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 bmr25350_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.21 _LACS_plot.Line_1_terminator_val_y_1 -3.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.40 _LACS_plot.Line_2_terminator_val_x_2 9.12 _LACS_plot.Line_2_terminator_val_y_2 6.85 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 ALA -1.54 -3.52 0 125 LYS 3.94 -0.26 0 69 LYS 5.02 0.42 0 13 LEU 0.51 0.24 1 14 SER 0.36 0.00 1 17 LEU 0.40 0.23 1 20 THR 0.05 0.05 1 21 GLU 0.33 0.37 1 22 ASN 0.23 0.18 1 23 SER 0.39 0.40 1 24 ASP 0.91 0.71 1 25 GLN 0.74 0.47 1 26 ALA 0.47 0.12 1 27 ARG 0.46 0.17 1 28 ASP 0.22 0.10 1 30 THR 0.37 0.40 1 31 LEU -0.25 -0.20 1 33 TYR 0.40 -0.06 1 34 THR -0.59 -0.34 1 35 LYS 0.60 0.25 1 36 ASP 2.42 3.69 1 37 ARG 4.47 4.01 1 38 PHE 4.56 4.16 1 39 TYR -2.26 -0.23 1 40 LEU 5.07 3.00 1 41 GLN -0.69 -0.37 1 43 LEU -4.21 -1.41 1 46 THR 6.60 4.68 1 47 GLU 2.46 2.80 1 48 ALA 3.69 2.68 1 49 ALA 4.12 2.85 1 50 GLN 4.13 2.46 1 51 ARG 6.07 4.41 1 52 ALA 3.49 1.75 1 53 LYS 5.20 4.22 1 54 VAL 6.31 4.53 1 55 SER 5.05 3.73 1 56 ALA 4.01 2.89 1 57 SER 4.73 3.74 1 58 GLU -0.07 2.67 1 59 ILE 6.72 4.46 1 60 LEU 4.53 2.78 1 61 ASN 1.59 0.94 1 62 VAL 2.24 1.18 1 63 LYS 4.16 2.44 1 64 GLN 4.74 2.44 1 65 PHE 1.74 1.26 1 66 ILE 5.62 4.44 1 67 ASP 4.33 3.04 1 68 ARG -0.92 -0.63 1 71 TRP 6.77 5.55 1 74 LEU -1.31 -1.14 1 76 ASN 7.71 5.62 1 77 ASP 3.16 4.04 1 78 LEU 2.42 3.24 1 79 ARG 4.31 3.45 1 80 LEU 2.78 2.79 1 81 ARG 3.44 1.91 1 82 ALA 3.39 2.99 1 83 SER 4.73 3.63 1 84 TYR -1.98 1.24 1 85 LEU 4.72 4.04 1 86 ARG 5.11 4.21 1 87 TYR -1.52 -1.46 1 88 ASP 2.68 3.72 1 89 LEU 3.91 3.69 1 90 LYS 5.26 3.92 1 91 THR 6.29 4.92 1 92 VAL 5.60 5.01 1 93 ILE 5.87 5.43 1 94 SER 4.07 3.22 1 95 ALA -1.65 -0.89 1 96 LYS -0.42 -0.80 1 98 LYS 4.90 4.71 1 99 ASP 4.37 3.01 1 100 GLU 0.19 1.39 1 101 LYS 4.66 4.42 1 102 LYS 4.11 3.48 1 103 SER 4.67 3.40 1 104 LEU 3.33 2.86 1 105 GLN 5.13 3.89 1 106 GLU 3.40 2.98 1 107 LEU 2.55 2.61 1 108 THR 8.20 5.87 1 109 SER 4.94 3.42 1 110 LYS 4.32 3.62 1 111 LEU 4.04 2.73 1 112 PHE 7.33 4.94 1 113 SER 5.48 3.82 1 114 SER 5.26 4.64 1 115 ILE 6.12 5.05 1 116 ASP 5.02 3.50 1 117 ASN 5.33 2.55 1 118 LEU 4.19 2.67 1 119 ASP 2.99 3.74 1 120 HIS 5.83 5.84 1 121 ALA 3.56 2.30 1 122 ALA 1.74 1.96 1 123 LYS 4.39 3.36 1 124 ILE 1.56 -0.04 1 126 SER -3.49 -3.27 1 128 THR 5.31 3.35 1 129 GLU 1.63 2.13 1 130 ALA 3.92 3.01 1 131 GLU 4.03 3.58 1 132 LYS 3.75 2.83 1 133 TYR 6.52 4.68 1 134 TYR 6.18 5.43 1 136 GLN 4.00 3.39 1 137 THR 9.13 6.52 1 138 VAL 6.50 5.03 1 139 SER 4.77 3.45 1 140 ASN 2.83 2.84 1 141 ILE 6.57 4.09 1 142 ASN 4.99 3.35 1 143 GLU 3.30 3.04 1 144 VAL 6.07 4.74 1 145 LEU 4.49 3.06 1 146 ALA 3.40 2.23 1 147 LYS -0.46 -0.84 1 148 LEU 0.92 0.85 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25350_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.21 _LACS_plot.Line_1_terminator_val_y_1 0.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 9.12 _LACS_plot.Line_2_terminator_val_y_2 -2.27 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 ALA -1.54 -1.98 0 125 LYS 3.94 -4.20 0 69 LYS 5.02 -4.60 0 13 LEU 0.51 -0.27 1 14 SER 0.36 -0.36 1 17 LEU 0.40 -0.17 1 20 THR 0.05 0.00 1 21 GLU 0.33 0.04 1 22 ASN 0.23 -0.05 1 23 SER 0.39 0.01 1 24 ASP 0.91 -0.20 1 25 GLN 0.74 -0.27 1 26 ALA 0.47 -0.35 1 27 ARG 0.46 -0.29 1 28 ASP 0.22 -0.12 1 30 THR 0.37 0.03 1 31 LEU -0.25 0.05 1 33 TYR 0.40 -0.46 1 34 THR -0.59 0.25 1 35 LYS 0.60 -0.35 1 36 ASP 2.42 1.27 1 37 ARG 4.47 -0.46 1 38 PHE 4.56 -0.40 1 39 TYR -2.26 2.03 1 40 LEU 5.07 -2.07 1 41 GLN -0.69 0.32 1 43 LEU -4.21 2.80 1 46 THR 6.60 -1.92 1 47 GLU 2.46 0.34 1 48 ALA 3.69 -1.01 1 49 ALA 4.12 -1.27 1 50 GLN 4.13 -1.67 1 51 ARG 6.07 -1.66 1 52 ALA 3.49 -1.74 1 53 LYS 5.20 -0.98 1 54 VAL 6.31 -1.78 1 55 SER 5.05 -1.32 1 56 ALA 4.01 -1.12 1 57 SER 4.73 -0.99 1 58 GLU -0.07 2.74 1 59 ILE 6.72 -2.26 1 60 LEU 4.53 -1.75 1 61 ASN 1.59 -0.65 1 62 VAL 2.24 -1.06 1 63 LYS 4.16 -1.72 1 64 GLN 4.74 -2.30 1 65 PHE 1.74 -0.48 1 66 ILE 5.62 -1.18 1 67 ASP 4.33 -1.29 1 68 ARG -0.92 0.29 1 71 TRP 6.77 -1.22 1 74 LEU -1.31 0.17 1 76 ASN 7.71 -2.09 1 77 ASP 3.16 0.88 1 78 LEU 2.42 0.82 1 79 ARG 4.31 -0.86 1 80 LEU 2.78 0.01 1 81 ARG 3.44 -1.53 1 82 ALA 3.39 -0.40 1 83 SER 4.73 -1.10 1 84 TYR -1.98 3.22 1 85 LEU 4.72 -0.68 1 86 ARG 5.11 -0.90 1 87 TYR -1.52 0.06 1 88 ASP 2.68 1.04 1 89 LEU 3.91 -0.22 1 90 LYS 5.26 -1.34 1 91 THR 6.29 -1.37 1 92 VAL 5.60 -0.59 1 93 ILE 5.87 -0.44 1 94 SER 4.07 -0.85 1 95 ALA -1.65 0.76 1 96 LYS -0.42 -0.38 1 98 LYS 4.90 -0.19 1 99 ASP 4.37 -1.36 1 100 GLU 0.19 1.20 1 101 LYS 4.66 -0.24 1 102 LYS 4.11 -0.63 1 103 SER 4.67 -1.27 1 104 LEU 3.33 -0.47 1 105 GLN 5.13 -1.24 1 106 GLU 3.40 -0.42 1 107 LEU 2.55 0.06 1 108 THR 8.20 -2.33 1 109 SER 4.94 -1.52 1 110 LYS 4.32 -0.70 1 111 LEU 4.04 -1.31 1 112 PHE 7.33 -2.39 1 113 SER 5.48 -1.66 1 114 SER 5.26 -0.62 1 115 ILE 6.12 -1.07 1 116 ASP 5.02 -1.52 1 117 ASN 5.33 -2.78 1 118 LEU 4.19 -1.52 1 119 ASP 2.99 0.75 1 120 HIS 5.83 0.01 1 121 ALA 3.56 -1.26 1 122 ALA 1.74 0.22 1 123 LYS 4.39 -1.03 1 124 ILE 1.56 -1.60 1 126 SER -3.49 0.22 1 128 THR 5.31 -1.96 1 129 GLU 1.63 0.50 1 130 ALA 3.92 -0.91 1 131 GLU 4.03 -0.45 1 132 LYS 3.75 -0.92 1 133 TYR 6.52 -1.84 1 134 TYR 6.18 -0.75 1 136 GLN 4.00 -0.61 1 137 THR 9.13 -2.61 1 138 VAL 6.50 -1.47 1 139 SER 4.77 -1.32 1 140 ASN 2.83 0.01 1 141 ILE 6.57 -2.48 1 142 ASN 4.99 -1.64 1 143 GLU 3.30 -0.26 1 144 VAL 6.07 -1.33 1 145 LEU 4.49 -1.43 1 146 ALA 3.40 -1.17 1 147 LYS -0.46 -0.38 1 148 LEU 0.92 -0.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25350_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.21 _LACS_plot.Line_1_terminator_val_y_1 0.21 _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 0.05 _LACS_plot.Line_2_terminator_val_x_2 9.12 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 TYR -1.98 -1.26 0 13 LEU 0.51 -0.02 1 14 SER 0.36 -0.04 1 17 LEU 0.40 -0.11 1 20 THR 0.05 0.01 1 21 GLU 0.33 -0.07 1 22 ASN 0.23 0.00 1 23 SER 0.39 -0.06 1 24 ASP 0.91 -0.07 1 25 GLN 0.74 -0.10 1 26 ALA 0.47 -0.05 1 27 ARG 0.46 -0.05 1 28 ASP 0.22 -0.06 1 30 THR 0.37 -0.07 1 31 LEU -0.25 -0.07 1 33 TYR 0.40 0.01 1 34 THR -0.59 -0.09 1 35 LYS 0.60 -0.13 1 36 ASP 2.42 -0.18 1 37 ARG 4.47 -0.54 1 38 PHE 4.56 -0.52 1 39 TYR -2.26 -0.06 1 40 LEU 5.07 -0.26 1 43 LEU -4.21 0.27 1 46 THR 6.60 -0.36 1 47 GLU 2.46 -0.20 1 48 ALA 3.69 -0.33 1 49 ALA 4.12 -0.46 1 50 GLN 4.13 -0.26 1 51 ARG 6.07 -0.21 1 52 ALA 3.49 -0.12 1 53 LYS 5.20 -0.51 1 54 VAL 6.31 -0.38 1 55 SER 5.05 -0.28 1 56 ALA 4.01 -0.33 1 57 SER 4.73 -0.09 1 58 GLU -0.07 -0.19 1 59 ILE 6.72 -0.38 1 60 LEU 4.53 -0.16 1 61 ASN 1.59 0.14 1 62 VAL 2.24 0.36 1 63 LYS 4.16 -1.04 1 64 GLN 4.74 -0.27 1 65 PHE 1.74 -0.29 1 66 ILE 5.62 -0.91 1 67 ASP 4.33 -0.42 1 68 ARG -0.92 -0.08 1 69 LYS 5.02 -0.08 1 70 ALA -1.54 0.26 1 71 TRP 6.77 -0.53 1 74 LEU -1.31 -0.45 1 76 ASN 7.71 -0.26 1 77 ASP 3.16 -0.18 1 78 LEU 2.42 -0.33 1 79 ARG 4.31 -0.35 1 80 LEU 2.78 -0.42 1 81 ARG 3.44 -0.42 1 82 ALA 3.39 -0.14 1 83 SER 4.73 -0.22 1 85 LEU 4.72 -0.55 1 86 ARG 5.11 -0.50 1 87 TYR -1.52 -0.21 1 88 ASP 2.68 -0.20 1 89 LEU 3.91 -0.34 1 90 LYS 5.26 -0.34 1 91 THR 6.29 -0.51 1 92 VAL 5.60 -0.70 1 93 ILE 5.87 -0.79 1 94 SER 4.07 -0.27 1 95 ALA -1.65 0.24 1 96 LYS -0.42 -0.73 1 98 LYS 4.90 -0.48 1 99 ASP 4.37 -0.15 1 100 GLU 0.19 -0.02 1 101 LYS 4.66 -0.47 1 102 LYS 4.11 -0.20 1 103 SER 4.67 -0.16 1 104 LEU 3.33 -0.10 1 105 GLN 5.13 -0.27 1 106 GLU 3.40 -0.21 1 107 LEU 2.55 -0.19 1 108 THR 8.20 -0.05 1 109 SER 4.94 -0.32 1 110 LYS 4.32 -0.19 1 111 LEU 4.04 -0.25 1 112 PHE 7.33 -0.32 1 113 SER 5.48 0.00 1 114 SER 5.26 -0.18 1 115 ILE 6.12 -0.53 1 116 ASP 5.02 -0.20 1 117 ASN 5.33 -0.42 1 118 LEU 4.19 -0.10 1 119 ASP 2.99 -0.52 1 120 HIS 5.83 -0.61 1 121 ALA 3.56 -0.33 1 122 ALA 1.74 -0.45 1 123 LYS 4.39 -0.51 1 124 ILE 1.56 -0.04 1 125 LYS 3.94 -0.03 1 126 SER -3.49 0.32 1 128 THR 5.31 -0.21 1 129 GLU 1.63 -0.25 1 130 ALA 3.92 -0.26 1 131 GLU 4.03 -0.28 1 132 LYS 3.75 -0.28 1 133 TYR 6.52 -0.08 1 134 TYR 6.18 -0.37 1 136 GLN 4.00 -0.19 1 137 THR 9.13 -0.22 1 138 VAL 6.50 -0.93 1 139 SER 4.77 -0.28 1 140 ASN 2.83 -0.19 1 141 ILE 6.57 -0.62 1 142 ASN 4.99 -0.29 1 143 GLU 3.30 -0.21 1 144 VAL 6.07 -0.63 1 145 LEU 4.49 -0.42 1 146 ALA 3.40 -0.13 1 147 LYS -0.46 0.06 1 148 LEU 0.92 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25350_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.21 _LACS_plot.Line_1_terminator_val_y_1 -1.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.22 _LACS_plot.Line_2_terminator_val_x_2 9.12 _LACS_plot.Line_2_terminator_val_y_2 3.38 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 LYS 5.02 -2.46 0 39 TYR -2.26 3.64 0 13 LEU 0.51 0.07 1 14 SER 0.36 0.41 1 17 LEU 0.40 -0.23 1 20 THR 0.05 0.21 1 21 GLU 0.33 -0.30 1 22 ASN 0.23 0.21 1 23 SER 0.39 0.00 1 24 ASP 0.91 0.20 1 25 GLN 0.74 0.01 1 26 ALA 0.47 0.20 1 27 ARG 0.46 -0.04 1 28 ASP 0.22 0.57 1 30 THR 0.37 -0.15 1 31 LEU -0.25 -0.35 1 33 TYR 0.40 0.01 1 34 THR -0.59 -0.34 1 36 ASP 2.42 1.74 1 37 ARG 4.47 1.71 1 38 PHE 4.56 2.58 1 41 GLN -0.69 -0.57 1 43 LEU -4.21 -1.03 1 46 THR 6.60 1.97 1 47 GLU 2.46 2.69 1 48 ALA 3.69 1.37 1 49 ALA 4.12 0.99 1 50 GLN 4.13 2.78 1 51 ARG 6.07 2.40 1 52 ALA 3.49 1.66 1 53 LYS 5.20 3.14 1 54 VAL 6.31 3.08 1 55 SER 5.05 1.71 1 56 ALA 4.01 1.06 1 57 SER 4.73 2.72 1 58 GLU -0.07 4.07 1 59 ILE 6.72 1.17 1 60 LEU 4.53 2.97 1 61 ASN 1.59 1.30 1 62 VAL 2.24 0.70 1 63 LYS 4.16 0.62 1 64 GLN 4.74 1.28 1 65 PHE 1.74 2.13 1 66 ILE 5.62 -1.59 1 67 ASP 4.33 1.37 1 68 ARG -0.92 -1.61 1 70 ALA -1.54 -0.37 1 71 TRP 6.77 0.29 1 76 ASN 7.71 4.65 1 77 ASP 3.16 2.03 1 78 LEU 2.42 0.44 1 79 ARG 4.31 3.34 1 80 LEU 2.78 1.06 1 81 ARG 3.44 3.11 1 82 ALA 3.39 1.61 1 83 SER 4.73 5.19 1 84 TYR -1.98 -0.65 1 85 LEU 4.72 -0.26 1 86 ARG 5.11 1.76 1 87 TYR -1.52 1.70 1 88 ASP 2.68 1.96 1 89 LEU 3.91 0.47 1 90 LYS 5.26 3.07 1 91 THR 6.29 4.84 1 92 VAL 5.60 2.51 1 93 ILE 5.87 1.64 1 94 SER 4.07 -0.34 1 95 ALA -1.65 -0.01 1 96 LYS -0.42 -0.72 1 98 LYS 4.90 1.50 1 99 ASP 4.37 1.75 1 100 GLU 0.19 1.59 1 101 LYS 4.66 1.65 1 102 LYS 4.11 2.43 1 103 SER 4.67 3.07 1 104 LEU 3.33 2.28 1 105 GLN 5.13 2.83 1 106 GLU 3.40 3.03 1 107 LEU 2.55 2.06 1 108 THR 8.20 1.47 1 109 SER 4.94 2.84 1 110 LYS 4.32 2.28 1 111 LEU 4.04 0.32 1 112 PHE 7.33 2.17 1 113 SER 5.48 2.16 1 114 SER 5.26 1.72 1 115 ILE 6.12 3.13 1 116 ASP 5.02 3.37 1 117 ASN 5.33 2.13 1 118 LEU 4.19 -0.79 1 119 ASP 2.99 2.01 1 120 HIS 5.83 2.47 1 121 ALA 3.56 0.44 1 122 ALA 1.74 1.94 1 123 LYS 4.39 2.23 1 124 ILE 1.56 -1.56 1 125 LYS 3.94 -1.79 1 126 SER -3.49 0.38 1 128 THR 5.31 3.80 1 129 GLU 1.63 1.52 1 130 ALA 3.92 1.35 1 131 GLU 4.03 3.11 1 132 LYS 3.75 3.45 1 133 TYR 6.52 3.27 1 134 TYR 6.18 0.48 1 136 GLN 4.00 1.68 1 137 THR 9.13 2.61 1 138 VAL 6.50 1.42 1 139 SER 4.77 2.78 1 140 ASN 2.83 2.80 1 141 ILE 6.57 0.84 1 142 ASN 4.99 3.56 1 143 GLU 3.30 2.44 1 144 VAL 6.07 1.61 1 145 LEU 4.49 2.50 1 146 ALA 3.40 1.68 1 147 LYS -0.46 1.00 1 148 LEU 0.92 -0.60 1 stop_ save_