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 bmr5311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.71 _LACS_plot.Line_1_terminator_val_y_1 -1.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.00 _LACS_plot.Line_2_terminator_val_x_2 7.75 _LACS_plot.Line_2_terminator_val_y_2 6.20 _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 59 HIS 5.97 7.81 0 10 SER 4.46 3.56 1 11 VAL 5.43 4.28 1 12 ARG 5.11 4.81 1 13 HIS 3.89 3.78 1 14 GLN 4.23 3.47 1 15 LEU 5.79 3.10 1 16 ALA 4.29 3.15 1 17 GLU 2.18 2.10 1 18 SER 3.68 3.49 1 19 ALA -0.72 -1.29 1 21 LEU -1.84 -0.34 1 23 ARG 4.86 4.33 1 24 ASP 5.27 2.78 1 25 GLN 3.60 3.58 1 26 HIS 3.87 4.94 1 27 GLU 3.57 2.84 1 28 PHE 3.78 4.02 1 29 VAL 4.33 2.76 1 30 SER 2.34 2.26 1 31 SER -0.69 1.11 1 32 GLN -2.17 0.53 1 33 ALA -0.27 0.33 1 35 GLN 4.60 3.69 1 36 SER 3.42 3.17 1 37 LEU 1.92 2.10 1 38 ARG 5.37 4.37 1 39 ASN 4.11 2.96 1 40 ARG 4.05 3.78 1 41 TYR 4.65 4.39 1 42 ASN 4.47 3.38 1 43 ASN 3.82 3.12 1 44 LEU 3.72 2.56 1 45 TYR 6.24 5.99 1 46 SER 4.82 3.60 1 47 HIS 3.30 4.28 1 48 THR 7.75 6.43 1 49 GLN 4.77 3.54 1 50 ARG 4.18 3.36 1 51 THR 7.15 5.62 1 52 LEU 4.18 3.41 1 53 ASP 4.57 3.76 1 54 MET 3.01 2.38 1 55 ALA 3.64 3.29 1 56 ASP 4.74 3.46 1 57 MET 3.96 4.41 1 58 GLN 1.09 2.80 1 60 ARG 3.82 4.22 1 61 TYR 2.36 2.50 1 62 MET 1.55 3.97 1 63 THR -0.69 0.06 1 65 ALA 0.67 0.81 1 66 SER -3.71 -2.00 1 68 ILE 0.93 -0.37 1 69 ASN -1.53 -1.19 1 72 MET -1.11 -1.06 1 73 LEU 0.52 0.23 1 75 HIS 5.73 4.26 1 76 GLU 3.40 2.49 1 77 ASN 4.71 5.32 1 78 VAL 7.44 6.19 1 79 ASP 4.83 3.93 1 80 ASP 3.77 3.26 1 81 MET 3.47 5.53 1 82 ARG 6.07 4.83 1 83 SER 4.76 3.54 1 84 ALA 3.82 2.72 1 85 ILE 6.52 6.29 1 86 THR 6.20 4.92 1 87 ASP 4.43 3.84 1 88 TRP 4.33 4.16 1 89 SER 5.47 4.02 1 90 ASP 3.92 3.37 1 91 MET 1.58 2.43 1 92 ARG 4.97 4.56 1 93 GLU 3.70 3.25 1 94 ALA 3.92 2.85 1 95 LEU 3.86 3.13 1 96 GLN 4.79 3.78 1 97 HIS 4.01 3.85 1 98 ALA 2.52 2.13 1 99 MET 1.03 2.38 1 101 ILE 0.61 0.36 1 102 HIS 0.13 0.65 1 103 ALA -0.25 0.24 1 104 ASP 0.15 0.37 1 105 ILE 0.09 0.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.71 _LACS_plot.Line_1_terminator_val_y_1 2.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.00 _LACS_plot.Line_2_terminator_val_x_2 7.75 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _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 59 HIS 5.97 1.84 0 10 SER 4.46 -0.90 1 11 VAL 5.43 -1.15 1 12 ARG 5.11 -0.30 1 13 HIS 3.89 -0.11 1 14 GLN 4.23 -0.76 1 15 LEU 5.79 -2.69 1 16 ALA 4.29 -1.14 1 17 GLU 2.18 -0.08 1 18 SER 3.68 -0.19 1 19 ALA -0.72 -0.57 1 21 LEU -1.84 1.50 1 23 ARG 4.86 -0.53 1 24 ASP 5.27 -2.49 1 25 GLN 3.60 -0.02 1 26 HIS 3.87 1.07 1 27 GLU 3.57 -0.73 1 28 PHE 3.78 0.24 1 29 VAL 4.33 -1.57 1 30 SER 2.34 -0.08 1 31 SER -0.69 1.80 1 32 GLN -2.17 2.70 1 33 ALA -0.27 0.60 1 35 GLN 4.60 -0.91 1 36 SER 3.42 -0.25 1 37 LEU 1.92 0.18 1 38 ARG 5.37 -1.00 1 39 ASN 4.11 -1.15 1 40 ARG 4.05 -0.27 1 41 TYR 4.65 -0.26 1 42 ASN 4.47 -1.09 1 43 ASN 3.82 -0.70 1 44 LEU 3.72 -1.16 1 45 TYR 6.24 -0.25 1 46 SER 4.82 -1.22 1 47 HIS 3.30 0.98 1 48 THR 7.75 -1.32 1 49 GLN 4.77 -1.23 1 50 ARG 4.18 -0.82 1 51 THR 7.15 -1.53 1 52 LEU 4.18 -0.77 1 53 ASP 4.57 -0.81 1 54 MET 3.01 -0.63 1 55 ALA 3.64 -0.35 1 56 ASP 4.74 -1.28 1 57 MET 3.96 0.45 1 58 GLN 1.09 1.71 1 60 ARG 3.82 0.40 1 61 TYR 2.36 0.14 1 62 MET 1.55 2.42 1 63 THR -0.69 0.75 1 65 ALA 0.67 0.14 1 66 SER -3.71 1.71 1 68 ILE 0.93 -1.30 1 69 ASN -1.53 0.34 1 72 MET -1.11 0.05 1 73 LEU 0.52 -0.29 1 75 HIS 5.73 -1.47 1 76 GLU 3.40 -0.91 1 77 ASN 4.71 0.61 1 78 VAL 7.44 -1.25 1 79 ASP 4.83 -0.90 1 80 ASP 3.77 -0.51 1 81 MET 3.47 2.06 1 82 ARG 6.07 -1.24 1 83 SER 4.76 -1.22 1 84 ALA 3.82 -1.10 1 85 ILE 6.52 -0.23 1 86 THR 6.20 -1.28 1 87 ASP 4.43 -0.59 1 88 TRP 4.33 -0.17 1 89 SER 5.47 -1.45 1 90 ASP 3.92 -0.55 1 91 MET 1.58 0.85 1 92 ARG 4.97 -0.41 1 93 GLU 3.70 -0.45 1 94 ALA 3.92 -1.07 1 95 LEU 3.86 -0.73 1 96 GLN 4.79 -1.01 1 97 HIS 4.01 -0.16 1 98 ALA 2.52 -0.39 1 99 MET 1.03 1.35 1 101 ILE 0.61 -0.25 1 102 HIS 0.13 0.52 1 103 ALA -0.25 0.49 1 104 ASP 0.15 0.22 1 105 ILE 0.09 0.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.71 _LACS_plot.Line_1_terminator_val_y_1 0.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 7.75 _LACS_plot.Line_2_terminator_val_y_2 -0.49 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 ALA -0.72 -2.16 0 10 SER 4.46 -0.20 1 11 VAL 5.43 -0.27 1 12 ARG 5.11 -0.10 1 13 HIS 3.89 -0.20 1 14 GLN 4.23 -0.23 1 15 LEU 5.79 -0.08 1 16 ALA 4.29 -0.54 1 17 GLU 2.18 -0.36 1 18 SER 3.68 -0.25 1 21 LEU -1.84 0.05 1 23 ARG 4.86 -0.27 1 24 ASP 5.27 -0.28 1 25 GLN 3.60 -0.08 1 26 HIS 3.87 -0.69 1 27 GLU 3.57 -0.39 1 28 PHE 3.78 -0.30 1 29 VAL 4.33 -0.59 1 30 SER 2.34 -0.27 1 31 SER -0.69 0.23 1 32 GLN -2.17 0.10 1 33 ALA -0.27 -0.82 1 35 GLN 4.60 -0.60 1 36 SER 3.42 -0.28 1 37 LEU 1.92 -0.04 1 38 ARG 5.37 -0.43 1 39 ASN 4.11 -0.20 1 40 ARG 4.05 -0.26 1 41 TYR 4.65 -0.47 1 42 ASN 4.47 -0.43 1 43 ASN 3.82 -0.21 1 44 LEU 3.72 -0.04 1 45 TYR 6.24 -0.36 1 46 SER 4.82 -0.13 1 47 HIS 3.30 -0.32 1 48 THR 7.75 -0.75 1 49 GLN 4.77 -0.50 1 50 ARG 4.18 -0.16 1 51 THR 7.15 -0.52 1 52 LEU 4.18 -0.34 1 53 ASP 4.57 -0.21 1 54 MET 3.01 -0.07 1 55 ALA 3.64 -0.28 1 56 ASP 4.74 -0.18 1 57 MET 3.96 -0.46 1 58 GLN 1.09 -0.09 1 59 HIS 5.97 -0.73 1 60 ARG 3.82 -0.43 1 61 TYR 2.36 0.28 1 62 MET 1.55 -0.51 1 63 THR -0.69 0.02 1 65 ALA 0.67 0.01 1 66 SER -3.71 0.12 1 68 ILE 0.93 -0.22 1 69 ASN -1.53 -1.70 1 72 MET -1.11 0.30 1 73 LEU 0.52 0.25 1 75 HIS 5.73 -0.46 1 76 GLU 3.40 -0.25 1 77 ASN 4.71 -0.29 1 78 VAL 7.44 -0.62 1 79 ASP 4.83 -0.17 1 80 ASP 3.77 -0.13 1 81 MET 3.47 -0.43 1 82 ARG 6.07 -0.27 1 83 SER 4.76 -0.12 1 84 ALA 3.82 0.12 1 85 ILE 6.52 -0.38 1 86 THR 6.20 -0.24 1 87 ASP 4.43 -0.20 1 88 TRP 4.33 -0.37 1 89 SER 5.47 -0.05 1 90 ASP 3.92 -0.14 1 91 MET 1.58 -0.13 1 92 ARG 4.97 0.00 1 93 GLU 3.70 -0.23 1 94 ALA 3.92 -0.05 1 95 LEU 3.86 -0.23 1 96 GLN 4.79 -0.40 1 97 HIS 4.01 -0.29 1 98 ALA 2.52 -0.13 1 99 MET 1.03 -1.02 1 101 ILE 0.61 -0.06 1 102 HIS 0.13 -0.05 1 103 ALA -0.25 0.01 1 104 ASP 0.15 -0.02 1 105 ILE 0.09 0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.71 _LACS_plot.Line_1_terminator_val_y_1 -1.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.09 _LACS_plot.Line_2_terminator_val_x_2 7.75 _LACS_plot.Line_2_terminator_val_y_2 3.50 _LACS_plot.Y_axis_chem_shift_offset -0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 LEU -1.84 4.70 0 10 SER 4.46 3.30 1 11 VAL 5.43 0.40 1 12 ARG 5.11 3.00 1 13 HIS 3.89 3.30 1 14 GLN 4.23 3.50 1 15 LEU 5.79 -0.60 1 16 ALA 4.29 2.90 1 17 GLU 2.18 2.50 1 18 SER 3.68 -0.80 1 19 ALA -0.72 -1.70 1 23 ARG 4.86 1.60 1 24 ASP 5.27 3.40 1 25 GLN 3.60 1.70 1 26 HIS 3.87 4.20 1 27 GLU 3.57 2.40 1 28 PHE 3.78 2.80 1 29 VAL 4.33 -0.90 1 30 SER 2.34 0.30 1 31 SER -0.69 -0.20 1 32 GLN -2.17 -0.20 1 33 ALA -0.27 1.50 1 35 GLN 4.60 1.40 1 36 SER 3.42 2.90 1 37 LEU 1.92 0.60 1 38 ARG 5.37 1.90 1 39 ASN 4.11 2.40 1 40 ARG 4.05 2.70 1 41 TYR 4.65 0.20 1 42 ASN 4.47 3.70 1 43 ASN 3.82 2.10 1 44 LEU 3.72 3.10 1 45 TYR 6.24 2.20 1 46 SER 4.82 3.00 1 47 HIS 3.30 4.30 1 48 THR 7.75 0.10 1 49 GLN 4.77 1.90 1 50 ARG 4.18 2.40 1 51 THR 7.15 2.70 1 52 LEU 4.18 0.50 1 53 ASP 4.57 3.90 1 54 MET 3.01 2.10 1 55 ALA 3.64 2.00 1 56 ASP 4.74 3.70 1 58 GLN 1.09 1.00 1 59 HIS 5.97 4.50 1 60 ARG 3.82 1.50 1 61 TYR 2.36 4.10 1 62 MET 1.55 2.00 1 63 THR -0.69 1.00 1 65 ALA 0.67 -0.40 1 66 SER -3.71 -0.40 1 68 ILE 0.93 -2.30 1 69 ASN -1.53 3.50 1 72 MET -1.11 -1.80 1 73 LEU 0.52 1.70 1 75 HIS 5.73 2.70 1 76 GLU 3.40 2.20 1 77 ASN 4.71 2.20 1 78 VAL 7.44 0.80 1 79 ASP 4.83 3.10 1 80 ASP 3.77 3.80 1 81 MET 3.47 1.70 1 82 ARG 6.07 3.50 1 83 SER 4.76 1.60 1 84 ALA 3.82 1.40 1 85 ILE 6.52 2.90 1 86 THR 6.20 1.80 1 87 ASP 4.43 0.80 1 88 TRP 4.33 2.70 1 89 SER 5.47 3.30 1 90 ASP 3.92 2.60 1 91 MET 1.58 1.60 1 92 ARG 4.97 3.00 1 93 GLU 3.70 2.31 1 94 ALA 3.92 4.31 1 95 LEU 3.86 0.61 1 96 GLN 4.79 3.31 1 97 HIS 4.01 3.70 1 98 ALA 2.52 1.41 1 99 MET 1.03 0.71 1 101 ILE 0.61 -0.19 1 102 HIS 0.13 0.21 1 103 ALA -0.25 -0.59 1 104 ASP 0.15 -0.19 1 105 ILE 0.09 -0.19 1 stop_ save_