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 bmr30480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 5.74 _LACS_plot.Line_2_terminator_val_y_2 3.41 _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 105 THR -6.52 -5.55 0 10 PHE -2.69 -0.96 1 11 LYS -4.29 -3.03 1 12 LEU -1.97 -0.37 1 13 ASN 0.31 -1.67 1 14 THR 1.70 0.59 1 15 LYS -1.39 -0.91 1 16 ASN 2.61 0.90 1 17 ILE 2.08 1.50 1 18 LYS -5.22 -1.18 1 19 VAL -6.47 -3.39 1 20 LEU 3.20 2.38 1 21 THR -0.64 0.27 1 23 SER -0.91 -1.22 1 25 PHE 3.68 3.22 1 26 LYS -7.12 -3.29 1 27 SER 0.39 0.74 1 28 PHE -5.21 -2.90 1 29 SER 3.77 3.60 1 31 ILE -6.14 -2.47 1 32 GLN -5.82 -1.87 1 33 LYS -4.40 -1.75 1 34 VAL -5.38 -2.43 1 35 TYR -1.45 -0.42 1 36 LYS -6.50 -3.07 1 38 PHE -3.04 -1.84 1 39 TYR -1.71 -1.64 1 40 HIS -0.22 1.25 1 41 HIS -6.24 -2.23 1 42 ILE -2.07 -0.95 1 43 ILE -2.96 -0.44 1 44 PHE -2.97 -0.63 1 45 ASP 2.55 1.86 1 46 ASP -0.11 -1.20 1 48 SER 0.52 1.31 1 49 GLU -7.25 -2.36 1 50 ILE -5.88 -2.32 1 51 LYS -1.11 -1.37 1 53 SER -0.75 -0.01 1 54 ASP 3.30 3.13 1 55 ASN -1.12 -1.25 1 56 HIS 2.99 3.47 1 57 SER -4.71 -1.63 1 58 PHE -3.29 -0.11 1 60 LYS 3.35 2.65 1 61 ASP 1.12 0.29 1 62 LYS 5.74 1.54 1 63 ILE 0.36 -0.24 1 64 LYS -0.78 0.21 1 65 ALA 3.54 3.53 1 66 SER 2.43 1.51 1 67 THR -0.33 0.14 1 68 ILE 2.02 1.51 1 69 LYS -3.21 -2.12 1 70 VAL 4.97 3.30 1 72 ASP 0.04 0.38 1 73 TYR -2.97 -0.70 1 74 LEU -3.42 -1.06 1 75 GLN 4.16 0.83 1 77 LYS -2.36 -0.80 1 78 LYS -1.56 -0.43 1 79 VAL 2.68 1.64 1 80 LEU -0.98 0.25 1 81 TYR -4.67 -0.49 1 82 ASN 1.45 -0.13 1 83 GLU -5.68 -2.61 1 84 ILE 0.92 0.21 1 85 VAL 0.98 -0.49 1 86 GLU 0.97 -1.36 1 87 GLU -5.04 -1.42 1 89 ILE -4.37 -0.98 1 90 TYR 0.49 0.60 1 91 LEU -7.00 -2.67 1 92 TYR -6.49 -1.13 1 93 ASP -4.90 -1.09 1 94 LEU -1.64 -1.43 1 95 LEU -4.41 -1.57 1 96 ASN 3.01 1.02 1 97 VAL -0.24 -0.69 1 99 GLU 0.12 0.91 1 100 ASP -1.51 -0.54 1 101 ASN 3.50 2.38 1 102 LEU -2.35 -1.48 1 103 TYR -2.58 -0.86 1 104 TYR 0.43 1.75 1 106 ASN 3.37 1.32 1 108 ILE -3.97 -2.47 1 109 VAL 3.31 2.08 1 110 SER 0.35 2.24 1 111 HIS -0.91 0.01 1 112 ALA -1.31 -0.57 1 114 GLU -2.85 -0.81 1 116 ARG 0.26 0.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 4.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.11 _LACS_plot.Line_2_terminator_val_x_2 5.74 _LACS_plot.Line_2_terminator_val_y_2 -2.33 _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 105 THR -6.52 0.97 0 10 PHE -2.69 1.73 1 11 LYS -4.29 1.26 1 12 LEU -1.97 1.60 1 13 ASN 0.31 -1.98 1 14 THR 1.70 -1.11 1 15 LYS -1.39 0.48 1 16 ASN 2.61 -1.71 1 17 ILE 2.08 -0.58 1 18 LYS -5.22 4.04 1 19 VAL -6.47 3.08 1 20 LEU 3.20 -0.82 1 21 THR -0.64 0.91 1 23 SER -0.91 -0.31 1 25 PHE 3.68 -0.46 1 26 LYS -7.12 3.83 1 27 SER 0.39 0.35 1 28 PHE -5.21 2.31 1 29 SER 3.77 -0.17 1 31 ILE -6.14 3.67 1 32 GLN -5.82 3.95 1 33 LYS -4.40 2.65 1 34 VAL -5.38 2.95 1 35 TYR -1.45 1.03 1 36 LYS -6.50 3.43 1 38 PHE -3.04 1.20 1 39 TYR -1.71 0.07 1 40 HIS -0.22 1.47 1 41 HIS -6.24 4.01 1 42 ILE -2.07 1.12 1 43 ILE -2.96 2.52 1 44 PHE -2.97 2.34 1 45 ASP 2.55 -0.69 1 46 ASP -0.11 -1.09 1 48 SER 0.52 0.79 1 49 GLU -7.25 4.89 1 50 ILE -5.88 3.56 1 51 LYS -1.11 -0.26 1 53 SER -0.75 0.74 1 54 ASP 3.30 -0.17 1 55 ASN -1.12 -0.13 1 56 HIS 2.99 0.48 1 57 SER -4.71 3.08 1 58 PHE -3.29 3.18 1 60 LYS 3.35 -0.70 1 61 ASP 1.12 -0.83 1 62 LYS 5.74 -4.20 1 63 ILE 0.36 -0.60 1 64 LYS -0.78 0.99 1 65 ALA 3.54 -0.01 1 66 SER 2.43 -0.92 1 67 THR -0.33 0.47 1 68 ILE 2.02 -0.51 1 69 LYS -3.21 1.09 1 70 VAL 4.97 -1.67 1 72 ASP 0.04 0.34 1 73 TYR -2.97 2.27 1 74 LEU -3.42 2.36 1 75 GLN 4.16 -3.33 1 77 LYS -2.36 1.56 1 78 LYS -1.56 1.13 1 79 VAL 2.68 -1.04 1 80 LEU -0.98 1.23 1 81 TYR -4.67 4.18 1 82 ASN 1.45 -1.58 1 83 GLU -5.68 3.07 1 84 ILE 0.92 -0.71 1 85 VAL 0.98 -1.47 1 86 GLU 0.97 -2.33 1 87 GLU -5.04 3.62 1 89 ILE -4.37 3.39 1 90 TYR 0.49 0.11 1 91 LEU -7.00 4.33 1 92 TYR -6.49 5.36 1 93 ASP -4.90 3.81 1 94 LEU -1.64 0.21 1 95 LEU -4.41 2.84 1 96 ASN 3.01 -1.99 1 97 VAL -0.24 -0.45 1 99 GLU 0.12 0.79 1 100 ASP -1.51 0.97 1 101 ASN 3.50 -1.12 1 102 LEU -2.35 0.87 1 103 TYR -2.58 1.72 1 104 TYR 0.43 1.32 1 106 ASN 3.37 -2.05 1 108 ILE -3.97 1.50 1 109 VAL 3.31 -1.23 1 110 SER 0.35 1.89 1 111 HIS -0.91 0.92 1 112 ALA -1.31 0.74 1 114 GLU -2.85 2.04 1 116 ARG 0.26 0.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _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 5.74 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 LYS -1.11 1.73 0 10 PHE -2.69 0.73 1 11 LYS -4.29 0.17 1 12 LEU -1.97 -0.14 1 13 ASN 0.31 0.02 1 14 THR 1.70 0.00 1 15 LYS -1.39 0.20 1 16 ASN 2.61 -0.56 1 17 ILE 2.08 -0.12 1 18 LYS -5.22 0.89 1 19 VAL -6.47 1.54 1 20 LEU 3.20 -0.62 1 21 THR -0.64 0.13 1 23 SER -0.91 0.29 1 25 PHE 3.68 0.38 1 26 LYS -7.12 0.75 1 27 SER 0.39 0.10 1 28 PHE -5.21 1.19 1 29 SER 3.77 0.12 1 31 ILE -6.14 1.28 1 32 GLN -5.82 0.99 1 33 LYS -4.40 0.63 1 34 VAL -5.38 0.47 1 35 TYR -1.45 0.01 1 36 LYS -6.50 0.07 1 38 PHE -3.04 0.55 1 39 TYR -1.71 0.24 1 40 HIS -0.22 0.45 1 41 HIS -6.24 0.90 1 42 ILE -2.07 0.75 1 43 ILE -2.96 0.42 1 44 PHE -2.97 0.88 1 45 ASP 2.55 -0.32 1 46 ASP -0.11 0.09 1 48 SER 0.52 0.17 1 49 GLU -7.25 1.38 1 50 ILE -5.88 0.73 1 53 SER -0.75 0.12 1 54 ASP 3.30 -0.54 1 55 ASN -1.12 0.26 1 56 HIS 2.99 -0.59 1 57 SER -4.71 0.51 1 58 PHE -3.29 0.33 1 60 LYS 3.35 -0.19 1 61 ASP 1.12 -0.15 1 62 LYS 5.74 -1.14 1 63 ILE 0.36 -0.18 1 64 LYS -0.78 0.23 1 65 ALA 3.54 -0.33 1 66 SER 2.43 -0.64 1 67 THR -0.33 0.12 1 68 ILE 2.02 -0.23 1 69 LYS -3.21 0.31 1 70 VAL 4.97 -0.91 1 72 ASP 0.04 0.05 1 73 TYR -2.97 0.65 1 74 LEU -3.42 0.21 1 75 GLN 4.16 -0.56 1 77 LYS -2.36 0.33 1 78 LYS -1.56 -0.28 1 79 VAL 2.68 -0.46 1 80 LEU -0.98 0.01 1 81 TYR -4.67 -0.07 1 82 ASN 1.45 0.30 1 83 GLU -5.68 0.14 1 84 ILE 0.92 -0.20 1 85 VAL 0.98 -0.28 1 86 GLU 0.97 0.11 1 87 GLU -5.04 0.07 1 89 ILE -4.37 0.20 1 90 TYR 0.49 0.36 1 91 LEU -7.00 0.41 1 92 TYR -6.49 1.27 1 93 ASP -4.90 0.48 1 94 LEU -1.64 0.56 1 95 LEU -4.41 0.59 1 96 ASN 3.01 -0.19 1 97 VAL -0.24 0.30 1 99 GLU 0.12 0.11 1 100 ASP -1.51 0.10 1 101 ASN 3.50 -0.12 1 102 LEU -2.35 1.07 1 103 TYR -2.58 0.11 1 104 TYR 0.43 0.33 1 105 THR -6.52 0.34 1 106 ASN 3.37 -0.13 1 108 ILE -3.97 0.29 1 109 VAL 3.31 -0.20 1 110 SER 0.35 0.39 1 111 HIS -0.91 0.38 1 112 ALA -1.31 0.76 1 114 GLU -2.85 0.32 1 116 ARG 0.26 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.25 _LACS_plot.Line_1_terminator_val_y_1 -1.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 5.74 _LACS_plot.Line_2_terminator_val_y_2 0.53 _LACS_plot.Y_axis_chem_shift_offset 0.67 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 LYS -0.78 3.30 0 105 THR -6.52 1.63 0 31 ILE -6.14 -5.36 0 10 PHE -2.69 -1.42 1 11 LYS -4.29 -1.98 1 12 LEU -1.97 -0.35 1 13 ASN 0.31 0.49 1 14 THR 1.70 0.62 1 15 LYS -1.39 -1.49 1 16 ASN 2.61 -1.16 1 17 ILE 2.08 -0.23 1 18 LYS -5.22 -1.47 1 19 VAL -6.47 -1.98 1 20 LEU 3.20 -1.51 1 21 THR -0.64 0.90 1 23 SER -0.91 -1.05 1 25 PHE 3.68 1.07 1 26 LYS -7.12 -0.65 1 27 SER 0.39 -3.04 1 28 PHE -5.21 -0.09 1 29 SER 3.77 1.61 1 32 GLN -5.82 -2.88 1 33 LYS -4.40 -1.41 1 34 VAL -5.38 -3.69 1 35 TYR -1.45 -0.37 1 36 LYS -6.50 -0.93 1 38 PHE -3.04 -3.35 1 39 TYR -1.71 -3.33 1 42 ILE -2.07 -1.56 1 43 ILE -2.96 -1.07 1 44 PHE -2.97 1.86 1 45 ASP 2.55 -0.40 1 46 ASP -0.11 1.01 1 48 SER 0.52 -2.48 1 49 GLU -7.25 -1.83 1 50 ILE -5.88 -3.00 1 51 LYS -1.11 -0.57 1 53 SER -0.75 0.47 1 54 ASP 3.30 -1.02 1 55 ASN -1.12 -0.13 1 57 SER -4.71 -2.24 1 58 PHE -3.29 1.61 1 60 LYS 3.35 1.16 1 61 ASP 1.12 -1.30 1 62 LYS 5.74 -1.60 1 63 ILE 0.36 0.93 1 65 ALA 3.54 0.41 1 66 SER 2.43 1.08 1 67 THR -0.33 -0.42 1 68 ILE 2.02 -0.60 1 69 LYS -3.21 -0.21 1 70 VAL 4.97 1.44 1 72 ASP 0.04 -1.75 1 73 TYR -2.97 0.37 1 74 LEU -3.42 -2.74 1 75 GLN 4.16 -0.21 1 77 LYS -2.36 -2.03 1 78 LYS -1.56 -0.27 1 79 VAL 2.68 0.01 1 80 LEU -0.98 -1.48 1 81 TYR -4.67 -2.02 1 82 ASN 1.45 -1.18 1 83 GLU -5.68 -1.27 1 84 ILE 0.92 -0.61 1 85 VAL 0.98 -0.04 1 86 GLU 0.97 -1.50 1 87 GLU -5.04 -3.13 1 89 ILE -4.37 -4.52 1 90 TYR 0.49 -1.71 1 91 LEU -7.00 -3.03 1 92 TYR -6.49 -0.03 1 93 ASP -4.90 -1.42 1 94 LEU -1.64 -3.12 1 95 LEU -4.41 -0.72 1 96 ASN 3.01 -1.23 1 97 VAL -0.24 -0.10 1 99 GLU 0.12 1.06 1 100 ASP -1.51 -0.10 1 101 ASN 3.50 -2.11 1 102 LEU -2.35 -0.43 1 103 TYR -2.58 -2.85 1 104 TYR 0.43 0.80 1 106 ASN 3.37 -0.27 1 108 ILE -3.97 -1.42 1 109 VAL 3.31 1.35 1 110 SER 0.35 -3.65 1 112 ALA -1.31 -0.94 1 114 GLU -2.85 -0.33 1 116 ARG 0.26 0.31 1 stop_ save_