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 bmr4198_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.33 _LACS_plot.Line_1_terminator_val_y_1 -1.25 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 5.59 _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 146 MET 4.50 0.17 0 135 HIS 5.07 7.37 0 42 ASP 0.04 0.00 1 43 ARG 1.63 0.74 1 44 PHE 3.02 2.20 1 45 MET 2.30 0.43 1 46 ASP 3.35 2.70 1 47 GLU 2.93 2.28 1 48 PHE 4.56 3.60 1 49 PHE 5.97 4.25 1 50 GLU 3.70 2.89 1 51 GLN 4.42 3.54 1 52 VAL 5.87 4.30 1 53 GLU 2.86 2.12 1 54 GLU 2.70 2.32 1 55 ILE 6.10 4.86 1 56 ARG 5.46 4.14 1 58 PHE 1.70 0.74 1 59 ILE 6.78 5.67 1 60 ASP 4.53 3.15 1 61 LYS 3.73 2.40 1 62 ILE 6.54 5.48 1 63 ALA 4.46 3.31 1 64 GLU 2.90 2.49 1 65 ASN 2.97 2.32 1 66 VAL 6.87 5.11 1 67 GLU 3.31 2.50 1 68 GLU 2.94 2.22 1 69 VAL 6.79 4.75 1 70 LYS 4.74 4.14 1 71 ARG 4.09 3.66 1 72 LYS 3.33 2.70 1 73 HIS 2.20 3.40 1 74 SER 4.86 3.56 1 75 ALA 3.08 2.28 1 76 ILE 4.16 3.73 1 77 LEU 2.26 1.52 1 78 ALA -0.27 0.00 1 79 SER -2.33 -1.28 1 81 ASN -1.03 -0.56 1 83 ASP -1.58 -0.82 1 84 GLU 3.07 2.55 1 85 LYS 3.86 2.48 1 86 THR 6.60 4.50 1 87 LYS 5.21 4.01 1 88 GLU 3.25 2.49 1 89 GLU 2.28 2.10 1 90 LEU 0.40 3.20 1 91 GLU 3.70 2.70 1 92 GLU 3.30 2.52 1 93 LEU 2.18 2.71 1 94 MET 4.40 4.13 1 95 SER 4.29 3.19 1 96 ASP 3.20 3.33 1 97 ILE 5.87 5.30 1 98 LYS 4.77 3.66 1 99 LYS 4.05 3.32 1 100 THR 7.40 5.30 1 101 ALA 4.31 3.20 1 102 ASN 4.06 2.92 1 103 LYS 4.24 3.04 1 104 VAL 6.97 5.25 1 105 ARG 4.65 4.10 1 106 SER 4.29 2.90 1 107 LYS 3.62 3.01 1 108 LEU 4.18 2.99 1 109 LYS 3.75 2.05 1 110 SER 5.66 3.70 1 111 ILE 4.49 3.89 1 112 GLU 3.40 3.02 1 113 GLN 4.06 3.00 1 114 SER 4.26 3.03 1 115 ILE 4.71 4.01 1 116 GLU 2.63 2.13 1 117 GLN 3.08 2.19 1 118 GLU 1.91 1.84 1 119 GLU 2.38 2.09 1 121 LEU -0.03 -0.04 1 122 ASN 1.52 0.41 1 123 ARG 0.33 0.19 1 124 SER -0.16 -0.67 1 125 SER -0.06 -0.03 1 126 ALA 3.06 2.40 1 127 ASP 2.69 2.15 1 128 LEU 3.48 2.66 1 129 ARG 4.80 3.50 1 130 ILE 4.40 3.40 1 131 ARG 4.50 3.80 1 132 LYS 4.41 3.99 1 133 THR 5.92 4.77 1 134 GLN 4.56 3.21 1 136 SER 5.11 3.21 1 137 THR 5.68 4.64 1 138 LEU 2.05 2.56 1 139 SER 5.45 4.15 1 140 ARG 4.70 3.30 1 141 LYS 3.39 2.25 1 142 PHE 2.77 2.03 1 143 VAL 5.78 4.28 1 144 GLU 3.63 3.18 1 145 VAL 4.47 3.45 1 147 SER 5.86 3.94 1 148 GLU 3.32 2.39 1 149 TYR 3.66 2.36 1 150 ASN 3.92 2.90 1 151 ALA 3.58 2.36 1 152 THR 4.35 3.44 1 153 GLN 2.54 2.28 1 154 SER 3.62 2.49 1 155 ASP 1.77 2.05 1 156 TYR 2.71 1.97 1 157 ARG 2.27 1.72 1 158 GLU 1.08 0.86 1 159 ARG 0.31 0.56 1 160 SER 0.25 0.05 1 161 LYS 1.20 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4198_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.33 _LACS_plot.Line_1_terminator_val_y_1 1.08 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 -1.80 _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 146 MET 4.50 -4.33 0 135 HIS 5.07 2.30 0 42 ASP 0.04 -0.04 1 43 ARG 1.63 -0.89 1 44 PHE 3.02 -0.82 1 45 MET 2.30 -1.87 1 46 ASP 3.35 -0.65 1 47 GLU 2.93 -0.65 1 48 PHE 4.56 -0.96 1 49 PHE 5.97 -1.72 1 50 GLU 3.70 -0.81 1 51 GLN 4.42 -0.88 1 52 VAL 5.87 -1.57 1 53 GLU 2.86 -0.74 1 54 GLU 2.70 -0.38 1 55 ILE 6.10 -1.24 1 56 ARG 5.46 -1.32 1 58 PHE 1.70 -0.96 1 59 ILE 6.78 -1.11 1 60 ASP 4.53 -1.38 1 61 LYS 3.73 -1.33 1 62 ILE 6.54 -1.06 1 63 ALA 4.46 -1.15 1 64 GLU 2.90 -0.41 1 65 ASN 2.97 -0.65 1 66 VAL 6.87 -1.76 1 67 GLU 3.31 -0.81 1 68 GLU 2.94 -0.72 1 69 VAL 6.79 -2.04 1 70 LYS 4.74 -0.60 1 71 ARG 4.09 -0.43 1 72 LYS 3.33 -0.63 1 73 HIS 2.20 1.20 1 74 SER 4.86 -1.30 1 75 ALA 3.08 -0.80 1 76 ILE 4.16 -0.43 1 77 LEU 2.26 -0.74 1 78 ALA -0.27 0.27 1 79 SER -2.33 1.05 1 81 ASN -1.03 0.47 1 83 ASP -1.58 0.76 1 84 GLU 3.07 -0.52 1 85 LYS 3.86 -1.38 1 86 THR 6.60 -2.10 1 87 LYS 5.21 -1.20 1 88 GLU 3.25 -0.76 1 89 GLU 2.28 -0.18 1 90 LEU 0.40 2.80 1 91 GLU 3.70 -1.00 1 92 GLU 3.30 -0.78 1 93 LEU 2.18 0.53 1 94 MET 4.40 -0.27 1 95 SER 4.29 -1.10 1 96 ASP 3.20 0.13 1 97 ILE 5.87 -0.57 1 98 LYS 4.77 -1.11 1 99 LYS 4.05 -0.73 1 100 THR 7.40 -2.10 1 101 ALA 4.31 -1.11 1 102 ASN 4.06 -1.14 1 103 LYS 4.24 -1.20 1 104 VAL 6.97 -1.72 1 105 ARG 4.65 -0.55 1 106 SER 4.29 -1.39 1 107 LYS 3.62 -0.61 1 108 LEU 4.18 -1.19 1 109 LYS 3.75 -1.70 1 110 SER 5.66 -1.96 1 111 ILE 4.49 -0.60 1 112 GLU 3.40 -0.38 1 113 GLN 4.06 -1.06 1 114 SER 4.26 -1.23 1 115 ILE 4.71 -0.70 1 116 GLU 2.63 -0.50 1 117 GLN 3.08 -0.89 1 118 GLU 1.91 -0.07 1 119 GLU 2.38 -0.29 1 121 LEU -0.03 -0.01 1 122 ASN 1.52 -1.11 1 123 ARG 0.33 -0.14 1 124 SER -0.16 -0.51 1 125 SER -0.06 0.03 1 126 ALA 3.06 -0.66 1 127 ASP 2.69 -0.54 1 128 LEU 3.48 -0.82 1 129 ARG 4.80 -1.30 1 130 ILE 4.40 -1.00 1 131 ARG 4.50 -0.70 1 132 LYS 4.41 -0.42 1 133 THR 5.92 -1.15 1 134 GLN 4.56 -1.35 1 136 SER 5.11 -1.90 1 137 THR 5.68 -1.04 1 138 LEU 2.05 0.51 1 139 SER 5.45 -1.30 1 140 ARG 4.70 -1.40 1 141 LYS 3.39 -1.14 1 142 PHE 2.77 -0.74 1 143 VAL 5.78 -1.50 1 144 GLU 3.63 -0.45 1 145 VAL 4.47 -1.02 1 147 SER 5.86 -1.92 1 148 GLU 3.32 -0.93 1 149 TYR 3.66 -1.30 1 150 ASN 3.92 -1.02 1 151 ALA 3.58 -1.22 1 152 THR 4.35 -0.91 1 153 GLN 2.54 -0.26 1 154 SER 3.62 -1.13 1 155 ASP 1.77 0.28 1 156 TYR 2.71 -0.74 1 157 ARG 2.27 -0.55 1 158 GLU 1.08 -0.22 1 159 ARG 0.31 0.25 1 160 SER 0.25 -0.20 1 161 LYS 1.20 0.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4198_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.33 _LACS_plot.Line_1_terminator_val_y_1 0.05 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.09 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 GLU 3.40 -0.99 0 42 ASP 0.04 -0.07 1 43 ARG 1.63 -0.05 1 44 PHE 3.02 -0.20 1 45 MET 2.30 -0.01 1 46 ASP 3.35 -0.09 1 47 GLU 2.93 -0.25 1 48 PHE 4.56 -0.47 1 49 PHE 5.97 -0.56 1 50 GLU 3.70 -0.30 1 51 GLN 4.42 -0.28 1 52 VAL 5.87 -0.89 1 53 GLU 2.86 -0.39 1 54 GLU 2.70 -0.63 1 55 ILE 6.10 -0.69 1 56 ARG 5.46 -0.67 1 58 PHE 1.70 -0.02 1 59 ILE 6.78 -0.55 1 60 ASP 4.53 -0.16 1 61 LYS 3.73 -0.13 1 62 ILE 6.54 -0.65 1 63 ALA 4.46 -0.40 1 64 GLU 2.90 -0.26 1 65 ASN 2.97 -0.15 1 66 VAL 6.87 -0.66 1 67 GLU 3.31 -0.30 1 68 GLU 2.94 -0.17 1 69 VAL 6.79 -0.87 1 70 LYS 4.74 -0.39 1 71 ARG 4.09 -0.26 1 72 LYS 3.33 -0.22 1 73 HIS 2.20 -0.53 1 74 SER 4.86 -0.42 1 75 ALA 3.08 -0.13 1 76 ILE 4.16 -0.38 1 77 LEU 2.26 -0.20 1 78 ALA -0.27 -0.02 1 79 SER -2.33 0.09 1 81 ASN -1.03 0.08 1 83 ASP -1.58 -0.01 1 84 GLU 3.07 -0.39 1 85 LYS 3.86 -0.19 1 86 THR 6.60 -0.35 1 87 LYS 5.21 -0.41 1 88 GLU 3.25 -0.27 1 89 GLU 2.28 -0.33 1 90 LEU 0.40 -0.31 1 91 GLU 3.70 -0.33 1 92 GLU 3.30 -0.25 1 93 LEU 2.18 -0.26 1 94 MET 4.40 -0.49 1 95 SER 4.29 -0.26 1 96 ASP 3.20 -0.24 1 97 ILE 5.87 -0.66 1 98 LYS 4.77 -0.46 1 99 LYS 4.05 -0.26 1 100 THR 7.40 -0.82 1 101 ALA 4.31 -0.28 1 102 ASN 4.06 -0.25 1 103 LYS 4.24 -0.28 1 104 VAL 6.97 -0.98 1 105 ARG 4.65 -0.65 1 106 SER 4.29 -0.26 1 107 LYS 3.62 -0.13 1 108 LEU 4.18 -0.24 1 109 LYS 3.75 -0.10 1 110 SER 5.66 -0.17 1 111 ILE 4.49 -0.26 1 113 GLN 4.06 -0.26 1 114 SER 4.26 -0.20 1 115 ILE 4.71 -0.63 1 116 GLU 2.63 -0.30 1 117 GLN 3.08 -0.26 1 118 GLU 1.91 -0.30 1 119 GLU 2.38 -0.38 1 121 LEU -0.03 0.00 1 122 ASN 1.52 -0.18 1 123 ARG 0.33 -0.01 1 124 SER -0.16 0.00 1 125 SER -0.06 -0.07 1 126 ALA 3.06 -0.21 1 127 ASP 2.69 -0.23 1 128 LEU 3.48 -0.48 1 129 ARG 4.80 -0.38 1 130 ILE 4.40 -0.31 1 131 ARG 4.50 -0.51 1 132 LYS 4.41 -0.30 1 133 THR 5.92 -0.27 1 134 GLN 4.56 -0.14 1 135 HIS 5.07 -0.81 1 136 SER 5.11 -0.33 1 137 THR 5.68 -0.39 1 138 LEU 2.05 -0.39 1 139 SER 5.45 -0.44 1 140 ARG 4.70 -0.29 1 141 LYS 3.39 -0.13 1 142 PHE 2.77 -0.22 1 143 VAL 5.78 -0.80 1 144 GLU 3.63 -0.33 1 145 VAL 4.47 -0.09 1 146 MET 4.50 0.18 1 147 SER 5.86 -0.15 1 148 GLU 3.32 -0.12 1 149 TYR 3.66 -0.30 1 150 ASN 3.92 -0.61 1 151 ALA 3.58 -0.17 1 152 THR 4.35 -0.15 1 153 GLN 2.54 -0.31 1 154 SER 3.62 -0.33 1 155 ASP 1.77 -0.24 1 156 TYR 2.71 -0.44 1 157 ARG 2.27 -0.49 1 158 GLU 1.08 -0.27 1 159 ARG 0.31 -0.08 1 160 SER 0.25 -0.19 1 161 LYS 1.20 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4198_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.33 _LACS_plot.Line_1_terminator_val_y_1 -0.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.33 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 2.97 _LACS_plot.Y_axis_chem_shift_offset -0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 161 LYS 1.20 4.50 0 81 ASN -1.03 -2.00 0 42 ASP 0.04 0.02 1 43 ARG 1.63 0.57 1 44 PHE 3.02 1.86 1 45 MET 2.30 1.01 1 46 ASP 3.35 2.43 1 47 GLU 2.93 1.91 1 48 PHE 4.56 1.29 1 49 PHE 5.97 2.89 1 50 GLU 3.70 2.75 1 51 GLN 4.42 2.91 1 52 VAL 5.87 1.00 1 53 GLU 2.86 2.86 1 54 GLU 2.70 2.23 1 55 ILE 6.10 1.04 1 56 ARG 5.46 2.24 1 58 PHE 1.70 2.40 1 59 ILE 6.78 0.96 1 60 ASP 4.53 2.75 1 61 LYS 3.73 2.37 1 62 ILE 6.54 1.29 1 63 ALA 4.46 2.85 1 64 GLU 2.90 2.90 1 65 ASN 2.97 2.54 1 66 VAL 6.87 1.31 1 67 GLU 3.31 2.75 1 68 GLU 2.94 2.11 1 69 VAL 6.79 0.99 1 70 LYS 4.74 3.46 1 71 ARG 4.09 3.65 1 72 LYS 3.33 2.03 1 73 HIS 2.20 3.38 1 74 SER 4.86 1.94 1 75 ALA 3.08 2.89 1 76 ILE 4.16 2.01 1 77 LEU 2.26 0.63 1 78 ALA -0.27 -0.36 1 79 SER -2.33 0.20 1 83 ASP -1.58 0.10 1 84 GLU 3.07 2.04 1 85 LYS 3.86 1.93 1 86 THR 6.60 1.93 1 87 LYS 5.21 2.12 1 88 GLU 3.25 2.84 1 89 GLU 2.28 3.39 1 90 LEU 0.40 0.20 1 91 GLU 3.70 3.10 1 92 GLU 3.30 2.49 1 93 LEU 2.18 1.68 1 94 MET 4.40 2.84 1 95 SER 4.29 2.01 1 96 ASP 3.20 3.67 1 97 ILE 5.87 0.36 1 98 LYS 4.77 2.56 1 99 LYS 4.05 3.50 1 100 THR 7.40 1.19 1 101 ALA 4.31 1.42 1 102 ASN 4.06 2.86 1 103 LYS 4.24 1.98 1 104 VAL 6.97 0.66 1 105 ARG 4.65 3.11 1 106 SER 4.29 2.63 1 107 LYS 3.62 3.30 1 108 LEU 4.18 1.66 1 109 LYS 3.75 1.88 1 110 SER 5.66 3.31 1 111 ILE 4.49 1.55 1 112 GLU 3.40 1.80 1 113 GLN 4.06 2.43 1 114 SER 4.26 2.13 1 115 ILE 4.71 0.70 1 116 GLU 2.63 2.80 1 117 GLN 3.08 2.00 1 118 GLU 1.91 2.00 1 119 GLU 2.38 2.16 1 121 LEU -0.03 -0.49 1 122 ASN 1.52 -0.47 1 123 ARG 0.33 -0.23 1 124 SER -0.16 -0.19 1 125 SER -0.06 1.04 1 126 ALA 3.06 1.71 1 127 ASP 2.69 1.64 1 128 LEU 3.48 0.70 1 129 ARG 4.80 3.16 1 130 ILE 4.40 1.84 1 131 ARG 4.50 2.17 1 132 LYS 4.41 3.08 1 133 THR 5.92 2.65 1 134 GLN 4.56 2.21 1 135 HIS 5.07 3.89 1 136 SER 5.11 2.51 1 137 THR 5.68 2.07 1 138 LEU 2.05 0.67 1 139 SER 5.45 1.27 1 140 ARG 4.70 2.24 1 141 LYS 3.39 1.74 1 142 PHE 2.77 0.66 1 143 VAL 5.78 3.10 1 144 GLU 3.63 3.21 1 145 VAL 4.47 2.05 1 146 MET 4.50 3.64 1 147 SER 5.86 2.74 1 148 GLU 3.32 2.93 1 149 TYR 3.66 1.56 1 150 ASN 3.92 2.53 1 151 ALA 3.58 1.96 1 152 THR 4.35 1.30 1 153 GLN 2.54 1.60 1 154 SER 3.62 1.00 1 155 ASP 1.77 0.68 1 156 TYR 2.71 1.29 1 157 ARG 2.27 1.28 1 158 GLU 1.08 0.87 1 159 ARG 0.31 0.13 1 160 SER 0.25 -1.31 1 stop_ save_