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 bmr27398_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.72 _LACS_plot.Line_1_terminator_val_y_1 -3.70 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.79 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 6.15 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 HIS 1.13 4.65 0 126 ALA -7.72 -1.80 0 120 TYR 3.97 -1.34 0 16 ASN 0.49 0.21 1 17 ASP 0.43 0.25 1 18 SER 1.41 0.83 1 19 ALA 2.24 2.57 1 26 LYS 0.20 -0.13 1 27 ALA -0.03 -0.23 1 28 ARG 0.04 -0.15 1 47 LYS 0.66 -0.40 1 49 GLU -0.87 -1.51 1 50 ARG 2.21 0.83 1 51 ILE 1.83 0.90 1 74 MET -3.07 -3.78 1 75 LEU -1.87 -1.98 1 79 GLU 3.26 2.38 1 80 THR 5.73 4.28 1 81 ALA 4.48 2.05 1 82 ILE 1.72 0.15 1 83 ALA 4.52 2.76 1 84 HIS 3.92 5.66 1 85 ALA 2.26 3.25 1 86 LYS 5.44 3.88 1 87 LYS 1.98 2.10 1 88 THR -0.45 1.04 1 89 SER 6.43 2.66 1 90 ILE -3.79 -1.91 1 91 TRP -7.61 -2.99 1 92 ALA -1.76 -1.96 1 93 VAL -2.30 -1.90 1 94 LYS 0.87 0.64 1 95 LYS 4.96 3.68 1 96 ASP 3.54 2.36 1 97 SER -1.14 -0.50 1 99 LYS 5.34 3.36 1 100 ARG 4.42 3.17 1 101 ILE 5.64 4.30 1 102 SER 3.84 3.22 1 103 ASP 3.48 3.11 1 104 ALA 4.49 3.24 1 105 TYR 3.08 2.52 1 106 LYS 2.39 1.89 1 107 LYS -2.27 -0.07 1 108 ALA -3.86 -1.54 1 109 SER 1.27 1.03 1 110 VAL -2.32 -1.21 1 114 PHE -1.55 -0.65 1 116 ALA -0.42 -0.54 1 117 GLN 8.19 7.50 1 121 ASN 3.05 1.30 1 122 ALA -0.19 -0.47 1 125 TYR -2.95 -0.44 1 127 GLN -5.85 -1.87 1 128 VAL 3.59 1.90 1 129 VAL -0.34 -1.70 1 130 SER -2.65 -0.17 1 131 ASP -3.00 -2.72 1 132 LEU 1.33 0.73 1 133 ASN -1.49 -0.74 1 134 SER 6.85 2.16 1 135 THR 1.09 0.53 1 136 GLU -0.85 -1.50 1 137 LEU -2.20 -3.20 1 143 SER 3.38 2.46 1 144 SER 1.95 1.61 1 146 ALA -2.91 -0.66 1 149 VAL -4.40 -3.15 1 150 ARG -0.19 -0.88 1 151 ILE -4.79 -2.86 1 152 LYS -3.78 -2.64 1 153 TRP 2.98 2.18 1 154 ILE 2.84 1.34 1 155 LYS -5.77 -2.82 1 156 THR -3.33 -2.28 1 158 ASN 3.02 0.69 1 159 LEU -3.29 -1.55 1 160 PHE -0.58 0.10 1 161 SER -3.26 -2.91 1 165 SER 4.24 3.23 1 166 GLU 3.82 3.03 1 167 ILE 7.29 4.79 1 168 VAL 6.53 4.86 1 169 SER 3.47 2.97 1 170 HIS -0.99 -0.26 1 171 MET 0.72 3.20 1 172 ASP -1.53 -2.88 1 173 HIS 4.07 1.73 1 175 SER -1.61 -1.18 1 176 GLU 1.25 0.90 1 177 ALA -1.73 0.51 1 178 ARG -3.13 -2.30 1 179 ASP 1.98 2.67 1 181 MET 0.65 0.57 1 182 GLU -0.22 -1.31 1 183 MET -3.17 -2.33 1 184 MET 0.76 1.42 1 186 ASP 7.22 6.59 1 187 GLU 2.95 2.70 1 190 ARG 2.64 1.46 1 191 LEU 4.57 3.61 1 193 THR 6.64 5.26 1 194 LEU 3.39 2.78 1 196 ASN 5.39 3.23 1 197 TYR 3.33 2.48 1 198 ALA 3.38 2.27 1 199 ILE 4.18 3.74 1 200 MET 3.28 2.39 1 201 LYS 2.50 1.04 1 202 ARG 2.11 0.76 1 203 ILE 1.83 0.90 1 205 ARG 0.30 -0.08 1 206 ASP 0.67 0.33 1 207 ARG 1.13 1.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27398_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.72 _LACS_plot.Line_1_terminator_val_y_1 4.02 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 HIS 1.13 3.52 0 126 ALA -7.72 5.92 0 120 TYR 3.97 -5.31 0 16 ASN 0.49 -0.28 1 17 ASP 0.43 -0.18 1 18 SER 1.41 -0.58 1 19 ALA 2.24 0.33 1 26 LYS 0.20 -0.33 1 27 ALA -0.03 -0.20 1 28 ARG 0.04 -0.19 1 47 LYS 0.66 -1.06 1 49 GLU -0.87 -0.64 1 50 ARG 2.21 -1.38 1 51 ILE 1.83 -0.93 1 74 MET -3.07 -0.71 1 75 LEU -1.87 -0.11 1 79 GLU 3.26 -0.88 1 80 THR 5.73 -1.45 1 81 ALA 4.48 -2.43 1 82 ILE 1.72 -1.57 1 83 ALA 4.52 -1.76 1 84 HIS 3.92 1.74 1 85 ALA 2.26 0.99 1 86 LYS 5.44 -1.56 1 87 LYS 1.98 0.12 1 88 THR -0.45 1.49 1 89 SER 6.43 -3.77 1 90 ILE -3.79 1.88 1 91 TRP -7.61 4.62 1 92 ALA -1.76 -0.20 1 93 VAL -2.30 0.40 1 94 LYS 0.87 -0.23 1 95 LYS 4.96 -1.28 1 96 ASP 3.54 -1.18 1 97 SER -1.14 0.64 1 99 LYS 5.34 -1.98 1 100 ARG 4.42 -1.25 1 101 ILE 5.64 -1.34 1 102 SER 3.84 -0.62 1 103 ASP 3.48 -0.37 1 104 ALA 4.49 -1.25 1 105 TYR 3.08 -0.56 1 106 LYS 2.39 -0.50 1 107 LYS -2.27 2.20 1 108 ALA -3.86 2.32 1 109 SER 1.27 -0.24 1 110 VAL -2.32 1.11 1 114 PHE -1.55 0.90 1 116 ALA -0.42 -0.12 1 117 GLN 8.19 -0.69 1 121 ASN 3.05 -1.75 1 122 ALA -0.19 -0.28 1 125 TYR -2.95 2.51 1 127 GLN -5.85 3.98 1 128 VAL 3.59 -1.69 1 129 VAL -0.34 -1.36 1 130 SER -2.65 2.48 1 131 ASP -3.00 0.28 1 132 LEU 1.33 -0.60 1 133 ASN -1.49 0.75 1 134 SER 6.85 -4.69 1 135 THR 1.09 -0.56 1 136 GLU -0.85 -0.65 1 137 LEU -2.20 -1.00 1 143 SER 3.38 -0.92 1 144 SER 1.95 -0.34 1 146 ALA -2.91 2.25 1 149 VAL -4.40 1.25 1 150 ARG -0.19 -0.69 1 151 ILE -4.79 1.93 1 152 LYS -3.78 1.14 1 153 TRP 2.98 -0.80 1 154 ILE 2.84 -1.50 1 155 LYS -5.77 2.95 1 156 THR -3.33 1.05 1 158 ASN 3.02 -2.33 1 159 LEU -3.29 1.74 1 160 PHE -0.58 0.68 1 161 SER -3.26 0.35 1 165 SER 4.24 -1.01 1 166 GLU 3.82 -0.79 1 167 ILE 7.29 -2.50 1 168 VAL 6.53 -1.67 1 169 SER 3.47 -0.50 1 170 HIS -0.99 0.73 1 171 MET 0.72 2.48 1 172 ASP -1.53 -1.35 1 173 HIS 4.07 -2.34 1 175 SER -1.61 0.43 1 176 GLU 1.25 -0.35 1 177 ALA -1.73 2.24 1 178 ARG -3.13 0.83 1 179 ASP 1.98 0.69 1 181 MET 0.65 -0.08 1 182 GLU -0.22 -1.09 1 183 MET -3.17 0.84 1 184 MET 0.76 0.66 1 186 ASP 7.22 -0.63 1 187 GLU 2.95 -0.25 1 190 ARG 2.64 -1.18 1 191 LEU 4.57 -0.96 1 193 THR 6.64 -1.38 1 194 LEU 3.39 -0.61 1 196 ASN 5.39 -2.16 1 197 TYR 3.33 -0.85 1 198 ALA 3.38 -1.11 1 199 ILE 4.18 -0.44 1 200 MET 3.28 -0.89 1 201 LYS 2.50 -1.46 1 202 ARG 2.11 -1.35 1 203 ILE 1.83 -0.93 1 205 ARG 0.30 -0.38 1 206 ASP 0.67 -0.34 1 207 ARG 1.13 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27398_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.72 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _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 -0.51 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 2.87 _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 130 SER -2.65 9.08 0 16 ASN 0.49 0.26 1 17 ASP 0.43 0.86 1 18 SER 1.41 0.83 1 26 LYS 0.20 0.14 1 27 ALA -0.03 0.12 1 28 ARG 0.04 2.26 1 47 LYS 0.66 0.55 1 49 GLU -0.87 -0.09 1 50 ARG 2.21 0.98 1 51 ILE 1.83 1.09 1 74 MET -3.07 -1.02 1 75 LEU -1.87 0.38 1 79 GLU 3.26 1.93 1 80 THR 5.73 1.71 1 81 ALA 4.48 1.65 1 82 ILE 1.72 0.62 1 83 ALA 4.52 4.01 1 84 HIS 3.92 5.94 1 85 ALA 2.26 5.18 1 86 LYS 5.44 0.87 1 87 LYS 1.98 2.57 1 88 THR -0.45 0.78 1 89 SER 6.43 -1.31 1 90 ILE -3.79 -1.39 1 91 TRP -7.61 -2.26 1 92 ALA -1.76 -3.52 1 93 VAL -2.30 0.47 1 94 LYS 0.87 1.65 1 95 LYS 4.96 2.72 1 96 ASP 3.54 0.84 1 97 SER -1.14 1.15 1 99 LYS 5.34 2.29 1 100 ARG 4.42 3.40 1 101 ILE 5.64 0.70 1 102 SER 3.84 3.32 1 103 ASP 3.48 2.97 1 104 ALA 4.49 1.00 1 105 TYR 3.08 0.33 1 106 LYS 2.39 1.34 1 107 LYS -2.27 -1.21 1 108 ALA -3.86 -0.50 1 109 SER 1.27 -1.85 1 110 VAL -2.32 -2.54 1 114 PHE -1.55 -0.55 1 116 ALA -0.42 -0.47 1 117 GLN 8.19 1.25 1 120 TYR 3.97 -0.30 1 121 ASN 3.05 1.46 1 122 ALA -0.19 -0.11 1 125 TYR -2.95 -2.06 1 126 ALA -7.72 -2.86 1 127 GLN -5.85 -0.42 1 128 VAL 3.59 0.58 1 129 VAL -0.34 -0.96 1 131 ASP -3.00 0.81 1 132 LEU 1.33 0.01 1 134 SER 6.85 0.29 1 135 THR 1.09 0.06 1 136 GLU -0.85 -1.92 1 137 LEU -2.20 -1.94 1 143 SER 3.38 0.55 1 144 SER 1.95 0.93 1 145 HIS 1.13 0.71 1 146 ALA -2.91 0.04 1 149 VAL -4.40 -1.79 1 150 ARG -0.19 0.01 1 151 ILE -4.79 -2.47 1 152 LYS -3.78 0.30 1 153 TRP 2.98 0.44 1 154 ILE 2.84 0.69 1 155 LYS -5.77 -0.74 1 156 THR -3.33 -2.00 1 158 ASN 3.02 -0.74 1 159 LEU -3.29 -3.40 1 160 PHE -0.58 -0.63 1 161 SER -3.26 1.30 1 165 SER 4.24 2.92 1 166 GLU 3.82 2.62 1 168 VAL 6.53 1.71 1 169 SER 3.47 -1.73 1 170 HIS -0.99 1.68 1 171 MET 0.72 -0.22 1 172 ASP -1.53 0.52 1 173 HIS 4.07 1.24 1 175 SER -1.61 -1.73 1 176 GLU 1.25 -0.66 1 177 ALA -1.73 -1.79 1 178 ARG -3.13 -0.40 1 179 ASP 1.98 1.37 1 181 MET 0.65 -2.46 1 182 GLU -0.22 -0.10 1 183 MET -3.17 -1.97 1 186 ASP 7.22 3.68 1 187 GLU 2.95 1.04 1 190 ARG 2.64 1.97 1 191 LEU 4.57 1.43 1 193 THR 6.64 1.76 1 194 LEU 3.39 3.25 1 196 ASN 5.39 3.87 1 197 TYR 3.33 1.87 1 198 ALA 3.38 3.19 1 199 ILE 4.18 2.21 1 200 MET 3.28 2.13 1 201 LYS 2.50 1.11 1 202 ARG 2.11 0.98 1 203 ILE 1.83 1.09 1 205 ARG 0.30 -0.02 1 206 ASP 0.67 -0.88 1 207 ARG 1.13 4.86 1 stop_ save_