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 bmr30543_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 -2.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.85 _LACS_plot.Line_2_terminator_val_x_2 7.47 _LACS_plot.Line_2_terminator_val_y_2 5.71 _LACS_plot.Y_axis_chem_shift_offset -0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 GLN 5.81 1.39 0 39 VAL -6.10 -2.19 0 100 ALA 5.33 0.84 0 11 TRP 4.14 3.70 1 12 SER 4.74 3.65 1 13 VAL 4.13 3.17 1 14 LEU 1.80 1.38 1 15 GLU 3.36 3.02 1 17 PHE -0.75 -0.07 1 18 ARG 6.17 6.16 1 19 VAL 6.37 4.63 1 20 THR 6.05 5.20 1 21 LEU 3.80 3.82 1 22 THR 3.30 2.66 1 23 SER 2.51 2.63 1 24 VAL 0.31 1.96 1 25 ILE 2.24 2.21 1 26 ASP -3.13 -2.77 1 28 SER 3.54 2.77 1 29 ARG 0.61 0.95 1 30 ILE -0.36 0.29 1 31 THR 3.12 3.98 1 33 TYR 3.19 2.81 1 34 LEU 4.18 3.03 1 35 ARG 4.01 3.03 1 38 LYS 0.09 -0.79 1 40 LEU 0.69 0.23 1 41 ASN 3.85 2.57 1 43 ASP 1.81 2.74 1 44 ASP 3.25 3.57 1 45 GLU 2.76 2.50 1 46 GLU 3.19 2.64 1 47 GLN 2.70 2.26 1 48 VAL 0.80 0.85 1 49 LEU -0.71 -0.01 1 50 SER -2.05 -0.06 1 51 ASP 0.45 0.78 1 53 ASN 0.91 0.50 1 54 LEU 2.64 2.26 1 55 VAL 0.40 0.13 1 56 ILE 5.21 4.96 1 57 ARG 3.31 3.26 1 58 LYS 3.15 2.20 1 59 ARG 3.55 3.42 1 60 LYS 6.42 4.59 1 61 VAL 5.33 4.13 1 63 VAL 4.38 3.12 1 64 LEU 4.63 3.18 1 65 LEU 4.54 3.37 1 66 ASP 4.71 4.48 1 67 ILE 2.30 2.20 1 68 LEU 4.94 2.75 1 69 GLN 2.97 2.21 1 70 ARG 0.57 0.56 1 71 THR 3.76 5.97 1 73 HIS 4.65 3.96 1 74 LYS 5.16 3.94 1 76 TYR 5.51 4.32 1 77 VAL 1.57 3.09 1 78 ALA 2.65 3.16 1 79 PHE 4.97 3.76 1 80 LEU 3.61 3.66 1 81 GLU 3.55 2.58 1 83 LEU 3.69 4.72 1 84 GLU 2.95 2.28 1 85 LEU 0.96 2.76 1 86 TYR -2.77 0.48 1 87 TYR 4.98 3.32 1 89 GLN 2.35 1.90 1 90 LEU 6.22 5.03 1 91 TYR 2.84 2.48 1 92 LYS 3.78 3.09 1 93 LYS 2.54 1.18 1 94 VAL -1.05 0.57 1 95 THR -3.76 -1.58 1 97 LYS -0.29 -0.20 1 98 GLU 0.19 0.70 1 101 ARG 0.96 0.57 1 102 VAL 4.89 1.13 1 103 PHE 5.80 3.86 1 105 MET 5.36 3.02 1 106 ILE 5.34 3.92 1 107 ILE 2.74 3.29 1 108 ASP 0.38 1.98 1 109 ALA -1.81 0.44 1 110 SER 4.09 3.81 1 112 GLU 3.94 2.58 1 113 SER 3.83 2.64 1 115 LEU 7.47 5.82 1 116 THR 4.61 3.45 1 117 GLN 4.09 3.17 1 118 LEU 2.47 2.93 1 119 LEU 2.67 2.98 1 120 MET 6.15 5.26 1 121 THR 3.42 2.16 1 122 GLU 7.15 5.60 1 123 VAL 3.85 4.12 1 124 MET 4.04 3.74 1 125 LYS 1.63 2.79 1 126 LEU 5.16 4.08 1 127 GLN 3.92 2.77 1 128 LYS 4.12 2.88 1 129 LYS 6.52 5.45 1 130 VAL 4.95 3.85 1 131 GLN 4.16 3.32 1 132 ASP 2.06 2.98 1 133 LEU 6.76 5.65 1 134 THR 3.61 2.52 1 135 ALA 2.00 2.09 1 136 LEU 1.53 1.78 1 137 LEU 1.23 1.20 1 138 SER 0.33 0.53 1 139 SER 0.20 0.21 1 140 LYS -0.31 0.24 1 141 ASP 0.40 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30543_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 4.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.15 _LACS_plot.Line_2_terminator_val_x_2 7.47 _LACS_plot.Line_2_terminator_val_y_2 -1.76 _LACS_plot.Y_axis_chem_shift_offset -0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 GLN 5.81 -4.42 0 39 VAL -6.10 3.91 0 100 ALA 5.33 -4.49 0 11 TRP 4.14 -0.44 1 12 SER 4.74 -1.09 1 13 VAL 4.13 -0.96 1 14 LEU 1.80 -0.42 1 15 GLU 3.36 -0.34 1 17 PHE -0.75 0.68 1 18 ARG 6.17 -0.01 1 19 VAL 6.37 -1.74 1 20 THR 6.05 -0.85 1 21 LEU 3.80 0.02 1 22 THR 3.30 -0.64 1 23 SER 2.51 0.12 1 24 VAL 0.31 1.65 1 25 ILE 2.24 -0.03 1 26 ASP -3.13 0.36 1 28 SER 3.54 -0.77 1 29 ARG 0.61 0.34 1 30 ILE -0.36 0.65 1 31 THR 3.12 0.86 1 33 TYR 3.19 -0.38 1 34 LEU 4.18 -1.15 1 35 ARG 4.01 -0.98 1 38 LYS 0.09 -0.88 1 40 LEU 0.69 -0.46 1 41 ASN 3.85 -1.28 1 43 ASP 1.81 0.93 1 44 ASP 3.25 0.32 1 45 GLU 2.76 -0.26 1 46 GLU 3.19 -0.55 1 47 GLN 2.70 -0.44 1 48 VAL 0.80 0.05 1 49 LEU -0.71 0.70 1 50 SER -2.05 1.99 1 51 ASP 0.45 0.33 1 53 ASN 0.91 -0.41 1 54 LEU 2.64 -0.38 1 55 VAL 0.40 -0.27 1 56 ILE 5.21 -0.25 1 57 ARG 3.31 -0.05 1 58 LYS 3.15 -0.95 1 59 ARG 3.55 -0.13 1 60 LYS 6.42 -1.83 1 61 VAL 5.33 -1.20 1 63 VAL 4.38 -1.26 1 64 LEU 4.63 -1.45 1 65 LEU 4.54 -1.17 1 66 ASP 4.71 -0.23 1 67 ILE 2.30 -0.10 1 68 LEU 4.94 -2.19 1 69 GLN 2.97 -0.76 1 70 ARG 0.57 -0.01 1 71 THR 3.76 2.21 1 73 HIS 4.65 -0.69 1 74 LYS 5.16 -1.22 1 76 TYR 5.51 -1.19 1 77 VAL 1.57 1.52 1 78 ALA 2.65 0.51 1 79 PHE 4.97 -1.21 1 80 LEU 3.61 0.05 1 81 GLU 3.55 -0.97 1 83 LEU 3.69 1.03 1 84 GLU 2.95 -0.67 1 85 LEU 0.96 1.80 1 86 TYR -2.77 3.25 1 87 TYR 4.98 -1.66 1 89 GLN 2.35 -0.45 1 90 LEU 6.22 -1.19 1 91 TYR 2.84 -0.36 1 92 LYS 3.78 -0.69 1 93 LYS 2.54 -1.36 1 94 VAL -1.05 1.62 1 95 THR -3.76 2.18 1 97 LYS -0.29 0.09 1 98 GLU 0.19 0.51 1 101 ARG 0.96 -0.39 1 102 VAL 4.89 -3.76 1 103 PHE 5.80 -1.94 1 105 MET 5.36 -2.34 1 106 ILE 5.34 -1.42 1 107 ILE 2.74 0.55 1 108 ASP 0.38 1.60 1 109 ALA -1.81 2.25 1 110 SER 4.09 -0.28 1 112 GLU 3.94 -1.36 1 113 SER 3.83 -1.19 1 115 LEU 7.47 -1.65 1 116 THR 4.61 -1.16 1 117 GLN 4.09 -0.92 1 118 LEU 2.47 0.46 1 119 LEU 2.67 0.31 1 120 MET 6.15 -0.89 1 121 THR 3.42 -1.26 1 122 GLU 7.15 -1.55 1 123 VAL 3.85 0.27 1 124 MET 4.04 -0.30 1 125 LYS 1.63 1.16 1 126 LEU 5.16 -1.08 1 127 GLN 3.92 -1.15 1 128 LYS 4.12 -1.24 1 129 LYS 6.52 -1.07 1 130 VAL 4.95 -1.10 1 131 GLN 4.16 -0.84 1 132 ASP 2.06 0.92 1 133 LEU 6.76 -1.11 1 134 THR 3.61 -1.09 1 135 ALA 2.00 0.09 1 136 LEU 1.53 0.25 1 137 LEU 1.23 -0.03 1 138 SER 0.33 0.20 1 139 SER 0.20 0.01 1 140 LYS -0.31 0.55 1 141 ASP 0.40 1.31 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30543_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 0.42 _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 7.47 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 LEU 4.94 -1.64 0 12 SER 4.74 -0.19 1 13 VAL 4.13 -0.20 1 14 LEU 1.80 0.13 1 15 GLU 3.36 -0.18 1 17 PHE -0.75 0.40 1 18 ARG 6.17 -0.55 1 19 VAL 6.37 -0.42 1 20 THR 6.05 -0.33 1 21 LEU 3.80 -0.41 1 22 THR 3.30 -0.42 1 23 SER 2.51 -0.02 1 24 VAL 0.31 -0.08 1 25 ILE 2.24 -1.13 1 26 ASP -3.13 0.03 1 28 SER 3.54 -0.26 1 29 ARG 0.61 -0.36 1 30 ILE -0.36 0.25 1 31 THR 3.12 -0.82 1 33 TYR 4.18 0.06 1 35 ARG 4.01 -0.21 1 36 GLN 5.81 -0.27 1 38 LYS 0.09 0.38 1 39 VAL -6.10 0.37 1 40 LEU 0.69 -0.04 1 41 ASN 3.85 -0.24 1 43 ASP 1.81 -0.23 1 44 ASP 3.25 -0.68 1 45 GLU 2.76 -0.36 1 46 GLU 3.19 -0.23 1 47 GLN 2.70 -0.25 1 48 VAL 0.80 -0.06 1 49 LEU -0.71 0.08 1 50 SER -2.05 -0.06 1 51 ASP 0.45 -0.08 1 53 ASN 0.91 0.03 1 54 LEU 2.64 -0.17 1 55 VAL 0.40 0.05 1 56 ILE 5.21 -0.45 1 57 ARG 3.31 0.08 1 58 LYS 3.15 -0.10 1 59 ARG 6.42 -0.66 1 61 VAL 5.33 -0.36 1 63 VAL 4.38 -0.46 1 64 LEU 4.63 -0.78 1 65 LEU 4.54 -0.60 1 66 ASP 4.71 -0.72 1 67 ILE 2.30 -0.35 1 69 GLN 2.97 -0.18 1 70 ARG 0.57 0.17 1 71 THR 4.65 -0.23 1 74 LYS 5.16 -1.10 1 76 TYR 5.51 -0.89 1 77 VAL 1.57 -0.22 1 78 ALA 2.65 -0.34 1 79 PHE 4.97 -0.80 1 80 LEU 3.61 -0.42 1 81 GLU 3.55 -0.30 1 83 LEU 3.69 -1.34 1 84 GLU 2.95 -0.38 1 85 LEU 0.96 -0.62 1 86 TYR -2.77 0.24 1 87 TYR 4.98 -0.15 1 89 GLN 2.35 -0.22 1 90 LEU 6.22 -1.04 1 91 TYR 2.84 -0.01 1 92 LYS 3.78 -0.40 1 93 LYS 2.54 -1.08 1 94 VAL -1.05 -0.15 1 95 THR -3.76 0.26 1 97 LYS -0.29 -0.15 1 98 GLU 0.19 -0.20 1 100 ALA 0.96 -0.23 1 102 VAL 4.89 -0.68 1 103 PHE 5.80 -0.10 1 105 MET 5.36 -0.16 1 106 ILE 5.34 -0.69 1 107 ILE 2.74 -0.24 1 108 ASP 0.38 0.00 1 109 ALA -1.81 0.33 1 110 SER 4.09 -0.44 1 112 GLU 3.94 -0.15 1 113 SER 7.47 -0.83 1 116 THR 4.61 -0.31 1 117 GLN 4.09 -0.18 1 118 LEU 2.47 -0.41 1 119 LEU 2.67 -0.33 1 120 MET 6.15 -0.37 1 121 THR 7.15 -0.67 1 123 VAL 3.85 -0.35 1 124 MET 4.04 -0.27 1 125 LYS 1.63 -0.21 1 126 LEU 5.16 -0.45 1 127 GLN 3.92 -0.19 1 128 LYS 4.12 -0.07 1 129 LYS 6.52 -0.62 1 130 VAL 4.95 -0.29 1 131 GLN 4.16 -0.21 1 132 ASP 2.06 -0.19 1 133 LEU 6.76 -0.49 1 134 THR 3.61 -0.10 1 135 ALA 2.00 -0.13 1 136 LEU 1.53 -0.19 1 137 LEU 1.23 0.00 1 138 SER 0.33 0.05 1 139 SER 0.20 0.09 1 140 LYS -0.31 0.07 1 141 ASP 0.40 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30543_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.10 _LACS_plot.Line_1_terminator_val_y_1 -2.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.07 _LACS_plot.Line_2_terminator_val_x_2 7.47 _LACS_plot.Line_2_terminator_val_y_2 2.99 _LACS_plot.Y_axis_chem_shift_offset -0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 LEU -6.10 -2.30 0 11 TRP 4.14 3.10 1 12 SER 4.74 2.70 1 13 VAL 4.13 2.40 1 15 GLU 3.36 3.19 1 18 ARG 6.17 2.03 1 19 VAL 6.37 2.20 1 20 THR 6.05 1.46 1 21 LEU 3.80 1.44 1 22 THR 3.30 0.70 1 23 SER 2.51 0.63 1 24 VAL 0.31 -0.31 1 25 ILE 2.24 -1.91 1 26 ASP -3.13 1.60 1 28 SER 3.54 0.60 1 29 ARG 0.61 1.03 1 30 ILE -0.36 -0.02 1 33 TYR 3.12 2.25 1 34 LEU 3.19 2.16 1 35 ARG 4.18 4.98 1 36 GLN 4.01 1.82 1 38 LYS 5.81 -0.41 1 39 VAL 0.09 -2.68 1 41 ASN 0.69 1.08 1 43 ASP 3.85 2.38 1 44 ASP 1.81 1.67 1 45 GLU 3.25 1.18 1 46 GLU 2.76 2.22 1 47 GLN 3.19 1.19 1 48 VAL 2.70 0.01 1 49 LEU 0.80 1.34 1 50 SER -0.71 -0.63 1 53 ASN 0.45 0.45 1 54 LEU 0.91 -1.13 1 55 VAL 2.64 0.99 1 57 ARG 5.21 1.89 1 58 LYS 3.31 3.24 1 59 ARG 3.15 3.02 1 60 LYS 3.55 2.19 1 61 VAL 6.42 1.20 1 63 VAL 5.33 1.49 1 64 LEU 4.38 0.37 1 65 LEU 4.63 0.83 1 66 ASP 4.54 3.03 1 67 ILE 4.71 3.41 1 68 LEU 2.30 2.58 1 69 GLN 4.94 2.53 1 70 ARG 2.97 1.33 1 71 THR 0.57 1.38 1 73 HIS 3.76 3.14 1 74 LYS 4.65 1.71 1 76 TYR 5.16 0.21 1 77 VAL 5.51 3.11 1 78 ALA 1.57 0.99 1 79 PHE 2.65 2.78 1 80 LEU 4.97 1.62 1 81 GLU 3.61 2.31 1 83 LEU 3.55 1.03 1 84 GLU 3.69 0.09 1 85 LEU 2.95 -0.45 1 86 TYR 0.96 0.31 1 87 TYR -2.77 -1.09 1 89 GLN 4.98 3.39 1 90 LEU 2.35 0.59 1 91 TYR 6.22 2.25 1 92 LYS 2.84 2.73 1 93 LYS 3.78 1.06 1 94 VAL 2.54 0.78 1 95 THR -1.05 2.21 1 97 LYS -3.76 -1.92 1 100 ALA 0.19 0.50 1 101 ARG 5.33 -2.14 1 102 VAL 0.96 1.10 1 103 PHE 4.89 -0.77 1 105 MET 5.80 3.45 1 106 ILE 5.36 1.54 1 107 ILE 5.34 2.79 1 108 ASP 2.74 1.26 1 109 ALA 0.38 1.81 1 110 SER -1.81 0.24 1 112 GLU 4.09 2.97 1 113 SER 3.94 2.61 1 115 LEU 3.83 0.52 1 116 THR 7.47 1.49 1 117 GLN 4.61 3.02 1 118 LEU 4.09 3.43 1 119 LEU 2.47 0.95 1 120 MET 2.67 2.29 1 122 GLU 3.42 2.06 1 123 VAL 7.15 1.53 1 124 MET 3.85 3.54 1 125 LYS 4.04 3.95 1 126 LEU 1.63 1.57 1 127 GLN 5.16 3.83 1 128 LYS 3.92 1.22 1 129 LYS 4.12 2.45 1 130 VAL 6.52 3.26 1 131 GLN 4.95 2.88 1 132 ASP 4.16 3.44 1 133 LEU 2.06 1.50 1 134 THR 6.76 2.46 1 135 ALA 3.61 2.65 1 136 LEU 2.00 2.03 1 137 LEU 1.53 0.85 1 138 SER 1.23 0.32 1 139 SER 0.33 0.00 1 140 LYS 0.20 -0.36 1 141 ASP -0.31 -1.17 1 142 ASP 0.40 4.82 1 stop_ save_