3.39 2.36 1 79 ALA 2.96 2.11 1 80 ILE 2.88 3.18 1 81 ALA -2.03 -0.99 1 82 ALA 2.57 1.49 1 84 ALA 0.35 0.88 1 85 GLU -0.79 -0.07 1 86 ILE -3.58 -1.90 1 87 PHE -6.91 -2.87 1 88 LEU -3.12 -2.41 1 89 LEU -1.06 -0.01 1 90 GLU 1.10 1.87 1 91 ASP 3.69 1.61 1 93 ILE 3.25 2.82 1 94 ASP 6.22 4.25 1 96 TRP 4.36 4.18 1 97 LYS 4.28 3.49 1 98 ARG 3.93 3.43 1 99 ALA 0.57 -0.32 1 101 LEU 4.54 0.04 1 103 VAL -5.52 -2.50 1 104 ALA -2.14 -1.77 1 105 VAL -3.71 -2.03 1 106 ASN -0.02 0.53 1 107 LYS 0.76 1.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17137_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 5.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.90 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 HIS -8.53 7.69 0 10 ASP 4.81 -1.76 1 11 ALA 3.47 -0.89 1 12 GLN 4.95 -0.50 1 13 GLU 3.55 -0.92 1 14 LEU 3.76 -0.87 1 15 ILE 3.41 0.02 1 16 ALA 3.89 -1.55 1 17 ARG 0.35 -0.30 1 19 ALA -0.06 0.22 1 20 LYS -2.73 0.34 1 21 LEU -3.88 1.96 1 22 ILE -1.89 0.96 1 23 ASP -4.09 1.87 1 24 ILE 0.08 -0.83 1 25 ARG 0.79 -0.09 1 26 ASP -0.74 0.87 1 27 ALA 4.03 -0.69 1 28 ASP 4.20 -1.38 1 29 GLU 2.69 -0.29 1 30 TYR 2.30 0.78 1 31 LEU 2.89 -0.44 1 32 ARG 3.04 -0.04 1 33 GLU -2.56 2.27 1 34 HIS -2.35 1.68 1 35 ILE 1.78 -0.02 1 37 GLU 2.95 -1.03 1 38 ALA -2.15 1.96 1 39 ASP -4.67 4.05 1 40 LEU 0.41 -0.68 1 41 ALA -1.01 0.42 1 43 LEU 4.01 -0.64 1 44 SER 4.79 -1.96 1 45 VAL 4.48 -1.13 1 46 LEU 3.28 -0.74 1 47 GLU 2.23 0.39 1 48 GLN 1.56 0.49 1 49 SER -1.13 1.06 1 51 LEU -1.99 1.51 1 53 ALA 4.22 -0.94 1 54 LYS 2.82 -1.27 1 55 LEU -0.43 -0.75 1 56 ARG 2.61 -1.35 1 57 HIS -3.71 4.53 1 58 GLU 2.37 0.23 1 59 GLN -3.94 3.55 1 60 ILE -5.74 4.32 1 61 ILE -4.11 1.48 1 62 PHE -4.50 3.82 1 65 GLN 4.50 -0.28 1 66 ALA -3.08 1.31 1 68 LYS 3.04 -0.53 1 69 ARG 4.07 -0.14 1 70 THR 5.80 -1.62 1 71 SER 5.74 -1.45 1 72 ASN 2.24 -0.05 1 73 ASN -1.14 0.94 1 74 ALA 4.14 0.38 1 75 ASP 4.17 -1.31 1 76 LYS 3.51 -0.79 1 77 LEU 5.00 -2.35 1 78 ALA 3.39 -1.03 1 79 ALA 2.96 -0.85 1 80 ILE 2.88 0.30 1 81 ALA -2.03 1.04 1 82 ALA 2.57 -1.08 1 84 ALA 0.35 0.53 1 85 GLU -0.79 0.72 1 86 ILE -3.58 1.68 1 87 PHE -6.91 4.04 1 88 LEU -3.12 0.71 1 89 LEU -1.06 1.05 1 90 GLU 1.10 0.77 1 91 ASP 3.69 -2.08 1 93 ILE 3.25 -0.43 1 94 ASP 6.22 -1.97 1 96 TRP 4.36 -0.18 1 97 LYS 4.28 -0.79 1 98 ARG 3.93 -0.50 1 99 ALA 0.57 -0.89 1 101 LEU 4.54 -4.50 1 103 VAL -5.52 3.02 1 104 ALA -2.14 0.37 1 105 VAL -3.71 1.68 1 106 ASN -0.02 0.55 1 107 LYS 0.76 0.88 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17137_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 0.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _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 6.22 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 ASP -4.09 -0.81 0 10 ASP 4.81 -0.27 1 11 ALA 3.47 -0.52 1 12 GLN 4.95 -0.33 1 13 GLU 3.55 -0.29 1 14 LEU 3.76 -0.44 1 15 ILE 3.41 -0.23 1 16 ALA 3.89 -0.12 1 17 ARG 0.35 0.08 1 19 ALA -0.06 -0.08 1 20 LYS -2.73 0.00 1 21 LEU -3.88 0.82 1 22 ILE -1.89 0.51 1 24 ILE 0.08 1.10 1 25 ARG 0.79 -0.15 1 26 ASP -0.74 -0.01 1 27 ALA 4.03 -0.35 1 28 ASP 4.20 -0.32 1 29 GLU 2.69 -0.23 1 30 TYR 2.30 -0.54 1 31 LEU 2.89 -0.41 1 32 ARG 3.04 -0.22 1 33 GLU -2.56 0.57 1 34 HIS -2.35 -0.09 1 35 ILE 1.78 -0.48 1 37 GLU 2.95 -0.25 1 38 ALA -2.15 0.17 1 39 ASP -4.67 0.23 1 40 LEU 0.41 0.00 1 41 ALA -1.01 -0.17 1 43 LEU 4.01 -0.44 1 44 SER 4.79 -0.31 1 45 VAL 4.48 -0.28 1 46 LEU 3.28 -0.50 1 47 GLU 2.23 -0.52 1 48 GLN 1.56 -0.05 1 49 SER -1.13 0.20 1 51 LEU -1.99 -0.42 1 53 ALA 4.22 -0.43 1 54 LYS 2.82 -0.14 1 55 LEU -0.43 -0.02 1 56 ARG 2.61 -0.33 1 57 HIS -3.71 -0.11 1 58 GLU 2.37 -0.29 1 59 GLN -3.94 1.15 1 60 ILE -5.74 0.38 1 61 ILE -4.11 0.85 1 62 PHE -4.50 1.20 1 63 HIS -8.53 1.26 1 65 GLN 4.50 -0.12 1 66 ALA -3.08 0.81 1 68 LYS 3.04 -0.14 1 69 ARG 4.07 -0.11 1 70 THR 5.80 -0.73 1 71 SER 5.74 -0.48 1 72 ASN 2.24 -0.13 1 73 ASN -1.14 0.43 1 74 ALA 4.14 -0.57 1 75 ASP 4.17 -0.38 1 76 LYS 3.51 -0.25 1 77 LEU 5.00 -0.77 1 78 ALA 3.39 -0.32 1 79 ALA 2.96 -0.14 1 80 ILE 2.88 -0.35 1 81 ALA -2.03 0.16 1 82 ALA 2.57 -0.14 1 84 ALA 0.35 -0.17 1 85 GLU -0.79 -0.09 1 86 ILE -3.58 1.12 1 87 PHE -6.91 0.81 1 88 LEU -3.12 1.02 1 89 LEU -1.06 0.12 1 90 GLU 1.10 -0.44 1 91 ASP 3.69 -0.44 1 93 ILE 3.25 -0.26 1 94 ASP 6.22 -0.20 1 96 TRP 4.36 -0.85 1 97 LYS 4.28 -0.22 1 98 ARG 3.93 -0.28 1 99 ALA 0.57 -0.03 1 101 LEU 4.54 -0.38 1 103 VAL -5.52 0.53 1 104 ALA -2.14 0.24 1 105 VAL -3.71 0.50 1 106 ASN -0.02 0.02 1 107 LYS 0.76 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17137_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 -3.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 2.36 _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 63 HIS -8.53 3.89 0 10 ASP 4.81 2.78 1 11 ALA 3.47 0.40 1 12 GLN 4.95 2.46 1 13 GLU 3.55 1.70 1 14 LEU 3.76 3.12 1 15 ILE 3.41 3.64 1 16 ALA 3.89 1.33 1 17 ARG 0.35 0.08 1 19 ALA -0.06 -1.64 1 20 LYS -2.73 -2.74 1 21 LEU -3.88 -3.61 1 22 ILE -1.89 -3.32 1 23 ASP -4.09 -0.33 1 24 ILE 0.08 2.28 1 25 ARG 0.79 -4.66 1 26 ASP -0.74 1.57 1 27 ALA 4.03 1.49 1 28 ASP 4.20 2.35 1 29 GLU 2.69 1.81 1 31 LEU 2.89 1.18 1 32 ARG 3.04 0.64 1 33 GLU -2.56 -3.20 1 34 HIS -2.35 -2.25 1 35 ILE 1.78 -3.16 1 37 GLU 2.95 -0.41 1 38 ALA -2.15 0.18 1 40 LEU 0.41 -1.52 1 41 ALA -1.01 0.15 1 43 LEU 4.01 -0.85 1 44 SER 4.79 2.44 1 45 VAL 4.48 1.95 1 46 LEU 3.28 2.34 1 47 GLU 2.23 0.36 1 48 GLN 1.56 1.53 1 49 SER -1.13 0.17 1 53 ALA 4.22 2.64 1 54 LYS 2.82 0.02 1 55 LEU -0.43 -3.18 1 56 ARG 2.61 -0.89 1 57 HIS -3.71 -0.38 1 58 GLU 2.37 0.12 1 59 GLN -3.94 -1.79 1 60 ILE -5.74 -3.16 1 61 ILE -4.11 -1.34 1 62 PHE -4.50 0.28 1 65 GLN 4.50 -1.55 1 66 ALA -3.08 -0.19 1 68 LYS 3.04 1.48 1 69 ARG 4.07 4.60 1 70 THR 5.80 1.62 1 71 SER 5.74 2.98 1 72 ASN 2.24 0.25 1 73 ASN -1.14 -0.97 1 74 ALA 4.14 0.02 1 75 ASP 4.17 2.78 1 76 LYS 3.51 2.18 1 77 LEU 5.00 0.38 1 78 ALA 3.39 1.73 1 80 ILE 2.88 0.82 1 81 ALA -2.03 -1.72 1 84 ALA 0.35 -1.34 1 85 GLU -0.79 -1.59 1 86 ILE -3.58 -2.05 1 87 PHE -6.91 -1.43 1 88 LEU -3.12 -1.20 1 89 LEU -1.06 -1.01 1 90 GLU 1.10 -1.48 1 91 ASP 3.69 -0.17 1 93 ILE 3.25 0.06 1 94 ASP 6.22 3.84 1 96 TRP 4.36 0.89 1 97 LYS 4.28 5.37 1 98 ARG 3.93 1.28 1 99 ALA 0.57 -1.08 1 103 VAL -5.52 -2.12 1 104 ALA -2.14 -1.72 1 105 VAL -3.71 -0.83 1 106 ASN -0.02 -1.39 1 stop_ save_