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 bmr16388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 -3.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.05 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 5.93 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 MET 1.58 -1.69 0 10 TYR -1.98 -2.61 1 12 TYR 3.05 0.31 1 13 SER 5.59 6.54 1 14 ASP 4.67 4.08 1 15 ARG 3.22 2.87 1 16 LEU 3.80 3.22 1 17 ALA 4.18 2.65 1 18 GLN 3.89 2.80 1 19 ALA 3.12 2.83 1 20 ILE 4.87 4.20 1 21 ILE 6.11 5.34 1 22 ASN 4.65 3.07 1 24 ILE 4.91 4.91 1 25 THR 5.00 4.32 1 26 LYS 4.06 3.35 1 27 THR 0.33 1.00 1 29 VAL -0.04 0.24 1 31 VAL -6.16 -3.05 1 32 ASP -4.62 -0.13 1 33 VAL -1.35 -0.74 1 34 VAL -3.01 -0.46 1 35 ASP -2.20 -2.94 1 36 LEU 0.42 0.58 1 38 ALA -3.55 -2.35 1 39 ALA 1.72 0.11 1 40 VAL -2.84 -1.32 1 41 ASP -1.58 -0.98 1 42 LEU 5.05 2.90 1 43 GLN 4.98 3.12 1 44 GLU 3.18 2.41 1 45 LEU 3.48 3.22 1 46 ARG 4.35 3.74 1 47 GLU 3.27 2.53 1 48 LEU 3.95 3.37 1 49 VAL 7.31 5.67 1 51 ARG -0.11 0.21 1 53 THR 2.57 2.17 1 55 LEU -4.00 -0.17 1 56 VAL -3.21 -1.69 1 57 ILE -5.33 -2.64 1 60 SER -2.14 -1.55 1 62 ALA 3.78 2.32 1 63 ALA 2.15 1.34 1 64 SER -0.96 -0.68 1 65 ALA 2.56 2.64 1 66 ALA 3.85 2.59 1 67 SER 2.32 1.76 1 68 ILE 0.94 1.26 1 69 GLN 5.36 3.72 1 71 ALA 3.59 2.66 1 72 LEU 4.34 3.29 1 74 THR 7.90 5.68 1 75 ILE 6.91 6.13 1 76 LEU 3.98 3.25 1 78 SER -0.31 1.18 1 79 VAL -2.52 -1.48 1 80 ASN -4.69 -0.71 1 81 GLU 3.00 1.76 1 82 LYS 2.15 0.47 1 83 GLN -2.28 0.05 1 84 ALA -5.17 -3.13 1 85 VAL -6.61 -4.60 1 87 ILE -3.73 -1.31 1 88 PHE -5.81 -2.60 1 89 GLU -2.33 -0.04 1 90 THR -0.48 2.52 1 94 ASP -4.75 -1.70 1 95 ASP 3.53 2.34 1 96 GLU 0.87 1.85 1 98 ILE 2.50 3.30 1 99 ASP 3.91 2.70 1 101 LEU 3.42 3.37 1 102 LEU 4.62 3.67 1 103 SER 4.86 3.97 1 104 LYS 5.37 5.16 1 105 PHE 4.53 3.77 1 106 ARG 3.53 2.59 1 107 ASN -0.07 0.76 1 108 LEU 3.41 4.04 1 110 LEU 1.01 1.73 1 111 THR 2.21 0.87 1 112 THR -1.97 0.62 1 113 ALA -0.88 -2.74 1 114 PHE 0.35 0.53 1 116 ALA 1.40 0.83 1 117 ILE -0.62 -1.05 1 118 ARG -2.20 -2.41 1 119 ILE 0.02 0.03 1 120 LYS -1.23 -0.36 1 121 GLN 0.74 1.12 1 122 THR -5.21 -2.41 1 124 THR 4.57 3.68 1 125 GLU 3.93 3.44 1 126 ASN 6.60 4.80 1 127 THR 6.37 4.22 1 128 TYR 4.79 3.58 1 129 LYS 3.90 3.10 1 130 LEU 3.84 3.34 1 132 GLU 3.65 3.02 1 133 GLU 5.94 2.57 1 134 ALA 5.50 4.49 1 136 THR 4.94 3.66 1 137 ASP 3.59 2.67 1 138 LEU 4.86 3.46 1 140 GLN 6.14 5.16 1 141 TRP 5.30 4.05 1 142 VAL 2.81 2.30 1 143 THR 3.36 2.33 1 144 ARG 1.43 1.71 1 145 ASP 1.89 1.27 1 146 ARG 1.23 0.97 1 147 LEU 0.17 0.32 1 148 GLU -0.34 1.10 1 149 HIS 1.34 2.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 3.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.95 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -1.97 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 MET 1.58 -3.27 0 10 TYR -1.98 -0.63 1 12 TYR 3.05 -2.74 1 13 SER 5.59 0.95 1 14 ASP 4.67 -0.59 1 15 ARG 3.22 -0.35 1 16 LEU 3.80 -0.58 1 17 ALA 4.18 -1.53 1 18 GLN 3.89 -1.09 1 19 ALA 3.12 -0.29 1 20 ILE 4.87 -0.67 1 21 ILE 6.11 -0.77 1 22 ASN 4.65 -1.58 1 24 ILE 4.91 0.00 1 25 THR 5.00 -0.68 1 26 LYS 4.06 -0.71 1 27 THR 0.33 0.67 1 29 VAL -0.04 0.28 1 31 VAL -6.16 3.11 1 32 ASP -4.62 4.49 1 33 VAL -1.35 0.61 1 34 VAL -3.01 2.55 1 35 ASP -2.20 -0.74 1 36 LEU 0.42 0.16 1 38 ALA -3.55 1.20 1 39 ALA 1.72 -1.61 1 40 VAL -2.84 1.52 1 41 ASP -1.58 0.60 1 42 LEU 5.05 -2.15 1 43 GLN 4.98 -1.86 1 44 GLU 3.18 -0.77 1 45 LEU 3.48 -0.26 1 46 ARG 4.35 -0.61 1 47 GLU 3.27 -0.74 1 48 LEU 3.95 -0.58 1 49 VAL 7.31 -1.64 1 51 ARG -0.11 0.32 1 53 THR 2.57 -0.40 1 55 LEU -4.00 3.83 1 56 VAL -3.21 1.52 1 57 ILE -5.33 2.69 1 60 SER -2.14 0.59 1 62 ALA 3.78 -1.46 1 63 ALA 2.15 -0.81 1 64 SER -0.96 0.28 1 65 ALA 2.56 0.08 1 66 ALA 3.85 -1.26 1 67 SER 2.32 -0.56 1 68 ILE 0.94 0.32 1 69 GLN 5.36 -1.64 1 71 ALA 3.59 -0.93 1 72 LEU 4.34 -1.05 1 74 THR 7.90 -2.22 1 75 ILE 6.91 -0.78 1 76 LEU 3.98 -0.73 1 78 SER -0.31 1.49 1 79 VAL -2.52 1.04 1 80 ASN -4.69 3.98 1 81 GLU 3.00 -1.24 1 82 LYS 2.15 -1.68 1 83 GLN -2.28 2.33 1 84 ALA -5.17 2.04 1 85 VAL -6.61 2.01 1 87 ILE -3.73 2.42 1 88 PHE -5.81 3.21 1 89 GLU -2.33 2.29 1 90 THR -0.48 3.00 1 94 ASP -4.75 3.05 1 95 ASP 3.53 -1.19 1 96 GLU 0.87 0.98 1 98 ILE 2.50 0.80 1 99 ASP 3.91 -1.21 1 101 LEU 3.42 -0.05 1 102 LEU 4.62 -0.95 1 103 SER 4.86 -0.89 1 104 LYS 5.37 -0.21 1 105 PHE 4.53 -0.76 1 106 ARG 3.53 -0.94 1 107 ASN -0.07 0.83 1 108 LEU 3.41 0.63 1 110 LEU 1.01 0.72 1 111 THR 2.21 -1.34 1 112 THR -1.97 2.59 1 113 ALA -0.88 -1.86 1 114 PHE 0.35 0.18 1 116 ALA 1.40 -0.57 1 117 ILE -0.62 -0.43 1 118 ARG -2.20 -0.21 1 119 ILE 0.02 0.01 1 120 LYS -1.23 0.87 1 121 GLN 0.74 0.38 1 122 THR -5.21 2.80 1 124 THR 4.57 -0.89 1 125 GLU 3.93 -0.49 1 126 ASN 6.60 -1.80 1 127 THR 6.37 -2.15 1 128 TYR 4.79 -1.21 1 129 LYS 3.90 -0.80 1 130 LEU 3.84 -0.50 1 132 GLU 3.65 -0.63 1 133 GLU 5.94 -3.37 1 134 ALA 5.50 -1.01 1 136 THR 4.94 -1.28 1 137 ASP 3.59 -0.92 1 138 LEU 4.86 -1.40 1 140 GLN 6.14 -0.98 1 141 TRP 5.30 -1.25 1 142 VAL 2.81 -0.51 1 143 THR 3.36 -1.03 1 144 ARG 1.43 0.28 1 145 ASP 1.89 -0.62 1 146 ARG 1.23 -0.26 1 147 LEU 0.17 0.15 1 148 GLU -0.34 1.44 1 149 HIS 1.34 1.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 ILE -3.73 1.52 0 112 THR -1.97 -0.74 0 10 TYR -1.98 0.64 1 12 TYR 3.05 0.21 1 13 SER 5.59 -0.09 1 14 ASP 4.67 -0.44 1 15 ARG 3.22 -0.40 1 16 LEU 3.80 -0.33 1 17 ALA 4.18 -1.06 1 18 GLN 3.89 -0.60 1 19 ALA 3.12 -0.11 1 20 ILE 4.87 -0.50 1 21 ILE 6.11 -0.75 1 22 ASN 4.65 -0.34 1 24 ILE 4.91 -0.71 1 25 THR 5.00 -0.14 1 26 LYS 4.06 -0.13 1 27 THR 0.33 0.13 1 29 VAL -0.04 -0.22 1 31 VAL -6.16 1.31 1 32 ASP -4.62 0.30 1 33 VAL -1.35 0.66 1 34 VAL -3.01 -0.04 1 35 ASP -2.20 0.30 1 36 LEU 0.42 -0.31 1 38 ALA -3.55 0.25 1 39 ALA 1.72 0.01 1 40 VAL -2.84 0.05 1 41 ASP -1.58 0.05 1 42 LEU 5.05 -0.35 1 43 GLN 4.98 -0.22 1 44 GLU 3.18 -0.33 1 45 LEU 3.48 -0.18 1 46 ARG 4.35 -0.53 1 47 GLU 3.27 -0.39 1 48 LEU 3.95 -0.27 1 49 VAL 7.31 -0.53 1 51 ARG -0.11 0.32 1 53 THR 2.57 0.34 1 55 LEU -4.00 1.43 1 56 VAL -3.21 1.03 1 57 ILE -5.33 1.27 1 59 MET 1.58 0.07 1 60 SER -2.14 0.02 1 62 ALA 3.78 -0.19 1 63 ALA 2.15 -0.09 1 64 SER -0.96 0.25 1 65 ALA 2.56 -0.17 1 66 ALA 3.85 -0.19 1 67 SER 2.32 -0.01 1 68 ILE 0.94 -0.01 1 69 GLN 5.36 -0.40 1 71 ALA 3.59 -0.42 1 72 LEU 4.34 -0.41 1 74 THR 7.90 -0.43 1 75 ILE 6.91 -0.79 1 76 LEU 3.98 -0.62 1 78 SER -0.31 0.36 1 79 VAL -2.52 0.73 1 80 ASN -4.69 0.29 1 81 GLU 3.00 -0.35 1 82 LYS 2.15 0.19 1 83 GLN -2.28 0.54 1 84 ALA -5.17 0.76 1 85 VAL -6.61 1.50 1 88 PHE -5.81 1.03 1 89 GLU -2.33 -0.10 1 90 THR -0.48 0.15 1 94 ASP -4.75 0.56 1 95 ASP 3.53 -0.08 1 96 GLU 0.87 -0.14 1 98 ILE 2.50 0.07 1 99 ASP 3.91 -0.16 1 101 LEU 3.42 -0.30 1 102 LEU 4.62 -0.46 1 103 SER 4.86 -0.35 1 104 LYS 5.37 -0.38 1 105 PHE 4.53 -0.18 1 106 ARG 3.53 -0.23 1 107 ASN -0.07 -0.04 1 108 LEU 3.41 0.04 1 110 LEU 1.01 -0.26 1 111 THR 2.21 -0.39 1 113 ALA -0.88 0.01 1 114 PHE 0.35 0.30 1 116 ALA 1.40 -0.13 1 117 ILE -0.62 0.32 1 118 ARG -2.20 0.12 1 119 ILE 0.02 0.12 1 120 LYS -1.23 0.15 1 121 GLN 0.74 -0.58 1 122 THR -5.21 0.30 1 124 THR 4.57 -0.08 1 125 GLU 3.93 -0.30 1 126 ASN 6.60 -0.61 1 127 THR 6.37 -0.43 1 128 TYR 4.79 -0.18 1 129 LYS 3.90 -0.28 1 130 LEU 3.84 -0.29 1 132 GLU 3.65 -0.51 1 133 GLU 5.94 -0.53 1 134 ALA 5.50 -0.47 1 136 THR 4.94 -0.19 1 137 ASP 3.59 0.24 1 138 LEU 4.86 -0.12 1 140 GLN 6.14 -0.47 1 141 TRP 5.30 -0.55 1 142 VAL 2.81 -0.24 1 143 THR 3.36 -0.24 1 144 ARG 1.43 -0.32 1 145 ASP 1.89 -0.20 1 146 ARG 1.23 -0.13 1 147 LEU 0.17 -0.22 1 148 GLU -0.34 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 -5.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.63 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 0.40 _LACS_plot.Y_axis_chem_shift_offset 2.79 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 THR -0.48 1.10 0 10 TYR -1.98 -2.04 1 12 TYR 3.05 -3.13 1 13 SER 5.59 -3.58 1 14 ASP 4.67 -1.06 1 16 LEU 3.80 -2.73 1 17 ALA 4.18 -1.15 1 18 GLN 3.89 -1.35 1 19 ALA 3.12 -1.42 1 20 ILE 4.87 0.25 1 21 ILE 6.11 -1.07 1 22 ASN 4.65 0.58 1 24 ILE 4.91 1.48 1 25 THR 5.00 0.55 1 26 LYS 4.06 -1.66 1 27 THR 0.33 -1.76 1 29 VAL -0.04 -4.29 1 31 VAL -6.16 -3.81 1 33 VAL -1.35 -3.10 1 34 VAL -3.01 -5.85 1 35 ASP -2.20 -1.39 1 36 LEU 0.42 -3.40 1 38 ALA -3.55 -4.82 1 39 ALA 1.72 -2.88 1 40 VAL -2.84 -4.40 1 41 ASP -1.58 -2.13 1 42 LEU 5.05 -0.95 1 44 GLU 3.18 0.50 1 45 LEU 3.48 -3.27 1 46 ARG 4.35 0.29 1 47 GLU 3.27 -0.46 1 49 VAL 7.31 -0.61 1 51 ARG -0.11 -1.61 1 55 LEU -4.00 -6.06 1 56 VAL -3.21 -4.71 1 57 ILE -5.33 -5.72 1 59 MET 1.58 -4.69 1 62 ALA 3.78 0.18 1 63 ALA 2.15 -1.59 1 64 SER -0.96 -3.12 1 65 ALA 2.56 -1.27 1 66 ALA 3.85 -0.32 1 67 SER 2.32 -1.53 1 68 ILE 0.94 -2.70 1 69 GLN 5.36 -0.37 1 71 ALA 3.59 -1.32 1 72 LEU 4.34 -1.45 1 74 THR 7.90 -0.75 1 75 ILE 6.91 -1.45 1 76 LEU 3.98 -2.06 1 78 SER -0.31 -3.46 1 79 VAL -2.52 -3.40 1 80 ASN -4.69 -4.04 1 81 GLU 3.00 -4.04 1 82 LYS 2.15 -1.42 1 83 GLN -2.28 -4.15 1 84 ALA -5.17 -4.83 1 85 VAL -6.61 -5.63 1 87 ILE -3.73 -5.08 1 88 PHE -5.81 -4.20 1 89 GLU -2.33 -3.42 1 94 ASP -4.75 -3.55 1 95 ASP 3.53 0.61 1 98 ILE 2.50 -2.65 1 101 LEU 3.91 -2.05 1 102 LEU 3.42 0.52 1 103 SER 4.62 -1.26 1 104 LYS 4.86 0.48 1 105 PHE 5.37 -0.51 1 106 ARG 4.53 2.23 1 107 ASN 3.53 -0.97 1 108 LEU -0.07 -3.55 1 110 LEU 3.41 -1.84 1 111 THR 1.01 -3.80 1 112 THR 2.21 -3.49 1 113 ALA -1.97 -4.78 1 116 ALA 0.35 -2.11 1 117 ILE 1.40 -4.94 1 118 ARG -0.62 -2.76 1 119 ILE -2.20 -4.39 1 121 GLN -1.23 -5.14 1 124 THR -5.21 -2.57 1 125 GLU 4.57 -0.02 1 126 ASN 3.93 -0.87 1 127 THR 6.60 -0.74 1 128 TYR 6.37 -0.34 1 129 LYS 4.79 -0.90 1 130 LEU 3.90 0.12 1 132 GLU 3.84 -0.02 1 133 GLU 3.65 -1.16 1 136 THR 5.50 -1.61 1 137 ASP 4.94 0.98 1 138 LEU 3.59 -1.88 1 141 TRP 6.14 0.47 1 142 VAL 5.30 -1.08 1 143 THR 2.81 -1.94 1 144 ARG 3.36 -2.06 1 145 ASP 1.43 -1.93 1 146 ARG 1.89 -1.89 1 147 LEU 1.23 -2.42 1 148 GLU 0.17 -2.79 1 149 HIS -0.34 -2.97 1 stop_ save_