data_nef_c25221_2mum save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MUM stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 28 HIS NE2 2 1 ZN ZN 1 4 CYS SG 2 1 ZN ZN 1 44 CYS SG 2 2 ZN ZN 1 17 CYS SG 2 2 ZN ZN 1 47 CYS SG 2 2 ZN ZN 1 31 CYS SG 2 1 ZN ZN 1 22 CYS SG 2 2 ZN ZN 1 6 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 222 THR start . . 2 A 223 LEU middle . . 3 A 224 TYR middle . . 4 A 225 CYS middle -HG . 5 A 226 PHE middle . . 6 A 227 CYS middle -HG . 7 A 228 GLN middle . . 8 A 229 ARG middle . . 9 A 230 VAL middle . . 10 A 231 SER middle . . 11 A 232 PHE middle . . 12 A 233 GLY middle . false 13 A 234 GLU middle . . 14 A 235 MET middle . . 15 A 236 VAL middle . . 16 A 237 ALA middle . . 17 A 238 CYS middle -HG . 18 A 239 ASP middle . . 19 A 240 GLY middle . false 20 A 241 PRO middle . false 21 A 242 ASN middle . . 22 A 243 CYS middle -HG . 23 A 244 LYS middle . . 24 A 245 TYR middle . . 25 A 246 GLU middle . . 26 A 247 TRP middle . . 27 A 248 PHE middle . . 28 A 249 HIS middle -HE2 . 29 A 250 TYR middle . . 30 A 251 ASP middle . . 31 A 252 CYS middle -HG . 32 A 253 VAL middle . . 33 A 254 ASN middle . . 34 A 255 LEU middle . . 35 A 256 LYS middle . . 36 A 257 GLU middle . . 37 A 258 PRO middle . false 38 A 259 PRO middle . false 39 A 260 LYS middle . . 40 A 261 GLY middle . false 41 A 262 THR middle . . 42 A 263 TRP middle . . 43 A 264 TYR middle . . 44 A 265 CYS middle -HG . 45 A 266 PRO middle . false 46 A 267 GLU middle . . 47 A 268 CYS middle -HG . 48 A 269 LYS middle . . 49 A 270 ILE middle . . 50 A 271 GLU end . . 51 B 1 ZN . . . 52 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 222 THR HA H 1 3.907 0.04 A 222 THR HB H 1 3.744 0.04 A 222 THR HG2% H 1 0.781 0.04 A 222 THR CA C 13 63.110 0.40 A 222 THR CB C 13 69.516 0.40 A 222 THR CG2 C 13 21.694 0.40 A 223 LEU H H 1 7.948 0.04 A 223 LEU HA H 1 4.037 0.04 A 223 LEU HBy H 1 1.509 0.04 A 223 LEU HBx H 1 0.574 0.04 A 223 LEU HDx% H 1 0.773 0.04 A 223 LEU HDy% H 1 0.580 0.04 A 223 LEU HG H 1 1.494 0.04 A 223 LEU C C 13 175.379 0.40 A 223 LEU CA C 13 53.419 0.40 A 223 LEU CB C 13 42.760 0.40 A 223 LEU CDy C 13 25.037 0.40 A 223 LEU CDx C 13 21.878 0.40 A 223 LEU CG C 13 26.185 0.40 A 223 LEU N N 15 123.588 0.40 A 224 TYR H H 1 8.325 0.04 A 224 TYR HA H 1 4.859 0.04 A 224 TYR HBy H 1 3.056 0.04 A 224 TYR HBx H 1 1.973 0.04 A 224 TYR HDx H 1 7.069 0.04 A 224 TYR HDy H 1 7.069 0.04 A 224 TYR HEx H 1 6.685 0.04 A 224 TYR HEy H 1 6.685 0.04 A 224 TYR C C 13 174.240 0.40 A 224 TYR CA C 13 57.122 0.40 A 224 TYR CB C 13 42.671 0.40 A 224 TYR CDy C 13 133.100 0.40 A 224 TYR CEy C 13 118.173 0.40 A 224 TYR N N 15 120.500 0.40 A 225 CYS H H 1 7.140 0.04 A 225 CYS HA H 1 3.217 0.04 A 225 CYS HBx H 1 2.270 0.04 A 225 CYS HBy H 1 4.513 0.04 A 225 CYS C C 13 174.113 0.40 A 225 CYS CA C 13 60.082 0.40 A 225 CYS CB C 13 29.992 0.40 A 225 CYS N N 15 115.156 0.40 A 226 PHE H H 1 8.041 0.04 A 226 PHE HA H 1 3.771 0.04 A 226 PHE HBx H 1 3.103 0.04 A 226 PHE HBy H 1 3.103 0.04 A 226 PHE HDx H 1 7.219 0.04 A 226 PHE HDy H 1 7.219 0.04 A 226 PHE HEx H 1 7.104 0.04 A 226 PHE HEy H 1 7.104 0.04 A 226 PHE HZ H 1 7.380 0.04 A 226 PHE C C 13 178.315 0.40 A 226 PHE CA C 13 59.592 0.40 A 226 PHE CB C 13 38.649 0.40 A 226 PHE CDy C 13 131.738 0.40 A 226 PHE CEy C 13 130.104 0.40 A 226 PHE CZ C 13 131.793 0.40 A 226 PHE N N 15 125.237 0.40 A 227 CYS H H 1 7.298 0.04 A 227 CYS HA H 1 4.493 0.04 A 227 CYS HBy H 1 3.153 0.04 A 227 CYS HBx H 1 2.892 0.04 A 227 CYS C C 13 174.749 0.40 A 227 CYS CA C 13 59.028 0.40 A 227 CYS CB C 13 29.453 0.40 A 227 CYS N N 15 117.426 0.40 A 228 GLN H H 1 7.641 0.04 A 228 GLN HA H 1 3.901 0.04 A 228 GLN HBy H 1 2.221 0.04 A 228 GLN HBx H 1 1.962 0.04 A 228 GLN HE2x H 1 7.052 0.04 A 228 GLN HE2y H 1 7.847 0.04 A 228 GLN HGx H 1 2.224 0.04 A 228 GLN HGy H 1 2.224 0.04 A 228 GLN C C 13 173.816 0.40 A 228 GLN CA C 13 55.861 0.40 A 228 GLN CB C 13 27.155 0.40 A 228 GLN CG C 13 34.126 0.40 A 228 GLN N N 15 119.767 0.40 A 228 GLN NE2 N 15 115.788 0.40 A 229 ARG H H 1 7.989 0.04 A 229 ARG HA H 1 4.874 0.04 A 229 ARG HBx H 1 2.073 0.04 A 229 ARG HBy H 1 2.073 0.04 A 229 ARG HDy H 1 3.295 0.04 A 229 ARG HDx H 1 3.076 0.04 A 229 ARG HGy H 1 1.867 0.04 A 229 ARG HGx H 1 1.761 0.04 A 229 ARG C C 13 176.249 0.40 A 229 ARG CA C 13 55.006 0.40 A 229 ARG CB C 13 36.452 0.40 A 229 ARG CD C 13 44.218 0.40 A 229 ARG CG C 13 27.084 0.40 A 229 ARG N N 15 118.142 0.40 A 230 VAL H H 1 7.898 0.04 A 230 VAL HA H 1 4.540 0.04 A 230 VAL HB H 1 2.537 0.04 A 230 VAL HGx% H 1 1.008 0.04 A 230 VAL HGy% H 1 0.947 0.04 A 230 VAL C C 13 176.016 0.40 A 230 VAL CA C 13 61.340 0.40 A 230 VAL CB C 13 32.878 0.40 A 230 VAL CGy C 13 21.769 0.40 A 230 VAL CGx C 13 17.756 0.40 A 230 VAL N N 15 112.689 0.40 A 231 SER H H 1 8.652 0.04 A 231 SER HA H 1 4.001 0.04 A 231 SER HBx H 1 3.555 0.04 A 231 SER HBy H 1 3.555 0.04 A 231 SER C C 13 174.254 0.40 A 231 SER CA C 13 59.148 0.40 A 231 SER CB C 13 63.231 0.40 A 231 SER N N 15 114.642 0.40 A 232 PHE H H 1 7.301 0.04 A 232 PHE HA H 1 4.607 0.04 A 232 PHE HBy H 1 3.212 0.04 A 232 PHE HBx H 1 2.933 0.04 A 232 PHE HDx H 1 6.993 0.04 A 232 PHE HDy H 1 6.993 0.04 A 232 PHE HEx H 1 6.730 0.04 A 232 PHE HEy H 1 6.730 0.04 A 232 PHE HZ H 1 6.846 0.04 A 232 PHE C C 13 174.431 0.40 A 232 PHE CA C 13 57.609 0.40 A 232 PHE CB C 13 39.959 0.40 A 232 PHE CDy C 13 132.745 0.40 A 232 PHE CEy C 13 129.188 0.40 A 232 PHE CZ C 13 130.431 0.40 A 232 PHE N N 15 119.930 0.40 A 233 GLY H H 1 8.615 0.04 A 233 GLY HAy H 1 3.842 0.04 A 233 GLY HAx H 1 3.740 0.04 A 233 GLY C C 13 173.193 0.40 A 233 GLY CA C 13 45.619 0.40 A 233 GLY N N 15 108.767 0.40 A 234 GLU H H 1 8.209 0.04 A 234 GLU HA H 1 3.964 0.04 A 234 GLU HBy H 1 0.812 0.04 A 234 GLU HBx H 1 0.413 0.04 A 234 GLU HGy H 1 1.859 0.04 A 234 GLU HGx H 1 1.802 0.04 A 234 GLU C C 13 176.178 0.40 A 234 GLU CA C 13 56.180 0.40 A 234 GLU CB C 13 27.966 0.40 A 234 GLU CG C 13 36.073 0.40 A 234 GLU N N 15 121.866 0.40 A 235 MET H H 1 8.216 0.04 A 235 MET HA H 1 5.404 0.04 A 235 MET HBy H 1 1.741 0.04 A 235 MET HBx H 1 1.568 0.04 A 235 MET HGy H 1 2.135 0.04 A 235 MET HGx H 1 1.960 0.04 A 235 MET C C 13 174.696 0.40 A 235 MET CA C 13 53.308 0.40 A 235 MET CB C 13 35.941 0.40 A 235 MET CG C 13 31.553 0.40 A 235 MET N N 15 122.508 0.40 A 236 VAL HA H 1 4.664 0.04 A 236 VAL HB H 1 1.466 0.04 A 236 VAL HGx% H 1 0.257 0.04 A 236 VAL HGy% H 1 -0.157 0.04 A 236 VAL CA C 13 58.706 0.40 A 236 VAL CB C 13 35.196 0.40 A 236 VAL CGy C 13 20.950 0.40 A 236 VAL CGx C 13 17.995 0.40 A 237 ALA H H 1 7.980 0.04 A 237 ALA HA H 1 4.482 0.04 A 237 ALA HB% H 1 0.107 0.04 A 237 ALA C C 13 176.645 0.40 A 237 ALA CA C 13 49.899 0.40 A 237 ALA CB C 13 17.978 0.40 A 237 ALA N N 15 123.23 0.40 A 238 CYS H H 1 8.236 0.04 A 238 CYS HA H 1 4.704 0.04 A 238 CYS HBy H 1 3.383 0.04 A 238 CYS HBx H 1 3.163 0.04 A 238 CYS C C 13 176.963 0.40 A 238 CYS CA C 13 59.436 0.40 A 238 CYS CB C 13 33.071 0.40 A 238 CYS N N 15 123.507 0.40 A 239 ASP H H 1 8.884 0.04 A 239 ASP HA H 1 4.683 0.04 A 239 ASP HBy H 1 2.500 0.04 A 239 ASP HBx H 1 1.683 0.04 A 239 ASP C C 13 176.136 0.40 A 239 ASP CA C 13 56.231 0.40 A 239 ASP CB C 13 41.347 0.40 A 239 ASP N N 15 128.517 0.40 A 240 GLY H H 1 10.294 0.04 A 240 GLY HAy H 1 4.215 0.04 A 240 GLY HAx H 1 4.143 0.04 A 240 GLY CA C 13 43.383 0.40 A 240 GLY N N 15 119.962 0.40 A 241 PRO HA H 1 4.346 0.04 A 241 PRO HBy H 1 2.297 0.04 A 241 PRO HBx H 1 1.893 0.04 A 241 PRO HDx H 1 3.890 0.04 A 241 PRO HDy H 1 3.995 0.04 A 241 PRO HGy H 1 2.048 0.04 A 241 PRO HGx H 1 1.953 0.04 A 241 PRO C C 13 177.128 0.40 A 241 PRO CA C 13 64.238 0.40 A 241 PRO CB C 13 32.150 0.40 A 241 PRO CD C 13 51.144 0.40 A 241 PRO CG C 13 27.258 0.40 A 242 ASN H H 1 8.817 0.04 A 242 ASN HA H 1 4.895 0.04 A 242 ASN HBy H 1 2.839 0.04 A 242 ASN HBx H 1 2.459 0.04 A 242 ASN HD2x H 1 6.801 0.04 A 242 ASN HD2y H 1 7.592 0.04 A 242 ASN C C 13 174.339 0.40 A 242 ASN CA C 13 51.697 0.40 A 242 ASN CB C 13 39.282 0.40 A 242 ASN N N 15 117.169 0.40 A 242 ASN ND2 N 15 113.691 0.40 A 243 CYS H H 1 7.180 0.04 A 243 CYS HA H 1 3.558 0.04 A 243 CYS HBy H 1 3.062 0.04 A 243 CYS HBx H 1 2.598 0.04 A 243 CYS C C 13 177.191 0.40 A 243 CYS CA C 13 63.177 0.40 A 243 CYS CB C 13 30.857 0.40 A 243 CYS N N 15 123.449 0.40 A 244 LYS H H 1 8.599 0.04 A 244 LYS HA H 1 3.892 0.04 A 244 LYS HBx H 1 1.113 0.04 A 244 LYS HBy H 1 1.113 0.04 A 244 LYS HDx H 1 1.504 0.04 A 244 LYS HDy H 1 1.504 0.04 A 244 LYS HEx H 1 2.856 0.04 A 244 LYS HEy H 1 2.856 0.04 A 244 LYS HGy H 1 1.135 0.04 A 244 LYS HGx H 1 0.986 0.04 A 244 LYS C C 13 177.282 0.40 A 244 LYS CA C 13 58.476 0.40 A 244 LYS CB C 13 32.525 0.40 A 244 LYS CD C 13 29.056 0.40 A 244 LYS CE C 13 41.964 0.40 A 244 LYS CG C 13 24.775 0.40 A 244 LYS N N 15 128.071 0.40 A 245 TYR H H 1 8.000 0.04 A 245 TYR HA H 1 4.717 0.04 A 245 TYR HBy H 1 2.504 0.04 A 245 TYR HBx H 1 2.439 0.04 A 245 TYR HDx H 1 7.156 0.04 A 245 TYR HDy H 1 7.156 0.04 A 245 TYR HEx H 1 6.976 0.04 A 245 TYR HEy H 1 6.976 0.04 A 245 TYR C C 13 177.944 0.40 A 245 TYR CA C 13 58.352 0.40 A 245 TYR CB C 13 40.137 0.40 A 245 TYR CDx C 13 133.726 0.40 A 245 TYR CEx C 13 118.007 0.40 A 245 TYR N N 15 118.447 0.40 A 246 GLU H H 1 8.893 0.04 A 246 GLU HA H 1 3.808 0.04 A 246 GLU HBx H 1 2.192 0.04 A 246 GLU HBy H 1 2.549 0.04 A 246 GLU HGy H 1 2.033 0.04 A 246 GLU HGx H 1 1.955 0.04 A 246 GLU C C 13 175.841 0.40 A 246 GLU CA C 13 63.429 0.40 A 246 GLU CB C 13 30.123 0.40 A 246 GLU CG C 13 37.282 0.40 A 246 GLU N N 15 118.160 0.40 A 247 TRP H H 1 8.858 0.04 A 247 TRP HA H 1 5.290 0.04 A 247 TRP HBy H 1 2.499 0.04 A 247 TRP HBx H 1 2.243 0.04 A 247 TRP HD1 H 1 6.858 0.04 A 247 TRP HE1 H 1 9.946 0.04 A 247 TRP HE3 H 1 7.072 0.04 A 247 TRP HH2 H 1 6.840 0.04 A 247 TRP HZ2 H 1 7.331 0.04 A 247 TRP HZ3 H 1 6.863 0.04 A 247 TRP C C 13 174.811 0.40 A 247 TRP CA C 13 55.906 0.40 A 247 TRP CB C 13 32.992 0.40 A 247 TRP CD1 C 13 126.430 0.40 A 247 TRP CE3 C 13 124.438 0.40 A 247 TRP CH2 C 13 122.150 0.40 A 247 TRP CZ2 C 13 114.631 0.40 A 247 TRP CZ3 C 13 119.830 0.40 A 247 TRP N N 15 122.482 0.40 A 247 TRP NE1 N 15 128.779 0.40 A 248 PHE H H 1 9.214 0.04 A 248 PHE HA H 1 4.657 0.04 A 248 PHE HBy H 1 3.043 0.04 A 248 PHE HBx H 1 2.626 0.04 A 248 PHE HDx H 1 7.475 0.04 A 248 PHE HDy H 1 7.475 0.04 A 248 PHE HEx H 1 7.748 0.04 A 248 PHE HEy H 1 7.748 0.04 A 248 PHE C C 13 176.072 0.40 A 248 PHE CA C 13 56.114 0.40 A 248 PHE CB C 13 42.586 0.40 A 248 PHE CDy C 13 132.555 0.40 A 248 PHE CEy C 13 132.167 0.40 A 248 PHE N N 15 116.496 0.40 A 249 HIS H H 1 8.425 0.04 A 249 HIS HA H 1 4.801 0.04 A 249 HIS HBx H 1 3.522 0.04 A 249 HIS HBy H 1 4.010 0.04 A 249 HIS HD2 H 1 6.533 0.04 A 249 HIS HE1 H 1 7.341 0.04 A 249 HIS C C 13 178.067 0.40 A 249 HIS CA C 13 57.861 0.40 A 249 HIS CB C 13 30.169 0.40 A 249 HIS CD2 C 13 118.950 0.40 A 249 HIS CE1 C 13 137.893 0.40 A 249 HIS N N 15 121.988 0.40 A 250 TYR H H 1 8.506 0.04 A 250 TYR HA H 1 3.881 0.04 A 250 TYR HBy H 1 3.217 0.04 A 250 TYR HBx H 1 2.954 0.04 A 250 TYR HDx H 1 6.497 0.04 A 250 TYR HDy H 1 6.497 0.04 A 250 TYR HEx H 1 6.174 0.04 A 250 TYR HEy H 1 6.174 0.04 A 250 TYR C C 13 178.897 0.40 A 250 TYR CA C 13 61.305 0.40 A 250 TYR CB C 13 36.633 0.40 A 250 TYR CDx C 13 130.594 0.40 A 250 TYR CEx C 13 117.531 0.40 A 250 TYR N N 15 125.011 0.40 A 251 ASP H H 1 9.037 0.04 A 251 ASP HA H 1 4.615 0.04 A 251 ASP HBx H 1 2.751 0.04 A 251 ASP HBy H 1 2.751 0.04 A 251 ASP C C 13 179.220 0.40 A 251 ASP CA C 13 57.333 0.40 A 251 ASP CB C 13 40.576 0.40 A 251 ASP N N 15 114.145 0.40 A 252 CYS H H 1 7.340 0.04 A 252 CYS HA H 1 4.220 0.04 A 252 CYS HBy H 1 3.296 0.04 A 252 CYS HBx H 1 3.253 0.04 A 252 CYS C C 13 176.843 0.40 A 252 CYS CA C 13 62.814 0.40 A 252 CYS CB C 13 29.902 0.40 A 252 CYS N N 15 118.455 0.40 A 253 VAL H H 1 7.204 0.04 A 253 VAL HA H 1 4.723 0.04 A 253 VAL HB H 1 2.805 0.04 A 253 VAL HGx% H 1 1.095 0.04 A 253 VAL HGy% H 1 0.733 0.04 A 253 VAL C C 13 174.240 0.40 A 253 VAL CA C 13 60.181 0.40 A 253 VAL CB C 13 31.314 0.40 A 253 VAL CGy C 13 22.990 0.40 A 253 VAL CGx C 13 18.044 0.40 A 253 VAL N N 15 106.597 0.40 A 254 ASN H H 1 7.689 0.04 A 254 ASN HA H 1 4.378 0.04 A 254 ASN HBy H 1 3.094 0.04 A 254 ASN HBx H 1 2.719 0.04 A 254 ASN HD2x H 1 6.793 0.04 A 254 ASN HD2y H 1 7.508 0.04 A 254 ASN C C 13 174.226 0.40 A 254 ASN CA C 13 54.582 0.40 A 254 ASN CB C 13 37.360 0.40 A 254 ASN N N 15 116.291 0.40 A 254 ASN ND2 N 15 112.257 0.40 A 255 LEU H H 1 7.964 0.04 A 255 LEU HA H 1 4.398 0.04 A 255 LEU HBy H 1 0.762 0.04 A 255 LEU HBx H 1 0.547 0.04 A 255 LEU HDx% H 1 0.427 0.04 A 255 LEU HDy% H 1 -0.193 0.04 A 255 LEU HG H 1 1.157 0.04 A 255 LEU C C 13 177.013 0.40 A 255 LEU CA C 13 54.242 0.40 A 255 LEU CB C 13 44.055 0.40 A 255 LEU CDx C 13 23.243 0.40 A 255 LEU CDy C 13 25.306 0.40 A 255 LEU CG C 13 26.307 0.40 A 255 LEU N N 15 118.583 0.40 A 256 LYS H H 1 8.724 0.04 A 256 LYS HA H 1 4.426 0.04 A 256 LYS HBy H 1 1.913 0.04 A 256 LYS HBx H 1 1.664 0.04 A 256 LYS HDx H 1 1.608 0.04 A 256 LYS HDy H 1 1.608 0.04 A 256 LYS HEy H 1 2.961 0.04 A 256 LYS HEx H 1 2.916 0.04 A 256 LYS HGy H 1 1.390 0.04 A 256 LYS HGx H 1 1.334 0.04 A 256 LYS C C 13 175.527 0.40 A 256 LYS CA C 13 55.595 0.40 A 256 LYS CB C 13 34.121 0.40 A 256 LYS CD C 13 28.592 0.40 A 256 LYS CE C 13 42.173 0.40 A 256 LYS CG C 13 24.686 0.40 A 256 LYS N N 15 119.435 0.40 A 257 GLU H H 1 7.457 0.04 A 257 GLU HA H 1 4.803 0.04 A 257 GLU HBy H 1 2.042 0.04 A 257 GLU HBx H 1 1.857 0.04 A 257 GLU HGy H 1 2.080 0.04 A 257 GLU HGx H 1 1.998 0.04 A 257 GLU CA C 13 53.258 0.40 A 257 GLU CB C 13 30.332 0.40 A 257 GLU CG C 13 34.983 0.40 A 257 GLU N N 15 117.177 0.40 A 258 PRO HA H 1 4.474 0.04 A 258 PRO HBy H 1 2.284 0.04 A 258 PRO HBx H 1 1.728 0.04 A 258 PRO HDy H 1 3.869 0.04 A 258 PRO HDx H 1 3.621 0.04 A 258 PRO HGx H 1 2.084 0.04 A 258 PRO HGy H 1 2.084 0.04 A 258 PRO CA C 13 61.331 0.40 A 258 PRO CB C 13 30.980 0.40 A 258 PRO CD C 13 50.488 0.40 A 258 PRO CG C 13 27.719 0.40 A 259 PRO HA H 1 4.325 0.04 A 259 PRO HBy H 1 2.206 0.04 A 259 PRO HBx H 1 1.894 0.04 A 259 PRO HDy H 1 3.451 0.04 A 259 PRO HDx H 1 3.337 0.04 A 259 PRO HGy H 1 1.700 0.04 A 259 PRO HGx H 1 1.465 0.04 A 259 PRO C C 13 176.772 0.40 A 259 PRO CA C 13 62.673 0.40 A 259 PRO CB C 13 32.154 0.40 A 259 PRO CD C 13 50.289 0.40 A 259 PRO CG C 13 27.472 0.40 A 260 LYS H H 1 8.582 0.04 A 260 LYS HA H 1 4.299 0.04 A 260 LYS HBy H 1 1.812 0.04 A 260 LYS HBx H 1 1.705 0.04 A 260 LYS HDx H 1 1.636 0.04 A 260 LYS HDy H 1 1.636 0.04 A 260 LYS HEx H 1 2.961 0.04 A 260 LYS HEy H 1 2.961 0.04 A 260 LYS HGy H 1 1.462 0.04 A 260 LYS HGx H 1 1.377 0.04 A 260 LYS C C 13 176.730 0.40 A 260 LYS CA C 13 56.086 0.40 A 260 LYS CB C 13 32.547 0.40 A 260 LYS CD C 13 28.865 0.40 A 260 LYS CE C 13 42.117 0.40 A 260 LYS CG C 13 24.938 0.40 A 260 LYS N N 15 122.454 0.40 A 261 GLY H H 1 8.033 0.04 A 261 GLY HAx H 1 3.957 0.04 A 261 GLY HAy H 1 3.957 0.04 A 261 GLY C C 13 173.420 0.40 A 261 GLY CA C 13 44.793 0.40 A 261 GLY N N 15 110.981 0.40 A 262 THR H H 1 7.999 0.04 A 262 THR HA H 1 4.167 0.04 A 262 THR HB H 1 3.848 0.04 A 262 THR HG2% H 1 1.039 0.04 A 262 THR C C 13 173.978 0.40 A 262 THR CA C 13 62.105 0.40 A 262 THR CB C 13 70.480 0.40 A 262 THR CG2 C 13 22.157 0.40 A 262 THR N N 15 116.671 0.40 A 263 TRP H H 1 9.193 0.04 A 263 TRP HA H 1 4.316 0.04 A 263 TRP HBy H 1 3.086 0.04 A 263 TRP HBx H 1 2.735 0.04 A 263 TRP HD1 H 1 7.199 0.04 A 263 TRP HE1 H 1 9.782 0.04 A 263 TRP HE3 H 1 7.353 0.04 A 263 TRP HH2 H 1 5.943 0.04 A 263 TRP HZ2 H 1 6.971 0.04 A 263 TRP HZ3 H 1 6.317 0.04 A 263 TRP C C 13 172.019 0.40 A 263 TRP CA C 13 59.469 0.40 A 263 TRP CB C 13 31.310 0.40 A 263 TRP CD1 C 13 125.943 0.40 A 263 TRP CE3 C 13 122.313 0.40 A 263 TRP CH2 C 13 122.411 0.40 A 263 TRP CZ2 C 13 112.836 0.40 A 263 TRP CZ3 C 13 120.679 0.40 A 263 TRP N N 15 127.611 0.40 A 263 TRP NE1 N 15 128.220 0.40 A 264 TYR H H 1 6.701 0.04 A 264 TYR HA H 1 5.058 0.04 A 264 TYR HBy H 1 2.331 0.04 A 264 TYR HBx H 1 2.036 0.04 A 264 TYR HDx H 1 6.715 0.04 A 264 TYR HDy H 1 6.715 0.04 A 264 TYR HEx H 1 6.495 0.04 A 264 TYR HEy H 1 6.495 0.04 A 264 TYR C C 13 173.605 0.40 A 264 TYR CA C 13 54.381 0.40 A 264 TYR CB C 13 41.766 0.40 A 264 TYR CDy C 13 132.882 0.40 A 264 TYR CEy C 13 117.682 0.40 A 264 TYR N N 15 123.004 0.40 A 265 CYS H H 1 9.180 0.04 A 265 CYS HA H 1 3.652 0.04 A 265 CYS HBy H 1 2.350 0.04 A 265 CYS HBx H 1 1.845 0.04 A 265 CYS CA C 13 57.264 0.40 A 265 CYS CB C 13 29.034 0.40 A 265 CYS N N 15 126.052 0.40 A 266 PRO HA H 1 4.031 0.04 A 266 PRO HBy H 1 2.371 0.04 A 266 PRO HBx H 1 1.868 0.04 A 266 PRO HDy H 1 3.611 0.04 A 266 PRO HDx H 1 3.512 0.04 A 266 PRO HGy H 1 2.117 0.04 A 266 PRO HGx H 1 2.037 0.04 A 266 PRO C C 13 178.125 0.40 A 266 PRO CA C 13 65.305 0.40 A 266 PRO CB C 13 32.255 0.40 A 266 PRO CD C 13 49.653 0.40 A 266 PRO CG C 13 27.842 0.40 A 267 GLU H H 1 8.123 0.04 A 267 GLU HA H 1 4.230 0.04 A 267 GLU HBx H 1 2.228 0.04 A 267 GLU HBy H 1 2.228 0.04 A 267 GLU HGy H 1 2.475 0.04 A 267 GLU HGx H 1 2.298 0.04 A 267 GLU C C 13 178.032 0.40 A 267 GLU CA C 13 58.372 0.40 A 267 GLU CB C 13 31.390 0.40 A 267 GLU CG C 13 37.778 0.40 A 267 GLU N N 15 116.083 0.40 A 268 CYS H H 1 8.259 0.04 A 268 CYS HA H 1 3.961 0.04 A 268 CYS HBy H 1 2.929 0.04 A 268 CYS HBx H 1 2.596 0.04 A 268 CYS C C 13 175.782 0.40 A 268 CYS CA C 13 62.290 0.40 A 268 CYS CB C 13 30.916 0.40 A 268 CYS N N 15 123.034 0.40 A 269 LYS H H 1 7.513 0.04 A 269 LYS HA H 1 3.546 0.04 A 269 LYS HBx H 1 1.477 0.04 A 269 LYS HBy H 1 1.477 0.04 A 269 LYS HDx H 1 1.417 0.04 A 269 LYS HDy H 1 1.417 0.04 A 269 LYS HEx H 1 2.789 0.04 A 269 LYS HEy H 1 2.789 0.04 A 269 LYS HGy H 1 1.131 0.04 A 269 LYS HGx H 1 1.087 0.04 A 269 LYS C C 13 175.457 0.40 A 269 LYS CA C 13 57.066 0.40 A 269 LYS CB C 13 32.513 0.40 A 269 LYS CD C 13 29.241 0.40 A 269 LYS CE C 13 41.960 0.40 A 269 LYS CG C 13 24.376 0.40 A 269 LYS N N 15 118.837 0.40 A 270 ILE H H 1 7.508 0.04 A 270 ILE HA H 1 3.998 0.04 A 270 ILE HB H 1 1.680 0.04 A 270 ILE HD1% H 1 0.691 0.04 A 270 ILE HG1y H 1 1.247 0.04 A 270 ILE HG1x H 1 0.933 0.04 A 270 ILE HG2% H 1 0.731 0.04 A 270 ILE CA C 13 61.024 0.40 A 270 ILE CB C 13 38.645 0.40 A 270 ILE CD1 C 13 12.939 0.40 A 270 ILE CG1 C 13 26.791 0.40 A 270 ILE CG2 C 13 17.456 0.40 A 270 ILE N N 15 122.501 0.40 A 271 GLU H H 1 7.699 0.04 A 271 GLU HA H 1 3.976 0.04 A 271 GLU HBy H 1 1.893 0.04 A 271 GLU HBx H 1 1.770 0.04 A 271 GLU HGx H 1 2.083 0.04 A 271 GLU HGy H 1 2.083 0.04 A 271 GLU CA C 13 57.926 0.40 A 271 GLU CB C 13 31.166 0.40 A 271 GLU CG C 13 36.549 0.40 A 271 GLU N N 15 120.67 0.40 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 232 PHE HA A 233 GLY H 1.0 1.8 3.5 2 2 A 255 LEU H A 255 LEU HBx 1.0 1.8 5.0 3 3 A 255 LEU H A 253 VAL HGy% 1.0 1.8 5.0 4 4 A 255 LEU H A 255 LEU HBy 1.0 1.8 5.0 5 5 A 259 PRO HA A 260 LYS H 1.0 1.8 3.5 6 6 A 255 LEU HA A 256 LYS H 1.0 1.8 5.0 7 7 A 252 CYS HBx A 253 VAL H 1.0 1.8 5.0 8 8 A 253 VAL H A 252 CYS HBy 1.0 1.8 5.0 9 9 A 237 ALA HB% A 238 CYS H 1.0 1.8 5.0 10 10 A 245 TYR HBy A 246 GLU H 1.0 1.8 5.0 11 11 A 246 GLU H A 246 GLU HBy 1.0 1.8 5.0 12 12 A 232 PHE H A 231 SER HBx 1.0 1.8 5.0 13 12 A 231 SER HBy A 232 PHE H 1.0 1.8 5.0 14 13 A 232 PHE H A 231 SER HA 1.0 1.8 3.5 15 14 A 265 CYS H A 265 CYS HBy 1.0 1.8 5.0 16 15 A 265 CYS H A 264 TYR HBy 1.0 1.8 5.0 17 16 A 265 CYS H A 265 CYS HBx 1.0 1.8 5.0 18 17 A 265 CYS H A 268 CYS HBy 1.0 1.8 5.0 19 18 A 265 CYS H A 268 CYS HBx 1.0 1.8 5.0 20 19 A 265 CYS H A 264 TYR HA 1.0 1.8 3.5 21 20 A 265 CYS H A 264 TYR H 1.0 1.8 5.0 22 21 A 265 CYS H A 264 TYR HD% 1.0 1.8 6.0 23 22 A 236 VAL HGy% A 248 PHE H 1.0 1.8 5.0 24 23 A 248 PHE H A 247 TRP HBy 1.0 1.8 5.0 25 24 A 248 PHE H A 248 PHE HBx 1.0 1.8 5.0 26 25 A 248 PHE H A 247 TRP HBx 1.0 1.8 5.0 27 26 A 248 PHE H A 248 PHE HBy 1.0 1.8 5.0 28 27 A 248 PHE H A 237 ALA HA 1.0 1.8 5.0 29 28 A 248 PHE H A 247 TRP HA 1.0 1.8 3.5 30 29 A 248 PHE H A 248 PHE HD% 1.0 1.8 5.0 31 30 A 248 PHE HBy A 249 HIS H 1.0 1.8 5.0 32 31 A 252 CYS HBx A 249 HIS H 1.0 1.8 5.0 33 32 A 252 CYS HBy A 249 HIS H 1.0 1.8 5.0 34 33 A 249 HIS H A 249 HIS HBx 1.0 1.8 5.0 35 34 A 249 HIS H A 249 HIS HBy 1.0 1.8 5.0 36 35 A 249 HIS H A 225 CYS HBy 1.0 1.8 6.0 37 36 A 249 HIS H A 249 HIS HE1 1.0 1.8 5.0 38 37 A 249 HIS H A 252 CYS H 1.0 1.8 6.0 39 38 A 223 LEU H A 224 TYR H 1.0 1.8 5.0 40 39 A 225 CYS HBy A 224 TYR H 1.0 1.8 6.0 41 40 A 224 TYR H A 223 LEU HA 1.0 1.8 3.5 42 41 A 224 TYR H A 222 THR HA 1.0 1.8 6.0 43 42 A 224 TYR H A 228 GLN HA 1.0 1.8 6.0 44 43 A 224 TYR H A 224 TYR HBx 1.0 1.8 5.0 45 44 A 224 TYR H A 224 TYR HBy 1.0 1.8 5.0 46 45 A 224 TYR H A 223 LEU HG 1.0 1.8 6.0 47 46 A 253 VAL HGy% A 250 TYR H 1.0 1.8 5.0 48 47 A 250 TYR H A 250 TYR HBx 1.0 1.8 5.0 49 48 A 250 TYR H A 250 TYR HBy 1.0 1.8 5.0 50 49 A 250 TYR H A 249 HIS HBx 1.0 1.8 5.0 51 50 A 250 TYR H A 249 HIS HBy 1.0 1.8 5.0 52 51 A 250 TYR H A 249 HIS HA 1.0 1.8 3.5 53 52 A 250 TYR H A 235 MET HA 1.0 1.8 5.0 54 53 A 250 TYR H A 250 TYR HD% 1.0 1.8 3.5 55 54 A 250 TYR H A 250 TYR HE% 1.0 1.8 6.0 56 55 A 250 TYR H A 251 ASP H 1.0 1.8 5.0 57 56 A 265 CYS HBy A 267 GLU H 1.0 1.8 5.0 58 57 A 267 GLU H A 267 GLU HBx 1.0 1.8 3.5 59 57 A 267 GLU H A 267 GLU HBy 1.0 1.8 3.5 60 58 A 267 GLU H A 267 GLU HGy 1.0 1.8 5.0 61 59 A 267 GLU H A 267 GLU HGx 1.0 1.8 5.0 62 60 A 267 GLU H A 266 PRO HDy 1.0 1.8 5.0 63 61 A 267 GLU H A 266 PRO HDx 1.0 1.8 5.0 64 62 A 267 GLU H A 268 CYS HA 1.0 1.8 6.0 65 63 A 260 LYS HA A 261 GLY H 1.0 1.8 3.5 66 64 A 261 GLY H A 260 LYS HBx 1.0 1.8 5.0 67 65 A 261 GLY H A 260 LYS HBy 1.0 1.8 5.0 68 66 A 230 VAL H A 229 ARG HGy 1.0 1.8 5.0 69 67 A 230 VAL H A 229 ARG HGx 1.0 1.8 5.0 70 68 A 230 VAL H A 229 ARG HBx 1.0 1.8 3.5 71 68 A 230 VAL H A 229 ARG HBy 1.0 1.8 3.5 72 69 A 230 VAL H A 230 VAL HB 1.0 1.8 5.0 73 70 A 230 VAL H A 230 VAL HGy% 1.0 1.8 3.5 74 71 A 230 VAL H A 229 ARG HA 1.0 1.8 3.5 75 72 A 262 THR H A 261 GLY HAx 1.0 1.8 3.5 76 72 A 261 GLY HAy A 262 THR H 1.0 1.8 3.5 77 73 A 262 THR H A 262 THR HB 1.0 1.8 5.0 78 74 A 262 THR H A 262 THR HG2% 1.0 1.8 5.0 79 75 A 230 VAL HGy% A 231 SER H 1.0 1.8 5.0 80 76 A 230 VAL HB A 231 SER H 1.0 1.8 3.5 81 77 A 231 SER H A 231 SER HBx 1.0 1.8 3.5 82 77 A 231 SER HBy A 231 SER H 1.0 1.8 3.5 83 78 A 231 SER H A 230 VAL HA 1.0 1.8 3.5 84 79 A 270 ILE H A 271 GLU H 1.0 1.8 5.0 85 80 A 270 ILE H A 270 ILE HB 1.0 1.8 5.0 86 81 A 270 ILE H A 269 LYS HBx 1.0 1.8 5.0 87 81 A 270 ILE H A 269 LYS HBy 1.0 1.8 5.0 88 82 A 270 ILE H A 270 ILE HG1y 1.0 1.8 5.0 89 83 A 270 ILE H A 270 ILE HG1x 1.0 1.8 5.0 90 84 A 270 ILE H A 270 ILE HG2% 1.0 1.8 5.0 91 85 A 270 ILE H A 270 ILE HD1% 1.0 1.8 5.0 92 86 A 253 VAL HGy% A 254 ASN H 1.0 1.8 5.0 93 87 A 254 ASN H A 253 VAL HGx% 1.0 1.8 5.0 94 88 A 254 ASN H A 254 ASN HBx 1.0 1.8 5.0 95 89 A 254 ASN H A 254 ASN HA 1.0 1.8 3.5 96 90 A 254 ASN H A 253 VAL HA 1.0 1.8 5.0 97 91 A 254 ASN H A 251 ASP HA 1.0 1.8 5.0 98 92 A 254 ASN H A 254 ASN HBy 1.0 1.8 5.0 99 93 A 254 ASN H A 253 VAL HB 1.0 1.8 6.0 100 94 A 253 VAL H A 254 ASN H 1.0 1.8 3.5 101 95 A 252 CYS H A 254 ASN H 1.0 1.8 5.0 102 96 A 255 LEU H A 254 ASN H 1.0 1.8 3.5 103 97 A 228 GLN H A 229 ARG H 1.0 1.8 5.0 104 98 A 228 GLN H A 228 GLN HE2x 1.0 1.8 5.0 105 99 A 228 GLN H A 228 GLN HE2y 1.0 1.8 6.0 106 100 A 225 CYS HBy A 228 GLN H 1.0 1.8 5.0 107 101 A 228 GLN H A 226 PHE HA 1.0 1.8 5.0 108 102 A 228 GLN H A 228 GLN HGx 1.0 1.8 5.0 109 102 A 228 GLN H A 228 GLN HGy 1.0 1.8 5.0 110 103 A 269 LYS H A 269 LYS HBx 1.0 1.8 3.5 111 103 A 269 LYS HBy A 269 LYS H 1.0 1.8 3.5 112 104 A 264 TYR HBy A 269 LYS H 1.0 1.8 5.0 113 105 A 269 LYS H A 264 TYR HBx 1.0 1.8 5.0 114 106 A 268 CYS HBy A 269 LYS H 1.0 1.8 5.0 115 107 A 268 CYS HBx A 269 LYS H 1.0 1.8 5.0 116 108 A 269 LYS H A 266 PRO HA 1.0 1.8 5.0 117 109 A 269 LYS H A 267 GLU HA 1.0 1.8 6.0 118 110 A 267 GLU H A 269 LYS H 1.0 1.8 5.0 119 111 A 256 LYS H A 257 GLU H 1.0 1.8 3.5 120 112 A 255 LEU H A 257 GLU H 1.0 1.8 6.0 121 113 A 250 TYR HE% A 257 GLU H 1.0 1.8 5.0 122 114 A 255 LEU HA A 257 GLU H 1.0 1.8 5.0 123 115 A 257 GLU H A 256 LYS HBx 1.0 1.8 5.0 124 116 A 257 GLU H A 256 LYS HBy 1.0 1.8 5.0 125 117 A 257 GLU H A 257 GLU HGx 1.0 1.8 5.0 126 118 A 257 GLU H A 257 GLU HGy 1.0 1.8 5.0 127 119 A 257 GLU H A 255 LEU HG 1.0 1.8 6.0 128 120 A 257 GLU H A 255 LEU HDx% 1.0 1.8 6.0 129 121 A 257 GLU H A 255 LEU HDy% 1.0 1.8 6.0 130 122 A 252 CYS H A 251 ASP HBx 1.0 1.8 5.0 131 122 A 252 CYS H A 251 ASP HBy 1.0 1.8 5.0 132 123 A 252 CYS HBy A 252 CYS H 1.0 1.8 3.5 133 124 A 252 CYS H A 249 HIS HBx 1.0 1.8 5.0 134 125 A 252 CYS H A 250 TYR HA 1.0 1.8 5.0 135 126 A 253 VAL H A 252 CYS H 1.0 1.8 3.5 136 127 A 252 CYS H A 251 ASP H 1.0 1.8 3.5 137 128 A 228 GLN H A 227 CYS H 1.0 1.8 3.5 138 129 A 225 CYS HBy A 227 CYS H 1.0 1.8 5.0 139 130 A 228 GLN HA A 227 CYS H 1.0 1.8 5.0 140 131 A 227 CYS H A 226 PHE HBx 1.0 1.8 5.0 141 131 A 227 CYS H A 226 PHE HBy 1.0 1.8 5.0 142 132 A 227 CYS H A 227 CYS HBx 1.0 1.8 5.0 143 133 A 227 CYS H A 225 CYS HBx 1.0 1.8 5.0 144 134 A 227 CYS H A 228 GLN HGx 1.0 1.8 5.0 145 134 A 228 GLN HGy A 227 CYS H 1.0 1.8 5.0 146 135 A 232 PHE H A 231 SER H 1.0 1.8 6.0 147 136 A 233 GLY H A 232 PHE H 1.0 1.8 6.0 148 137 A 242 ASN HA A 243 CYS H 1.0 1.8 3.5 149 138 A 243 CYS H A 241 PRO HA 1.0 1.8 6.0 150 139 A 243 CYS H A 240 GLY HAx 1.0 1.8 6.0 151 140 A 243 CYS H A 242 ASN H 1.0 1.8 5.0 152 141 A 243 CYS H A 244 LYS H 1.0 1.8 5.0 153 142 A 243 CYS H A 243 CYS HBy 1.0 1.8 3.5 154 143 A 243 CYS H A 243 CYS HBx 1.0 1.8 3.5 155 144 A 243 CYS H A 242 ASN HBy 1.0 1.8 5.0 156 145 A 243 CYS H A 242 ASN HBx 1.0 1.8 5.0 157 146 A 242 ASN H A 242 ASN HBx 1.0 1.8 5.0 158 147 A 242 ASN H A 242 ASN HBy 1.0 1.8 5.0 159 148 A 242 ASN H A 241 PRO HDx 1.0 1.8 5.0 160 149 A 242 ASN H A 241 PRO HDy 1.0 1.8 5.0 161 150 A 240 GLY HAx A 242 ASN H 1.0 1.8 5.0 162 151 A 242 ASN H A 240 GLY HAy 1.0 1.8 5.0 163 152 A 253 VAL HGy% A 253 VAL H 1.0 1.8 3.5 164 153 A 253 VAL H A 254 ASN HA 1.0 1.8 5.0 165 154 A 255 LEU H A 253 VAL H 1.0 1.8 5.0 166 155 A 224 TYR HA A 225 CYS H 1.0 1.8 3.5 167 156 A 224 TYR HBx A 225 CYS H 1.0 1.8 5.0 168 157 A 225 CYS H A 245 TYR HBx 1.0 1.8 6.0 169 158 A 225 CYS H A 228 GLN HGx 1.0 1.8 5.0 170 158 A 228 GLN HGy A 225 CYS H 1.0 1.8 5.0 171 159 A 224 TYR HBy A 225 CYS H 1.0 1.8 5.0 172 160 A 264 TYR HBy A 264 TYR H 1.0 1.8 5.0 173 161 A 264 TYR H A 263 TRP HBx 1.0 1.8 5.0 174 162 A 264 TYR H A 263 TRP HBy 1.0 1.8 5.0 175 163 A 264 TYR H A 263 TRP HA 1.0 1.8 3.5 176 164 A 264 TYR H A 263 TRP H 1.0 1.8 5.0 177 165 A 223 LEU H A 222 THR HB 1.0 1.8 5.0 178 166 A 223 LEU H A 222 THR HA 1.0 1.8 3.5 179 167 A 223 LEU H A 223 LEU HBy 1.0 1.8 3.5 180 168 A 223 LEU H A 222 THR HG2% 1.0 1.8 5.0 181 169 A 223 LEU H A 223 LEU HBx 1.0 1.8 3.5 182 170 A 225 CYS HBx A 226 PHE H 1.0 1.8 5.0 183 171 A 226 PHE H A 226 PHE HBx 1.0 1.8 5.0 184 171 A 226 PHE HBy A 226 PHE H 1.0 1.8 5.0 185 172 A 226 PHE H A 225 CYS HA 1.0 1.8 5.0 186 173 A 227 CYS HBx A 226 PHE H 1.0 1.8 6.0 187 174 A 225 CYS HBy A 226 PHE H 1.0 1.8 5.0 188 175 A 227 CYS H A 226 PHE H 1.0 1.8 3.5 189 176 A 226 PHE H A 226 PHE HD% 1.0 1.8 5.0 190 177 A 248 PHE HD% A 226 PHE H 1.0 1.8 5.0 191 178 A 240 GLY H A 264 TYR HE% 1.0 1.8 6.0 192 179 A 240 GLY H A 239 ASP HBy 1.0 1.8 5.0 193 180 A 243 CYS HBx A 240 GLY H 1.0 1.8 5.0 194 181 A 243 CYS HBy A 240 GLY H 1.0 1.8 5.0 195 182 A 240 GLY H A 239 ASP HBx 1.0 1.8 5.0 196 183 A 256 LYS H A 256 LYS HDx 1.0 1.8 5.0 197 183 A 256 LYS H A 256 LYS HDy 1.0 1.8 5.0 198 184 A 260 LYS H A 261 GLY H 1.0 1.8 5.0 199 185 A 268 CYS H A 267 GLU HBx 1.0 1.8 3.5 200 185 A 267 GLU HBy A 268 CYS H 1.0 1.8 3.5 201 186 A 264 TYR HBx A 268 CYS H 1.0 1.8 6.0 202 187 A 265 CYS HBx A 268 CYS H 1.0 1.8 6.0 203 188 A 268 CYS HBy A 268 CYS H 1.0 1.8 3.5 204 189 A 268 CYS HBx A 268 CYS H 1.0 1.8 5.0 205 190 A 269 LYS H A 268 CYS H 1.0 1.8 3.5 206 191 A 267 GLU H A 268 CYS H 1.0 1.8 3.5 207 192 A 265 CYS H A 268 CYS H 1.0 1.8 5.0 208 193 A 238 CYS H A 263 TRP HZ3 1.0 1.8 5.0 209 194 A 238 CYS H A 247 TRP HA 1.0 1.8 5.0 210 195 A 238 CYS H A 237 ALA HA 1.0 1.8 3.5 211 196 A 238 CYS H A 246 GLU HA 1.0 1.8 5.0 212 197 A 238 CYS H A 238 CYS HBy 1.0 1.8 5.0 213 198 A 238 CYS H A 238 CYS HBx 1.0 1.8 5.0 214 199 A 251 ASP H A 250 TYR HBx 1.0 1.8 5.0 215 200 A 251 ASP H A 251 ASP HBx 1.0 1.8 3.5 216 200 A 251 ASP H A 251 ASP HBy 1.0 1.8 3.5 217 201 A 251 ASP H A 250 TYR HBy 1.0 1.8 5.0 218 202 A 251 ASP H A 249 HIS HBx 1.0 1.8 5.0 219 203 A 251 ASP H A 249 HIS HBy 1.0 1.8 5.0 220 204 A 249 HIS HA A 251 ASP H 1.0 1.8 5.0 221 205 A 250 TYR HD% A 251 ASP H 1.0 1.8 5.0 222 206 A 253 VAL H A 251 ASP H 1.0 1.8 5.0 223 207 A 234 GLU HA A 235 MET H 1.0 1.8 3.5 224 208 A 235 MET H A 235 MET HGy 1.0 1.8 5.0 225 209 A 235 MET H A 235 MET HGx 1.0 1.8 5.0 226 210 A 235 MET H A 234 GLU HGx 1.0 1.8 6.0 227 211 A 235 MET H A 234 GLU HBy 1.0 1.8 5.0 228 212 A 235 MET H A 234 GLU HBx 1.0 1.8 5.0 229 213 A 234 GLU H A 233 GLY HAx 1.0 1.8 5.0 230 214 A 234 GLU H A 233 GLY HAy 1.0 1.8 5.0 231 215 A 233 GLY H A 234 GLU H 1.0 1.8 5.0 232 216 A 245 TYR H A 244 LYS HBx 1.0 1.8 5.0 233 216 A 244 LYS HBy A 245 TYR H 1.0 1.8 5.0 234 217 A 255 LEU H A 255 LEU HG 1.0 1.8 5.0 235 218 A 229 ARG H A 228 GLN HBx 1.0 1.8 5.0 236 219 A 243 CYS HBx A 245 TYR H 1.0 1.8 5.0 237 220 A 224 TYR HBx A 245 TYR H 1.0 1.8 6.0 238 221 A 245 TYR H A 243 CYS HA 1.0 1.8 5.0 239 222 A 245 TYR H A 245 TYR HE% 1.0 1.8 6.0 240 223 A 245 TYR H A 245 TYR HD% 1.0 1.8 5.0 241 224 A 244 LYS H A 245 TYR H 1.0 1.8 3.5 242 225 A 246 GLU HA A 245 TYR H 1.0 1.8 5.0 243 226 A 228 GLN HA A 229 ARG H 1.0 1.8 3.5 244 227 A 245 TYR HBx A 245 TYR H 1.0 1.8 5.0 245 228 A 245 TYR HBy A 245 TYR H 1.0 1.8 5.0 246 229 A 229 ARG H A 228 GLN HBy 1.0 1.8 5.0 247 230 A 229 ARG H A 228 GLN HGx 1.0 1.8 6.0 248 230 A 229 ARG H A 228 GLN HGy 1.0 1.8 6.0 249 231 A 229 ARG H A 229 ARG HBx 1.0 1.8 5.0 250 231 A 229 ARG HBy A 229 ARG H 1.0 1.8 5.0 251 232 A 255 LEU H A 254 ASN HA 1.0 1.8 3.5 252 233 A 255 LEU H A 251 ASP HA 1.0 1.8 5.0 253 234 A 246 GLU H A 245 TYR H 1.0 1.8 3.5 254 235 A 246 GLU H A 248 PHE HE% 1.0 1.8 6.0 255 236 A 246 GLU H A 245 TYR HD% 1.0 1.8 5.0 256 237 A 246 GLU H A 243 CYS HBx 1.0 1.8 5.0 257 238 A 246 GLU H A 246 GLU HGy 1.0 1.8 5.0 258 239 A 246 GLU H A 246 GLU HGx 1.0 1.8 5.0 259 240 A 246 GLU H A 244 LYS HBx 1.0 1.8 5.0 260 240 A 246 GLU H A 244 LYS HBy 1.0 1.8 5.0 261 241 A 247 TRP HBy A 247 TRP H 1.0 1.8 5.0 262 242 A 246 GLU HBy A 247 TRP H 1.0 1.8 5.0 263 243 A 224 TYR HBx A 247 TRP H 1.0 1.8 5.0 264 244 A 244 LYS H A 245 TYR HD% 1.0 1.8 5.0 265 245 A 244 LYS H A 243 CYS HA 1.0 1.8 3.5 266 246 A 244 LYS H A 243 CYS HBy 1.0 1.8 5.0 267 247 A 244 LYS H A 243 CYS HBx 1.0 1.8 5.0 268 248 A 244 LYS H A 244 LYS HBx 1.0 1.8 3.5 269 248 A 244 LYS H A 244 LYS HBy 1.0 1.8 3.5 270 249 A 244 LYS H A 244 LYS HGx 1.0 1.8 5.0 271 250 A 244 LYS H A 244 LYS HDx 1.0 1.8 5.0 272 250 A 244 LYS H A 244 LYS HDy 1.0 1.8 5.0 273 251 A 239 ASP H A 239 ASP HBx 1.0 1.8 5.0 274 252 A 239 ASP H A 239 ASP HBy 1.0 1.8 5.0 275 253 A 239 ASP H A 238 CYS HA 1.0 1.8 3.5 276 254 A 264 TYR HA A 239 ASP H 1.0 1.8 5.0 277 255 A 264 TYR HD% A 239 ASP H 1.0 1.8 5.0 278 256 A 263 TRP H A 239 ASP H 1.0 1.8 5.0 279 257 A 240 GLY H A 239 ASP H 1.0 1.8 5.0 280 258 A 263 TRP H A 262 THR HA 1.0 1.8 3.5 281 259 A 262 THR HB A 263 TRP H 1.0 1.8 5.0 282 260 A 263 TRP H A 263 TRP HBy 1.0 1.8 5.0 283 261 A 263 TRP H A 263 TRP HBx 1.0 1.8 5.0 284 262 A 262 THR HG2% A 263 TRP H 1.0 1.8 5.0 285 263 A 224 TYR H A 225 CYS H 1.0 1.8 5.0 286 264 A 249 HIS H A 248 PHE HA 1.0 1.8 3.5 287 265 A 232 PHE H A 232 PHE HD% 1.0 1.8 5.0 288 266 A 238 CYS H A 239 ASP H 1.0 1.8 6.0 289 267 A 238 CYS H A 247 TRP H 1.0 1.8 6.0 290 268 A 228 GLN HE2y A 225 CYS H 1.0 1.8 5.0 291 269 A 228 GLN HA A 228 GLN HE2y 1.0 1.8 5.0 292 270 A 228 GLN HA A 228 GLN HE2x 1.0 1.8 5.0 293 271 A 228 GLN HE2x A 224 TYR HA 1.0 1.8 5.0 294 272 A 228 GLN HE2x A 225 CYS H 1.0 1.8 5.0 295 273 A 253 VAL HB A 263 TRP HE1 1.0 1.8 6.0 296 274 A 263 TRP HE1 A 259 PRO HGx 1.0 1.8 5.0 297 275 A 263 TRP HE1 A 255 LEU HDx% 1.0 1.8 5.0 298 276 A 263 TRP HE1 A 255 LEU HDy% 1.0 1.8 5.0 299 277 A 225 CYS HBy A 229 ARG H 1.0 1.8 6.0 300 278 A 228 GLN HE2y A 226 PHE HA 1.0 1.8 6.0 301 279 A 233 GLY H A 232 PHE HD% 1.0 1.8 5.0 302 280 A 237 ALA HB% A 247 TRP HE1 1.0 1.8 6.0 303 281 A 238 CYS H A 248 PHE H 1.0 1.8 6.0 304 282 A 246 GLU H A 224 TYR HBx 1.0 1.8 6.0 305 283 A 246 GLU H A 243 CYS HBy 1.0 1.8 6.0 306 284 A 248 PHE HBx A 249 HIS H 1.0 1.8 6.0 307 285 A 249 HIS H A 253 VAL HGx% 1.0 1.8 6.0 308 286 A 255 LEU H A 250 TYR HA 1.0 1.8 5.0 309 287 A 264 TYR HBy A 269 LYS HBx 1.0 1.8 5.0 310 287 A 264 TYR HBy A 269 LYS HBy 1.0 1.8 5.0 311 288 A 264 TYR HBx A 269 LYS HA 1.0 1.8 5.0 312 289 A 249 HIS HA A 235 MET HA 1.0 1.8 5.0 313 290 A 235 MET HA A 250 TYR HD% 1.0 1.8 5.0 314 291 A 247 TRP HA A 248 PHE HD% 1.0 1.8 5.0 315 292 A 247 TRP HA A 247 TRP HD1 1.0 1.8 5.0 316 293 A 237 ALA HA A 247 TRP HA 1.0 1.8 5.0 317 294 A 225 CYS HBx A 248 PHE HA 1.0 1.8 5.0 318 295 A 236 VAL HGy% A 248 PHE HBx 1.0 1.8 5.0 319 296 A 236 VAL HGy% A 248 PHE HBy 1.0 1.8 5.0 320 297 A 223 LEU HA A 223 LEU HDx% 1.0 1.8 5.0 321 298 A 223 LEU HA A 230 VAL HA 1.0 1.8 5.0 322 299 A 223 LEU HA A 223 LEU HDy% 1.0 1.8 5.0 323 300 A 223 LEU H A 223 LEU HG 1.0 1.8 6.0 324 301 A 223 LEU HG A 229 ARG H 1.0 1.8 6.0 325 302 A 252 CYS H A 249 HIS HBy 1.0 1.8 5.0 326 303 A 270 ILE H A 266 PRO HA 1.0 1.8 6.0 327 304 A 266 PRO HA A 269 LYS HDx 1.0 1.8 5.0 328 304 A 266 PRO HA A 269 LYS HDy 1.0 1.8 5.0 329 305 A 266 PRO HA A 269 LYS HBx 1.0 1.8 5.0 330 305 A 269 LYS HBy A 266 PRO HA 1.0 1.8 5.0 331 306 A 265 CYS HBy A 266 PRO HDy 1.0 1.8 5.0 332 307 A 265 CYS HBx A 266 PRO HDy 1.0 1.8 5.0 333 308 A 265 CYS HBx A 266 PRO HDx 1.0 1.8 5.0 334 309 A 265 CYS HBy A 266 PRO HDx 1.0 1.8 5.0 335 310 A 266 PRO HDx A 253 VAL HGx% 1.0 1.8 5.0 336 311 A 260 LYS HA A 260 LYS HDx 1.0 1.8 5.0 337 311 A 260 LYS HA A 260 LYS HDy 1.0 1.8 5.0 338 312 A 229 ARG HA A 230 VAL HGx% 1.0 1.8 5.0 339 313 A 229 ARG HA A 229 ARG HGx 1.0 1.8 5.0 340 314 A 229 ARG HA A 229 ARG HGy 1.0 1.8 5.0 341 315 A 229 ARG HA A 228 GLN HBx 1.0 1.8 5.0 342 316 A 230 VAL HB A 231 SER HBx 1.0 1.8 6.0 343 316 A 231 SER HBy A 230 VAL HB 1.0 1.8 6.0 344 317 A 231 SER HA A 230 VAL HA 1.0 1.8 6.0 345 318 A 230 VAL HGy% A 230 VAL HA 1.0 1.8 5.0 346 319 A 223 LEU HA A 230 VAL HGx% 1.0 1.8 5.0 347 320 A 230 VAL HA A 230 VAL HGx% 1.0 1.8 3.5 348 321 A 230 VAL H A 230 VAL HGx% 1.0 1.8 3.5 349 322 A 231 SER H A 230 VAL HGx% 1.0 1.8 5.0 350 323 A 264 TYR HBx A 269 LYS HBx 1.0 1.8 5.0 351 323 A 269 LYS HBy A 264 TYR HBx 1.0 1.8 5.0 352 324 A 269 LYS HA A 269 LYS HEx 1.0 1.8 5.0 353 324 A 269 LYS HA A 269 LYS HEy 1.0 1.8 5.0 354 325 A 264 TYR HBy A 269 LYS HA 1.0 1.8 5.0 355 326 A 269 LYS HEy A 269 LYS HGy 1.0 1.8 5.0 356 326 A 269 LYS HGy A 269 LYS HEx 1.0 1.8 5.0 357 327 A 269 LYS HBy A 269 LYS HEx 1.0 1.8 5.0 358 327 A 269 LYS HBx A 269 LYS HEx 1.0 1.8 5.0 359 327 A 269 LYS HEy A 269 LYS HBx 1.0 1.8 5.0 360 327 A 269 LYS HBy A 269 LYS HEy 1.0 1.8 5.0 361 328 A 269 LYS H A 269 LYS HGy 1.0 1.8 6.0 362 329 A 269 LYS H A 269 LYS HGx 1.0 1.8 6.0 363 330 A 269 LYS H A 269 LYS HDx 1.0 1.8 5.0 364 330 A 269 LYS H A 269 LYS HDy 1.0 1.8 5.0 365 331 A 270 ILE H A 269 LYS HDx 1.0 1.8 6.0 366 331 A 270 ILE H A 269 LYS HDy 1.0 1.8 6.0 367 332 A 269 LYS HEx A 269 LYS HGx 1.0 1.8 5.0 368 332 A 269 LYS HEy A 269 LYS HGx 1.0 1.8 5.0 369 333 A 253 VAL HB A 263 TRP HZ2 1.0 1.8 5.0 370 334 A 253 VAL HGy% A 255 LEU HDy% 1.0 1.8 5.0 371 335 A 253 VAL HGy% A 250 TYR HA 1.0 1.8 3.5 372 336 A 253 VAL HGy% A 254 ASN HA 1.0 1.8 5.0 373 337 A 253 VAL HGy% A 255 LEU HA 1.0 1.8 6.0 374 338 A 253 VAL HGy% A 253 VAL HA 1.0 1.8 5.0 375 339 A 253 VAL HGy% A 263 TRP HZ2 1.0 1.8 5.0 376 340 A 253 VAL HGy% A 248 PHE HD% 1.0 1.8 5.0 377 341 A 253 VAL HGy% A 252 CYS H 1.0 1.8 5.0 378 342 A 253 VAL HGy% A 263 TRP HE1 1.0 1.8 5.0 379 343 A 236 VAL HGy% A 253 VAL HGx% 1.0 1.8 5.0 380 344 A 248 PHE HBx A 253 VAL HGx% 1.0 1.8 5.0 381 345 A 248 PHE HBy A 253 VAL HGx% 1.0 1.8 5.0 382 346 A 252 CYS HBx A 253 VAL HGx% 1.0 1.8 5.0 383 347 A 266 PRO HDy A 253 VAL HGx% 1.0 1.8 5.0 384 348 A 253 VAL HGx% A 253 VAL HA 1.0 1.8 3.5 385 349 A 253 VAL HGx% A 263 TRP HZ2 1.0 1.8 5.0 386 350 A 253 VAL H A 253 VAL HGx% 1.0 1.8 5.0 387 351 A 252 CYS H A 253 VAL HGx% 1.0 1.8 5.0 388 352 A 248 PHE HD% A 253 VAL HGx% 1.0 1.8 5.0 389 353 A 227 CYS HA A 226 PHE HBx 1.0 1.8 5.0 390 353 A 226 PHE HBy A 227 CYS HA 1.0 1.8 5.0 391 354 A 243 CYS HBx A 246 GLU HA 1.0 1.8 5.0 392 355 A 240 GLY HAx A 243 CYS HBx 1.0 1.8 5.0 393 356 A 268 CYS HBx A 240 GLY HAx 1.0 1.8 6.0 394 357 A 268 CYS HBx A 264 TYR HBx 1.0 1.8 5.0 395 358 A 256 LYS HA A 256 LYS HDx 1.0 1.8 5.0 396 358 A 256 LYS HDy A 256 LYS HA 1.0 1.8 5.0 397 359 A 250 TYR H A 251 ASP HBx 1.0 1.8 5.0 398 359 A 250 TYR H A 251 ASP HBy 1.0 1.8 5.0 399 360 A 254 ASN H A 251 ASP HBx 1.0 1.8 5.0 400 360 A 254 ASN H A 251 ASP HBy 1.0 1.8 5.0 401 361 A 226 PHE HA A 245 TYR HD% 1.0 1.8 5.0 402 362 A 228 GLN HE2x A 226 PHE HA 1.0 1.8 5.0 403 363 A 247 TRP HE3 A 231 SER HBx 1.0 1.8 6.0 404 363 A 231 SER HBy A 247 TRP HE3 1.0 1.8 6.0 405 364 A 240 GLY HAx A 241 PRO HDy 1.0 1.8 5.0 406 365 A 240 GLY HAx A 241 PRO HDx 1.0 1.8 5.0 407 366 A 252 CYS HBx A 252 CYS H 1.0 1.8 5.0 408 367 A 252 CYS HBy A 249 HIS HBy 1.0 1.8 5.0 409 368 A 247 TRP HBy A 224 TYR HBy 1.0 1.8 5.0 410 369 A 253 VAL HGy% A 248 PHE HBy 1.0 1.8 5.0 411 370 A 247 TRP HBy A 224 TYR HBx 1.0 1.8 5.0 412 371 A 224 TYR HBx A 245 TYR HD% 1.0 1.8 5.0 413 372 A 228 GLN HE2y A 224 TYR HA 1.0 1.8 5.0 414 373 A 224 TYR HA A 225 CYS HA 1.0 1.8 5.0 415 374 A 225 CYS HBx A 229 ARG HBx 1.0 1.8 6.0 416 374 A 229 ARG HBy A 225 CYS HBx 1.0 1.8 6.0 417 375 A 224 TYR HBy A 225 CYS HBx 1.0 1.8 5.0 418 376 A 249 HIS H A 225 CYS HBx 1.0 1.8 5.0 419 377 A 248 PHE HD% A 225 CYS HA 1.0 1.8 5.0 420 378 A 225 CYS HA A 248 PHE HA 1.0 1.8 5.0 421 379 A 245 TYR HBy A 225 CYS HA 1.0 1.8 6.0 422 380 A 250 TYR HA A 255 LEU HBy 1.0 1.8 5.0 423 381 A 255 LEU HBx A 255 LEU HDx% 1.0 1.8 5.0 424 382 A 255 LEU HA A 255 LEU HDy% 1.0 1.8 5.0 425 383 A 255 LEU HA A 255 LEU HDx% 1.0 1.8 5.0 426 384 A 259 PRO HDx A 255 LEU HDx% 1.0 1.8 5.0 427 385 A 253 VAL HGy% A 255 LEU HDx% 1.0 1.8 5.0 428 386 A 255 LEU HBy A 255 LEU HDx% 1.0 1.8 5.0 429 387 A 255 LEU HDy% A 255 LEU HBx 1.0 1.8 5.0 430 388 A 255 LEU HDy% A 255 LEU HBy 1.0 1.8 5.0 431 389 A 253 VAL HGy% A 255 LEU HG 1.0 1.8 5.0 432 390 A 259 PRO HGx A 255 LEU HDx% 1.0 1.8 5.0 433 391 A 236 VAL HGy% A 259 PRO HGx 1.0 1.8 5.0 434 392 A 259 PRO HGx A 255 LEU HDy% 1.0 1.8 5.0 435 393 A 259 PRO HDx A 255 LEU HDy% 1.0 1.8 5.0 436 394 A 259 PRO HDx A 258 PRO HA 1.0 1.8 3.5 437 395 A 258 PRO HA A 259 PRO HDy 1.0 1.8 3.5 438 396 A 236 VAL HGy% A 259 PRO HDy 1.0 1.8 6.0 439 397 A 237 ALA HB% A 237 ALA H 1.0 1.8 3.5 440 398 A 237 ALA HB% A 236 VAL HA 1.0 1.8 5.0 441 399 A 237 ALA HB% A 247 TRP HA 1.0 1.8 5.0 442 400 A 250 TYR HA A 255 LEU HBx 1.0 1.8 5.0 443 401 A 235 MET H A 234 GLU HGy 1.0 1.8 6.0 444 402 A 244 LYS HA A 244 LYS HGx 1.0 1.8 5.0 445 403 A 244 LYS HBy A 244 LYS HDx 1.0 1.8 5.0 446 403 A 244 LYS HDy A 244 LYS HBx 1.0 1.8 5.0 447 403 A 244 LYS HBy A 244 LYS HDy 1.0 1.8 5.0 448 403 A 244 LYS HBx A 244 LYS HDx 1.0 1.8 5.0 449 404 A 244 LYS HA A 244 LYS HGy 1.0 1.8 5.0 450 405 A 244 LYS H A 244 LYS HGy 1.0 1.8 5.0 451 406 A 244 LYS HBy A 244 LYS HEx 1.0 1.8 5.0 452 406 A 244 LYS HEy A 244 LYS HBx 1.0 1.8 5.0 453 406 A 244 LYS HBy A 244 LYS HEy 1.0 1.8 5.0 454 406 A 244 LYS HBx A 244 LYS HEx 1.0 1.8 5.0 455 407 A 228 GLN HA A 223 LEU HDy% 1.0 1.8 6.0 456 408 A 228 GLN HA A 223 LEU HDx% 1.0 1.8 6.0 457 409 A 228 GLN HA A 228 GLN HGx 1.0 1.8 5.0 458 409 A 228 GLN HA A 228 GLN HGy 1.0 1.8 5.0 459 410 A 222 THR HA A 222 THR HG2% 1.0 1.8 3.5 460 411 A 228 GLN HA A 223 LEU HG 1.0 1.8 6.0 461 412 A 248 PHE HBy A 263 TRP HE3 1.0 1.8 6.0 462 413 A 247 TRP HBx A 224 TYR HE% 1.0 1.8 6.0 463 414 A 226 PHE HA A 228 GLN HGx 1.0 1.8 5.0 464 414 A 226 PHE HA A 228 GLN HGy 1.0 1.8 5.0 465 415 A 235 MET HA A 236 VAL HGx% 1.0 1.8 5.0 466 416 A 237 ALA H A 236 VAL HA 1.0 1.8 5.0 467 417 A 248 PHE HBx A 236 VAL HGx% 1.0 1.8 5.0 468 418 A 248 PHE HBy A 236 VAL HGx% 1.0 1.8 5.0 469 419 A 236 VAL HA A 236 VAL HGx% 1.0 1.8 3.5 470 420 A 249 HIS HA A 236 VAL HGx% 1.0 1.8 5.0 471 421 A 250 TYR HA A 236 VAL HGx% 1.0 1.8 5.0 472 422 A 250 TYR HD% A 236 VAL HGx% 1.0 1.8 5.0 473 423 A 250 TYR HA A 236 VAL HB 1.0 1.8 5.0 474 424 A 253 VAL HGy% A 236 VAL HGx% 1.0 1.8 5.0 475 425 A 237 ALA HB% A 236 VAL HGy% 1.0 1.8 5.0 476 426 A 236 VAL HGy% A 263 TRP HE3 1.0 1.8 5.0 477 427 A 236 VAL HGy% A 237 ALA H 1.0 1.8 6.0 478 428 A 240 GLY HAy A 241 PRO HDy 1.0 1.8 5.0 479 429 A 240 GLY HAy A 241 PRO HDx 1.0 1.8 5.0 480 430 A 253 VAL HGy% A 248 PHE HBx 1.0 1.8 5.0 481 431 A 252 CYS HBy A 249 HIS HBx 1.0 1.8 5.0 482 432 A 253 VAL H A 250 TYR HA 1.0 1.8 5.0 483 433 A 250 TYR HD% A 255 LEU HBx 1.0 1.8 5.0 484 434 A 250 TYR HE% A 258 PRO HDx 1.0 1.8 6.0 485 435 A 254 ASN HA A 251 ASP HA 1.0 1.8 5.0 486 436 A 258 PRO HDx A 257 GLU HA 1.0 1.8 3.5 487 437 A 257 GLU HA A 258 PRO HDy 1.0 1.8 3.5 488 438 A 260 LYS HA A 261 GLY HAx 1.0 1.8 5.0 489 438 A 260 LYS HA A 261 GLY HAy 1.0 1.8 5.0 490 439 A 262 THR HA A 261 GLY HAx 1.0 1.8 5.0 491 439 A 261 GLY HAy A 262 THR HA 1.0 1.8 5.0 492 440 A 262 THR HG2% A 262 THR HA 1.0 1.8 3.5 493 441 A 262 THR HG2% A 263 TRP HA 1.0 1.8 6.0 494 442 A 266 PRO HDx A 263 TRP HH2 1.0 1.8 5.0 495 443 A 269 LYS HBx A 269 LYS HDx 1.0 1.8 2.7 496 443 A 269 LYS HBy A 269 LYS HDx 1.0 1.8 2.7 497 443 A 269 LYS HDy A 269 LYS HBx 1.0 1.8 2.7 498 443 A 269 LYS HBy A 269 LYS HDy 1.0 1.8 2.7 499 444 A 270 ILE HD1% A 270 ILE HA 1.0 1.8 5.0 500 445 A 270 ILE HG2% A 270 ILE HA 1.0 1.8 3.5 501 446 A 270 ILE HB A 270 ILE HD1% 1.0 1.8 5.0 502 447 A 270 ILE HG2% A 270 ILE HG1x 1.0 1.8 5.0 503 448 A 270 ILE HG2% A 270 ILE HG1y 1.0 1.8 5.0 504 449 A 264 TYR H A 263 TRP HD1 1.0 1.8 5.0 505 450 A 224 TYR HA A 224 TYR HD% 1.0 1.8 3.5 506 451 A 247 TRP HBx A 224 TYR HD% 1.0 1.8 5.0 507 452 A 247 TRP HBy A 224 TYR HD% 1.0 1.8 5.0 508 453 A 222 THR HG2% A 224 TYR HD% 1.0 1.8 5.0 509 454 A 224 TYR H A 224 TYR HD% 1.0 1.8 5.0 510 455 A 247 TRP H A 224 TYR HD% 1.0 1.8 5.0 511 456 A 250 TYR HD% A 250 TYR HA 1.0 1.8 3.5 512 457 A 247 TRP HD1 A 246 GLU HBx 1.0 1.8 5.0 513 458 A 224 TYR HBy A 247 TRP HD1 1.0 1.8 5.0 514 459 A 248 PHE HD% A 263 TRP HZ3 1.0 1.8 5.0 515 460 A 263 TRP HA A 263 TRP HD1 1.0 1.8 5.0 516 461 A 263 TRP HD1 A 259 PRO HBx 1.0 1.8 5.0 517 462 A 259 PRO HGx A 263 TRP HD1 1.0 1.8 5.0 518 463 A 263 TRP HD1 A 255 LEU HDx% 1.0 1.8 5.0 519 464 A 236 VAL HGy% A 263 TRP HD1 1.0 1.8 5.0 520 465 A 263 TRP HD1 A 255 LEU HDy% 1.0 1.8 5.0 521 466 A 239 ASP H A 263 TRP HE3 1.0 1.8 5.0 522 467 A 238 CYS H A 263 TRP HE3 1.0 1.8 5.0 523 468 A 263 TRP HE3 A 263 TRP HBy 1.0 1.8 5.0 524 469 A 263 TRP HE3 A 263 TRP HBx 1.0 1.8 5.0 525 470 A 265 CYS HBx A 263 TRP HE3 1.0 1.8 5.0 526 471 A 263 TRP HE3 A 236 VAL HGx% 1.0 1.8 5.0 527 472 A 264 TYR HA A 263 TRP HE3 1.0 1.8 5.0 528 473 A 265 CYS H A 263 TRP HE3 1.0 1.8 5.0 529 474 A 263 TRP HH2 A 265 CYS HA 1.0 1.8 5.0 530 475 A 265 CYS HBx A 263 TRP HH2 1.0 1.8 5.0 531 476 A 248 PHE HBx A 263 TRP HH2 1.0 1.8 5.0 532 477 A 253 VAL HGx% A 263 TRP HH2 1.0 1.8 5.0 533 478 A 253 VAL HGy% A 263 TRP HH2 1.0 1.8 5.0 534 479 A 226 PHE H A 248 PHE HE% 1.0 1.8 5.0 535 480 A 245 TYR HBx A 248 PHE HE% 1.0 1.8 5.0 536 481 A 266 PRO HDy A 248 PHE HE% 1.0 1.8 5.0 537 482 A 245 TYR HD% A 248 PHE HE% 1.0 1.8 5.0 538 483 A 228 GLN HE2x A 245 TYR HD% 1.0 1.8 5.0 539 484 A 226 PHE H A 245 TYR HD% 1.0 1.8 5.0 540 485 A 245 TYR HD% A 245 TYR HA 1.0 1.8 3.5 541 486 A 245 TYR HD% A 244 LYS HBx 1.0 1.8 5.0 542 486 A 244 LYS HBy A 245 TYR HD% 1.0 1.8 5.0 543 487 A 228 GLN HE2x A 245 TYR HE% 1.0 1.8 5.0 544 488 A 226 PHE HA A 245 TYR HE% 1.0 1.8 5.0 545 489 A 245 TYR HE% A 228 GLN HGx 1.0 1.8 5.0 546 489 A 228 GLN HGy A 245 TYR HE% 1.0 1.8 5.0 547 490 A 248 PHE H A 247 TRP HZ3 1.0 1.8 6.0 548 491 A 247 TRP HZ3 A 235 MET HBx 1.0 1.8 5.0 549 492 A 237 ALA HB% A 247 TRP HZ3 1.0 1.8 5.0 550 493 A 232 PHE HA A 232 PHE HD% 1.0 1.8 5.0 551 494 A 264 TYR HA A 264 TYR HD% 1.0 1.8 5.0 552 495 A 264 TYR HD% A 263 TRP HA 1.0 1.8 5.0 553 496 A 264 TYR HD% A 240 GLY HAy 1.0 1.8 5.0 554 497 A 264 TYR HD% A 240 GLY HAx 1.0 1.8 5.0 555 498 A 264 TYR HD% A 269 LYS HA 1.0 1.8 6.0 556 499 A 268 CYS HBy A 264 TYR HD% 1.0 1.8 5.0 557 500 A 268 CYS HBx A 264 TYR HD% 1.0 1.8 5.0 558 501 A 249 HIS HA A 250 TYR HD% 1.0 1.8 5.0 559 502 A 250 TYR HD% A 257 GLU HA 1.0 1.8 6.0 560 503 A 250 TYR HD% A 236 VAL HA 1.0 1.8 5.0 561 504 A 250 TYR HD% A 256 LYS HA 1.0 1.8 5.0 562 505 A 250 TYR HD% A 234 GLU HA 1.0 1.8 5.0 563 506 A 250 TYR HD% A 258 PRO HDx 1.0 1.8 6.0 564 507 A 250 TYR HD% A 236 VAL HB 1.0 1.8 5.0 565 508 A 253 VAL HGy% A 250 TYR HD% 1.0 1.8 5.0 566 509 A 250 TYR HD% A 255 LEU HBy 1.0 1.8 5.0 567 510 A 250 TYR HE% A 257 GLU HA 1.0 1.8 5.0 568 511 A 250 TYR HE% A 236 VAL HA 1.0 1.8 3.5 569 512 A 250 TYR HE% A 258 PRO HA 1.0 1.8 5.0 570 513 A 250 TYR HE% A 250 TYR HA 1.0 1.8 5.0 571 514 A 250 TYR HE% A 258 PRO HDy 1.0 1.8 6.0 572 515 A 250 TYR HE% A 236 VAL HB 1.0 1.8 3.5 573 516 A 250 TYR HE% A 255 LEU HBy 1.0 1.8 5.0 574 517 A 250 TYR HE% A 236 VAL HGx% 1.0 1.8 5.0 575 518 A 250 TYR HE% A 235 MET H 1.0 1.8 5.0 576 519 A 240 GLY HAy A 264 TYR HE% 1.0 1.8 5.0 577 520 A 240 GLY HAx A 264 TYR HE% 1.0 1.8 5.0 578 521 A 262 THR HB A 264 TYR HE% 1.0 1.8 5.0 579 522 A 226 PHE HA A 226 PHE HD% 1.0 1.8 5.0 580 523 A 222 THR HB A 224 TYR HE% 1.0 1.8 5.0 581 524 A 247 TRP HBy A 224 TYR HE% 1.0 1.8 5.0 582 525 A 222 THR HG2% A 224 TYR HE% 1.0 1.8 5.0 583 526 A 245 TYR HE% A 244 LYS HBx 1.0 1.8 5.0 584 526 A 244 LYS HBy A 245 TYR HE% 1.0 1.8 5.0 585 527 A 245 TYR HE% A 226 PHE HBx 1.0 1.8 5.0 586 527 A 226 PHE HBy A 245 TYR HE% 1.0 1.8 5.0 587 528 A 250 TYR HE% A 258 PRO HGx 1.0 1.8 5.0 588 528 A 250 TYR HE% A 258 PRO HGy 1.0 1.8 5.0 589 529 A 250 TYR HE% A 255 LEU HDx% 1.0 1.8 6.0 590 530 A 236 VAL HGy% A 250 TYR HE% 1.0 1.8 5.0 591 531 A 250 TYR HE% A 255 LEU HDy% 1.0 1.8 6.0 592 532 A 249 HIS HE1 A 229 ARG HBx 1.0 1.8 5.0 593 532 A 249 HIS HE1 A 229 ARG HBy 1.0 1.8 5.0 594 533 A 249 HIS HE1 A 225 CYS HBx 1.0 1.8 5.0 595 534 A 225 CYS HBy A 249 HIS HE1 1.0 1.8 5.0 596 535 A 249 HIS HE1 A 229 ARG H 1.0 1.8 5.0 597 536 A 249 HIS HE1 A 224 TYR H 1.0 1.8 5.0 598 537 A 252 CYS H A 249 HIS HD2 1.0 1.8 3.5 599 538 A 247 TRP HZ3 A 235 MET HBy 1.0 1.8 5.0 600 539 A 249 HIS HA A 249 HIS HD2 1.0 1.8 6.0 601 540 A 230 VAL HGy% A 232 PHE HD% 1.0 1.8 5.0 602 541 A 248 PHE HD% A 263 TRP HH2 1.0 1.8 5.0 603 542 A 248 PHE HE% A 245 TYR HA 1.0 1.8 6.0 604 543 A 265 CYS HBy A 248 PHE HE% 1.0 1.8 5.0 605 544 A 226 PHE HD% A 245 TYR HE% 1.0 1.8 5.0 606 545 A 249 HIS HE1 A 229 ARG HA 1.0 1.8 6.0 607 546 A 247 TRP H A 247 TRP HD1 1.0 1.8 5.0 608 547 A 247 TRP HD1 A 224 TYR HD% 1.0 1.8 5.0 609 548 A 247 TRP HD1 A 224 TYR HE% 1.0 1.8 5.0 610 549 A 247 TRP HBy A 247 TRP HD1 1.0 1.8 5.0 611 550 A 247 TRP HBx A 247 TRP HD1 1.0 1.8 5.0 612 551 A 237 ALA HB% A 247 TRP HZ2 1.0 1.8 5.0 613 552 A 237 ALA HB% A 247 TRP HH2 1.0 1.8 5.0 614 553 A 263 TRP HD1 A 259 PRO HGy 1.0 1.8 5.0 615 554 A 263 TRP HD1 A 259 PRO HBy 1.0 1.8 5.0 616 555 A 253 VAL HGx% A 263 TRP HE3 1.0 1.8 6.0 617 556 A 236 VAL HGy% A 263 TRP HH2 1.0 1.8 5.0 618 557 A 265 CYS HBy A 263 TRP HZ3 1.0 1.8 5.0 619 558 A 236 VAL HGy% A 263 TRP HZ3 1.0 1.8 5.0 620 559 A 263 TRP HZ3 A 236 VAL HGx% 1.0 1.8 5.0 621 560 A 224 TYR HA A 245 TYR HE% 1.0 1.8 5.0 622 561 A 228 GLN HE2y A 245 TYR HE% 1.0 1.8 5.0 623 562 A 225 CYS HA A 245 TYR HD% 1.0 1.8 5.0 624 563 A 264 TYR HD% A 262 THR HB 1.0 1.8 5.0 625 564 A 223 LEU HA A 224 TYR HD% 1.0 1.8 5.0 626 565 A 226 PHE HD% A 227 CYS HA 1.0 1.8 5.0 627 566 A 247 TRP HZ3 A 231 SER HBx 1.0 1.8 6.0 628 566 A 231 SER HBy A 247 TRP HZ3 1.0 1.8 6.0 629 567 A 237 ALA HB% A 247 TRP HD1 1.0 1.8 6.0 630 568 A 238 CYS HA A 263 TRP HE3 1.0 1.8 3.5 631 569 A 248 PHE HD% A 248 PHE HA 1.0 1.8 6.0 632 570 A 248 PHE HBy A 263 TRP HZ3 1.0 1.8 5.0 633 571 A 248 PHE HD% A 249 HIS H 1.0 1.8 5.0 634 572 A 252 CYS HBx A 248 PHE HD% 1.0 1.8 5.0 635 573 A 250 TYR HE% A 255 LEU HBx 1.0 1.8 5.0 636 574 A 265 CYS H A 263 TRP HZ3 1.0 1.8 5.0 637 575 A 222 THR HA A 223 LEU HBy 1.0 1.8 5.0 638 575 A 222 THR HA A 223 LEU HBx 1.0 1.8 5.0 639 576 A 223 LEU H A 223 LEU HBy 1.0 1.8 3.5 640 576 A 223 LEU H A 223 LEU HBx 1.0 1.8 3.5 641 577 A 223 LEU H A 223 LEU HDx% 1.0 1.8 5.0 642 577 A 223 LEU H A 223 LEU HDy% 1.0 1.8 5.0 643 578 A 223 LEU HA A 223 LEU HDx% 1.0 1.8 3.5 644 578 A 223 LEU HA A 223 LEU HDy% 1.0 1.8 3.5 645 579 A 224 TYR HD% A 223 LEU HBy 1.0 1.8 6.0 646 579 A 224 TYR HD% A 223 LEU HBx 1.0 1.8 6.0 647 580 A 228 GLN HBx A 223 LEU HBy 1.0 1.8 6.0 648 580 A 228 GLN HBx A 223 LEU HBx 1.0 1.8 6.0 649 581 A 224 TYR H A 223 LEU HDx% 1.0 1.8 5.0 650 581 A 224 TYR H A 223 LEU HDy% 1.0 1.8 5.0 651 582 A 224 TYR HD% A 223 LEU HDx% 1.0 1.8 6.0 652 582 A 224 TYR HD% A 223 LEU HDy% 1.0 1.8 6.0 653 583 A 228 GLN HA A 223 LEU HDx% 1.0 1.8 5.0 654 583 A 228 GLN HA A 223 LEU HDy% 1.0 1.8 5.0 655 584 A 229 ARG H A 223 LEU HDx% 1.0 1.8 5.0 656 584 A 229 ARG H A 223 LEU HDy% 1.0 1.8 5.0 657 585 A 229 ARG HA A 223 LEU HDx% 1.0 1.8 5.0 658 585 A 229 ARG HA A 223 LEU HDy% 1.0 1.8 5.0 659 586 A 230 VAL H A 223 LEU HDx% 1.0 1.8 5.0 660 586 A 230 VAL H A 223 LEU HDy% 1.0 1.8 5.0 661 587 A 230 VAL HA A 223 LEU HDx% 1.0 1.8 5.0 662 587 A 230 VAL HA A 223 LEU HDy% 1.0 1.8 5.0 663 588 A 230 VAL HGx% A 223 LEU HDx% 1.0 1.8 3.5 664 588 A 230 VAL HGx% A 223 LEU HDy% 1.0 1.8 3.5 665 589 A 229 ARG H A 229 ARG HGx 1.0 1.8 5.0 666 589 A 229 ARG H A 229 ARG HGy 1.0 1.8 5.0 667 590 A 229 ARG HA A 229 ARG HGx 1.0 1.8 5.0 668 590 A 229 ARG HA A 229 ARG HGy 1.0 1.8 5.0 669 591 A 230 VAL HGy% A 229 ARG HGx 1.0 1.8 5.0 670 591 A 230 VAL HGy% A 229 ARG HGy 1.0 1.8 5.0 671 592 A 230 VAL H A 229 ARG HDy 1.0 1.8 5.0 672 592 A 230 VAL H A 229 ARG HDx 1.0 1.8 5.0 673 593 A 230 VAL HGy% A 232 PHE HBy 1.0 1.8 5.0 674 593 A 230 VAL HGy% A 232 PHE HBx 1.0 1.8 5.0 675 594 A 233 GLY H A 232 PHE HBy 1.0 1.8 5.0 676 594 A 233 GLY H A 232 PHE HBx 1.0 1.8 5.0 677 595 A 234 GLU H A 232 PHE HBy 1.0 1.8 5.0 678 595 A 234 GLU H A 232 PHE HBx 1.0 1.8 5.0 679 596 A 232 PHE HD% A 233 GLY HAx 1.0 1.8 5.0 680 596 A 232 PHE HD% A 233 GLY HAy 1.0 1.8 5.0 681 597 A 234 GLU H A 233 GLY HAx 1.0 1.8 3.5 682 597 A 234 GLU H A 233 GLY HAy 1.0 1.8 3.5 683 598 A 234 GLU H A 234 GLU HBx 1.0 1.8 3.5 684 598 A 234 GLU H A 234 GLU HBy 1.0 1.8 3.5 685 599 A 234 GLU H A 234 GLU HGy 1.0 1.8 5.0 686 599 A 234 GLU H A 234 GLU HGx 1.0 1.8 5.0 687 600 A 234 GLU HA A 235 MET HGx 1.0 1.8 5.0 688 600 A 234 GLU HA A 235 MET HGy 1.0 1.8 5.0 689 601 A 235 MET H A 234 GLU HBx 1.0 1.8 5.0 690 601 A 235 MET H A 234 GLU HBy 1.0 1.8 5.0 691 602 A 250 TYR H A 234 GLU HBx 1.0 1.8 5.0 692 602 A 250 TYR H A 234 GLU HBy 1.0 1.8 5.0 693 603 A 234 GLU HBy A 250 TYR HBx 1.0 1.8 5.0 694 603 A 234 GLU HBx A 250 TYR HBx 1.0 1.8 5.0 695 603 A 250 TYR HBy A 234 GLU HBx 1.0 1.8 5.0 696 603 A 234 GLU HBy A 250 TYR HBy 1.0 1.8 5.0 697 604 A 250 TYR HD% A 234 GLU HBx 1.0 1.8 5.0 698 604 A 250 TYR HD% A 234 GLU HBy 1.0 1.8 5.0 699 605 A 250 TYR HE% A 234 GLU HBx 1.0 1.8 5.0 700 605 A 250 TYR HE% A 234 GLU HBy 1.0 1.8 5.0 701 606 A 235 MET H A 235 MET HBx 1.0 1.8 3.5 702 606 A 235 MET H A 235 MET HBy 1.0 1.8 3.5 703 607 A 235 MET HA A 250 TYR HBx 1.0 1.8 6.0 704 607 A 235 MET HA A 250 TYR HBy 1.0 1.8 6.0 705 608 A 247 TRP HZ3 A 235 MET HBx 1.0 1.8 3.5 706 608 A 247 TRP HZ3 A 235 MET HBy 1.0 1.8 3.5 707 609 A 247 TRP HE3 A 235 MET HGx 1.0 1.8 6.0 708 609 A 247 TRP HE3 A 235 MET HGy 1.0 1.8 6.0 709 610 A 247 TRP HZ3 A 235 MET HGx 1.0 1.8 6.0 710 610 A 247 TRP HZ3 A 235 MET HGy 1.0 1.8 6.0 711 611 A 247 TRP HH2 A 235 MET HGx 1.0 1.8 6.0 712 611 A 247 TRP HH2 A 235 MET HGy 1.0 1.8 6.0 713 612 A 236 VAL HB A 255 LEU HDx% 1.0 1.8 5.0 714 612 A 236 VAL HB A 255 LEU HDy% 1.0 1.8 5.0 715 613 A 236 VAL HGx% A 255 LEU HDx% 1.0 1.8 5.0 716 613 A 236 VAL HGx% A 255 LEU HDy% 1.0 1.8 5.0 717 614 A 236 VAL HGy% A 263 TRP HBx 1.0 1.8 5.0 718 614 A 236 VAL HGy% A 263 TRP HBy 1.0 1.8 5.0 719 615 A 238 CYS H A 238 CYS HBy 1.0 1.8 3.5 720 615 A 238 CYS H A 238 CYS HBx 1.0 1.8 3.5 721 616 A 238 CYS HA A 263 TRP HBx 1.0 1.8 5.0 722 616 A 238 CYS HA A 263 TRP HBy 1.0 1.8 5.0 723 617 A 240 GLY H A 238 CYS HBy 1.0 1.8 6.0 724 617 A 240 GLY H A 238 CYS HBx 1.0 1.8 6.0 725 618 A 263 TRP HE3 A 238 CYS HBy 1.0 1.8 5.0 726 618 A 263 TRP HE3 A 238 CYS HBx 1.0 1.8 5.0 727 619 A 263 TRP HZ3 A 238 CYS HBy 1.0 1.8 5.0 728 619 A 263 TRP HZ3 A 238 CYS HBx 1.0 1.8 5.0 729 620 A 265 CYS H A 238 CYS HBy 1.0 1.8 5.0 730 620 A 265 CYS H A 238 CYS HBx 1.0 1.8 5.0 731 621 A 239 ASP H A 239 ASP HBx 1.0 1.8 3.5 732 621 A 239 ASP H A 239 ASP HBy 1.0 1.8 3.5 733 622 A 240 GLY H A 239 ASP HBx 1.0 1.8 5.0 734 622 A 240 GLY H A 239 ASP HBy 1.0 1.8 5.0 735 623 A 263 TRP H A 239 ASP HBx 1.0 1.8 5.0 736 623 A 263 TRP H A 239 ASP HBy 1.0 1.8 5.0 737 624 A 242 ASN H A 241 PRO HBy 1.0 1.8 5.0 738 624 A 242 ASN H A 241 PRO HBx 1.0 1.8 5.0 739 625 A 242 ASN H A 241 PRO HGy 1.0 1.8 5.0 740 625 A 242 ASN H A 241 PRO HGx 1.0 1.8 5.0 741 626 A 242 ASN H A 241 PRO HDy 1.0 1.8 5.0 742 626 A 242 ASN H A 241 PRO HDx 1.0 1.8 5.0 743 627 A 264 TYR HE% A 241 PRO HDy 1.0 1.8 5.0 744 627 A 264 TYR HE% A 241 PRO HDx 1.0 1.8 5.0 745 628 A 242 ASN H A 242 ASN HBx 1.0 1.8 3.5 746 628 A 242 ASN H A 242 ASN HBy 1.0 1.8 3.5 747 629 A 242 ASN HBx A 242 ASN HD2y 1.0 1.8 3.5 748 629 A 242 ASN HBy A 242 ASN HD2y 1.0 1.8 3.5 749 629 A 242 ASN HD2x A 242 ASN HBx 1.0 1.8 3.5 750 629 A 242 ASN HBy A 242 ASN HD2x 1.0 1.8 3.5 751 630 A 244 LYS H A 244 LYS HGx 1.0 1.8 5.0 752 630 A 244 LYS H A 244 LYS HGy 1.0 1.8 5.0 753 631 A 244 LYS HA A 244 LYS HGx 1.0 1.8 5.0 754 631 A 244 LYS HA A 244 LYS HGy 1.0 1.8 5.0 755 632 A 245 TYR HD% A 244 LYS HGx 1.0 1.8 5.0 756 632 A 245 TYR HD% A 244 LYS HGy 1.0 1.8 5.0 757 633 A 245 TYR HE% A 244 LYS HGx 1.0 1.8 5.0 758 633 A 245 TYR HE% A 244 LYS HGy 1.0 1.8 5.0 759 634 A 245 TYR H A 246 GLU HGy 1.0 1.8 5.0 760 634 A 245 TYR H A 246 GLU HGx 1.0 1.8 5.0 761 635 A 246 GLU H A 246 GLU HGy 1.0 1.8 5.0 762 635 A 246 GLU H A 246 GLU HGx 1.0 1.8 5.0 763 636 A 249 HIS H A 249 HIS HBy 1.0 1.8 3.5 764 636 A 249 HIS H A 249 HIS HBx 1.0 1.8 3.5 765 637 A 249 HIS HE1 A 249 HIS HBy 1.0 1.8 5.0 766 637 A 249 HIS HE1 A 249 HIS HBx 1.0 1.8 5.0 767 638 A 250 TYR H A 249 HIS HBy 1.0 1.8 5.0 768 638 A 250 TYR H A 249 HIS HBx 1.0 1.8 5.0 769 639 A 251 ASP H A 249 HIS HBy 1.0 1.8 5.0 770 639 A 251 ASP H A 249 HIS HBx 1.0 1.8 5.0 771 640 A 249 HIS HBy A 251 ASP HBx 1.0 1.8 5.0 772 640 A 249 HIS HBx A 251 ASP HBx 1.0 1.8 5.0 773 640 A 251 ASP HBy A 249 HIS HBy 1.0 1.8 5.0 774 640 A 251 ASP HBy A 249 HIS HBx 1.0 1.8 5.0 775 641 A 252 CYS H A 249 HIS HBy 1.0 1.8 5.0 776 641 A 252 CYS H A 249 HIS HBx 1.0 1.8 5.0 777 642 A 252 CYS HBx A 249 HIS HBy 1.0 1.8 6.0 778 642 A 252 CYS HBx A 249 HIS HBx 1.0 1.8 6.0 779 643 A 250 TYR H A 250 TYR HBx 1.0 1.8 3.5 780 643 A 250 TYR H A 250 TYR HBy 1.0 1.8 3.5 781 644 A 250 TYR HA A 255 LEU HDx% 1.0 1.8 5.0 782 644 A 250 TYR HA A 255 LEU HDy% 1.0 1.8 5.0 783 645 A 251 ASP H A 250 TYR HBx 1.0 1.8 3.5 784 645 A 251 ASP H A 250 TYR HBy 1.0 1.8 3.5 785 646 A 255 LEU H A 250 TYR HBx 1.0 1.8 5.0 786 646 A 255 LEU H A 250 TYR HBy 1.0 1.8 5.0 787 647 A 250 TYR HD% A 255 LEU HBy 1.0 1.8 5.0 788 647 A 250 TYR HD% A 255 LEU HBx 1.0 1.8 5.0 789 648 A 250 TYR HD% A 255 LEU HDx% 1.0 1.8 5.0 790 648 A 250 TYR HD% A 255 LEU HDy% 1.0 1.8 5.0 791 649 A 250 TYR HE% A 255 LEU HDx% 1.0 1.8 5.0 792 649 A 250 TYR HE% A 255 LEU HDy% 1.0 1.8 5.0 793 650 A 253 VAL HB A 255 LEU HDx% 1.0 1.8 5.0 794 650 A 253 VAL HB A 255 LEU HDy% 1.0 1.8 5.0 795 651 A 253 VAL HGx% A 255 LEU HDx% 1.0 1.8 6.0 796 651 A 253 VAL HGx% A 255 LEU HDy% 1.0 1.8 6.0 797 652 A 253 VAL HGy% A 255 LEU HDx% 1.0 1.8 3.5 798 652 A 253 VAL HGy% A 255 LEU HDy% 1.0 1.8 3.5 799 653 A 254 ASN H A 254 ASN HBx 1.0 1.8 5.0 800 653 A 254 ASN H A 254 ASN HBy 1.0 1.8 5.0 801 654 A 255 LEU H A 255 LEU HBy 1.0 1.8 5.0 802 654 A 255 LEU H A 255 LEU HBx 1.0 1.8 5.0 803 655 A 255 LEU H A 255 LEU HDx% 1.0 1.8 5.0 804 655 A 255 LEU H A 255 LEU HDy% 1.0 1.8 5.0 805 656 A 255 LEU HA A 255 LEU HDx% 1.0 1.8 3.5 806 656 A 255 LEU HA A 255 LEU HDy% 1.0 1.8 3.5 807 657 A 257 GLU H A 255 LEU HBy 1.0 1.8 5.0 808 657 A 257 GLU H A 255 LEU HBx 1.0 1.8 5.0 809 658 A 256 LYS H A 255 LEU HDx% 1.0 1.8 5.0 810 658 A 256 LYS H A 255 LEU HDy% 1.0 1.8 5.0 811 659 A 257 GLU H A 255 LEU HDx% 1.0 1.8 5.0 812 659 A 257 GLU H A 255 LEU HDy% 1.0 1.8 5.0 813 660 A 258 PRO HA A 255 LEU HDx% 1.0 1.8 5.0 814 660 A 258 PRO HA A 255 LEU HDy% 1.0 1.8 5.0 815 661 A 259 PRO HDy A 255 LEU HDx% 1.0 1.8 6.0 816 661 A 259 PRO HDy A 255 LEU HDy% 1.0 1.8 6.0 817 662 A 259 PRO HDx A 255 LEU HDx% 1.0 1.8 5.0 818 662 A 259 PRO HDx A 255 LEU HDy% 1.0 1.8 5.0 819 663 A 263 TRP HD1 A 255 LEU HDx% 1.0 1.8 5.0 820 663 A 263 TRP HD1 A 255 LEU HDy% 1.0 1.8 5.0 821 664 A 263 TRP HE1 A 255 LEU HDx% 1.0 1.8 3.5 822 664 A 263 TRP HE1 A 255 LEU HDy% 1.0 1.8 3.5 823 665 A 263 TRP HH2 A 255 LEU HDx% 1.0 1.8 5.0 824 665 A 263 TRP HH2 A 255 LEU HDy% 1.0 1.8 5.0 825 666 A 256 LYS HBy A 256 LYS HDx 1.0 1.8 3.5 826 666 A 256 LYS HBx A 256 LYS HDx 1.0 1.8 3.5 827 666 A 256 LYS HDy A 256 LYS HBx 1.0 1.8 3.5 828 666 A 256 LYS HDy A 256 LYS HBy 1.0 1.8 3.5 829 667 A 257 GLU H A 256 LYS HBx 1.0 1.8 5.0 830 667 A 257 GLU H A 256 LYS HBy 1.0 1.8 5.0 831 668 A 256 LYS HBx A 257 GLU HGy 1.0 1.8 5.0 832 668 A 256 LYS HBy A 257 GLU HGy 1.0 1.8 5.0 833 668 A 257 GLU HGx A 256 LYS HBx 1.0 1.8 5.0 834 668 A 256 LYS HBy A 257 GLU HGx 1.0 1.8 5.0 835 669 A 258 PRO HDy A 257 GLU HBy 1.0 1.8 3.5 836 669 A 258 PRO HDy A 257 GLU HBx 1.0 1.8 3.5 837 670 A 259 PRO HDy A 258 PRO HBy 1.0 1.8 5.0 838 670 A 259 PRO HDy A 258 PRO HBx 1.0 1.8 5.0 839 671 A 259 PRO HDx A 258 PRO HBy 1.0 1.8 5.0 840 671 A 259 PRO HDx A 258 PRO HBx 1.0 1.8 5.0 841 672 A 260 LYS H A 259 PRO HBx 1.0 1.8 5.0 842 672 A 260 LYS H A 259 PRO HBy 1.0 1.8 5.0 843 673 A 259 PRO HGx A 263 TRP HBx 1.0 1.8 5.0 844 673 A 259 PRO HGx A 263 TRP HBy 1.0 1.8 5.0 845 674 A 260 LYS H A 260 LYS HBx 1.0 1.8 5.0 846 674 A 260 LYS H A 260 LYS HBy 1.0 1.8 5.0 847 675 A 260 LYS H A 260 LYS HGy 1.0 1.8 5.0 848 675 A 260 LYS H A 260 LYS HGx 1.0 1.8 5.0 849 676 A 260 LYS HBy A 260 LYS HDx 1.0 1.8 2.7 850 676 A 260 LYS HBx A 260 LYS HDx 1.0 1.8 2.7 851 676 A 260 LYS HDy A 260 LYS HBx 1.0 1.8 2.7 852 676 A 260 LYS HDy A 260 LYS HBy 1.0 1.8 2.7 853 677 A 261 GLY H A 260 LYS HBx 1.0 1.8 5.0 854 677 A 261 GLY H A 260 LYS HBy 1.0 1.8 5.0 855 678 A 263 TRP H A 263 TRP HBx 1.0 1.8 3.5 856 678 A 263 TRP H A 263 TRP HBy 1.0 1.8 3.5 857 679 A 263 TRP HD1 A 263 TRP HBx 1.0 1.8 3.5 858 679 A 263 TRP HD1 A 263 TRP HBy 1.0 1.8 3.5 859 680 A 263 TRP HE3 A 263 TRP HBx 1.0 1.8 3.5 860 680 A 263 TRP HE3 A 263 TRP HBy 1.0 1.8 3.5 861 681 A 264 TYR H A 263 TRP HBx 1.0 1.8 5.0 862 681 A 264 TYR H A 263 TRP HBy 1.0 1.8 5.0 863 682 A 267 GLU H A 266 PRO HGy 1.0 1.8 5.0 864 682 A 267 GLU H A 266 PRO HGx 1.0 1.8 5.0 865 683 A 267 GLU HA A 267 GLU HGy 1.0 1.8 5.0 866 683 A 267 GLU HA A 267 GLU HGx 1.0 1.8 5.0 867 684 A 268 CYS H A 267 GLU HGy 1.0 1.8 5.0 868 684 A 268 CYS H A 267 GLU HGx 1.0 1.8 5.0 869 685 A 269 LYS H A 269 LYS HGx 1.0 1.8 5.0 870 685 A 269 LYS H A 269 LYS HGy 1.0 1.8 5.0 871 686 A 270 ILE H A 269 LYS HGx 1.0 1.8 5.0 872 686 A 270 ILE H A 269 LYS HGy 1.0 1.8 5.0 873 687 A 270 ILE HA A 270 ILE HG1x 1.0 1.8 5.0 874 687 A 270 ILE HA A 270 ILE HG1y 1.0 1.8 5.0 875 688 A 270 ILE HG2% A 270 ILE HG1x 1.0 1.8 3.5 876 688 A 270 ILE HG2% A 270 ILE HG1y 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 222 THR C A 223 LEU N A 223 LEU CA A 223 LEU C 1.0 -168.2 -48.2 PHI 2 2 A 223 LEU N A 223 LEU CA A 223 LEU C A 224 TYR N 1.0 82.7 187.1 PSI 3 3 A 223 LEU C A 224 TYR N A 224 TYR CA A 224 TYR C 1.0 -164.0 -94.4 PHI 4 4 A 224 TYR N A 224 TYR CA A 224 TYR C A 225 CYS N 1.0 126.2 194.4 PSI 5 5 A 224 TYR C A 225 CYS N A 225 CYS CA A 225 CYS C 1.0 -186.6 -66.6 PHI 6 6 A 225 CYS N A 225 CYS CA A 225 CYS C A 226 PHE N 1.0 100.2 172.4 PSI 7 7 A 226 PHE C A 227 CYS N A 227 CYS CA A 227 CYS C 1.0 -120.5 -69.1 PHI 8 8 A 227 CYS N A 227 CYS CA A 227 CYS C A 228 GLN N 1.0 -29.3 31.7 PSI 9 9 A 228 GLN C A 229 ARG N A 229 ARG CA A 229 ARG C 1.0 -192.9 -72.9 PHI 10 10 A 229 ARG N A 229 ARG CA A 229 ARG C A 230 VAL N 1.0 137.3 190.9 PSI 11 11 A 229 ARG C A 230 VAL N A 230 VAL CA A 230 VAL C 1.0 -183.1 -63.1 PHI 12 12 A 230 VAL N A 230 VAL CA A 230 VAL C A 231 SER N 1.0 137.6 186.0 PSI 13 13 A 232 PHE C A 233 GLY N A 233 GLY CA A 233 GLY C 1.0 52.0 133.0 PHI 14 14 A 233 GLY N A 233 GLY CA A 233 GLY C A 234 GLU N 1.0 -17.5 35.5 PSI 15 15 A 233 GLY C A 234 GLU N A 234 GLU CA A 234 GLU C 1.0 -154.4 -34.4 PHI 16 16 A 234 GLU N A 234 GLU CA A 234 GLU C A 235 MET N 1.0 65.6 185.6 PSI 17 17 A 234 GLU C A 235 MET N A 235 MET CA A 235 MET C 1.0 -162.5 -66.9 PHI 18 18 A 235 MET N A 235 MET CA A 235 MET C A 236 VAL N 1.0 93.2 182.4 PSI 19 19 A 235 MET C A 236 VAL N A 236 VAL CA A 236 VAL C 1.0 -181.5 -88.3 PHI 20 20 A 236 VAL N A 236 VAL CA A 236 VAL C A 237 ALA N 1.0 126.4 184.0 PSI 21 21 A 236 VAL C A 237 ALA N A 237 ALA CA A 237 ALA C 1.0 -156.8 -36.8 PHI 22 22 A 237 ALA N A 237 ALA CA A 237 ALA C A 238 CYS N 1.0 84.4 204.4 PSI 23 23 A 237 ALA C A 238 CYS N A 238 CYS CA A 238 CYS C 1.0 -156.2 -36.2 PHI 24 24 A 238 CYS N A 238 CYS CA A 238 CYS C A 239 ASP N 1.0 105.4 151.0 PSI 25 25 A 238 CYS C A 239 ASP N A 239 ASP CA A 239 ASP C 1.0 -151.5 -31.5 PHI 26 26 A 239 ASP N A 239 ASP CA A 239 ASP C A 240 GLY N 1.0 95.8 164.6 PSI 27 27 A 239 ASP C A 240 GLY N A 240 GLY CA A 240 GLY C 1.0 -139.4 -19.4 PHI 28 28 A 240 GLY N A 240 GLY CA A 240 GLY C A 241 PRO N 1.0 90.1 180.1 PSI 29 29 A 241 PRO C A 242 ASN N A 242 ASN CA A 242 ASN C 1.0 -179.3 -59.3 PHI 30 30 A 242 ASN N A 242 ASN CA A 242 ASN C A 243 CYS N 1.0 64.6 184.6 PSI 31 31 A 243 CYS C A 244 LYS N A 244 LYS CA A 244 LYS C 1.0 -90.1 -42.7 PHI 32 32 A 244 LYS N A 244 LYS CA A 244 LYS C A 245 TYR N 1.0 -66.1 12.3 PSI 33 33 A 244 LYS C A 245 TYR N A 245 TYR CA A 245 TYR C 1.0 -110.9 -30.7 PHI 34 34 A 245 TYR N A 245 TYR CA A 245 TYR C A 246 GLU N 1.0 -69.8 20.2 PSI 35 35 A 245 TYR C A 246 GLU N A 246 GLU CA A 246 GLU C 1.0 -127.2 -49.8 PHI 36 36 A 246 GLU N A 246 GLU CA A 246 GLU C A 247 TRP N 1.0 -59.7 26.5 PSI 37 37 A 246 GLU C A 247 TRP N A 247 TRP CA A 247 TRP C 1.0 -173.5 -64.3 PHI 38 38 A 247 TRP N A 247 TRP CA A 247 TRP C A 248 PHE N 1.0 102.8 196.6 PSI 39 39 A 247 TRP C A 248 PHE N A 248 PHE CA A 248 PHE C 1.0 -163.0 -92.0 PHI 40 40 A 248 PHE N A 248 PHE CA A 248 PHE C A 249 HIS N 1.0 130.1 172.9 PSI 41 41 A 249 HIS C A 250 TYR N A 250 TYR CA A 250 TYR C 1.0 -81.2 -45.2 PHI 42 42 A 250 TYR N A 250 TYR CA A 250 TYR C A 251 ASP N 1.0 -57.1 -27.1 PSI 43 43 A 250 TYR C A 251 ASP N A 251 ASP CA A 251 ASP C 1.0 -80.3 -43.3 PHI 44 44 A 251 ASP N A 251 ASP CA A 251 ASP C A 252 CYS N 1.0 -58.4 -23.4 PSI 45 45 A 251 ASP C A 252 CYS N A 252 CYS CA A 252 CYS C 1.0 -86.9 -48.7 PHI 46 46 A 252 CYS N A 252 CYS CA A 252 CYS C A 253 VAL N 1.0 -58.2 -1.2 PSI 47 47 A 252 CYS C A 253 VAL N A 253 VAL CA A 253 VAL C 1.0 -124.5 -72.5 PHI 48 48 A 253 VAL N A 253 VAL CA A 253 VAL C A 254 ASN N 1.0 -34.8 47.8 PSI 49 49 A 253 VAL C A 254 ASN N A 254 ASN CA A 254 ASN C 1.0 25.8 93.2 PHI 50 50 A 254 ASN N A 254 ASN CA A 254 ASN C A 255 LEU N 1.0 2.3 69.9 PSI 51 51 A 256 LYS C A 257 GLU N A 257 GLU CA A 257 GLU C 1.0 -179.1 -61.5 PHI 52 52 A 257 GLU N A 257 GLU CA A 257 GLU C A 258 PRO N 1.0 67.3 187.3 PSI 53 53 A 260 LYS C A 261 GLY N A 261 GLY CA A 261 GLY C 1.0 119.5 239.5 PHI 54 54 A 261 GLY N A 261 GLY CA A 261 GLY C A 262 THR N 1.0 -236.2 -116.2 PSI 55 55 A 261 GLY C A 262 THR N A 262 THR CA A 262 THR C 1.0 -132.4 -49.8 PHI 56 56 A 262 THR N A 262 THR CA A 262 THR C A 263 TRP N 1.0 108.5 164.1 PSI 57 57 A 262 THR C A 263 TRP N A 263 TRP CA A 263 TRP C 1.0 -168.0 -48.0 PHI 58 58 A 263 TRP N A 263 TRP CA A 263 TRP C A 264 TYR N 1.0 104.5 150.9 PSI 59 59 A 263 TRP C A 264 TYR N A 264 TYR CA A 264 TYR C 1.0 -168.8 -70.6 PHI 60 60 A 264 TYR N A 264 TYR CA A 264 TYR C A 265 CYS N 1.0 99.7 166.5 PSI 61 61 A 264 TYR C A 265 CYS N A 265 CYS CA A 265 CYS C 1.0 -129.6 -27.8 PHI 62 62 A 265 CYS N A 265 CYS CA A 265 CYS C A 266 PRO N 1.0 77.6 185.8 PSI 63 63 A 266 PRO C A 267 GLU N A 267 GLU CA A 267 GLU C 1.0 -100.0 -44.0 PHI 64 64 A 267 GLU N A 267 GLU CA A 267 GLU C A 268 CYS N 1.0 -64.4 -2.6 PSI 65 65 A 267 GLU C A 268 CYS N A 268 CYS CA A 268 CYS C 1.0 -85.0 -46.0 PHI 66 66 A 268 CYS N A 268 CYS CA A 268 CYS C A 269 LYS N 1.0 -61.0 -31.0 PSI 67 67 A 268 CYS C A 269 LYS N A 269 LYS CA A 269 LYS C 1.0 -134.9 -41.5 PHI 68 68 A 269 LYS N A 269 LYS CA A 269 LYS C A 270 ILE N 1.0 -62.0 42.2 PSI 69 69 A 269 LYS C A 270 ILE N A 270 ILE CA A 270 ILE C 1.0 -142.8 -22.8 PHI 70 70 A 270 ILE N A 270 ILE CA A 270 ILE C A 271 GLU N 1.0 -70.0 50.0 PSI 71 71 A 270 ILE C A 271 GLU N A 271 GLU CA A 271 GLU C 1.0 -142.9 -39.1 PHI stop_ save_