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 bmr30062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.61 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 5.24 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 PHE 0.91 -1.84 0 97 ASN -6.17 -1.73 0 10 ALA 4.29 3.14 1 11 GLU 3.46 2.79 1 12 PHE 3.27 1.39 1 13 LYS 5.09 3.95 1 14 GLU 3.72 3.01 1 15 ALA 3.58 2.87 1 16 PHE 4.16 4.29 1 17 SER 3.60 3.22 1 18 LEU 3.25 2.23 1 19 PHE -0.07 1.48 1 20 ASP 0.18 -1.73 1 21 LYS 2.75 2.25 1 22 ASP 0.23 -1.30 1 24 ASP 0.26 -0.35 1 26 THR -4.79 -1.94 1 27 ILE -1.26 -0.29 1 28 THR -4.93 -2.17 1 29 THR 6.39 4.60 1 30 LYS 3.61 3.03 1 31 GLU 3.16 2.98 1 32 LEU 2.96 3.28 1 34 THR 6.34 5.26 1 35 VAL 5.70 4.30 1 36 MET 5.36 4.04 1 37 ARG 4.13 3.25 1 38 SER 4.35 3.34 1 39 LEU -0.06 -0.52 1 41 GLN -2.43 -1.29 1 42 ASN -0.68 -0.08 1 44 THR -2.66 -1.24 1 45 GLU 4.37 3.55 1 46 ALA 3.49 2.65 1 47 GLU 2.58 2.52 1 48 LEU 2.76 2.85 1 49 GLN 4.08 2.87 1 50 ASP 4.10 3.42 1 51 MET 3.45 4.12 1 52 ILE 5.13 3.43 1 53 ASN 3.58 2.81 1 54 GLU 1.85 2.37 1 55 VAL -1.11 -1.27 1 56 ASP 0.34 -0.24 1 57 ALA 1.20 1.79 1 58 ASP 0.07 -1.18 1 60 ASN 0.93 -0.30 1 62 THR -4.52 -2.20 1 63 ILE -2.16 -1.11 1 64 ASP -3.17 -1.92 1 65 PHE 2.71 2.37 1 67 GLU 2.93 3.68 1 68 PHE 4.19 2.88 1 69 LEU 6.03 4.86 1 70 THR 3.83 3.59 1 71 MET 2.71 0.74 1 72 MET 3.08 2.19 1 73 ALA 3.13 2.46 1 74 ARG 2.07 1.00 1 75 LYS 1.29 1.66 1 76 MET 2.15 0.00 1 77 LYS 0.01 0.33 1 78 ASP 0.57 0.54 1 79 THR -0.05 0.33 1 80 ASP 0.22 0.62 1 81 SER 2.82 2.54 1 82 GLU 3.68 3.11 1 83 GLU 3.39 2.93 1 84 GLU 5.26 3.72 1 85 ILE 5.22 4.14 1 86 ARG 3.12 2.52 1 87 GLU 3.97 2.87 1 88 ALA 4.91 4.53 1 89 PHE 3.49 2.89 1 90 ARG 4.97 3.50 1 91 VAL 1.43 2.53 1 93 ASP 3.28 2.87 1 94 LYS 0.34 -1.15 1 95 ASP 0.47 -0.28 1 99 TYR -0.53 -0.51 1 100 ILE -5.48 -2.46 1 101 SER 4.60 3.54 1 102 ALA 3.50 2.83 1 103 ALA 3.59 2.94 1 104 GLU 3.73 3.53 1 105 LEU 4.32 4.01 1 106 ARG 3.23 5.15 1 107 HIS 5.70 4.38 1 108 VAL 4.11 2.55 1 109 MET 5.04 4.23 1 110 THR 3.25 2.79 1 111 ASN 0.49 0.28 1 112 LEU -1.60 -1.05 1 114 GLU 0.66 -0.49 1 115 LYS -3.50 -0.92 1 116 LEU -2.60 -1.06 1 117 THR 5.19 3.92 1 118 ASP 4.17 3.42 1 119 GLU 2.27 2.85 1 120 GLU 6.52 4.74 1 121 VAL 4.12 3.58 1 122 ASP 3.09 2.68 1 123 GLU 3.67 4.18 1 124 MET 5.10 2.74 1 125 ILE 4.45 3.78 1 126 ARG 2.11 1.97 1 127 GLU -2.61 -0.41 1 128 ALA 0.57 -0.06 1 129 ASP 2.51 2.35 1 130 ILE 0.85 -0.30 1 131 ASP 0.31 -0.48 1 133 ASP -5.38 -2.44 1 135 GLN -1.22 -0.40 1 136 VAL -1.27 -1.89 1 137 ASN 5.92 4.99 1 138 TYR 4.76 3.92 1 139 GLU 2.06 1.94 1 140 GLU 3.59 3.88 1 141 PHE 6.26 4.87 1 142 VAL 4.45 3.18 1 143 GLN 2.71 3.14 1 144 MET 0.75 0.07 1 145 MET 0.14 0.69 1 146 THR 0.39 0.43 1 147 ALA 0.66 1.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 3.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.39 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -1.27 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 PHE 0.91 -2.75 0 97 ASN -6.17 4.44 0 10 ALA 4.29 -1.15 1 11 GLU 3.46 -0.67 1 12 PHE 3.27 -1.88 1 13 LYS 5.09 -1.14 1 14 GLU 3.72 -0.71 1 15 ALA 3.58 -0.71 1 16 PHE 4.16 0.13 1 17 SER 3.60 -0.38 1 18 LEU 3.25 -1.02 1 19 PHE -0.07 1.55 1 20 ASP 0.18 -1.91 1 21 LYS 2.75 -0.50 1 22 ASP 0.23 -1.53 1 24 ASP 0.26 -0.61 1 26 THR -4.79 2.85 1 27 ILE -1.26 0.97 1 28 THR -4.93 2.76 1 29 THR 6.39 -1.79 1 30 LYS 3.61 -0.58 1 31 GLU 3.16 -0.18 1 32 LEU 2.96 0.32 1 34 THR 6.34 -1.08 1 35 VAL 5.70 -1.40 1 36 MET 5.36 -1.32 1 37 ARG 4.13 -0.88 1 38 SER 4.35 -1.01 1 39 LEU -0.06 -0.46 1 41 GLN -2.43 1.14 1 42 ASN -0.68 0.60 1 44 THR -2.66 1.42 1 45 GLU 4.37 -0.82 1 46 ALA 3.49 -0.84 1 47 GLU 2.58 -0.06 1 48 LEU 2.76 0.09 1 49 GLN 4.08 -1.21 1 50 ASP 4.10 -0.68 1 51 MET 3.45 0.67 1 52 ILE 5.13 -1.70 1 53 ASN 3.58 -0.77 1 54 GLU 1.85 0.52 1 55 VAL -1.11 -0.16 1 56 ASP 0.34 -0.58 1 57 ALA 1.20 0.59 1 58 ASP 0.07 -1.25 1 60 ASN 0.93 -1.23 1 62 THR -4.52 2.32 1 63 ILE -2.16 1.05 1 64 ASP -3.17 1.25 1 65 PHE 2.71 -0.34 1 67 GLU 2.93 0.75 1 68 PHE 4.19 -1.31 1 69 LEU 6.03 -1.17 1 70 THR 3.83 -0.24 1 71 MET 2.71 -1.97 1 72 MET 3.08 -0.89 1 73 ALA 3.13 -0.67 1 74 ARG 2.07 -1.07 1 75 LYS 1.29 0.37 1 76 MET 2.15 -2.15 1 77 LYS 0.01 0.32 1 78 ASP 0.57 -0.03 1 79 THR -0.05 0.38 1 80 ASP 0.22 0.40 1 81 SER 2.82 -0.28 1 82 GLU 3.68 -0.57 1 83 GLU 3.39 -0.46 1 84 GLU 5.26 -1.54 1 85 ILE 5.22 -1.08 1 86 ARG 3.12 -0.60 1 87 GLU 3.97 -1.10 1 88 ALA 4.91 -0.38 1 89 PHE 3.49 -0.60 1 90 ARG 4.97 -1.47 1 91 VAL 1.43 1.10 1 93 ASP 3.28 -0.41 1 94 LYS 0.34 -1.49 1 95 ASP 0.47 -0.75 1 99 TYR -0.53 0.02 1 100 ILE -5.48 3.02 1 101 SER 4.60 -1.06 1 102 ALA 3.50 -0.67 1 103 ALA 3.59 -0.65 1 104 GLU 3.73 -0.20 1 105 LEU 4.32 -0.31 1 106 ARG 3.23 1.92 1 107 HIS 5.70 -1.32 1 108 VAL 4.11 -1.56 1 109 MET 5.04 -0.81 1 110 THR 3.25 -0.46 1 111 ASN 0.49 -0.21 1 112 LEU -1.60 0.55 1 114 GLU 0.66 -1.15 1 115 LYS -3.50 2.58 1 116 LEU -2.60 1.54 1 117 THR 5.19 -1.27 1 118 ASP 4.17 -0.75 1 119 GLU 2.27 0.58 1 120 GLU 6.52 -1.78 1 121 VAL 4.12 -0.54 1 122 ASP 3.09 -0.41 1 123 GLU 3.67 0.51 1 124 MET 5.10 -2.36 1 125 ILE 4.45 -0.67 1 126 ARG 2.11 -0.14 1 127 GLU -2.61 2.20 1 128 ALA 0.57 -0.63 1 129 ASP 2.51 -0.16 1 130 ILE 0.85 -1.15 1 131 ASP 0.31 -0.79 1 133 ASP -5.38 2.94 1 135 GLN -1.22 0.82 1 136 VAL -1.27 -0.62 1 137 ASN 5.92 -0.93 1 138 TYR 4.76 -0.84 1 139 GLU 2.06 -0.12 1 140 GLU 3.59 0.29 1 141 PHE 6.26 -1.39 1 142 VAL 4.45 -1.27 1 143 GLN 2.71 0.43 1 144 MET 0.75 -0.68 1 145 MET 0.14 0.55 1 146 THR 0.39 0.04 1 147 ALA 0.66 0.64 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 0.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.01 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 VAL -1.22 0.93 0 16 PHE 4.16 -1.50 0 89 PHE 4.91 -1.65 0 10 ALA 4.29 -0.36 1 11 GLU 3.46 -0.35 1 12 PHE 3.27 0.25 1 13 LYS 5.09 -0.46 1 14 GLU 3.72 -0.36 1 15 ALA 3.58 -0.18 1 17 SER 3.60 -0.53 1 18 LEU 3.25 -0.52 1 19 PHE -0.07 -0.57 1 20 ASP 0.18 -0.23 1 21 LYS 2.75 -0.50 1 22 ASP 0.23 -0.20 1 24 ASP 0.26 -0.28 1 26 THR -4.79 0.85 1 27 ILE -1.26 0.56 1 28 THR -4.93 0.36 1 29 THR 6.39 -0.70 1 30 LYS 3.61 -0.34 1 31 GLU 3.16 -0.47 1 32 LEU 2.96 -0.36 1 34 THR 6.34 -0.56 1 35 VAL 5.70 -0.69 1 36 MET 5.36 -0.58 1 37 ARG 4.13 0.30 1 38 SER 4.35 -0.24 1 39 LEU -0.06 -0.07 1 41 GLN -2.43 -0.03 1 44 THR -2.66 -0.05 1 45 GLU 4.37 -0.50 1 46 ALA 3.49 -0.37 1 47 GLU 2.58 -0.48 1 48 LEU 2.76 -0.42 1 49 GLN 4.08 -0.67 1 50 ASP 4.10 -0.37 1 51 MET 3.45 -0.60 1 52 ILE 5.13 -0.79 1 53 ASN 3.58 -0.50 1 54 GLU 1.85 -0.47 1 55 VAL -1.11 0.10 1 56 ASP 0.34 -0.21 1 57 ALA 1.20 -0.24 1 58 ASP 0.07 -0.20 1 60 ASN 0.93 -0.25 1 62 THR -4.52 0.28 1 63 ILE -2.16 0.81 1 64 ASP -3.17 0.63 1 67 GLU 2.71 -0.42 1 69 LEU 4.19 -1.09 1 70 THR 6.03 -0.72 1 71 MET 3.83 -0.79 1 72 MET 2.71 -0.69 1 73 ALA 3.08 -0.40 1 74 ARG 3.13 -0.41 1 75 LYS 2.07 -0.25 1 76 MET 1.29 -0.29 1 78 ASP 0.01 -0.09 1 79 THR 0.57 -0.20 1 80 ASP -0.05 -0.07 1 81 SER 0.22 -0.11 1 82 GLU 2.82 -0.39 1 83 GLU 3.68 -0.48 1 84 GLU 3.39 -0.35 1 85 ILE 5.26 -0.35 1 86 ARG 5.22 -0.33 1 87 GLU 3.12 -0.35 1 88 ALA 3.97 -0.33 1 90 ARG 3.49 -0.61 1 91 VAL 4.97 -0.76 1 92 PHE 1.43 -0.57 1 93 ASP 0.91 -0.23 1 94 LYS 3.28 -0.54 1 95 ASP 0.34 -0.23 1 97 ASN 0.47 -0.24 1 99 TYR -6.17 0.35 1 100 ILE -0.53 0.46 1 101 SER -5.48 0.24 1 102 ALA 4.60 -0.54 1 103 ALA 3.50 -0.42 1 104 GLU 3.59 -0.45 1 105 LEU 3.73 -0.33 1 106 ARG 4.32 -0.69 1 107 HIS 3.23 -0.60 1 108 VAL 5.70 -0.80 1 109 MET 4.11 -0.35 1 110 THR 5.04 -0.30 1 111 ASN 3.25 -0.43 1 112 LEU 0.49 -0.20 1 114 GLU -1.60 -0.08 1 115 LYS 0.66 -0.10 1 116 LEU -3.50 0.29 1 117 THR -2.60 -0.02 1 118 ASP 5.19 -0.57 1 119 GLU 4.17 -0.41 1 120 GLU 2.27 -0.50 1 121 VAL 6.52 -0.65 1 122 ASP 4.12 -0.45 1 123 GLU 3.09 -0.49 1 124 MET 3.67 -0.60 1 125 ILE 5.10 -0.82 1 126 ARG 4.45 -0.48 1 128 ALA -2.61 -0.04 1 129 ASP 0.57 -0.28 1 130 ILE 2.51 -0.40 1 131 ASP 0.85 -0.21 1 133 ASP 0.31 -0.32 1 135 GLN -5.38 0.37 1 137 ASN -1.27 0.34 1 138 TYR 5.92 -1.25 1 139 GLU 4.76 -0.85 1 140 GLU 2.06 -0.47 1 141 PHE 3.59 -0.77 1 142 VAL 6.26 -1.16 1 143 GLN 4.45 -0.60 1 144 MET 2.71 -0.54 1 145 MET 0.75 -0.33 1 146 THR 0.14 -0.21 1 147 ALA 0.39 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 -1.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 2.76 _LACS_plot.Y_axis_chem_shift_offset -0.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 THR -4.93 2.02 0 10 ALA 4.29 3.25 1 11 GLU 3.46 3.86 1 12 PHE 3.27 2.93 1 13 LYS 5.09 2.70 1 14 GLU 3.72 2.97 1 15 ALA 3.58 1.06 1 16 PHE 4.16 1.77 1 17 SER 3.60 0.10 1 18 LEU 3.25 0.09 1 19 PHE -0.07 0.82 1 20 ASP 0.18 0.87 1 21 LYS 2.75 1.62 1 22 ASP 0.23 1.42 1 24 ASP 0.26 1.16 1 26 THR -4.79 -1.59 1 27 ILE -1.26 -0.32 1 29 THR 6.39 2.64 1 30 LYS 3.61 3.33 1 31 GLU 3.16 2.62 1 32 LEU 2.96 1.42 1 34 THR 6.34 2.39 1 35 VAL 5.70 2.71 1 37 ARG 4.13 5.08 1 38 SER 4.35 0.34 1 39 LEU -0.06 -0.37 1 41 GLN -2.43 -1.81 1 44 THR -2.66 0.51 1 45 GLU 4.37 2.34 1 46 ALA 3.49 2.36 1 47 GLU 2.58 3.41 1 48 LEU 2.76 1.00 1 49 GLN 4.08 2.48 1 50 ASP 4.10 2.44 1 51 MET 3.45 2.49 1 52 ILE 5.13 1.57 1 53 ASN 3.58 2.00 1 54 GLU 1.85 0.80 1 55 VAL -1.11 -0.63 1 56 ASP 0.34 -0.24 1 57 ALA 1.20 0.91 1 58 ASP 0.07 1.58 1 60 ASN 0.93 1.66 1 62 THR -4.52 -1.36 1 64 ASP -3.17 -0.37 1 67 GLU 2.71 2.46 1 69 LEU 4.19 1.47 1 70 THR 6.03 1.47 1 71 MET 3.83 1.64 1 72 MET 2.71 2.04 1 74 ARG 3.13 -0.06 1 75 LYS 2.07 1.37 1 78 ASP 0.01 0.20 1 79 THR 0.57 -0.28 1 80 ASP -0.05 0.10 1 81 SER 0.22 0.69 1 82 GLU 2.82 1.38 1 83 GLU 3.68 2.18 1 84 GLU 3.39 2.66 1 85 ILE 5.26 1.76 1 86 ARG 5.22 3.00 1 87 GLU 3.12 2.16 1 88 ALA 3.97 1.25 1 89 PHE 4.91 0.82 1 90 ARG 3.49 1.70 1 91 VAL 4.97 0.75 1 92 PHE 1.43 1.17 1 93 ASP 0.91 1.17 1 94 LYS 3.28 1.67 1 95 ASP 0.34 1.42 1 97 ASN 0.47 0.89 1 99 TYR -6.17 -1.33 1 100 ILE -0.53 -0.88 1 101 SER -5.48 0.71 1 102 ALA 4.60 1.53 1 103 ALA 3.50 3.60 1 104 GLU 3.59 2.61 1 105 LEU 3.73 0.97 1 106 ARG 4.32 2.42 1 107 HIS 3.23 3.57 1 108 VAL 5.70 1.56 1 109 MET 4.11 2.59 1 110 THR 5.04 3.11 1 111 ASN 3.25 0.91 1 112 LEU 0.49 -0.81 1 114 GLU -1.60 -1.01 1 115 LYS 0.66 -1.04 1 116 LEU -3.50 0.34 1 117 THR -2.60 0.81 1 118 ASP 5.19 2.29 1 119 GLU 4.17 2.59 1 120 GLU 2.27 3.32 1 121 VAL 6.52 0.97 1 122 ASP 4.12 2.92 1 123 GLU 3.09 1.41 1 124 MET 3.67 2.95 1 125 ILE 5.10 0.76 1 126 ARG 4.45 3.01 1 127 GLU 2.11 0.63 1 128 ALA -2.61 -0.08 1 129 ASP 0.57 -0.21 1 130 ILE 2.51 1.49 1 131 ASP 0.85 2.00 1 133 ASP 0.31 1.35 1 135 GLN -5.38 -1.29 1 136 VAL -1.22 -0.44 1 137 ASN -1.27 -0.27 1 138 TYR 5.92 0.17 1 139 GLU 4.76 4.00 1 140 GLU 2.06 2.76 1 141 PHE 3.59 0.98 1 142 VAL 6.26 3.25 1 143 GLN 4.45 1.86 1 144 MET 2.71 1.53 1 145 MET 0.75 1.03 1 146 THR 0.14 -0.49 1 147 ALA 0.39 -1.19 1 stop_ save_