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 bmr5536_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.89 _LACS_plot.Line_1_terminator_val_y_1 -3.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 5.41 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 ALA -7.99 -0.75 0 10 GLU -4.98 -0.43 1 12 ALA -6.55 -0.95 1 13 THR -2.89 -1.21 1 14 LEU 1.12 1.77 1 15 ILE 2.74 2.87 1 16 LYS -2.69 0.31 1 17 ALA 0.47 -0.37 1 18 ILE 2.63 2.23 1 19 ASP 0.85 -0.33 1 21 ASP -3.17 -2.08 1 22 THR 0.51 0.57 1 23 VAL -5.11 -1.68 1 24 LYS -2.32 -0.58 1 25 LEU -5.51 -2.03 1 26 MET 0.12 -0.85 1 27 TYR -3.50 -1.12 1 28 LYS 3.73 0.78 1 30 GLN -4.26 -1.58 1 32 MET -5.90 0.03 1 33 THR 3.00 1.33 1 34 PHE -3.56 -0.97 1 35 ARG -6.13 -3.48 1 36 LEU 1.64 0.52 1 37 LEU -0.15 0.56 1 38 LEU -0.40 -0.27 1 39 VAL -1.46 -0.84 1 40 ASP -0.45 -0.03 1 41 THR -0.08 -0.32 1 43 GLU 0.66 0.61 1 44 THR 0.54 0.34 1 45 LYS 0.29 0.15 1 46 HIS 0.13 0.00 1 48 LYS 0.07 0.23 1 49 LYS 0.02 0.22 1 51 VAL 0.23 0.09 1 52 GLU -0.09 0.16 1 53 LYS -0.21 0.20 1 54 TYR -0.35 -0.18 1 57 GLU 3.71 2.63 1 58 ALA 2.66 2.58 1 59 SER 4.61 3.47 1 60 ALA 2.92 2.37 1 61 PHE 3.99 4.10 1 62 THR 6.84 5.37 1 63 LYS 3.90 4.04 1 64 LYS 3.97 3.03 1 65 MET 4.30 3.93 1 66 VAL 3.66 2.46 1 67 GLU 3.14 2.64 1 68 ASN -0.09 0.24 1 69 ALA -1.38 -0.89 1 70 LYS 2.31 1.60 1 71 LYS -3.06 -0.71 1 72 ILE -2.35 -2.54 1 73 GLU -8.89 -2.72 1 74 VAL -6.51 -3.14 1 75 GLU -6.12 -1.52 1 76 PHE -3.32 -1.25 1 77 ASP -1.58 -0.92 1 78 LYS 3.23 2.07 1 80 GLN -1.51 -0.24 1 81 ARG -0.40 -0.58 1 82 THR -1.80 -0.80 1 83 ASP -1.32 -1.38 1 84 LYS 3.52 2.15 1 85 TYR -0.67 -1.14 1 87 ARG -1.07 -0.32 1 88 TRP -2.13 -1.31 1 89 LEU 0.52 0.37 1 91 TYR -1.09 -0.48 1 92 ILE -2.92 -1.80 1 93 TYR -4.16 -1.68 1 94 ALA -4.78 -2.59 1 95 ASP 3.64 2.27 1 97 LYS -2.11 -1.74 1 98 MET -0.87 1.22 1 99 VAL 3.94 3.27 1 101 GLU 1.19 1.89 1 102 ALA 2.99 2.46 1 103 LEU 2.25 2.88 1 104 VAL 3.46 2.82 1 105 ARG 3.02 2.45 1 106 GLN 0.70 0.21 1 108 LEU -0.83 -0.40 1 109 ALA -1.63 -0.66 1 110 LYS 0.39 1.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5536_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.89 _LACS_plot.Line_1_terminator_val_y_1 5.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 ALA -7.99 7.24 0 10 GLU -4.98 4.55 1 12 ALA -6.55 5.60 1 13 THR -2.89 1.68 1 14 LEU 1.12 0.65 1 15 ILE 2.74 0.13 1 16 LYS -2.69 3.00 1 17 ALA 0.47 -0.84 1 18 ILE 2.63 -0.40 1 19 ASP 0.85 -1.18 1 21 ASP -3.17 1.09 1 22 THR 0.51 0.06 1 23 VAL -5.11 3.43 1 24 LYS -2.32 1.74 1 25 LEU -5.51 3.48 1 26 MET 0.12 -0.97 1 27 TYR -3.50 2.38 1 28 LYS 3.73 -2.95 1 30 GLN -4.26 2.68 1 32 MET -5.90 5.93 1 33 THR 3.00 -1.67 1 34 PHE -3.56 2.59 1 35 ARG -6.13 2.65 1 36 LEU 1.64 -1.12 1 37 LEU -0.15 0.71 1 38 LEU -0.40 0.13 1 39 VAL -1.46 0.62 1 40 ASP -0.45 0.42 1 41 THR -0.08 -0.24 1 43 GLU 0.66 -0.05 1 44 THR 0.54 -0.20 1 45 LYS 0.29 -0.14 1 46 HIS 0.13 -0.13 1 48 LYS 0.07 0.16 1 49 LYS 0.02 0.20 1 51 VAL 0.23 -0.14 1 52 GLU -0.09 0.25 1 53 LYS -0.21 0.41 1 54 TYR -0.35 0.17 1 57 GLU 3.71 -1.08 1 58 ALA 2.66 -0.08 1 59 SER 4.61 -1.14 1 60 ALA 2.92 -0.55 1 61 PHE 3.99 0.11 1 62 THR 6.84 -1.47 1 63 LYS 3.90 0.14 1 64 LYS 3.97 -0.94 1 65 MET 4.30 -0.37 1 66 VAL 3.66 -1.20 1 67 GLU 3.14 -0.50 1 68 ASN -0.09 0.33 1 69 ALA -1.38 0.49 1 70 LYS 2.31 -0.71 1 71 LYS -3.06 2.35 1 72 ILE -2.35 -0.19 1 73 GLU -8.89 6.17 1 74 VAL -6.51 3.37 1 75 GLU -6.12 4.60 1 76 PHE -3.32 2.07 1 77 ASP -1.58 0.66 1 78 LYS 3.23 -1.16 1 80 GLN -1.51 1.27 1 81 ARG -0.40 -0.18 1 82 THR -1.80 1.00 1 83 ASP -1.32 -0.06 1 84 LYS 3.52 -1.37 1 85 TYR -0.67 -0.47 1 87 ARG -1.07 0.75 1 88 TRP -2.13 0.82 1 89 LEU 0.52 -0.15 1 91 TYR -1.09 0.61 1 92 ILE -2.92 1.12 1 93 TYR -4.16 2.48 1 94 ALA -4.78 2.19 1 95 ASP 3.64 -1.37 1 97 LYS -2.11 0.37 1 98 MET -0.87 2.09 1 99 VAL 3.94 -0.67 1 101 GLU 1.19 0.70 1 102 ALA 2.99 -0.53 1 103 LEU 2.25 0.63 1 104 VAL 3.46 -0.64 1 105 ARG 3.02 -0.57 1 106 GLN 0.70 -0.49 1 108 LEU -0.83 0.43 1 109 ALA -1.63 0.97 1 110 LYS 0.39 0.96 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5536_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.89 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 22 THR 0.51 1.11 0 10 GLU -4.98 0.43 1 12 ALA -6.55 0.67 1 13 THR -2.89 0.37 1 14 LEU 1.12 -0.18 1 15 ILE 2.74 0.06 1 16 LYS -2.69 0.08 1 17 ALA 0.47 0.24 1 18 ILE 2.63 -0.19 1 19 ASP 0.85 -0.10 1 21 ASP -3.17 0.29 1 23 VAL -5.11 0.48 1 24 LYS -2.32 1.15 1 25 LEU -5.51 0.90 1 26 MET 0.12 0.38 1 27 TYR -3.50 0.41 1 28 LYS 3.73 -0.75 1 30 GLN -4.26 0.40 1 32 MET -5.90 0.09 1 33 THR 3.00 0.25 1 34 PHE -3.56 0.83 1 35 ARG -6.13 1.21 1 36 LEU 1.64 0.04 1 37 LEU -0.15 -0.18 1 38 LEU -0.40 0.24 1 39 VAL -1.46 0.19 1 40 ASP -0.45 0.10 1 41 THR -0.08 0.12 1 43 GLU 0.66 -0.07 1 44 THR 0.54 -0.06 1 45 LYS 0.29 -0.04 1 46 HIS 0.13 -0.03 1 48 LYS 0.07 0.01 1 49 LYS 0.02 0.03 1 51 VAL 0.23 -0.01 1 52 GLU -0.09 -0.09 1 53 LYS -0.21 -0.05 1 54 TYR -0.35 0.13 1 57 GLU 3.71 -0.08 1 58 ALA 2.66 -0.12 1 59 SER 4.61 -0.62 1 60 ALA 2.92 -0.20 1 61 PHE 3.99 -0.53 1 62 THR 6.84 -0.83 1 63 LYS 3.90 -0.72 1 64 LYS 3.97 -0.36 1 65 MET 4.30 -0.54 1 66 VAL 3.66 -0.04 1 67 GLU 3.14 -0.39 1 68 ASN -0.09 -0.02 1 69 ALA -1.38 0.18 1 70 LYS 2.31 0.07 1 71 LYS -3.06 0.33 1 72 ILE -2.35 1.13 1 73 GLU -8.89 0.94 1 74 VAL -6.51 1.10 1 75 GLU -6.12 0.71 1 76 PHE -3.32 0.47 1 77 ASP -1.58 0.01 1 78 LYS 3.23 -0.14 1 80 GLN -1.51 0.10 1 81 ARG -0.40 0.12 1 82 THR -1.80 -0.21 1 83 ASP -1.32 -0.06 1 84 LYS 3.52 -0.33 1 85 TYR -0.67 0.07 1 87 ARG -1.07 0.14 1 88 TRP -2.13 -0.37 1 89 LEU 0.52 0.75 1 90 ALA -7.99 0.66 1 91 TYR -1.09 0.17 1 92 ILE -2.92 0.73 1 93 TYR -4.16 0.58 1 94 ALA -4.78 0.70 1 95 ASP 3.64 -0.20 1 97 LYS -2.11 0.36 1 98 MET -0.87 -0.48 1 99 VAL 3.94 -0.34 1 101 GLU 1.19 -0.29 1 102 ALA 2.99 -0.16 1 103 LEU 2.25 -0.70 1 104 VAL 3.46 -0.27 1 105 ARG 3.02 -0.22 1 106 GLN 0.70 -0.16 1 108 LEU -0.83 -0.01 1 109 ALA -1.63 0.09 1 110 LYS 0.39 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5536_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.89 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.01 _LACS_plot.Line_2_terminator_val_x_2 6.84 _LACS_plot.Line_2_terminator_val_y_2 2.41 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 LYS 0.39 4.15 0 10 GLU -4.98 -1.60 1 12 ALA -6.55 -2.33 1 13 THR -2.89 -0.51 1 14 LEU 1.12 -0.76 1 15 ILE 2.74 -0.32 1 16 LYS -2.69 -2.52 1 17 ALA 0.47 -2.33 1 18 ILE 2.63 -0.85 1 19 ASP 0.85 0.33 1 21 ASP -3.17 -0.80 1 22 THR 0.51 -0.58 1 23 VAL -5.11 -3.82 1 24 LYS -2.32 -1.01 1 25 LEU -5.51 -3.29 1 26 MET 0.12 -1.12 1 27 TYR -3.50 -2.09 1 28 LYS 3.73 0.39 1 30 GLN -4.26 -0.86 1 32 MET -5.90 -2.70 1 33 THR 3.00 -2.09 1 34 PHE -3.56 -1.54 1 35 ARG -6.13 -0.69 1 36 LEU 1.64 -1.25 1 37 LEU -0.15 -0.61 1 38 LEU -0.40 -1.17 1 39 VAL -1.46 -1.32 1 40 ASP -0.45 -0.49 1 41 THR -0.08 0.35 1 43 GLU 0.66 0.27 1 44 THR 0.54 -0.28 1 45 LYS 0.29 -0.49 1 46 HIS 0.13 -0.33 1 48 LYS 0.07 -0.07 1 49 LYS 0.02 0.29 1 51 VAL 0.23 -0.08 1 52 GLU -0.09 -0.40 1 53 LYS -0.21 -0.71 1 54 TYR -0.35 0.48 1 57 GLU 3.71 2.39 1 58 ALA 2.66 1.10 1 59 SER 4.61 1.68 1 60 ALA 2.92 1.62 1 61 PHE 3.99 1.94 1 62 THR 6.84 1.02 1 63 LYS 3.90 0.52 1 64 LYS 3.97 2.24 1 65 MET 4.30 2.90 1 66 VAL 3.66 1.28 1 67 GLU 3.14 1.37 1 68 ASN -0.09 -0.55 1 69 ALA -1.38 0.14 1 70 LYS 2.31 1.33 1 71 LYS -3.06 -1.81 1 72 ILE -2.35 -0.71 1 73 GLU -8.89 -1.95 1 74 VAL -6.51 -2.52 1 75 GLU -6.12 -2.09 1 76 PHE -3.32 -2.81 1 77 ASP -1.58 1.72 1 78 LYS 3.23 0.51 1 80 GLN -1.51 -2.07 1 81 ARG -0.40 0.79 1 82 THR -1.80 0.29 1 83 ASP -1.32 2.09 1 84 LYS 3.52 -0.07 1 85 TYR -0.67 0.16 1 87 ARG -1.07 -0.49 1 88 TRP -2.13 0.38 1 89 LEU 0.52 1.83 1 90 ALA -7.99 -1.10 1 91 TYR -1.09 -1.34 1 92 ILE -2.92 -3.03 1 93 TYR -4.16 -1.74 1 94 ALA -4.78 -1.90 1 95 ASP 3.64 -0.05 1 97 LYS -2.11 -0.43 1 98 MET -0.87 1.28 1 101 GLU 1.19 0.64 1 102 ALA 2.99 1.63 1 103 LEU 2.25 0.92 1 104 VAL 3.46 2.98 1 105 ARG 3.02 1.40 1 106 GLN 0.70 0.41 1 108 LEU -0.83 -1.44 1 109 ALA -1.63 -1.89 1 stop_ save_