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 bmr27847_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.12 _LACS_plot.Line_1_terminator_val_y_1 -2.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 9.20 _LACS_plot.Line_2_terminator_val_y_2 6.74 _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 128 HIS 3.09 5.01 0 121 PHE -5.12 -0.52 0 11 VAL 0.30 -0.09 1 12 TYR -0.02 -0.16 1 13 ARG -0.53 -0.43 1 14 ASP 0.38 0.43 1 15 HIS 1.01 1.05 1 16 SER 0.38 0.32 1 17 GLU -0.03 -0.02 1 18 LYS 0.77 0.13 1 19 LYS 0.37 -0.08 1 20 GLU -0.40 -0.22 1 21 LEU -0.94 -0.35 1 23 GLN 0.42 0.52 1 24 ASP 0.38 0.43 1 25 GLU 0.84 0.65 1 26 GLN 0.70 1.26 1 27 GLN 0.58 0.34 1 28 ASP 0.54 0.42 1 29 GLN 0.60 0.40 1 30 ASP 0.52 0.42 1 31 HIS 0.97 0.92 1 32 THR 1.39 1.24 1 33 GLN 0.91 0.46 1 34 GLU 0.21 0.24 1 35 ALA 0.63 0.20 1 36 ARG 0.63 0.14 1 37 ASN 0.61 0.50 1 38 GLN 0.73 0.46 1 39 ASP 0.73 0.66 1 40 SER 0.55 0.47 1 41 ASP 0.61 0.50 1 42 ASN 0.77 0.59 1 43 THR 1.37 1.18 1 44 GLN 1.14 0.60 1 45 SER 0.62 0.54 1 46 GLU 1.43 1.02 1 47 HIS 1.15 1.67 1 48 SER 1.24 1.22 1 49 PHE -1.16 0.55 1 50 GLU 4.55 3.47 1 51 GLU 3.26 2.65 1 52 MET 4.50 2.03 1 53 TYR 4.87 4.20 1 54 ARG 4.98 3.79 1 55 HIS 3.63 4.48 1 56 ILE 5.14 4.15 1 57 LEU 4.26 3.20 1 58 ARG 2.81 2.13 1 59 SER 1.39 1.79 1 60 GLN 0.03 1.07 1 63 PHE 4.48 2.72 1 64 ASP 3.58 2.84 1 65 ALA 4.41 3.19 1 66 VAL 7.04 4.69 1 67 LEU 4.82 3.02 1 68 TYR 4.36 3.69 1 69 TYR 3.57 3.41 1 70 HIS 4.42 4.77 1 71 MET 3.79 2.69 1 72 MET 2.12 0.51 1 73 LYS 0.81 -0.08 1 74 ASP 1.90 0.58 1 75 GLU -2.85 -0.59 1 77 VAL -4.55 -2.11 1 78 VAL 0.61 -0.14 1 79 PHE -4.69 -2.26 1 80 SER -4.41 -2.06 1 81 THR -1.42 -0.84 1 82 SER 4.50 3.58 1 83 ASP 0.37 -0.84 1 85 LYS 1.36 -0.62 1 86 GLU -3.75 -1.71 1 87 TYR -4.94 -1.04 1 88 THR -1.17 0.10 1 89 TYR -4.09 -1.14 1 91 ASP 6.28 4.75 1 92 SER 3.93 4.11 1 93 LEU 3.94 1.71 1 94 GLU -0.13 -0.42 1 95 GLU -0.80 -1.00 1 96 GLU 1.79 1.56 1 97 TYR -3.17 -3.07 1 100 TRP 2.86 0.29 1 101 LEU 0.08 -0.68 1 102 THR -1.96 -0.76 1 103 GLU 3.22 2.45 1 104 LYS 3.83 2.62 1 105 GLU 1.18 1.90 1 106 ALA 2.61 0.56 1 107 MET 2.06 0.78 1 108 ASN -1.13 -1.06 1 109 GLU 3.74 3.20 1 110 GLU 3.93 2.75 1 111 ASN 1.34 0.76 1 112 ARG 1.27 1.31 1 113 PHE -0.14 0.26 1 114 VAL -5.10 -3.16 1 115 THR -0.41 -0.29 1 116 LEU -2.39 -0.50 1 117 ASP 3.00 1.51 1 119 GLN -4.16 -1.66 1 120 GLN -1.92 -0.35 1 122 TYR -1.33 -1.51 1 123 TRP 9.20 7.03 1 125 VAL -0.31 -1.90 1 126 MET -2.61 0.66 1 127 ASN -0.69 -1.52 1 129 LYS 5.42 3.55 1 130 ASN 4.49 2.49 1 131 LYS 2.86 4.41 1 132 PHE 4.49 4.77 1 133 MET 4.46 1.70 1 134 ALA 4.47 3.13 1 135 ILE 6.43 5.18 1 136 LEU 5.75 3.67 1 137 GLN 3.69 2.56 1 138 HIS 4.94 3.24 1 139 HIS 0.01 0.91 1 140 GLN 1.55 1.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27847_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.12 _LACS_plot.Line_1_terminator_val_y_1 2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.50 _LACS_plot.Line_2_terminator_val_x_2 9.20 _LACS_plot.Line_2_terminator_val_y_2 -2.46 _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 128 HIS 3.09 1.92 0 121 PHE -5.12 4.60 0 11 VAL 0.30 -0.39 1 12 TYR -0.02 -0.14 1 13 ARG -0.53 0.10 1 14 ASP 0.38 0.05 1 15 HIS 1.01 0.04 1 16 SER 0.38 -0.06 1 17 GLU -0.03 0.01 1 18 LYS 0.77 -0.64 1 19 LYS 0.37 -0.45 1 20 GLU -0.40 0.18 1 21 LEU -0.94 0.59 1 23 GLN 0.42 0.10 1 24 ASP 0.38 0.05 1 25 GLU 0.84 -0.19 1 26 GLN 0.70 0.56 1 27 GLN 0.58 -0.24 1 28 ASP 0.54 -0.12 1 29 GLN 0.60 -0.20 1 30 ASP 0.52 -0.10 1 31 HIS 0.97 -0.05 1 32 THR 1.39 -0.15 1 33 GLN 0.91 -0.45 1 34 GLU 0.21 0.03 1 35 ALA 0.63 -0.43 1 36 ARG 0.63 -0.49 1 37 ASN 0.61 -0.11 1 38 GLN 0.73 -0.27 1 39 ASP 0.73 -0.07 1 40 SER 0.55 -0.08 1 41 ASP 0.61 -0.11 1 42 ASN 0.77 -0.18 1 43 THR 1.37 -0.19 1 44 GLN 1.14 -0.54 1 45 SER 0.62 -0.08 1 46 GLU 1.43 -0.41 1 47 HIS 1.15 0.52 1 48 SER 1.24 -0.02 1 49 PHE -1.16 1.71 1 50 GLU 4.55 -1.08 1 51 GLU 3.26 -0.61 1 52 MET 4.50 -2.47 1 53 TYR 4.87 -0.67 1 54 ARG 4.98 -1.19 1 55 HIS 3.63 0.85 1 56 ILE 5.14 -0.99 1 57 LEU 4.26 -1.06 1 58 ARG 2.81 -0.68 1 59 SER 1.39 0.40 1 60 GLN 0.03 1.04 1 63 PHE 4.48 -1.76 1 64 ASP 3.58 -0.74 1 65 ALA 4.41 -1.22 1 66 VAL 7.04 -2.35 1 67 LEU 4.82 -1.80 1 68 TYR 4.36 -0.67 1 69 TYR 3.57 -0.16 1 70 HIS 4.42 0.35 1 71 MET 3.79 -1.10 1 72 MET 2.12 -1.61 1 73 LYS 0.81 -0.89 1 74 ASP 1.90 -1.32 1 75 GLU -2.85 2.26 1 77 VAL -4.55 2.44 1 78 VAL 0.61 -0.75 1 79 PHE -4.69 2.43 1 80 SER -4.41 2.35 1 81 THR -1.42 0.58 1 82 SER 4.50 -0.92 1 83 ASP 0.37 -1.21 1 85 LYS 1.36 -1.98 1 86 GLU -3.75 2.04 1 87 TYR -4.94 3.90 1 88 THR -1.17 1.27 1 89 TYR -4.09 2.95 1 91 ASP 6.28 -1.53 1 92 SER 3.93 0.18 1 93 LEU 3.94 -2.23 1 94 GLU -0.13 -0.29 1 95 GLU -0.80 -0.20 1 96 GLU 1.79 -0.23 1 97 TYR -3.17 0.10 1 100 TRP 2.86 -2.57 1 101 LEU 0.08 -0.76 1 102 THR -1.96 1.20 1 103 GLU 3.22 -0.77 1 104 LYS 3.83 -1.21 1 105 GLU 1.18 0.72 1 106 ALA 2.61 -2.05 1 107 MET 2.06 -1.28 1 108 ASN -1.13 0.07 1 109 GLU 3.74 -0.54 1 110 GLU 3.93 -1.18 1 111 ASN 1.34 -0.58 1 112 ARG 1.27 0.04 1 113 PHE -0.14 0.40 1 114 VAL -5.10 1.94 1 115 THR -0.41 0.12 1 116 LEU -2.39 1.89 1 117 ASP 3.00 -1.49 1 119 GLN -4.16 2.50 1 120 GLN -1.92 1.57 1 122 TYR -1.33 -0.18 1 123 TRP 9.20 -2.17 1 125 VAL -0.31 -1.59 1 126 MET -2.61 3.27 1 127 ASN -0.69 -0.83 1 129 LYS 5.42 -1.87 1 130 ASN 4.49 -2.00 1 131 LYS 2.86 1.55 1 132 PHE 4.49 0.28 1 133 MET 4.46 -2.76 1 134 ALA 4.47 -1.34 1 135 ILE 6.43 -1.25 1 136 LEU 5.75 -2.08 1 137 GLN 3.69 -1.13 1 138 HIS 4.94 -1.70 1 139 HIS 0.01 0.90 1 140 GLN 1.55 0.43 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27847_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.12 _LACS_plot.Line_1_terminator_val_y_1 -1.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.69 _LACS_plot.Line_2_terminator_val_x_2 9.20 _LACS_plot.Line_2_terminator_val_y_2 3.41 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 TRP 9.20 -2.20 0 11 VAL 0.30 -0.41 1 12 TYR -0.02 -0.44 1 13 ARG -0.53 -0.80 1 16 SER 0.38 0.16 1 17 GLU -0.03 -0.21 1 18 LYS 0.77 -0.21 1 19 LYS 0.37 -0.25 1 20 GLU -0.40 -1.40 1 21 LEU -0.94 0.02 1 23 GLN 0.42 -0.20 1 25 GLU 0.84 0.47 1 26 GLN 0.70 0.71 1 27 GLN 0.58 0.26 1 28 ASP 0.54 0.20 1 29 GLN 0.60 -0.15 1 30 ASP 0.52 0.20 1 31 HIS 0.97 1.30 1 32 THR 1.39 0.43 1 33 GLN 0.91 0.25 1 34 GLU 0.21 -0.09 1 35 ALA 0.63 0.11 1 36 ARG 0.63 0.09 1 39 ASP 0.73 0.34 1 40 SER 0.55 -0.07 1 41 ASP 0.61 0.08 1 42 ASN 0.77 0.77 1 43 THR 1.37 0.54 1 44 GLN 1.14 0.46 1 45 SER 0.62 0.49 1 46 GLU 1.43 0.59 1 47 HIS 1.15 1.75 1 48 SER 1.24 1.33 1 49 PHE -1.16 3.24 1 50 GLU 4.55 2.49 1 51 GLU 3.26 3.18 1 52 MET 4.50 1.76 1 53 TYR 4.87 0.80 1 54 ARG 4.98 2.51 1 55 HIS 3.63 4.62 1 56 ILE 5.14 1.67 1 57 LEU 4.26 0.75 1 58 ARG 2.81 1.26 1 59 SER 1.39 0.45 1 60 GLN 0.03 0.20 1 63 PHE 4.48 -0.33 1 64 ASP 3.58 2.24 1 65 ALA 4.41 0.58 1 66 VAL 7.04 1.02 1 67 LEU 4.82 1.79 1 68 TYR 4.36 0.85 1 69 TYR 3.57 2.02 1 70 HIS 4.42 3.44 1 71 MET 3.79 2.33 1 72 MET 2.12 2.58 1 73 LYS 0.81 0.12 1 74 ASP 1.90 -2.12 1 75 GLU -2.85 -1.37 1 77 VAL -4.55 -1.17 1 78 VAL 0.61 -0.25 1 79 PHE -4.69 -3.60 1 80 SER -4.41 0.72 1 81 THR -1.42 3.47 1 82 SER 4.50 0.50 1 83 ASP 0.37 0.87 1 85 LYS 1.36 -1.86 1 86 GLU -3.75 -1.36 1 87 TYR -4.94 -2.73 1 88 THR -1.17 -0.47 1 89 TYR -4.09 -0.14 1 91 ASP 6.28 2.38 1 92 SER 3.93 -0.13 1 93 LEU 3.94 -0.90 1 94 GLU -0.13 0.47 1 95 GLU -0.80 0.97 1 96 GLU 1.79 -3.43 1 97 TYR -3.17 -4.27 1 100 TRP 2.86 0.02 1 101 LEU 0.08 0.07 1 102 THR -1.96 0.45 1 103 GLU 3.22 1.99 1 104 LYS 3.83 3.40 1 105 GLU 1.18 2.35 1 106 ALA 2.61 -0.80 1 107 MET 2.06 -0.74 1 108 ASN -1.13 1.02 1 109 GLU 3.74 1.98 1 110 GLU 3.93 2.59 1 111 ASN 1.34 0.33 1 112 ARG 1.27 -1.56 1 113 PHE -0.14 0.46 1 114 VAL -5.10 -1.66 1 115 THR -0.41 -0.62 1 116 LEU -2.39 -1.54 1 117 ASP 3.00 0.35 1 119 GLN -4.16 -2.38 1 120 GLN -1.92 -0.04 1 121 PHE -5.12 -1.96 1 122 TYR -1.33 -1.02 1 125 VAL -0.31 0.51 1 126 MET -2.61 -0.37 1 127 ASN -0.69 -0.18 1 128 HIS 3.09 2.40 1 129 LYS 5.42 1.34 1 130 ASN 4.49 2.80 1 131 LYS 2.86 1.50 1 132 PHE 4.49 1.84 1 133 MET 4.46 3.03 1 134 ALA 4.47 3.30 1 135 ILE 6.43 1.56 1 136 LEU 5.75 3.50 1 137 GLN 3.69 1.63 1 138 HIS 4.94 0.73 1 139 HIS 0.01 -1.17 1 140 GLN 1.55 4.78 1 stop_ save_