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 bmr17636_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 6.87 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 GLU -0.79 -3.40 0 10 ARG 0.22 0.00 1 11 LEU -0.19 -0.14 1 12 ALA -0.46 -0.25 1 13 SER 0.03 -0.06 1 16 THR -0.20 -0.18 1 17 SER 0.03 -0.03 1 18 ARG 0.08 -0.12 1 20 SER 0.46 0.20 1 21 SER 2.27 1.61 1 22 GLU 2.76 2.13 1 23 ALA 3.18 2.13 1 24 ARG 4.47 3.05 1 25 GLU 3.59 2.25 1 26 GLU 3.63 2.52 1 27 LEU 3.33 2.76 1 28 ARG 5.63 4.48 1 29 ARG 4.49 3.34 1 30 ARG 3.93 3.24 1 31 LEU 4.78 3.19 1 32 ARG 6.06 3.81 1 33 ASP 4.54 3.24 1 34 LEU 4.10 2.77 1 35 ILE 4.56 4.52 1 36 GLU 2.73 2.03 1 38 ASN -4.05 -0.85 1 39 ARG 5.61 4.19 1 40 VAL -0.37 -0.29 1 41 MET -5.42 -3.06 1 42 ILE -1.68 -0.43 1 43 PHE 0.32 0.26 1 44 SER -3.83 -1.86 1 45 LYS -3.21 0.85 1 46 SER 4.86 3.88 1 47 TYR -2.28 -3.42 1 50 HIS 2.55 4.35 1 51 SER 4.70 4.93 1 52 THR 6.96 5.69 1 53 ARG 4.56 3.86 1 54 VAL 5.49 4.11 1 55 LYS 5.32 4.71 1 56 GLU 3.20 2.38 1 57 LEU 5.12 2.78 1 58 PHE 7.74 6.34 1 59 SER 5.20 4.36 1 60 SER 4.07 3.23 1 61 LEU -0.70 -0.19 1 63 VAL -2.51 -1.60 1 64 VAL 2.21 0.90 1 65 TYR -6.17 -3.51 1 66 ASN -4.45 -2.26 1 67 ILE -7.04 -3.00 1 68 LEU -2.89 -0.33 1 70 LEU 4.28 3.62 1 71 ASP 1.37 0.05 1 72 GLN -0.44 -0.55 1 73 VAL -2.86 -2.32 1 74 ASP 2.48 2.01 1 75 ASP 0.99 -1.24 1 77 ALA 4.35 2.75 1 78 SER 4.39 3.45 1 79 VAL 6.96 4.80 1 80 GLN 4.05 3.11 1 81 GLU 3.80 3.37 1 82 VAL 6.00 3.96 1 83 LEU 3.89 2.67 1 84 THR 6.37 4.87 1 85 GLU 3.54 3.09 1 86 ILE 2.36 2.75 1 87 SER -2.98 0.42 1 88 ASN 2.85 1.63 1 89 GLN -1.91 -0.72 1 90 LYS 0.43 0.95 1 91 THR -3.03 -1.56 1 92 VAL -1.15 -0.85 1 94 ASN -2.61 -0.14 1 95 ILE 0.30 1.47 1 96 PHE -4.90 -1.50 1 97 VAL -3.35 -2.10 1 98 ASN 2.01 0.77 1 99 LYS 5.66 2.66 1 100 VAL 0.55 0.20 1 101 HIS -0.05 1.80 1 102 VAL 2.68 1.54 1 107 ARG 3.46 2.93 1 108 THR 9.26 6.48 1 109 PHE 7.62 5.68 1 110 GLN 4.79 3.64 1 111 ALA 3.18 0.98 1 112 HIS 2.13 4.01 1 113 GLN 3.56 2.60 1 114 ASN 0.17 -0.52 1 116 LEU 3.34 2.56 1 117 LEU 4.26 2.86 1 118 GLN 5.11 3.50 1 119 LYS 4.33 3.10 1 120 LEU 2.02 2.11 1 121 LEU 1.21 1.38 1 122 GLN 1.07 0.60 1 123 ASP 0.14 0.28 1 124 ASP 0.43 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17636_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 3.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 -2.39 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 GLU -0.79 -2.61 0 10 ARG 0.22 -0.22 1 11 LEU -0.19 0.05 1 12 ALA -0.46 0.21 1 13 SER 0.03 -0.09 1 16 THR -0.20 0.02 1 17 SER 0.03 -0.06 1 18 ARG 0.08 -0.20 1 20 SER 0.46 -0.26 1 21 SER 2.27 -0.66 1 22 GLU 2.76 -0.63 1 23 ALA 3.18 -1.05 1 24 ARG 4.47 -1.42 1 25 GLU 3.59 -1.34 1 26 GLU 3.63 -1.11 1 27 LEU 3.33 -0.57 1 28 ARG 5.63 -1.15 1 29 ARG 4.49 -1.15 1 30 ARG 3.93 -0.69 1 31 LEU 4.78 -1.59 1 32 ARG 6.06 -2.25 1 33 ASP 4.54 -1.30 1 34 LEU 4.10 -1.33 1 35 ILE 4.56 -0.04 1 36 GLU 2.73 -0.70 1 38 ASN -4.05 3.20 1 39 ARG 5.61 -1.42 1 40 VAL -0.37 0.08 1 41 MET -5.42 2.36 1 42 ILE -1.68 1.25 1 43 PHE 0.32 -0.06 1 44 SER -3.83 1.97 1 45 LYS -3.21 4.06 1 46 SER 4.86 -0.98 1 47 TYR -2.28 -1.14 1 50 HIS 2.55 1.80 1 51 SER 4.70 0.23 1 52 THR 6.96 -1.27 1 53 ARG 4.56 -0.70 1 54 VAL 5.49 -1.38 1 55 LYS 5.32 -0.61 1 56 GLU 3.20 -0.82 1 57 LEU 5.12 -2.34 1 58 PHE 7.74 -1.40 1 59 SER 5.20 -0.84 1 60 SER 4.07 -0.84 1 61 LEU -0.70 0.51 1 63 VAL -2.51 0.91 1 64 VAL 2.21 -1.31 1 65 TYR -6.17 2.66 1 66 ASN -4.45 2.19 1 67 ILE -7.04 4.04 1 68 LEU -2.89 2.56 1 70 LEU 4.28 -0.66 1 71 ASP 1.37 -1.32 1 72 GLN -0.44 -0.11 1 73 VAL -2.86 0.54 1 74 ASP 2.48 -0.47 1 75 ASP 0.99 -2.23 1 77 ALA 4.35 -1.60 1 78 SER 4.39 -0.94 1 79 VAL 6.96 -2.16 1 80 GLN 4.05 -0.94 1 81 GLU 3.80 -0.43 1 82 VAL 6.00 -2.04 1 83 LEU 3.89 -1.22 1 84 THR 6.37 -1.50 1 85 GLU 3.54 -0.45 1 86 ILE 2.36 0.39 1 87 SER -2.98 3.40 1 88 ASN 2.85 -1.22 1 89 GLN -1.91 1.19 1 90 LYS 0.43 0.52 1 91 THR -3.03 1.47 1 92 VAL -1.15 0.30 1 94 ASN -2.61 2.47 1 95 ILE 0.30 1.17 1 96 PHE -4.90 3.40 1 97 VAL -3.35 1.25 1 98 ASN 2.01 -1.24 1 99 LYS 5.66 -3.00 1 100 VAL 0.55 -0.35 1 101 HIS -0.05 1.85 1 102 VAL 2.68 -1.14 1 107 ARG 3.46 -0.53 1 108 THR 9.26 -2.78 1 109 PHE 7.62 -1.94 1 110 GLN 4.79 -1.15 1 111 ALA 3.18 -2.20 1 112 HIS 2.13 1.88 1 113 GLN 3.56 -0.96 1 114 ASN 0.17 -0.69 1 116 LEU 3.34 -0.78 1 117 LEU 4.26 -1.40 1 118 GLN 5.11 -1.61 1 119 LYS 4.33 -1.23 1 120 LEU 2.02 0.09 1 121 LEU 1.21 0.17 1 122 GLN 1.07 -0.47 1 123 ASP 0.14 0.14 1 124 ASP 0.43 1.28 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17636_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 0.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 -0.87 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 HIS -0.05 -1.02 0 10 ARG 0.22 -0.12 1 11 LEU -0.19 -0.08 1 12 ALA -0.46 -0.08 1 13 SER 0.03 -0.15 1 16 THR -0.20 -0.04 1 17 SER 0.03 -0.08 1 18 ARG 0.08 -0.09 1 20 SER 0.46 -0.13 1 21 SER 2.27 -0.21 1 22 GLU 2.76 -0.27 1 23 ALA 3.18 -0.20 1 24 ARG 4.47 -0.41 1 25 GLU 3.59 -0.32 1 26 GLU 3.63 -0.33 1 27 LEU 3.33 -0.32 1 28 ARG 5.63 -0.75 1 29 ARG 4.49 -0.52 1 30 ARG 3.93 -0.35 1 31 LEU 4.78 -0.35 1 32 ARG 6.06 -0.60 1 33 ASP 4.54 -0.38 1 34 LEU 4.10 -0.53 1 35 ILE 4.56 -1.03 1 36 GLU 2.73 -0.51 1 38 ASN -4.05 0.13 1 39 ARG 5.61 -0.47 1 40 VAL -0.37 0.41 1 41 MET -5.42 0.63 1 42 ILE -1.68 0.32 1 43 PHE 0.32 0.32 1 44 SER -3.83 0.21 1 45 LYS -3.21 0.36 1 46 SER 4.86 0.16 1 47 TYR -2.28 0.09 1 50 HIS 2.55 -0.31 1 51 SER 4.70 -0.57 1 52 THR 6.96 -0.65 1 53 ARG 4.56 -0.24 1 54 VAL 5.49 -0.50 1 55 LYS 5.32 -1.00 1 56 GLU 3.20 -0.43 1 57 LEU 5.12 -0.42 1 58 PHE 7.74 -0.77 1 59 SER 5.20 0.05 1 60 SER 4.07 -0.22 1 61 LEU -0.70 -0.05 1 63 VAL -2.51 0.05 1 64 VAL 2.21 -0.35 1 65 TYR -6.17 0.51 1 66 ASN -4.45 0.19 1 67 ILE -7.04 1.08 1 68 LEU -2.89 0.05 1 69 GLU -0.79 0.61 1 70 LEU 4.28 -0.50 1 71 ASP 1.37 -0.02 1 72 GLN -0.44 0.12 1 73 VAL -2.86 0.37 1 74 ASP 2.48 -0.31 1 75 ASP 0.99 0.04 1 77 ALA 4.35 -0.15 1 78 SER 4.39 -0.31 1 79 VAL 6.96 -0.79 1 80 GLN 4.05 -0.61 1 81 GLU 3.80 -0.39 1 82 VAL 6.00 -0.51 1 83 LEU 3.89 -0.62 1 84 THR 6.37 -0.58 1 85 GLU 3.54 -0.44 1 86 ILE 2.36 -0.28 1 87 SER -2.98 -0.12 1 88 ASN 2.85 -0.32 1 89 GLN -1.91 0.25 1 90 LYS 0.43 0.07 1 91 THR -3.03 0.19 1 92 VAL -1.15 -0.28 1 94 ASN -2.61 0.12 1 95 ILE 0.30 0.69 1 96 PHE -4.90 0.67 1 97 VAL -3.35 0.87 1 98 ASN 2.01 -0.31 1 99 LYS 5.66 -0.94 1 100 VAL 0.55 -0.10 1 102 VAL 2.68 -0.52 1 107 ARG 3.46 -0.45 1 108 THR 9.26 -0.81 1 109 PHE 7.62 -0.66 1 110 GLN 4.79 -0.32 1 111 ALA 3.18 0.14 1 112 HIS 2.13 -0.39 1 113 GLN 3.56 -0.61 1 114 ASN 0.17 -0.10 1 116 LEU 3.34 -0.20 1 117 LEU 4.26 -0.53 1 118 GLN 5.11 -0.49 1 119 LYS 4.33 -0.32 1 120 LEU 2.02 -0.21 1 121 LEU 1.21 -0.52 1 122 GLN 1.07 -0.17 1 123 ASP 0.14 -0.06 1 124 ASP 0.43 -0.36 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17636_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.40 _LACS_plot.Line_2_terminator_val_x_2 9.26 _LACS_plot.Line_2_terminator_val_y_2 3.35 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 LYS -3.21 3.29 0 18 ARG 0.08 -0.49 1 22 GLU 2.76 1.75 1 23 ALA 3.18 2.64 1 24 ARG 4.47 1.89 1 25 GLU 3.59 2.65 1 26 GLU 3.63 2.30 1 27 LEU 3.33 0.82 1 28 ARG 5.63 2.03 1 29 ARG 4.49 1.74 1 30 ARG 3.93 3.43 1 31 LEU 4.78 1.27 1 32 ARG 6.06 2.31 1 34 LEU 4.10 1.30 1 35 ILE 4.56 0.70 1 36 GLU 2.73 2.23 1 38 ASN -4.05 -2.58 1 42 ILE -1.68 -2.43 1 44 SER -3.83 -0.96 1 50 HIS 2.55 4.54 1 52 THR 6.96 0.59 1 53 ARG 4.56 3.36 1 54 VAL 5.49 0.80 1 55 LYS 5.32 2.20 1 56 GLU 3.20 2.87 1 57 LEU 5.12 1.87 1 58 PHE 7.74 2.81 1 59 SER 5.20 4.01 1 60 SER 4.07 0.96 1 61 LEU -0.70 0.11 1 63 VAL -2.51 -0.96 1 64 VAL 2.21 -0.96 1 65 TYR -6.17 -3.02 1 66 ASN -4.45 -2.16 1 67 ILE -7.04 -2.05 1 68 LEU -2.89 -2.76 1 69 GLU -0.79 1.35 1 70 LEU 4.28 -0.60 1 72 GLN -0.44 -0.25 1 73 VAL -2.86 -0.32 1 75 ASP 0.99 0.89 1 79 VAL 6.96 1.20 1 80 GLN 4.05 1.90 1 81 GLU 3.80 3.17 1 82 VAL 6.00 1.32 1 83 LEU 3.89 3.76 1 84 THR 6.37 1.52 1 85 GLU 3.54 2.44 1 86 ILE 2.36 0.82 1 87 SER -2.98 -1.41 1 89 GLN -1.91 -0.04 1 91 THR -3.03 0.67 1 92 VAL -1.15 -1.69 1 95 ILE 0.30 -2.34 1 97 VAL -3.35 -0.67 1 99 LYS 5.66 -1.31 1 101 HIS -0.05 0.27 1 107 ARG 3.46 3.16 1 108 THR 9.26 1.19 1 109 PHE 7.62 3.44 1 110 GLN 4.79 1.72 1 111 ALA 3.18 3.08 1 112 HIS 2.13 3.74 1 113 GLN 3.56 1.67 1 114 ASN 0.17 1.69 1 116 LEU 3.34 0.88 1 117 LEU 4.26 0.10 1 118 GLN 5.11 2.22 1 119 LYS 4.33 2.90 1 120 LEU 2.02 1.78 1 122 GLN 1.07 -0.37 1 123 ASP 0.14 -1.10 1 stop_ save_