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 bmr17045_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.49 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 5.30 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 SER -3.63 -1.62 0 77 THR -4.49 -3.19 0 108 THR -4.49 -3.19 0 83 TYR -2.61 -0.08 0 10 ALA 3.59 2.74 1 11 VAL 5.29 4.09 1 12 SER 5.50 4.15 1 13 ARG 4.69 3.57 1 14 ALA 2.15 2.74 1 15 LEU 3.16 3.03 1 16 GLN 5.41 3.39 1 17 GLN 4.93 3.39 1 20 GLN 5.41 3.39 1 21 LEU 1.72 2.55 1 22 GLN 3.48 1.46 1 23 LYS 4.29 3.37 1 24 LEU 4.11 2.06 1 25 ILE 5.56 4.71 1 26 ASP 5.16 3.93 1 27 ILE 3.64 3.75 1 28 SER 5.02 5.59 1 29 ILE 7.00 4.71 1 31 SER 4.06 3.19 1 32 LEU 2.68 3.03 1 33 ARG 4.21 3.57 1 35 LEU 2.68 3.03 1 36 ARG 3.25 3.57 1 37 THR 1.27 1.61 1 38 LYS 0.92 0.96 1 40 SER -0.26 -0.17 1 41 VAL 0.49 0.25 1 42 SER 0.22 -0.17 1 43 ASN 0.21 0.22 1 44 ASP 2.27 2.00 1 45 LEU 4.12 3.03 1 46 THR 5.11 4.01 1 47 GLN 4.93 3.39 1 48 GLN 4.45 3.39 1 49 GLU 3.57 2.97 1 50 ILE 6.04 5.19 1 51 ARG 4.69 3.57 1 52 THR 5.59 4.49 1 53 LEU 2.68 3.03 1 54 GLU 4.53 3.93 1 55 ALA 4.07 2.74 1 56 LYS 4.29 3.37 1 57 LEU 4.12 3.99 1 58 VAL 6.25 5.05 1 59 LYS 5.25 3.85 1 60 TYR 1.56 0.71 1 61 ILE 4.60 3.27 1 63 LYS 3.81 2.89 1 64 GLN 3.49 3.87 1 65 GLN 6.37 3.87 1 66 GLN 3.97 3.87 1 67 SER 4.54 4.15 1 68 LYS 5.73 3.85 1 69 LEU 1.71 0.62 1 70 SER 2.14 1.75 1 71 VAL -1.91 -1.67 1 72 THR 1.83 1.69 1 74 SER 3.58 2.23 1 75 ASP -1.09 -0.40 1 76 ARG 2.77 2.61 1 78 ALA 4.55 3.22 1 79 GLU 3.57 2.97 1 80 LEU 3.64 3.03 1 81 ASN 1.65 1.18 1 82 SER 2.14 1.75 1 85 ARG 1.80 0.68 1 86 PHE 2.08 1.39 1 87 SER 6.94 3.67 1 88 ASP 4.20 3.45 1 89 TRP 5.25 5.43 1 90 LEU 2.68 2.55 1 91 TYR 4.92 4.55 1 92 ILE 7.00 5.67 1 93 PHE 4.48 2.35 1 94 ASN 1.65 -0.26 1 95 VAL 2.41 0.73 1 96 ARG 2.62 1.72 1 98 GLU 5.01 3.45 1 99 VAL 3.37 2.17 1 100 VAL 5.77 4.09 1 101 GLN 3.01 1.95 1 102 GLU -1.24 -0.88 1 103 ILE 2.58 1.35 1 105 GLN 3.49 2.43 1 106 GLU 1.64 0.56 1 107 LEU 0.75 0.62 1 109 LEU 3.63 2.06 1 110 ASP 3.24 3.45 1 111 ALA 2.63 2.26 1 112 LEU 2.68 2.55 1 113 LEU 2.68 2.55 1 114 GLU -0.28 0.08 1 115 MET -0.40 0.80 1 116 ASP -1.09 0.08 1 117 GLU 4.53 4.41 1 118 ALA 3.59 2.74 1 119 LYS 2.85 1.93 1 120 ALA 4.55 3.22 1 121 LYS 5.25 4.33 1 122 GLU 2.61 2.01 1 123 MET 4.89 2.73 1 124 LEU 3.64 3.03 1 125 ARG 4.21 2.61 1 126 ARG 4.69 3.09 1 127 TRP -1.00 -1.78 1 129 ALA 0.23 -0.14 1 131 THR 6.55 4.97 1 132 GLU 4.53 3.45 1 133 GLU 3.09 3.45 1 135 SER 4.54 3.19 1 136 ARG 4.21 3.57 1 137 LEU 3.64 2.55 1 138 GLN 4.93 4.83 1 139 GLN 4.45 2.91 1 140 ALA 3.11 2.26 1 141 LEU 4.12 3.03 1 142 THR 6.55 4.97 1 144 LEU 1.71 2.06 1 145 ARG 3.25 3.09 1 146 LYS 0.92 0.48 1 147 VAL 2.89 1.69 1 148 THR -2.09 -1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17045_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.49 _LACS_plot.Line_1_terminator_val_y_1 1.67 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.66 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 SER -3.63 2.01 0 77 THR -4.49 1.30 0 108 THR -4.49 1.30 0 83 TYR -2.61 2.53 0 10 ALA 3.59 -0.85 1 11 VAL 5.29 -1.20 1 12 SER 5.50 -1.35 1 13 ARG 4.69 -1.12 1 14 ALA 2.15 0.59 1 15 LEU 3.16 -0.13 1 16 GLN 5.41 -2.02 1 17 GLN 4.93 -1.54 1 20 GLN 5.41 -2.02 1 21 LEU 1.72 0.83 1 22 GLN 3.48 -2.02 1 23 LYS 4.29 -0.92 1 24 LEU 4.11 -2.05 1 25 ILE 5.56 -0.85 1 26 ASP 5.16 -1.23 1 27 ILE 3.64 0.11 1 28 SER 5.02 0.57 1 29 ILE 7.00 -2.29 1 31 SER 4.06 -0.87 1 32 LEU 2.68 0.35 1 33 ARG 4.21 -0.64 1 35 LEU 2.68 0.35 1 36 ARG 3.25 0.32 1 37 THR 1.27 0.34 1 38 LYS 0.92 0.04 1 40 SER -0.26 0.09 1 41 VAL 0.49 -0.24 1 42 SER 0.22 -0.39 1 43 ASN 0.21 0.01 1 44 ASP 2.27 -0.27 1 45 LEU 4.12 -1.09 1 46 THR 5.11 -1.10 1 47 GLN 4.93 -1.54 1 48 GLN 4.45 -1.06 1 49 GLU 3.57 -0.60 1 50 ILE 6.04 -0.85 1 51 ARG 4.69 -1.12 1 52 THR 5.59 -1.10 1 53 LEU 2.68 0.35 1 54 GLU 4.53 -0.60 1 55 ALA 4.07 -1.33 1 56 LYS 4.29 -0.92 1 57 LEU 4.12 -0.13 1 58 VAL 6.25 -1.20 1 59 LYS 5.25 -1.40 1 60 TYR 1.56 -0.85 1 61 ILE 4.60 -1.33 1 63 LYS 3.81 -0.92 1 64 GLN 3.49 0.38 1 65 GLN 6.37 -2.50 1 66 GLN 3.97 -0.10 1 67 SER 4.54 -0.39 1 68 LYS 5.73 -1.88 1 69 LEU 1.71 -1.09 1 70 SER 2.14 -0.39 1 71 VAL -1.91 0.24 1 72 THR 1.83 -0.14 1 74 SER 3.58 -1.35 1 75 ASP -1.09 0.69 1 76 ARG 2.77 -0.16 1 78 ALA 4.55 -1.33 1 79 GLU 3.57 -0.60 1 80 LEU 3.64 -0.61 1 81 ASN 1.65 -0.47 1 82 SER 2.14 -0.39 1 85 ARG 1.80 -1.12 1 86 PHE 2.08 -0.69 1 87 SER 6.94 -3.27 1 88 ASP 4.20 -0.75 1 89 TRP 5.25 0.18 1 90 LEU 2.68 -0.13 1 91 TYR 4.92 -0.37 1 92 ILE 7.00 -1.33 1 93 PHE 4.48 -2.13 1 94 ASN 1.65 -1.91 1 95 VAL 2.41 -1.68 1 96 ARG 2.62 -0.90 1 98 GLU 5.01 -1.56 1 99 VAL 3.37 -1.20 1 100 VAL 5.77 -1.68 1 101 GLN 3.01 -1.06 1 102 GLU -1.24 0.36 1 103 ILE 2.58 -1.23 1 105 GLN 3.49 -1.06 1 106 GLU 1.64 -1.08 1 107 LEU 0.75 -0.13 1 109 LEU 3.63 -1.57 1 110 ASP 3.24 0.21 1 111 ALA 2.63 -0.37 1 112 LEU 2.68 -0.13 1 113 LEU 2.68 -0.13 1 114 GLU -0.28 0.36 1 115 MET -0.40 1.20 1 116 ASP -1.09 1.17 1 117 GLU 4.53 -0.12 1 118 ALA 3.59 -0.85 1 119 LYS 2.85 -0.92 1 120 ALA 4.55 -1.33 1 121 LYS 5.25 -0.92 1 122 GLU 2.61 -0.60 1 123 MET 4.89 -2.16 1 124 LEU 3.64 -0.61 1 125 ARG 4.21 -1.60 1 126 ARG 4.69 -1.60 1 127 TRP -1.00 -0.78 1 129 ALA 0.23 -0.37 1 131 THR 6.55 -1.58 1 132 GLU 4.53 -1.08 1 133 GLU 3.09 0.36 1 135 SER 4.54 -1.35 1 136 ARG 4.21 -0.64 1 137 LEU 3.64 -1.09 1 138 GLN 4.93 -0.10 1 139 GLN 4.45 -1.54 1 140 ALA 3.11 -0.85 1 141 LEU 4.12 -1.09 1 142 THR 6.55 -1.58 1 144 LEU 1.71 0.35 1 145 ARG 3.25 -0.16 1 146 LYS 0.92 -0.44 1 147 VAL 2.89 -1.20 1 148 THR -2.09 0.82 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17045_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.49 _LACS_plot.Line_1_terminator_val_y_1 0.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.01 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ILE 2.58 -1.72 0 10 ALA 3.59 -0.24 1 11 VAL 5.29 -0.48 1 12 SER 5.50 -0.54 1 13 ARG 4.69 -0.28 1 14 ALA 2.15 -0.19 1 15 LEU 3.16 -0.56 1 16 GLN 5.41 -0.31 1 17 GLN 4.93 -0.31 1 20 GLN 5.41 -0.30 1 21 LEU 1.72 -0.56 1 22 GLN 3.48 -0.61 1 23 LYS 4.29 -0.20 1 24 LEU 4.11 -0.37 1 25 ILE 5.56 -0.58 1 26 ASP 5.16 -0.32 1 27 ILE 3.64 -0.32 1 28 SER 5.02 -0.63 1 29 ILE 7.00 -0.38 1 31 SER 4.06 -0.16 1 32 LEU 2.68 -0.35 1 33 ARG 4.21 -0.05 1 35 LEU 2.68 -0.23 1 36 ARG 3.25 -0.32 1 37 THR 1.27 -0.02 1 38 LYS 0.92 0.04 1 40 SER -0.26 0.06 1 41 VAL 0.49 0.02 1 42 SER 0.22 -0.07 1 43 ASN 0.21 -0.05 1 44 ASP 2.27 -0.26 1 45 LEU 4.12 -0.18 1 46 THR 5.11 -0.40 1 47 GLN 4.93 -0.40 1 48 GLN 4.45 -0.33 1 49 GLU 3.57 -0.31 1 50 ILE 6.04 -0.75 1 51 ARG 4.69 -0.23 1 52 THR 5.59 -0.42 1 53 LEU 2.68 -0.30 1 54 GLU 4.53 -0.76 1 55 ALA 4.07 -0.29 1 56 LYS 4.29 -0.68 1 57 LEU 4.12 -0.45 1 58 VAL 6.25 -0.50 1 59 LYS 5.25 -0.31 1 60 TYR 1.56 0.00 1 61 ILE 4.60 0.07 1 63 LYS 3.81 -0.11 1 64 GLN 3.49 -0.33 1 65 GLN 6.37 -0.24 1 66 GLN 3.97 -0.71 1 67 SER 4.54 -0.38 1 68 LYS 5.73 -0.55 1 69 LEU 1.71 -0.17 1 70 SER 2.14 -0.21 1 71 VAL -1.91 0.01 1 72 THR 1.83 -0.19 1 74 SER 3.58 -0.33 1 75 ASP -1.09 0.11 1 76 ARG 2.77 -0.53 1 77 THR -4.49 0.22 1 78 ALA 4.55 -0.23 1 79 GLU 3.57 -0.44 1 80 LEU 3.64 -0.05 1 81 ASN 1.65 -0.05 1 82 SER 2.14 -0.26 1 83 TYR -2.61 -0.23 1 85 ARG 1.80 0.15 1 86 PHE 2.08 -0.15 1 87 SER 6.94 -0.61 1 88 ASP 4.20 -0.10 1 89 TRP 5.25 -0.55 1 90 LEU 2.68 -0.68 1 91 TYR 4.92 -0.30 1 92 ILE 7.00 -1.27 1 93 PHE 4.48 -0.62 1 94 ASN 1.65 -0.71 1 95 VAL 2.41 -0.34 1 96 ARG 2.62 -0.30 1 98 GLU 5.01 -0.31 1 99 VAL 3.37 -0.09 1 100 VAL 5.77 -0.94 1 101 GLN 3.01 -0.37 1 102 GLU -1.24 -0.23 1 105 GLN 3.49 -0.42 1 106 GLU 1.64 -0.21 1 107 LEU 0.75 -0.18 1 108 THR -4.49 0.13 1 109 LEU 3.63 -0.99 1 110 ASP 3.24 -0.52 1 111 ALA 2.63 -0.33 1 112 LEU 2.68 -0.20 1 113 LEU 2.68 -0.54 1 114 GLU -0.28 -0.25 1 115 MET -0.40 -0.34 1 116 ASP -1.09 -0.22 1 117 GLU 4.53 -0.48 1 118 ALA 3.59 -0.24 1 119 LYS 2.85 -0.31 1 120 ALA 4.55 -0.41 1 121 LYS 5.25 -0.67 1 122 GLU 2.61 -0.47 1 123 MET 4.89 -0.95 1 124 LEU 3.64 -0.79 1 125 ARG 4.21 -0.28 1 126 ARG 4.69 -0.36 1 127 TRP -1.00 0.07 1 129 ALA 0.23 0.15 1 130 SER -3.63 0.08 1 131 THR 6.55 -0.52 1 132 GLU 4.53 -0.26 1 133 GLU 3.09 -0.49 1 135 SER 4.54 -0.57 1 136 ARG 4.21 -0.28 1 137 LEU 3.64 -0.61 1 138 GLN 4.93 -0.28 1 139 GLN 4.45 -0.26 1 140 ALA 3.11 -0.29 1 141 LEU 4.12 -0.30 1 142 THR 6.55 -0.52 1 144 LEU 1.71 -0.10 1 145 ARG 3.25 -0.44 1 146 LYS 0.92 -0.19 1 147 VAL 2.89 -0.22 1 148 THR -2.09 0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17045_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.49 _LACS_plot.Line_1_terminator_val_y_1 -1.30 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.14 _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 7.00 _LACS_plot.Line_2_terminator_val_y_2 2.70 _LACS_plot.Y_axis_chem_shift_offset -0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 SER -3.63 1.14 0 108 THR -4.49 -0.47 0 77 THR -4.49 -0.11 0 10 ALA 3.59 3.03 1 11 VAL 5.29 0.89 1 12 SER 5.50 2.84 1 13 ARG 4.69 2.26 1 14 ALA 2.15 2.46 1 15 LEU 3.16 2.96 1 16 GLN 5.41 3.13 1 17 GLN 4.93 3.59 1 20 GLN 5.41 3.77 1 21 LEU 1.72 0.73 1 22 GLN 3.48 1.12 1 23 LYS 4.29 2.76 1 24 LEU 4.11 3.25 1 25 ILE 5.56 0.63 1 26 ASP 5.16 4.51 1 27 ILE 3.64 2.84 1 28 SER 5.02 1.51 1 29 ILE 7.00 1.46 1 31 SER 4.06 1.96 1 32 LEU 2.68 0.07 1 33 ARG 4.21 4.09 1 35 LEU 2.68 1.86 1 36 ARG 3.25 1.86 1 37 THR 1.27 0.56 1 40 SER -0.26 0.24 1 41 VAL 0.49 -0.50 1 42 SER 0.22 -0.21 1 44 ASP 2.27 1.61 1 45 LEU 4.12 2.11 1 46 THR 5.11 1.64 1 47 GLN 4.93 2.65 1 48 GLN 4.45 2.56 1 49 GLU 3.57 3.08 1 50 ILE 6.04 0.81 1 51 ARG 4.69 3.98 1 52 THR 5.59 1.96 1 53 LEU 2.68 1.38 1 54 GLU 4.53 1.36 1 55 ALA 4.07 3.25 1 56 LYS 4.29 1.00 1 57 LEU 4.12 1.15 1 58 VAL 6.25 2.04 1 59 LYS 5.25 3.44 1 60 TYR 1.56 3.32 1 61 ILE 4.60 2.91 1 63 LYS 3.81 3.56 1 64 GLN 3.49 1.40 1 65 GLN 6.37 1.27 1 66 GLN 3.97 1.98 1 67 SER 4.54 3.06 1 68 LYS 5.73 0.22 1 69 LEU 1.71 0.48 1 70 SER 2.14 -0.96 1 71 VAL -1.91 -1.12 1 72 THR 1.83 1.20 1 74 SER 3.58 0.32 1 75 ASP -1.09 -0.02 1 76 ARG 2.77 -0.68 1 78 ALA 4.55 2.84 1 79 GLU 3.57 3.01 1 80 LEU 3.64 -1.01 1 81 ASN 1.65 0.88 1 82 SER 2.14 -2.47 1 83 TYR -2.61 0.30 1 85 ARG 1.80 1.97 1 86 PHE 2.08 1.87 1 87 SER 6.94 2.73 1 88 ASP 4.20 0.69 1 89 TRP 5.25 1.02 1 90 LEU 2.68 1.24 1 91 TYR 4.92 4.40 1 92 ILE 7.00 0.29 1 93 PHE 4.48 -1.98 1 94 ASN 1.65 -1.16 1 95 VAL 2.41 -0.18 1 96 ARG 2.62 1.60 1 98 GLU 5.01 1.73 1 99 VAL 3.37 1.06 1 100 VAL 5.77 2.37 1 101 GLN 3.01 0.50 1 102 GLU -1.24 -0.56 1 103 ILE 2.58 -0.04 1 105 GLN 3.49 0.85 1 106 GLU 1.64 0.17 1 107 LEU 0.75 -2.13 1 109 LEU 3.63 0.68 1 110 ASP 3.24 1.44 1 111 ALA 2.63 3.14 1 112 LEU 2.68 1.18 1 113 LEU 2.68 0.58 1 114 GLU -0.28 0.24 1 115 MET -0.40 0.04 1 116 ASP -1.09 0.33 1 117 GLU 4.53 1.91 1 118 ALA 3.59 3.06 1 119 LYS 2.85 2.34 1 120 ALA 4.55 1.02 1 121 LYS 5.25 1.21 1 122 GLU 2.61 2.40 1 123 MET 4.89 -0.20 1 124 LEU 3.64 1.79 1 125 ARG 4.21 4.83 1 126 ARG 4.69 2.78 1 127 TRP -1.00 -0.98 1 129 ALA 0.23 -0.08 1 131 THR 6.55 2.46 1 132 GLU 4.53 2.85 1 133 GLU 3.09 2.28 1 135 SER 4.54 2.52 1 136 ARG 4.21 3.36 1 137 LEU 3.64 1.39 1 138 GLN 4.93 3.63 1 139 GLN 4.45 2.55 1 140 ALA 3.11 3.42 1 141 LEU 4.12 0.93 1 142 THR 6.55 1.17 1 144 LEU 1.71 1.56 1 145 ARG 3.25 0.70 1 146 LYS 0.92 0.54 1 147 VAL 2.89 -0.60 1 148 THR -2.09 -0.68 1 stop_ save_