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 bmr6860_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _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 -1.42 _LACS_plot.Line_2_terminator_val_x_2 6.37 _LACS_plot.Line_2_terminator_val_y_2 4.86 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 LEU -6.86 -1.40 0 82 HIS 4.21 5.96 0 11 LYS 2.48 0.66 1 12 TYR 4.29 3.29 1 13 LEU 4.18 2.84 1 14 GLU 2.52 2.77 1 15 MET 2.98 4.07 1 16 MET 3.03 2.00 1 17 GLU 1.26 0.79 1 18 LEU 1.64 1.27 1 19 ASP 2.63 0.65 1 20 ILE -2.24 -0.63 1 22 ASP -2.70 -1.73 1 23 ALA 3.64 3.11 1 24 THR 5.86 4.44 1 25 GLN 4.52 3.56 1 26 VAL 6.03 4.71 1 27 TYR 4.71 4.30 1 28 VAL 5.71 4.05 1 29 ALA 3.99 2.77 1 30 PHE 4.23 3.56 1 31 LEU 3.35 2.78 1 32 VAL 5.95 4.17 1 33 TYR 5.99 4.97 1 34 LEU 2.92 2.35 1 35 ASP 2.03 4.00 1 36 LEU 3.42 2.36 1 37 MET 2.36 1.03 1 38 GLU 1.02 1.06 1 39 SER 2.61 2.15 1 40 LYS 0.31 -0.45 1 41 SER 2.24 0.14 1 42 TRP 3.34 1.94 1 43 HIS 3.13 3.56 1 44 GLU -3.56 -0.18 1 45 VAL -1.38 0.87 1 46 ASN -4.62 -1.20 1 48 VAL -3.27 -0.83 1 50 LEU -1.73 -1.68 1 52 GLU 4.02 2.56 1 53 LEU -2.70 -1.27 1 54 GLN 4.11 1.26 1 56 ILE -0.68 -0.08 1 58 LEU -2.03 -2.25 1 59 VAL -4.27 -2.38 1 61 THR -2.35 -1.17 1 62 GLU 3.10 2.18 1 63 ILE -3.65 -2.44 1 64 GLU 3.00 2.10 1 66 GLU -1.77 -1.02 1 68 LEU -2.11 0.02 1 69 GLN -5.34 -0.96 1 70 THR 0.78 0.97 1 71 VAL -2.87 -1.62 1 72 VAL -1.69 -0.23 1 74 THR -4.22 -1.81 1 76 ILE 1.89 2.41 1 77 THR 0.50 -0.36 1 78 ALA -2.25 -1.34 1 79 SER -2.31 -0.83 1 80 LEU -4.86 -1.27 1 81 SER -4.96 -2.79 1 83 ASN 3.65 3.48 1 84 ARG 3.96 3.05 1 85 ILE 6.38 5.60 1 86 ARG 5.53 3.88 1 87 GLU 2.43 2.40 1 88 ILE 6.15 4.72 1 89 LEU 5.23 3.96 1 90 LYS 4.16 3.64 1 91 ALA 3.30 2.44 1 92 SER 4.33 3.61 1 93 ARG 4.10 3.54 1 94 LYS 3.69 2.83 1 95 LEU 2.53 2.04 1 96 GLN 0.98 0.70 1 98 ASP -0.02 0.68 1 100 ASP 0.15 -0.29 1 101 LEU -1.83 -0.14 1 103 MET -2.62 -0.66 1 104 SER -3.14 -0.66 1 105 PHE -2.53 -0.78 1 106 THR 0.09 0.36 1 107 LEU -3.04 -0.95 1 108 ALA -6.21 -3.19 1 109 ILE -0.39 -0.12 1 110 VAL 1.14 0.12 1 111 GLU -0.90 0.24 1 112 SER 2.27 1.88 1 113 ASP 1.01 -0.08 1 114 SER 2.98 1.88 1 115 THR 1.96 1.75 1 116 ILE -2.68 -0.79 1 117 VAL -3.24 -1.58 1 118 TYR -1.08 -0.62 1 119 TYR -4.52 0.22 1 120 LYS 0.21 1.02 1 121 LEU -4.08 -2.38 1 122 THR -4.16 -1.49 1 123 ASP 0.38 2.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6860_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 4.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 6.37 _LACS_plot.Line_2_terminator_val_y_2 -1.51 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 LEU -6.86 5.46 0 82 HIS 4.21 1.75 0 11 LYS 2.48 -1.82 1 12 TYR 4.29 -1.00 1 13 LEU 4.18 -1.34 1 14 GLU 2.52 0.25 1 15 MET 2.98 1.09 1 16 MET 3.03 -1.03 1 17 GLU 1.26 -0.47 1 18 LEU 1.64 -0.37 1 19 ASP 2.63 -1.98 1 20 ILE -2.24 1.61 1 22 ASP -2.70 0.97 1 23 ALA 3.64 -0.53 1 24 THR 5.86 -1.42 1 25 GLN 4.52 -0.96 1 26 VAL 6.03 -1.32 1 27 TYR 4.71 -0.41 1 28 VAL 5.71 -1.66 1 29 ALA 3.99 -1.22 1 30 PHE 4.23 -0.67 1 31 LEU 3.35 -0.57 1 32 VAL 5.95 -1.78 1 33 TYR 5.99 -1.02 1 34 LEU 2.92 -0.57 1 35 ASP 2.03 1.97 1 36 LEU 3.42 -1.06 1 37 MET 2.36 -1.33 1 38 GLU 1.02 0.04 1 39 SER 2.61 -0.46 1 40 LYS 0.31 -0.76 1 41 SER 2.24 -2.10 1 42 TRP 3.34 -1.40 1 43 HIS 3.13 0.43 1 44 GLU -3.56 3.38 1 45 VAL -1.38 2.25 1 46 ASN -4.62 3.42 1 48 VAL -3.27 2.44 1 50 LEU -1.73 0.05 1 52 GLU 4.02 -1.46 1 53 LEU -2.70 1.43 1 54 GLN 4.11 -2.85 1 56 ILE -0.68 0.60 1 58 LEU -2.03 -0.22 1 59 VAL -4.27 1.89 1 61 THR -2.35 1.18 1 62 GLU 3.10 -0.92 1 63 ILE -3.65 1.21 1 64 GLU 3.00 -0.90 1 66 GLU -1.77 0.75 1 68 LEU -2.11 2.13 1 69 GLN -5.34 4.38 1 70 THR 0.78 0.19 1 71 VAL -2.87 1.25 1 72 VAL -1.69 1.46 1 74 THR -4.22 2.41 1 76 ILE 1.89 0.52 1 77 THR 0.50 -0.86 1 78 ALA -2.25 0.91 1 79 SER -2.31 1.48 1 80 LEU -4.86 3.59 1 81 SER -4.96 2.17 1 83 ASN 3.65 -0.17 1 84 ARG 3.96 -0.91 1 85 ILE 6.38 -0.78 1 86 ARG 5.53 -1.65 1 87 GLU 2.43 -0.03 1 88 ILE 6.15 -1.43 1 89 LEU 5.23 -1.27 1 90 LYS 4.16 -0.52 1 91 ALA 3.30 -0.86 1 92 SER 4.33 -0.72 1 93 ARG 4.10 -0.56 1 94 LYS 3.69 -0.86 1 95 LEU 2.53 -0.49 1 96 GLN 0.98 -0.28 1 98 ASP -0.02 0.70 1 100 ASP 0.15 -0.44 1 101 LEU -1.83 1.69 1 103 MET -2.62 1.96 1 104 SER -3.14 2.48 1 105 PHE -2.53 1.75 1 106 THR 0.09 0.27 1 107 LEU -3.04 2.09 1 108 ALA -6.21 3.02 1 109 ILE -0.39 0.27 1 110 VAL 1.14 -1.02 1 111 GLU -0.90 1.14 1 112 SER 2.27 -0.39 1 113 ASP 1.01 -1.09 1 114 SER 2.98 -1.10 1 115 THR 1.96 -0.21 1 116 ILE -2.68 1.89 1 117 VAL -3.24 1.66 1 118 TYR -1.08 0.46 1 119 TYR -4.52 4.74 1 120 LYS 0.21 0.81 1 121 LEU -4.08 1.70 1 122 THR -4.16 2.67 1 123 ASP 0.38 2.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6860_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.37 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 GLU 3.10 -1.48 0 11 LYS 2.48 -0.04 1 12 TYR 4.29 -0.83 1 13 LEU 4.18 -0.57 1 14 GLU 2.52 -0.41 1 15 MET 2.98 -0.54 1 16 MET 3.03 -0.32 1 17 GLU 1.26 -0.23 1 18 LEU 1.64 -0.23 1 19 ASP 2.63 -0.28 1 20 ILE -2.24 -0.04 1 22 ASP -2.70 0.15 1 23 ALA 3.64 -0.20 1 24 THR 5.86 -0.17 1 25 GLN 4.52 -0.25 1 26 VAL 6.03 -0.65 1 27 TYR 4.71 -0.19 1 28 VAL 5.71 -0.47 1 29 ALA 3.99 -0.41 1 30 PHE 4.23 -0.52 1 31 LEU 3.35 -0.74 1 32 VAL 5.95 -0.66 1 33 TYR 5.99 -1.07 1 34 LEU 2.92 -0.84 1 35 ASP 2.03 -0.34 1 36 LEU 3.42 -1.01 1 37 MET 2.36 -0.08 1 38 GLU 1.02 0.11 1 39 SER 2.61 0.19 1 40 LYS 0.31 0.13 1 41 SER 2.24 -0.26 1 42 TRP 3.34 0.04 1 43 HIS 3.13 -0.28 1 44 GLU -3.56 0.08 1 45 VAL -1.38 0.37 1 46 ASN -4.62 0.52 1 48 VAL -3.27 0.22 1 50 LEU -1.73 0.42 1 52 GLU 4.02 -0.17 1 53 LEU -2.70 0.17 1 54 GLN 4.11 -0.75 1 55 LEU -6.86 0.41 1 56 ILE -0.68 0.37 1 58 LEU -2.03 1.13 1 59 VAL -4.27 1.37 1 61 THR -2.35 0.07 1 63 ILE -3.65 -0.13 1 64 GLU 3.00 -0.92 1 66 GLU -1.77 0.11 1 68 LEU -2.11 0.15 1 69 GLN -5.34 0.43 1 70 THR 0.78 0.68 1 71 VAL -2.87 1.12 1 72 VAL -1.69 0.23 1 74 THR -4.22 0.58 1 76 ILE 1.89 0.05 1 77 THR 0.50 -0.12 1 78 ALA -2.25 0.44 1 79 SER -2.31 -0.08 1 80 LEU -4.86 0.57 1 81 SER -4.96 0.80 1 82 HIS 4.21 -0.32 1 83 ASN 3.65 -0.30 1 84 ARG 3.96 -0.16 1 85 ILE 6.38 -0.52 1 86 ARG 5.53 -0.64 1 87 GLU 2.43 -0.29 1 88 ILE 6.15 -0.86 1 89 LEU 5.23 -0.41 1 90 LYS 4.16 -0.26 1 91 ALA 3.30 -0.17 1 92 SER 4.33 0.43 1 93 ARG 4.10 -0.18 1 94 LYS 3.69 -0.15 1 95 LEU 2.53 -0.21 1 96 GLN 0.98 -0.10 1 98 ASP -0.02 -0.18 1 100 ASP 0.15 0.14 1 101 LEU -1.83 0.00 1 103 MET -2.62 0.29 1 104 SER -3.14 0.61 1 105 PHE -2.53 0.59 1 106 THR 0.09 0.31 1 107 LEU -3.04 0.41 1 108 ALA -6.21 0.36 1 109 ILE -0.39 -0.11 1 110 VAL 1.14 0.20 1 111 GLU -0.90 0.05 1 112 SER 2.27 -0.08 1 113 ASP 1.01 -0.07 1 114 SER 2.98 -0.41 1 115 THR 1.96 -0.10 1 116 ILE -2.68 0.60 1 117 VAL -3.24 0.20 1 118 TYR -1.08 0.78 1 119 TYR -4.52 0.27 1 120 LYS 0.21 0.24 1 121 LEU -4.08 0.98 1 122 THR -4.16 0.75 1 123 ASP 0.38 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6860_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -3.99 _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 -2.09 _LACS_plot.Line_2_terminator_val_x_2 6.37 _LACS_plot.Line_2_terminator_val_y_2 0.80 _LACS_plot.Y_axis_chem_shift_offset 1.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 SER -4.96 1.16 0 11 LYS 2.48 0.68 1 12 TYR 4.29 0.36 1 13 LEU 4.18 0.86 1 14 GLU 2.52 1.73 1 15 MET 2.98 1.59 1 16 MET 3.03 1.54 1 17 GLU 1.26 -0.61 1 18 LEU 1.64 -1.82 1 19 ASP 2.63 -2.54 1 20 ILE -2.24 -1.69 1 22 ASP -2.70 -1.42 1 23 ALA 3.64 1.75 1 24 THR 5.86 0.14 1 25 GLN 4.52 1.60 1 26 VAL 6.03 -0.75 1 27 TYR 4.71 -0.04 1 28 VAL 5.71 -0.17 1 29 ALA 3.99 0.05 1 30 PHE 4.23 -0.77 1 31 LEU 3.35 1.91 1 32 VAL 5.95 -1.34 1 33 TYR 5.99 -1.02 1 34 LEU 2.92 0.64 1 35 ASP 2.03 1.21 1 36 LEU 3.42 -0.83 1 37 MET 2.36 1.56 1 38 GLU 1.02 -0.02 1 39 SER 2.61 1.06 1 40 LYS 0.31 -1.63 1 41 SER 2.24 -0.83 1 42 TRP 3.34 -1.62 1 43 HIS 3.13 0.31 1 44 GLU -3.56 -3.59 1 45 VAL -1.38 -3.96 1 46 ASN -4.62 -2.36 1 48 VAL -3.27 -2.99 1 52 GLU 4.02 -0.45 1 53 LEU -2.70 -3.57 1 54 GLN 4.11 -3.40 1 55 LEU -6.86 -4.13 1 56 ILE -0.68 -2.46 1 58 LEU -2.03 -3.59 1 59 VAL -4.27 -0.27 1 61 THR -2.35 -2.71 1 62 GLU 3.10 -1.95 1 63 ILE -3.65 -2.92 1 64 GLU 3.00 -1.41 1 66 GLU -1.77 -1.35 1 68 LEU -2.11 -1.41 1 69 GLN -5.34 -2.39 1 70 THR 0.78 -2.10 1 71 VAL -2.87 -2.29 1 76 ILE 1.89 -4.02 1 77 THR 0.50 -1.17 1 78 ALA -2.25 -4.28 1 79 SER -2.31 1.48 1 80 LEU -4.86 -3.67 1 82 HIS 4.21 2.45 1 83 ASN 3.65 -0.43 1 84 ARG 3.96 1.10 1 85 ILE 6.38 -0.30 1 86 ARG 5.53 1.22 1 87 GLU 2.43 2.18 1 88 ILE 6.15 0.86 1 89 LEU 5.23 0.32 1 90 LYS 4.16 1.83 1 91 ALA 3.30 1.35 1 92 SER 4.33 -2.16 1 93 ARG 4.10 1.46 1 94 LYS 3.69 2.26 1 95 LEU 2.53 -0.33 1 96 GLN 0.98 -0.63 1 100 ASP 0.15 -1.37 1 103 MET -2.62 -2.22 1 104 SER -3.14 -2.81 1 105 PHE -2.53 -5.11 1 106 THR 0.09 -2.93 1 107 LEU -3.04 -4.86 1 108 ALA -6.21 -4.75 1 110 VAL 1.14 -0.60 1 111 GLU -0.90 -0.61 1 112 SER 2.27 -1.41 1 113 ASP 1.01 -0.87 1 114 SER 2.98 -2.39 1 115 THR 1.96 -3.20 1 116 ILE -2.68 -1.97 1 117 VAL -3.24 -4.06 1 118 TYR -1.08 -1.65 1 119 TYR -4.52 -3.91 1 120 LYS 0.21 -4.58 1 121 LEU -4.08 -1.87 1 122 THR -4.16 -1.48 1 stop_ save_