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 bmr16450_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.65 _LACS_plot.Line_1_terminator_val_y_1 -0.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 3.71 _LACS_plot.Line_2_terminator_val_y_2 2.13 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 LYS 3.71 0.64 0 51 HIS 2.71 3.29 0 10 ASN -0.16 0.15 1 12 THR 0.64 0.58 1 13 ARG 0.46 0.29 1 14 GLN 0.37 0.53 1 15 THR -0.47 0.40 1 17 LYS -0.05 -0.28 1 18 THR 0.04 0.24 1 21 GLN 0.55 0.51 1 22 THR -2.65 -1.00 1 23 ASP -0.98 -0.85 1 24 GLN 2.48 1.52 1 25 TYR 0.11 -0.29 1 27 ASN 0.36 0.10 1 29 VAL 0.34 0.16 1 30 HIS 0.74 1.34 1 31 GLN 0.29 0.62 1 32 THR 0.25 0.38 1 33 GLU -0.17 0.18 1 34 ALA 0.13 0.06 1 35 LEU 0.46 0.39 1 37 ALA 0.14 0.12 1 38 TYR 0.55 0.30 1 40 ALA 0.15 0.25 1 42 THR 0.07 0.05 1 44 THR 0.10 0.28 1 46 MET 0.43 0.39 1 50 GLU -1.19 -0.33 1 56 HIS 2.31 2.92 1 61 VAL 0.59 0.32 1 62 LEU 0.13 0.11 1 63 ASN 0.24 0.10 1 64 ARG 1.04 0.30 1 65 SER 0.20 0.39 1 67 SER -0.29 0.04 1 68 SER 0.04 0.19 1 69 SER 0.13 0.39 1 70 SER 0.10 0.42 1 71 GLU -0.27 -0.13 1 72 ASP -0.12 0.32 1 73 ASP 0.53 0.49 1 75 GLN 0.49 0.46 1 78 ARG 1.45 1.30 1 79 ARG 2.06 1.29 1 80 LYS 3.40 0.48 1 83 MET 3.52 0.60 1 84 LYS 0.46 0.31 1 85 GLU -0.13 0.24 1 86 LYS 0.59 0.46 1 87 ILE 0.74 0.51 1 88 LYS 0.71 0.55 1 89 GLU 0.30 -0.39 1 90 ARG 0.23 0.08 1 91 ILE -0.00 -0.03 1 94 MET 0.60 0.56 1 96 ARG 0.13 0.25 1 97 LYS 0.68 0.56 1 100 GLN 0.13 1.07 1 101 LYS 0.41 0.29 1 102 GLN 0.08 0.35 1 103 THR 0.59 -0.32 1 104 SER 0.01 0.20 1 105 ALA 0.15 0.31 1 106 THR 0.05 0.19 1 107 SER -0.26 -0.02 1 108 THR 0.04 0.16 1 111 GLN 0.31 0.37 1 113 GLN 0.52 0.53 1 114 GLN 0.51 0.48 1 115 GLN 0.57 0.51 1 116 LYS 0.52 0.43 1 118 MET 0.38 0.41 1 119 MET 0.66 0.41 1 120 GLU -0.10 0.39 1 121 LYS 0.70 0.27 1 122 ILE 0.28 0.21 1 123 LYS 0.38 0.23 1 124 GLU -0.37 0.32 1 125 LYS 0.18 0.12 1 126 LEU 0.16 0.01 1 129 ALA -0.35 0.00 1 130 HIS 0.80 2.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16450_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.65 _LACS_plot.Line_1_terminator_val_y_1 1.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.08 _LACS_plot.Line_2_terminator_val_x_2 3.71 _LACS_plot.Line_2_terminator_val_y_2 -1.58 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 LYS 3.71 -3.07 0 51 HIS 2.71 0.58 0 10 ASN -0.16 0.31 1 12 THR 0.64 -0.06 1 13 ARG 0.46 -0.17 1 14 GLN 0.37 0.16 1 15 THR -0.47 0.87 1 17 LYS -0.05 -0.23 1 18 THR 0.04 0.20 1 21 GLN 0.55 -0.04 1 22 THR -2.65 1.65 1 23 ASP -0.98 0.13 1 24 GLN 2.48 -0.96 1 25 TYR 0.11 -0.40 1 27 ASN 0.36 -0.26 1 29 VAL 0.34 -0.18 1 30 HIS 0.74 0.60 1 31 GLN 0.29 0.33 1 32 THR 0.25 0.13 1 33 GLU -0.17 0.35 1 34 ALA 0.13 -0.07 1 35 LEU 0.46 -0.07 1 37 ALA 0.14 -0.02 1 38 TYR 0.55 -0.25 1 40 ALA 0.15 0.10 1 42 THR 0.07 -0.02 1 44 THR 0.10 0.18 1 46 MET 0.43 -0.04 1 50 GLU -1.19 0.86 1 56 HIS 2.31 0.61 1 61 VAL 0.59 -0.27 1 62 LEU 0.13 -0.02 1 63 ASN 0.24 -0.14 1 64 ARG 1.04 -0.74 1 65 SER 0.20 0.19 1 67 SER -0.29 0.33 1 68 SER 0.04 0.15 1 69 SER 0.13 0.26 1 70 SER 0.10 0.32 1 71 GLU -0.27 0.14 1 72 ASP -0.12 0.44 1 73 ASP 0.53 -0.04 1 75 GLN 0.49 -0.03 1 78 ARG 1.45 -0.15 1 79 ARG 2.06 -0.77 1 80 LYS 3.40 -2.92 1 83 MET 3.52 -2.92 1 84 LYS 0.46 -0.15 1 85 GLU -0.13 0.37 1 86 LYS 0.59 -0.13 1 87 ILE 0.74 -0.23 1 88 LYS 0.71 -0.16 1 89 GLU 0.30 -0.69 1 90 ARG 0.23 -0.15 1 91 ILE -0.00 -0.03 1 94 MET 0.60 -0.04 1 96 ARG 0.13 0.12 1 97 LYS 0.68 -0.12 1 100 GLN 0.13 0.94 1 101 LYS 0.41 -0.12 1 102 GLN 0.08 0.27 1 103 THR 0.59 -0.91 1 104 SER 0.01 0.19 1 105 ALA 0.15 0.16 1 106 THR 0.05 0.14 1 107 SER -0.26 0.24 1 108 THR 0.04 0.12 1 111 GLN 0.31 0.06 1 113 GLN 0.52 0.01 1 114 GLN 0.51 -0.03 1 115 GLN 0.57 -0.06 1 116 LYS 0.52 -0.09 1 118 MET 0.38 0.03 1 119 MET 0.66 -0.25 1 120 GLU -0.10 0.49 1 121 LYS 0.70 -0.43 1 122 ILE 0.28 -0.07 1 123 LYS 0.38 -0.15 1 124 GLU -0.37 0.69 1 125 LYS 0.18 -0.06 1 126 LEU 0.16 -0.15 1 129 ALA -0.35 0.35 1 130 HIS 0.80 1.34 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16450_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.65 _LACS_plot.Line_1_terminator_val_y_1 0.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.08 _LACS_plot.Line_2_terminator_val_x_2 3.71 _LACS_plot.Line_2_terminator_val_y_2 -0.13 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 HIS 2.71 -0.58 0 10 ASN -0.16 -0.10 1 12 THR 0.64 0.03 1 13 ARG 0.46 -0.21 1 14 GLN 0.37 0.07 1 15 THR -0.47 0.08 1 17 LYS -0.05 0.18 1 18 THR 0.04 0.07 1 21 GLN 0.55 0.12 1 22 THR -2.65 0.41 1 23 ASP -0.98 0.01 1 24 GLN 2.48 -0.21 1 25 TYR 0.11 0.08 1 27 ASN 0.36 -0.02 1 29 VAL 0.34 -0.05 1 30 HIS 0.74 -0.09 1 31 GLN 0.29 -0.03 1 32 THR 0.25 0.03 1 33 GLU -0.17 -0.04 1 34 ALA 0.13 0.01 1 35 LEU 0.46 -0.01 1 37 ALA 0.14 -0.08 1 38 TYR 0.55 -0.01 1 40 ALA 0.15 0.00 1 42 THR 0.07 -0.01 1 44 THR 0.10 0.03 1 46 MET 0.43 -0.02 1 50 GLU -1.19 0.03 1 61 VAL 0.59 -0.01 1 62 LEU 0.13 0.01 1 63 ASN 0.24 -0.02 1 64 ARG 1.04 0.18 1 65 SER 0.20 0.01 1 67 SER -0.29 -0.14 1 68 SER 0.04 0.10 1 69 SER 0.13 0.07 1 70 SER 0.10 0.07 1 71 GLU -0.27 0.03 1 72 ASP -0.12 0.00 1 73 ASP 0.53 -0.03 1 75 GLN 0.49 0.06 1 78 ARG 1.45 0.00 1 79 ARG 2.06 -0.08 1 80 LYS 3.40 -0.07 1 81 LYS 3.71 -0.09 1 83 MET 3.52 -0.21 1 84 LYS 0.46 -0.04 1 85 GLU -0.13 -0.10 1 86 LYS 0.59 -0.02 1 87 ILE 0.74 -0.06 1 88 LYS 0.71 -0.02 1 89 GLU 0.30 0.10 1 90 ARG 0.23 -0.04 1 91 ILE -0.00 0.03 1 94 MET 0.60 -0.04 1 96 ARG 0.13 0.00 1 97 LYS 0.68 -0.04 1 100 GLN 0.13 -0.04 1 101 LYS 0.41 -0.03 1 102 GLN 0.08 -0.03 1 103 THR 0.59 0.04 1 104 SER 0.01 0.09 1 105 ALA 0.15 0.06 1 106 THR 0.05 0.04 1 107 SER -0.26 0.18 1 108 THR 0.04 0.04 1 111 GLN 0.31 -0.01 1 113 GLN 0.52 0.01 1 114 GLN 0.51 -0.01 1 115 GLN 0.57 -0.03 1 116 LYS 0.52 -0.02 1 118 MET 0.38 0.01 1 119 MET 0.66 -0.11 1 120 GLU -0.10 -0.12 1 121 LYS 0.70 -0.02 1 122 ILE 0.28 -0.06 1 123 LYS 0.38 -0.02 1 124 GLU -0.37 -0.09 1 125 LYS 0.18 -0.03 1 126 LEU 0.16 -0.09 1 129 ALA -0.35 0.02 1 130 HIS 0.80 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16450_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.65 _LACS_plot.Line_1_terminator_val_y_1 -0.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.12 _LACS_plot.Line_2_terminator_val_x_2 3.71 _LACS_plot.Line_2_terminator_val_y_2 0.17 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 HIS 2.71 4.58 0 10 ASN -0.16 -0.17 1 12 THR 0.64 -0.01 1 13 ARG 0.46 -0.21 1 14 GLN 0.37 1.02 1 15 THR -0.47 0.42 1 17 LYS -0.05 0.23 1 18 THR 0.04 -0.11 1 21 GLN 0.55 0.31 1 22 THR -2.65 -0.16 1 23 ASP -0.98 1.29 1 24 GLN 2.48 -0.27 1 25 TYR 0.11 0.19 1 27 ASN 0.36 -0.41 1 29 VAL 0.34 -0.45 1 30 HIS 0.74 0.00 1 31 GLN 0.29 0.25 1 32 THR 0.25 -0.10 1 33 GLU -0.17 -0.42 1 34 ALA 0.13 -0.15 1 35 LEU 0.46 0.44 1 37 ALA 0.14 -0.25 1 38 TYR 0.55 0.63 1 40 ALA 0.15 0.52 1 42 THR 0.07 0.65 1 44 THR 0.10 0.69 1 46 MET 0.43 -0.11 1 50 GLU -1.19 -0.52 1 56 HIS 2.31 3.68 1 61 VAL 0.59 -0.13 1 62 LEU 0.13 -0.67 1 63 ASN 0.24 -0.04 1 64 ARG 1.04 -1.14 1 65 SER 0.20 0.49 1 67 SER -0.29 0.00 1 68 SER 0.04 -0.02 1 69 SER 0.13 0.08 1 70 SER 0.10 0.10 1 71 GLU -0.27 -0.42 1 72 ASP -0.12 -0.16 1 73 ASP 0.53 1.01 1 75 GLN 0.49 1.02 1 78 ARG 1.45 0.33 1 79 ARG 2.06 -0.04 1 80 LYS 3.40 -0.01 1 81 LYS 3.71 0.00 1 83 MET 3.52 0.26 1 84 LYS 0.46 -0.23 1 85 GLU -0.13 -0.13 1 86 LYS 0.59 0.11 1 87 ILE 0.74 -0.08 1 88 LYS 0.71 -0.17 1 89 GLU 0.30 -0.53 1 90 ARG 0.23 -0.39 1 91 ILE -0.00 -0.42 1 94 MET 0.60 0.51 1 96 ARG 0.13 0.34 1 97 LYS 0.68 -2.61 1 100 GLN 0.13 0.24 1 101 LYS 0.41 -0.12 1 102 GLN 0.08 0.24 1 103 THR 0.59 -0.11 1 104 SER 0.01 -0.28 1 105 ALA 0.15 0.14 1 106 THR 0.05 -0.17 1 107 SER -0.26 -0.39 1 108 THR 0.04 -0.28 1 111 GLN 0.31 0.75 1 113 GLN 0.52 0.27 1 114 GLN 0.51 0.11 1 115 GLN 0.57 0.07 1 116 LYS 0.52 0.58 1 118 MET 0.38 0.52 1 119 MET 0.66 0.07 1 120 GLU -0.10 -0.13 1 121 LYS 0.70 -0.11 1 122 ILE 0.28 -0.22 1 123 LYS 0.38 -0.31 1 124 GLU -0.37 -0.47 1 125 LYS 0.18 0.01 1 126 LEU 0.16 -0.41 1 129 ALA -0.35 -0.99 1 130 HIS 0.80 -3.12 1 stop_ save_