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 bmr5540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -3.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 6.76 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 PHE -0.60 -3.60 0 10 SER -4.70 -1.50 1 11 THR 3.70 3.60 1 12 THR -0.50 -1.30 1 14 ASN 6.90 3.70 1 15 THR 9.10 6.30 1 16 GLU 3.70 3.00 1 17 TYR 4.60 3.30 1 18 THR 7.30 5.60 1 19 ALA 3.00 2.70 1 20 GLU 3.90 3.20 1 21 THR 6.80 4.90 1 22 ILE 5.50 4.70 1 23 ALA 4.20 3.20 1 24 ARG 3.90 2.70 1 25 GLU 2.60 1.90 1 26 LEU 5.00 2.90 1 27 ALA 3.70 2.30 1 28 ASP 3.20 2.40 1 29 ALA -0.50 -1.20 1 31 TYR 1.20 0.60 1 32 GLU -0.70 -0.50 1 33 VAL -1.70 -0.80 1 34 ASP -3.60 -1.70 1 35 SER -2.60 -2.20 1 36 ARG -5.50 -1.90 1 37 ASP -2.00 -1.70 1 38 ALA 2.50 1.80 1 39 ALA 1.80 1.30 1 40 SER -1.60 -0.30 1 41 VAL -3.30 -2.60 1 42 GLU -3.70 -2.30 1 43 ALA 1.80 2.70 1 46 LEU 3.20 2.90 1 48 GLU 2.30 1.40 1 50 PHE 1.00 1.70 1 51 ASP 0.70 2.40 1 52 LEU -4.70 -1.30 1 53 VAL -3.10 -1.70 1 54 LEU -4.90 -2.90 1 55 LEU -4.80 -2.60 1 58 SER -2.10 -2.20 1 59 THR 1.00 1.90 1 60 TRP -2.10 -0.20 1 62 ASP 1.60 1.80 1 63 ASP 0.00 -0.60 1 64 SER -2.40 -1.50 1 65 ILE 3.10 1.70 1 66 GLU -4.30 -2.50 1 67 LEU -1.00 -0.60 1 68 GLN 5.20 3.20 1 69 ASP 3.80 4.30 1 70 ASP 1.90 2.20 1 71 PHE -3.10 0.80 1 72 ILE 4.30 2.20 1 74 LEU 3.80 4.20 1 75 PHE 3.40 2.60 1 76 ASP -0.90 -1.20 1 77 SER 2.00 2.20 1 78 LEU 3.90 3.00 1 79 GLU -0.70 -0.50 1 80 GLU 0.60 1.70 1 81 THR 1.60 1.30 1 83 ALA 4.80 3.00 1 84 GLN -2.30 -2.60 1 86 ARG 1.80 0.40 1 87 LYS -8.10 -4.40 1 88 VAL -4.40 -0.50 1 89 ALA -7.30 -3.40 1 91 PHE -2.60 -0.40 1 95 ASP 4.20 1.80 1 96 SER 2.70 2.00 1 97 SER 2.10 1.00 1 98 TYR 2.50 2.50 1 99 GLU 0.50 -2.20 1 100 TYR -0.60 -1.80 1 101 PHE 1.30 2.70 1 104 ALA 6.20 4.30 1 105 VAL 4.20 3.10 1 106 ASP 3.50 2.30 1 107 ALA 5.60 5.30 1 108 ILE 4.20 4.60 1 109 GLU 3.30 2.80 1 110 GLU 5.00 4.10 1 111 LYS 3.90 2.90 1 112 LEU 5.00 3.90 1 113 LYS 3.30 2.60 1 114 ASN -0.00 -0.30 1 115 LEU -1.60 0.00 1 117 ALA -2.30 -2.10 1 118 GLU 1.80 -1.30 1 119 ILE 2.00 1.30 1 120 VAL -4.60 -1.60 1 121 GLN 1.40 1.50 1 122 ASP 2.10 -1.00 1 124 LEU -1.60 -1.50 1 125 ARG -1.30 -1.70 1 126 ILE -3.20 -2.40 1 127 ASP -1.10 -0.40 1 129 ASP 5.30 2.50 1 131 ARG 0.70 0.00 1 132 ALA -2.50 -2.10 1 133 ALA 5.80 5.00 1 134 ARG 4.80 3.30 1 135 ASP 3.90 2.60 1 136 ASP 4.50 4.30 1 137 ILE 6.20 4.80 1 138 VAL 4.60 4.40 1 140 TRP 3.50 2.30 1 141 ALA 3.20 4.10 1 142 HIS 4.70 2.90 1 143 ASP 5.70 3.60 1 144 VAL 3.50 2.00 1 145 ARG -0.70 -0.30 1 147 ALA 1.50 1.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 4.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.55 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 -2.33 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 PHE -0.60 -3.00 0 10 SER -4.70 3.20 1 11 THR 3.70 -0.10 1 12 THR -0.50 -0.80 1 14 ASN 6.90 -3.20 1 15 THR 9.10 -2.80 1 16 GLU 3.70 -0.70 1 17 TYR 4.60 -1.30 1 18 THR 7.30 -1.70 1 19 ALA 3.00 -0.30 1 20 GLU 3.90 -0.70 1 21 THR 6.80 -1.90 1 22 ILE 5.50 -0.80 1 23 ALA 4.20 -1.00 1 24 ARG 3.90 -1.20 1 25 GLU 2.60 -0.70 1 26 LEU 5.00 -2.10 1 27 ALA 3.70 -1.40 1 28 ASP 3.20 -0.80 1 29 ALA -0.50 -0.70 1 31 TYR 1.20 -0.60 1 32 GLU -0.70 0.20 1 33 VAL -1.70 0.90 1 34 ASP -3.60 1.90 1 35 SER -2.60 0.40 1 36 ARG -5.50 3.60 1 37 ASP -2.00 0.30 1 38 ALA 2.50 -0.70 1 39 ALA 1.80 -0.50 1 40 SER -1.60 1.30 1 41 VAL -3.30 0.70 1 42 GLU -3.70 1.40 1 43 ALA 1.80 0.90 1 46 LEU 3.20 -0.30 1 48 GLU 2.30 -0.90 1 50 PHE 1.00 0.70 1 51 ASP 0.70 1.70 1 52 LEU -4.70 3.40 1 53 VAL -3.10 1.40 1 54 LEU -4.90 2.00 1 55 LEU -4.80 2.20 1 58 SER -2.10 -0.10 1 59 THR 1.00 0.90 1 60 TRP -2.10 1.90 1 62 ASP 1.60 0.20 1 63 ASP 0.00 -0.60 1 64 SER -2.40 0.90 1 65 ILE 3.10 -1.40 1 66 GLU -4.30 1.80 1 67 LEU -1.00 0.40 1 68 GLN 5.20 -2.00 1 69 ASP 3.80 0.50 1 70 ASP 1.90 0.30 1 71 PHE -3.10 3.90 1 72 ILE 4.30 -2.10 1 74 LEU 3.80 0.40 1 75 PHE 3.40 -0.80 1 76 ASP -0.90 -0.30 1 77 SER 2.00 0.20 1 78 LEU 3.90 -0.90 1 79 GLU -0.70 0.20 1 80 GLU 0.60 1.10 1 81 THR 1.60 -0.30 1 83 ALA 4.80 -1.80 1 84 GLN -2.30 -0.30 1 86 ARG 1.80 -1.40 1 87 LYS -8.10 3.70 1 88 VAL -4.40 3.90 1 89 ALA -7.30 3.90 1 91 PHE -2.60 2.20 1 95 ASP 4.20 -2.40 1 96 SER 2.70 -0.70 1 97 SER 2.10 -1.10 1 98 TYR 2.50 0.00 1 99 GLU 0.50 -2.70 1 100 TYR -0.60 -1.20 1 101 PHE 1.30 1.40 1 104 ALA 6.20 -1.90 1 105 VAL 4.20 -1.10 1 106 ASP 3.50 -1.20 1 107 ALA 5.60 -0.30 1 108 ILE 4.20 0.40 1 109 GLU 3.30 -0.50 1 110 GLU 5.00 -0.90 1 111 LYS 3.90 -1.00 1 112 LEU 5.00 -1.10 1 113 LYS 3.30 -0.70 1 114 ASN -0.00 -0.30 1 115 LEU -1.60 1.60 1 117 ALA -2.30 0.20 1 118 GLU 1.80 -3.10 1 119 ILE 2.00 -0.70 1 120 VAL -4.60 3.00 1 121 GLN 1.40 0.10 1 122 ASP 2.10 -3.10 1 124 LEU -1.60 0.10 1 125 ARG -1.30 -0.40 1 126 ILE -3.20 0.80 1 127 ASP -1.10 0.70 1 129 ASP 5.30 -2.80 1 131 ARG 0.70 -0.70 1 132 ALA -2.50 0.40 1 133 ALA 5.80 -0.80 1 134 ARG 4.80 -1.50 1 135 ASP 3.90 -1.30 1 136 ASP 4.50 -0.20 1 137 ILE 6.20 -1.40 1 138 VAL 4.60 -0.20 1 140 TRP 3.50 -1.20 1 141 ALA 3.20 0.90 1 142 HIS 4.70 -1.80 1 143 ASP 5.70 -2.10 1 144 VAL 3.50 -1.50 1 145 ARG -0.70 0.40 1 147 ALA 1.50 -0.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 1.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 -1.05 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ASP -2.00 -1.14 0 10 SER -4.70 0.93 1 11 THR 3.70 0.15 1 12 THR -0.50 0.55 1 14 ASN 6.90 0.06 1 15 THR 9.10 -0.55 1 16 GLU 3.70 -1.35 1 17 TYR 4.60 -0.45 1 18 THR 7.30 -1.05 1 19 ALA 3.00 -0.92 1 20 GLU 3.90 -0.45 1 21 THR 6.80 -0.75 1 22 ILE 5.50 -1.07 1 23 ALA 4.20 -0.72 1 24 ARG 3.90 -0.34 1 25 GLU 2.60 -0.35 1 26 LEU 5.00 -0.64 1 27 ALA 3.70 0.38 1 28 ASP 3.20 -0.14 1 29 ALA -0.50 0.28 1 31 TYR 1.20 -0.05 1 32 GLU -0.70 0.25 1 33 VAL -1.70 0.88 1 34 ASP -3.60 0.26 1 35 SER -2.60 1.23 1 36 ARG -5.50 0.36 1 38 ALA 2.50 -0.72 1 39 ALA 1.80 -0.12 1 40 SER -1.60 0.13 1 41 VAL -3.30 0.48 1 42 GLU -3.70 0.15 1 43 ALA 1.80 -0.82 1 46 LEU 3.20 -0.24 1 47 PHE -0.60 0.28 1 48 GLU 2.30 -0.25 1 50 PHE 1.00 -0.12 1 51 ASP 0.70 -0.64 1 52 LEU -4.70 0.56 1 53 VAL -3.10 0.68 1 54 LEU -4.90 1.66 1 55 LEU -4.80 1.16 1 58 SER -2.10 0.63 1 59 THR 1.00 0.25 1 60 TRP -2.10 0.24 1 62 ASP 1.60 0.36 1 63 ASP 0.00 0.26 1 64 SER -2.40 0.23 1 65 ILE 3.10 -0.27 1 66 GLU -4.30 0.35 1 67 LEU -1.00 -0.14 1 68 GLN 5.20 -0.74 1 69 ASP 3.80 -0.64 1 70 ASP 1.90 -0.24 1 71 PHE -3.10 -0.72 1 72 ILE 4.30 -0.54 1 74 LEU 3.80 -0.72 1 75 PHE 3.40 -0.34 1 76 ASP -0.90 0.43 1 77 SER 2.00 -0.44 1 78 LEU 3.90 -0.35 1 79 GLU -0.70 0.15 1 80 GLU 0.60 -0.05 1 81 THR 1.60 -0.32 1 83 ALA 4.80 -0.64 1 84 GLN -2.30 0.06 1 86 ARG 1.80 0.68 1 87 LYS -8.10 1.88 1 88 VAL -4.40 0.68 1 89 ALA -7.30 0.88 1 91 PHE -2.60 0.86 1 95 ASP 4.20 -0.77 1 96 SER 2.70 -0.27 1 97 SER 2.10 -0.35 1 98 TYR 2.50 -0.55 1 99 GLU 0.50 0.15 1 100 TYR -0.60 0.68 1 101 PHE 1.30 -0.72 1 104 ALA 6.20 -0.92 1 105 VAL 4.20 -0.44 1 106 ASP 3.50 -0.12 1 107 ALA 5.60 -0.37 1 108 ILE 4.20 -0.55 1 109 GLU 3.30 -0.35 1 110 GLU 5.00 -0.22 1 111 LYS 3.90 -0.54 1 112 LEU 5.00 -0.22 1 113 LYS 3.30 -0.14 1 114 ASN -0.00 0.06 1 115 LEU -1.60 0.48 1 117 ALA -2.30 0.15 1 118 GLU 1.80 0.53 1 119 ILE 2.00 -0.02 1 120 VAL -4.60 0.16 1 121 GLN 1.40 -0.14 1 122 ASP 2.10 -0.34 1 124 LEU -1.60 0.26 1 125 ARG -1.30 0.03 1 126 ILE -3.20 0.46 1 127 ASP -1.10 -0.23 1 129 ASP 5.30 -0.44 1 131 ARG 0.70 0.08 1 132 ALA -2.50 0.58 1 133 ALA 5.80 -0.44 1 134 ARG 4.80 -0.24 1 135 ASP 3.90 -0.14 1 136 ASP 4.50 -0.57 1 137 ILE 6.20 -0.82 1 138 VAL 4.60 -0.36 1 140 TRP 3.50 -0.72 1 141 ALA 3.20 -0.63 1 142 HIS 4.70 -0.24 1 143 ASP 5.70 -0.92 1 144 VAL 3.50 -0.44 1 145 ARG -0.70 0.08 1 147 ALA 1.50 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.10 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.85 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 3.28 _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 59 THR 1.00 -3.50 0 122 ASP 2.10 -3.50 0 87 LYS -8.10 -1.60 0 10 SER -4.70 -0.30 1 11 THR 3.70 0.90 1 12 THR -0.50 0.20 1 14 ASN 6.90 3.80 1 15 THR 9.10 1.80 1 16 GLU 3.70 -0.30 1 17 TYR 4.60 3.30 1 18 THR 7.30 0.00 1 19 ALA 3.00 0.70 1 20 GLU 3.90 2.60 1 21 THR 6.80 1.90 1 22 ILE 5.50 0.70 1 23 ALA 4.20 1.60 1 24 ARG 3.90 2.20 1 25 GLU 2.60 3.40 1 26 LEU 5.00 1.60 1 27 ALA 3.70 4.60 1 28 ASP 3.20 0.90 1 29 ALA -0.50 -0.50 1 31 TYR 1.20 0.60 1 32 GLU -0.70 -0.80 1 33 VAL -1.70 -2.00 1 34 ASP -3.60 -2.30 1 35 SER -2.60 0.50 1 36 ARG -5.50 -3.30 1 37 ASP -2.00 2.20 1 38 ALA 2.50 0.20 1 39 ALA 1.80 0.80 1 40 SER -1.60 0.20 1 41 VAL -3.30 -1.30 1 42 GLU -3.70 -0.20 1 43 ALA 1.80 1.40 1 46 LEU 3.20 -0.80 1 47 PHE -0.60 0.50 1 48 GLU 2.30 1.10 1 50 PHE 1.00 -0.70 1 51 ASP 0.70 -1.20 1 52 LEU -4.70 -3.80 1 53 VAL -3.10 -2.90 1 54 LEU -4.90 -2.30 1 55 LEU -4.80 -3.20 1 58 SER -2.10 -0.90 1 60 TRP -2.10 1.00 1 62 ASP 1.60 -0.20 1 63 ASP 0.00 -1.50 1 64 SER -2.40 -1.60 1 65 ILE 3.10 -1.00 1 66 GLU -4.30 -1.70 1 67 LEU -1.00 -2.60 1 68 GLN 5.20 1.70 1 69 ASP 3.80 1.80 1 70 ASP 1.90 -0.30 1 71 PHE -3.10 0.70 1 72 ILE 4.30 0.10 1 74 LEU 3.80 3.50 1 75 PHE 3.40 0.50 1 76 ASP -0.90 1.30 1 77 SER 2.00 0.10 1 78 LEU 3.90 0.40 1 79 GLU -0.70 1.70 1 80 GLU 0.60 0.40 1 81 THR 1.60 -0.70 1 83 ALA 4.80 1.80 1 84 GLN -2.30 -1.20 1 86 ARG 1.80 -1.00 1 88 VAL -4.40 -1.60 1 89 ALA -7.30 -2.20 1 91 PHE -2.60 -0.40 1 95 ASP 4.20 0.60 1 96 SER 2.70 0.30 1 97 SER 2.10 -0.70 1 98 TYR 2.50 -1.40 1 99 GLU 0.50 1.40 1 100 TYR -0.60 1.40 1 101 PHE 1.30 1.30 1 104 ALA 6.20 1.10 1 105 VAL 4.20 2.30 1 106 ASP 3.50 4.60 1 107 ALA 5.60 1.10 1 108 ILE 4.20 2.10 1 109 GLU 3.30 1.90 1 110 GLU 5.00 2.20 1 111 LYS 3.90 1.70 1 112 LEU 5.00 4.60 1 113 LYS 3.30 1.70 1 114 ASN -0.00 -0.80 1 115 LEU -1.60 -2.30 1 117 ALA -2.30 -2.30 1 118 GLU 1.80 3.00 1 119 ILE 2.00 -0.90 1 120 VAL -4.60 -2.90 1 121 GLN 1.40 0.90 1 124 LEU -1.60 -1.40 1 125 ARG -1.30 -2.80 1 126 ILE -3.20 0.40 1 127 ASP -1.10 2.10 1 129 ASP 5.30 3.10 1 131 ARG 0.70 -0.90 1 132 ALA -2.50 -0.30 1 133 ALA 5.80 1.50 1 134 ARG 4.80 3.10 1 135 ASP 3.90 2.70 1 136 ASP 4.50 1.00 1 137 ILE 6.20 1.90 1 138 VAL 4.60 2.00 1 140 TRP 3.50 1.10 1 141 ALA 3.20 4.20 1 142 HIS 4.70 3.00 1 143 ASP 5.70 0.70 1 144 VAL 3.50 2.00 1 145 ARG -0.70 -1.10 1 147 ALA 1.50 4.30 1 stop_ save_