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 bmr4022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 -3.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.65 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 5.02 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 197 SER -8.60 -1.60 0 92 GLN -6.10 0.30 0 226 PHE 5.60 0.10 0 51 TYR -4.70 -5.50 0 10 LYS 1.50 1.10 1 11 ASN -0.80 -0.90 1 14 GLU 3.10 1.90 1 15 GLN -0.30 -0.60 1 16 TRP 1.40 1.00 1 17 SER 3.70 1.90 1 18 LYS 3.20 2.40 1 19 LEU -2.30 0.10 1 20 TYR -1.50 -0.80 1 22 ILE -0.50 -0.40 1 23 ALA 1.70 1.20 1 24 ASN -0.50 -0.90 1 26 ASN 0.50 1.00 1 27 ASN -2.60 -1.70 1 28 GLN -2.70 -0.20 1 29 SER 0.70 0.60 1 31 VAL -5.80 -3.20 1 32 ASP -3.00 -1.80 1 33 ILE 1.70 0.50 1 34 LYS -0.60 -2.00 1 35 THR 5.30 4.40 1 36 SER 2.60 1.60 1 37 GLU -2.10 -1.20 1 38 THR -1.70 -0.40 1 39 LYS -3.70 -2.20 1 40 HIS 1.40 0.30 1 41 ASP -2.60 -1.70 1 42 THR 2.70 1.30 1 43 SER 1.20 1.10 1 44 LEU 0.40 0.00 1 45 LYS 0.20 -0.60 1 47 ILE -0.60 -0.60 1 48 SER -2.40 -1.80 1 49 VAL -3.20 -3.00 1 50 SER -1.30 -2.30 1 52 ASN -4.40 -2.10 1 54 ALA 2.10 1.30 1 55 THR 0.10 1.00 1 56 ALA 3.70 2.50 1 57 LYS -2.40 1.50 1 58 GLU -4.90 -1.20 1 59 ILE -6.30 -2.80 1 60 ILE -6.10 -1.90 1 61 ASN 0.70 0.00 1 62 VAL 0.30 -2.40 1 64 HIS -2.40 -0.40 1 65 SER -1.00 -2.00 1 66 PHE -4.70 -1.90 1 67 HIS -9.00 -2.80 1 68 VAL 1.70 -0.80 1 69 ASN -3.40 -0.80 1 70 PHE -3.50 -1.30 1 71 GLU 0.20 1.10 1 72 ASP -0.30 -0.70 1 73 ASN 0.80 1.00 1 74 ASP -1.80 -1.40 1 75 ASN 0.40 -1.00 1 76 ARG 3.20 4.40 1 77 SER -4.20 -2.40 1 78 VAL -8.10 -3.30 1 79 LEU -5.00 -1.70 1 80 LYS -5.10 -1.60 1 84 PHE -0.40 -0.10 1 85 SER 0.60 0.80 1 86 ASP -3.70 -0.80 1 87 SER -1.30 -0.60 1 88 TYR -4.30 -1.70 1 89 ARG -2.10 -0.50 1 90 LEU 1.60 1.10 1 91 PHE -2.20 0.10 1 93 PHE -5.00 -0.60 1 94 HIS -2.70 0.30 1 95 PHE -5.00 -1.80 1 96 HIS -4.60 -1.30 1 97 TRP -1.10 -0.10 1 99 SER 3.20 2.80 1 100 THR -4.80 -3.00 1 101 ASN 3.10 1.70 1 102 GLU 2.10 1.90 1 103 HIS -3.70 -1.10 1 105 SER 0.00 -0.10 1 106 GLU 1.80 2.00 1 107 HIS 5.70 5.30 1 108 THR -3.50 -2.20 1 109 VAL -2.30 -1.00 1 110 ASP 4.10 2.30 1 112 VAL 2.30 1.30 1 113 LYS -0.70 -0.30 1 114 TYR -0.10 -0.40 1 115 SER 4.00 4.20 1 116 ALA -3.90 -0.50 1 117 GLU -6.50 -0.40 1 118 LEU -2.80 -1.30 1 119 HIS -7.10 -2.50 1 120 VAL 0.10 -0.40 1 121 ALA -3.80 0.10 1 122 HIS -5.50 -0.20 1 123 TRP -7.40 -2.70 1 124 ASN 1.80 0.30 1 125 SER 0.90 -0.40 1 126 ALA 1.00 0.90 1 127 LYS -1.80 -0.30 1 128 TYR -3.70 -1.90 1 129 SER 0.10 0.90 1 130 SER -3.20 -1.50 1 131 LEU 4.30 1.80 1 132 ALA 3.30 2.00 1 133 GLU 0.70 1.60 1 134 ALA 0.60 1.80 1 135 ALA 4.40 3.10 1 136 SER -1.30 -1.80 1 137 LYS -2.90 -2.70 1 138 ALA 3.30 3.00 1 139 ASP -0.20 -1.80 1 141 LEU -5.30 -1.70 1 142 ALA -5.80 -1.70 1 143 VAL -2.70 -2.50 1 144 ILE -2.70 -1.40 1 146 VAL -3.70 -2.00 1 147 LEU 1.50 0.20 1 148 MET -3.20 -1.40 1 149 LYS -5.60 -2.20 1 150 VAL 1.00 -0.70 1 152 GLU -0.50 -0.30 1 153 ALA 1.00 0.30 1 154 ASN 0.40 1.50 1 156 LYS 3.00 1.20 1 157 LEU -1.50 -0.50 1 158 GLN 4.70 4.20 1 159 LYS 3.80 3.70 1 160 VAL 4.40 3.40 1 161 LEU 4.50 2.20 1 162 ASP 3.20 2.60 1 163 ALA 0.20 0.70 1 164 LEU 4.10 1.70 1 165 GLN 3.50 1.90 1 166 ALA -1.00 0.00 1 167 ILE -2.00 -2.40 1 168 LYS 3.60 4.20 1 169 THR -4.70 -3.50 1 170 LYS 3.20 2.10 1 172 LYS 0.30 0.40 1 173 ARG -6.10 -2.40 1 174 ALA -3.40 -0.70 1 176 PHE -0.30 0.70 1 177 THR -5.40 -3.20 1 178 ASN 2.50 0.60 1 179 PHE -4.20 0.30 1 180 ASP -4.70 -3.40 1 183 THR 1.70 1.90 1 184 LEU -1.20 -0.70 1 185 LEU 1.80 -0.20 1 187 SER 3.20 2.50 1 188 SER -2.40 -2.00 1 189 LEU 0.40 -1.50 1 190 ASP 2.70 2.00 1 191 PHE -4.30 -0.90 1 192 TRP -2.10 -0.20 1 193 THR -4.40 -3.60 1 194 TYR -1.50 0.10 1 198 LEU -1.40 -0.10 1 199 THR 1.70 -0.30 1 200 HIS -1.20 -1.40 1 203 LEU 7.00 2.00 1 204 TYR -1.60 -1.70 1 205 GLU 2.70 -0.90 1 206 SER -5.40 -2.30 1 207 VAL -3.20 -0.50 1 208 THR 3.10 1.50 1 209 TRP -1.30 0.70 1 210 ILE -2.30 -2.90 1 211 ILE -2.50 -4.20 1 213 LYS 1.70 1.60 1 214 GLU -1.60 -1.20 1 215 SER -3.90 -1.40 1 216 ILE -3.20 -1.10 1 217 SER -2.80 -0.70 1 218 VAL -2.50 -1.70 1 219 SER -4.20 -1.90 1 220 SER -4.10 -1.90 1 221 GLU 4.50 3.30 1 222 GLN 4.40 3.70 1 223 LEU 3.40 2.50 1 224 ALA 3.30 2.00 1 225 GLN 4.50 3.30 1 227 ARG 1.10 0.50 1 228 SER 0.60 0.60 1 229 LEU 0.00 0.40 1 230 LEU -0.20 -1.20 1 231 SER -2.00 0.30 1 232 ASN -4.40 -1.20 1 233 VAL -0.90 -0.70 1 234 GLU 2.30 1.90 1 236 ASP -3.00 -1.60 1 237 ASN 1.30 0.90 1 238 ALA -0.10 0.20 1 239 VAL -2.30 -0.30 1 241 MET -0.10 -0.50 1 242 GLN 2.60 3.90 1 243 HIS -3.40 -1.20 1 244 ASN 1.10 -1.40 1 245 ASN -1.40 -1.30 1 248 THR 0.30 0.70 1 249 GLN -2.70 -2.30 1 251 LEU 2.90 2.80 1 252 LYS 4.10 0.70 1 254 ARG -1.80 0.90 1 255 THR -0.60 0.40 1 256 VAL 0.90 -0.50 1 257 ARG -4.60 -1.60 1 258 ALA -6.70 -2.80 1 259 SER 0.50 0.30 1 260 PHE -3.00 -1.90 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 5.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -1.98 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 197 SER -8.60 7.00 0 92 GLN -6.10 6.40 0 226 PHE 5.60 -5.50 0 51 TYR -4.70 -0.80 0 10 LYS 1.50 -0.40 1 11 ASN -0.80 -0.10 1 14 GLU 3.10 -1.20 1 15 GLN -0.30 -0.30 1 16 TRP 1.40 -0.40 1 17 SER 3.70 -1.80 1 18 LYS 3.20 -0.80 1 19 LEU -2.30 2.40 1 20 TYR -1.50 0.70 1 22 ILE -0.50 0.10 1 23 ALA 1.70 -0.50 1 24 ASN -0.50 -0.40 1 26 ASN 0.50 0.50 1 27 ASN -2.60 0.90 1 28 GLN -2.70 2.50 1 29 SER 0.70 -0.10 1 31 VAL -5.80 2.60 1 32 ASP -3.00 1.20 1 33 ILE 1.70 -1.20 1 34 LYS -0.60 -1.40 1 35 THR 5.30 -0.90 1 36 SER 2.60 -1.00 1 37 GLU -2.10 0.90 1 38 THR -1.70 1.30 1 39 LYS -3.70 1.50 1 40 HIS 1.40 -1.10 1 41 ASP -2.60 0.90 1 42 THR 2.70 -1.40 1 43 SER 1.20 -0.10 1 44 LEU 0.40 -0.40 1 45 LYS 0.20 -0.80 1 47 ILE -0.60 0.00 1 48 SER -2.40 0.60 1 49 VAL -3.20 0.20 1 50 SER -1.30 -1.00 1 52 ASN -4.40 2.30 1 54 ALA 2.10 -0.80 1 55 THR 0.10 0.90 1 56 ALA 3.70 -1.20 1 57 LYS -2.40 3.90 1 58 GLU -4.90 3.70 1 59 ILE -6.30 3.50 1 60 ILE -6.10 4.20 1 61 ASN 0.70 -0.70 1 62 VAL 0.30 -2.70 1 64 HIS -2.40 2.00 1 65 SER -1.00 -1.00 1 66 PHE -4.70 2.80 1 67 HIS -9.00 6.20 1 68 VAL 1.70 -2.50 1 69 ASN -3.40 2.60 1 70 PHE -3.50 2.20 1 71 GLU 0.20 0.90 1 72 ASP -0.30 -0.40 1 73 ASN 0.80 0.20 1 74 ASP -1.80 0.40 1 75 ASN 0.40 -1.40 1 76 ARG 3.20 1.20 1 77 SER -4.20 1.80 1 78 VAL -8.10 4.80 1 79 LEU -5.00 3.30 1 80 LYS -5.10 3.50 1 84 PHE -0.40 0.30 1 85 SER 0.60 0.20 1 86 ASP -3.70 2.90 1 87 SER -1.30 0.70 1 88 TYR -4.30 2.60 1 89 ARG -2.10 1.60 1 90 LEU 1.60 -0.50 1 91 PHE -2.20 2.30 1 93 PHE -5.00 4.40 1 94 HIS -2.70 3.00 1 95 PHE -5.00 3.20 1 96 HIS -4.60 3.30 1 97 TRP -1.10 1.00 1 99 SER 3.20 -0.40 1 100 THR -4.80 1.80 1 101 ASN 3.10 -1.40 1 102 GLU 2.10 -0.20 1 103 HIS -3.70 2.60 1 105 SER 0.00 -0.10 1 106 GLU 1.80 0.20 1 107 HIS 5.70 -0.40 1 108 THR -3.50 1.30 1 109 VAL -2.30 1.30 1 110 ASP 4.10 -1.80 1 112 VAL 2.30 -1.00 1 113 LYS -0.70 0.40 1 114 TYR -0.10 -0.30 1 115 SER 4.00 0.20 1 116 ALA -3.90 3.40 1 117 GLU -6.50 6.10 1 118 LEU -2.80 1.50 1 119 HIS -7.10 4.60 1 120 VAL 0.10 -0.50 1 121 ALA -3.80 3.90 1 122 HIS -5.50 5.30 1 123 TRP -7.40 4.70 1 124 ASN 1.80 -1.50 1 125 SER 0.90 -1.30 1 126 ALA 1.00 -0.10 1 127 LYS -1.80 1.50 1 128 TYR -3.70 1.80 1 129 SER 0.10 0.80 1 130 SER -3.20 1.70 1 131 LEU 4.30 -2.50 1 132 ALA 3.30 -1.30 1 133 GLU 0.70 0.90 1 134 ALA 0.60 1.20 1 135 ALA 4.40 -1.30 1 136 SER -1.30 -0.50 1 137 LYS -2.90 0.20 1 138 ALA 3.30 -0.30 1 139 ASP -0.20 -1.60 1 141 LEU -5.30 3.60 1 142 ALA -5.80 4.10 1 143 VAL -2.70 0.20 1 144 ILE -2.70 1.30 1 146 VAL -3.70 1.70 1 147 LEU 1.50 -1.30 1 148 MET -3.20 1.80 1 149 LYS -5.60 3.40 1 150 VAL 1.00 -1.70 1 152 GLU -0.50 0.20 1 153 ALA 1.00 -0.70 1 154 ASN 0.40 1.10 1 156 LYS 3.00 -1.80 1 157 LEU -1.50 1.00 1 158 GLN 4.70 -0.50 1 159 LYS 3.80 -0.10 1 160 VAL 4.40 -1.00 1 161 LEU 4.50 -2.30 1 162 ASP 3.20 -0.60 1 163 ALA 0.20 0.50 1 164 LEU 4.10 -2.40 1 165 GLN 3.50 -1.60 1 166 ALA -1.00 1.00 1 167 ILE -2.00 -0.40 1 168 LYS 3.60 0.60 1 169 THR -4.70 1.20 1 170 LYS 3.20 -1.10 1 172 LYS 0.30 0.10 1 173 ARG -6.10 3.70 1 174 ALA -3.40 2.70 1 176 PHE -0.30 1.00 1 177 THR -5.40 2.20 1 178 ASN 2.50 -1.90 1 179 PHE -4.20 4.50 1 180 ASP -4.70 1.30 1 183 THR 1.70 0.20 1 184 LEU -1.20 0.50 1 185 LEU 1.80 -2.00 1 187 SER 3.20 -0.70 1 188 SER -2.40 0.40 1 189 LEU 0.40 -1.90 1 190 ASP 2.70 -0.70 1 191 PHE -4.30 3.40 1 192 TRP -2.10 1.90 1 193 THR -4.40 0.80 1 194 TYR -1.50 1.60 1 198 LEU -1.40 1.30 1 199 THR 1.70 -2.00 1 200 HIS -1.20 -0.20 1 203 LEU 7.00 -5.00 1 204 TYR -1.60 -0.10 1 205 GLU 2.70 -3.60 1 206 SER -5.40 3.10 1 207 VAL -3.20 2.70 1 208 THR 3.10 -1.60 1 209 TRP -1.30 2.00 1 210 ILE -2.30 -0.60 1 211 ILE -2.50 -1.70 1 213 LYS 1.70 -0.10 1 214 GLU -1.60 0.40 1 215 SER -3.90 2.50 1 216 ILE -3.20 2.10 1 217 SER -2.80 2.10 1 218 VAL -2.50 0.80 1 219 SER -4.20 2.30 1 220 SER -4.10 2.20 1 221 GLU 4.50 -1.20 1 222 GLN 4.40 -0.70 1 223 LEU 3.40 -0.90 1 224 ALA 3.30 -1.30 1 225 GLN 4.50 -1.20 1 227 ARG 1.10 -0.60 1 228 SER 0.60 0.00 1 229 LEU 0.00 0.40 1 230 LEU -0.20 -1.00 1 231 SER -2.00 2.30 1 232 ASN -4.40 3.20 1 233 VAL -0.90 0.20 1 234 GLU 2.30 -0.40 1 236 ASP -3.00 1.40 1 237 ASN 1.30 -0.40 1 238 ALA -0.10 0.30 1 239 VAL -2.30 2.00 1 241 MET -0.10 -0.40 1 242 GLN 2.60 1.30 1 243 HIS -3.40 2.20 1 244 ASN 1.10 -2.50 1 245 ASN -1.40 0.10 1 248 THR 0.30 0.40 1 249 GLN -2.70 0.40 1 251 LEU 2.90 -0.10 1 252 LYS 4.10 -3.40 1 254 ARG -1.80 2.70 1 255 THR -0.60 1.00 1 256 VAL 0.90 -1.40 1 257 ARG -4.60 3.00 1 258 ALA -6.70 3.90 1 259 SER 0.50 -0.20 1 260 PHE -3.00 1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 1.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 193 THR -4.40 1.78 0 67 HIS -9.00 0.30 0 131 LEU 4.30 -1.84 0 10 LYS 1.50 -0.07 1 11 ASN -0.80 0.05 1 14 GLU 3.10 -0.34 1 15 GLN -0.30 0.21 1 16 TRP 1.40 -0.06 1 17 SER 3.70 -0.20 1 18 LYS 3.20 -0.27 1 19 LEU -2.30 -0.15 1 22 ILE -0.50 -0.04 1 23 ALA 1.70 -0.22 1 24 ASN -0.50 0.29 1 26 ASN 0.50 -0.05 1 27 ASN -2.60 0.16 1 28 GLN -2.70 0.10 1 29 SER 0.70 0.03 1 31 VAL -5.80 0.48 1 32 ASP -3.00 0.25 1 33 ILE 1.70 -0.86 1 34 LYS -0.60 0.52 1 35 THR 5.30 -0.55 1 36 SER 2.60 -0.12 1 37 GLU -2.10 0.25 1 38 THR -1.70 0.23 1 39 LYS -3.70 0.28 1 40 HIS 1.40 -0.12 1 41 ASP -2.60 0.23 1 42 THR 2.70 -0.37 1 43 SER 1.20 -0.12 1 44 LEU 0.40 -0.36 1 45 LYS 0.20 0.03 1 47 ILE -0.60 0.21 1 48 SER -2.40 0.14 1 49 VAL -3.20 0.30 1 50 SER -1.30 -0.08 1 51 TYR -4.70 0.70 1 52 ASN -4.40 0.24 1 54 ALA 2.10 0.28 1 55 THR 0.10 0.01 1 56 ALA 3.70 -1.14 1 57 LYS -2.40 0.46 1 58 GLU -4.90 0.87 1 59 ILE -6.30 1.35 1 60 ILE -6.10 0.98 1 61 ASN 0.70 -0.19 1 62 VAL 0.30 0.40 1 64 HIS -2.40 -0.11 1 65 SER -1.00 -0.16 1 66 PHE -4.70 0.88 1 68 VAL 1.70 0.43 1 69 ASN -3.40 1.02 1 70 PHE -3.50 0.31 1 71 GLU 0.20 0.04 1 72 ASP -0.30 0.44 1 73 ASN 0.80 0.10 1 74 ASP -1.80 -0.15 1 75 ASN 0.40 0.03 1 76 ARG 3.20 -0.34 1 77 SER -4.20 1.62 1 78 VAL -8.10 1.45 1 79 LEU -5.00 0.40 1 80 LYS -5.10 0.39 1 84 PHE -0.40 0.26 1 85 SER 0.60 0.10 1 86 ASP -3.70 0.17 1 87 SER -1.30 0.37 1 88 TYR -4.30 0.17 1 89 ARG -2.10 0.37 1 90 LEU 1.60 -0.42 1 91 PHE -2.20 0.87 1 92 GLN -6.10 1.65 1 93 PHE -5.00 1.02 1 94 HIS -2.70 -0.40 1 95 PHE -5.00 1.06 1 96 HIS -4.60 0.29 1 97 TRP -1.10 0.43 1 99 SER 3.20 0.05 1 100 THR -4.80 0.26 1 101 ASN 3.10 -0.37 1 102 GLU 2.10 -0.35 1 103 HIS -3.70 0.19 1 105 SER 0.00 -0.36 1 106 GLU 1.80 0.06 1 107 HIS 5.70 -0.64 1 108 THR -3.50 0.41 1 109 VAL -2.30 0.51 1 110 ASP 4.10 -0.28 1 112 VAL 2.30 -0.34 1 113 LYS -0.70 -0.06 1 114 TYR -0.10 0.42 1 115 SER 4.00 0.11 1 116 ALA -3.90 0.38 1 117 GLU -6.50 0.95 1 118 LEU -2.80 0.32 1 119 HIS -7.10 0.21 1 120 VAL 0.10 0.10 1 121 ALA -3.80 0.48 1 122 HIS -5.50 1.32 1 123 TRP -7.40 1.64 1 124 ASN 1.80 -1.29 1 125 SER 0.90 0.18 1 126 ALA 1.00 -0.09 1 127 LYS -1.80 -0.39 1 128 TYR -3.70 0.51 1 129 SER 0.10 0.14 1 130 SER -3.20 -0.62 1 132 ALA 3.30 -0.68 1 133 GLU 0.70 -0.59 1 134 ALA 0.60 -1.23 1 135 ALA 4.40 -0.70 1 136 SER -1.30 -0.78 1 137 LYS -2.90 0.07 1 138 ALA 3.30 -0.01 1 139 ASP -0.20 0.43 1 141 LEU -5.30 1.52 1 142 ALA -5.80 0.62 1 143 VAL -2.70 0.77 1 144 ILE -2.70 1.03 1 146 VAL -3.70 0.66 1 147 LEU 1.50 0.05 1 148 MET -3.20 0.96 1 149 LYS -5.60 0.82 1 150 VAL 1.00 0.79 1 152 GLU -0.50 -0.19 1 153 ALA 1.00 -0.51 1 156 LYS 3.00 -0.05 1 157 LEU -1.50 -0.03 1 158 GLN 4.70 -0.76 1 159 LYS 3.80 -0.19 1 160 VAL 4.40 -0.62 1 161 LEU 4.50 -0.66 1 162 ASP 3.20 -0.32 1 163 ALA 0.20 -0.02 1 164 LEU 4.10 -0.68 1 165 GLN 3.50 -0.45 1 166 ALA -1.00 0.08 1 167 ILE -2.00 0.58 1 168 LYS 3.60 -0.47 1 169 THR -4.70 0.38 1 170 LYS 3.20 -0.75 1 172 LYS 0.30 0.08 1 173 ARG -6.10 1.08 1 174 ALA -3.40 0.31 1 176 PHE -0.30 -0.28 1 177 THR -5.40 0.26 1 178 ASN 2.50 -0.61 1 179 PHE -4.20 0.08 1 180 ASP -4.70 0.07 1 183 THR 1.70 -0.19 1 184 LEU -1.20 0.05 1 185 LEU 1.80 -0.36 1 187 SER 3.20 -0.39 1 188 SER -2.40 0.11 1 189 LEU 0.40 0.26 1 190 ASP 2.70 -0.32 1 191 PHE -4.30 0.88 1 192 TRP -2.10 1.17 1 194 TYR -1.50 0.43 1 197 SER -8.60 1.39 1 198 LEU -1.40 0.21 1 199 THR 1.70 -0.07 1 200 HIS -1.20 -0.83 1 203 LEU 7.00 -0.94 1 204 TYR -1.60 -0.19 1 205 GLU 2.70 0.14 1 206 SER -5.40 0.45 1 207 VAL -3.20 -0.10 1 208 THR 3.10 -0.06 1 209 TRP -1.30 -0.25 1 210 ILE -2.30 0.64 1 211 ILE -2.50 1.07 1 213 LYS 1.70 -0.44 1 214 GLU -1.60 0.05 1 215 SER -3.90 0.48 1 216 ILE -3.20 0.73 1 217 SER -2.80 0.97 1 218 VAL -2.50 0.34 1 219 SER -4.20 0.72 1 220 SER -4.10 0.36 1 221 GLU 4.50 -0.39 1 222 GLN 4.40 -0.59 1 223 LEU 3.40 -1.01 1 224 ALA 3.30 -0.47 1 225 GLN 4.50 -0.54 1 226 PHE 5.60 -0.82 1 227 ARG 1.10 0.06 1 228 SER 0.60 -0.12 1 229 LEU 0.00 -0.17 1 230 LEU -0.20 0.61 1 231 SER -2.00 0.37 1 232 ASN -4.40 0.03 1 233 VAL -0.90 0.10 1 234 GLU 2.30 -0.39 1 236 ASP -3.00 0.33 1 237 ASN 1.30 -0.39 1 238 ALA -0.10 -0.10 1 239 VAL -2.30 0.04 1 241 MET -0.10 -0.08 1 242 GLN 2.60 -0.25 1 243 HIS -3.40 -0.33 1 244 ASN 1.10 0.09 1 245 ASN -1.40 0.62 1 248 THR 0.30 -0.78 1 249 GLN -2.70 -0.25 1 251 LEU 2.90 -0.40 1 252 LYS 4.10 -0.47 1 254 ARG -1.80 -0.01 1 255 THR -0.60 0.05 1 256 VAL 0.90 0.41 1 257 ARG -4.60 1.00 1 258 ALA -6.70 0.63 1 259 SER 0.50 -0.49 1 260 PHE -3.00 -0.35 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4022_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 -2.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 1.12 _LACS_plot.Y_axis_chem_shift_offset 0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 203 LEU 7.00 -4.40 0 10 LYS 1.50 0.40 1 11 ASN -0.80 0.80 1 14 GLU 3.10 0.40 1 15 GLN -0.30 2.20 1 16 TRP 1.40 1.90 1 17 SER 3.70 0.30 1 18 LYS 3.20 0.70 1 19 LEU -2.30 -1.30 1 22 ILE -0.50 -1.50 1 23 ALA 1.70 0.70 1 24 ASN -0.50 0.30 1 26 ASN 0.50 -0.20 1 27 ASN -2.60 -0.70 1 29 SER 0.70 -0.80 1 31 VAL -5.80 -3.20 1 32 ASP -3.00 -1.20 1 33 ILE 1.70 -2.50 1 34 LYS -0.60 2.50 1 35 THR 5.30 3.20 1 36 SER 2.60 0.60 1 37 GLU -2.10 0.60 1 38 THR -1.70 -0.70 1 40 HIS 1.40 -0.40 1 41 ASP -2.60 0.10 1 42 THR 2.70 0.30 1 43 SER 1.20 0.70 1 44 LEU 0.40 -1.70 1 45 LYS 0.20 -1.20 1 47 ILE -0.60 -1.30 1 48 SER -2.40 -1.60 1 49 VAL -3.20 -1.10 1 50 SER -1.30 -1.90 1 51 TYR -4.70 -1.70 1 52 ASN -4.40 1.90 1 54 ALA 2.10 1.00 1 55 THR 0.10 0.60 1 56 ALA 3.70 -1.80 1 57 LYS -2.40 0.50 1 58 GLU -4.90 -5.10 1 59 ILE -6.30 -3.60 1 60 ILE -6.10 -2.40 1 61 ASN 0.70 1.50 1 62 VAL 0.30 0.20 1 64 HIS -2.40 0.10 1 65 SER -1.00 -0.40 1 66 PHE -4.70 -3.00 1 67 HIS -9.00 -0.30 1 68 VAL 1.70 -1.50 1 69 ASN -3.40 -0.10 1 70 PHE -3.50 0.20 1 71 GLU 0.20 1.30 1 72 ASP -0.30 -0.70 1 73 ASN 0.80 -1.00 1 74 ASP -1.80 -1.00 1 75 ASN 0.40 -1.10 1 76 ARG 3.20 1.40 1 77 SER -4.20 -1.00 1 78 VAL -8.10 -3.20 1 79 LEU -5.00 -3.80 1 80 LYS -5.10 -1.80 1 84 PHE -0.40 0.30 1 85 SER 0.60 -1.00 1 86 ASP -3.70 -1.70 1 87 SER -1.30 -1.90 1 88 TYR -4.30 -1.30 1 89 ARG -2.10 0.30 1 90 LEU 1.60 -1.80 1 91 PHE -2.20 -1.30 1 92 GLN -6.10 -1.50 1 93 PHE -5.00 -3.70 1 94 HIS -2.70 -3.60 1 95 PHE -5.00 -0.80 1 96 HIS -4.60 -1.40 1 97 TRP -1.10 -3.10 1 99 SER 3.20 -0.20 1 100 THR -4.80 1.40 1 101 ASN 3.10 0.20 1 102 GLU 2.10 -0.60 1 103 HIS -3.70 -1.10 1 105 SER 0.00 -2.80 1 106 GLU 1.80 0.20 1 107 HIS 5.70 -0.70 1 109 VAL -2.30 0.90 1 110 ASP 4.10 -0.20 1 112 VAL 2.30 -1.50 1 113 LYS -0.70 -0.50 1 114 TYR -0.10 -0.20 1 116 ALA -3.90 -2.90 1 117 GLU -6.50 -3.70 1 118 LEU -2.80 -2.90 1 119 HIS -7.10 0.10 1 120 VAL 0.10 -1.90 1 121 ALA -3.80 -3.30 1 122 HIS -5.50 0.80 1 123 TRP -7.40 0.00 1 124 ASN 1.80 -2.10 1 125 SER 0.90 0.90 1 126 ALA 1.00 1.40 1 127 LYS -1.80 -0.90 1 128 TYR -3.70 -0.40 1 129 SER 0.10 -0.60 1 130 SER -3.20 -2.70 1 131 LEU 4.30 -0.80 1 132 ALA 3.30 2.20 1 133 GLU 0.70 0.30 1 134 ALA 0.60 2.00 1 135 ALA 4.40 -2.20 1 136 SER -1.30 0.30 1 137 LYS -2.90 1.20 1 138 ALA 3.30 0.00 1 139 ASP -0.20 3.00 1 141 LEU -5.30 -1.10 1 142 ALA -5.80 -0.80 1 143 VAL -2.70 -2.50 1 144 ILE -2.70 -0.70 1 146 VAL -3.70 -0.90 1 147 LEU 1.50 -1.70 1 148 MET -3.20 -1.50 1 149 LYS -5.60 -0.60 1 150 VAL 1.00 0.00 1 152 GLU -0.50 -0.80 1 153 ALA 1.00 -0.90 1 156 LYS 3.00 1.90 1 157 LEU -1.50 0.60 1 158 GLN 4.70 0.20 1 159 LYS 3.80 3.30 1 160 VAL 4.40 -0.10 1 161 LEU 4.50 2.80 1 162 ASP 3.20 1.70 1 163 ALA 0.20 0.80 1 164 LEU 4.10 1.90 1 165 GLN 3.50 0.70 1 166 ALA -1.00 0.40 1 168 LYS 3.60 -1.40 1 170 LYS 3.20 1.10 1 172 LYS 0.30 -2.30 1 173 ARG -6.10 -1.60 1 174 ALA -3.40 -2.50 1 176 PHE -0.30 -4.20 1 177 THR -5.40 0.10 1 178 ASN 2.50 -1.50 1 179 PHE -4.20 -3.90 1 180 ASP -4.70 0.40 1 183 THR 1.70 0.20 1 184 LEU -1.20 -1.90 1 185 LEU 1.80 -0.80 1 187 SER 3.20 0.20 1 188 SER -2.40 0.70 1 189 LEU 0.40 -0.70 1 190 ASP 2.70 0.80 1 191 PHE -4.30 -3.60 1 192 TRP -2.10 1.20 1 193 THR -4.40 -3.80 1 194 TYR -1.50 -4.10 1 197 SER -8.60 1.30 1 198 LEU -1.40 2.70 1 199 THR 1.70 -1.60 1 200 HIS -1.20 -1.40 1 204 TYR -1.60 2.10 1 205 GLU 2.70 0.70 1 206 SER -5.40 -1.20 1 207 VAL -3.20 -0.40 1 208 THR 3.10 -1.40 1 209 TRP -1.30 0.70 1 210 ILE -2.30 -2.50 1 211 ILE -2.50 0.30 1 213 LYS 1.70 0.50 1 214 GLU -1.60 -0.30 1 215 SER -3.90 0.30 1 216 ILE -3.20 -1.60 1 217 SER -2.80 -2.00 1 218 VAL -2.50 -3.80 1 219 SER -4.20 2.10 1 220 SER -4.10 -0.40 1 221 GLU 4.50 2.40 1 222 GLN 4.40 1.40 1 223 LEU 3.40 1.30 1 224 ALA 3.30 2.50 1 225 GLN 4.50 3.40 1 226 PHE 5.60 -0.50 1 227 ARG 1.10 -0.10 1 228 SER 0.60 0.80 1 229 LEU 0.00 -2.50 1 230 LEU -0.20 -1.30 1 231 SER -2.00 -0.40 1 232 ASN -4.40 0.00 1 233 VAL -0.90 0.90 1 234 GLU 2.30 -0.20 1 236 ASP -3.00 -1.00 1 237 ASN 1.30 0.20 1 238 ALA -0.10 0.90 1 239 VAL -2.30 -1.80 1 241 MET -0.10 -1.20 1 242 GLN 2.60 -1.60 1 243 HIS -3.40 0.20 1 244 ASN 1.10 -0.10 1 245 ASN -1.40 -1.30 1 248 THR 0.30 -0.70 1 249 GLN -2.70 -1.40 1 251 LEU 2.90 1.80 1 252 LYS 4.10 0.40 1 254 ARG -1.80 -1.20 1 255 THR -0.60 -1.20 1 256 VAL 0.90 -0.60 1 257 ARG -4.60 -1.20 1 258 ALA -6.70 -0.90 1 259 SER 0.50 -3.50 1 stop_ save_