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 bmr18432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.12 _LACS_plot.Line_1_terminator_val_y_1 -0.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.25 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 5.79 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 ASP -0.49 -2.69 0 27 ILE -0.26 -2.56 0 10 ALA -0.13 -0.15 1 11 VAL -2.12 0.11 1 12 GLU 0.55 -0.19 1 13 PHE 4.44 3.64 1 14 ASN 4.70 3.59 1 15 ASP 2.98 2.75 1 16 VAL 6.17 5.28 1 17 LYS 6.00 4.36 1 18 THR 6.01 5.02 1 19 LEU 2.33 3.32 1 20 LEU 2.84 3.37 1 21 ARG 5.41 4.00 1 22 GLU 3.47 3.53 1 23 TRP 2.32 1.55 1 24 ILE 1.78 1.52 1 25 THR 1.34 1.87 1 26 THR -0.13 1.24 1 28 SER 0.86 1.09 1 29 ASP -1.79 -1.34 1 31 MET -1.36 -0.03 1 32 GLU 4.17 3.91 1 33 GLU 3.89 3.74 1 34 ASP 2.72 3.99 1 35 ILE 6.31 5.70 1 36 LEU 4.31 3.00 1 37 GLN 6.00 4.77 1 38 VAL 6.67 5.11 1 39 VAL 7.29 6.08 1 40 LYS 3.51 2.33 1 41 TYR 3.69 3.16 1 43 THR 7.02 5.01 1 44 ASP 5.61 3.59 1 45 LEU 4.32 3.46 1 46 ILE 6.40 5.31 1 47 GLU 3.81 3.17 1 48 GLU -0.55 -0.87 1 49 LYS 4.52 1.31 1 51 LEU 3.71 1.53 1 52 GLU 3.51 2.97 1 53 LYS 4.07 3.33 1 54 LEU 3.78 2.93 1 55 ASP 2.62 3.74 1 56 LEU 3.14 2.96 1 57 VAL 5.55 4.71 1 58 ILE 5.96 2.79 1 59 LYS 4.70 4.37 1 60 TYR 3.83 4.11 1 61 MET 4.30 5.39 1 62 LYS 4.15 3.89 1 63 ARG 3.81 2.55 1 64 LEU 1.18 1.99 1 65 MET 4.59 4.14 1 66 GLN 3.08 1.26 1 67 GLN 1.06 0.74 1 68 SER 0.03 -0.19 1 69 VAL 1.61 0.63 1 70 GLU -0.19 -0.59 1 71 SER 1.45 1.59 1 72 VAL 4.35 2.54 1 73 TRP 2.20 2.32 1 74 ASN 4.19 4.30 1 75 MET 3.69 3.13 1 76 ALA 4.64 3.03 1 77 PHE 6.75 5.38 1 78 ASP 4.33 3.50 1 79 PHE 3.89 3.71 1 80 ILE 5.20 5.02 1 81 LEU 4.61 3.01 1 82 ASP 3.80 3.48 1 83 ASN 2.93 4.12 1 84 VAL 5.75 4.81 1 85 GLN 4.20 3.43 1 86 VAL 5.41 4.33 1 87 VAL 5.55 4.17 1 88 LEU 4.21 3.88 1 89 GLN 4.67 3.51 1 90 GLN 3.03 2.45 1 91 THR 3.35 3.31 1 92 TYR -1.07 0.58 1 94 SER -1.88 -0.87 1 95 THR -1.50 -0.68 1 96 LEU -0.51 -0.11 1 97 LYS 0.24 -0.36 1 98 VAL -0.03 -0.14 1 99 THR 0.16 1.09 1 102 HIS -0.37 1.18 1 103 LYS 0.11 0.20 1 104 LYS -1.65 -0.61 1 105 SER -0.24 -0.28 1 106 PHE 3.55 4.05 1 107 PHE 6.70 4.34 1 108 ASP 4.64 3.22 1 109 LYS 4.74 3.36 1 110 LYS 3.20 0.76 1 111 ARG 3.55 3.43 1 112 SER 2.49 2.27 1 113 GLU -0.15 0.41 1 114 ARG 0.57 0.11 1 115 LYS 0.23 -0.36 1 116 TRP 0.41 1.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.12 _LACS_plot.Line_1_terminator_val_y_1 1.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.75 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -1.50 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 ASP -0.49 -2.20 0 27 ILE -0.26 -2.30 0 10 ALA -0.13 -0.02 1 11 VAL -2.12 2.23 1 12 GLU 0.55 -0.74 1 13 PHE 4.44 -0.80 1 14 ASN 4.70 -1.11 1 15 ASP 2.98 -0.23 1 16 VAL 6.17 -0.89 1 17 LYS 6.00 -1.64 1 18 THR 6.01 -0.99 1 19 LEU 2.33 0.99 1 20 LEU 2.84 0.53 1 21 ARG 5.41 -1.41 1 22 GLU 3.47 0.06 1 23 TRP 2.32 -0.77 1 24 ILE 1.78 -0.26 1 25 THR 1.34 0.53 1 26 THR -0.13 1.37 1 28 SER 0.86 0.23 1 29 ASP -1.79 0.45 1 31 MET -1.36 1.33 1 32 GLU 4.17 -0.26 1 33 GLU 3.89 -0.15 1 34 ASP 2.72 1.27 1 35 ILE 6.31 -0.61 1 36 LEU 4.31 -1.31 1 37 GLN 6.00 -1.23 1 38 VAL 6.67 -1.56 1 39 VAL 7.29 -1.21 1 40 LYS 3.51 -1.18 1 41 TYR 3.69 -0.53 1 43 THR 7.02 -2.01 1 44 ASP 5.61 -2.02 1 45 LEU 4.32 -0.86 1 46 ILE 6.40 -1.09 1 47 GLU 3.81 -0.64 1 48 GLU -0.55 -0.32 1 49 LYS 4.52 -3.21 1 51 LEU 3.71 -2.18 1 52 GLU 3.51 -0.54 1 53 LYS 4.07 -0.74 1 54 LEU 3.78 -0.85 1 55 ASP 2.62 1.12 1 56 LEU 3.14 -0.18 1 57 VAL 5.55 -0.84 1 58 ILE 5.96 -3.17 1 59 LYS 4.70 -0.33 1 60 TYR 3.83 0.28 1 61 MET 4.30 1.09 1 62 LYS 4.15 -0.26 1 63 ARG 3.81 -1.26 1 64 LEU 1.18 0.81 1 65 MET 4.59 -0.45 1 66 GLN 3.08 -1.82 1 67 GLN 1.06 -0.32 1 68 SER 0.03 -0.22 1 69 VAL 1.61 -0.98 1 70 GLU -0.19 -0.40 1 71 SER 1.45 0.14 1 72 VAL 4.35 -1.81 1 73 TRP 2.20 0.12 1 74 ASN 4.19 0.11 1 75 MET 3.69 -0.56 1 76 ALA 4.64 -1.61 1 77 PHE 6.75 -1.37 1 78 ASP 4.33 -0.83 1 79 PHE 3.89 -0.18 1 80 ILE 5.20 -0.18 1 81 LEU 4.61 -1.60 1 82 ASP 3.80 -0.32 1 83 ASN 2.93 1.19 1 84 VAL 5.75 -0.94 1 85 GLN 4.20 -0.77 1 86 VAL 5.41 -1.08 1 87 VAL 5.55 -1.38 1 88 LEU 4.21 -0.33 1 89 GLN 4.67 -1.16 1 90 GLN 3.03 -0.58 1 91 THR 3.35 -0.04 1 92 TYR -1.07 1.65 1 94 SER -1.88 1.01 1 95 THR -1.50 0.82 1 96 LEU -0.51 0.40 1 97 LYS 0.24 -0.60 1 98 VAL -0.03 -0.11 1 99 THR 0.16 0.93 1 102 HIS -0.37 1.55 1 103 LYS 0.11 0.09 1 104 LYS -1.65 1.04 1 105 SER -0.24 -0.04 1 106 PHE 3.55 0.50 1 107 PHE 6.70 -2.36 1 108 ASP 4.64 -1.42 1 109 LYS 4.74 -1.38 1 110 LYS 3.20 -2.44 1 111 ARG 3.55 -0.12 1 112 SER 2.49 -0.22 1 113 GLU -0.15 0.56 1 114 ARG 0.57 -0.46 1 115 LYS 0.23 -0.59 1 116 TRP 0.41 0.61 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.12 _LACS_plot.Line_1_terminator_val_y_1 0.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _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 7.29 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _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 TRP 2.32 -1.64 0 24 ILE 1.78 -1.66 0 10 ALA -0.13 -0.32 1 11 VAL -2.12 0.17 1 12 GLU 0.55 -0.09 1 13 PHE 4.44 -0.36 1 14 ASN 4.70 -0.72 1 15 ASP 2.98 -0.18 1 16 VAL 6.17 -0.91 1 17 LYS 6.00 -0.84 1 18 THR 6.01 -0.48 1 19 LEU 2.33 0.02 1 20 LEU 2.84 0.04 1 21 ARG 5.41 -0.48 1 22 GLU 3.47 -0.45 1 25 THR 1.34 -0.25 1 26 THR -0.13 0.26 1 27 ILE -0.26 0.33 1 28 SER 0.86 0.05 1 29 ASP -1.79 -0.13 1 31 MET -1.36 -0.01 1 32 GLU 4.17 -0.48 1 33 GLU 3.89 -0.27 1 34 ASP 2.72 0.37 1 35 ILE 6.31 -0.22 1 36 LEU 4.31 -0.17 1 37 GLN 6.00 -0.22 1 38 VAL 6.67 -0.51 1 39 VAL 7.29 -0.72 1 40 LYS 3.51 -0.13 1 41 TYR 3.69 -0.01 1 43 THR 7.02 -0.43 1 44 ASP 5.61 -0.18 1 45 LEU 4.32 -0.46 1 46 ILE 6.40 -0.76 1 47 GLU 3.81 -0.33 1 48 GLU -0.55 -0.06 1 49 LYS 4.52 -0.66 1 50 ASP -0.49 0.42 1 51 LEU 3.71 -0.44 1 52 GLU 3.51 -0.27 1 53 LYS 4.07 -0.58 1 54 LEU 3.78 -0.43 1 55 ASP 2.62 -0.37 1 56 LEU 3.14 -0.37 1 57 VAL 5.55 -0.11 1 58 ILE 5.96 -0.16 1 59 LYS 4.70 -0.42 1 60 TYR 3.83 -0.22 1 61 MET 4.30 -0.75 1 62 LYS 4.15 -1.68 1 63 ARG 3.81 -0.47 1 64 LEU 1.18 -0.49 1 65 MET 4.59 -0.73 1 66 GLN 3.08 0.04 1 67 GLN 1.06 -0.10 1 68 SER 0.03 -0.06 1 69 VAL 1.61 0.07 1 70 GLU -0.19 0.12 1 72 VAL 4.35 -0.08 1 73 TRP 2.20 -0.12 1 74 ASN 4.19 -0.34 1 75 MET 3.69 -0.11 1 76 ALA 4.64 -0.05 1 77 PHE 6.75 -0.42 1 78 ASP 4.33 -0.40 1 79 PHE 3.89 -0.33 1 80 ILE 5.20 -0.75 1 81 LEU 4.61 -0.61 1 82 ASP 3.80 -0.38 1 83 ASN 2.93 -0.59 1 84 VAL 5.75 -0.71 1 85 GLN 4.20 0.11 1 86 VAL 5.41 -0.39 1 87 VAL 5.55 -0.36 1 88 LEU 4.21 -0.30 1 89 GLN 4.67 -0.35 1 90 GLN 3.03 -0.26 1 91 THR 3.35 -0.33 1 92 TYR -1.07 0.19 1 94 SER -1.88 0.19 1 95 THR -1.50 0.08 1 96 LEU -0.51 -0.02 1 97 LYS 0.24 0.11 1 98 VAL -0.03 0.15 1 99 THR 0.16 -0.19 1 102 HIS -0.37 -0.05 1 103 LYS 0.11 0.02 1 104 LYS -1.65 0.10 1 105 SER -0.24 0.38 1 106 PHE 3.55 -0.51 1 107 PHE 6.70 -0.73 1 108 ASP 4.64 -0.24 1 109 LYS 4.74 -0.37 1 110 LYS 3.20 -0.46 1 111 ARG 3.55 -0.30 1 112 SER 2.49 -0.18 1 113 GLU -0.15 -0.21 1 114 ARG 0.57 -0.31 1 115 LYS 0.23 -0.06 1 116 TRP 0.41 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18432_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.12 _LACS_plot.Line_1_terminator_val_y_1 -0.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.45 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 2.74 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 THR 0.16 4.27 0 10 ALA -0.13 -2.38 1 11 VAL -2.12 1.25 1 12 GLU 0.55 2.03 1 13 PHE 4.44 0.89 1 14 ASN 4.70 2.39 1 15 ASP 2.98 1.59 1 16 VAL 6.17 1.44 1 17 LYS 6.00 1.80 1 18 THR 6.01 2.01 1 19 LEU 2.33 1.30 1 20 LEU 2.84 0.59 1 21 ARG 5.41 3.23 1 22 GLU 3.47 1.55 1 23 TRP 2.32 -1.01 1 24 ILE 1.78 0.68 1 25 THR 1.34 2.04 1 26 THR -0.13 -0.48 1 27 ILE -0.26 -1.01 1 28 SER 0.86 -1.14 1 31 MET -1.36 1.91 1 32 GLU 4.17 1.48 1 33 GLU 3.89 2.92 1 34 ASP 2.72 1.35 1 35 ILE 6.31 2.63 1 36 LEU 4.31 2.67 1 37 GLN 6.00 3.29 1 38 VAL 6.67 1.92 1 39 VAL 7.29 1.24 1 40 LYS 3.51 0.47 1 41 TYR 3.69 1.05 1 43 THR 7.02 2.39 1 44 ASP 5.61 3.25 1 45 LEU 4.32 1.91 1 46 ILE 6.40 3.54 1 47 GLU 3.81 1.49 1 48 GLU -0.55 -1.35 1 49 LYS 4.52 -0.80 1 50 ASP -0.49 0.04 1 51 LEU 3.71 2.19 1 52 GLU 3.51 2.02 1 53 LYS 4.07 1.35 1 54 LEU 3.78 -0.39 1 55 ASP 2.62 1.66 1 56 LEU 3.14 3.21 1 57 VAL 5.55 1.35 1 58 ILE 5.96 1.91 1 59 LYS 4.70 2.71 1 60 TYR 3.83 1.45 1 61 MET 4.30 0.82 1 62 LYS 4.15 1.12 1 63 ARG 3.81 2.23 1 64 LEU 1.18 1.55 1 65 MET 4.59 0.83 1 66 GLN 3.08 0.70 1 67 GLN 1.06 0.15 1 68 SER 0.03 0.73 1 69 VAL 1.61 0.08 1 70 GLU -0.19 0.25 1 71 SER 1.45 2.25 1 72 VAL 4.35 1.37 1 73 TRP 2.20 1.85 1 74 ASN 4.19 2.56 1 75 MET 3.69 2.77 1 76 ALA 4.64 1.20 1 77 PHE 6.75 0.51 1 78 ASP 4.33 1.83 1 79 PHE 3.89 3.00 1 80 ILE 5.20 0.81 1 81 LEU 4.61 1.05 1 82 ASP 3.80 2.33 1 83 ASN 2.93 2.25 1 84 VAL 5.75 0.78 1 85 GLN 4.20 3.33 1 86 VAL 5.41 2.10 1 87 VAL 5.55 3.79 1 88 LEU 4.21 1.70 1 89 GLN 4.67 3.00 1 90 GLN 3.03 1.21 1 91 THR 3.35 0.34 1 92 TYR -1.07 0.92 1 94 SER -1.88 -1.65 1 95 THR -1.50 0.02 1 96 LEU -0.51 -0.63 1 97 LYS 0.24 -0.58 1 98 VAL -0.03 -1.14 1 102 HIS -0.37 1.07 1 103 LYS 0.11 -0.95 1 104 LYS -1.65 -0.88 1 105 SER -0.24 1.09 1 106 PHE 3.55 1.90 1 107 PHE 6.70 2.44 1 108 ASP 4.64 3.01 1 109 LYS 4.74 2.68 1 110 LYS 3.20 2.76 1 111 ARG 3.55 2.30 1 112 SER 2.49 0.60 1 113 GLU -0.15 -0.04 1 114 ARG 0.57 -1.05 1 115 LYS 0.23 -1.33 1 stop_ save_