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 bmr25576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.53 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 4.76 _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 89 HIS -2.94 1.61 0 65 TYR 5.89 5.71 0 15 MET 0.71 0.36 1 16 SER 0.10 0.24 1 17 ASP 0.78 0.62 1 18 GLN 0.22 0.23 1 19 GLU -0.48 -0.12 1 20 ALA -0.20 -0.18 1 21 LYS -0.13 -0.14 1 23 SER -0.05 0.00 1 24 THR 0.39 0.17 1 25 GLU 0.21 0.18 1 26 ASP -0.04 0.02 1 27 LEU 0.55 0.28 1 29 ASP 0.14 0.19 1 30 LYS 4.01 0.38 1 31 LYS 0.40 -0.02 1 32 GLU 0.13 0.49 1 34 GLU -0.78 0.13 1 35 TYR -3.29 -0.47 1 36 ILE -4.99 -1.41 1 37 LYS -1.21 -0.57 1 38 LEU -6.52 -2.26 1 39 LYS -2.90 -1.08 1 40 VAL -0.38 -1.01 1 41 ILE -2.24 -1.19 1 43 GLN 2.78 2.11 1 44 ASP 0.30 -0.93 1 45 SER 3.76 2.23 1 46 SER 0.08 0.29 1 47 GLU -4.09 -1.39 1 48 ILE -2.94 -0.83 1 49 HIS -3.64 -0.23 1 50 PHE -5.53 -0.70 1 51 LYS -1.12 -0.75 1 52 VAL -5.79 -3.26 1 53 LYS 3.13 0.61 1 54 MET 3.92 1.92 1 55 THR -0.69 -1.65 1 56 THR 1.51 1.35 1 57 HIS 1.21 2.37 1 58 LEU 4.85 3.69 1 59 LYS 4.17 4.46 1 60 LYS 3.88 2.42 1 61 LEU 3.92 3.41 1 62 LYS 4.20 3.51 1 63 GLU 2.81 3.03 1 64 SER 4.19 3.65 1 67 GLN 4.46 3.27 1 68 ARG 3.78 2.55 1 69 GLN -0.60 -0.58 1 71 VAL -2.37 -2.27 1 73 MET 2.95 2.85 1 74 ASN 2.52 0.84 1 75 SER 0.30 1.31 1 76 LEU -5.38 -1.52 1 77 ARG -3.72 -1.51 1 78 PHE -2.51 -1.35 1 79 LEU -5.35 -1.37 1 80 PHE -3.51 -1.41 1 81 GLU 3.17 0.17 1 83 GLN -3.18 -1.92 1 84 ARG 1.69 1.30 1 85 ILE -0.03 0.24 1 86 ALA -1.03 -1.72 1 87 ASP 3.98 2.91 1 88 ASN 0.53 -1.03 1 90 THR -2.44 -2.21 1 92 LYS 3.07 2.81 1 93 GLU 1.80 2.19 1 94 LEU -0.54 -0.49 1 96 MET 0.43 1.62 1 97 GLU -6.76 -2.72 1 98 GLU 1.86 1.95 1 99 GLU 5.46 2.25 1 100 ASP 0.79 1.62 1 101 VAL -3.06 -0.89 1 102 ILE -3.90 -1.72 1 103 GLU -4.90 -1.44 1 104 VAL -3.92 -2.79 1 105 TYR -5.72 -1.88 1 106 GLN 0.49 0.43 1 107 GLU -1.11 -0.49 1 108 GLN -0.22 -0.11 1 109 THR 0.14 0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 4.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 -1.13 _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 89 HIS -2.94 4.55 0 65 TYR 5.89 -0.18 0 15 MET 0.71 -0.35 1 16 SER 0.10 0.14 1 17 ASP 0.78 -0.16 1 18 GLN 0.22 0.01 1 19 GLU -0.48 0.36 1 20 ALA -0.20 0.02 1 21 LYS -0.13 -0.01 1 23 SER -0.05 0.05 1 24 THR 0.39 -0.22 1 25 GLU 0.21 -0.03 1 26 ASP -0.04 0.06 1 27 LEU 0.55 -0.27 1 29 ASP 0.14 0.05 1 30 LYS 4.01 -3.63 1 31 LYS 0.40 -0.42 1 32 GLU 0.13 0.36 1 34 GLU -0.78 0.91 1 35 TYR -3.29 2.82 1 36 ILE -4.99 3.58 1 37 LYS -1.21 0.64 1 38 LEU -6.52 4.26 1 39 LYS -2.90 1.82 1 40 VAL -0.38 -0.63 1 41 ILE -2.24 1.05 1 43 GLN 2.78 -0.67 1 44 ASP 0.30 -1.23 1 45 SER 3.76 -1.53 1 46 SER 0.08 0.21 1 47 GLU -4.09 2.70 1 48 ILE -2.94 2.11 1 49 HIS -3.64 3.41 1 50 PHE -5.53 4.83 1 51 LYS -1.12 0.37 1 52 VAL -5.79 2.53 1 53 LYS 3.13 -2.52 1 54 MET 3.92 -2.00 1 55 THR -0.69 -0.96 1 56 THR 1.51 -0.16 1 57 HIS 1.21 1.16 1 58 LEU 4.85 -1.16 1 59 LYS 4.17 0.29 1 60 LYS 3.88 -1.46 1 61 LEU 3.92 -0.51 1 62 LYS 4.20 -0.69 1 63 GLU 2.81 0.22 1 64 SER 4.19 -0.54 1 67 GLN 4.46 -1.19 1 68 ARG 3.78 -1.23 1 69 GLN -0.60 0.02 1 71 VAL -2.37 0.10 1 73 MET 2.95 -0.10 1 74 ASN 2.52 -1.68 1 75 SER 0.30 1.01 1 76 LEU -5.38 3.86 1 77 ARG -3.72 2.21 1 78 PHE -2.51 1.16 1 79 LEU -5.35 3.98 1 80 PHE -3.51 2.10 1 81 GLU 3.17 -3.00 1 83 GLN -3.18 1.26 1 84 ARG 1.69 -0.39 1 85 ILE -0.03 0.27 1 86 ALA -1.03 -0.69 1 87 ASP 3.98 -1.07 1 88 ASN 0.53 -1.56 1 90 THR -2.44 0.23 1 92 LYS 3.07 -0.26 1 93 GLU 1.80 0.39 1 94 LEU -0.54 0.05 1 96 MET 0.43 1.19 1 97 GLU -6.76 4.04 1 98 GLU 1.86 0.09 1 99 GLU 5.46 -3.21 1 100 ASP 0.79 0.83 1 101 VAL -3.06 2.17 1 102 ILE -3.90 2.18 1 103 GLU -4.90 3.46 1 104 VAL -3.92 1.13 1 105 TYR -5.72 3.84 1 106 GLN 0.49 -0.06 1 107 GLU -1.11 0.62 1 108 GLN -0.22 0.11 1 109 THR 0.14 0.03 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 0.80 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 VAL -0.38 0.92 0 62 LYS 4.20 -1.24 0 97 GLU -6.76 0.11 0 15 MET 0.71 0.06 1 16 SER 0.10 -0.01 1 17 ASP 0.78 -0.07 1 18 GLN 0.22 -0.08 1 19 GLU -0.48 -0.15 1 20 ALA -0.20 -0.06 1 21 LYS -0.13 -0.04 1 23 SER -0.05 0.01 1 24 THR 0.39 -0.02 1 25 GLU 0.21 -0.11 1 26 ASP -0.04 -0.08 1 27 LEU 0.55 -0.03 1 29 ASP 0.14 -0.10 1 30 LYS 4.01 -0.05 1 31 LYS 0.40 -0.05 1 32 GLU 0.13 -0.10 1 34 GLU -0.78 -0.10 1 35 TYR -3.29 0.53 1 36 ILE -4.99 0.62 1 37 LYS -1.21 0.97 1 38 LEU -6.52 0.63 1 39 LYS -2.90 0.39 1 41 ILE -2.24 0.84 1 43 GLN 2.78 -0.23 1 44 ASP 0.30 -0.10 1 45 SER 3.76 -0.43 1 46 SER 0.08 -0.09 1 47 GLU -4.09 0.78 1 48 ILE -2.94 0.19 1 49 HIS -3.64 0.87 1 50 PHE -5.53 0.33 1 51 LYS -1.12 -0.03 1 52 VAL -5.79 0.84 1 53 LYS 3.13 -0.48 1 54 MET 3.92 -0.38 1 55 THR -0.69 0.00 1 56 THR 1.51 -0.16 1 57 HIS 1.21 -0.32 1 58 LEU 4.85 -0.36 1 59 LYS 4.17 -0.74 1 60 LYS 3.88 -0.23 1 61 LEU 3.92 -0.68 1 63 GLU 2.81 -0.38 1 64 SER 4.19 -0.21 1 65 TYR 5.89 -0.52 1 67 GLN 4.46 -0.23 1 68 ARG 3.78 -0.32 1 69 GLN -0.60 -0.09 1 71 VAL -2.37 0.50 1 73 MET 2.95 0.22 1 74 ASN 2.52 -0.07 1 75 SER 0.30 0.03 1 76 LEU -5.38 0.77 1 77 ARG -3.72 0.33 1 78 PHE -2.51 0.34 1 79 LEU -5.35 0.95 1 80 PHE -3.51 0.58 1 81 GLU 3.17 -0.81 1 83 GLN -3.18 0.25 1 84 ARG 1.69 0.05 1 85 ILE -0.03 0.31 1 86 ALA -1.03 0.01 1 87 ASP 3.98 -0.82 1 88 ASN 0.53 -0.49 1 89 HIS -2.94 0.18 1 90 THR -2.44 0.59 1 92 LYS 3.07 -0.36 1 93 GLU 1.80 -0.39 1 94 LEU -0.54 -0.12 1 96 MET 0.43 -0.30 1 98 GLU 1.86 -0.15 1 99 GLU 5.46 -0.70 1 100 ASP 0.79 0.24 1 101 VAL -3.06 0.80 1 102 ILE -3.90 0.67 1 103 GLU -4.90 0.47 1 104 VAL -3.92 0.70 1 105 TYR -5.72 0.07 1 106 GLN 0.49 0.19 1 107 GLU -1.11 0.01 1 108 GLN -0.22 0.10 1 109 THR 0.14 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 -2.10 _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 -0.69 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 1.66 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 GLU 5.46 -1.55 0 57 HIS 1.21 4.33 0 15 MET 0.71 0.46 1 16 SER 0.10 -0.02 1 17 ASP 0.78 0.14 1 18 GLN 0.22 0.14 1 19 GLU -0.48 -0.46 1 20 ALA -0.20 -0.45 1 23 SER -0.05 -0.34 1 24 THR 0.39 1.46 1 25 GLU 0.21 -0.68 1 26 ASP -0.04 0.10 1 27 LEU 0.55 0.63 1 29 ASP 0.14 0.51 1 30 LYS 4.01 -0.13 1 31 LYS 0.40 0.24 1 32 GLU 0.13 0.36 1 34 GLU -0.78 -1.15 1 35 TYR -3.29 -0.09 1 36 ILE -4.99 -2.93 1 37 LYS -1.21 -1.05 1 38 LEU -6.52 -1.69 1 39 LYS -2.90 -2.48 1 40 VAL -0.38 -0.11 1 41 ILE -2.24 -0.42 1 43 GLN 2.78 0.00 1 44 ASP 0.30 0.16 1 45 SER 3.76 -1.05 1 46 SER 0.08 -1.05 1 47 GLU -4.09 -1.28 1 48 ILE -2.94 -1.79 1 49 HIS -3.64 0.80 1 50 PHE -5.53 -1.80 1 51 LYS -1.12 -0.45 1 52 VAL -5.79 -2.05 1 53 LYS 3.13 2.78 1 54 MET 3.92 0.25 1 55 THR -0.69 -0.19 1 56 THR 1.51 -0.65 1 58 LEU 4.85 -0.55 1 59 LYS 4.17 0.27 1 60 LYS 3.88 2.38 1 61 LEU 3.92 -0.03 1 62 LYS 4.20 2.10 1 63 GLU 2.81 2.85 1 64 SER 4.19 2.57 1 65 TYR 5.89 1.47 1 67 GLN 4.46 3.10 1 68 ARG 3.78 2.00 1 69 GLN -0.60 0.41 1 73 MET 2.95 1.16 1 74 ASN 2.52 0.47 1 75 SER 0.30 -1.14 1 76 LEU -5.38 -2.01 1 77 ARG -3.72 -3.52 1 78 PHE -2.51 -1.65 1 79 LEU -5.35 -1.70 1 80 PHE -3.51 -0.78 1 81 GLU 3.17 0.18 1 83 GLN -3.18 -0.80 1 84 ARG 1.69 0.70 1 85 ILE -0.03 -0.25 1 86 ALA -1.03 0.17 1 87 ASP 3.98 -0.20 1 88 ASN 0.53 0.85 1 89 HIS -2.94 1.58 1 92 LYS 3.07 2.73 1 93 GLU 1.80 1.97 1 94 LEU -0.54 -1.00 1 96 MET 0.43 -1.82 1 97 GLU -6.76 -2.30 1 98 GLU 1.86 0.93 1 100 ASP 0.79 -1.88 1 101 VAL -3.06 -0.24 1 102 ILE -3.90 -1.43 1 103 GLU -4.90 -1.34 1 104 VAL -3.92 -1.43 1 105 TYR -5.72 -1.31 1 106 GLN 0.49 0.68 1 107 GLU -1.11 -0.36 1 108 GLN -0.22 0.13 1 109 THR 0.14 0.44 1 stop_ save_