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 bmr16175_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 5.45 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 HIS -8.17 -2.05 0 10 TYR -2.56 1.28 1 14 GLU 4.46 2.41 1 15 LEU 0.94 1.42 1 16 LEU 5.08 3.26 1 17 GLU 2.77 2.56 1 18 ALA 2.36 1.87 1 19 LEU 0.40 1.00 1 20 LYS 4.19 2.67 1 22 LEU 5.56 4.23 1 23 HIS 4.76 3.93 1 24 ASP 2.82 3.58 1 25 ILE 5.77 3.59 1 27 ALA 3.89 2.86 1 28 LYS 2.60 3.45 1 29 LYS -1.41 0.97 1 30 THR -0.59 -1.54 1 32 VAL -2.48 -1.58 1 33 THR 3.84 2.88 1 34 ASP 4.83 3.69 1 35 GLU 2.04 2.39 1 36 ALA 4.44 4.62 1 37 ILE 3.52 3.31 1 38 ILE 3.00 2.46 1 39 GLU 3.08 4.10 1 40 PHE 3.45 3.75 1 41 SER -0.12 0.47 1 42 ASP -1.54 -0.83 1 44 LYS 2.87 2.46 1 45 ILE -5.11 -0.79 1 46 HIS -0.78 -0.83 1 47 GLU -2.18 0.57 1 48 ASP 3.55 3.40 1 49 GLU 5.67 3.43 1 50 LYS 2.88 2.35 1 51 LEU 5.32 4.11 1 52 LYS 6.98 5.30 1 54 TYR 5.69 4.06 1 55 MET 3.22 4.53 1 56 ASN 3.59 3.62 1 58 LEU 3.04 1.37 1 59 PHE 5.02 6.34 1 60 HIS 2.03 1.65 1 61 GLU -0.45 -0.18 1 62 ALA 5.76 0.89 1 63 LYS -0.60 -3.03 1 64 VAL -6.25 -4.28 1 65 VAL -2.50 -2.24 1 66 ASP 3.39 2.76 1 67 ASP -0.37 -0.03 1 68 ASN -0.63 0.11 1 70 ASP 3.91 2.23 1 71 VAL -2.96 -0.76 1 72 HIS 5.17 3.92 1 73 LEU 1.38 1.08 1 75 LYS 4.63 3.88 1 76 LEU 0.07 0.00 1 77 ARG 2.54 2.13 1 78 ASP 1.39 1.48 1 79 SER -1.05 -1.60 1 80 LEU 3.99 3.18 1 82 ASN 3.37 1.74 1 83 SER -2.05 -0.59 1 84 MET 4.69 5.74 1 85 HIS 4.80 3.68 1 86 ASP 2.54 3.30 1 87 ILE 2.67 2.41 1 88 ALA 2.90 0.85 1 89 MET -1.56 0.76 1 91 MET -0.04 0.00 1 93 LYS -0.04 -1.00 1 94 ARG 0.15 1.10 1 96 LEU -1.36 -1.85 1 97 TYR -5.88 -2.94 1 99 GLU 0.09 0.69 1 101 GLU -3.00 -1.50 1 102 ASN 4.94 3.35 1 103 LEU 2.70 2.88 1 105 GLU 3.56 4.01 1 106 LYS 3.65 3.27 1 107 ALA 3.45 3.14 1 108 PHE 4.75 5.06 1 109 TRP 4.36 3.31 1 110 LEU 4.11 6.35 1 111 HIS 5.30 3.90 1 112 LYS 1.16 0.89 1 114 TRP 3.47 3.29 1 115 LYS 2.74 2.47 1 116 GLN 1.31 2.01 1 117 ALA -0.34 -0.40 1 118 ASP 2.72 2.09 1 120 LYS 2.44 2.66 1 121 HIS 4.06 4.39 1 122 TYR 0.80 0.07 1 123 PHE 0.04 0.00 1 124 LEU 1.86 1.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16175_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 5.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _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 6.98 _LACS_plot.Line_2_terminator_val_y_2 -1.53 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 HIS -8.17 6.12 0 10 TYR -2.56 3.84 1 14 GLU 4.46 -2.05 1 15 LEU 0.94 0.48 1 16 LEU 5.08 -1.82 1 17 GLU 2.77 -0.21 1 18 ALA 2.36 -0.49 1 19 LEU 0.40 0.60 1 20 LYS 4.19 -1.52 1 22 LEU 5.56 -1.33 1 23 HIS 4.76 -0.83 1 24 ASP 2.82 0.76 1 25 ILE 5.77 -2.18 1 27 ALA 3.89 -1.03 1 28 LYS 2.60 0.85 1 29 LYS -1.41 2.38 1 30 THR -0.59 -0.95 1 32 VAL -2.48 0.90 1 33 THR 3.84 -0.96 1 34 ASP 4.83 -1.14 1 35 GLU 2.04 0.35 1 36 ALA 4.44 0.18 1 37 ILE 3.52 -0.21 1 38 ILE 3.00 -0.54 1 39 GLU 3.08 1.02 1 40 PHE 3.45 0.30 1 41 SER -0.12 0.59 1 42 ASP -1.54 0.71 1 44 LYS 2.87 -0.41 1 45 ILE -5.11 4.32 1 46 HIS -0.78 -0.05 1 47 GLU -2.18 2.75 1 48 ASP 3.55 -0.15 1 49 GLU 5.67 -2.24 1 50 LYS 2.88 -0.53 1 51 LEU 5.32 -1.21 1 52 LYS 6.98 -1.68 1 54 TYR 5.69 -1.63 1 55 MET 3.22 1.31 1 56 ASN 3.59 0.03 1 58 LEU 3.04 -1.67 1 59 PHE 5.02 1.32 1 60 HIS 2.03 -0.38 1 61 GLU -0.45 0.27 1 62 ALA 5.76 -4.87 1 63 LYS -0.60 -2.43 1 64 VAL -6.25 1.97 1 65 VAL -2.50 0.26 1 66 ASP 3.39 -0.63 1 67 ASP -0.37 0.34 1 68 ASN -0.63 0.74 1 70 ASP 3.91 -1.68 1 71 VAL -2.96 2.20 1 72 HIS 5.17 -1.25 1 73 LEU 1.38 -0.30 1 75 LYS 4.63 -0.75 1 76 LEU 0.07 -0.07 1 77 ARG 2.54 -0.41 1 78 ASP 1.39 0.09 1 79 SER -1.05 -0.55 1 80 LEU 3.99 -0.81 1 82 ASN 3.37 -1.63 1 83 SER -2.05 1.46 1 84 MET 4.69 1.05 1 85 HIS 4.80 -1.12 1 86 ASP 2.54 0.76 1 87 ILE 2.67 -0.26 1 88 ALA 2.90 -2.05 1 89 MET -1.56 2.32 1 91 MET -0.04 0.04 1 93 LYS -0.04 -0.96 1 94 ARG 0.15 0.95 1 96 LEU -1.36 -0.49 1 97 TYR -5.88 2.94 1 99 GLU 0.09 0.60 1 101 GLU -3.00 1.50 1 102 ASN 4.94 -1.59 1 103 LEU 2.70 0.18 1 105 GLU 3.56 0.45 1 106 LYS 3.65 -0.38 1 107 ALA 3.45 -0.31 1 108 PHE 4.75 0.31 1 109 TRP 4.36 -1.05 1 110 LEU 4.11 2.24 1 111 HIS 5.30 -1.40 1 112 LYS 1.16 -0.27 1 114 TRP 3.47 -0.18 1 115 LYS 2.74 -0.27 1 116 GLN 1.31 0.70 1 117 ALA -0.34 -0.06 1 118 ASP 2.72 -0.63 1 120 LYS 2.44 0.22 1 121 HIS 4.06 0.33 1 122 TYR 0.80 -0.73 1 123 PHE 0.04 -0.04 1 124 LEU 1.86 -0.83 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16175_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 0.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 HIS -8.17 0.20 0 64 VAL -6.25 0.95 0 10 TYR -2.56 -0.93 0 14 GLU 4.46 -0.19 1 15 LEU 0.94 0.07 1 16 LEU 5.08 -0.51 1 17 GLU 2.77 -0.40 1 18 ALA 2.36 -0.15 1 19 LEU 0.40 -0.14 1 20 LYS 4.19 -0.30 1 22 LEU 5.56 -0.11 1 23 HIS 4.76 -0.38 1 24 ASP 2.82 -0.43 1 25 ILE 5.77 -0.27 1 27 ALA 3.89 -0.25 1 28 LYS 2.60 -0.25 1 29 LYS -1.41 0.03 1 30 THR -0.59 -0.10 1 32 VAL -2.48 0.11 1 33 THR 3.84 -0.32 1 34 ASP 4.83 -0.47 1 35 GLU 2.04 -0.12 1 36 ALA 4.44 -0.73 1 37 ILE 3.52 -0.26 1 38 ILE 3.00 -0.29 1 39 GLU 3.08 -0.68 1 40 PHE 3.45 -0.24 1 41 SER -0.12 0.10 1 42 ASP -1.54 -0.09 1 44 LYS 2.87 -1.06 1 45 ILE -5.11 0.11 1 46 HIS -0.78 -0.32 1 47 GLU -2.18 -0.15 1 48 ASP 3.55 -0.70 1 49 GLU 5.67 -0.24 1 50 LYS 2.88 -0.44 1 51 LEU 5.32 -0.17 1 52 LYS 6.98 -0.68 1 54 TYR 5.69 -1.25 1 55 MET 3.22 -0.19 1 56 ASN 3.59 -0.72 1 58 LEU 3.04 -0.22 1 59 PHE 5.02 -0.76 1 60 HIS 2.03 -0.26 1 61 GLU -0.45 -0.11 1 62 ALA 5.76 -0.43 1 63 LYS -0.60 0.54 1 65 VAL -2.50 0.06 1 66 ASP 3.39 -0.32 1 67 ASP -0.37 0.04 1 68 ASN -0.63 0.00 1 70 ASP 3.91 -0.71 1 71 VAL -2.96 -0.08 1 72 HIS 5.17 -0.47 1 73 LEU 1.38 -0.63 1 75 LYS 4.63 -0.31 1 76 LEU 0.07 -0.05 1 77 ARG 2.54 -0.40 1 78 ASP 1.39 -0.10 1 79 SER -1.05 -0.22 1 80 LEU 3.99 -1.26 1 82 ASN 3.37 -0.12 1 83 SER -2.05 0.35 1 84 MET 4.69 -0.61 1 85 HIS 4.80 -0.26 1 86 ASP 2.54 -0.55 1 87 ILE 2.67 -0.48 1 88 ALA 2.90 -0.32 1 89 MET -1.56 -0.12 1 91 MET -0.04 -0.05 1 93 LYS -0.04 -0.01 1 94 ARG 0.15 -0.21 1 96 LEU -1.36 -0.06 1 97 TYR -5.88 -0.09 1 99 GLU 0.09 -0.15 1 101 GLU -3.00 0.05 1 102 ASN 4.94 -0.35 1 103 LEU 2.70 -0.22 1 105 GLU 3.56 -0.23 1 106 LYS 3.65 0.00 1 107 ALA 3.45 0.00 1 108 PHE 4.75 -1.11 1 109 TRP 4.36 -0.94 1 110 LEU 4.11 -0.66 1 111 HIS 5.30 -0.85 1 112 LYS 1.16 -0.21 1 114 TRP 3.47 -0.84 1 115 LYS 2.74 -0.44 1 116 GLN 1.31 -0.19 1 117 ALA -0.34 -0.05 1 118 ASP 2.72 -0.34 1 120 LYS 2.44 0.04 1 121 HIS 4.06 -0.72 1 122 TYR 0.80 -0.24 1 123 PHE 0.04 -0.05 1 124 LEU 1.86 -0.58 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16175_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 -1.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.22 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 2.59 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 HIS 5.02 6.39 0 91 MET -8.17 -0.44 0 14 GLU 4.46 2.62 1 15 LEU 0.94 -0.12 1 16 LEU 5.08 2.47 1 17 GLU 2.77 2.32 1 18 ALA 2.36 1.66 1 19 LEU 0.40 0.73 1 22 LEU 4.19 0.90 1 23 HIS 5.56 3.17 1 24 ASP 4.76 2.85 1 25 ILE 2.82 2.88 1 27 ALA 5.77 2.29 1 28 LYS 3.89 2.43 1 29 LYS 2.60 1.66 1 30 THR -1.41 1.64 1 32 VAL -0.59 -3.16 1 33 THR -2.48 0.66 1 34 ASP 3.84 2.77 1 35 GLU 4.83 1.86 1 36 ALA 2.04 3.05 1 37 ILE 4.44 0.58 1 38 ILE 3.52 1.86 1 39 GLU 3.00 0.93 1 40 PHE 3.08 1.36 1 41 SER 3.45 2.16 1 42 ASP -0.12 0.89 1 44 LYS -1.54 -1.04 1 45 ILE 2.87 -1.29 1 46 HIS -5.11 -1.16 1 47 GLU -0.78 -1.81 1 48 ASP -2.18 0.22 1 49 GLU 3.55 2.74 1 50 LYS 5.67 2.48 1 51 LEU 2.88 0.48 1 52 LYS 5.32 2.13 1 54 TYR 6.98 0.13 1 55 MET 5.69 2.21 1 56 ASN 3.22 0.19 1 58 LEU 3.59 1.53 1 59 PHE 3.04 1.98 1 61 GLU 2.03 1.52 1 62 ALA -0.45 -2.46 1 63 LYS 5.76 0.27 1 64 VAL -0.60 -2.71 1 65 VAL -6.25 0.19 1 66 ASP -2.50 1.63 1 67 ASP 3.39 0.55 1 68 ASN -0.37 0.31 1 70 ASP -0.63 -0.02 1 71 VAL 3.91 -1.47 1 72 HIS -2.96 1.09 1 78 ASP 2.54 0.79 1 79 SER 1.39 -0.83 1 82 ASN 3.99 2.32 1 83 SER 3.37 1.42 1 84 MET -2.05 -0.30 1 85 HIS 4.69 2.95 1 86 ASP 4.80 2.55 1 87 ILE 2.54 2.24 1 88 ALA 2.67 -0.40 1 97 TYR -1.36 1.57 1 99 GLU -5.88 -1.90 1 101 GLU 0.09 -1.15 1 102 ASN -3.00 0.16 1 103 LEU 4.94 3.14 1 105 GLU 2.70 2.97 1 106 LYS 3.56 0.99 1 107 ALA 3.65 1.38 1 108 PHE 3.45 -0.17 1 109 TRP 4.75 3.65 1 110 LEU 4.36 -1.83 1 111 HIS 4.11 3.43 1 112 LYS 5.30 -0.09 1 114 TRP 1.16 1.30 1 115 LYS 3.47 1.56 1 116 GLN 2.74 2.32 1 117 ALA 1.31 1.54 1 120 LYS 2.72 0.73 1 121 HIS 2.44 1.67 1 123 PHE 0.80 -0.86 1 124 LEU 0.04 -1.73 1 stop_ save_