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 bmr4076_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 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 3.90 _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 146 LEU -0.70 -2.40 0 23 LYS -0.30 2.80 0 253 LYS 6.50 5.00 0 54 ASN 0.30 -2.20 0 10 GLU 2.00 1.50 1 11 LYS 1.70 1.20 1 12 ASN -0.80 -0.40 1 13 SER -3.80 -0.30 1 14 VAL -2.70 -1.10 1 15 SER -1.50 -1.00 1 16 VAL -1.60 -0.10 1 17 ASP 0.40 1.10 1 18 LEU -3.70 -1.30 1 21 GLU 3.70 0.50 1 22 MET -4.50 -1.00 1 24 VAL -6.10 -3.20 1 25 LEU -1.90 -1.50 1 26 VAL -4.20 -2.80 1 27 SER 1.20 1.50 1 28 LYS 2.20 2.70 1 29 GLU -5.60 -2.90 1 30 LYS -0.90 0.20 1 31 ASN -2.00 -2.00 1 32 LYS 4.00 2.60 1 33 ASP -0.40 0.30 1 35 LYS -5.30 -2.40 1 36 TYR 1.60 1.40 1 37 ASP -1.90 0.90 1 38 LEU -5.30 -1.40 1 39 ILE -4.80 -1.00 1 40 ALA -5.80 -1.30 1 41 THR -0.30 -0.30 1 42 VAL -2.60 -1.00 1 43 ASP 3.40 1.80 1 44 LYS 4.10 1.70 1 45 LEU -2.80 -1.00 1 46 GLU -1.40 -0.40 1 47 LEU -3.50 -1.50 1 48 LYS -5.30 -1.10 1 50 THR -5.30 -2.00 1 51 SER -3.30 -1.70 1 52 ASP 1.50 1.50 1 53 LYS -3.40 -1.10 1 55 ASN 0.60 -0.20 1 57 SER -3.10 -0.90 1 59 VAL -2.60 -0.90 1 60 LEU -4.30 -0.20 1 61 GLU -7.60 -1.60 1 63 VAL -3.20 -1.10 1 64 LYS -1.40 0.20 1 65 ALA 3.60 2.60 1 66 ASP 0.60 -0.90 1 67 LYS 6.50 3.00 1 68 SER 3.20 2.50 1 69 LYS -2.60 -0.60 1 70 VAL -2.60 -1.00 1 71 LYS -5.60 -0.90 1 72 LEU -5.80 -2.10 1 73 THR 0.70 0.80 1 74 ILE -1.50 0.10 1 75 SER 0.90 1.40 1 76 ASP 3.40 3.50 1 77 ASP -1.10 -1.90 1 78 LEU 4.70 1.40 1 80 GLN -5.30 -0.80 1 81 THR -4.20 -2.80 1 82 THR -1.00 0.30 1 83 LEU -3.90 -1.50 1 84 GLU -6.80 -1.50 1 85 VAL -1.40 -0.90 1 86 PHE -5.50 -1.30 1 87 LYS -0.40 0.30 1 88 GLU 2.40 2.10 1 89 ASP 1.50 0.40 1 91 LYS -2.10 0.70 1 92 THR 3.80 1.70 1 93 LEU 0.50 1.10 1 94 VAL 1.00 1.80 1 95 SER -4.50 -0.80 1 96 LYS -4.80 -0.40 1 97 LYS -4.30 -1.00 1 98 VAL -2.20 -1.00 1 99 THR 0.10 0.30 1 100 SER -2.10 -1.10 1 101 LYS 3.00 2.70 1 102 ASP 1.30 -0.20 1 103 LYS 6.60 3.30 1 104 SER -3.30 0.40 1 105 SER -4.50 -0.80 1 106 THR -1.60 0.00 1 107 GLU -5.40 -1.80 1 108 GLU -7.00 -1.80 1 109 LYS -3.20 -1.30 1 110 PHE -3.50 -0.60 1 111 ASN -2.30 -2.30 1 112 GLU 3.70 2.70 1 113 LYS -0.10 -0.50 1 115 GLU -3.20 -2.40 1 116 VAL 2.60 1.40 1 117 SER -1.60 0.10 1 118 GLU -5.50 -1.20 1 119 LYS -4.50 -0.70 1 120 ILE -2.70 -0.90 1 121 ILE -1.70 -0.20 1 122 THR 1.30 0.60 1 123 ARG 0.20 0.10 1 124 ALA 2.90 2.40 1 125 ASP -0.40 -1.00 1 127 THR 0.30 1.10 1 128 ARG -6.70 -1.40 1 129 LEU -4.20 -1.30 1 130 GLU -4.20 -2.00 1 131 TYR -4.30 -3.00 1 132 THR -4.70 -2.20 1 134 ILE 2.70 1.50 1 135 LYS -3.20 -1.20 1 136 SER 4.10 3.30 1 137 ASP 0.50 -0.90 1 139 SER -2.90 -1.30 1 141 LYS -0.60 -0.10 1 142 ALA -9.00 -2.50 1 143 LYS -4.40 -0.80 1 144 GLU -4.80 -2.00 1 145 VAL 2.10 0.90 1 147 LYS 4.00 1.30 1 149 TYR -2.50 -2.00 1 150 VAL -4.90 -2.50 1 151 LEU -5.40 -2.40 1 152 GLU -5.40 -1.10 1 154 THR -3.80 -0.80 1 155 LEU -3.80 -1.00 1 156 THR -4.60 -1.60 1 157 ALA 2.80 1.80 1 158 GLU -0.40 1.10 1 159 LYS -1.70 -0.20 1 160 THR -0.20 0.50 1 161 THR -1.10 0.40 1 162 LEU -1.40 -1.50 1 163 VAL -4.30 -1.00 1 164 VAL -2.60 -0.50 1 165 LYS -4.40 -1.60 1 166 GLU -3.30 -1.10 1 168 THR 3.30 1.20 1 169 VAL 0.20 0.40 1 170 THR -0.70 0.40 1 171 LEU -3.70 -1.10 1 172 SER -2.00 -1.60 1 173 LYS -3.00 -1.40 1 174 ASN -3.60 -1.40 1 175 ILE -2.90 -0.80 1 176 SER -1.40 -0.20 1 177 LYS 4.40 3.10 1 178 SER -0.20 -0.40 1 180 GLU -0.40 0.30 1 181 VAL -1.40 -0.70 1 182 SER -2.40 -1.10 1 183 VAL -3.30 -2.50 1 184 GLU -7.20 -2.80 1 185 LEU -5.60 -1.00 1 186 ASN -4.30 -0.10 1 187 ASP -5.70 -1.80 1 188 THR 2.00 0.80 1 189 ASP 0.90 1.00 1 190 SER -0.30 0.30 1 191 SER -0.60 -0.90 1 192 ALA 2.80 2.20 1 193 ALA 1.30 1.60 1 194 THR -0.40 -0.60 1 195 LYS 1.00 1.20 1 196 LYS 0.00 0.80 1 197 THR -3.70 -1.60 1 198 ALA -7.90 -1.30 1 199 ALA -4.90 -1.70 1 200 TRP -5.00 -2.30 1 201 ASN -2.70 -2.10 1 202 SER 3.00 2.50 1 204 THR -1.30 -1.60 1 205 SER 2.10 0.90 1 206 THR -2.10 -0.10 1 207 LEU -5.30 -1.90 1 208 THR -0.80 0.80 1 209 ILE 0.40 0.80 1 210 THR -2.00 -0.30 1 211 VAL -2.90 -0.40 1 212 ASN 2.50 0.50 1 213 SER 3.60 2.40 1 214 LYS -3.30 -1.50 1 215 LYS 4.00 1.60 1 216 THR 1.50 1.00 1 217 LYS -3.80 -0.20 1 218 ASP -3.30 -1.00 1 219 LEU -3.30 -1.10 1 220 VAL 0.30 -0.50 1 221 PHE 0.60 -0.90 1 222 THR -1.40 0.20 1 223 LYS 2.90 1.50 1 224 GLU 1.20 -0.30 1 225 ASN 4.90 2.60 1 226 THR -5.50 -2.90 1 227 ILE -3.80 -1.30 1 228 THR -4.60 -2.90 1 229 VAL -5.40 -2.70 1 230 GLN -2.30 -0.10 1 231 GLN -2.00 -0.30 1 232 TYR -2.30 0.40 1 233 ASP -0.90 -0.60 1 234 SER 4.00 3.30 1 235 ASN -0.30 0.30 1 237 THR 1.20 1.60 1 238 LYS -3.30 -1.20 1 239 LEU -0.20 0.10 1 240 GLU -5.10 -1.90 1 242 SER -3.00 -1.30 1 243 ALA 0.20 -0.20 1 244 VAL -3.10 -1.10 1 245 GLU -0.90 0.20 1 246 ILE 1.40 0.10 1 247 THR -1.50 -0.10 1 248 LYS -4.60 -1.60 1 249 LEU 3.30 2.90 1 250 ASP 3.60 3.00 1 251 GLU 1.00 1.90 1 252 ILE 4.80 3.70 1 254 ASN 3.30 2.70 1 255 ALA 2.80 1.30 1 256 LEU -0.10 -0.90 1 257 LYS 2.20 2.90 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4076_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 6.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.12 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -2.70 _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 146 LEU -0.70 -1.70 0 23 LYS -0.30 3.10 0 253 LYS 6.50 -1.50 0 54 ASN 0.30 -2.50 0 10 GLU 2.00 -0.50 1 11 LYS 1.70 -0.50 1 12 ASN -0.80 0.40 1 13 SER -3.80 3.50 1 14 VAL -2.70 1.60 1 15 SER -1.50 0.50 1 16 VAL -1.60 1.50 1 17 ASP 0.40 0.70 1 18 LEU -3.70 2.40 1 21 GLU 3.70 -3.20 1 22 MET -4.50 3.50 1 24 VAL -6.10 2.90 1 25 LEU -1.90 0.40 1 26 VAL -4.20 1.40 1 27 SER 1.20 0.30 1 28 LYS 2.20 0.50 1 29 GLU -5.60 2.70 1 30 LYS -0.90 1.10 1 31 ASN -2.00 0.00 1 32 LYS 4.00 -1.40 1 33 ASP -0.40 0.70 1 35 LYS -5.30 2.90 1 36 TYR 1.60 -0.20 1 37 ASP -1.90 2.80 1 38 LEU -5.30 3.90 1 39 ILE -4.80 3.80 1 40 ALA -5.80 4.50 1 41 THR -0.30 0.00 1 42 VAL -2.60 1.60 1 43 ASP 3.40 -1.60 1 44 LYS 4.10 -2.40 1 45 LEU -2.80 1.80 1 46 GLU -1.40 1.00 1 47 LEU -3.50 2.00 1 48 LYS -5.30 4.20 1 50 THR -5.30 3.30 1 51 SER -3.30 1.60 1 52 ASP 1.50 0.00 1 53 LYS -3.40 2.30 1 55 ASN 0.60 -0.80 1 57 SER -3.10 2.20 1 59 VAL -2.60 1.70 1 60 LEU -4.30 4.10 1 61 GLU -7.60 6.00 1 63 VAL -3.20 2.10 1 64 LYS -1.40 1.60 1 65 ALA 3.60 -1.00 1 66 ASP 0.60 -1.50 1 67 LYS 6.50 -3.50 1 68 SER 3.20 -0.70 1 69 LYS -2.60 2.00 1 70 VAL -2.60 1.60 1 71 LYS -5.60 4.70 1 72 LEU -5.80 3.70 1 73 THR 0.70 0.10 1 74 ILE -1.50 1.60 1 75 SER 0.90 0.50 1 76 ASP 3.40 0.10 1 77 ASP -1.10 -0.80 1 78 LEU 4.70 -3.30 1 80 GLN -5.30 4.50 1 81 THR -4.20 1.40 1 82 THR -1.00 1.30 1 83 LEU -3.90 2.40 1 84 GLU -6.80 5.30 1 85 VAL -1.40 0.50 1 86 PHE -5.50 4.20 1 87 LYS -0.40 0.70 1 88 GLU 2.40 -0.30 1 89 ASP 1.50 -1.10 1 91 LYS -2.10 2.80 1 92 THR 3.80 -2.10 1 93 LEU 0.50 0.60 1 94 VAL 1.00 0.80 1 95 SER -4.50 3.70 1 96 LYS -4.80 4.40 1 97 LYS -4.30 3.30 1 98 VAL -2.20 1.20 1 99 THR 0.10 0.20 1 100 SER -2.10 1.00 1 101 LYS 3.00 -0.30 1 102 ASP 1.30 -1.50 1 103 LYS 6.60 -3.30 1 104 SER -3.30 3.70 1 105 SER -4.50 3.70 1 106 THR -1.60 1.60 1 107 GLU -5.40 3.60 1 108 GLU -7.00 5.20 1 109 LYS -3.20 1.90 1 110 PHE -3.50 2.90 1 111 ASN -2.30 0.00 1 112 GLU 3.70 -1.00 1 113 LYS -0.10 -0.40 1 115 GLU -3.20 0.80 1 116 VAL 2.60 -1.20 1 117 SER -1.60 1.70 1 118 GLU -5.50 4.30 1 119 LYS -4.50 3.80 1 120 ILE -2.70 1.80 1 121 ILE -1.70 1.50 1 122 THR 1.30 -0.70 1 123 ARG 0.20 -0.10 1 124 ALA 2.90 -0.50 1 125 ASP -0.40 -0.60 1 127 THR 0.30 0.80 1 128 ARG -6.70 5.30 1 129 LEU -4.20 2.90 1 130 GLU -4.20 2.20 1 131 TYR -4.30 1.30 1 132 THR -4.70 2.50 1 134 ILE 2.70 -1.20 1 135 LYS -3.20 2.00 1 136 SER 4.10 -0.80 1 137 ASP 0.50 -1.40 1 139 SER -2.90 1.60 1 141 LYS -0.60 0.50 1 142 ALA -9.00 6.50 1 143 LYS -4.40 3.60 1 144 GLU -4.80 2.80 1 145 VAL 2.10 -1.20 1 147 LYS 4.00 -2.70 1 149 TYR -2.50 0.50 1 150 VAL -4.90 2.40 1 151 LEU -5.40 3.00 1 152 GLU -5.40 4.30 1 154 THR -3.80 3.00 1 155 LEU -3.80 2.80 1 156 THR -4.60 3.00 1 157 ALA 2.80 -1.00 1 158 GLU -0.40 1.50 1 159 LYS -1.70 1.50 1 160 THR -0.20 0.70 1 161 THR -1.10 1.50 1 162 LEU -1.40 -0.10 1 163 VAL -4.30 3.30 1 164 VAL -2.60 2.10 1 165 LYS -4.40 2.80 1 166 GLU -3.30 2.20 1 168 THR 3.30 -2.10 1 169 VAL 0.20 0.20 1 170 THR -0.70 1.10 1 171 LEU -3.70 2.60 1 172 SER -2.00 0.40 1 173 LYS -3.00 1.60 1 174 ASN -3.60 2.20 1 175 ILE -2.90 2.10 1 176 SER -1.40 1.20 1 177 LYS 4.40 -1.30 1 178 SER -0.20 -0.20 1 180 GLU -0.40 0.70 1 181 VAL -1.40 0.70 1 182 SER -2.40 1.30 1 183 VAL -3.30 0.80 1 184 GLU -7.20 4.40 1 185 LEU -5.60 4.60 1 186 ASN -4.30 4.20 1 187 ASP -5.70 3.90 1 188 THR 2.00 -1.20 1 189 ASP 0.90 0.10 1 190 SER -0.30 0.60 1 191 SER -0.60 -0.30 1 192 ALA 2.80 -0.60 1 193 ALA 1.30 0.30 1 194 THR -0.40 -0.20 1 195 LYS 1.00 0.20 1 196 LYS 0.00 0.80 1 197 THR -3.70 2.10 1 198 ALA -7.90 6.60 1 199 ALA -4.90 3.20 1 200 TRP -5.00 2.70 1 201 ASN -2.70 0.60 1 202 SER 3.00 -0.50 1 204 THR -1.30 -0.30 1 205 SER 2.10 -1.20 1 206 THR -2.10 2.00 1 207 LEU -5.30 3.40 1 208 THR -0.80 1.60 1 209 ILE 0.40 0.40 1 210 THR -2.00 1.70 1 211 VAL -2.90 2.50 1 212 ASN 2.50 -2.00 1 213 SER 3.60 -1.20 1 214 LYS -3.30 1.80 1 215 LYS 4.00 -2.40 1 216 THR 1.50 -0.50 1 217 LYS -3.80 3.60 1 218 ASP -3.30 2.30 1 219 LEU -3.30 2.20 1 220 VAL 0.30 -0.80 1 221 PHE 0.60 -1.50 1 222 THR -1.40 1.60 1 223 LYS 2.90 -1.40 1 224 GLU 1.20 -1.50 1 225 ASN 4.90 -2.30 1 226 THR -5.50 2.60 1 227 ILE -3.80 2.50 1 228 THR -4.60 1.70 1 229 VAL -5.40 2.70 1 230 GLN -2.30 2.20 1 231 GLN -2.00 1.70 1 232 TYR -2.30 2.70 1 233 ASP -0.90 0.30 1 234 SER 4.00 -0.70 1 235 ASN -0.30 0.60 1 237 THR 1.20 0.40 1 238 LYS -3.30 2.10 1 239 LEU -0.20 0.30 1 240 GLU -5.10 3.20 1 242 SER -3.00 1.70 1 243 ALA 0.20 -0.40 1 244 VAL -3.10 2.00 1 245 GLU -0.90 1.10 1 246 ILE 1.40 -1.30 1 247 THR -1.50 1.40 1 248 LYS -4.60 3.00 1 249 LEU 3.30 -0.40 1 250 ASP 3.60 -0.60 1 251 GLU 1.00 0.90 1 252 ILE 4.80 -1.10 1 254 ASN 3.30 -0.60 1 255 ALA 2.80 -1.50 1 256 LEU -0.10 -0.80 1 257 LYS 2.20 0.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4076_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 1.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.41 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 84 GLU -6.80 -0.09 0 10 GLU 2.00 -0.14 1 11 LYS 1.70 0.01 1 12 ASN -0.80 0.20 1 13 SER -3.80 0.74 1 14 VAL -2.70 0.21 1 15 SER -1.50 0.67 1 16 VAL -1.60 0.03 1 17 ASP 0.40 0.12 1 21 GLU 3.70 -0.31 1 22 MET -4.50 0.28 1 23 LYS -0.30 0.91 1 24 VAL -6.10 0.75 1 25 LEU -1.90 0.83 1 26 VAL -4.20 0.80 1 28 LYS 2.20 -0.15 1 29 GLU -5.60 0.40 1 30 LYS -0.90 -0.79 1 31 ASN -2.00 -0.15 1 32 LYS 4.00 -0.24 1 33 ASP -0.40 0.14 1 35 LYS -5.30 0.22 1 36 TYR 1.60 -0.27 1 37 ASP -1.90 0.41 1 38 LEU -5.30 1.29 1 39 ILE -4.80 0.97 1 40 ALA -5.80 0.57 1 41 THR -0.30 0.87 1 42 VAL -2.60 0.10 1 43 ASP 3.40 -0.47 1 44 LYS 4.10 -0.59 1 45 LEU -2.80 0.19 1 46 GLU -1.40 0.31 1 47 LEU -3.50 0.31 1 48 LYS -5.30 1.25 1 50 THR -5.30 1.42 1 51 SER -3.30 0.51 1 52 ASP 1.50 0.25 1 53 LYS -3.40 0.33 1 54 ASN 0.30 -0.62 1 55 ASN 0.60 -0.26 1 57 SER -3.10 -0.50 1 59 VAL -2.60 1.03 1 60 LEU -4.30 0.54 1 61 GLU -7.60 1.40 1 63 VAL -3.20 0.88 1 64 LYS -1.40 0.09 1 65 ALA 3.60 -0.16 1 66 ASP 0.60 -0.14 1 67 LYS 6.50 -0.65 1 68 SER 3.20 -0.25 1 69 LYS -2.60 0.63 1 70 VAL -2.60 0.98 1 71 LYS -5.60 1.01 1 72 LEU -5.80 1.17 1 73 THR 0.70 0.61 1 74 ILE -1.50 0.39 1 75 SER 0.90 -0.05 1 76 ASP 3.40 -0.26 1 77 ASP -1.10 -0.15 1 78 LEU 4.70 -0.80 1 80 GLN -5.30 1.03 1 81 THR -4.20 0.82 1 82 THR -1.00 0.74 1 83 LEU -3.90 1.00 1 85 VAL -1.40 0.70 1 86 PHE -5.50 0.72 1 87 LYS -0.40 0.15 1 88 GLU 2.40 -0.17 1 89 ASP 1.50 -0.36 1 91 LYS -2.10 -0.04 1 92 THR 3.80 -0.15 1 93 LEU 0.50 -0.51 1 94 VAL 1.00 0.11 1 95 SER -4.50 0.95 1 96 LYS -4.80 0.93 1 97 LYS -4.30 1.28 1 98 VAL -2.20 1.10 1 99 THR 0.10 0.50 1 100 SER -2.10 0.90 1 101 LYS 3.00 -0.27 1 102 ASP 1.30 -0.20 1 103 LYS 6.60 -0.55 1 104 SER -3.30 -0.08 1 105 SER -4.50 1.14 1 106 THR -1.60 0.84 1 107 GLU -5.40 1.03 1 108 GLU -7.00 0.61 1 109 LYS -3.20 0.53 1 110 PHE -3.50 0.52 1 111 ASN -2.30 0.23 1 112 GLU 3.70 -0.17 1 113 LYS -0.10 0.13 1 115 GLU -3.20 0.21 1 116 VAL 2.60 -0.61 1 117 SER -1.60 0.24 1 118 GLU -5.50 0.57 1 119 LYS -4.50 1.05 1 120 ILE -2.70 0.77 1 121 ILE -1.70 0.61 1 122 THR 1.30 0.38 1 123 ARG 0.20 0.08 1 124 ALA 2.90 -0.42 1 125 ASP -0.40 -0.17 1 127 THR 0.30 0.07 1 128 ARG -6.70 1.42 1 129 LEU -4.20 0.59 1 130 GLU -4.20 0.45 1 131 TYR -4.30 1.45 1 132 THR -4.70 0.66 1 134 ILE 2.70 0.23 1 136 SER 4.10 -0.34 1 137 ASP 0.50 -0.36 1 139 SER -2.90 0.41 1 141 LYS -0.60 0.43 1 142 ALA -9.00 1.27 1 143 LYS -4.40 0.75 1 144 GLU -4.80 0.82 1 145 VAL 2.10 -0.14 1 146 LEU -0.70 0.20 1 147 LYS 4.00 -0.13 1 149 TYR -2.50 0.31 1 150 VAL -4.90 0.91 1 151 LEU -5.40 0.71 1 152 GLU -5.40 0.76 1 154 THR -3.80 0.62 1 155 LEU -3.80 0.60 1 156 THR -4.60 0.11 1 157 ALA 2.80 -0.31 1 158 GLU -0.40 -0.14 1 159 LYS -1.70 0.39 1 160 THR -0.20 0.62 1 161 THR -1.10 0.71 1 162 LEU -1.40 0.35 1 163 VAL -4.30 1.20 1 164 VAL -2.60 0.21 1 165 LYS -4.40 0.94 1 166 GLU -3.30 0.24 1 168 THR 3.30 0.61 1 169 VAL 0.20 0.58 1 170 THR -0.70 0.45 1 171 LEU -3.70 0.59 1 172 SER -2.00 0.89 1 173 LYS -3.00 -0.02 1 174 ASN -3.60 0.95 1 175 ILE -2.90 0.51 1 176 SER -1.40 0.13 1 177 LYS 4.40 -0.23 1 178 SER -0.20 0.03 1 180 GLU -0.40 -0.06 1 181 VAL -1.40 0.91 1 183 VAL -3.30 0.47 1 184 GLU -7.20 0.20 1 185 LEU -5.60 0.91 1 186 ASN -4.30 0.37 1 187 ASP -5.70 0.96 1 188 THR 2.00 0.24 1 189 ASP 0.90 -0.35 1 190 SER -0.30 -0.05 1 191 SER -0.60 0.03 1 192 ALA 2.80 -0.32 1 193 ALA 1.30 -0.25 1 194 THR -0.40 -0.05 1 195 LYS 1.00 -0.17 1 196 LYS 0.00 0.51 1 197 THR -3.70 0.22 1 198 ALA -7.90 1.30 1 199 ALA -4.90 0.57 1 200 TRP -5.00 0.78 1 201 ASN -2.70 0.02 1 202 SER 3.00 -0.41 1 204 THR -1.30 0.04 1 205 SER 2.10 0.08 1 206 THR -2.10 0.78 1 207 LEU -5.30 1.19 1 208 THR -0.80 1.25 1 209 ILE 0.40 0.50 1 210 THR -2.00 0.65 1 211 VAL -2.90 0.17 1 212 ASN 2.50 -0.41 1 213 SER 3.60 -0.26 1 214 LYS -3.30 0.30 1 215 LYS 4.00 -0.15 1 216 THR 1.50 0.36 1 217 LYS -3.80 1.14 1 218 ASP -3.30 1.21 1 219 LEU -3.30 1.29 1 220 VAL 0.30 0.60 1 221 PHE 0.60 0.29 1 222 THR -1.40 0.31 1 223 LYS 2.90 -0.03 1 224 GLU 1.20 0.13 1 225 ASN 4.90 -0.31 1 226 THR -5.50 0.30 1 227 ILE -3.80 1.09 1 228 THR -4.60 1.07 1 229 VAL -5.40 1.19 1 230 GLN -2.30 0.27 1 231 GLN -2.00 0.60 1 232 TYR -2.30 0.33 1 233 ASP -0.90 -0.04 1 234 SER 4.00 -0.31 1 235 ASN -0.30 0.09 1 237 THR 1.20 0.13 1 238 LYS -3.30 0.34 1 239 LEU -0.20 -0.44 1 240 GLU -5.10 0.26 1 242 SER -3.00 0.23 1 243 ALA 0.20 0.11 1 244 VAL -3.10 0.20 1 245 GLU -0.90 0.05 1 246 ILE 1.40 -0.11 1 247 THR -1.50 0.51 1 248 LYS -4.60 0.42 1 249 LEU 3.30 -0.73 1 250 ASP 3.60 -0.43 1 251 GLU 1.00 -0.24 1 252 ILE 4.80 -0.50 1 253 LYS 6.50 -0.75 1 254 ASN 3.30 -0.47 1 255 ALA 2.80 -0.14 1 256 LEU -0.10 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4076_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 -2.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 0.71 _LACS_plot.Y_axis_chem_shift_offset 0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 LYS -3.20 3.01 0 10 GLU 2.00 0.54 1 11 LYS 1.70 1.03 1 12 ASN -0.80 -0.16 1 13 SER -3.80 -2.43 1 14 VAL -2.70 -1.78 1 15 SER -1.50 -0.15 1 16 VAL -1.60 -1.33 1 17 ASP 0.40 -0.93 1 21 GLU 3.70 -1.27 1 22 MET -4.50 -2.08 1 23 LYS -0.30 -1.73 1 24 VAL -6.10 -4.32 1 25 LEU -1.90 -1.76 1 26 VAL -4.20 0.10 1 27 SER 1.20 -0.69 1 28 LYS 2.20 0.75 1 29 GLU -5.60 0.01 1 30 LYS -0.90 0.07 1 31 ASN -2.00 2.83 1 32 LYS 4.00 0.30 1 33 ASP -0.40 -0.01 1 35 LYS -5.30 -2.76 1 36 TYR 1.60 -0.17 1 37 ASP -1.90 -1.73 1 38 LEU -5.30 -0.31 1 39 ILE -4.80 -2.70 1 40 ALA -5.80 -2.27 1 41 THR -0.30 -0.26 1 42 VAL -2.60 -1.02 1 43 ASP 3.40 -1.24 1 44 LYS 4.10 -1.64 1 45 LEU -2.80 -2.73 1 46 GLU -1.40 -1.52 1 47 LEU -3.50 -2.22 1 48 LYS -5.30 0.31 1 50 THR -5.30 -0.68 1 51 SER -3.30 -0.98 1 52 ASP 1.50 -0.19 1 53 LYS -3.40 -0.56 1 54 ASN 0.30 -0.73 1 55 ASN 0.60 -1.36 1 57 SER -3.10 -0.43 1 59 VAL -2.60 -1.07 1 60 LEU -4.30 -2.38 1 61 GLU -7.60 -0.14 1 63 VAL -3.20 -0.83 1 64 LYS -1.40 2.17 1 65 ALA 3.60 0.23 1 66 ASP 0.60 0.14 1 67 LYS 6.50 -0.94 1 68 SER 3.20 -1.81 1 69 LYS -2.60 -1.90 1 70 VAL -2.60 -1.82 1 71 LYS -5.60 -2.54 1 72 LEU -5.80 -3.56 1 73 THR 0.70 -0.46 1 74 ILE -1.50 0.13 1 75 SER 0.90 0.23 1 76 ASP 3.40 -0.05 1 77 ASP -1.10 0.60 1 78 LEU 4.70 -1.43 1 80 GLN -5.30 -1.26 1 81 THR -4.20 -1.14 1 82 THR -1.00 -2.24 1 83 LEU -3.90 -1.75 1 84 GLU -6.80 -3.10 1 85 VAL -1.40 -1.87 1 86 PHE -5.50 1.01 1 87 LYS -0.40 0.05 1 88 GLU 2.40 -0.47 1 89 ASP 1.50 1.31 1 91 LYS -2.10 -0.79 1 92 THR 3.80 -0.93 1 93 LEU 0.50 -1.37 1 94 VAL 1.00 0.67 1 95 SER -4.50 -0.39 1 96 LYS -4.80 -2.38 1 97 LYS -4.30 -1.37 1 98 VAL -2.20 -0.44 1 99 THR 0.10 -1.51 1 100 SER -2.10 1.99 1 101 LYS 3.00 -0.84 1 102 ASP 1.30 -0.96 1 103 LYS 6.60 -0.32 1 104 SER -3.30 -1.37 1 105 SER -4.50 -0.39 1 106 THR -1.60 -1.73 1 107 GLU -5.40 -2.13 1 108 GLU -7.00 -2.03 1 109 LYS -3.20 -1.57 1 110 PHE -3.50 0.73 1 111 ASN -2.30 2.56 1 112 GLU 3.70 0.33 1 113 LYS -0.10 0.30 1 115 GLU -3.20 -0.31 1 116 VAL 2.60 -1.31 1 117 SER -1.60 -0.32 1 118 GLU -5.50 -2.77 1 119 LYS -4.50 -3.26 1 120 ILE -2.70 -0.13 1 121 ILE -1.70 -1.26 1 122 THR 1.30 0.18 1 123 ARG 0.20 1.75 1 124 ALA 2.90 -0.22 1 125 ASP -0.40 1.07 1 127 THR 0.30 -1.30 1 128 ARG -6.70 -1.47 1 129 LEU -4.20 -2.87 1 130 GLU -4.20 -1.35 1 131 TYR -4.30 -0.16 1 132 THR -4.70 -1.02 1 134 ILE 2.70 1.17 1 136 SER 4.10 -0.08 1 137 ASP 0.50 1.08 1 139 SER -2.90 -1.24 1 141 LYS -0.60 -1.71 1 142 ALA -9.00 -1.98 1 143 LYS -4.40 -3.01 1 144 GLU -4.80 -2.23 1 145 VAL 2.10 -1.39 1 146 LEU -0.70 -1.63 1 147 LYS 4.00 -0.26 1 149 TYR -2.50 -4.48 1 150 VAL -4.90 -1.18 1 151 LEU -5.40 -1.56 1 152 GLU -5.40 -0.26 1 154 THR -3.80 -3.17 1 155 LEU -3.80 -1.95 1 156 THR -4.60 -1.01 1 157 ALA 2.80 0.49 1 158 GLU -0.40 -0.50 1 159 LYS -1.70 -2.24 1 160 THR -0.20 -1.32 1 161 THR -1.10 -2.05 1 162 LEU -1.40 -1.97 1 163 VAL -4.30 -0.67 1 164 VAL -2.60 -2.95 1 165 LYS -4.40 -1.10 1 166 GLU -3.30 -0.70 1 168 THR 3.30 -0.21 1 169 VAL 0.20 -0.85 1 170 THR -0.70 -1.44 1 171 LEU -3.70 -3.44 1 172 SER -2.00 -2.89 1 173 LYS -3.00 -3.12 1 174 ASN -3.60 -0.80 1 175 ILE -2.90 1.03 1 176 SER -1.40 1.52 1 177 LYS 4.40 0.60 1 178 SER -0.20 0.39 1 180 GLU -0.40 -0.06 1 181 VAL -1.40 -0.50 1 182 SER -2.40 -3.44 1 183 VAL -3.30 -3.21 1 184 GLU -7.20 -3.29 1 185 LEU -5.60 -2.81 1 186 ASN -4.30 -2.99 1 187 ASP -5.70 1.09 1 188 THR 2.00 0.84 1 189 ASP 0.90 0.04 1 190 SER -0.30 1.11 1 191 SER -0.60 0.47 1 192 ALA 2.80 1.21 1 193 ALA 1.30 0.07 1 194 THR -0.40 -0.20 1 195 LYS 1.00 -0.32 1 196 LYS 0.00 -0.33 1 197 THR -3.70 -1.86 1 198 ALA -7.90 -2.34 1 199 ALA -4.90 -2.27 1 200 TRP -5.00 -1.56 1 201 ASN -2.70 -0.43 1 202 SER 3.00 2.09 1 204 THR -1.30 0.93 1 205 SER 2.10 -2.37 1 206 THR -2.10 -1.98 1 207 LEU -5.30 -2.29 1 208 THR -0.80 0.70 1 209 ILE 0.40 -2.19 1 210 THR -2.00 -1.61 1 211 VAL -2.90 0.82 1 212 ASN 2.50 -0.12 1 213 SER 3.60 -1.82 1 214 LYS -3.30 -1.68 1 215 LYS 4.00 0.11 1 216 THR 1.50 2.18 1 217 LYS -3.80 -3.13 1 218 ASP -3.30 0.12 1 219 LEU -3.30 -2.44 1 220 VAL 0.30 -1.55 1 221 PHE 0.60 0.89 1 222 THR -1.40 2.87 1 223 LYS 2.90 0.31 1 224 GLU 1.20 -2.45 1 225 ASN 4.90 -1.00 1 226 THR -5.50 -1.46 1 227 ILE -3.80 -0.49 1 228 THR -4.60 -1.48 1 229 VAL -5.40 -2.46 1 230 GLN -2.30 -2.51 1 231 GLN -2.00 -0.75 1 233 ASP -0.90 1.11 1 234 SER 4.00 0.49 1 235 ASN -0.30 0.69 1 237 THR 1.20 -0.06 1 238 LYS -3.30 -2.16 1 239 LEU -0.20 -0.55 1 240 GLU -5.10 1.11 1 242 SER -3.00 -1.46 1 243 ALA 0.20 -0.38 1 244 VAL -3.10 -1.20 1 245 GLU -0.90 -0.31 1 246 ILE 1.40 0.72 1 247 THR -1.50 -1.45 1 248 LYS -4.60 -0.17 1 249 LEU 3.30 1.83 1 250 ASP 3.60 1.77 1 251 GLU 1.00 3.02 1 252 ILE 4.80 0.56 1 253 LYS 6.50 2.34 1 254 ASN 3.30 2.45 1 255 ALA 2.80 -0.61 1 256 LEU -0.10 -1.95 1 stop_ save_