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 bmr18856_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.96 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.71 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 6.13 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 ARG -3.34 5.43 0 10 LYS -1.51 4.42 1 11 GLU 0.23 2.19 1 12 LEU 3.04 2.47 1 13 GLN 4.48 3.17 1 14 GLN 4.36 3.05 1 15 TYR 3.86 3.15 1 16 ILE 2.13 0.78 1 17 SER -4.53 -0.31 1 18 ASN 6.85 6.34 1 19 LEU 0.96 0.89 1 20 SER -0.19 0.96 1 21 TYR 5.31 3.97 1 22 ARG 7.84 8.15 1 23 VAL -0.70 -2.37 1 24 LYS -0.94 -0.94 1 25 LYS 8.65 4.71 1 26 VAL -3.72 -4.78 1 27 SER 6.20 6.67 1 28 GLU 1.18 0.99 1 29 GLU 1.45 0.89 1 30 ALA 0.87 0.16 1 31 LEU -0.20 0.08 1 32 MET 1.77 0.71 1 33 GLN -2.12 -0.94 1 34 MET 0.97 0.11 1 36 ILE -0.71 -0.49 1 38 ILE -5.56 -1.59 1 39 LEU -5.76 -1.32 1 40 LEU -1.73 -0.68 1 41 LEU -4.87 -1.99 1 42 ASP -2.22 -2.16 1 43 GLU 3.14 2.26 1 44 GLU -1.22 -1.47 1 45 ASP 4.45 2.06 1 46 LYS -1.51 -1.83 1 47 ILE 3.35 1.70 1 48 GLU -1.91 0.28 1 49 TRP 0.11 3.56 1 50 SER -5.46 -1.72 1 51 ASN 0.36 -0.77 1 52 ARG 4.87 3.61 1 53 PHE 3.82 3.25 1 54 LEU 2.06 1.50 1 55 ALA 5.72 3.14 1 56 ALA 4.21 2.25 1 58 PHE 1.11 0.60 1 59 LYS 5.06 0.99 1 60 GLU -5.42 -2.87 1 61 GLN 2.02 1.64 1 62 THR -1.87 -2.26 1 63 LEU -2.18 -1.83 1 64 ILE 4.88 2.92 1 66 ARG -0.23 -1.78 1 67 SER -1.47 -0.95 1 68 LEU 4.06 3.18 1 69 ALA 3.35 2.03 1 70 GLU 1.28 1.04 1 71 LEU 1.23 0.99 1 72 SER 0.35 -1.12 1 73 GLU 3.29 2.42 1 75 LEU 4.61 2.66 1 76 ALA 3.85 2.53 1 77 ALA 3.06 1.99 1 78 PHE 6.49 5.11 1 79 VAL 2.87 2.55 1 80 LYS -0.88 -0.27 1 81 LYS -0.26 -0.27 1 83 LYS -3.04 -2.10 1 84 THR 0.19 0.33 1 85 ASP -6.36 -2.54 1 86 GLU -4.47 -1.93 1 87 GLU -0.41 -1.43 1 88 ILE -5.36 -2.68 1 89 ILE -2.48 -1.79 1 90 GLU -3.28 -1.66 1 91 LEU 2.26 0.83 1 92 ASN -3.27 -2.04 1 94 LYS -0.15 -0.22 1 95 GLN -4.89 -1.99 1 96 LEU -1.81 -1.14 1 97 LYS -3.47 -2.96 1 98 VAL -3.67 -1.59 1 99 ILE -5.53 -3.77 1 100 VAL -1.68 -0.41 1 101 HIS 0.26 -0.37 1 103 HIS 3.86 2.31 1 104 GLU 2.43 1.05 1 105 ARG -3.15 1.60 1 106 LEU -5.65 -1.23 1 107 LEU -9.96 -3.26 1 108 TYR -4.79 -2.10 1 109 PHE -3.84 -1.15 1 110 PHE 0.56 0.67 1 111 ASP 0.61 -0.14 1 112 VAL 1.81 2.22 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18856_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.96 _LACS_plot.Line_1_terminator_val_y_1 6.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -2.51 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 ARG -3.34 8.77 0 10 LYS -1.51 5.93 1 11 GLU 0.23 1.96 1 12 LEU 3.04 -0.57 1 13 GLN 4.48 -1.31 1 14 GLN 4.36 -1.31 1 15 TYR 3.86 -0.71 1 16 ILE 2.13 -1.35 1 17 SER -4.53 4.22 1 18 ASN 6.85 -0.51 1 19 LEU 0.96 -0.07 1 20 SER -0.19 1.15 1 21 TYR 5.31 -1.34 1 22 ARG 7.84 0.31 1 23 VAL -0.70 -1.67 1 24 LYS -0.94 0.00 1 25 LYS 8.65 -3.94 1 26 VAL -3.72 -1.06 1 27 SER 6.20 0.47 1 28 GLU 1.18 -0.19 1 29 GLU 1.45 -0.56 1 30 ALA 0.87 -0.71 1 31 LEU -0.20 0.28 1 32 MET 1.77 -1.06 1 33 GLN -2.12 1.18 1 34 MET 0.97 -0.86 1 36 ILE -0.71 0.22 1 38 ILE -5.56 3.97 1 39 LEU -5.76 4.44 1 40 LEU -1.73 1.05 1 41 LEU -4.87 2.88 1 42 ASP -2.22 0.06 1 43 GLU 3.14 -0.88 1 44 GLU -1.22 -0.25 1 45 ASP 4.45 -2.39 1 46 LYS -1.51 -0.32 1 47 ILE 3.35 -1.65 1 48 GLU -1.91 2.19 1 49 TRP 0.11 3.45 1 50 SER -5.46 3.74 1 51 ASN 0.36 -1.13 1 52 ARG 4.87 -1.26 1 53 PHE 3.82 -0.57 1 54 LEU 2.06 -0.56 1 55 ALA 5.72 -2.58 1 56 ALA 4.21 -1.96 1 58 PHE 1.11 -0.51 1 59 LYS 5.06 -4.07 1 60 GLU -5.42 2.55 1 61 GLN 2.02 -0.38 1 62 THR -1.87 -0.39 1 63 LEU -2.18 0.35 1 64 ILE 4.88 -1.96 1 66 ARG -0.23 -1.55 1 67 SER -1.47 0.52 1 68 LEU 4.06 -0.88 1 69 ALA 3.35 -1.32 1 70 GLU 1.28 -0.24 1 71 LEU 1.23 -0.24 1 72 SER 0.35 -1.47 1 73 GLU 3.29 -0.87 1 75 LEU 4.61 -1.95 1 76 ALA 3.85 -1.32 1 77 ALA 3.06 -1.07 1 78 PHE 6.49 -1.38 1 79 VAL 2.87 -0.32 1 80 LYS -0.88 0.61 1 81 LYS -0.26 -0.01 1 83 LYS -3.04 0.94 1 84 THR 0.19 0.14 1 85 ASP -6.36 3.82 1 86 GLU -4.47 2.54 1 87 GLU -0.41 -1.02 1 88 ILE -5.36 2.68 1 89 ILE -2.48 0.69 1 90 GLU -3.28 1.62 1 91 LEU 2.26 -1.43 1 92 ASN -3.27 1.23 1 94 LYS -0.15 -0.07 1 95 GLN -4.89 2.90 1 96 LEU -1.81 0.67 1 97 LYS -3.47 0.51 1 98 VAL -3.67 2.08 1 99 ILE -5.53 1.76 1 100 VAL -1.68 1.27 1 101 HIS 0.26 -0.63 1 103 HIS 3.86 -1.55 1 104 GLU 2.43 -1.38 1 105 ARG -3.15 4.75 1 106 LEU -5.65 4.42 1 107 LEU -9.96 6.70 1 108 TYR -4.79 2.69 1 109 PHE -3.84 2.69 1 110 PHE 0.56 0.11 1 111 ASP 0.61 -0.75 1 112 VAL 1.81 0.41 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18856_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.96 _LACS_plot.Line_1_terminator_val_y_1 0.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _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 25 LYS 8.65 0.53 0 10 LYS -1.51 0.06 1 11 GLU 0.23 -0.45 1 12 LEU 3.04 -0.60 1 13 GLN 4.48 -0.36 1 14 GLN 4.36 -0.41 1 15 TYR 3.86 -0.69 1 16 ILE 2.13 -0.44 1 17 SER -4.53 -0.11 1 18 ASN 6.85 -0.69 1 19 LEU 0.96 -0.47 1 20 SER -0.19 -0.65 1 21 TYR 5.31 -0.55 1 22 ARG 7.84 -0.50 1 23 VAL -0.70 -0.09 1 24 LYS -0.94 -0.01 1 26 VAL -3.72 0.00 1 27 SER 6.20 -0.62 1 28 GLU 1.18 -0.29 1 29 GLU 1.45 -0.26 1 30 ALA 0.87 -0.14 1 31 LEU -0.20 -0.13 1 32 MET 1.77 -0.17 1 33 GLN -2.12 -0.04 1 34 MET 0.97 -0.94 1 36 ILE -0.71 0.14 1 38 ILE -5.56 1.12 1 39 LEU -5.76 0.70 1 40 LEU -1.73 0.68 1 41 LEU -4.87 0.92 1 42 ASP -2.22 0.10 1 43 GLU 3.14 -0.47 1 44 GLU -1.22 -0.02 1 45 ASP 4.45 -0.56 1 46 LYS -1.51 0.04 1 47 ILE 3.35 -0.07 1 48 GLU -1.91 -0.41 1 49 TRP 0.11 -0.60 1 50 SER -5.46 -0.19 1 51 ASN 0.36 -0.65 1 52 ARG 4.87 -0.51 1 53 PHE 3.82 -0.45 1 54 LEU 2.06 -0.69 1 55 ALA 5.72 -0.78 1 56 ALA 4.21 -0.34 1 58 PHE 1.11 -0.48 1 59 LYS 5.06 -0.60 1 60 GLU -5.42 0.17 1 61 GLN 2.02 -0.36 1 62 THR -1.87 -0.23 1 63 LEU -2.18 -0.24 1 64 ILE 4.88 -0.05 1 66 ARG -0.23 -0.08 1 67 SER -1.47 0.10 1 68 LEU 4.06 -0.58 1 69 ALA 3.35 -0.38 1 70 GLU 1.28 -0.44 1 71 LEU 1.23 -0.31 1 72 SER 0.35 0.00 1 73 GLU 3.29 -0.24 1 75 LEU 4.61 -0.48 1 76 ALA 3.85 -0.29 1 77 ALA 3.06 -0.27 1 78 PHE 6.49 -0.26 1 79 VAL 2.87 -0.32 1 80 LYS -0.88 0.09 1 81 LYS -0.26 0.03 1 83 LYS -3.04 0.43 1 84 THR 0.19 -0.06 1 85 ASP -6.36 1.44 1 86 GLU -4.47 -0.07 1 87 GLU -0.41 0.67 1 88 ILE -5.36 0.29 1 89 ILE -2.48 0.49 1 90 GLU -3.28 0.13 1 91 LEU 2.26 -0.53 1 92 ASN -3.27 0.21 1 94 LYS -0.15 0.25 1 95 GLN -4.89 0.73 1 96 LEU -1.81 0.39 1 97 LYS -3.47 0.81 1 98 VAL -3.67 0.97 1 99 ILE -5.53 0.73 1 100 VAL -1.68 -0.19 1 101 HIS 0.26 -0.06 1 102 ARG -3.34 -0.57 1 103 HIS 3.86 -0.62 1 104 GLU 2.43 -0.12 1 105 ARG -3.15 -0.79 1 106 LEU -5.65 0.79 1 107 LEU -9.96 0.61 1 108 TYR -4.79 0.79 1 109 PHE -3.84 0.20 1 110 PHE 0.56 0.18 1 111 ASP 0.61 0.06 1 112 VAL 1.81 0.35 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18856_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.96 _LACS_plot.Line_1_terminator_val_y_1 1.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -4.06 _LACS_plot.Y_axis_chem_shift_offset 1.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 SER -5.46 6.91 0 10 LYS -1.51 -2.71 1 11 GLU 0.23 -3.53 1 12 LEU 3.04 -4.14 1 13 GLN 4.48 -3.63 1 14 GLN 4.36 -2.30 1 15 TYR 3.86 -2.89 1 16 ILE 2.13 -2.78 1 17 SER -4.53 -1.62 1 18 ASN 6.85 -0.95 1 19 LEU 0.96 -3.85 1 20 SER -0.19 -2.01 1 21 TYR 5.31 -2.87 1 22 ARG 7.84 -2.14 1 23 VAL -0.70 -2.51 1 24 LYS -0.94 -1.78 1 25 LYS 8.65 -4.72 1 26 VAL -3.72 -2.69 1 27 SER 6.20 1.67 1 28 GLU 1.18 -2.78 1 29 GLU 1.45 -2.09 1 30 ALA 0.87 -4.28 1 31 LEU -0.20 -4.09 1 32 MET 1.77 -1.09 1 33 GLN -2.12 1.01 1 34 MET 0.97 2.84 1 36 ILE -0.71 -2.19 1 38 ILE -5.56 2.30 1 39 LEU -5.76 -1.13 1 40 LEU -1.73 -2.40 1 41 LEU -4.87 -3.16 1 42 ASP -2.22 -3.07 1 43 GLU 3.14 -2.04 1 44 GLU -1.22 -0.21 1 45 ASP 4.45 0.72 1 46 LYS -1.51 -2.03 1 47 ILE 3.35 -2.02 1 48 GLU -1.91 -1.28 1 49 TRP 0.11 1.85 1 51 ASN 0.36 -0.71 1 52 ARG 4.87 -4.31 1 53 PHE 3.82 -1.49 1 54 LEU 2.06 -4.59 1 55 ALA 5.72 -5.84 1 56 ALA 4.21 -8.30 1 58 PHE 1.11 1.89 1 59 LYS 5.06 -0.34 1 60 GLU -5.42 -1.29 1 61 GLN 2.02 -0.99 1 62 THR -1.87 5.19 1 63 LEU -2.18 -2.05 1 64 ILE 4.88 -2.08 1 66 ARG -0.23 -1.04 1 67 SER -1.47 0.98 1 68 LEU 4.06 -4.20 1 69 ALA 3.35 -4.79 1 70 GLU 1.28 -2.53 1 71 LEU 1.23 -3.97 1 72 SER 0.35 3.54 1 73 GLU 3.29 -4.05 1 75 LEU 4.61 -6.23 1 76 ALA 3.85 -6.48 1 77 ALA 3.06 -3.46 1 78 PHE 6.49 -2.66 1 79 VAL 2.87 -3.59 1 80 LYS -0.88 -2.64 1 81 LYS -0.26 -1.91 1 83 LYS -3.04 2.50 1 84 THR 0.19 0.42 1 85 ASP -6.36 -0.02 1 86 GLU -4.47 1.35 1 87 GLU -0.41 -1.12 1 88 ILE -5.36 1.81 1 89 ILE -2.48 -0.71 1 90 GLU -3.28 -2.03 1 91 LEU 2.26 1.00 1 92 ASN -3.27 -0.34 1 94 LYS -0.15 0.63 1 95 GLN -4.89 -1.03 1 96 LEU -1.81 0.14 1 97 LYS -3.47 0.46 1 98 VAL -3.67 -0.54 1 99 ILE -5.53 1.71 1 100 VAL -1.68 1.60 1 101 HIS 0.26 -1.36 1 102 ARG -3.34 -0.21 1 103 HIS 3.86 -1.79 1 104 GLU 2.43 0.82 1 105 ARG -3.15 0.41 1 106 LEU -5.65 -0.60 1 107 LEU -9.96 0.74 1 108 TYR -4.79 0.84 1 109 PHE -3.84 0.72 1 110 PHE 0.56 -1.67 1 111 ASP 0.61 -0.34 1 112 VAL 1.81 -2.61 1 stop_ save_