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 bmr6840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 -3.80 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 5.10 _LACS_plot.Line_2_terminator_val_y_2 3.60 _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 16 ILE 3.90 -1.30 0 10 GLU -1.80 -1.60 1 11 SER 0.00 -1.60 1 12 LEU -2.20 -1.50 1 13 TYR -5.10 -1.10 1 14 LEU -1.70 -0.30 1 15 TRP -0.90 -0.90 1 17 ASP -1.40 0.00 1 18 ALA 2.20 2.80 1 19 HIS 5.10 3.70 1 20 GLN 1.60 1.30 1 21 ALA 3.20 3.50 1 22 ARG 5.10 3.60 1 23 VAL 2.90 2.30 1 24 LEU -0.30 2.20 1 25 ILE -3.00 -0.80 1 27 PHE -3.80 -1.60 1 28 GLU -0.80 -1.70 1 29 GLU -4.70 -2.10 1 30 ASP 0.90 0.40 1 31 ILE -2.30 -1.10 1 32 LEU 1.10 0.50 1 33 ILE 1.30 1.50 1 34 VAL -3.40 -1.70 1 35 SER -3.00 -2.00 1 36 GLU 0.10 1.60 1 38 LYS -3.10 -1.90 1 43 THR 2.10 1.50 1 47 ARG 2.00 1.30 1 48 LYS 1.70 1.10 1 49 ALA 0.90 0.60 1 50 GLN 2.20 1.00 1 51 GLN 1.00 2.00 1 55 ALA -1.30 -1.10 1 56 ILE -0.00 1.20 1 58 VAL 3.10 2.40 1 59 ASN 2.30 0.50 1 60 ILE 0.20 -1.60 1 61 HIS -0.30 0.50 1 62 SER -2.60 -1.60 1 63 MET 2.30 -0.80 1 64 ASN -0.30 -1.40 1 65 PHE -0.90 -0.80 1 66 THR -2.20 -0.40 1 67 TRP -8.20 -4.80 1 68 GLN -3.20 0.60 1 69 ALA -0.80 -1.50 1 70 ALA -0.30 0.40 1 72 GLN 0.40 0.40 1 73 ALA -0.90 -0.20 1 74 GLU -4.60 -3.00 1 75 TYR -0.50 -1.30 1 76 PHE -3.10 -1.50 1 77 TYR -0.60 -2.90 1 78 GLU -3.60 -1.00 1 79 PHE 1.20 0.40 1 80 LEU 0.80 1.20 1 81 SER -1.20 0.00 1 82 LEU -1.00 -0.30 1 83 ARG -5.00 -1.50 1 84 SER -1.70 -2.00 1 85 LEU 2.40 0.30 1 86 ASP -2.90 -0.70 1 87 LYS 3.20 2.10 1 89 ILE 1.00 1.20 1 90 MET 2.50 -0.70 1 91 ALA -1.00 -1.10 1 92 ASP 3.40 1.80 1 94 THR -5.70 -3.20 1 95 VAL -6.20 -2.90 1 96 ASN 1.00 -0.40 1 97 VAL -2.00 -1.90 1 99 LEU 2.10 2.50 1 100 LEU -3.50 -1.00 1 102 THR -3.90 -2.70 1 103 VAL 1.50 0.70 1 105 HIS 1.60 0.90 1 106 LYS -2.60 -1.90 1 107 ALA 2.50 1.20 1 108 SER -3.90 -0.70 1 109 VAL -1.20 -0.60 1 110 VAL -1.30 -1.00 1 111 GLN -3.90 -1.70 1 112 VAL -2.40 -2.70 1 114 PHE -3.00 -2.90 1 117 LEU 1.40 1.50 1 119 LYS 0.10 0.20 1 120 GLN -4.30 -1.40 1 121 ASP -1.50 -1.00 1 123 VAL -1.20 -1.40 1 124 ALA -4.90 -2.10 1 125 ALA -4.30 -2.60 1 126 PHE -3.30 -1.40 1 127 GLU -1.00 -0.80 1 128 VAL -2.20 -1.50 1 129 ASP -3.30 -3.20 1 130 VAL -5.40 -1.90 1 131 ILE -2.70 -1.30 1 132 VAL -6.60 -1.50 1 133 MET -2.50 -2.10 1 134 ASN 4.30 3.00 1 135 SER -0.20 -0.40 1 136 GLU -0.30 -0.40 1 138 ASN 1.30 2.80 1 139 THR -0.70 -0.70 1 140 ILE -1.30 -1.00 1 141 LEU -4.40 -1.80 1 142 GLN 2.30 2.00 1 143 THR 0.90 1.80 1 145 GLN -0.40 0.90 1 146 ASN 1.00 0.00 1 147 ALA -3.00 -1.90 1 148 ILE -3.90 -2.30 1 149 PHE -4.80 -1.30 1 150 PHE 0.40 -2.50 1 151 LYS 0.10 2.40 1 152 THR -4.90 -1.70 1 154 LEU 1.60 1.20 1 155 GLN -0.80 -0.20 1 156 ALA 0.30 1.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 4.40 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 5.10 _LACS_plot.Line_2_terminator_val_y_2 -1.50 _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 16 ILE 3.90 -5.20 0 10 GLU -1.80 0.20 1 11 SER 0.00 -1.60 1 12 LEU -2.20 0.70 1 13 TYR -5.10 4.00 1 14 LEU -1.70 1.40 1 15 TRP -0.90 0.00 1 17 ASP -1.40 1.40 1 18 ALA 2.20 0.60 1 19 HIS 5.10 -1.40 1 20 GLN 1.60 -0.30 1 21 ALA 3.20 0.30 1 22 ARG 5.10 -1.50 1 23 VAL 2.90 -0.60 1 24 LEU -0.30 2.50 1 25 ILE -3.00 2.20 1 27 PHE -3.80 2.20 1 28 GLU -0.80 -0.90 1 29 GLU -4.70 2.60 1 30 ASP 0.90 -0.50 1 31 ILE -2.30 1.20 1 32 LEU 1.10 -0.60 1 33 ILE 1.30 0.20 1 34 VAL -3.40 1.70 1 35 SER -3.00 1.00 1 36 GLU 0.10 1.50 1 38 LYS -3.10 1.20 1 43 THR 2.10 -0.60 1 47 ARG 2.00 -0.70 1 48 LYS 1.70 -0.60 1 49 ALA 0.90 -0.30 1 50 GLN 2.20 -1.20 1 51 GLN 1.00 1.00 1 55 ALA -1.30 0.20 1 56 ILE -0.00 1.20 1 58 VAL 3.10 -0.70 1 59 ASN 2.30 -1.80 1 60 ILE 0.20 -1.80 1 61 HIS -0.30 0.80 1 62 SER -2.60 1.00 1 63 MET 2.30 -3.10 1 64 ASN -0.30 -1.10 1 65 PHE -0.90 0.10 1 66 THR -2.20 1.80 1 67 TRP -8.20 3.40 1 68 GLN -3.20 3.80 1 69 ALA -0.80 -0.70 1 70 ALA -0.30 0.70 1 72 GLN 0.40 0.00 1 73 ALA -0.90 0.70 1 74 GLU -4.60 1.60 1 75 TYR -0.50 -0.80 1 76 PHE -3.10 1.60 1 77 TYR -0.60 -2.30 1 78 GLU -3.60 2.60 1 79 PHE 1.20 -0.80 1 80 LEU 0.80 0.40 1 81 SER -1.20 1.20 1 82 LEU -1.00 0.70 1 83 ARG -5.00 3.50 1 84 SER -1.70 -0.30 1 85 LEU 2.40 -2.10 1 86 ASP -2.90 2.20 1 87 LYS 3.20 -1.10 1 89 ILE 1.00 0.20 1 90 MET 2.50 -3.20 1 91 ALA -1.00 -0.10 1 92 ASP 3.40 -1.60 1 94 THR -5.70 2.50 1 95 VAL -6.20 3.30 1 96 ASN 1.00 -1.40 1 97 VAL -2.00 0.10 1 99 LEU 2.10 0.40 1 100 LEU -3.50 2.50 1 102 THR -3.90 1.20 1 103 VAL 1.50 -0.80 1 105 HIS 1.60 -0.70 1 106 LYS -2.60 0.70 1 107 ALA 2.50 -1.30 1 108 SER -3.90 3.20 1 109 VAL -1.20 0.60 1 110 VAL -1.30 0.30 1 111 GLN -3.90 2.20 1 112 VAL -2.40 -0.30 1 114 PHE -3.00 0.10 1 117 LEU 1.40 0.10 1 119 LYS 0.10 0.10 1 120 GLN -4.30 2.90 1 121 ASP -1.50 0.50 1 123 VAL -1.20 -0.20 1 124 ALA -4.90 2.80 1 125 ALA -4.30 1.70 1 126 PHE -3.30 1.90 1 127 GLU -1.00 0.20 1 128 VAL -2.20 0.70 1 129 ASP -3.30 0.10 1 130 VAL -5.40 3.50 1 131 ILE -2.70 1.40 1 132 VAL -6.60 5.10 1 133 MET -2.50 0.40 1 134 ASN 4.30 -1.30 1 135 SER -0.20 -0.20 1 136 GLU -0.30 -0.10 1 138 ASN 1.30 1.50 1 139 THR -0.70 0.00 1 140 ILE -1.30 0.30 1 141 LEU -4.40 2.60 1 142 GLN 2.30 -0.30 1 143 THR 0.90 0.90 1 145 GLN -0.40 1.30 1 146 ASN 1.00 -1.00 1 147 ALA -3.00 1.10 1 148 ILE -3.90 1.60 1 149 PHE -4.80 3.50 1 150 PHE 0.40 -2.90 1 151 LYS 0.10 2.30 1 152 THR -4.90 3.20 1 154 LEU 1.60 -0.40 1 155 GLN -0.80 0.60 1 156 ALA 0.30 1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 1.01 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 5.10 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 LEU -1.70 1.43 0 36 GLU 0.10 -1.17 0 77 TYR -0.60 1.42 0 10 GLU -1.80 0.18 1 11 SER 0.00 0.01 1 12 LEU -2.20 0.24 1 13 TYR -5.10 0.49 1 15 TRP -0.90 1.00 1 16 ILE 3.90 0.23 1 17 ASP -1.40 0.36 1 18 ALA 2.20 -0.52 1 19 HIS 5.10 -0.45 1 20 GLN 1.60 -0.11 1 21 ALA 3.20 -0.49 1 22 ARG 5.10 -0.75 1 23 VAL 2.90 -0.38 1 24 LEU -0.30 -0.08 1 25 ILE -3.00 0.50 1 27 PHE -3.80 0.12 1 28 GLU -0.80 0.11 1 29 GLU -4.70 0.08 1 30 ASP 0.90 0.19 1 31 ILE -2.30 0.09 1 32 LEU 1.10 0.17 1 33 ILE 1.30 0.11 1 34 VAL -3.40 0.60 1 35 SER -3.00 0.15 1 38 LYS -3.10 0.29 1 43 THR 2.10 -0.57 1 47 ARG 2.00 -0.27 1 48 LYS 1.70 -0.19 1 49 ALA 0.90 -0.13 1 50 GLN 2.20 -0.32 1 51 GLN 1.00 -0.42 1 55 ALA -1.30 0.06 1 56 ILE -0.00 -0.43 1 58 VAL 3.10 -0.49 1 59 ASN 2.30 -0.20 1 60 ILE 0.20 0.03 1 61 HIS -0.30 0.14 1 62 SER -2.60 0.38 1 63 MET 2.30 0.13 1 64 ASN -0.30 0.48 1 65 PHE -0.90 -0.09 1 66 THR -2.20 0.33 1 67 TRP -8.20 1.04 1 68 GLN -3.20 -0.04 1 69 ALA -0.80 0.52 1 70 ALA -0.30 0.24 1 72 GLN 0.40 -0.30 1 73 ALA -0.90 -0.20 1 74 GLU -4.60 0.15 1 75 TYR -0.50 0.32 1 76 PHE -3.10 0.39 1 78 GLU -3.60 0.69 1 79 PHE 1.20 0.04 1 80 LEU 0.80 -0.17 1 81 SER -1.20 0.07 1 82 LEU -1.00 0.62 1 83 ARG -5.00 0.63 1 84 SER -1.70 0.24 1 85 LEU 2.40 0.08 1 86 ASP -2.90 0.43 1 87 LYS 3.20 -0.07 1 89 ILE 1.00 -0.24 1 90 MET 2.50 0.15 1 91 ALA -1.00 0.18 1 92 ASP 3.40 -0.62 1 94 THR -5.70 0.13 1 95 VAL -6.20 1.06 1 96 ASN 1.00 -0.02 1 97 VAL -2.00 0.34 1 99 LEU 2.10 -0.10 1 100 LEU -3.50 0.39 1 102 THR -3.90 0.72 1 103 VAL 1.50 -1.19 1 105 HIS 1.60 0.61 1 106 LYS -2.60 0.25 1 107 ALA 2.50 0.02 1 108 SER -3.90 0.47 1 109 VAL -1.20 0.46 1 110 VAL -1.30 -0.08 1 111 GLN -3.90 0.60 1 112 VAL -2.40 0.75 1 114 PHE -3.00 -0.05 1 117 LEU 1.40 0.19 1 119 LYS 0.10 0.03 1 120 GLN -4.30 0.14 1 121 ASP -1.50 0.14 1 123 VAL -1.20 0.73 1 124 ALA -4.90 0.46 1 125 ALA -4.30 0.88 1 126 PHE -3.30 0.65 1 127 GLU -1.00 0.55 1 128 VAL -2.20 0.42 1 129 ASP -3.30 0.83 1 130 VAL -5.40 0.88 1 131 ILE -2.70 0.94 1 132 VAL -6.60 1.05 1 133 MET -2.50 0.34 1 134 ASN 4.30 -0.41 1 135 SER -0.20 -0.05 1 136 GLU -0.30 0.07 1 138 ASN 1.30 -0.27 1 139 THR -0.70 0.20 1 140 ILE -1.30 0.30 1 141 LEU -4.40 0.98 1 142 GLN 2.30 -0.52 1 143 THR 0.90 -0.42 1 145 GLN -0.40 -0.48 1 146 ASN 1.00 -0.39 1 147 ALA -3.00 -0.20 1 148 ILE -3.90 -0.42 1 149 PHE -4.80 1.12 1 150 PHE 0.40 0.45 1 151 LYS 0.10 0.10 1 152 THR -4.90 0.63 1 154 LEU 1.60 -0.68 1 155 GLN -0.80 0.01 1 156 ALA 0.30 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _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 -1.43 _LACS_plot.Line_2_terminator_val_x_2 5.10 _LACS_plot.Line_2_terminator_val_y_2 0.15 _LACS_plot.Y_axis_chem_shift_offset 0.99 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 HIS 5.10 3.40 0 10 GLU -1.80 0.00 1 11 SER 0.00 -2.30 1 12 LEU -2.20 -2.90 1 13 TYR -5.10 -2.00 1 14 LEU -1.70 -2.40 1 15 TRP -0.90 -3.80 1 16 ILE 3.90 -1.00 1 17 ASP -1.40 -1.50 1 18 ALA 2.20 1.00 1 20 GLN 1.60 3.20 1 21 ALA 3.20 1.50 1 22 ARG 5.10 2.60 1 23 VAL 2.90 -0.50 1 24 LEU -0.30 -0.80 1 25 ILE -3.00 -0.10 1 27 PHE -3.80 -2.50 1 28 GLU -0.80 -2.40 1 29 GLU -4.70 -3.20 1 30 ASP 0.90 0.40 1 31 ILE -2.30 -0.80 1 32 LEU 1.10 -2.20 1 33 ILE 1.30 -1.30 1 34 VAL -3.40 -2.50 1 35 SER -3.00 0.10 1 36 GLU 0.10 -1.10 1 38 LYS -3.10 -2.40 1 47 ARG 2.00 1.10 1 48 LYS 1.70 0.10 1 49 ALA 0.90 -0.20 1 50 GLN 2.20 -0.50 1 55 ALA -1.30 0.00 1 58 VAL 3.10 -0.80 1 59 ASN 2.30 -1.30 1 60 ILE 0.20 -2.20 1 61 HIS -0.30 0.40 1 62 SER -2.60 -3.80 1 63 MET 2.30 -3.80 1 64 ASN -0.30 0.00 1 65 PHE -0.90 -2.70 1 66 THR -2.20 -3.10 1 67 TRP -8.20 -1.30 1 68 GLN -3.20 -2.70 1 69 ALA -0.80 -0.80 1 70 ALA -0.30 -1.30 1 72 GLN 0.40 0.50 1 73 ALA -0.90 -1.50 1 74 GLU -4.60 -1.50 1 75 TYR -0.50 -2.00 1 76 PHE -3.10 -1.50 1 77 TYR -0.60 -2.10 1 78 GLU -3.60 -1.00 1 79 PHE 1.20 -0.90 1 80 LEU 0.80 0.60 1 81 SER -1.20 -1.90 1 82 LEU -1.00 -2.80 1 83 ARG -5.00 -0.90 1 84 SER -1.70 0.80 1 85 LEU 2.40 -1.60 1 86 ASP -2.90 0.30 1 87 LYS 3.20 -0.40 1 89 ILE 1.00 -1.20 1 90 MET 2.50 -2.60 1 91 ALA -1.00 -3.90 1 94 THR -5.70 -0.80 1 95 VAL -6.20 -1.00 1 96 ASN 1.00 -0.60 1 99 LEU 2.10 -2.90 1 100 LEU -3.50 -2.00 1 102 THR -3.90 -0.20 1 105 HIS 1.60 0.80 1 106 LYS -2.60 -1.10 1 107 ALA 2.50 0.20 1 108 SER -3.90 -3.80 1 109 VAL -1.20 0.20 1 110 VAL -1.30 -2.70 1 111 GLN -3.90 -1.00 1 112 VAL -2.40 -1.70 1 117 LEU 1.40 0.50 1 119 LYS 0.10 -0.70 1 120 GLN -4.30 -2.10 1 121 ASP -1.50 -0.10 1 123 VAL -1.20 -1.20 1 124 ALA -4.90 -2.10 1 125 ALA -4.30 -0.60 1 126 PHE -3.30 -5.00 1 127 GLU -1.00 -3.00 1 128 VAL -2.20 -1.90 1 129 ASP -3.30 -0.70 1 130 VAL -5.40 -2.50 1 131 ILE -2.70 -1.40 1 132 VAL -6.60 -0.50 1 133 MET -2.50 2.10 1 134 ASN 4.30 0.40 1 135 SER -0.20 -0.30 1 136 GLU -0.30 0.00 1 138 ASN 1.30 -0.30 1 139 THR -0.70 -1.30 1 140 ILE -1.30 -3.90 1 141 LEU -4.40 -1.20 1 142 GLN 0.90 0.50 1 145 GLN -0.40 -1.40 1 146 ASN 1.00 -2.70 1 147 ALA -3.00 -3.40 1 148 ILE -3.90 -3.40 1 149 PHE -4.80 -0.20 1 150 PHE 0.40 -3.20 1 151 LYS 0.10 -0.70 1 152 THR -4.90 -0.30 1 154 LEU 1.60 -1.00 1 155 GLN -0.80 -1.80 1 stop_ save_