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 bmr6493_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 -0.93 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 3.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 9.80 _LACS_plot.Line_2_terminator_val_y_2 10.02 _LACS_plot.Y_axis_chem_shift_offset -2.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 GLN 9.80 10.95 0 12 HIS 0.20 2.85 1 13 THR -0.60 1.75 1 14 GLU -0.80 1.75 1 16 SER -2.80 0.35 1 17 GLN -0.30 2.95 1 18 VAL 0.30 1.95 1 19 VAL -3.50 -0.35 1 20 LEU -3.17 0.48 1 21 ILE -2.20 0.85 1 22 THR -3.30 0.35 1 23 ASN 1.00 3.05 1 24 ILE -0.50 1.65 1 25 ASN -0.30 2.15 1 27 GLU 0.40 1.95 1 28 VAL 0.30 2.45 1 30 LYS 4.90 6.45 1 31 GLU 4.70 5.05 1 32 LYS 2.50 3.85 1 33 LEU 3.30 5.25 1 34 GLN 5.60 6.85 1 35 ALA 3.30 4.65 1 36 LEU 2.60 4.65 1 37 LEU 3.10 4.45 1 38 TYR 5.40 6.75 1 39 ALA 3.50 4.55 1 40 LEU 2.10 4.25 1 41 ALA 2.80 4.45 1 42 SER 3.80 4.45 1 43 SER 2.50 4.15 1 44 GLN -1.30 0.95 1 46 ASP 0.60 2.75 1 47 ILE -2.10 0.55 1 48 LEU 1.20 2.55 1 49 ASP -3.00 1.85 1 50 ILE -1.70 2.15 1 51 VAL -3.30 0.95 1 52 VAL -1.30 1.05 1 53 ASP -2.40 1.15 1 54 LEU 0.00 0.65 1 55 SER 1.90 3.95 1 56 ASP -0.50 1.95 1 57 ASP 2.10 3.55 1 58 ASN 0.60 3.25 1 59 SER -0.40 1.75 1 61 LYS -5.00 0.65 1 62 ALA -5.90 0.05 1 63 TYR -3.60 0.15 1 64 ILE -1.50 1.55 1 65 VAL 0.50 1.25 1 66 PHE -1.00 3.05 1 67 ALA 2.60 4.25 1 68 THR -6.40 -1.45 1 70 GLU 5.60 6.45 1 71 SER 5.00 6.05 1 72 ALA 2.90 4.55 1 73 GLN 4.30 5.55 1 74 ALA 3.50 4.55 1 75 PHE 4.20 6.55 1 76 VAL 6.40 7.05 1 77 GLU 2.40 4.25 1 78 ALA 1.60 3.35 1 79 PHE 2.00 2.85 1 80 GLN 1.80 4.35 1 82 TYR -1.30 2.85 1 84 PHE -0.80 2.85 1 85 GLN 3.10 2.05 1 87 ASN -3.40 0.95 1 89 LEU 0.50 3.15 1 90 VAL 1.10 2.05 1 91 ILE -2.30 1.35 1 92 THR -4.30 -0.35 1 93 PHE 0.30 2.95 1 94 SER -2.70 0.65 1 95 GLU -1.70 1.55 1 96 THR 1.10 2.75 1 98 GLN 0.50 2.35 1 99 SER 0.50 2.15 1 100 GLN 0.10 1.95 1 101 VAL 0.60 2.35 1 102 ALA -0.40 1.75 1 103 GLU 0.10 2.25 1 104 ASP 0.00 2.05 1 106 SER 0.20 2.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6493_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 5.47 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 2.53 _LACS_plot.Line_2_terminator_val_x_2 9.80 _LACS_plot.Line_2_terminator_val_y_2 0.22 _LACS_plot.Y_axis_chem_shift_offset -2.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 GLN 9.80 1.15 0 12 HIS 0.20 2.65 1 13 THR -0.60 2.35 1 14 GLU -0.80 2.55 1 16 SER -2.80 3.15 1 17 GLN -0.30 3.25 1 18 VAL 0.30 1.65 1 19 VAL -3.50 3.15 1 20 LEU -3.17 3.65 1 21 ILE -2.20 3.05 1 22 THR -3.30 3.65 1 23 ASN 1.00 2.05 1 24 ILE -0.50 2.15 1 25 ASN -0.30 2.45 1 27 GLU 0.40 1.55 1 28 VAL 0.30 2.15 1 30 LYS 4.90 1.55 1 31 GLU 4.70 0.35 1 32 LYS 2.50 1.35 1 33 LEU 3.30 1.95 1 34 GLN 5.60 1.25 1 35 ALA 3.30 1.35 1 36 LEU 2.60 2.05 1 37 LEU 3.10 1.35 1 38 TYR 5.40 1.35 1 39 ALA 3.50 1.05 1 40 LEU 2.10 2.15 1 41 ALA 2.80 1.65 1 42 SER 3.80 0.65 1 43 SER 2.50 1.65 1 44 GLN -1.30 2.25 1 46 ASP 0.60 2.15 1 47 ILE -2.10 2.65 1 48 LEU 1.20 1.35 1 49 ASP -3.00 4.85 1 50 ILE -1.70 3.85 1 51 VAL -3.30 4.25 1 52 VAL -1.30 2.35 1 53 ASP -2.40 3.55 1 54 LEU 0.00 0.65 1 55 SER 1.90 2.05 1 56 ASP -0.50 2.45 1 57 ASP 2.10 1.45 1 58 ASN 0.60 2.65 1 59 SER -0.40 2.15 1 61 LYS -5.00 5.65 1 62 ALA -5.90 5.95 1 63 TYR -3.60 3.75 1 64 ILE -1.50 3.05 1 65 VAL 0.50 0.75 1 66 PHE -1.00 4.05 1 67 ALA 2.60 1.65 1 68 THR -6.40 4.95 1 70 GLU 5.60 0.85 1 71 SER 5.00 1.05 1 72 ALA 2.90 1.65 1 73 GLN 4.30 1.25 1 74 ALA 3.50 1.05 1 75 PHE 4.20 2.35 1 76 VAL 6.40 0.65 1 77 GLU 2.40 1.85 1 78 ALA 1.60 1.75 1 79 PHE 2.00 0.85 1 80 GLN 1.80 2.55 1 82 TYR -1.30 4.15 1 84 PHE -0.80 3.65 1 85 GLN 3.10 -1.05 1 87 ASN -3.40 4.35 1 89 LEU 0.50 2.65 1 90 VAL 1.10 0.95 1 91 ILE -2.30 3.65 1 92 THR -4.30 3.95 1 93 PHE 0.30 2.65 1 94 SER -2.70 3.35 1 95 GLU -1.70 3.25 1 96 THR 1.10 1.65 1 98 GLN 0.50 1.85 1 99 SER 0.50 1.65 1 100 GLN 0.10 1.85 1 101 VAL 0.60 1.75 1 102 ALA -0.40 2.15 1 103 GLU 0.10 2.15 1 104 ASP 0.00 2.05 1 106 SER 0.20 2.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6493_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 0.63 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.29 _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 9.80 _LACS_plot.Line_2_terminator_val_y_2 -1.15 _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 72 ALA 2.90 -1.50 0 69 GLN 9.80 -0.51 0 12 HIS 0.20 -0.10 1 13 THR -0.60 -0.10 1 14 GLU -0.80 -0.20 1 16 SER -2.80 -0.06 1 17 GLN -0.30 -0.02 1 18 VAL 0.30 0.73 1 19 VAL -3.50 0.62 1 20 LEU -3.17 0.46 1 21 ILE -2.20 0.72 1 22 THR -3.30 0.51 1 23 ASN 1.00 -0.43 1 24 ILE -0.50 -0.33 1 25 ASN -0.30 -0.55 1 27 GLU 0.40 -0.24 1 28 VAL 0.30 -0.32 1 30 LYS 4.90 -0.62 1 31 GLU 4.70 -0.30 1 32 LYS 2.50 -0.12 1 33 LEU 3.30 -0.47 1 34 GLN 5.60 -0.83 1 35 ALA 3.30 -0.22 1 36 LEU 2.60 -0.20 1 37 LEU 3.10 -0.55 1 38 TYR 5.40 -1.02 1 39 ALA 3.50 -0.41 1 40 LEU 2.10 -0.45 1 41 ALA 2.80 -0.41 1 42 SER 3.80 -0.07 1 43 SER 2.50 -0.22 1 44 GLN -1.30 0.06 1 46 ASP 0.60 -0.11 1 47 ILE -2.10 -0.30 1 48 LEU 1.20 -0.06 1 49 ASP -3.00 0.00 1 50 ILE -1.70 0.54 1 51 VAL -3.30 0.10 1 52 VAL -1.30 0.26 1 53 ASP -2.40 0.16 1 54 LEU 0.00 0.36 1 55 SER 1.90 -0.31 1 56 ASP -0.50 -0.02 1 57 ASP 2.10 -0.35 1 58 ASN 0.60 -0.17 1 59 SER -0.40 -0.06 1 61 LYS -5.00 0.92 1 62 ALA -5.90 0.78 1 63 TYR -3.60 0.99 1 64 ILE -1.50 0.14 1 65 VAL 0.50 0.22 1 66 PHE -1.00 0.01 1 67 ALA 2.60 -0.33 1 68 THR -6.40 0.43 1 70 GLU 5.60 -0.43 1 71 SER 5.00 -0.44 1 73 GLN 4.30 -0.37 1 74 ALA 3.50 -0.32 1 75 PHE 4.20 -0.63 1 76 VAL 6.40 -1.11 1 77 GLU 2.40 -0.53 1 78 ALA 1.60 -0.48 1 79 PHE 2.00 -0.23 1 80 GLN 1.80 -0.49 1 82 TYR -1.30 -0.34 1 84 PHE -0.80 0.06 1 85 GLN 3.10 -0.95 1 87 ASN -3.40 0.26 1 89 LEU 0.50 -0.13 1 90 VAL 1.10 0.11 1 91 ILE -2.30 0.94 1 92 THR -4.30 0.12 1 93 PHE 0.30 0.35 1 94 SER -2.70 0.06 1 95 GLU -1.70 0.07 1 96 THR 1.10 -0.42 1 98 GLN 0.50 -0.27 1 99 SER 0.50 -0.23 1 100 GLN 0.10 -0.10 1 101 VAL 0.60 -0.19 1 102 ALA -0.40 -0.12 1 103 GLU 0.10 -0.24 1 104 ASP 0.00 -0.19 1 106 SER 0.20 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6493_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.40 _LACS_plot.Line_1_terminator_val_y_1 -1.82 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 2.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 9.80 _LACS_plot.Line_2_terminator_val_y_2 5.32 _LACS_plot.Y_axis_chem_shift_offset -1.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 SER -2.70 5.00 0 12 HIS 0.20 2.20 1 13 THR -0.60 0.45 1 16 SER -2.80 -0.15 1 17 GLN -0.30 1.25 1 18 VAL 0.30 0.45 1 19 VAL -3.50 -1.75 1 20 LEU -3.17 -1.45 1 21 ILE -2.20 0.35 1 22 THR -3.30 0.25 1 23 ASN 1.00 1.55 1 24 ILE -0.50 0.95 1 27 GLU 0.40 1.50 1 30 LYS 4.90 2.55 1 31 GLU 4.70 3.85 1 32 LYS 2.50 2.65 1 33 LEU 3.30 2.05 1 34 GLN 5.60 2.45 1 35 ALA 3.30 5.05 1 36 LEU 2.60 4.25 1 37 LEU 3.10 2.75 1 38 TYR 5.40 3.85 1 39 ALA 3.50 3.45 1 40 LEU 2.10 2.75 1 41 ALA 2.80 2.65 1 42 SER 3.80 2.45 1 43 SER 2.50 2.05 1 44 GLN -1.30 1.25 1 46 ASP 0.60 0.95 1 47 ILE -2.10 1.15 1 48 LEU 1.20 -0.45 1 49 ASP -3.00 -1.05 1 50 ILE -1.70 -1.25 1 51 VAL -3.30 0.05 1 52 VAL -1.30 -0.75 1 53 ASP -2.40 0.85 1 54 LEU 0.00 0.65 1 55 SER 1.90 1.35 1 56 ASP -0.50 1.15 1 57 ASP 2.10 1.35 1 58 ASN 0.60 1.35 1 59 SER -0.40 0.85 1 61 LYS -5.00 -1.05 1 62 ALA -5.90 -2.15 1 63 TYR -3.60 1.05 1 64 ILE -1.50 -1.15 1 65 VAL 0.50 0.85 1 66 PHE -1.00 1.35 1 67 ALA 2.60 1.35 1 68 THR -6.40 0.95 1 69 GLN 9.80 3.05 1 70 GLU 5.60 4.75 1 71 SER 5.00 4.25 1 72 ALA 2.90 2.55 1 73 GLN 4.30 3.45 1 74 ALA 3.50 3.75 1 75 PHE 4.20 1.45 1 76 VAL 6.40 2.45 1 77 GLU 2.40 3.45 1 78 ALA 1.60 3.55 1 79 PHE 2.00 0.55 1 80 GLN 1.80 3.55 1 84 PHE -0.80 -0.35 1 85 GLN 3.10 0.85 1 89 LEU 0.50 0.85 1 90 VAL 1.10 0.45 1 91 ILE -2.30 0.95 1 92 THR -4.30 -0.15 1 93 PHE 0.30 1.95 1 95 GLU -1.70 -2.20 1 98 GLN 0.50 1.40 1 99 SER 0.50 3.20 1 100 GLN 0.10 1.05 1 101 VAL 0.60 0.75 1 102 ALA -0.40 -0.90 1 103 GLU 0.10 1.25 1 104 ASP 0.00 3.15 1 stop_ save_