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 bmr7272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 -2.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.54 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 5.81 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 TRP 7.33 7.36 0 36 PHE 4.58 1.04 0 21 ASP -4.83 -2.00 0 10 LYS 4.28 2.97 1 11 TRP -0.72 -0.16 1 12 ALA -0.29 -0.41 1 13 ALA 1.69 1.80 1 14 SER -1.29 -0.36 1 15 LEU 5.04 1.74 1 16 GLU 6.58 4.84 1 17 ASN 2.39 2.52 1 18 LEU 5.23 4.10 1 19 LEU 2.92 0.96 1 20 GLU -0.76 -0.45 1 23 GLU 2.59 1.85 1 25 VAL 6.55 5.19 1 26 LYS 4.66 4.02 1 27 ARG 3.24 2.23 1 28 PHE 0.23 0.39 1 29 ARG 5.38 4.97 1 30 GLU 3.71 3.06 1 31 PHE 3.36 3.83 1 32 LEU 2.87 1.63 1 33 LYS 4.47 3.62 1 34 LYS 3.19 2.04 1 35 GLU -2.35 -2.55 1 37 SER -2.60 -1.09 1 38 GLU 1.77 2.39 1 39 GLU 5.40 3.84 1 40 ASN 4.34 3.50 1 41 VAL 2.83 1.60 1 42 LEU 4.70 2.91 1 43 PHE 3.25 2.63 1 45 LEU 3.08 2.77 1 46 ALA 3.51 2.45 1 48 GLU 3.01 1.57 1 49 ASP 2.92 2.57 1 50 PHE 3.32 3.72 1 51 LYS 2.93 2.06 1 52 LYS -0.02 -0.22 1 53 MET 1.44 1.85 1 54 GLN -1.33 0.39 1 55 ASP -2.29 -0.68 1 56 LYS 4.49 3.70 1 57 THR 6.22 4.53 1 58 GLN 3.20 2.66 1 59 MET 3.43 4.53 1 60 GLN 5.01 4.21 1 61 GLU 3.20 2.62 1 62 LYS 2.64 1.02 1 63 ALA 4.13 3.00 1 64 LYS 5.11 4.05 1 65 GLU 3.16 3.20 1 66 ILE 6.32 5.16 1 67 TYR 3.16 4.38 1 68 MET 3.66 2.01 1 69 THR 4.62 4.19 1 70 PHE -1.42 1.30 1 71 LEU -1.45 -0.12 1 72 SER -0.41 -0.42 1 73 SER 3.06 2.04 1 74 LYS 0.42 -0.74 1 75 ALA 0.13 0.05 1 76 SER 2.72 1.59 1 77 SER -2.19 -2.06 1 78 GLN 0.17 0.56 1 79 VAL -1.52 -1.54 1 80 ASN -0.08 -0.26 1 81 VAL -2.37 -1.93 1 82 GLU 0.63 0.65 1 84 GLN 1.38 0.98 1 85 SER 1.29 0.77 1 86 ARG 0.77 0.28 1 87 LEU -0.10 -0.03 1 88 ASN -0.93 -0.41 1 89 GLU 3.45 2.64 1 90 LYS 3.57 2.04 1 91 ILE 3.15 2.07 1 92 LEU 1.90 0.55 1 93 GLU 0.85 0.92 1 94 GLU -1.73 -1.04 1 96 HIS -1.08 1.54 1 98 LEU -0.01 -1.36 1 99 MET 4.17 3.80 1 100 PHE -0.58 -0.15 1 101 GLN 4.12 4.11 1 102 LYS 4.88 3.52 1 103 LEU 2.72 2.62 1 104 GLN 6.57 4.63 1 105 ASP 4.40 3.21 1 106 GLN 4.47 3.84 1 107 ILE 2.75 0.86 1 108 PHE 5.19 4.90 1 109 ASN 3.73 3.35 1 110 LEU 3.17 2.94 1 111 MET 2.04 4.01 1 112 LYS 4.24 4.00 1 113 TYR 1.65 0.87 1 114 ASP 0.26 1.46 1 115 SER 3.33 4.37 1 116 TYR 3.42 2.66 1 117 SER 3.64 2.62 1 118 ARG 4.20 3.79 1 119 PHE 3.18 2.23 1 120 LEU 2.58 0.88 1 121 LYS -1.09 -1.42 1 122 SER -2.51 0.06 1 123 ASP 3.54 2.71 1 124 LEU 2.20 2.56 1 125 PHE 1.83 2.35 1 126 LEU 1.97 1.65 1 127 LYS 1.88 1.04 1 128 HIS 1.16 2.37 1 129 LYS 1.42 1.16 1 130 ARG 1.87 1.38 1 131 THR 2.38 1.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 2.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 -1.52 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 TRP 7.33 0.03 0 36 PHE 4.58 -3.54 0 21 ASP -4.83 2.83 0 10 LYS 4.28 -1.31 1 11 TRP -0.72 0.56 1 12 ALA -0.29 -0.12 1 13 ALA 1.69 0.11 1 14 SER -1.29 0.93 1 15 LEU 5.04 -3.30 1 16 GLU 6.58 -1.74 1 17 ASN 2.39 0.13 1 18 LEU 5.23 -1.13 1 19 LEU 2.92 -1.96 1 20 GLU -0.76 0.31 1 23 GLU 2.59 -0.74 1 25 VAL 6.55 -1.36 1 26 LYS 4.66 -0.64 1 27 ARG 3.24 -1.01 1 28 PHE 0.23 0.16 1 29 ARG 5.38 -0.41 1 30 GLU 3.71 -0.65 1 31 PHE 3.36 0.47 1 32 LEU 2.87 -1.24 1 33 LYS 4.47 -0.85 1 34 LYS 3.19 -1.15 1 35 GLU -2.35 -0.20 1 37 SER -2.60 1.51 1 38 GLU 1.77 0.62 1 39 GLU 5.40 -1.56 1 40 ASN 4.34 -0.84 1 41 VAL 2.83 -1.23 1 42 LEU 4.70 -1.79 1 43 PHE 3.25 -0.62 1 45 LEU 3.08 -0.31 1 46 ALA 3.51 -1.06 1 48 GLU 3.01 -1.44 1 49 ASP 2.92 -0.35 1 50 PHE 3.32 0.40 1 51 LYS 2.93 -0.87 1 52 LYS -0.02 -0.20 1 53 MET 1.44 0.41 1 54 GLN -1.33 1.72 1 55 ASP -2.29 1.61 1 56 LYS 4.49 -0.79 1 57 THR 6.22 -1.69 1 58 GLN 3.20 -0.54 1 59 MET 3.43 1.10 1 60 GLN 5.01 -0.80 1 61 GLU 3.20 -0.58 1 62 LYS 2.64 -1.62 1 63 ALA 4.13 -1.13 1 64 LYS 5.11 -1.06 1 65 GLU 3.16 0.04 1 66 ILE 6.32 -1.16 1 67 TYR 3.16 1.22 1 68 MET 3.66 -1.65 1 69 THR 4.62 -0.43 1 70 PHE -1.42 2.72 1 71 LEU -1.45 1.33 1 72 SER -0.41 -0.01 1 73 SER 3.06 -1.02 1 74 LYS 0.42 -1.16 1 75 ALA 0.13 -0.08 1 76 SER 2.72 -1.13 1 77 SER -2.19 0.13 1 78 GLN 0.17 0.39 1 79 VAL -1.52 -0.02 1 80 ASN -0.08 -0.18 1 81 VAL -2.37 0.44 1 82 GLU 0.63 0.02 1 84 GLN 1.38 -0.40 1 85 SER 1.29 -0.52 1 86 ARG 0.77 -0.49 1 87 LEU -0.10 0.07 1 88 ASN -0.93 0.52 1 89 GLU 3.45 -0.81 1 90 LYS 3.57 -1.53 1 91 ILE 3.15 -1.08 1 92 LEU 1.90 -1.35 1 93 GLU 0.85 0.07 1 94 GLU -1.73 0.69 1 96 HIS -1.08 2.62 1 98 LEU -0.01 -1.35 1 99 MET 4.17 -0.37 1 100 PHE -0.58 0.43 1 101 GLN 4.12 -0.01 1 102 LYS 4.88 -1.36 1 103 LEU 2.72 -0.10 1 104 GLN 6.57 -1.94 1 105 ASP 4.40 -1.19 1 106 GLN 4.47 -0.63 1 107 ILE 2.75 -1.89 1 108 PHE 5.19 -0.29 1 109 ASN 3.73 -0.38 1 110 LEU 3.17 -0.23 1 111 MET 2.04 1.97 1 112 LYS 4.24 -0.24 1 113 TYR 1.65 -0.78 1 114 ASP 0.26 1.20 1 115 SER 3.33 1.04 1 116 TYR 3.42 -0.76 1 117 SER 3.64 -1.02 1 118 ARG 4.20 -0.41 1 119 PHE 3.18 -0.95 1 120 LEU 2.58 -1.70 1 121 LYS -1.09 -0.33 1 122 SER -2.51 2.57 1 123 ASP 3.54 -0.83 1 124 LEU 2.20 0.36 1 125 PHE 1.83 0.52 1 126 LEU 1.97 -0.32 1 127 LYS 1.88 -0.84 1 128 HIS 1.16 1.21 1 129 LYS 1.42 -0.26 1 130 ARG 1.87 -0.49 1 131 THR 2.38 -0.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 0.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _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 7.33 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 120 LEU 2.58 -1.43 0 43 PHE 3.25 -1.58 0 119 PHE 3.18 -1.61 0 10 LYS 4.28 -0.21 1 11 TRP -0.72 -0.20 1 12 ALA -0.29 -0.08 1 13 ALA 1.69 -0.10 1 14 SER -1.29 0.01 1 15 LEU 5.04 -1.14 1 16 GLU 6.58 -0.70 1 17 ASN 2.39 -0.47 1 18 LEU 5.23 -0.50 1 19 LEU 2.92 -0.68 1 20 GLU -0.76 -0.11 1 21 ASP -4.83 0.30 1 23 GLU 2.59 -0.19 1 25 VAL 6.55 -0.93 1 26 LYS 4.66 -0.49 1 27 ARG 3.24 -0.08 1 28 PHE 0.23 -0.76 1 29 ARG 5.38 -0.79 1 30 GLU 3.71 -0.47 1 31 PHE 3.36 -0.49 1 32 LEU 2.87 -0.73 1 33 LYS 4.47 -0.46 1 34 LYS 3.19 -0.51 1 35 GLU -2.35 0.05 1 36 PHE 4.58 -0.20 1 37 SER -2.60 0.60 1 38 GLU 1.77 -0.76 1 39 GLU 5.40 -0.35 1 40 ASN 4.34 -0.24 1 41 VAL 2.83 0.01 1 42 LEU 4.70 -0.22 1 44 TRP 7.33 -1.37 1 45 LEU 3.08 -0.52 1 46 ALA 3.51 -0.16 1 48 GLU 3.01 -0.57 1 49 ASP 2.92 -0.34 1 50 PHE 3.32 -0.58 1 51 LYS 2.93 -0.20 1 52 LYS -0.02 -0.09 1 53 MET 1.44 -0.42 1 54 GLN -1.33 0.00 1 55 ASP -2.29 0.04 1 56 LYS 4.49 -0.38 1 57 THR 6.22 -0.25 1 58 GLN 3.20 -0.17 1 59 MET 3.43 -0.45 1 60 GLN 5.01 -0.37 1 61 GLU 3.20 -0.24 1 62 LYS 2.64 0.04 1 63 ALA 4.13 -0.31 1 64 LYS 5.11 -0.25 1 65 GLU 3.16 -0.22 1 66 ILE 6.32 -0.45 1 67 TYR 3.16 -0.50 1 68 MET 3.66 -0.32 1 69 THR 4.62 -0.53 1 70 PHE -1.42 0.23 1 71 LEU -1.45 0.24 1 72 SER -0.41 -0.45 1 73 SER 3.06 -0.26 1 74 LYS 0.42 0.02 1 75 ALA 0.13 -0.15 1 76 SER 2.72 -0.26 1 77 SER -2.19 0.16 1 78 GLN 0.17 -0.28 1 79 VAL -1.52 0.22 1 80 ASN -0.08 0.04 1 81 VAL -2.37 0.21 1 82 GLU 0.63 -0.14 1 84 GLN 1.38 -0.07 1 85 SER 1.29 -0.06 1 86 ARG 0.77 -0.01 1 87 LEU -0.10 -0.01 1 88 ASN -0.93 -0.09 1 89 GLU 3.45 -0.83 1 90 LYS 3.57 -0.30 1 91 ILE 3.15 -0.20 1 92 LEU 1.90 -0.56 1 93 GLU 0.85 -0.26 1 94 GLU -1.73 0.12 1 96 HIS -1.08 -0.11 1 98 LEU -0.01 0.56 1 99 MET 4.17 -0.66 1 100 PHE -0.58 0.22 1 101 GLN 4.12 -0.44 1 102 LYS 4.88 -0.04 1 103 LEU 2.72 -0.05 1 104 GLN 6.57 -0.52 1 105 ASP 4.40 -0.03 1 106 GLN 4.47 -0.02 1 107 ILE 2.75 0.05 1 108 PHE 5.19 -0.85 1 109 ASN 3.73 -0.35 1 110 LEU 3.17 -0.07 1 111 MET 2.04 -0.14 1 112 LYS 4.24 -0.94 1 113 TYR 1.65 0.08 1 114 ASP 0.26 0.49 1 115 SER 3.33 -0.39 1 116 TYR 3.42 -0.36 1 117 SER 3.64 -0.81 1 118 ARG 4.20 -0.39 1 121 LYS -1.09 0.05 1 122 SER -2.51 0.04 1 123 ASP 3.54 -0.23 1 124 LEU 2.20 -0.20 1 125 PHE 1.83 -0.45 1 126 LEU 1.97 -0.50 1 127 LYS 1.88 -0.16 1 128 HIS 1.16 -0.31 1 130 ARG 1.87 -0.11 1 131 THR 2.38 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7272_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 -1.45 _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 -0.39 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 2.65 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 ASP -4.83 -0.54 0 10 LYS 4.28 2.74 1 11 TRP -0.72 1.11 1 12 ALA -0.29 -0.97 1 13 ALA 1.69 0.91 1 14 SER -1.29 -1.12 1 15 LEU 5.04 0.22 1 16 GLU 6.58 2.08 1 17 ASN 2.39 2.93 1 18 LEU 5.23 -0.54 1 19 LEU 2.92 -0.14 1 20 GLU -0.76 -0.85 1 23 GLU 2.59 2.05 1 25 VAL 6.55 1.39 1 26 LYS 4.66 2.82 1 27 ARG 3.24 1.98 1 28 PHE 0.23 2.23 1 29 ARG 5.38 1.44 1 30 GLU 3.71 2.27 1 31 PHE 3.36 1.56 1 32 LEU 2.87 3.06 1 33 LYS 4.47 3.33 1 34 LYS 3.19 -0.30 1 35 GLU -2.35 -1.56 1 36 PHE 4.58 0.17 1 37 SER -2.60 0.90 1 38 GLU 1.77 0.68 1 39 GLU 5.40 0.08 1 40 ASN 4.34 1.46 1 41 VAL 2.83 0.21 1 42 LEU 4.70 2.13 1 43 PHE 3.25 0.51 1 44 TRP 7.33 1.75 1 45 LEU 3.08 1.83 1 46 ALA 3.51 3.18 1 48 GLU 3.01 1.71 1 49 ASP 2.92 2.86 1 50 PHE 3.32 0.76 1 51 LYS 2.93 0.53 1 52 LYS -0.02 0.53 1 53 MET 1.44 -0.63 1 54 GLN -1.33 -0.47 1 55 ASP -2.29 -0.12 1 56 LYS 4.49 1.69 1 57 THR 6.22 2.20 1 58 GLN 3.20 2.97 1 59 MET 3.43 1.70 1 60 GLN 5.01 2.60 1 61 GLU 3.20 3.08 1 62 LYS 2.64 1.64 1 63 ALA 4.13 1.80 1 64 LYS 5.11 1.46 1 65 GLU 3.16 3.48 1 66 ILE 6.32 1.99 1 67 TYR 3.16 2.19 1 68 MET 3.66 1.75 1 69 THR 4.62 -0.35 1 70 PHE -1.42 -0.05 1 71 LEU -1.45 -0.84 1 72 SER -0.41 0.41 1 73 SER 3.06 0.72 1 74 LYS 0.42 -0.24 1 75 ALA 0.13 0.66 1 76 SER 2.72 0.81 1 77 SER -2.19 -1.39 1 78 GLN 0.17 0.81 1 79 VAL -1.52 -1.08 1 80 ASN -0.08 -0.78 1 81 VAL -2.37 -0.63 1 82 GLU 0.63 0.97 1 84 GLN 1.38 0.61 1 85 SER 1.29 -0.05 1 86 ARG 0.77 0.15 1 87 LEU -0.10 -1.78 1 88 ASN -0.93 -0.16 1 89 GLU 3.45 1.52 1 90 LYS 3.57 2.62 1 91 ILE 3.15 0.18 1 92 LEU 1.90 -0.34 1 93 GLU 0.85 0.12 1 94 GLU -1.73 -2.43 1 96 HIS -1.08 1.50 1 98 LEU -0.01 2.86 1 99 MET 4.17 -0.63 1 100 PHE -0.58 0.34 1 101 GLN 4.12 0.85 1 102 LYS 4.88 3.76 1 103 LEU 2.72 1.14 1 104 GLN 6.57 2.71 1 105 ASP 4.40 2.73 1 106 GLN 4.47 3.76 1 107 ILE 2.75 1.19 1 108 PHE 5.19 0.96 1 109 ASN 3.73 1.82 1 110 LEU 3.17 3.30 1 111 MET 2.04 1.79 1 112 LYS 4.24 0.54 1 113 TYR 1.65 -0.39 1 114 ASP 0.26 -0.87 1 115 SER 3.33 1.96 1 116 TYR 3.42 -0.41 1 117 SER 3.64 3.05 1 118 ARG 4.20 3.43 1 119 PHE 3.18 2.40 1 120 LEU 2.58 -1.42 1 121 LYS -1.09 -0.51 1 122 SER -2.51 0.11 1 123 ASP 3.54 1.64 1 124 LEU 2.20 0.31 1 125 PHE 1.83 0.70 1 126 LEU 1.97 1.17 1 127 LYS 1.88 0.71 1 128 HIS 1.16 1.57 1 129 LYS 1.42 0.29 1 130 ARG 1.87 1.22 1 131 THR 2.38 0.81 1 stop_ save_