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 bmr17865_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.66 _LACS_plot.Line_2_terminator_val_x_2 6.16 _LACS_plot.Line_2_terminator_val_y_2 4.96 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 TYR -5.58 -2.02 0 10 TYR -0.07 0.07 1 12 TYR 0.72 0.64 1 13 ASP 0.13 0.02 1 15 LYS -0.01 -0.10 1 17 LEU 0.65 0.34 1 18 ASP -2.46 -1.34 1 19 ALA 3.37 2.66 1 20 SER 4.33 3.33 1 21 PHE 2.83 3.11 1 23 ARG 3.64 2.91 1 24 THR 0.78 -0.23 1 25 ALA 0.59 -0.12 1 27 SER 3.47 2.50 1 28 ARG 0.40 -0.26 1 29 GLU 5.58 4.62 1 30 LYS 5.73 4.23 1 31 ASP 3.80 3.12 1 33 ARG 5.45 4.39 1 34 LYS 4.32 3.33 1 35 ASP 3.93 3.50 1 36 VAL 6.17 4.93 1 37 GLN 3.61 2.58 1 38 ALA 0.84 0.64 1 40 ASP 2.31 2.52 1 41 LYS -0.43 -0.93 1 42 LYS 0.67 1.63 1 44 ASP -2.43 -2.09 1 45 ASP 3.03 2.18 1 46 GLN -0.26 -0.33 1 48 ARG -0.37 -0.71 1 49 GLU -0.30 0.58 1 50 THR -2.36 -1.21 1 51 ALA 4.26 3.15 1 53 ALA 3.04 3.13 1 54 LYS 3.98 3.53 1 56 ILE 4.64 4.18 1 57 ARG 4.70 3.70 1 58 GLU 1.57 1.70 1 59 LYS 2.29 2.84 1 60 TYR 0.20 -0.70 1 61 LYS 1.24 0.74 1 63 ALA -0.32 -0.22 1 64 VAL -0.80 -0.22 1 65 VAL -2.01 -1.04 1 66 TYR -2.55 0.18 1 68 TYR 3.53 3.15 1 69 ASP -0.26 -1.19 1 71 LYS 0.75 -0.09 1 73 LEU -1.04 -1.17 1 74 ASP -0.23 -0.34 1 75 LEU 0.25 -1.47 1 77 PHE 4.10 1.44 1 79 THR 4.12 3.38 1 80 LEU 1.46 0.35 1 81 ALA -0.17 -0.45 1 83 ILE 2.70 2.16 1 84 ARG 0.56 -0.06 1 85 GLU 5.16 4.13 1 86 VAL 5.92 4.23 1 87 ASP 3.84 3.22 1 89 ARG 5.38 4.19 1 90 LYS 4.25 3.37 1 91 ASP 3.49 3.04 1 92 ALA 2.47 2.55 1 93 GLN 3.78 2.78 1 94 THR 2.88 2.80 1 96 ASP 0.39 2.02 1 97 LYS 3.99 1.64 1 98 LYS -0.43 -0.30 1 99 TYR 2.84 2.31 1 100 GLU 1.74 -0.84 1 101 SER 4.64 4.14 1 102 ASP 4.59 3.21 1 103 LYS 3.97 3.27 1 105 LEU 2.57 2.27 1 106 ASN 4.24 3.16 1 107 ALA 3.74 2.46 1 108 ILE 4.60 2.25 1 109 LYS 4.85 3.91 1 110 GLU 2.31 2.05 1 111 LYS 2.41 2.55 1 112 TYR 0.93 0.46 1 113 LYS 1.56 1.08 1 115 VAL -0.20 0.16 1 116 VAL -0.72 -0.47 1 117 ASP -0.45 0.02 1 119 ASN 0.17 0.33 1 122 ALA 0.15 1.23 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17865_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 3.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 6.16 _LACS_plot.Line_2_terminator_val_y_2 -1.20 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 TYR -5.58 3.56 0 10 TYR -0.07 0.14 1 12 TYR 0.72 -0.08 1 13 ASP 0.13 -0.11 1 15 LYS -0.01 -0.09 1 17 LEU 0.65 -0.31 1 18 ASP -2.46 1.12 1 19 ALA 3.37 -0.71 1 20 SER 4.33 -1.00 1 21 PHE 2.83 0.28 1 23 ARG 3.64 -0.73 1 24 THR 0.78 -1.01 1 25 ALA 0.59 -0.71 1 27 SER 3.47 -0.97 1 28 ARG 0.40 -0.66 1 29 GLU 5.58 -0.96 1 30 LYS 5.73 -1.50 1 31 ASP 3.80 -0.68 1 33 ARG 5.45 -1.06 1 34 LYS 4.32 -0.99 1 35 ASP 3.93 -0.43 1 36 VAL 6.17 -1.24 1 37 GLN 3.61 -1.03 1 38 ALA 0.84 -0.20 1 40 ASP 2.31 0.21 1 41 LYS -0.43 -0.50 1 42 LYS 0.67 0.96 1 44 ASP -2.43 0.34 1 45 ASP 3.03 -0.85 1 46 GLN -0.26 -0.07 1 48 ARG -0.37 -0.34 1 49 GLU -0.30 0.88 1 50 THR -2.36 1.15 1 51 ALA 4.26 -1.11 1 53 ALA 3.04 0.09 1 54 LYS 3.98 -0.45 1 56 ILE 4.64 -0.46 1 57 ARG 4.70 -1.00 1 58 GLU 1.57 0.13 1 59 LYS 2.29 0.55 1 60 TYR 0.20 -0.90 1 61 LYS 1.24 -0.50 1 63 ALA -0.32 0.10 1 64 VAL -0.80 0.58 1 65 VAL -2.01 0.97 1 66 TYR -2.55 2.73 1 68 TYR 3.53 -0.38 1 69 ASP -0.26 -0.93 1 71 LYS 0.75 -0.84 1 73 LEU -1.04 -0.13 1 74 ASP -0.23 -0.11 1 75 LEU 0.25 -1.72 1 77 PHE 4.10 -2.66 1 79 THR 4.12 -0.74 1 80 LEU 1.46 -1.11 1 81 ALA -0.17 -0.28 1 83 ILE 2.70 -0.54 1 84 ARG 0.56 -0.62 1 85 GLU 5.16 -1.03 1 86 VAL 5.92 -1.69 1 87 ASP 3.84 -0.62 1 89 ARG 5.38 -1.19 1 90 LYS 4.25 -0.88 1 91 ASP 3.49 -0.45 1 92 ALA 2.47 0.08 1 93 GLN 3.78 -1.00 1 94 THR 2.88 -0.08 1 96 ASP 0.39 1.63 1 97 LYS 3.99 -2.35 1 98 LYS -0.43 0.13 1 99 TYR 2.84 -0.53 1 100 GLU 1.74 -2.58 1 101 SER 4.64 -0.50 1 102 ASP 4.59 -1.38 1 103 LYS 3.97 -0.70 1 105 LEU 2.57 -0.30 1 106 ASN 4.24 -1.08 1 107 ALA 3.74 -1.28 1 108 ILE 4.60 -2.35 1 109 LYS 4.85 -0.94 1 110 GLU 2.31 -0.26 1 111 LYS 2.41 0.14 1 112 TYR 0.93 -0.47 1 113 LYS 1.56 -0.48 1 115 VAL -0.20 0.36 1 116 VAL -0.72 0.25 1 117 ASP -0.45 0.47 1 119 ASN 0.17 0.16 1 122 ALA 0.15 1.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17865_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 0.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _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 6.16 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 28 ARG 0.40 0.54 0 43 TYR -5.58 0.71 0 10 TYR -0.07 -0.03 1 12 TYR 0.72 -0.07 1 13 ASP 0.13 -0.15 1 15 LYS -0.01 -0.03 1 17 LEU 0.65 -0.29 1 18 ASP -2.46 -0.14 1 19 ALA 3.37 -0.33 1 20 SER 4.33 -0.32 1 21 PHE 2.83 -0.39 1 23 ARG 3.64 -0.26 1 24 THR 0.78 0.03 1 25 ALA 0.59 0.08 1 27 SER 3.47 -0.09 1 29 GLU 5.58 -0.75 1 30 LYS 5.73 -0.49 1 31 ASP 3.80 -0.33 1 33 ARG 5.45 -0.66 1 34 LYS 4.32 -0.28 1 35 ASP 3.93 -0.21 1 36 VAL 6.17 -0.72 1 37 GLN 3.61 -0.40 1 38 ALA 0.84 -0.08 1 40 ASP 2.31 -0.31 1 41 LYS -0.43 0.20 1 42 LYS 0.67 -0.40 1 44 ASP -2.43 0.00 1 45 ASP 3.03 -0.22 1 46 GLN -0.26 0.12 1 48 ARG -0.37 0.15 1 49 GLU -0.30 0.13 1 50 THR -2.36 -0.14 1 51 ALA 4.26 -0.28 1 53 ALA 3.04 -0.47 1 54 LYS 3.98 -0.52 1 56 ILE 4.64 -0.38 1 57 ARG 4.70 -0.40 1 58 GLU 1.57 -0.32 1 59 LYS 2.29 -0.49 1 60 TYR 0.20 0.15 1 61 LYS 1.24 -0.10 1 63 ALA -0.32 -0.07 1 64 VAL -0.80 -0.18 1 65 VAL -2.01 0.02 1 66 TYR -2.55 0.22 1 68 TYR 3.53 -0.57 1 69 ASP -0.26 -0.35 1 71 LYS 0.75 0.17 1 73 LEU -1.04 0.02 1 74 ASP -0.23 -0.04 1 75 LEU 0.25 0.03 1 77 PHE 4.10 -0.24 1 79 THR 4.12 -0.37 1 80 LEU 1.46 -0.01 1 81 ALA -0.17 0.21 1 83 ILE 2.70 0.10 1 84 ARG 0.56 0.41 1 85 GLU 5.16 -0.73 1 86 VAL 5.92 -0.61 1 87 ASP 3.84 -0.34 1 89 ARG 5.38 -0.70 1 90 LYS 4.25 -0.29 1 91 ASP 3.49 -0.13 1 92 ALA 2.47 -0.30 1 93 GLN 3.78 -0.40 1 94 THR 2.88 -0.11 1 96 ASP 0.39 0.04 1 97 LYS 3.99 -0.74 1 98 LYS -0.43 -0.03 1 99 TYR 2.84 -0.65 1 100 GLU 1.74 -0.08 1 101 SER 4.64 -0.51 1 102 ASP 4.59 -0.23 1 103 LYS 3.97 -0.32 1 105 LEU 2.57 -0.25 1 106 ASN 4.24 -0.50 1 107 ALA 3.74 -0.10 1 108 ILE 4.60 -0.24 1 109 LYS 4.85 -0.73 1 110 GLU 2.31 -0.42 1 111 LYS 2.41 -0.41 1 112 TYR 0.93 -0.03 1 113 LYS 1.56 -0.11 1 115 VAL -0.20 -0.02 1 116 VAL -0.72 0.00 1 117 ASP -0.45 -0.12 1 119 ASN 0.17 -0.10 1 122 ALA 0.15 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17865_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -1.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.54 _LACS_plot.Line_2_terminator_val_x_2 6.16 _LACS_plot.Line_2_terminator_val_y_2 2.52 _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 84 ARG 0.56 5.04 0 10 TYR -0.07 0.41 1 12 TYR 0.72 -0.04 1 13 ASP 0.13 0.24 1 17 LEU 0.65 -2.63 1 18 ASP -2.46 -0.35 1 19 ALA 3.37 1.68 1 20 SER 4.33 2.59 1 21 PHE 2.83 1.05 1 23 ARG 3.64 1.60 1 24 THR 0.78 0.06 1 25 ALA 0.59 0.75 1 27 SER 3.47 1.17 1 28 ARG 0.40 -0.50 1 29 GLU 5.58 0.92 1 30 LYS 5.73 2.61 1 31 ASP 3.80 1.09 1 33 ARG 5.45 3.33 1 34 LYS 4.32 2.62 1 35 ASP 3.93 3.41 1 36 VAL 6.17 2.04 1 37 GLN 3.61 1.29 1 38 ALA 0.84 -0.58 1 40 ASP 2.31 0.20 1 41 LYS -0.43 -1.01 1 42 LYS 0.67 -1.94 1 43 TYR -5.58 -0.13 1 44 ASP -2.43 1.51 1 45 ASP 3.03 0.75 1 46 GLN -0.26 0.27 1 48 ARG -0.37 0.55 1 49 GLU -0.30 1.50 1 50 THR -2.36 0.47 1 51 ALA 4.26 4.11 1 53 ALA 3.04 0.94 1 54 LYS 3.98 3.01 1 56 ILE 4.64 0.93 1 57 ARG 4.70 2.36 1 58 GLU 1.57 1.62 1 59 LYS 2.29 1.33 1 60 TYR 0.20 -1.17 1 63 ALA -0.32 -0.50 1 64 VAL -0.80 -1.51 1 65 VAL -2.01 -1.96 1 66 TYR -2.55 0.76 1 68 TYR 3.53 0.13 1 69 ASP -0.26 0.76 1 73 LEU -1.04 -1.25 1 74 ASP -0.23 -0.48 1 75 LEU 0.25 0.83 1 77 PHE 4.10 2.08 1 79 THR 4.12 1.92 1 80 LEU 1.46 -0.39 1 81 ALA -0.17 0.97 1 85 GLU 5.16 1.20 1 86 VAL 5.92 1.41 1 87 ASP 3.84 0.61 1 89 ARG 5.38 2.72 1 90 LYS 4.25 3.49 1 91 ASP 3.49 3.12 1 92 ALA 2.47 0.99 1 93 GLN 3.78 2.75 1 94 THR 2.88 1.16 1 97 LYS 3.99 -1.09 1 98 LYS -0.43 0.37 1 99 TYR 2.84 1.23 1 100 GLU 1.74 0.79 1 101 SER 4.64 1.45 1 102 ASP 4.59 1.93 1 103 LYS 3.97 2.80 1 105 LEU 2.57 1.77 1 106 ASN 4.24 2.63 1 107 ALA 3.74 2.93 1 108 ILE 4.60 1.71 1 109 LYS 4.85 2.96 1 110 GLU 2.31 1.64 1 111 LYS 2.41 1.00 1 112 TYR 0.93 -1.21 1 115 VAL -0.20 -0.09 1 116 VAL -0.72 -0.89 1 stop_ save_