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 bmr6586_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.78 _LACS_plot.Line_1_terminator_val_y_1 -10.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -6.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -8.76 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 -1.21 _LACS_plot.Y_axis_chem_shift_offset 7.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 ILE 8.23 -8.46 0 10 VAL 5.97 -3.05 1 11 GLU 2.91 -4.81 1 12 LYS 4.52 -4.20 1 13 TYR 0.59 -7.74 1 14 GLU 6.38 -2.12 1 15 LYS 5.65 -3.28 1 16 GLN 3.38 -3.91 1 17 ILE 6.67 -1.38 1 18 LYS 5.02 -3.42 1 19 HIS 5.16 -3.07 1 20 PHE 5.48 -3.01 1 22 MET -0.83 -8.36 1 23 LEU 1.18 -6.71 1 24 ARG -0.87 -6.12 1 25 ARG 0.26 -6.90 1 26 TRP 1.78 -4.86 1 27 ASP 4.68 -4.18 1 28 ASP 3.83 -4.25 1 29 SER 6.50 -2.26 1 30 GLN 6.49 -2.64 1 31 LYS 4.24 -4.20 1 32 TYR 4.84 -1.93 1 33 LEU 4.22 -5.30 1 34 SER 4.72 -3.40 1 35 ASP 1.14 -5.95 1 36 ASN -1.31 -8.32 1 37 VAL 4.63 -3.68 1 38 HIS 2.40 -4.70 1 39 LEU 1.04 -6.64 1 40 VAL 5.05 -7.30 1 42 GLU 3.61 -4.53 1 43 GLU 5.97 -2.62 1 44 THR 6.52 -2.36 1 45 ALA 5.41 -3.55 1 46 ASN 4.07 -4.22 1 47 TYR 4.77 -3.21 1 48 LEU 5.50 -3.24 1 49 VAL 2.32 -8.50 1 50 ILE 5.25 -3.93 1 51 TRP 1.50 -6.77 1 53 ILE 6.10 -2.23 1 54 ASP 5.10 -3.26 1 55 LEU 3.88 -4.23 1 56 GLU 3.96 -5.17 1 57 VAL 6.68 -2.51 1 58 GLU 0.64 -7.29 1 59 GLU 5.24 -5.95 1 60 LYS 1.60 -9.06 1 62 ALA 4.70 -4.61 1 63 LEU 3.95 -5.01 1 64 MET 8.09 -1.42 1 65 GLU 5.45 -2.97 1 66 GLN 4.66 -4.12 1 67 VAL 5.26 -4.25 1 68 ALA 4.42 -3.83 1 69 HIS 7.07 -1.09 1 70 GLN 0.90 -5.61 1 72 ILE 5.18 -7.26 1 74 MET 4.76 -6.52 1 75 GLN 5.50 -3.13 1 76 PHE 5.13 -2.94 1 79 GLU 3.31 -4.83 1 80 LEU 4.37 -4.37 1 81 ALA 4.14 -4.11 1 82 LYS 4.66 -3.92 1 83 SER 4.02 -4.03 1 84 LEU -0.02 -6.78 1 85 LYS 5.73 -6.18 1 86 VAL -5.78 -10.34 1 87 ASP -2.83 -8.86 1 89 ARG 5.35 -3.58 1 90 ALA 0.31 -6.95 1 92 PHE 4.63 -3.65 1 93 ARG 6.28 -3.29 1 94 GLN 4.72 -4.20 1 95 PHE 4.43 -3.50 1 96 PHE 5.77 -3.08 1 97 THR 5.87 -2.58 1 98 LYS 4.94 -4.06 1 99 ILE 3.69 -6.55 1 100 LYS 3.25 -5.05 1 101 THR 0.57 -6.54 1 102 ALA 1.80 -6.52 1 103 ASP -0.42 -7.30 1 104 ARG 4.86 -3.93 1 105 GLN 5.29 -3.49 1 106 TYR 4.42 -3.42 1 107 MET 4.06 -5.45 1 108 GLU 4.54 -4.10 1 110 PHE 5.70 -2.94 1 111 ASN 4.43 -3.72 1 112 ASP 4.68 -3.97 1 113 GLU 4.03 -5.10 1 114 LEU 5.00 -3.74 1 115 GLU 4.25 -4.46 1 116 ALA 4.13 -4.61 1 117 PHE 3.98 -3.65 1 118 LYS 6.86 -2.29 1 119 GLU 4.18 -4.39 1 120 ARG 5.36 -3.36 1 121 VAL 7.10 -2.34 1 122 ARG 6.56 -2.44 1 124 ARG 4.08 -4.71 1 125 ALA 2.82 -4.71 1 126 LYS 4.45 -4.13 1 127 LEU 3.03 -5.15 1 128 ARG 3.37 -4.85 1 129 ILE 3.20 -4.71 1 130 GLU 2.27 -5.59 1 131 LYS 1.97 -6.40 1 132 ALA 0.80 -6.95 1 133 MET 1.82 -5.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6586_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.78 _LACS_plot.Line_1_terminator_val_y_1 -4.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -8.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -6.76 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 -9.44 _LACS_plot.Y_axis_chem_shift_offset 7.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 ILE 8.23 -16.69 0 10 VAL 5.97 -9.02 1 11 GLU 2.91 -7.72 1 12 LYS 4.52 -8.72 1 13 TYR 0.59 -8.33 1 14 GLU 6.38 -8.50 1 15 LYS 5.65 -8.93 1 16 GLN 3.38 -7.29 1 17 ILE 6.67 -8.05 1 18 LYS 5.02 -8.44 1 19 HIS 5.16 -8.23 1 20 PHE 5.48 -8.49 1 22 MET -0.83 -7.53 1 23 LEU 1.18 -7.89 1 24 ARG -0.87 -5.25 1 25 ARG 0.26 -7.16 1 26 TRP 1.78 -6.64 1 27 ASP 4.68 -8.86 1 28 ASP 3.83 -8.08 1 29 SER 6.50 -8.76 1 30 GLN 6.49 -9.13 1 31 LYS 4.24 -8.44 1 32 TYR 4.84 -6.77 1 33 LEU 4.22 -9.52 1 34 SER 4.72 -8.12 1 35 ASP 1.14 -7.09 1 36 ASN -1.31 -7.01 1 37 VAL 4.63 -8.31 1 38 HIS 2.40 -7.10 1 39 LEU 1.04 -7.68 1 40 VAL 5.05 -12.35 1 42 GLU 3.61 -8.14 1 43 GLU 5.97 -8.59 1 44 THR 6.52 -8.88 1 45 ALA 5.41 -8.96 1 46 ASN 4.07 -8.29 1 47 TYR 4.77 -7.98 1 48 LEU 5.50 -8.74 1 49 VAL 2.32 -10.82 1 50 ILE 5.25 -9.18 1 51 TRP 1.50 -8.27 1 53 ILE 6.10 -8.33 1 54 ASP 5.10 -8.36 1 55 LEU 3.88 -8.11 1 56 GLU 3.96 -9.13 1 57 VAL 6.68 -9.19 1 58 GLU 0.64 -7.93 1 59 GLU 5.24 -11.19 1 60 LYS 1.60 -10.66 1 62 ALA 4.70 -9.31 1 63 LEU 3.95 -8.96 1 64 MET 8.09 -9.51 1 65 GLU 5.45 -8.42 1 66 GLN 4.66 -8.78 1 67 VAL 5.26 -9.51 1 68 ALA 4.42 -8.25 1 69 HIS 7.07 -8.16 1 70 GLN 0.90 -6.51 1 72 ILE 5.18 -12.44 1 74 MET 4.76 -11.28 1 75 GLN 5.50 -8.63 1 76 PHE 5.13 -8.07 1 79 GLU 3.31 -8.14 1 80 LEU 4.37 -8.74 1 81 ALA 4.14 -8.25 1 82 LYS 4.66 -8.58 1 83 SER 4.02 -8.05 1 84 LEU -0.02 -6.76 1 85 LYS 5.73 -11.91 1 86 VAL -5.78 -4.56 1 87 ASP -2.83 -6.03 1 89 ARG 5.35 -8.93 1 90 ALA 0.31 -7.26 1 92 PHE 4.63 -8.28 1 93 ARG 6.28 -9.57 1 94 GLN 4.72 -8.92 1 95 PHE 4.43 -7.93 1 96 PHE 5.77 -8.85 1 97 THR 5.87 -8.45 1 98 LYS 4.94 -9.00 1 99 ILE 3.69 -10.24 1 100 LYS 3.25 -8.30 1 101 THR 0.57 -7.11 1 102 ALA 1.80 -8.32 1 103 ASP -0.42 -6.88 1 104 ARG 4.86 -8.79 1 105 GLN 5.29 -8.78 1 106 TYR 4.42 -7.84 1 107 MET 4.06 -9.51 1 108 GLU 4.54 -8.64 1 110 PHE 5.70 -8.64 1 111 ASN 4.43 -8.15 1 112 ASP 4.68 -8.65 1 113 GLU 4.03 -9.13 1 114 LEU 5.00 -8.74 1 115 GLU 4.25 -8.71 1 116 ALA 4.13 -8.74 1 117 PHE 3.98 -7.63 1 118 LYS 6.86 -9.15 1 119 GLU 4.18 -8.57 1 120 ARG 5.36 -8.72 1 121 VAL 7.10 -9.44 1 122 ARG 6.56 -9.00 1 124 ARG 4.08 -8.79 1 125 ALA 2.82 -7.53 1 126 LYS 4.45 -8.58 1 127 LEU 3.03 -8.18 1 128 ARG 3.37 -8.22 1 129 ILE 3.20 -7.91 1 130 GLU 2.27 -7.86 1 131 LYS 1.97 -8.37 1 132 ALA 0.80 -7.75 1 133 MET 1.82 -7.37 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6586_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.78 _LACS_plot.Line_1_terminator_val_y_1 0.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _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 86 VAL -5.78 0.50 0 10 VAL 5.97 -0.83 1 11 GLU 2.91 -0.41 1 12 LYS 4.52 -0.61 1 13 TYR 0.59 -0.34 1 14 GLU 6.38 -1.03 1 15 LYS 5.65 -0.47 1 16 GLN 3.38 0.17 1 17 ILE 6.67 -0.54 1 18 LYS 5.02 -0.11 1 19 HIS 5.16 -0.70 1 20 PHE 5.48 -0.72 1 22 MET -0.83 0.05 1 24 ARG -0.87 -0.32 1 25 ARG 0.26 0.69 1 26 TRP 1.78 0.11 1 27 ASP 4.68 -0.29 1 28 ASP 3.83 -0.11 1 29 SER 6.50 0.22 1 30 GLN 6.49 -1.12 1 31 LYS 4.24 -0.28 1 32 TYR 4.84 -0.28 1 33 LEU 4.22 0.36 1 34 SER 4.72 -0.24 1 35 ASP 1.14 -0.11 1 36 ASN -1.31 0.08 1 37 VAL 4.63 -0.34 1 38 HIS 2.40 -0.48 1 39 LEU 1.04 -0.46 1 40 VAL 5.05 -0.41 1 42 GLU 3.61 -0.46 1 43 GLU 5.97 -0.35 1 44 THR 6.52 0.16 1 45 ALA 5.41 -0.28 1 46 ASN 4.07 -0.28 1 47 TYR 4.77 -0.36 1 48 LEU 5.50 -1.20 1 49 VAL 2.32 -0.32 1 50 ILE 5.25 -0.54 1 51 TRP 1.50 0.13 1 53 ILE 6.10 -0.69 1 54 ASP 5.10 -0.35 1 56 GLU 3.96 -0.35 1 57 VAL 6.68 -0.51 1 58 GLU 0.64 -0.12 1 59 GLU 5.24 -0.49 1 60 LYS 1.60 0.40 1 62 ALA 4.70 -0.11 1 64 MET 8.09 -0.94 1 65 GLU 5.45 -0.60 1 66 GLN 4.66 -0.34 1 67 VAL 5.26 0.11 1 68 ALA 4.42 -0.17 1 69 HIS 7.07 -0.68 1 70 GLN 0.90 -0.22 1 72 ILE 5.18 -0.46 1 74 MET 4.76 0.12 1 75 GLN 5.50 -0.36 1 76 PHE 5.13 -0.55 1 77 ILE 8.23 -0.76 1 79 GLU 3.31 -0.16 1 80 LEU 4.37 0.14 1 81 ALA 4.14 -0.70 1 82 LYS 4.66 -0.21 1 83 SER 4.02 -0.22 1 85 LYS 5.73 -0.39 1 89 ARG 5.35 -0.27 1 90 ALA 0.31 0.24 1 92 PHE 4.63 -0.15 1 93 ARG 6.28 -0.35 1 94 GLN 4.72 -0.31 1 95 PHE 4.43 -0.60 1 96 PHE 5.77 -1.04 1 97 THR 5.87 -0.29 1 98 LYS 4.94 -0.59 1 100 LYS 3.25 -0.38 1 101 THR 0.57 0.04 1 102 ALA 1.80 -0.28 1 103 ASP -0.42 -0.12 1 104 ARG 4.86 -0.27 1 105 GLN 5.29 -0.19 1 106 TYR 4.42 -0.22 1 107 MET 4.06 -0.13 1 108 GLU 4.54 -0.18 1 110 PHE 5.70 -0.81 1 111 ASN 4.43 -0.26 1 112 ASP 4.68 -0.16 1 113 GLU 4.03 -0.08 1 114 LEU 5.00 -0.27 1 115 GLU 4.25 -0.32 1 116 ALA 4.13 -0.14 1 117 PHE 3.98 -0.52 1 118 LYS 6.86 -0.88 1 119 GLU 4.18 -0.30 1 120 ARG 5.36 -0.26 1 127 LEU 3.03 -0.09 1 129 ILE 3.20 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6586_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.78 _LACS_plot.Line_1_terminator_val_y_1 -7.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -5.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -6.32 _LACS_plot.Line_2_terminator_val_x_2 8.23 _LACS_plot.Line_2_terminator_val_y_2 -4.03 _LACS_plot.Y_axis_chem_shift_offset 5.96 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 VAL -5.78 -8.52 0 10 VAL 5.97 -5.67 1 11 GLU 2.91 -3.40 1 12 LYS 4.52 -3.91 1 13 TYR 0.59 -6.11 1 14 GLU 6.38 -6.21 1 15 LYS 5.65 -4.96 1 16 GLN 3.38 -3.92 1 17 ILE 6.67 -4.31 1 18 LYS 5.02 -2.75 1 19 HIS 5.16 -2.51 1 20 PHE 5.48 -4.62 1 22 MET -0.83 -5.27 1 23 LEU 1.18 -9.14 1 24 ARG -0.87 -5.79 1 25 ARG 0.26 -4.77 1 26 TRP 1.78 -4.01 1 27 ASP 4.68 -3.63 1 28 ASP 3.83 -3.89 1 29 SER 6.50 -6.82 1 30 GLN 6.49 -4.78 1 31 LYS 4.24 -5.54 1 32 TYR 4.84 -3.44 1 33 LEU 4.22 -6.67 1 34 SER 4.72 -4.71 1 35 ASP 1.14 -7.06 1 36 ASN -1.31 -5.35 1 37 VAL 4.63 -5.64 1 38 HIS 2.40 -4.31 1 39 LEU 1.04 -5.96 1 40 VAL 5.05 -10.65 1 42 GLU 3.61 -5.47 1 43 GLU 5.97 -3.62 1 44 THR 6.52 -5.58 1 45 ALA 5.41 -6.27 1 46 ASN 4.07 -3.93 1 47 TYR 4.77 -4.53 1 48 LEU 5.50 -6.34 1 49 VAL 2.32 -5.70 1 50 ILE 5.25 -4.61 1 51 TRP 1.50 -4.83 1 53 ILE 6.10 -5.63 1 54 ASP 5.10 -3.74 1 55 LEU 3.88 -5.62 1 56 GLU 3.96 -2.22 1 57 VAL 6.68 -5.33 1 58 GLU 0.64 -8.42 1 59 GLU 5.24 -6.39 1 60 LYS 1.60 -5.83 1 62 ALA 4.70 -8.31 1 63 LEU 3.95 -5.97 1 64 MET 8.09 -5.12 1 65 GLU 5.45 -4.06 1 66 GLN 4.66 -4.76 1 67 VAL 5.26 -1.47 1 68 ALA 4.42 -5.56 1 69 HIS 7.07 -4.45 1 70 GLN 0.90 -5.18 1 72 ILE 5.18 -1.83 1 74 MET 4.76 -5.04 1 75 GLN 5.50 -3.78 1 76 PHE 5.13 -2.84 1 77 ILE 8.23 -3.99 1 79 GLU 3.31 -3.99 1 80 LEU 4.37 -5.23 1 81 ALA 4.14 -4.60 1 82 LYS 4.66 -3.11 1 83 SER 4.02 -5.08 1 84 LEU -0.02 -7.87 1 85 LYS 5.73 -7.39 1 89 ARG 5.35 -5.98 1 90 ALA 0.31 -5.37 1 92 PHE 4.63 -5.95 1 93 ARG 6.28 -4.19 1 94 GLN 4.72 -3.67 1 95 PHE 4.43 -7.36 1 96 PHE 5.77 -4.54 1 97 THR 5.87 -5.12 1 98 LYS 4.94 -4.12 1 99 ILE 3.69 -5.59 1 100 LYS 3.25 -5.38 1 101 THR 0.57 -6.78 1 102 ALA 1.80 -7.30 1 103 ASP -0.42 -6.24 1 104 ARG 4.86 -4.83 1 105 GLN 5.29 -7.91 1 106 TYR 4.42 -3.73 1 107 MET 4.06 -4.24 1 108 GLU 4.54 -4.15 1 110 PHE 5.70 -6.14 1 111 ASN 4.43 -3.49 1 112 ASP 4.68 -3.31 1 113 GLU 4.03 -4.33 1 114 LEU 5.00 -5.94 1 115 GLU 4.25 -3.70 1 116 ALA 4.13 -3.70 1 117 PHE 3.98 -5.29 1 118 LYS 6.86 -4.85 1 119 GLU 4.18 -3.65 1 120 ARG 5.36 -2.95 1 121 VAL 7.10 -5.04 1 122 ARG 6.56 -3.32 1 124 ARG 4.08 -3.34 1 125 ALA 2.82 -5.72 1 126 LYS 4.45 -4.70 1 127 LEU 3.03 -5.38 1 128 ARG 3.37 -4.51 1 129 ILE 3.20 -5.22 1 130 GLU 2.27 -5.44 1 stop_ save_