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 bmr4444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 -2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 7.85 _LACS_plot.Line_2_terminator_val_y_2 5.58 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 GLN 1.78 -0.92 0 80 ILE -5.53 -0.71 0 52 ALA 6.74 2.71 0 73 SER -6.47 -1.11 0 10 THR 3.57 3.18 1 11 LEU 7.85 5.11 1 12 ASP 3.05 3.11 1 13 ASP 2.70 3.03 1 16 TRP -6.32 -4.02 1 17 ASP -5.87 -1.17 1 18 MET 1.83 2.47 1 19 ASP 0.15 -0.13 1 20 ASP 1.72 1.26 1 21 ASP 2.87 2.49 1 22 ASP -0.73 -1.93 1 23 LEU 3.33 4.12 1 24 PHE 6.87 4.78 1 25 GLU 3.98 3.21 1 26 LYS 5.57 3.29 1 27 ALA 2.93 2.76 1 28 ALA 3.20 2.43 1 29 ASP -0.93 0.23 1 30 ALA 0.35 0.91 1 32 LEU -1.67 -0.91 1 33 ASP -1.02 0.58 1 35 GLU 2.57 2.50 1 36 ASP 0.23 2.54 1 37 TYR -4.87 -0.52 1 39 THR -4.17 -1.93 1 40 MET -4.19 -0.91 1 41 GLU -1.24 -0.89 1 42 VAL -3.37 -0.82 1 43 ALA -0.49 -0.34 1 44 GLU 3.37 2.57 1 46 GLU -3.18 -1.64 1 47 TYR -2.05 -2.54 1 48 ILE 5.20 5.02 1 49 LEU 3.25 3.42 1 50 GLU 3.34 2.48 1 51 ALA 2.61 2.82 1 53 GLU 3.41 2.50 1 54 ALA 3.29 2.02 1 55 GLN 0.21 -0.89 1 57 TYR -2.89 -3.13 1 58 ASP -1.32 -1.41 1 59 TRP -1.46 -2.00 1 72 ALA 0.61 1.59 1 74 ILE -4.37 -3.53 1 75 VAL -2.63 -1.37 1 76 LYS -1.98 -1.44 1 77 GLU -3.63 0.05 1 79 GLU -5.95 -2.46 1 81 ASP -1.65 -0.47 1 82 MET -4.56 -0.55 1 83 ASP 0.56 0.63 1 84 MET 2.98 1.84 1 85 GLN -0.48 -0.75 1 86 GLN -2.19 -0.85 1 88 LEU -2.61 -1.61 1 89 SER -3.11 -1.25 1 90 ASP 4.92 3.45 1 91 GLU 3.46 3.21 1 92 GLU 4.05 3.03 1 93 VAL 3.64 4.09 1 94 GLU 1.71 2.75 1 95 GLU -0.32 0.59 1 96 LYS 0.49 0.04 1 97 ASP 4.01 2.07 1 98 VAL 2.11 0.89 1 99 ARG -6.28 -3.70 1 105 SER -4.45 -1.71 1 107 ALA -2.85 -1.86 1 108 ALA -6.14 -1.94 1 109 ASP 3.33 3.52 1 110 GLU -3.28 -1.04 1 111 VAL -5.61 -2.39 1 112 LYS -2.69 -1.16 1 113 ILE -6.82 -2.46 1 114 VAL -1.12 -1.10 1 115 TYR -1.95 -2.62 1 116 ASN 1.41 0.21 1 117 ALA 1.47 -0.18 1 119 HIS -0.01 2.14 1 120 LEU 1.44 0.78 1 121 ASP 4.81 3.45 1 122 TYR 2.21 0.20 1 123 LEU 0.42 0.25 1 124 GLN 3.82 3.68 1 125 ASN 4.31 1.76 1 126 ARG -1.55 -0.55 1 127 VAL 1.06 0.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 4.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.96 _LACS_plot.Line_2_terminator_val_x_2 7.85 _LACS_plot.Line_2_terminator_val_y_2 -2.27 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 GLN 1.78 -2.70 0 80 ILE -5.53 4.82 0 52 ALA 6.74 -4.03 0 73 SER -6.47 5.36 0 10 THR 3.57 -0.39 1 11 LEU 7.85 -2.74 1 12 ASP 3.05 0.06 1 13 ASP 2.70 0.33 1 16 TRP -6.32 2.30 1 17 ASP -5.87 4.70 1 18 MET 1.83 0.64 1 19 ASP 0.15 -0.28 1 20 ASP 1.72 -0.46 1 21 ASP 2.87 -0.38 1 22 ASP -0.73 -1.20 1 23 LEU 3.33 0.79 1 24 PHE 6.87 -2.09 1 25 GLU 3.98 -0.77 1 26 LYS 5.57 -2.28 1 27 ALA 2.93 -0.17 1 28 ALA 3.20 -0.77 1 29 ASP -0.93 1.16 1 30 ALA 0.35 0.56 1 32 LEU -1.67 0.76 1 33 ASP -1.02 1.60 1 35 GLU 2.57 -0.07 1 36 ASP 0.23 2.31 1 37 TYR -4.87 4.35 1 39 THR -4.17 2.24 1 40 MET -4.19 3.28 1 41 GLU -1.24 0.35 1 42 VAL -3.37 2.55 1 43 ALA -0.49 0.15 1 44 GLU 3.37 -0.80 1 46 GLU -3.18 1.54 1 47 TYR -2.05 -0.49 1 48 ILE 5.20 -0.18 1 49 LEU 3.25 0.17 1 50 GLU 3.34 -0.86 1 51 ALA 2.61 0.21 1 53 GLU 3.41 -0.91 1 54 ALA 3.29 -1.27 1 55 GLN 0.21 -1.10 1 57 TYR -2.89 -0.24 1 58 ASP -1.32 -0.09 1 59 TRP -1.46 -0.54 1 72 ALA 0.61 0.98 1 74 ILE -4.37 0.84 1 75 VAL -2.63 1.26 1 76 LYS -1.98 0.54 1 77 GLU -3.63 3.68 1 79 GLU -5.95 3.49 1 81 ASP -1.65 1.18 1 82 MET -4.56 4.01 1 83 ASP 0.56 0.07 1 84 MET 2.98 -1.14 1 85 GLN -0.48 -0.27 1 86 GLN -2.19 1.34 1 88 LEU -2.61 1.00 1 89 SER -3.11 1.86 1 90 ASP 4.92 -1.47 1 91 GLU 3.46 -0.25 1 92 GLU 4.05 -1.02 1 93 VAL 3.64 0.45 1 94 GLU 1.71 1.04 1 95 GLU -0.32 0.91 1 96 LYS 0.49 -0.45 1 97 ASP 4.01 -1.94 1 98 VAL 2.11 -1.22 1 99 ARG -6.28 2.58 1 105 SER -4.45 2.74 1 107 ALA -2.85 0.99 1 108 ALA -6.14 4.20 1 109 ASP 3.33 0.19 1 110 GLU -3.28 2.24 1 111 VAL -5.61 3.22 1 112 LYS -2.69 1.53 1 113 ILE -6.82 4.36 1 114 VAL -1.12 0.02 1 115 TYR -1.95 -0.67 1 116 ASN 1.41 -1.20 1 117 ALA 1.47 -1.65 1 119 HIS -0.01 2.15 1 120 LEU 1.44 -0.66 1 121 ASP 4.81 -1.36 1 122 TYR 2.21 -2.01 1 123 LEU 0.42 -0.17 1 124 GLN 3.82 -0.14 1 125 ASN 4.31 -2.55 1 126 ARG -1.55 1.00 1 127 VAL 1.06 -0.61 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 0.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.85 _LACS_plot.Line_2_terminator_val_y_2 -0.87 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 VAL -1.12 1.43 0 10 THR 3.57 -0.47 1 11 LEU 7.85 -0.65 1 12 ASP 3.05 -0.34 1 13 ASP 2.70 -0.43 1 14 GLN 1.78 -0.73 1 16 TRP -6.32 0.45 1 17 ASP -5.87 0.29 1 18 MET 1.83 -0.37 1 19 ASP 0.15 0.12 1 20 ASP 1.72 -0.17 1 21 ASP 2.87 -0.16 1 22 ASP -0.73 0.27 1 23 LEU 3.33 -1.10 1 24 PHE 6.87 -0.90 1 25 GLU 3.98 -0.43 1 26 LYS 5.57 -0.52 1 27 ALA 2.93 -0.50 1 28 ALA 3.20 -0.52 1 29 ASP -0.93 0.25 1 30 ALA 0.35 0.12 1 32 LEU -1.67 0.05 1 33 ASP -1.02 0.14 1 35 GLU 2.57 -0.75 1 36 ASP 0.23 0.51 1 37 TYR -4.87 0.84 1 39 THR -4.17 1.17 1 40 MET -4.19 0.49 1 41 GLU -1.24 0.55 1 42 VAL -3.37 0.00 1 43 ALA -0.49 0.02 1 44 GLU 3.37 -0.31 1 46 GLU -3.18 -0.22 1 47 TYR -2.05 0.59 1 48 ILE 5.20 -0.65 1 49 LEU 3.25 -0.40 1 50 GLU 3.34 -0.22 1 51 ALA 2.61 -0.19 1 52 ALA 6.74 -0.91 1 53 GLU 3.41 -0.24 1 54 ALA 3.29 -0.15 1 55 GLN 0.21 -0.29 1 57 TYR -2.89 0.40 1 58 ASP -1.32 0.62 1 59 TRP -1.46 0.44 1 72 ALA 0.61 0.95 1 73 SER -6.47 0.80 1 74 ILE -4.37 0.98 1 75 VAL -2.63 0.63 1 76 LYS -1.98 0.26 1 77 GLU -3.63 0.23 1 79 GLU -5.95 0.64 1 80 ILE -5.53 0.38 1 81 ASP -1.65 0.31 1 82 MET -4.56 0.97 1 83 ASP 0.56 0.09 1 84 MET 2.98 -0.19 1 85 GLN -0.48 0.34 1 88 LEU -2.61 0.40 1 89 SER -3.11 0.07 1 90 ASP 4.92 -0.19 1 91 GLU 3.46 -0.25 1 92 GLU 4.05 -0.65 1 93 VAL 3.64 -0.16 1 94 GLU 1.71 -0.07 1 95 GLU -0.32 0.33 1 96 LYS 0.49 0.21 1 97 ASP 4.01 -0.24 1 98 VAL 2.11 0.50 1 99 ARG -6.28 0.57 1 105 SER -4.45 0.86 1 107 ALA -2.85 0.45 1 108 ALA -6.14 0.25 1 109 ASP 3.33 -0.26 1 110 GLU -3.28 0.69 1 111 VAL -5.61 0.59 1 112 LYS -2.69 1.35 1 113 ILE -6.82 1.61 1 115 TYR -1.95 0.27 1 116 ASN 1.41 0.48 1 117 ALA 1.47 -0.77 1 119 HIS -0.01 -0.71 1 120 LEU 1.44 -0.43 1 121 ASP 4.81 -0.58 1 122 TYR 2.21 -0.08 1 123 LEU 0.42 0.01 1 124 GLN 3.82 -0.60 1 125 ASN 4.31 -0.26 1 126 ARG -1.55 0.17 1 127 VAL 1.06 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.82 _LACS_plot.Line_1_terminator_val_y_1 -2.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.47 _LACS_plot.Line_2_terminator_val_x_2 7.85 _LACS_plot.Line_2_terminator_val_y_2 2.66 _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 14 GLN 1.78 -5.00 0 10 THR 3.57 1.23 1 11 LEU 7.85 1.35 1 12 ASP 3.05 2.61 1 13 ASP 2.70 1.54 1 16 TRP -6.32 -2.12 1 17 ASP -5.87 -0.32 1 18 MET 1.83 -0.40 1 19 ASP 0.15 0.15 1 20 ASP 1.72 2.33 1 21 ASP 2.87 0.50 1 22 ASP -0.73 0.16 1 23 LEU 3.33 -1.09 1 24 PHE 6.87 2.45 1 25 GLU 3.98 2.57 1 26 LYS 5.57 3.61 1 27 ALA 2.93 1.11 1 28 ALA 3.20 1.30 1 29 ASP -0.93 0.60 1 30 ALA 0.35 -0.32 1 32 LEU -1.67 0.42 1 33 ASP -1.02 1.87 1 35 GLU 2.57 1.92 1 36 ASP 0.23 -0.91 1 37 TYR -4.87 -3.11 1 39 THR -4.17 -0.62 1 40 MET -4.19 -2.44 1 41 GLU -1.24 -0.50 1 42 VAL -3.37 -1.82 1 43 ALA -0.49 0.21 1 44 GLU 3.37 1.83 1 46 GLU -3.18 -1.41 1 47 TYR -2.05 2.89 1 48 ILE 5.20 0.26 1 49 LEU 3.25 -0.51 1 50 GLU 3.34 2.76 1 51 ALA 2.61 1.95 1 52 ALA 6.74 2.77 1 53 GLU 3.41 5.04 1 54 ALA 3.29 1.75 1 55 GLN 0.21 -0.41 1 57 TYR -2.89 -0.44 1 58 ASP -1.32 -1.04 1 72 ALA 0.61 -1.42 1 73 SER -6.47 -3.57 1 74 ILE -4.37 0.73 1 75 VAL -2.63 -2.11 1 76 LYS -1.98 -0.18 1 77 GLU -3.63 -1.09 1 79 GLU -5.95 -2.19 1 80 ILE -5.53 -1.71 1 81 ASP -1.65 -0.47 1 82 MET -4.56 0.04 1 83 ASP 0.56 -1.85 1 84 MET 2.98 -0.95 1 85 GLN -0.48 -0.65 1 88 LEU -2.61 0.49 1 89 SER -3.11 0.11 1 90 ASP 4.92 1.90 1 91 GLU 3.46 3.22 1 92 GLU 4.05 1.08 1 93 VAL 3.64 3.38 1 94 GLU 1.71 1.14 1 95 GLU -0.32 1.54 1 96 LYS 0.49 -1.48 1 97 ASP 4.01 -1.60 1 98 VAL 2.11 1.57 1 107 ALA -2.85 -2.70 1 108 ALA -6.14 -2.40 1 109 ASP 3.33 0.07 1 110 GLU -3.28 -1.91 1 111 VAL -5.61 -1.26 1 112 LYS -2.69 0.05 1 113 ILE -6.82 -1.93 1 114 VAL -1.12 1.20 1 115 TYR -1.95 -2.73 1 116 ASN 1.41 0.23 1 117 ALA 1.47 -2.06 1 119 HIS -0.01 1.65 1 120 LEU 1.44 1.39 1 121 ASP 4.81 2.99 1 122 TYR 2.21 -0.06 1 123 LEU 0.42 0.29 1 124 GLN 3.82 1.10 1 125 ASN 4.31 1.25 1 126 ARG -1.55 -0.97 1 stop_ save_