data_nef_c17543_2lb1 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 BMRB 17541 BMRB 17542 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 2 14 PRO C 2 15 NH2 N 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 279 LEU start . . 2 A 280 GLY middle . false 3 A 281 PRO middle . false 4 A 282 LEU middle . . 5 A 283 PRO middle . false 6 A 284 PRO middle . false 7 A 285 GLY middle . false 8 A 286 TRP middle . . 9 A 287 GLU middle . . 10 A 288 VAL middle . . 11 A 289 ARG middle . . 12 A 290 SER middle . . 13 A 291 THR middle . . 14 A 292 VAL middle . . 15 A 293 SER middle . . 16 A 294 GLY middle . false 17 A 295 ARG middle . . 18 A 296 ILE middle . . 19 A 297 TYR middle . . 20 A 298 PHE middle . . 21 A 299 VAL middle . . 22 A 300 ASP middle . . 23 A 301 HIS middle . . 24 A 302 ASN middle . . 25 A 303 ASN middle . . 26 A 304 ARG middle . . 27 A 305 THR middle . . 28 A 306 THR middle . . 29 A 307 GLN middle . . 30 A 308 PHE middle . . 31 A 309 THR middle . . 32 A 310 ASP middle . . 33 A 311 PRO middle . false 34 A 312 ARG middle . . 35 A 313 LEU middle . . 36 A 314 HIS end . . 37 B 220 ALA start . . 38 B 221 ASP middle . . 39 B 222 THR middle . . 40 B 223 PRO middle . false 41 B 224 PRO middle . false 42 B 225 PRO middle . false 43 B 226 ALA middle . . 44 B 227 TYR middle . . 45 B 228 LEU middle . . 46 B 229 PRO middle . false 47 B 230 PRO middle . false 48 B 231 GLU middle . . 49 B 232 ASP middle . . 50 B 233 PRO middle . false 51 B 234 NH2 end . . 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 279 LEU H1 H 1 8.183 0.000 A 279 LEU HA H 1 4.046 0.000 A 279 LEU HBx H 1 1.381 0.000 A 279 LEU HD1% H 1 0.602 0.000 A 279 LEU HD2% H 1 0.522 0.000 A 279 LEU HG H 1 1.170 0.000 A 279 LEU CA C 13 56.450 0.000 A 279 LEU CB C 13 36.395 0.000 A 280 GLY H H 1 8.122 0.000 A 280 GLY HA2 H 1 3.782 0.000 A 280 GLY HA3 H 1 3.854 0.000 A 280 GLY CA C 13 42.336 0.000 A 280 GLY N N 15 120.651 0.000 A 281 PRO HA H 1 3.960 0.000 A 281 PRO CA C 13 59.569 0.024 A 281 PRO CB C 13 30.083 0.000 A 282 LEU H H 1 7.702 0.000 A 282 LEU HA H 1 4.301 0.000 A 282 LEU HBy H 1 1.179 0.000 A 282 LEU HBx H 1 0.824 0.000 A 282 LEU HD1% H 1 0.591 0.002 A 282 LEU HD2% H 1 0.557 0.000 A 282 LEU HG H 1 0.858 0.009 A 282 LEU CA C 13 56.960 0.000 A 282 LEU CB C 13 36.954 0.000 A 282 LEU N N 15 129.781 0.000 A 283 PRO HA H 1 4.499 0.000 A 283 PRO HBy H 1 2.192 0.000 A 283 PRO HBx H 1 1.681 0.000 A 283 PRO HDy H 1 3.668 0.000 A 283 PRO HDx H 1 3.467 0.000 A 283 PRO HGy H 1 1.456 0.000 A 283 PRO HGx H 1 1.060 0.000 A 284 PRO HA H 1 4.249 0.000 A 284 PRO HB2 H 1 2.190 0.000 A 284 PRO HB3 H 1 1.876 0.000 A 284 PRO HD2 H 1 3.456 0.000 A 284 PRO HD3 H 1 3.327 0.000 A 284 PRO HG2 H 1 1.247 0.000 A 284 PRO HG3 H 1 1.853 0.000 A 284 PRO CA C 13 61.369 0.000 A 284 PRO CB C 13 29.545 0.000 A 285 GLY H H 1 8.834 0.000 A 285 GLY HAx H 1 3.593 0.000 A 285 GLY HAy H 1 4.056 0.000 A 285 GLY CA C 13 43.296 0.000 A 285 GLY N N 15 112.747 0.000 A 286 TRP H H 1 7.512 0.000 A 286 TRP HA H 1 5.823 0.000 A 286 TRP HBy H 1 3.063 0.000 A 286 TRP HBx H 1 2.869 0.000 A 286 TRP HD1 H 1 6.861 0.000 A 286 TRP HE1 H 1 9.993 0.000 A 286 TRP HE3 H 1 6.998 0.000 A 286 TRP HH2 H 1 6.464 0.000 A 286 TRP HZ2 H 1 7.157 0.002 A 286 TRP HZ3 H 1 6.819 0.000 A 286 TRP CA C 13 53.543 0.000 A 286 TRP CB C 13 29.026 0.000 A 286 TRP N N 15 117.696 0.000 A 287 GLU H H 1 9.279 0.000 A 287 GLU HA H 1 4.565 0.000 A 287 GLU HB2 H 1 1.852 0.000 A 287 GLU HB3 H 1 1.780 0.012 A 287 GLU HG2 H 1 2.459 0.004 A 287 GLU HG3 H 1 1.985 0.007 A 287 GLU CA C 13 52.401 0.000 A 287 GLU CB C 13 32.816 0.000 A 287 GLU N N 15 121.050 0.007 A 288 VAL H H 1 8.343 0.000 A 288 VAL HA H 1 4.342 0.000 A 288 VAL HB H 1 1.597 0.000 A 288 VAL HG1% H 1 0.599 0.000 A 288 VAL HG2% H 1 0.561 0.000 A 288 VAL CA C 13 58.377 0.000 A 288 VAL N N 15 124.537 0.000 A 289 ARG H H 1 8.146 0.000 A 289 ARG HA H 1 4.246 0.001 A 289 ARG HBy H 1 1.208 0.000 A 289 ARG HBx H 1 0.583 0.005 A 289 ARG HDy H 1 3.037 0.000 A 289 ARG HDx H 1 2.842 0.000 A 289 ARG HGy H 1 0.833 0.000 A 289 ARG HGx H 1 -0.102 0.000 A 290 SER H H 1 7.932 0.000 A 290 SER HA H 1 5.389 0.000 A 290 SER HB2 H 1 3.419 0.002 A 290 SER HB3 H 1 3.366 0.000 A 291 THR H H 1 9.241 0.000 A 291 THR HA H 1 4.539 0.000 A 291 THR HG2% H 1 1.232 0.000 A 292 VAL H H 1 8.922 0.000 A 292 VAL HA H 1 3.754 0.000 A 292 VAL HB H 1 1.999 0.000 A 292 VAL HG1% H 1 0.855 0.000 A 292 VAL HG2% H 1 0.819 0.000 A 292 VAL CA C 13 62.652 0.000 A 292 VAL CB C 13 28.897 0.000 A 293 SER H H 1 7.624 0.004 A 293 SER HA H 1 4.232 0.000 A 293 SER HBx H 1 4.078 0.000 A 293 SER CA C 13 55.559 0.005 A 293 SER CB C 13 60.874 0.000 A 293 SER N N 15 113.260 0.032 A 294 GLY H H 1 7.834 0.000 A 294 GLY HA2 H 1 3.463 0.000 A 294 GLY HA3 H 1 4.101 0.000 A 294 GLY CA C 13 42.824 0.000 A 294 GLY N N 15 110.888 0.000 A 295 ARG H H 1 7.749 0.000 A 295 ARG HA H 1 4.220 0.000 A 295 ARG HBy H 1 1.442 0.000 A 295 ARG HBx H 1 1.214 0.000 A 295 ARG HDy H 1 2.746 0.000 A 295 ARG HDx H 1 2.568 0.000 A 295 ARG HGy H 1 1.798 0.000 A 295 ARG HGx H 1 1.569 0.000 A 295 ARG CA C 13 54.983 0.000 A 295 ARG CB C 13 27.527 0.000 A 295 ARG N N 15 124.746 0.000 A 296 ILE H H 1 7.600 0.000 A 296 ILE HA H 1 4.406 0.000 A 296 ILE HB H 1 1.571 0.000 A 296 ILE HD1% H 1 0.421 0.000 A 296 ILE HG1y H 1 1.353 0.000 A 296 ILE HG1x H 1 0.798 0.000 A 296 ILE HG2% H 1 0.617 0.000 A 296 ILE CA C 13 55.933 0.000 A 296 ILE CB C 13 35.766 0.000 A 296 ILE N N 15 122.118 0.000 A 297 TYR H H 1 8.638 0.000 A 297 TYR HA H 1 4.679 0.000 A 297 TYR HB2 H 1 2.696 0.000 A 297 TYR HB3 H 1 2.331 0.000 A 297 TYR HD2 H 1 6.611 0.000 A 297 TYR HE2 H 1 6.112 0.000 A 298 PHE H H 1 8.897 0.000 A 298 PHE HA H 1 4.965 0.000 A 298 PHE HB2 H 1 3.082 0.000 A 298 PHE HB3 H 1 2.866 0.000 A 298 PHE HDy H 1 7.164 0.013 A 298 PHE HEy H 1 7.119 0.000 A 298 PHE HZ H 1 6.997 0.003 A 299 VAL H H 1 9.228 0.000 A 299 VAL HA H 1 4.105 0.000 A 299 VAL HB H 1 1.529 0.001 A 299 VAL HG1% H 1 0.466 0.000 A 299 VAL HG2% H 1 0.133 0.000 A 299 VAL CA C 13 59.727 0.000 A 299 VAL CB C 13 30.245 0.000 A 300 ASP H H 1 7.882 0.001 A 300 ASP HA H 1 3.312 0.000 A 300 ASP HBy H 1 2.025 0.003 A 300 ASP HBx H 1 -0.226 0.000 A 300 ASP CA C 13 52.375 0.000 A 300 ASP CB C 13 37.672 0.005 A 300 ASP N N 15 127.696 0.000 A 301 HIS H H 1 8.519 0.000 A 301 HIS HA H 1 4.136 0.000 A 301 HIS HBy H 1 3.084 0.000 A 301 HIS HBx H 1 2.829 0.000 A 301 HIS HD1 H 1 7.144 0.002 A 301 HIS HD2 H 1 6.667 0.007 A 301 HIS HE1 H 1 7.513 0.000 A 301 HIS CA C 13 56.486 0.000 A 301 HIS CB C 13 27.660 0.000 A 302 ASN H H 1 8.329 0.000 A 302 ASN HA H 1 4.180 0.000 A 302 ASN HBy H 1 2.821 0.000 A 302 ASN HBx H 1 2.387 0.000 A 302 ASN HD2y H 1 7.421 0.000 A 302 ASN HD2x H 1 6.430 0.000 A 302 ASN CA C 13 53.087 0.000 A 302 ASN CB C 13 35.556 0.009 A 302 ASN N N 15 116.817 0.000 A 303 ASN H H 1 6.422 0.001 A 303 ASN HA H 1 4.411 0.000 A 303 ASN HB2 H 1 2.399 0.000 A 303 ASN HB3 H 1 2.004 0.000 A 303 ASN HD2y H 1 8.248 0.000 A 303 ASN HD2x H 1 6.763 0.000 A 303 ASN CA C 13 50.371 0.003 A 303 ASN CB C 13 37.553 0.000 A 303 ASN N N 15 113.744 0.000 A 304 ARG H H 1 7.429 0.000 A 304 ARG HA H 1 1.995 0.000 A 304 ARG HB2 H 1 1.633 0.000 A 304 ARG HD2 H 1 2.836 0.000 A 304 ARG HGy H 1 0.857 0.000 A 304 ARG HGx H 1 0.808 0.000 A 304 ARG CA C 13 53.934 0.000 A 304 ARG CB C 13 23.007 0.000 A 304 ARG N N 15 117.602 0.000 A 305 THR H H 1 7.199 0.024 A 305 THR HA H 1 4.531 0.009 A 305 THR HB H 1 3.945 0.002 A 305 THR HG2% H 1 0.748 0.000 A 305 THR CA C 13 56.380 0.000 A 305 THR CB C 13 70.399 0.000 A 305 THR N N 15 107.334 0.000 A 306 THR H H 1 7.982 0.000 A 306 THR HA H 1 5.280 0.000 A 306 THR HB H 1 3.910 0.000 A 306 THR HG2% H 1 0.957 0.000 A 306 THR CA C 13 59.016 0.000 A 306 THR CB C 13 67.237 0.000 A 307 GLN H H 1 7.903 0.000 A 307 GLN HA H 1 4.654 0.000 A 307 GLN HBy H 1 2.280 0.000 A 307 GLN HBx H 1 2.027 0.000 A 307 GLN HGy H 1 2.617 0.000 A 307 GLN HGx H 1 2.396 0.000 A 307 GLN CA C 13 54.866 0.000 A 307 GLN CB C 13 27.590 0.000 A 307 GLN N N 15 127.696 0.000 A 308 PHE H H 1 8.083 0.000 A 308 PHE HA H 1 4.887 0.000 A 308 PHE HBy H 1 3.357 0.000 A 308 PHE HBx H 1 2.773 0.000 A 308 PHE HDy H 1 7.428 0.000 A 308 PHE HEy H 1 6.914 0.000 A 308 PHE CA C 13 59.253 0.000 A 308 PHE CB C 13 36.091 0.000 A 308 PHE N N 15 128.493 0.000 A 309 THR H H 1 7.231 0.000 A 309 THR HA H 1 4.123 0.000 A 309 THR HB H 1 3.751 0.000 A 309 THR HG2% H 1 0.938 0.000 A 310 ASP H H 1 8.346 0.000 A 310 ASP HA H 1 2.514 0.000 A 310 ASP HB2 H 1 2.351 0.000 A 310 ASP HBy H 1 2.351 0.000 A 310 ASP HBx H 1 1.971 0.000 A 311 PRO HA H 1 3.696 0.000 A 311 PRO HBy H 1 0.689 0.000 A 311 PRO HBx H 1 0.577 0.002 A 311 PRO HD2 H 1 2.352 0.000 A 311 PRO HGy H 1 0.285 0.000 A 311 PRO HGx H 1 -0.031 0.000 A 312 ARG H H 1 8.394 0.000 A 312 ARG HA H 1 3.675 0.000 A 312 ARG HBy H 1 0.897 0.000 A 312 ARG HBx H 1 0.883 0.000 A 312 ARG HD2 H 1 2.539 0.004 A 312 ARG HE H 1 8.632 0.007 A 312 ARG HG2 H 1 1.565 0.000 A 312 ARG HG3 H 1 1.458 0.012 A 313 LEU H H 1 6.912 0.004 A 313 LEU HA H 1 3.952 0.007 A 313 LEU HBy H 1 1.240 0.000 A 313 LEU HBx H 1 1.167 0.000 A 313 LEU HDx% H 1 0.683 0.000 A 313 LEU HD2% H 1 0.547 0.000 A 313 LEU HG H 1 1.357 0.000 B 221 ASP H H 1 8.287 0.000 B 221 ASP HA H 1 4.426 0.000 B 221 ASP HBy H 1 2.466 0.003 B 221 ASP HBx H 1 2.392 0.000 B 222 THR H H 1 7.852 0.000 B 222 THR HA H 1 4.325 0.000 B 222 THR HB H 1 3.894 0.000 B 222 THR HG2% H 1 1.052 0.000 B 223 PRO HA H 1 4.562 0.000 B 223 PRO HBx H 1 2.110 0.000 B 223 PRO HDy H 1 3.665 0.000 B 223 PRO HDx H 1 3.472 0.000 B 223 PRO HGy H 1 1.777 0.000 B 224 PRO HA H 1 3.857 0.000 B 224 PRO HBy H 1 1.435 0.000 B 224 PRO HBx H 1 0.415 0.000 B 224 PRO HDy H 1 3.049 0.000 B 224 PRO HDx H 1 2.498 0.000 B 224 PRO HGy H 1 1.554 0.000 B 224 PRO HGx H 1 1.262 0.077 B 225 PRO HA H 1 4.313 0.000 B 225 PRO HBy H 1 2.127 0.000 B 225 PRO HBx H 1 1.198 0.000 B 225 PRO HDy H 1 3.463 0.000 B 225 PRO HDx H 1 3.282 0.000 B 225 PRO HGy H 1 1.776 0.000 B 225 PRO HGx H 1 1.531 0.073 B 226 ALA H H 1 7.963 0.000 B 226 ALA HA H 1 3.871 0.000 B 226 ALA HB% H 1 1.092 0.000 B 227 TYR H H 1 8.466 0.000 B 227 TYR HA H 1 4.315 0.000 B 227 TYR HBy H 1 2.423 0.000 B 227 TYR HBx H 1 2.370 0.000 B 227 TYR HDy H 1 6.541 0.000 B 227 TYR HEy H 1 6.303 0.000 B 228 LEU HA H 1 4.327 0.000 B 228 LEU HBy H 1 1.253 0.000 B 228 LEU HBx H 1 1.250 0.000 B 228 LEU HDx% H 1 0.642 0.005 B 228 LEU HG H 1 1.169 0.000 B 229 PRO HA H 1 4.318 0.000 B 229 PRO HBx H 1 2.155 0.000 B 229 PRO HDy H 1 3.470 0.000 B 229 PRO HDx H 1 3.353 0.000 B 229 PRO HGy H 1 1.725 0.000 B 229 PRO HGx H 1 1.644 0.000 B 230 PRO HA H 1 4.028 0.000 B 230 PRO HBx H 1 1.540 0.000 B 230 PRO HBy H 1 1.713 0.000 B 230 PRO HDy H 1 3.464 0.000 B 230 PRO HDx H 1 3.295 0.000 B 230 PRO HGx H 1 1.651 0.000 B 231 GLU H H 1 8.611 0.000 B 231 GLU HA H 1 3.937 0.000 B 231 GLU HBy H 1 2.035 0.000 B 231 GLU HBx H 1 1.705 0.000 B 231 GLU HGx H 1 1.799 0.000 B 232 ASP H H 1 7.813 0.000 B 232 ASP HA H 1 4.117 0.002 B 232 ASP HBy H 1 2.398 0.003 B 232 ASP HBx H 1 2.309 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 286 TRP HA A 287 GLU H 1.0 2.03404615385 5.59435384615 2 2 A 286 TRP HA A 300 ASP HA 1.0 2.15141538462 6.49418461538 3 3 A 286 TRP HA A 301 HIS H 1.0 2.12076923077 6.25923076923 4 4 A 287 GLU H A 286 TRP HBy 1.0 2.09773846154 6.08266153846 5 5 A 287 GLU H A 286 TRP HBx 1.0 2.08553076923 5.98906923077 6 6 A 294 GLY HA2 A 295 ARG H 1.0 2.06840769231 5.85779230769 7 7 A 295 ARG HA A 296 ILE H 1.0 1.91141538462 4.65418461538 8 8 A 307 GLN HA A 308 PHE H 1.0 2.08186153846 5.96093846154 9 9 A 306 THR HB A 307 GLN H 1.0 2.09268461538 6.04391538462 10 10 A 307 GLN H A 306 THR HA 1.0 2.01731538462 5.46608461538 11 11 A 298 PHE HA A 289 ARG H 1.0 2.11809230769 6.23870769231 12 12 A 307 GLN H A 306 THR HG2% 1.0 2.18360769231 6.74099230769 13 13 A 305 THR HA A 306 THR H 1.0 1.96587692308 5.07172307692 14 14 A 306 THR HA A 300 ASP H 1.0 2.07911538462 5.93988461538 15 15 A 300 ASP H A 299 VAL HA 1.0 1.97238461538 5.12161538462 16 16 A 300 ASP HA A 301 HIS H 1.0 2.04810000000 5.70210000000 17 17 A 298 PHE HA A 299 VAL H 1.0 2.01678461538 5.46201538462 18 18 A 300 ASP H A 299 VAL HG2% 1.0 2.13722307692 6.38537692308 19 19 A 300 ASP H A 299 VAL HG1% 1.0 2.17601538462 6.68278461538 20 20 A 301 HIS HA A 302 ASN H 1.0 2.06356153846 5.82063846154 21 21 A 299 VAL HG1% A 297 TYR HE% 1.0 2.10300000000 6.12300000000 22 22 A 299 VAL HG2% A 297 TYR HE% 1.0 2.24755384615 7.23124615385 23 23 A 299 VAL HG1% A 297 TYR HD% 1.0 2.15916923077 6.55363076923 24 24 A 297 TYR HB2 A 298 PHE H 1.0 2.14710000000 6.46110000000 25 25 A 298 PHE H A 297 TYR HB3 1.0 2.11320000000 6.20120000000 26 26 A 308 PHE HA A 309 THR H 1.0 2.14843846154 6.47136153846 27 27 A 299 VAL H A 288 VAL HA 1.0 2.15153076923 6.49506923077 28 28 A 296 ILE HA A 290 SER HA 1.0 2.11933846154 6.24826153846 29 29 A 290 SER HA A 297 TYR H 1.0 2.09280000000 6.04480000000 30 30 A 290 SER HA A 291 THR H 1.0 2.04858461538 5.70581538462 31 31 A 298 PHE HA A 288 VAL HG1% 1.0 2.30187692308 7.64772307692 32 32 A 298 PHE HA A 288 VAL HG2% 1.0 2.18513076923 6.75266923077 33 33 A 300 ASP HBx A 298 PHE HD% 1.0 2.20714615385 6.92145384615 34 34 A 289 ARG HBx A 290 SER H 1.0 2.17419230769 6.66880769231 35 35 A 285 GLY HAy A 286 TRP H 1.0 2.09550000000 6.06550000000 36 36 A 284 PRO HA A 285 GLY H 1.0 1.97210769231 5.11949230769 37 37 A 295 ARG H A 294 GLY H 1.0 2.04175384615 5.65344615385 38 38 A 295 ARG H A 291 THR H 1.0 2.09817692308 6.08602307692 39 39 A 297 TYR H A 296 ILE HG1x 1.0 2.10293076923 6.12246923077 40 40 A 297 TYR H A 296 ILE HG1y 1.0 2.05571538462 5.76048461538 41 41 A 296 ILE H A 295 ARG HBy 1.0 1.98927692308 5.25112307692 42 42 A 296 ILE H A 295 ARG HGy 1.0 1.98256153846 5.19963846154 43 43 A 295 ARG H A 294 GLY HA3 1.0 2.11266923077 6.19713076923 44 44 A 309 THR HB A 310 ASP H 1.0 2.04362307692 5.66777692308 45 45 A 310 ASP H A 309 THR HA 1.0 1.87001538462 4.33678461538 46 46 A 310 ASP H A 309 THR HG2% 1.0 2.08391538462 5.97668461538 47 47 A 296 ILE HA A 297 TYR H 1.0 2.01433846154 5.44326153846 48 48 A 297 TYR H A 296 ILE HG2% 1.0 2.11530000000 6.21730000000 49 49 A 297 TYR H A 296 ILE HD1% 1.0 2.08151538462 5.95828461538 50 50 A 306 THR HG2% A 297 TYR HE% 1.0 2.15522307692 6.52337692308 51 51 A 297 TYR HE% A 291 THR HG2% 1.0 2.16279230769 6.58140769231 52 52 A 297 TYR HD% A 291 THR HG2% 1.0 2.11680000000 6.22880000000 53 53 A 290 SER H A 289 ARG HBy 1.0 2.08707692308 6.00092307692 54 54 A 306 THR H A 305 THR HG2% 1.0 2.11645384615 6.22614615385 55 55 A 297 TYR HD% A 290 SER HA 1.0 2.12203846154 6.26896153846 56 56 A 297 TYR HE% A 290 SER HA 1.0 2.15160000000 6.49560000000 57 57 A 306 THR HA A 297 TYR HD% 1.0 2.18935384615 6.78504615385 58 58 A 286 TRP HA A 298 PHE HE% 1.0 2.16004615385 6.56035384615 59 59 A 313 LEU H A 312 ARG HA 1.0 2.03753076923 5.62106923077 60 60 A 298 PHE HE% A 311 PRO HBx 1.0 2.08160769231 5.95899230769 61 61 A 295 ARG HGy A 308 PHE HE% 1.0 2.15049230769 6.48710769231 62 62 A 308 PHE HE% A 295 ARG HDy 1.0 2.07336923077 5.89583076923 63 63 A 296 ILE HG2% A 286 TRP HZ3 1.0 2.08326923077 5.97173076923 64 64 A 302 ASN HBy A 303 ASN H 1.0 2.09116153846 6.03223846154 65 65 A 303 ASN H A 302 ASN HBx 1.0 2.05248461538 5.73571538462 66 66 A 303 ASN HB3 A 304 ARG H 1.0 2.20772307692 6.92587692308 67 67 A 304 ARG H A 303 ASN HB2 1.0 2.30081538462 7.63958461538 68 68 A 304 ARG H A 303 ASN HA 1.0 2.11890000000 6.24490000000 69 69 A 291 THR HA A 292 VAL H 1.0 2.13939230769 6.40200769231 70 70 A 297 TYR HD% A 291 THR H 1.0 2.19413076923 6.82166923077 71 71 A 297 TYR HE% A 291 THR H 1.0 2.21106923077 6.95153076923 72 72 A 299 VAL H A 298 PHE HD% 1.0 2.21058461538 6.94781538462 73 73 A 299 VAL H A 298 PHE HE% 1.0 2.17950000000 6.70950000000 74 74 A 297 TYR HD% A 289 ARG HBy 1.0 2.08682307692 5.99897692308 75 75 A 288 VAL HB A 298 PHE HZ 1.0 2.01690000000 5.46290000000 76 76 A 299 VAL HG2% A 301 HIS HE1 1.0 2.18446153846 6.74753846154 77 77 A 289 ARG H A 288 VAL HG1% 1.0 2.12914615385 6.32345384615 78 78 A 289 ARG H A 288 VAL HG1% 1.0 2.12914615385 6.32345384615 79 79 A 289 ARG H A 288 VAL HB 1.0 2.08539230769 5.98800769231 80 80 A 290 SER HA A 296 ILE HG2% 1.0 2.25027692308 7.25212307692 81 81 A 290 SER HA A 296 ILE HD1% 1.0 2.21748461538 7.00071538462 82 82 A 297 TYR HE% A 289 ARG HGy 1.0 2.16078461538 6.56601538462 83 83 A 306 THR HG2% A 297 TYR HD% 1.0 2.16863076923 6.62616923077 84 84 A 297 TYR HD% A 299 VAL HB 1.0 2.21356153846 6.97063846154 85 85 A 299 VAL HG2% A 297 TYR HD% 1.0 2.25267692308 7.27052307692 86 86 A 311 PRO HBx A 310 ASP HA 1.0 1.94739230769 4.93000769231 87 87 A 310 ASP HA A 311 PRO HGy 1.0 2.14742307692 6.46357692308 88 88 A 310 ASP HA A 311 PRO HGx 1.0 2.12192307692 6.26807692308 89 89 A 298 PHE HE% A 311 PRO HGx 1.0 2.17804615385 6.69835384615 90 90 A 311 PRO HGx A 286 TRP HH2 1.0 2.17105384615 6.64474615385 91 91 A 296 ILE HG2% A 298 PHE HE% 1.0 2.14336153846 6.43243846154 92 92 A 296 ILE HG1x A 298 PHE HE% 1.0 2.18416153846 6.74523846154 93 93 A 296 ILE HG1y A 298 PHE HZ 1.0 2.11606153846 6.22313846154 94 94 A 288 VAL HG1% A 298 PHE HZ 1.0 2.01304615385 5.43335384615 95 95 A 288 VAL HG1% A 298 PHE HD% 1.0 2.19830769231 6.85369230769 96 96 A 296 ILE HD1% A 298 PHE HZ 1.0 2.06448461538 5.82771538462 97 97 A 296 ILE HG1x A 298 PHE HZ 1.0 2.03358461538 5.59081538462 98 98 A 298 PHE HZ A 286 TRP HE3 1.0 1.25000000000 2.25000000000 99 99 A 289 ARG HBx A 290 SER HB3 1.0 2.14373076923 6.43526923077 100 100 A 296 ILE HD1% A 290 SER HB3 1.0 2.23151538462 7.10828461538 101 101 A 296 ILE HD1% A 290 SER HB2 1.0 2.22641538462 7.06918461538 102 102 A 306 THR HA A 299 VAL HG1% 1.0 2.21007692308 6.94392307692 103 103 A 306 THR HA A 299 VAL HG2% 1.0 2.22939230769 7.09200769231 104 104 A 290 SER HA A 296 ILE HG2% 1.0 2.21946923077 7.01593076923 105 105 A 290 SER HA A 296 ILE HD1% 1.0 2.17354615385 6.66385384615 106 106 A 300 ASP HBx A 286 TRP HZ3 1.0 2.17548461538 6.67871538462 107 107 A 286 TRP HZ3 A 311 PRO HGx 1.0 2.13930000000 6.40130000000 108 108 A 306 THR HA A 299 VAL HA 1.0 2.14149230769 6.41810769231 109 109 A 286 TRP HA A 300 ASP HA 1.0 2.14689230769 6.45950769231 110 110 A 297 TYR HE% B 224 PRO HA 1.0 2.20449230769 6.90110769231 111 111 A 308 PHE HE% B 222 THR HG2% 1.0 2.19786923077 6.85033076923 112 112 A 308 PHE HE% B 222 THR HA 1.0 2.30637692308 7.68222307692 113 113 A 306 THR HB A 297 TYR HD% 1.0 2.11405384615 6.20774615385 114 114 A 283 PRO HBy A 286 TRP HE1 1.0 2.14089230769 6.41350769231 115 115 A 306 THR HG2% A 299 VAL HG2% 1.0 2.24037692308 7.17622307692 116 116 A 299 VAL HG1% A 289 ARG HBy 1.0 2.14315384615 6.43084615385 117 117 A 290 SER H A 289 ARG HA 1.0 1.96393846154 5.05686153846 118 118 A 296 ILE HG2% A 290 SER HB2 1.0 2.19069230769 6.79530769231 119 119 A 299 VAL HG1% B 227 TYR HBx 1.0 2.35063846154 8.02156153846 120 120 A 299 VAL HG1% B 227 TYR HBy 1.0 2.38795384615 8.30764615385 121 121 A 289 ARG HBx B 227 TYR HBy 1.0 2.14624615385 6.45455384615 122 122 A 299 VAL HG1% A 289 ARG HBx 1.0 1.98147692308 5.19132307692 123 123 A 289 ARG H A 288 VAL HA 1.0 1.97933076923 5.17486923077 124 124 A 279 LEU HA A 280 GLY H 1.0 1.91743846154 4.70036153846 125 125 A 296 ILE HG2% A 298 PHE HZ 1.0 2.05290000000 5.73890000000 126 126 A 298 PHE HZ A 310 ASP HBx 1.0 2.09803846154 6.08496153846 127 127 A 298 PHE HZ A 310 ASP HBy 1.0 2.02843846154 5.55136153846 128 128 A 298 PHE HZ A 310 ASP HA 1.0 2.02460769231 5.52199230769 129 129 A 298 PHE HD% A 307 GLN HBx 1.0 2.17613076923 6.68366923077 130 130 A 298 PHE HD% A 310 ASP HA 1.0 2.16902307692 6.62917692308 131 131 A 298 PHE HD% A 310 ASP HBy 1.0 2.17606153846 6.68313846154 132 132 A 298 PHE HE% A 310 ASP HBy 1.0 2.10800769231 6.16139230769 133 133 A 298 PHE HE% A 310 ASP HA 1.0 2.12503846154 6.29196153846 134 134 A 298 PHE HE% A 310 ASP HBx 1.0 2.15049230769 6.48710769231 135 135 A 298 PHE HD% A 310 ASP HA 1.0 2.16902307692 6.62917692308 136 136 A 298 PHE HE% A 310 ASP HBy 1.0 2.16025384615 6.56194615385 137 137 A 287 GLU HA A 288 VAL H 1.0 2.10750000000 6.15750000000 138 138 A 311 PRO HGy A 312 ARG H 1.0 2.15321538462 6.50798461538 139 139 A 311 PRO HGx A 312 ARG H 1.0 2.16990000000 6.63590000000 140 140 A 286 TRP HA A 301 HIS HD2 1.0 2.19394615385 6.82025384615 141 141 A 301 HIS HD2 A 287 GLU HG2 1.0 2.20077692308 6.87262307692 142 142 A 301 HIS HD2 A 287 GLU HB3 1.0 2.11430769231 6.20969230769 143 143 A 299 VAL HG1% A 287 GLU HG2 1.0 2.33623846154 7.91116153846 144 144 A 299 VAL HG1% A 287 GLU HB3 1.0 2.19366923077 6.81813076923 145 145 A 299 VAL HG2% A 287 GLU HB3 1.0 2.23557692308 7.13942307692 146 146 A 302 ASN H A 303 ASN H 1.0 2.05211538462 5.73288461538 147 147 A 303 ASN H A 304 ARG H 1.0 2.25200769231 7.26539230769 148 148 A 297 TYR HB3 A 308 PHE HE% 1.0 2.13936923077 6.40183076923 149 149 A 297 TYR HB3 A 308 PHE HD% 1.0 2.12589230769 6.29850769231 150 150 A 308 PHE HD% B 224 PRO HDy 1.0 2.29850769231 7.62189230769 151 151 A 308 PHE HE% B 224 PRO HDx 1.0 2.21058461538 6.94781538462 152 152 A 308 PHE HD% B 224 PRO HDx 1.0 2.31523846154 7.75016153846 153 153 A 286 TRP HH2 A 298 PHE HB2 1.0 2.05211538462 5.73288461538 154 154 A 286 TRP HH2 A 298 PHE HB3 1.0 2.02663846154 5.53756153846 155 155 A 286 TRP HH2 A 307 GLN HGy 1.0 2.08082307692 5.95297692308 156 156 A 310 ASP HA A 286 TRP HH2 1.0 2.11040769231 6.17979230769 157 157 A 286 TRP HH2 A 307 GLN HGx 1.0 2.12506153846 6.29213846154 158 158 A 286 TRP HH2 A 307 GLN HBx 1.0 2.10964615385 6.17395384615 159 159 A 286 TRP HZ3 A 307 GLN HGx 1.0 2.05158461538 5.72881538462 160 160 A 286 TRP HZ3 A 311 PRO HA 1.0 2.14384615385 6.43615384615 161 161 A 303 ASN H A 302 ASN HA 1.0 2.16371538462 6.58848461538 162 162 A 306 THR HA A 299 VAL HA 1.0 2.13696923077 6.38343076923 163 163 A 283 PRO HBy A 286 TRP HD1 1.0 2.03640000000 5.61240000000 164 164 A 286 TRP HD1 A 283 PRO HGx 1.0 2.02022307692 5.48837692308 165 165 A 286 TRP HD1 A 283 PRO HGy 1.0 2.06026153846 5.79533846154 166 166 A 308 PHE HE% A 295 ARG HDx 1.0 2.11899230769 6.24560769231 167 167 A 295 ARG HBy A 308 PHE HE% 1.0 2.08596923077 5.99243076923 168 168 A 308 PHE HE% A 295 ARG HBx 1.0 2.01392307692 5.44007692308 169 169 A 291 THR HG2% A 308 PHE HE% 1.0 2.08416923077 5.97863076923 170 170 A 301 HIS H A 302 ASN H 1.0 2.04290769231 5.66229230769 171 171 B 227 TYR HBy A 304 ARG HGy 1.0 2.29813846154 7.61906153846 172 172 B 227 TYR HBx A 304 ARG HGy 1.0 2.28320769231 7.50459230769 173 173 B 227 TYR HBx A 289 ARG HGx 1.0 2.32080000000 7.79280000000 174 174 A 310 ASP HA A 311 PRO HD2 1.0 1.95627692308 4.99812307692 175 175 A 305 THR HG2% A 303 ASN HB2 1.0 2.09187692308 6.03772307692 176 176 A 305 THR HG2% A 303 ASN HB3 1.0 2.09875384615 6.09044615385 177 177 A 297 TYR HB3 A 308 PHE HA 1.0 2.13696923077 6.38343076923 178 178 A 298 PHE H A 297 TYR HA 1.0 2.05008461538 5.71731538462 179 179 A 301 HIS H A 300 ASP HBx 1.0 2.20423846154 6.89916153846 180 180 A 280 GLY H A 279 LEU HBx 1.0 2.02433076923 5.51986923077 181 181 A 280 GLY H A 279 LEU HG 1.0 2.06037692308 5.79622307692 182 182 A 280 GLY H A 279 LEU HD2% 1.0 2.08195384615 5.96164615385 183 183 A 280 GLY H A 279 LEU HD1% 1.0 2.14218461538 6.42341538462 184 184 A 302 ASN H A 301 HIS HBy 1.0 2.16807692308 6.62192307692 185 185 A 313 LEU H A 312 ARG H 1.0 2.00937692308 5.40522307692 186 186 A 304 ARG HA A 305 THR H 1.0 2.05850769231 5.78189230769 187 187 A 305 THR H A 304 ARG HGx 1.0 1.99917692308 5.32702307692 188 188 A 304 ARG HGy A 305 THR H 1.0 2.18476153846 6.74983846154 189 189 A 307 GLN H A 299 VAL HA 1.0 2.14843846154 6.47136153846 190 190 A 286 TRP H A 285 GLY H 1.0 2.09734615385 6.07965384615 191 191 A 287 GLU H A 286 TRP H 1.0 2.17112307692 6.64527692308 192 192 A 296 ILE HA A 291 THR H 1.0 2.17105384615 6.64474615385 193 193 A 301 HIS HD2 A 287 GLU HG3 1.0 2.13043846154 6.33336153846 194 194 A 301 HIS HD2 A 287 GLU HB2 1.0 2.12540769231 6.29479230769 195 195 A 288 VAL H A 287 GLU HG3 1.0 1.93433076923 4.82986923077 196 196 A 289 ARG H A 288 VAL HG2% 1.0 2.05740000000 5.77340000000 197 197 A 290 SER H A 289 ARG HGy 1.0 2.12753076923 6.31106923077 198 198 A 291 THR H A 290 SER HB2 1.0 2.13120000000 6.33920000000 199 199 A 291 THR H A 290 SER HB3 1.0 2.08696153846 6.00003846154 200 200 A 289 ARG H A 297 TYR H 1.0 2.06695384615 5.84664615385 201 201 A 290 SER HA A 291 THR HG2% 1.0 2.15612307692 6.53027692308 202 202 A 298 PHE HA A 299 VAL HG2% 1.0 2.26077692308 7.33262307692 203 203 A 298 PHE HA A 299 VAL HB 1.0 2.13378461538 6.35901538462 204 204 A 286 TRP HZ3 A 298 PHE HB2 1.0 1.98138461538 5.19061538462 205 205 A 286 TRP HZ3 A 298 PHE HB3 1.0 1.95154615385 4.96185384615 206 206 A 286 TRP HZ3 A 310 ASP HA 1.0 2.00556923077 5.37603076923 207 207 A 286 TRP HH2 A 307 GLN HBy 1.0 2.04350769231 5.66689230769 208 208 A 286 TRP HZ3 A 307 GLN HBy 1.0 2.01408461538 5.44131538462 209 209 A 286 TRP HZ3 A 311 PRO HGy 1.0 2.16648461538 6.60971538462 210 210 A 308 PHE HE% B 222 THR HB 1.0 2.16565384615 6.60334615385 211 211 A 287 GLU H A 299 VAL HB 1.0 2.09104615385 6.03135384615 212 212 A 287 GLU H A 299 VAL HG1% 1.0 2.20698461538 6.92021538462 213 213 A 297 TYR HE% A 289 ARG HA 1.0 2.19062307692 6.79477692308 214 214 A 283 PRO HA A 284 PRO HD2 1.0 1.93564615385 4.83995384615 215 215 A 283 PRO HA A 284 PRO HD3 1.0 2.00328461538 5.35851538462 216 216 A 282 LEU HA A 283 PRO HDx 1.0 1.83918461538 4.10041538462 217 217 A 282 LEU HA A 283 PRO HDy 1.0 1.89027692308 4.49212307692 218 218 A 301 HIS HE1 B 230 PRO HDx 1.0 2.18563846154 6.75656153846 219 219 A 301 HIS HE1 B 229 PRO HA 1.0 2.34436153846 7.97343846154 220 220 A 299 VAL HG1% A 287 GLU HB2 1.0 2.20887692308 6.93472307692 221 221 A 299 VAL HG1% A 287 GLU HB2 1.0 2.20887692308 6.93472307692 222 222 A 308 PHE HD% B 224 PRO HGy 1.0 2.11774615385 6.23605384615 223 223 A 308 PHE HD% B 224 PRO HBy 1.0 2.10265384615 6.12034615385 224 224 A 308 PHE HD% B 224 PRO HGx 1.0 2.08938461538 6.01861538462 225 225 A 308 PHE HD% B 224 PRO HBx 1.0 2.21880000000 7.01080000000 226 226 A 308 PHE HE% B 224 PRO HGy 1.0 2.12886923077 6.32133076923 227 227 A 308 PHE HE% B 224 PRO HGx 1.0 1.99767692308 5.31552307692 228 228 A 308 PHE HE% B 223 PRO HA 1.0 2.16318461538 6.58441538462 229 229 A 308 PHE HE% B 225 PRO HDy 1.0 2.17190769231 6.65129230769 230 230 A 308 PHE HE% B 225 PRO HDx 1.0 2.22110769231 7.02849230769 231 231 A 301 HIS HE1 B 230 PRO HDy 1.0 2.19738461538 6.84661538462 232 232 A 301 HIS HE1 B 230 PRO HGx 1.0 2.17880769231 6.70419230769 233 233 A 301 HIS HE1 B 230 PRO HBx 1.0 2.15930769231 6.55469230769 234 234 A 308 PHE HD% B 225 PRO HDy 1.0 2.11135384615 6.18704615385 235 235 A 301 HIS HE1 B 230 PRO HA 1.0 2.10925384615 6.17094615385 236 236 A 299 VAL HG1% A 289 ARG HGy 1.0 2.11827692308 6.24012307692 237 237 A 309 THR H A 307 GLN HBx 1.0 2.04000000000 5.64000000000 238 238 A 309 THR H A 308 PHE HBx 1.0 2.12263846154 6.27356153846 239 239 A 297 TYR HD% A 298 PHE H 1.0 2.15621538462 6.53098461538 240 240 A 299 VAL H A 298 PHE HB2 1.0 2.16417692308 6.59202307692 241 241 A 299 VAL H A 298 PHE HB3 1.0 2.12086153846 6.25993846154 242 242 A 298 PHE H A 286 TRP HZ3 1.0 2.05823076923 5.77976923077 243 243 A 299 VAL H A 286 TRP HZ3 1.0 2.13240000000 6.34840000000 244 244 A 296 ILE H A 297 TYR H 1.0 2.04833076923 5.70386923077 245 245 A 299 VAL H A 298 PHE H 1.0 2.23151538462 7.10828461538 246 246 A 300 ASP H A 299 VAL H 1.0 2.25350769231 7.27689230769 247 247 A 298 PHE H A 297 TYR H 1.0 2.17146923077 6.64793076923 248 248 A 301 HIS H A 300 ASP H 1.0 2.17636153846 6.68543846154 249 249 A 300 ASP H A 305 THR H 1.0 2.23040769231 7.09979230769 250 250 A 297 TYR HD% A 308 PHE HA 1.0 2.22362307692 7.04777692308 251 251 A 297 TYR HD% A 296 ILE HA 1.0 2.11843846154 6.24136153846 252 252 A 297 TYR HE% A 296 ILE HA 1.0 2.23640769231 7.14579230769 253 253 A 297 TYR H A 298 PHE HZ 1.0 2.16669230769 6.61130769231 254 254 A 307 GLN H A 306 THR H 1.0 2.16258461538 6.57981538462 255 255 A 301 HIS H B 227 TYR HE% 1.0 2.27466923077 7.43913076923 256 256 A 300 ASP H B 227 TYR HE% 1.0 2.27949230769 7.47610769231 257 257 A 281 PRO HA A 282 LEU H 1.0 1.79651538462 3.77328461538 258 258 A 286 TRP HE1 A 283 PRO HBx 1.0 2.05996153846 5.79303846154 259 259 A 294 GLY H A 293 SER HA 1.0 2.11629230769 6.22490769231 260 260 A 297 TYR HE% A 289 ARG HGx 1.0 2.15967692308 6.55752307692 261 261 A 290 SER H A 289 ARG HGx 1.0 2.06610000000 5.84010000000 262 262 A 295 ARG HGy A 291 THR HG2% 1.0 2.14885384615 6.47454615385 263 263 A 295 ARG HGy A 291 THR HG2% 1.0 2.14885384615 6.47454615385 264 264 A 291 THR HG2% A 295 ARG HGx 1.0 2.04198461538 5.65521538462 265 265 A 291 THR HG2% A 289 ARG HGx 1.0 2.16521538462 6.59998461538 266 266 A 286 TRP HE1 A 283 PRO HGy 1.0 2.13567692308 6.37352307692 267 267 A 286 TRP HE1 A 283 PRO HGx 1.0 2.10115384615 6.10884615385 268 268 A 286 TRP HD1 A 283 PRO HBx 1.0 1.93089230769 4.80350769231 269 269 A 298 PHE HE% A 282 LEU HBy 1.0 2.21695384615 6.99664615385 270 270 A 298 PHE HE% A 282 LEU HBx 1.0 2.18960769231 6.78699230769 271 271 A 298 PHE HE% A 282 LEU HD1% 1.0 2.13533076923 6.37086923077 272 272 A 298 PHE HZ A 282 LEU HD1% 1.0 1.98876923077 5.24723076923 273 273 A 296 ILE HG2% A 298 PHE HE% 1.0 2.19777692308 6.84962307692 274 274 A 296 ILE HG1y A 298 PHE HE% 1.0 2.19491538462 6.82768461538 275 275 A 296 ILE HD1% A 298 PHE HE% 1.0 2.15146153846 6.49453846154 276 276 A 292 VAL HA A 293 SER H 1.0 2.10401538462 6.13078461538 277 277 A 293 SER H A 292 VAL HB 1.0 1.99246153846 5.27553846154 278 278 A 291 THR HG2% A 292 VAL H 1.0 2.20343076923 6.89296923077 279 279 A 309 THR HG2% A 286 TRP HZ3 1.0 2.22572307692 7.06387692308 280 280 A 309 THR HG2% A 298 PHE HE% 1.0 2.24787692308 7.23372307692 281 281 A 298 PHE HD% A 307 GLN HBy 1.0 2.16221538462 6.57698461538 282 282 A 309 THR H A 307 GLN HBy 1.0 2.11901538462 6.24578461538 283 283 A 309 THR H A 307 GLN HGx 1.0 2.08564615385 5.98995384615 stop_ save_