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 bmr18113_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.85 _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 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.04 _LACS_plot.Line_2_terminator_val_x_2 7.87 _LACS_plot.Line_2_terminator_val_y_2 6.12 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 PHE -5.85 -1.22 0 10 ALA 4.02 2.72 1 11 ASP 4.71 2.78 1 12 ILE 6.16 4.93 1 13 THR 6.15 5.04 1 14 ALA 3.65 2.10 1 15 ALA 3.66 2.50 1 16 LEU 2.91 1.93 1 17 ALA 3.41 2.35 1 18 ALA 1.35 0.96 1 20 LYS 4.14 2.76 1 21 ALA -0.52 -0.73 1 22 GLU 3.59 2.62 1 24 SER -0.29 0.72 1 25 PHE 3.00 2.89 1 26 ASP -4.19 -2.43 1 27 HIS 5.54 5.04 1 28 LYS 5.29 3.07 1 29 ALA 3.16 1.88 1 30 PHE 4.72 4.30 1 31 PHE 3.53 1.60 1 32 THR 6.81 5.11 1 33 LYS 3.45 2.12 1 34 VAL 1.70 -0.09 1 36 LEU 1.10 1.88 1 37 ALA 3.40 1.69 1 38 ALA -1.39 -1.07 1 39 LYS -2.00 -2.65 1 40 SER -1.43 0.64 1 42 ALA 3.15 2.51 1 43 ASP 3.85 3.56 1 44 ILE 6.13 4.70 1 45 LYS 4.57 3.17 1 46 LYS 4.34 2.97 1 47 VAL 5.45 4.02 1 48 PHE 6.12 5.32 1 49 GLU 2.11 2.07 1 50 ILE 3.24 1.86 1 51 ILE 3.89 1.39 1 52 ASP 0.53 -3.00 1 53 GLN 3.77 3.60 1 54 ASP -0.01 -1.64 1 55 LYS 5.28 0.20 1 56 SER -0.66 0.62 1 57 ASP 5.05 3.02 1 59 VAL 0.63 -1.11 1 60 GLU 1.35 0.49 1 61 GLU 5.61 4.71 1 62 ASP 3.93 2.84 1 63 GLU 0.48 0.70 1 64 LEU 2.11 0.88 1 65 LYS 3.98 3.05 1 66 LEU -1.07 -1.15 1 67 PHE 2.35 4.96 1 68 LEU 3.19 2.18 1 69 GLN 4.30 1.13 1 70 ASN 1.21 1.90 1 71 PHE 2.44 1.50 1 72 SER 0.40 1.35 1 73 ALA 3.34 2.04 1 75 ALA -2.78 -1.13 1 76 ARG 0.20 -1.00 1 77 ALA -0.58 -0.93 1 78 LEU 0.42 -0.57 1 79 SER -2.86 -1.24 1 81 ALA 4.17 2.66 1 82 GLU -0.14 2.02 1 83 THR 7.88 7.06 1 84 LYS 4.18 3.11 1 85 VAL 5.11 4.29 1 86 PHE 0.07 -0.63 1 87 LEU 3.29 3.00 1 88 LYS 3.00 1.91 1 89 ALA 2.25 1.51 1 91 ASP 0.97 -0.72 1 92 SER 2.24 1.63 1 93 ASP 0.56 -0.87 1 95 ASP 0.50 -0.75 1 97 LYS -5.55 -2.33 1 98 ILE -2.26 -1.77 1 100 VAL -2.00 -4.40 1 101 ASP 4.50 2.75 1 102 GLU 1.36 1.72 1 103 PHE 3.07 3.42 1 105 ALA 3.14 2.06 1 106 MET 2.21 2.44 1 107 ILE 3.40 2.46 1 108 LYS -0.02 -0.57 1 109 ALA 1.98 2.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18113_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.85 _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 -2.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.04 _LACS_plot.Line_2_terminator_val_x_2 7.87 _LACS_plot.Line_2_terminator_val_y_2 -1.75 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 PHE -5.85 4.63 0 10 ALA 4.02 -1.30 1 11 ASP 4.71 -1.93 1 12 ILE 6.16 -1.23 1 13 THR 6.15 -1.11 1 14 ALA 3.65 -1.55 1 15 ALA 3.66 -1.16 1 16 LEU 2.91 -0.98 1 17 ALA 3.41 -1.06 1 18 ALA 1.35 -0.39 1 20 LYS 4.14 -1.38 1 21 ALA -0.52 -0.21 1 22 GLU 3.59 -0.97 1 24 SER -0.29 1.01 1 25 PHE 3.00 -0.11 1 26 ASP -4.19 1.76 1 27 HIS 5.54 -0.50 1 28 LYS 5.29 -2.22 1 29 ALA 3.16 -1.28 1 30 PHE 4.72 -0.42 1 31 PHE 3.53 -1.93 1 32 THR 6.81 -1.70 1 33 LYS 3.45 -1.33 1 34 VAL 1.70 -1.79 1 36 LEU 1.10 0.78 1 37 ALA 3.40 -1.71 1 38 ALA -1.39 0.32 1 39 LYS -2.00 -0.65 1 40 SER -1.43 2.07 1 42 ALA 3.15 -0.64 1 43 ASP 3.85 -0.29 1 44 ILE 6.13 -1.43 1 45 LYS 4.57 -1.40 1 46 LYS 4.34 -1.37 1 47 VAL 5.45 -1.43 1 48 PHE 6.12 -0.80 1 49 GLU 2.11 -0.04 1 50 ILE 3.24 -1.38 1 51 ILE 3.89 -2.50 1 52 ASP 0.53 -3.53 1 53 GLN 3.77 -0.17 1 54 ASP -0.01 -1.63 1 55 LYS 5.28 -5.08 1 56 SER -0.66 1.28 1 57 ASP 5.05 -2.03 1 59 VAL 0.63 -1.74 1 60 GLU 1.35 -0.86 1 61 GLU 5.61 -0.90 1 62 ASP 3.93 -1.09 1 63 GLU 0.48 0.22 1 64 LEU 2.11 -1.23 1 65 LYS 3.98 -0.93 1 66 LEU -1.07 -0.08 1 67 PHE 2.35 2.61 1 68 LEU 3.19 -1.01 1 69 GLN 4.30 -3.17 1 70 ASN 1.21 0.69 1 71 PHE 2.44 -0.94 1 72 SER 0.40 0.95 1 73 ALA 3.34 -1.30 1 75 ALA -2.78 1.65 1 76 ARG 0.20 -1.20 1 77 ALA -0.58 -0.35 1 78 LEU 0.42 -0.99 1 79 SER -2.86 1.62 1 81 ALA 4.17 -1.51 1 82 GLU -0.14 2.16 1 83 THR 7.88 -0.82 1 84 LYS 4.18 -1.07 1 85 VAL 5.11 -0.82 1 86 PHE 0.07 -0.70 1 87 LEU 3.29 -0.29 1 88 LYS 3.00 -1.09 1 89 ALA 2.25 -0.74 1 91 ASP 0.97 -1.69 1 92 SER 2.24 -0.61 1 93 ASP 0.56 -1.43 1 95 ASP 0.50 -1.25 1 97 LYS -5.55 3.22 1 98 ILE -2.26 0.49 1 100 VAL -2.00 -2.40 1 101 ASP 4.50 -1.75 1 102 GLU 1.36 0.36 1 103 PHE 3.07 0.35 1 105 ALA 3.14 -1.08 1 106 MET 2.21 0.23 1 107 ILE 3.40 -0.94 1 108 LYS -0.02 -0.55 1 109 ALA 1.98 0.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18113_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.85 _LACS_plot.Line_1_terminator_val_y_1 0.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.00 _LACS_plot.Line_2_terminator_val_x_2 7.87 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ILE -2.26 0.95 0 10 ALA 4.02 -0.17 1 11 ASP 4.71 -0.26 1 12 ILE 6.16 -0.77 1 13 THR 6.15 -0.29 1 14 ALA 3.65 -0.16 1 15 ALA 3.66 -0.22 1 16 LEU 2.91 -0.14 1 17 ALA 3.41 -0.19 1 18 ALA 1.35 -0.02 1 20 LYS 4.14 -0.26 1 21 ALA -0.52 -0.04 1 22 GLU 3.59 -0.62 1 24 SER -0.29 -0.04 1 25 PHE 3.00 -0.58 1 26 ASP -4.19 -0.29 1 27 HIS 5.54 -0.49 1 28 LYS 5.29 -0.43 1 29 ALA 3.16 -0.36 1 30 PHE 4.72 -0.64 1 31 PHE 3.53 -0.12 1 32 THR 6.81 -0.23 1 33 LYS 3.45 -0.33 1 34 VAL 1.70 -0.27 1 36 LEU 1.10 -0.34 1 37 ALA 3.40 -0.48 1 38 ALA -1.39 0.13 1 39 LYS -2.00 0.25 1 40 SER -1.43 -0.33 1 42 ALA 3.15 -0.50 1 43 ASP 3.85 -0.47 1 44 ILE 6.13 -0.69 1 45 LYS 4.57 -0.38 1 46 LYS 4.34 -0.22 1 47 VAL 5.45 -0.46 1 48 PHE 6.12 -0.50 1 49 GLU 2.11 -0.44 1 50 ILE 3.24 -0.60 1 51 ILE 3.89 -0.55 1 52 ASP 0.53 -0.15 1 53 GLN 3.77 -0.53 1 54 ASP -0.01 -0.10 1 55 LYS 5.28 -0.32 1 56 SER -0.66 -0.11 1 57 ASP 5.05 -0.59 1 58 PHE -5.85 0.47 1 59 VAL 0.63 0.67 1 60 GLU 1.35 0.09 1 61 GLU 5.61 -0.82 1 62 ASP 3.93 -0.37 1 63 GLU 0.48 -0.64 1 64 LEU 2.11 -0.51 1 65 LYS 3.98 -0.21 1 66 LEU -1.07 0.09 1 67 PHE 2.35 -0.79 1 68 LEU 3.19 -0.53 1 69 GLN 4.30 0.20 1 70 ASN 1.21 -0.61 1 71 PHE 2.44 -0.46 1 72 SER 0.40 -0.09 1 73 ALA 3.34 0.05 1 75 ALA -2.78 -0.08 1 76 ARG 0.20 -0.07 1 77 ALA -0.58 0.00 1 78 LEU 0.42 0.02 1 79 SER -2.86 0.03 1 81 ALA 4.17 0.44 1 82 GLU -0.14 -0.29 1 83 THR 7.88 -0.46 1 84 LYS 4.18 -0.39 1 85 VAL 5.11 -0.51 1 86 PHE 0.07 -0.29 1 87 LEU 3.29 -0.69 1 88 LYS 3.00 -0.37 1 89 ALA 2.25 -0.30 1 91 ASP 0.97 0.12 1 92 SER 2.24 -0.19 1 93 ASP 0.56 0.02 1 95 ASP 0.50 -0.21 1 97 LYS -5.55 0.34 1 100 VAL -2.00 -0.01 1 101 ASP 4.50 -0.30 1 102 GLU 1.36 -0.29 1 103 PHE 3.07 -0.51 1 105 ALA 3.14 -0.27 1 106 MET 2.21 -0.10 1 107 ILE 3.40 -0.88 1 108 LYS -0.02 -0.09 1 109 ALA 1.98 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18113_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.85 _LACS_plot.Line_1_terminator_val_y_1 -1.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.16 _LACS_plot.Line_2_terminator_val_x_2 6.81 _LACS_plot.Line_2_terminator_val_y_2 2.47 _LACS_plot.Y_axis_chem_shift_offset -0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 ALA 1.98 4.92 0 25 PHE 3.00 -2.77 0 97 LYS -5.55 -2.19 0 58 PHE -5.85 -1.92 0 10 ALA 4.02 3.11 1 11 ASP 4.71 1.67 1 12 ILE 6.16 0.95 1 13 THR 6.15 2.23 1 14 ALA 3.65 2.49 1 15 ALA 3.66 2.93 1 16 LEU 2.91 0.60 1 17 ALA 3.41 2.26 1 18 ALA 1.35 0.41 1 20 LYS 4.14 0.21 1 21 ALA -0.52 1.11 1 24 SER -0.29 0.55 1 26 ASP -4.19 -0.06 1 27 HIS 5.54 0.35 1 28 LYS 5.29 2.92 1 29 ALA 3.16 2.52 1 30 PHE 4.72 1.22 1 31 PHE 3.53 3.46 1 32 THR 6.81 2.10 1 33 LYS 3.45 1.06 1 34 VAL 1.70 -1.35 1 36 LEU 1.10 -1.25 1 37 ALA 3.40 -0.65 1 38 ALA -1.39 0.02 1 39 LYS -2.00 -0.83 1 40 SER -1.43 1.75 1 42 ALA 3.15 2.98 1 43 ASP 3.85 3.93 1 44 ILE 6.13 1.60 1 46 LYS 4.34 2.77 1 47 VAL 5.45 0.91 1 49 GLU 2.11 0.97 1 50 ILE 3.24 0.01 1 51 ILE 3.89 1.13 1 52 ASP 0.53 0.28 1 53 GLN 3.77 1.53 1 54 ASP -0.01 -0.34 1 55 LYS 5.28 -0.47 1 57 ASP 5.05 3.65 1 59 VAL 0.63 -0.11 1 60 GLU 1.35 0.58 1 62 ASP 3.93 2.08 1 63 GLU 0.48 3.30 1 64 LEU 2.11 1.15 1 65 LYS 3.98 2.15 1 66 LEU -1.07 -0.71 1 67 PHE 2.35 2.21 1 68 LEU 3.19 2.32 1 69 GLN 4.30 1.00 1 70 ASN 1.21 -1.12 1 71 PHE 2.44 -0.35 1 72 SER 0.40 1.03 1 73 ALA 3.34 0.69 1 75 ALA -2.78 -1.51 1 76 ARG 0.20 -0.69 1 77 ALA -0.58 0.92 1 78 LEU 0.42 -0.18 1 81 ALA 4.17 2.40 1 82 GLU -0.14 3.84 1 84 LYS 4.18 2.82 1 85 VAL 5.11 1.69 1 86 PHE 0.07 0.80 1 88 LYS 3.00 1.99 1 89 ALA 2.25 1.46 1 91 ASP 0.97 -0.08 1 92 SER 2.24 1.44 1 93 ASP 0.56 1.81 1 95 ASP 0.50 1.13 1 98 ILE -2.26 -0.11 1 100 VAL -2.00 1.13 1 101 ASP 4.50 3.02 1 102 GLU 1.36 3.22 1 103 PHE 3.07 0.61 1 105 ALA 3.14 2.32 1 106 MET 2.21 0.91 1 107 ILE 3.40 -0.44 1 108 LYS -0.02 -1.26 1 stop_ save_