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 bmr7172_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 -3.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 8.63 _LACS_plot.Line_2_terminator_val_y_2 7.06 _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 128 GLU 1.49 -1.44 0 55 ILE 1.30 -1.56 0 67 TYR -3.43 -4.01 0 61 ARG -9.26 -2.74 0 10 ARG 4.92 3.71 1 11 ASP 4.10 2.64 1 12 ALA 3.77 3.05 1 13 PHE 5.24 5.13 1 14 GLN 3.78 3.15 1 15 ALA 2.22 2.72 1 16 LEU 3.65 2.61 1 17 GLU 3.62 3.19 1 18 LYS 4.64 4.42 1 19 LEU 4.86 3.59 1 20 SER 4.43 3.42 1 21 LYS -0.25 -0.43 1 22 LYS 6.62 2.04 1 23 GLN 0.65 0.57 1 24 LEU -6.09 -1.51 1 25 ASN -2.64 -1.27 1 26 TYR -1.02 0.75 1 27 VAL -5.24 -0.80 1 28 GLN -5.97 -1.86 1 29 LEU -4.77 -1.71 1 30 GLU -8.92 -3.37 1 31 ILE 0.24 0.34 1 32 ASP -1.38 -1.50 1 33 ILE 3.97 3.10 1 34 LYS 3.34 2.64 1 35 ASN -0.40 -0.16 1 36 GLU 4.31 0.78 1 37 THR -3.91 -1.19 1 38 ILE 1.75 1.05 1 39 ILE -4.47 -1.51 1 40 LEU -2.20 -0.37 1 41 ALA -1.66 0.63 1 42 ASN -0.83 1.80 1 43 THR -1.01 -1.36 1 44 GLU 0.57 1.23 1 45 ASN 2.18 2.07 1 46 THR -2.05 1.02 1 47 GLU -2.81 -1.96 1 48 LEU 5.46 4.74 1 49 ARG 3.52 2.16 1 50 ASP -1.76 0.36 1 51 LEU 8.64 6.29 1 53 LYS 1.92 1.13 1 54 ARG -0.64 -1.65 1 57 LYS 0.32 0.56 1 58 ASP -1.02 -0.65 1 59 SER -2.65 -1.15 1 60 ALA -1.39 -0.93 1 62 TYR -6.61 -3.91 1 63 HIS -6.25 -0.84 1 64 PHE -3.68 -0.69 1 65 PHE -6.71 -2.27 1 66 LEU -1.71 -1.14 1 68 LYS 1.91 -0.07 1 69 HIS -1.35 0.19 1 70 SER -2.62 -1.48 1 71 HIS -3.15 0.95 1 72 GLU 2.93 0.27 1 74 ASP -2.91 -1.10 1 75 TYR 0.02 0.33 1 76 LEU -4.08 -1.30 1 77 GLU -2.33 -1.83 1 78 SER -2.32 -0.57 1 79 VAL 3.19 1.68 1 80 VAL -4.23 -2.11 1 81 PHE -5.56 -2.68 1 82 ILE -5.60 -2.43 1 83 TYR -5.36 -4.38 1 84 SER -4.07 -1.38 1 88 TYR 1.10 0.58 1 89 THR 0.98 0.60 1 91 SER -1.13 -0.17 1 92 ILE 4.29 3.39 1 93 ARG 4.27 3.38 1 94 GLU 3.58 3.98 1 95 ARG 4.85 4.28 1 96 MET 4.21 3.44 1 97 LEU 3.24 3.04 1 98 TYR 5.15 3.79 1 99 SER 4.41 3.79 1 100 SER 3.60 3.43 1 102 LYS 4.79 4.31 1 103 SER 4.16 3.12 1 105 LEU 3.97 2.13 1 106 LEU 3.58 3.21 1 107 GLU 4.94 4.18 1 108 ILE 5.62 4.40 1 109 VAL 2.09 2.85 1 110 GLU 2.18 2.19 1 111 ARG 2.98 2.53 1 112 GLN -0.34 -0.33 1 113 LEU 4.36 1.08 1 114 GLN -2.10 0.27 1 115 MET -0.05 -0.59 1 116 ASP 1.22 -0.20 1 117 VAL 1.77 1.52 1 118 ILE -5.60 -2.01 1 119 ARG 0.26 -0.23 1 120 LYS -3.48 -0.57 1 121 ILE -2.75 -1.43 1 122 GLU -6.22 -2.40 1 123 ILE -2.35 -0.61 1 124 ASP -2.32 -0.67 1 125 ASN 3.38 2.06 1 127 ASP 0.24 0.42 1 129 LEU -3.60 -1.99 1 130 THR 3.92 3.41 1 131 ALA 3.05 2.65 1 132 ASP 2.34 3.19 1 133 PHE 3.91 2.55 1 134 LEU 6.42 5.96 1 135 TYR 3.05 2.47 1 136 ASP 1.20 1.19 1 137 GLU 4.10 3.54 1 138 VAL 0.18 -1.32 1 139 HIS 0.64 0.54 1 141 LYS 0.21 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7172_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 5.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 8.63 _LACS_plot.Line_2_terminator_val_y_2 -1.57 _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 128 GLU 1.49 -2.93 0 55 ILE 1.30 -2.86 0 67 TYR -3.43 -0.58 0 61 ARG -9.26 6.52 0 10 ARG 4.92 -1.21 1 11 ASP 4.10 -1.46 1 12 ALA 3.77 -0.72 1 13 PHE 5.24 -0.11 1 14 GLN 3.78 -0.63 1 15 ALA 2.22 0.50 1 16 LEU 3.65 -1.04 1 17 GLU 3.62 -0.43 1 18 LYS 4.64 -0.22 1 19 LEU 4.86 -1.27 1 20 SER 4.43 -1.01 1 21 LYS -0.25 -0.18 1 22 LYS 6.62 -4.58 1 23 GLN 0.65 -0.08 1 24 LEU -6.09 4.58 1 25 ASN -2.64 1.37 1 26 TYR -1.02 1.77 1 27 VAL -5.24 4.44 1 28 GLN -5.97 4.11 1 29 LEU -4.77 3.06 1 30 GLU -8.92 5.55 1 31 ILE 0.24 0.10 1 32 ASP -1.38 -0.12 1 33 ILE 3.97 -0.87 1 34 LYS 3.34 -0.70 1 35 ASN -0.40 0.24 1 36 GLU 4.31 -3.53 1 37 THR -3.91 2.72 1 38 ILE 1.75 -0.70 1 39 ILE -4.47 2.96 1 40 LEU -2.20 1.83 1 41 ALA -1.66 2.29 1 42 ASN -0.83 2.63 1 43 THR -1.01 -0.35 1 44 GLU 0.57 0.66 1 45 ASN 2.18 -0.11 1 46 THR -2.05 3.07 1 47 GLU -2.81 0.85 1 48 LEU 5.46 -0.72 1 49 ARG 3.52 -1.36 1 50 ASP -1.76 2.12 1 51 LEU 8.64 -2.35 1 53 LYS 1.92 -0.79 1 54 ARG -0.64 -1.01 1 57 LYS 0.32 0.24 1 58 ASP -1.02 0.37 1 59 SER -2.65 1.50 1 60 ALA -1.39 0.46 1 62 TYR -6.61 2.70 1 63 HIS -6.25 5.41 1 64 PHE -3.68 2.99 1 65 PHE -6.71 4.44 1 66 LEU -1.71 0.57 1 68 LYS 1.91 -1.98 1 69 HIS -1.35 1.54 1 70 SER -2.62 1.14 1 71 HIS -3.15 4.10 1 72 GLU 2.93 -2.66 1 74 ASP -2.91 1.81 1 75 TYR 0.02 0.31 1 76 LEU -4.08 2.78 1 77 GLU -2.33 0.50 1 78 SER -2.32 1.75 1 79 VAL 3.19 -1.51 1 80 VAL -4.23 2.12 1 81 PHE -5.56 2.88 1 82 ILE -5.60 3.17 1 83 TYR -5.36 0.98 1 84 SER -4.07 2.69 1 88 TYR 1.10 -0.52 1 89 THR 0.98 -0.38 1 91 SER -1.13 0.96 1 92 ILE 4.29 -0.90 1 93 ARG 4.27 -0.89 1 94 GLU 3.58 0.40 1 95 ARG 4.85 -0.57 1 96 MET 4.21 -0.77 1 97 LEU 3.24 -0.20 1 98 TYR 5.15 -1.36 1 99 SER 4.41 -0.62 1 100 SER 3.60 -0.17 1 102 LYS 4.79 -0.48 1 103 SER 4.16 -1.04 1 105 LEU 3.97 -1.84 1 106 LEU 3.58 -0.37 1 107 GLU 4.94 -0.76 1 108 ILE 5.62 -1.22 1 109 VAL 2.09 0.76 1 110 GLU 2.18 0.01 1 111 ARG 2.98 -0.45 1 112 GLN -0.34 0.01 1 113 LEU 4.36 -3.28 1 114 GLN -2.10 2.37 1 115 MET -0.05 -0.54 1 116 ASP 1.22 -1.42 1 117 VAL 1.77 -0.25 1 118 ILE -5.60 3.59 1 119 ARG 0.26 -0.49 1 120 LYS -3.48 2.91 1 121 ILE -2.75 1.32 1 122 GLU -6.22 3.82 1 123 ILE -2.35 1.74 1 124 ASP -2.32 1.65 1 125 ASN 3.38 -1.32 1 127 ASP 0.24 0.18 1 129 LEU -3.60 1.61 1 130 THR 3.92 -0.51 1 131 ALA 3.05 -0.40 1 132 ASP 2.34 0.85 1 133 PHE 3.91 -1.36 1 134 LEU 6.42 -0.46 1 135 TYR 3.05 -0.58 1 136 ASP 1.20 -0.01 1 137 GLU 4.10 -0.56 1 138 VAL 0.18 -1.50 1 139 HIS 0.64 -0.10 1 141 LYS 0.21 1.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7172_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 8.63 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _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 36 GLU 4.31 -1.39 0 61 ARG -9.26 0.14 0 10 ARG 4.92 -0.18 1 11 ASP 4.10 -0.22 1 12 ALA 3.77 -0.34 1 13 PHE 5.24 -0.82 1 14 GLN 3.78 -0.21 1 15 ALA 2.22 -0.24 1 16 LEU 3.65 -0.68 1 17 GLU 3.62 -0.66 1 18 LYS 4.64 -0.42 1 19 LEU 4.86 -0.19 1 20 SER 4.43 -0.29 1 21 LYS -0.25 0.12 1 22 LYS 6.62 -0.39 1 23 GLN 0.65 -0.07 1 24 LEU -6.09 0.20 1 25 ASN -2.64 0.09 1 26 TYR -1.02 0.94 1 27 VAL -5.24 0.06 1 28 GLN -5.97 0.81 1 29 LEU -4.77 1.08 1 30 GLU -8.92 0.71 1 31 ILE 0.24 0.05 1 32 ASP -1.38 0.07 1 33 ILE 3.97 -0.57 1 34 LYS 3.34 -0.24 1 35 ASN -0.40 -0.07 1 37 THR -3.91 0.32 1 38 ILE 1.75 0.41 1 39 ILE -4.47 0.78 1 40 LEU -2.20 0.04 1 41 ALA -1.66 0.49 1 42 ASN -0.83 0.13 1 43 THR -1.01 1.05 1 44 GLU 0.57 -0.29 1 45 ASN 2.18 0.04 1 46 THR -2.05 0.13 1 47 GLU -2.81 0.42 1 48 LEU 5.46 -0.32 1 49 ARG 3.52 -0.28 1 50 ASP -1.76 0.00 1 51 LEU 8.64 -1.20 1 53 LYS 1.92 -0.31 1 54 ARG -0.64 -0.32 1 55 ILE 1.30 -0.50 1 57 LYS 0.32 0.00 1 58 ASP -1.02 -0.08 1 59 SER -2.65 -0.16 1 60 ALA -1.39 0.14 1 62 TYR -6.61 0.94 1 63 HIS -6.25 0.74 1 64 PHE -3.68 0.80 1 65 PHE -6.71 0.97 1 66 LEU -1.71 0.03 1 67 TYR -3.43 0.25 1 68 LYS 1.91 0.65 1 69 HIS -1.35 0.17 1 70 SER -2.62 0.85 1 71 HIS -3.15 0.20 1 72 GLU 2.93 -0.76 1 74 ASP -2.91 0.27 1 75 TYR 0.02 0.10 1 76 LEU -4.08 -0.07 1 77 GLU -2.33 0.10 1 78 SER -2.32 0.32 1 79 VAL 3.19 0.44 1 80 VAL -4.23 0.61 1 81 PHE -5.56 0.66 1 82 ILE -5.60 0.50 1 83 TYR -5.36 0.98 1 84 SER -4.07 0.12 1 88 TYR 1.10 -0.05 1 89 THR 0.98 -0.13 1 91 SER -1.13 0.01 1 92 ILE 4.29 -0.36 1 93 ARG 4.27 -0.26 1 94 GLU 3.58 -0.37 1 95 ARG 4.85 -0.33 1 96 MET 4.21 -0.28 1 97 LEU 3.24 -0.27 1 98 TYR 5.15 -0.47 1 99 SER 4.41 -0.22 1 100 SER 3.60 -0.14 1 102 LYS 4.79 -0.85 1 103 SER 4.16 -0.38 1 105 LEU 3.97 -0.54 1 106 LEU 3.58 -0.26 1 107 GLU 4.94 -0.40 1 108 ILE 5.62 -0.61 1 109 VAL 2.09 0.00 1 110 GLU 2.18 -0.01 1 111 ARG 2.98 0.08 1 112 GLN -0.34 0.11 1 113 LEU 4.36 -0.32 1 114 GLN -2.10 -0.26 1 115 MET -0.05 -0.07 1 116 ASP 1.22 0.03 1 117 VAL 1.77 -0.06 1 118 ILE -5.60 0.17 1 119 ARG 0.26 0.96 1 120 LYS -3.48 0.24 1 121 ILE -2.75 1.03 1 122 GLU -6.22 0.54 1 123 ILE -2.35 0.03 1 124 ASP -2.32 -0.14 1 125 ASN 3.38 -0.46 1 127 ASP 0.24 -0.50 1 128 GLU 1.49 -0.32 1 129 LEU -3.60 -0.05 1 130 THR 3.92 -0.25 1 131 ALA 3.05 -0.17 1 132 ASP 2.34 -0.32 1 133 PHE 3.91 -0.96 1 134 LEU 6.42 -0.60 1 135 TYR 3.05 -0.43 1 136 ASP 1.20 -0.61 1 137 GLU 4.10 -0.93 1 138 VAL 0.18 -0.27 1 139 HIS 0.64 -0.01 1 141 LYS 0.21 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7172_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 -3.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 8.63 _LACS_plot.Line_2_terminator_val_y_2 3.05 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 LEU 8.64 -1.43 0 66 LEU -1.71 -6.23 0 10 ARG 4.92 2.71 1 11 ASP 4.10 3.13 1 12 ALA 3.77 0.35 1 13 PHE 5.24 1.86 1 14 GLN 3.78 2.84 1 15 ALA 2.22 1.33 1 16 LEU 3.65 1.12 1 17 GLU 3.62 3.76 1 18 LYS 4.64 3.23 1 19 LEU 4.86 2.55 1 20 SER 4.43 0.58 1 21 LYS -0.25 -1.17 1 22 LYS 6.62 -0.60 1 23 GLN 0.65 -0.01 1 24 LEU -6.09 -2.71 1 25 ASN -2.64 -0.91 1 26 TYR -1.02 -3.12 1 27 VAL -5.24 -3.33 1 28 GLN -5.97 -0.83 1 29 LEU -4.77 -3.72 1 30 GLU -8.92 -2.93 1 31 ILE 0.24 -1.14 1 32 ASP -1.38 0.45 1 33 ILE 3.97 0.98 1 34 LYS 3.34 1.35 1 35 ASN -0.40 -1.33 1 36 GLU 4.31 -3.29 1 37 THR -3.91 -2.43 1 38 ILE 1.75 -1.92 1 39 ILE -4.47 -1.62 1 40 LEU -2.20 -1.92 1 41 ALA -1.66 -0.49 1 42 ASN -0.83 -1.25 1 43 THR -1.01 0.92 1 44 GLU 0.57 0.98 1 45 ASN 2.18 1.51 1 46 THR -2.05 -2.42 1 47 GLU -2.81 1.42 1 48 LEU 5.46 2.35 1 49 ARG 3.52 -0.09 1 50 ASP -1.76 -0.30 1 53 LYS 1.92 1.91 1 54 ARG -0.64 -0.77 1 55 ILE 1.30 -0.91 1 57 LYS 0.32 0.65 1 58 ASP -1.02 -1.65 1 59 SER -2.65 -2.73 1 60 ALA -1.39 -1.71 1 61 ARG -9.26 -2.28 1 62 TYR -6.61 -0.82 1 63 HIS -6.25 0.18 1 64 PHE -3.68 -2.12 1 65 PHE -6.71 -3.60 1 67 TYR -3.43 -0.11 1 68 LYS 1.91 -0.81 1 69 HIS -1.35 -3.24 1 70 SER -2.62 -0.11 1 71 HIS -3.15 0.05 1 72 GLU 2.93 -0.88 1 74 ASP -2.91 -1.87 1 75 TYR 0.02 -1.75 1 76 LEU -4.08 -3.31 1 77 GLU -2.33 -1.52 1 78 SER -2.32 -1.43 1 79 VAL 3.19 -1.32 1 80 VAL -4.23 -2.01 1 81 PHE -5.56 -2.63 1 82 ILE -5.60 -3.29 1 83 TYR -5.36 -1.77 1 84 SER -4.07 -1.92 1 88 TYR 1.10 0.03 1 89 THR 0.98 -0.31 1 91 SER -1.13 0.56 1 92 ILE 4.29 1.53 1 93 ARG 4.27 1.95 1 94 GLU 3.58 1.53 1 95 ARG 4.85 3.03 1 96 MET 4.21 3.14 1 97 LEU 3.24 1.23 1 98 TYR 5.15 5.46 1 99 SER 4.41 2.14 1 100 SER 3.60 1.88 1 102 LYS 4.79 -0.36 1 103 SER 4.16 -0.09 1 105 LEU 3.97 1.07 1 106 LEU 3.58 2.58 1 107 GLU 4.94 2.26 1 108 ILE 5.62 0.80 1 109 VAL 2.09 2.19 1 110 GLU 2.18 1.93 1 111 ARG 2.98 1.75 1 112 GLN -0.34 -1.49 1 113 LEU 4.36 -1.04 1 114 GLN -2.10 -1.64 1 115 MET -0.05 -0.97 1 116 ASP 1.22 0.42 1 117 VAL 1.77 -1.34 1 118 ILE -5.60 -3.40 1 119 ARG 0.26 -1.49 1 120 LYS -3.48 -2.12 1 121 ILE -2.75 -1.30 1 122 GLU -6.22 -2.51 1 123 ILE -2.35 -0.62 1 124 ASP -2.32 0.46 1 125 ASN 3.38 1.12 1 127 ASP 0.24 0.69 1 128 GLU 1.49 -2.90 1 129 LEU -3.60 0.10 1 130 THR 3.92 2.31 1 131 ALA 3.05 1.00 1 132 ASP 2.34 1.70 1 133 PHE 3.91 0.20 1 134 LEU 6.42 1.34 1 135 TYR 3.05 2.03 1 136 ASP 1.20 1.93 1 137 GLU 4.10 -1.61 1 138 VAL 0.18 -2.05 1 139 HIS 0.64 -0.35 1 stop_ save_