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 bmr4676_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 -0.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 2.39 _LACS_plot.Line_2_terminator_val_y_2 1.63 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ASP 2.00 -0.80 0 126 ASP 1.70 -1.10 0 122 ASP 1.20 -1.40 0 20 ASP 1.80 -1.10 0 141 ASP 2.40 -0.60 0 10 VAL 0.80 0.80 1 11 LEU 0.90 0.60 1 12 HIS 1.00 0.60 1 13 VAL 0.40 0.30 1 15 ALA -0.10 0.40 1 16 LYS 0.70 0.50 1 17 VAL 1.10 0.40 1 18 GLU 0.50 -0.70 1 19 ALA 0.50 0.60 1 21 VAL 0.60 0.30 1 22 ALA 0.30 0.20 1 24 HIS 0.50 0.40 1 26 GLN 0.20 0.40 1 28 ILE 0.70 0.50 1 29 LEU 0.70 0.40 1 30 ILE 0.70 0.40 1 31 ARG 0.40 0.30 1 32 LEU 0.00 0.10 1 33 PHE 0.00 0.00 1 34 LYS 0.10 0.20 1 35 SER -0.10 0.00 1 36 HIS 0.40 0.10 1 38 GLU 0.30 -0.60 1 39 THR 0.50 0.40 1 40 LEU 0.20 0.20 1 41 GLU 0.60 -0.50 1 42 LYS 0.60 0.40 1 43 PHE 0.20 0.20 1 44 ASP 1.20 -1.00 1 45 ARG 1.60 1.00 1 46 PHE 0.50 0.10 1 47 LYS 0.50 0.40 1 48 HIS 0.50 0.30 1 49 LEU 0.10 0.20 1 50 LYS 0.30 0.40 1 51 THR -0.20 0.10 1 52 GLU 1.60 0.30 1 53 ALA 1.00 0.90 1 54 GLU 1.10 -0.10 1 55 MET 1.30 1.00 1 56 LYS 1.10 0.90 1 57 ALA 0.80 0.70 1 58 SER 0.80 0.70 1 59 GLU 0.80 -0.30 1 60 ASP 2.00 -0.70 1 61 LEU 0.70 0.50 1 62 LYS 0.50 0.10 1 63 LYS 0.10 0.20 1 64 HIS -0.10 0.20 1 66 VAL -0.10 0.00 1 67 THR 0.20 0.30 1 68 VAL 0.20 0.10 1 69 LEU 0.00 0.00 1 70 THR -0.00 0.10 1 71 ALA 0.20 0.10 1 72 LEU 0.60 0.60 1 74 ALA 0.20 0.30 1 75 ILE 0.90 0.50 1 76 LEU 0.50 0.30 1 77 LYS 0.40 0.20 1 78 LYS 0.30 0.20 1 79 LYS 0.10 0.30 1 81 HIS -0.20 0.10 1 82 HIS 0.10 0.30 1 83 GLU -0.40 -1.00 1 84 ALA -0.30 -0.10 1 85 GLU -0.20 -1.10 1 86 LEU -0.20 -0.10 1 87 LYS -0.10 -0.10 1 89 LEU -0.10 0.00 1 90 ALA -0.10 0.00 1 91 GLN -0.00 -0.20 1 92 SER -0.10 0.00 1 93 HIS -0.10 0.00 1 94 ALA -0.20 0.00 1 95 THR -0.20 0.00 1 96 LYS -0.20 -0.10 1 97 HIS -0.40 -0.10 1 98 LYS -0.00 0.10 1 99 ILE -0.10 -0.10 1 101 ILE 0.50 0.40 1 102 LYS 0.30 0.20 1 103 TYR 0.30 0.20 1 104 LEU 0.10 0.10 1 105 GLU 0.40 -0.60 1 106 PHE 0.30 0.20 1 107 ILE 0.20 0.10 1 108 SER 0.30 0.30 1 109 GLU 0.70 -0.50 1 110 ALA 0.80 0.50 1 111 ILE 0.70 0.30 1 112 ILE 0.60 0.20 1 113 HIS 0.30 0.20 1 114 VAL 0.60 0.40 1 115 LEU 0.00 0.10 1 116 HIS 0.20 0.10 1 117 SER -0.20 0.00 1 118 ARG 0.10 0.10 1 119 HIS 0.10 -0.10 1 123 PHE 0.40 0.30 1 125 ALA 0.40 0.40 1 127 ALA 0.50 0.50 1 128 GLN 0.50 0.80 1 130 ALA 0.60 0.60 1 131 MET 1.10 0.70 1 132 ASN 1.20 0.80 1 133 LYS 2.00 1.50 1 134 ALA 1.40 1.10 1 135 LEU 1.30 1.00 1 136 GLU 1.90 0.30 1 137 LEU 1.30 1.00 1 138 PHE 1.20 0.90 1 139 ARG 1.20 1.00 1 140 LYS 1.30 1.10 1 142 ILE 1.20 0.70 1 143 ALA 0.60 0.50 1 144 ALA 0.70 0.60 1 145 LYS 1.20 0.80 1 146 TYR 0.40 0.10 1 147 LYS 0.80 0.60 1 148 GLU 0.50 -0.70 1 149 LEU 0.40 0.40 1 151 TYR 0.30 0.30 1 152 GLN -0.20 -0.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4676_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 0.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 2.39 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ASP 2.00 -2.80 0 126 ASP 1.70 -2.80 0 122 ASP 1.20 -2.60 0 20 ASP 1.80 -2.90 0 141 ASP 2.40 -3.00 0 10 VAL 0.80 0.00 1 11 LEU 0.90 -0.30 1 12 HIS 1.00 -0.40 1 13 VAL 0.40 -0.10 1 15 ALA -0.10 0.50 1 16 LYS 0.70 -0.20 1 17 VAL 1.10 -0.70 1 18 GLU 0.50 -1.20 1 19 ALA 0.50 0.10 1 21 VAL 0.60 -0.30 1 22 ALA 0.30 -0.10 1 24 HIS 0.50 -0.10 1 26 GLN 0.20 0.20 1 28 ILE 0.70 -0.20 1 29 LEU 0.70 -0.30 1 30 ILE 0.70 -0.30 1 31 ARG 0.40 -0.10 1 32 LEU 0.00 0.10 1 33 PHE 0.00 0.00 1 34 LYS 0.10 0.10 1 35 SER -0.10 0.10 1 36 HIS 0.40 -0.30 1 38 GLU 0.30 -0.90 1 39 THR 0.50 -0.10 1 40 LEU 0.20 0.00 1 41 GLU 0.60 -1.10 1 42 LYS 0.60 -0.20 1 43 PHE 0.20 0.00 1 44 ASP 1.20 -2.20 1 45 ARG 1.60 -0.60 1 46 PHE 0.50 -0.40 1 47 LYS 0.50 -0.10 1 48 HIS 0.50 -0.20 1 49 LEU 0.10 0.10 1 50 LYS 0.30 0.10 1 51 THR -0.20 0.30 1 52 GLU 1.60 -1.30 1 53 ALA 1.00 -0.10 1 54 GLU 1.10 -1.20 1 55 MET 1.30 -0.30 1 56 LYS 1.10 -0.20 1 57 ALA 0.80 -0.10 1 58 SER 0.80 -0.10 1 59 GLU 0.80 -1.10 1 60 ASP 2.00 -2.70 1 61 LEU 0.70 -0.20 1 62 LYS 0.50 -0.40 1 63 LYS 0.10 0.10 1 64 HIS -0.10 0.30 1 66 VAL -0.10 0.10 1 67 THR 0.20 0.10 1 68 VAL 0.20 -0.10 1 69 LEU 0.00 0.00 1 70 THR -0.00 0.10 1 71 ALA 0.20 -0.10 1 72 LEU 0.60 0.00 1 74 ALA 0.20 0.10 1 75 ILE 0.90 -0.40 1 76 LEU 0.50 -0.20 1 77 LYS 0.40 -0.20 1 78 LYS 0.30 -0.10 1 79 LYS 0.10 0.20 1 81 HIS -0.20 0.30 1 82 HIS 0.10 0.20 1 83 GLU -0.40 -0.60 1 84 ALA -0.30 0.20 1 85 GLU -0.20 -0.90 1 86 LEU -0.20 0.10 1 87 LYS -0.10 0.00 1 89 LEU -0.10 0.10 1 90 ALA -0.10 0.10 1 91 GLN -0.00 -0.20 1 92 SER -0.10 0.10 1 93 HIS -0.10 0.10 1 94 ALA -0.20 0.20 1 95 THR -0.20 0.20 1 96 LYS -0.20 0.10 1 97 HIS -0.40 0.30 1 98 LYS -0.00 0.10 1 99 ILE -0.10 0.00 1 101 ILE 0.50 -0.10 1 102 LYS 0.30 -0.10 1 103 TYR 0.30 -0.10 1 104 LEU 0.10 0.00 1 105 GLU 0.40 -1.00 1 106 PHE 0.30 -0.10 1 107 ILE 0.20 -0.10 1 108 SER 0.30 0.00 1 109 GLU 0.70 -1.20 1 110 ALA 0.80 -0.30 1 111 ILE 0.70 -0.40 1 112 ILE 0.60 -0.40 1 113 HIS 0.30 -0.10 1 114 VAL 0.60 -0.20 1 115 LEU 0.00 0.10 1 116 HIS 0.20 -0.10 1 117 SER -0.20 0.20 1 118 ARG 0.10 0.00 1 119 HIS 0.10 -0.20 1 123 PHE 0.40 -0.10 1 125 ALA 0.40 0.00 1 127 ALA 0.50 0.00 1 128 GLN 0.50 0.30 1 130 ALA 0.60 0.00 1 131 MET 1.10 -0.40 1 132 ASN 1.20 -0.40 1 133 LYS 2.00 -0.50 1 134 ALA 1.40 -0.30 1 135 LEU 1.30 -0.30 1 136 GLU 1.90 -1.60 1 137 LEU 1.30 -0.30 1 138 PHE 1.20 -0.30 1 139 ARG 1.20 -0.20 1 140 LYS 1.30 -0.20 1 142 ILE 1.20 -0.50 1 143 ALA 0.60 -0.10 1 144 ALA 0.70 -0.10 1 145 LYS 1.20 -0.40 1 146 TYR 0.40 -0.30 1 147 LYS 0.80 -0.20 1 148 GLU 0.50 -1.20 1 149 LEU 0.40 0.00 1 151 TYR 0.30 0.00 1 152 GLN -0.20 -0.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4676_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 -0.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _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 2.39 _LACS_plot.Line_2_terminator_val_y_2 -0.15 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 ILE -0.10 -0.34 0 87 LYS -0.10 -0.36 0 10 VAL 0.80 -0.17 1 11 LEU 0.90 -0.05 1 12 HIS 1.00 -0.24 1 13 VAL 0.40 -0.07 1 16 LYS 0.70 -0.03 1 17 VAL 1.10 -0.04 1 18 GLU 0.50 -0.07 1 19 ALA 0.50 -0.05 1 20 ASP 1.80 0.05 1 21 VAL 0.60 -0.05 1 22 ALA 0.30 -0.02 1 24 HIS 0.50 0.00 1 26 GLN 0.20 -0.01 1 27 ASP 2.00 0.04 1 28 ILE 0.70 -0.09 1 29 LEU 0.70 -0.03 1 30 ILE 0.70 -0.05 1 31 ARG 0.40 -0.07 1 32 LEU 0.00 -0.04 1 33 PHE 0.00 -0.02 1 34 LYS 0.10 -0.04 1 35 SER -0.10 -0.12 1 36 HIS 0.40 -0.04 1 38 GLU 0.30 0.08 1 39 THR 0.50 -0.06 1 40 LEU 0.20 -0.05 1 41 GLU 0.60 -0.07 1 42 LYS 0.60 -0.08 1 43 PHE 0.20 -0.03 1 44 ASP 1.20 -0.04 1 45 ARG 1.60 -0.08 1 46 PHE 0.50 -0.03 1 47 LYS 0.50 -0.14 1 48 HIS 0.50 -0.06 1 49 LEU 0.10 -0.03 1 50 LYS 0.30 0.06 1 51 THR -0.20 -0.03 1 52 GLU 1.60 -0.06 1 53 ALA 1.00 0.02 1 54 GLU 1.10 -0.10 1 55 MET 1.30 -0.13 1 56 LYS 1.10 -0.11 1 57 ALA 0.80 -0.05 1 58 SER 0.80 -0.08 1 59 GLU 0.80 -0.05 1 60 ASP 2.00 0.02 1 61 LEU 0.70 -0.05 1 62 LYS 0.50 -0.06 1 63 LYS 0.10 -0.06 1 64 HIS -0.10 0.00 1 66 VAL -0.10 0.11 1 67 THR 0.20 0.00 1 68 VAL 0.20 -0.02 1 69 LEU 0.00 0.09 1 70 THR -0.00 -0.07 1 71 ALA 0.20 0.02 1 72 LEU 0.60 -0.04 1 74 ALA 0.20 -0.03 1 75 ILE 0.90 -0.10 1 76 LEU 0.50 -0.03 1 77 LYS 0.40 -0.04 1 78 LYS 0.30 -0.06 1 79 LYS 0.10 -0.03 1 81 HIS -0.20 -0.04 1 82 HIS 0.10 -0.06 1 83 GLU -0.40 0.00 1 84 ALA -0.30 -0.03 1 85 GLU -0.20 0.00 1 86 LEU -0.20 0.04 1 89 LEU -0.10 -0.05 1 90 ALA -0.10 0.02 1 91 GLN -0.00 0.01 1 92 SER -0.10 -0.09 1 93 HIS -0.10 0.03 1 94 ALA -0.20 0.00 1 95 THR -0.20 -0.06 1 96 LYS -0.20 -0.03 1 97 HIS -0.40 -0.03 1 98 LYS -0.00 -0.01 1 101 ILE 0.50 -0.12 1 102 LYS 0.30 -0.03 1 103 TYR 0.30 -0.01 1 104 LEU 0.10 -0.09 1 105 GLU 0.40 -0.10 1 106 PHE 0.30 -0.02 1 107 ILE 0.20 -0.09 1 108 SER 0.30 -0.12 1 109 GLU 0.70 -0.06 1 110 ALA 0.80 -0.05 1 111 ILE 0.70 -0.10 1 112 ILE 0.60 -0.13 1 113 HIS 0.30 0.00 1 114 VAL 0.60 -0.02 1 115 LEU 0.00 -0.05 1 116 HIS 0.20 0.01 1 117 SER -0.20 -0.03 1 118 ARG 0.10 -0.02 1 119 HIS 0.10 -0.05 1 122 ASP 1.20 0.06 1 123 PHE 0.40 -0.02 1 125 ALA 0.40 -0.06 1 126 ASP 1.70 0.04 1 127 ALA 0.50 -0.05 1 128 GLN 0.50 -0.07 1 130 ALA 0.60 -0.03 1 131 MET 1.10 -0.09 1 132 ASN 1.20 -0.11 1 133 LYS 2.00 -0.12 1 134 ALA 1.40 -0.08 1 135 LEU 1.30 -0.07 1 136 GLU 1.90 -0.14 1 137 LEU 1.30 -0.16 1 138 PHE 1.20 -0.09 1 139 ARG 1.20 -0.07 1 140 LYS 1.30 -0.12 1 141 ASP 2.40 0.02 1 142 ILE 1.20 -0.12 1 143 ALA 0.60 -0.07 1 144 ALA 0.70 -0.14 1 145 LYS 1.20 -0.18 1 146 TYR 0.40 -0.05 1 147 LYS 0.80 -0.14 1 148 GLU 0.50 -0.04 1 149 LEU 0.40 -0.03 1 151 TYR 0.30 -0.03 1 152 GLN -0.20 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4676_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 -0.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 2.39 _LACS_plot.Line_2_terminator_val_y_2 0.31 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 HIS 0.40 6.20 0 119 HIS 0.10 6.30 0 10 VAL 0.80 -0.10 1 11 LEU 0.90 -0.30 1 12 HIS 1.00 0.30 1 13 VAL 0.40 0.00 1 15 ALA -0.10 -0.40 1 16 LYS 0.70 0.20 1 17 VAL 1.10 0.10 1 18 GLU 0.50 -0.80 1 19 ALA 0.50 -0.30 1 20 ASP 1.80 -1.00 1 21 VAL 0.60 -0.30 1 22 ALA 0.30 0.40 1 24 HIS 0.50 0.90 1 26 GLN 0.20 -0.10 1 27 ASP 2.00 -1.00 1 28 ILE 0.70 -0.40 1 29 LEU 0.70 -0.40 1 30 ILE 0.70 -0.20 1 31 ARG 0.40 -0.30 1 32 LEU 0.00 -0.60 1 33 PHE 0.00 -0.20 1 34 LYS 0.10 -0.50 1 35 SER -0.10 -0.80 1 38 GLU 0.30 -0.30 1 39 THR 0.50 -0.30 1 40 LEU 0.20 -0.30 1 41 GLU 0.60 -0.50 1 42 LYS 0.60 -0.20 1 43 PHE 0.20 -0.30 1 44 ASP 1.20 -0.80 1 45 ARG 1.60 -0.10 1 46 PHE 0.50 0.00 1 47 LYS 0.50 -0.40 1 48 HIS 0.50 0.20 1 49 LEU 0.10 -0.20 1 50 LYS 0.30 0.20 1 51 THR -0.20 0.20 1 52 GLU 1.60 0.30 1 53 ALA 1.00 0.90 1 54 GLU 1.10 0.40 1 55 MET 1.30 0.60 1 56 LYS 1.10 -0.40 1 57 ALA 0.80 0.70 1 58 SER 0.80 0.50 1 59 GLU 0.80 -0.50 1 60 ASP 2.00 -0.90 1 61 LEU 0.70 -0.10 1 62 LYS 0.50 0.00 1 63 LYS 0.10 -0.20 1 64 HIS -0.10 0.60 1 66 VAL -0.10 0.10 1 67 THR 0.20 -0.50 1 68 VAL 0.20 -0.50 1 69 LEU 0.00 -0.10 1 70 THR -0.00 -0.40 1 71 ALA 0.20 0.10 1 72 LEU 0.60 0.60 1 74 ALA 0.20 0.30 1 75 ILE 0.90 0.20 1 76 LEU 0.50 -0.20 1 77 LYS 0.40 0.00 1 78 LYS 0.30 0.10 1 79 LYS 0.10 0.50 1 81 HIS -0.20 0.00 1 82 HIS 0.10 -0.10 1 83 GLU -0.40 -1.30 1 84 ALA -0.30 -0.50 1 85 GLU -0.20 -0.90 1 86 LEU -0.20 -0.70 1 87 LYS -0.10 -0.50 1 89 LEU -0.10 -0.20 1 90 ALA -0.10 -0.20 1 91 GLN -0.00 0.00 1 92 SER -0.10 -0.20 1 93 HIS -0.10 -0.20 1 94 ALA -0.20 -0.10 1 95 THR -0.20 -0.40 1 96 LYS -0.20 -0.40 1 97 HIS -0.40 -0.10 1 98 LYS -0.00 -0.50 1 99 ILE -0.10 -0.50 1 101 ILE 0.50 -0.20 1 102 LYS 0.30 -0.50 1 103 TYR 0.30 -0.30 1 104 LEU 0.10 -0.60 1 105 GLU 0.40 -1.00 1 106 PHE 0.30 -0.20 1 107 ILE 0.20 -0.40 1 108 SER 0.30 0.20 1 109 GLU 0.70 -0.70 1 110 ALA 0.80 0.10 1 111 ILE 0.70 -0.10 1 112 ILE 0.60 -0.20 1 113 HIS 0.30 0.20 1 114 VAL 0.60 -0.40 1 115 LEU 0.00 -0.40 1 116 HIS 0.20 0.20 1 117 SER -0.20 -0.30 1 118 ARG 0.10 -0.50 1 122 ASP 1.20 -1.20 1 123 PHE 0.40 0.50 1 125 ALA 0.40 0.10 1 126 ASP 1.70 -1.00 1 127 ALA 0.50 0.20 1 128 GLN 0.50 0.90 1 130 ALA 0.60 0.60 1 131 MET 1.10 0.10 1 132 ASN 1.20 0.80 1 133 LYS 2.00 0.60 1 134 ALA 1.40 1.00 1 135 LEU 1.30 0.50 1 136 GLU 1.90 0.20 1 137 LEU 1.30 -0.10 1 138 PHE 1.20 0.50 1 139 ARG 1.20 0.50 1 140 LYS 1.30 0.30 1 141 ASP 2.40 -0.50 1 142 ILE 1.20 -0.10 1 143 ALA 0.60 0.30 1 144 ALA 0.70 0.40 1 145 LYS 1.20 0.10 1 146 TYR 0.40 0.10 1 147 LYS 0.80 -0.20 1 148 GLU 0.50 -0.50 1 149 LEU 0.40 0.20 1 151 TYR 0.30 -0.20 1 152 GLN -0.20 -0.50 1 stop_ save_