data_nef_c25734_5aaq 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 25735 PDB 5aaq 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 1 ZN ZN 1 58 HIS NE2 2 1 ZN ZN 1 39 CYS SG 2 1 ZN ZN 1 54 HIS NE2 2 1 ZN ZN 1 36 CYS SG 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 387 GLY start . false 2 A 388 SER middle . . 3 A 389 PRO middle . false 4 A 390 SER middle . . 5 A 391 PRO middle . false 6 A 392 LEU middle . . 7 A 393 SER middle . . 8 A 394 ILE middle . . 9 A 395 LYS middle . . 10 A 396 LYS middle . . 11 A 397 CYS middle . . 12 A 398 PRO middle . false 13 A 399 ILE middle . . 14 A 400 CYS middle . . 15 A 401 LYS middle . . 16 A 402 ALA middle . . 17 A 403 ASP middle . . 18 A 404 ASP middle . . 19 A 405 ILE middle . . 20 A 406 CYS middle . . 21 A 407 ASP middle . . 22 A 408 HIS middle . . 23 A 409 THR middle . . 24 A 410 LEU middle . . 25 A 411 GLU middle . . 26 A 412 GLN middle . . 27 A 413 GLN middle . . 28 A 414 GLN middle . . 29 A 415 MET middle . . 30 A 416 GLN middle . . 31 A 417 PRO middle . false 32 A 418 LEU middle . . 33 A 419 CYS middle . . 34 A 420 PHE middle . . 35 A 421 ASN middle . . 36 A 422 CYS middle -HG . 37 A 423 PRO middle . false 38 A 424 ILE middle . . 39 A 425 CYS middle -HG . 40 A 426 ASP middle . . 41 A 427 LYS middle . . 42 A 428 ILE middle . . 43 A 429 PHE middle . . 44 A 430 PRO middle . false 45 A 431 ALA middle . . 46 A 432 THR middle . . 47 A 433 GLU middle . . 48 A 434 LYS middle . . 49 A 435 GLN middle . . 50 A 436 ILE middle . . 51 A 437 PHE middle . . 52 A 438 GLU middle . . 53 A 439 ASP middle . . 54 A 440 HIS middle -HE2 . 55 A 441 VAL middle . . 56 A 442 PHE middle . . 57 A 443 CYS middle . . 58 A 444 HIS middle -HE2 . 59 A 445 SER middle . . 60 A 446 LEU end . . 61 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 390 SER H1 H 1 8.438 0.01 A 390 SER HA H 1 4.700 0.01 A 390 SER HB2 H 1 3.811 0.01 A 390 SER HB3 H 1 3.811 0.01 A 391 PRO HA H 1 4.392 0.01 A 391 PRO HBx H 1 1.881 0.01 A 391 PRO HBy H 1 2.252 0.01 A 391 PRO HDx H 1 3.691 0.01 A 391 PRO HDy H 1 3.781 0.01 A 391 PRO HG2 H 1 1.964 0.01 A 391 PRO HG3 H 1 1.964 0.01 A 391 PRO C C 13 176.850 0.10 A 391 PRO CA C 13 63.310 0.10 A 391 PRO CB C 13 32.040 0.10 A 392 LEU H H 1 8.215 0.01 A 392 LEU HA H 1 4.269 0.01 A 392 LEU HB2 H 1 1.557 0.01 A 392 LEU HB3 H 1 1.557 0.01 A 392 LEU HDx% H 1 0.875 0.01 A 392 LEU HDy% H 1 0.827 0.01 A 392 LEU HG H 1 1.619 0.01 A 392 LEU C C 13 177.380 0.10 A 392 LEU CA C 13 55.210 0.10 A 392 LEU CB C 13 42.110 0.10 A 392 LEU N N 15 120.940 0.10 A 393 SER H H 1 8.167 0.01 A 393 SER HA H 1 4.404 0.01 A 393 SER HB2 H 1 3.797 0.01 A 393 SER HB3 H 1 3.797 0.01 A 393 SER C C 13 174.120 0.10 A 393 SER CA C 13 58.050 0.10 A 393 SER CB C 13 63.630 0.10 A 393 SER N N 15 116.190 0.10 A 394 ILE H H 1 8.042 0.01 A 394 ILE HA H 1 4.137 0.01 A 394 ILE HB H 1 1.807 0.01 A 394 ILE HD1% H 1 0.807 0.01 A 394 ILE HG1y H 1 1.398 0.01 A 394 ILE HG1x H 1 1.132 0.01 A 394 ILE HG2% H 1 0.839 0.01 A 394 ILE C C 13 175.850 0.10 A 394 ILE CA C 13 60.800 0.10 A 394 ILE CB C 13 38.740 0.10 A 394 ILE N N 15 122.450 0.10 A 395 LYS H H 1 8.372 0.01 A 395 LYS HA H 1 4.292 0.01 A 395 LYS HBy H 1 1.758 0.01 A 395 LYS HBx H 1 1.675 0.01 A 395 LYS HD2 H 1 1.626 0.01 A 395 LYS HD3 H 1 1.626 0.01 A 395 LYS HE2 H 1 2.935 0.01 A 395 LYS HE3 H 1 2.935 0.01 A 395 LYS HGx H 1 1.336 0.01 A 395 LYS HGy H 1 1.384 0.01 A 395 LYS C C 13 175.730 0.10 A 395 LYS CA C 13 55.890 0.10 A 395 LYS CB C 13 33.060 0.10 A 395 LYS N N 15 125.860 0.10 A 396 LYS H H 1 8.299 0.01 A 396 LYS HA H 1 4.330 0.01 A 396 LYS HB2 H 1 1.629 0.01 A 396 LYS HB3 H 1 1.629 0.01 A 396 LYS HD2 H 1 1.406 0.01 A 396 LYS HD3 H 1 1.406 0.01 A 396 LYS HE2 H 1 2.943 0.01 A 396 LYS HE3 H 1 2.943 0.01 A 396 LYS HG2 H 1 1.315 0.01 A 396 LYS HG3 H 1 1.315 0.01 A 396 LYS C C 13 175.680 0.10 A 396 LYS CA C 13 55.500 0.10 A 396 LYS CB C 13 33.610 0.10 A 396 LYS N N 15 123.000 0.10 A 397 CYS H H 1 8.637 0.01 A 397 CYS HA H 1 4.537 0.01 A 397 CYS HBx H 1 2.939 0.01 A 397 CYS HBy H 1 3.143 0.01 A 397 CYS C C 13 175.720 0.10 A 397 CYS CA C 13 56.770 0.10 A 397 CYS CB C 13 31.160 0.10 A 397 CYS N N 15 126.710 0.10 A 398 PRO HA H 1 4.481 0.01 A 398 PRO HBy H 1 2.240 0.01 A 398 PRO HBx H 1 1.953 0.01 A 398 PRO HDx H 1 3.900 0.01 A 398 PRO HDy H 1 3.991 0.01 A 398 PRO HGx H 1 1.866 0.01 A 398 PRO HGy H 1 2.074 0.01 A 398 PRO C C 13 176.450 0.10 A 398 PRO CA C 13 63.760 0.10 A 398 PRO CB C 13 32.170 0.10 A 399 ILE H H 1 8.899 0.01 A 399 ILE HA H 1 3.873 0.01 A 399 ILE HB H 1 1.190 0.01 A 399 ILE HD1% H 1 0.380 0.01 A 399 ILE HG1y H 1 1.168 0.01 A 399 ILE HG1x H 1 0.820 0.01 A 399 ILE HG2% H 1 0.624 0.01 A 399 ILE C C 13 177.130 0.10 A 399 ILE CA C 13 63.070 0.10 A 399 ILE CB C 13 39.490 0.10 A 399 ILE CD1 C 13 10.870 0.10 A 399 ILE CG2 C 13 15.720 0.10 A 399 ILE N N 15 122.610 0.10 A 400 CYS H H 1 8.346 0.01 A 400 CYS HA H 1 4.549 0.01 A 400 CYS HBx H 1 2.940 0.01 A 400 CYS HBy H 1 3.016 0.01 A 400 CYS CA C 13 60.070 0.10 A 400 CYS CB C 13 28.660 0.10 A 400 CYS N N 15 122.420 0.10 A 401 LYS HA H 1 4.054 0.01 A 401 LYS C C 13 176.680 0.10 A 402 ALA H H 1 8.244 0.01 A 402 ALA HA H 1 4.127 0.01 A 402 ALA HB% H 1 1.409 0.01 A 402 ALA C C 13 177.700 0.10 A 402 ALA CA C 13 53.870 0.10 A 402 ALA CB C 13 19.500 0.10 A 402 ALA N N 15 122.120 0.10 A 403 ASP H H 1 8.338 0.01 A 403 ASP HA H 1 4.613 0.01 A 403 ASP HBx H 1 2.638 0.01 A 403 ASP HBy H 1 2.662 0.01 A 403 ASP C C 13 175.840 0.10 A 403 ASP CA C 13 54.020 0.10 A 403 ASP CB C 13 40.550 0.10 A 403 ASP N N 15 115.630 0.10 A 404 ASP H H 1 7.691 0.01 A 404 ASP HA H 1 4.592 0.01 A 404 ASP HB2 H 1 2.708 0.01 A 404 ASP HB3 H 1 2.708 0.01 A 404 ASP C C 13 175.800 0.10 A 404 ASP CA C 13 54.090 0.10 A 404 ASP CB C 13 41.810 0.10 A 404 ASP N N 15 119.640 0.10 A 405 ILE H H 1 8.453 0.01 A 405 ILE HA H 1 4.055 0.01 A 405 ILE HB H 1 1.767 0.01 A 405 ILE HD1% H 1 0.816 0.01 A 405 ILE HG1y H 1 1.474 0.01 A 405 ILE HG1x H 1 1.151 0.01 A 405 ILE HG2% H 1 0.784 0.01 A 405 ILE C C 13 175.050 0.10 A 405 ILE CA C 13 60.810 0.10 A 405 ILE CB C 13 37.540 0.10 A 405 ILE N N 15 120.690 0.10 A 407 ASP H H 1 7.961 0.01 A 407 ASP HA H 1 4.620 0.01 A 407 ASP HB2 H 1 2.424 0.01 A 407 ASP HB3 H 1 2.424 0.01 A 407 ASP C C 13 176.430 0.10 A 407 ASP CA C 13 53.310 0.10 A 407 ASP CB C 13 40.460 0.10 A 408 HIS H H 1 9.129 0.01 A 408 HIS HA H 1 4.617 0.01 A 408 HIS HB2 H 1 3.144 0.01 A 408 HIS HB3 H 1 3.144 0.01 A 408 HIS HD2 H 1 7.145 0.01 A 408 HIS HE1 H 1 7.893 0.01 A 408 HIS C C 13 176.270 0.10 A 408 HIS CA C 13 59.130 0.10 A 408 HIS CB C 13 31.110 0.10 A 408 HIS N N 15 122.190 0.10 A 409 THR H H 1 8.444 0.01 A 409 THR HA H 1 4.298 0.01 A 409 THR HB H 1 4.442 0.01 A 409 THR HG2% H 1 1.252 0.01 A 409 THR C C 13 175.160 0.10 A 409 THR CA C 13 61.680 0.10 A 409 THR CB C 13 70.040 0.10 A 409 THR N N 15 115.160 0.10 A 410 LEU H H 1 8.498 0.01 A 410 LEU HA H 1 4.149 0.01 A 410 LEU HBx H 1 1.535 0.01 A 410 LEU HBy H 1 1.631 0.01 A 410 LEU HDx% H 1 0.879 0.01 A 410 LEU HDy% H 1 0.827 0.01 A 410 LEU HG H 1 1.592 0.01 A 410 LEU C C 13 178.460 0.10 A 410 LEU CA C 13 56.760 0.10 A 410 LEU CB C 13 41.710 0.10 A 410 LEU N N 15 123.330 0.10 A 411 GLU H H 1 8.433 0.01 A 411 GLU HA H 1 4.059 0.01 A 411 GLU HB2 H 1 1.952 0.01 A 411 GLU HB3 H 1 1.952 0.01 A 411 GLU HG2 H 1 2.235 0.01 A 411 GLU HG3 H 1 2.235 0.01 A 411 GLU C C 13 178.030 0.10 A 411 GLU CA C 13 58.350 0.10 A 411 GLU CB C 13 29.490 0.10 A 411 GLU N N 15 119.020 0.10 A 412 GLN H H 1 8.018 0.01 A 412 GLN HA H 1 4.108 0.01 A 412 GLN HBx H 1 1.984 0.01 A 412 GLN HBy H 1 2.165 0.01 A 412 GLN HE21 H 1 6.876 0.01 A 412 GLN HE22 H 1 7.527 0.01 A 412 GLN HGy H 1 2.399 0.01 A 412 GLN HGx H 1 2.365 0.01 A 412 GLN C C 13 177.380 0.10 A 412 GLN CA C 13 57.200 0.10 A 412 GLN CB C 13 29.130 0.10 A 412 GLN N N 15 119.270 0.10 A 413 GLN H H 1 8.227 0.01 A 413 GLN HA H 1 4.026 0.01 A 413 GLN HB2 H 1 2.068 0.01 A 413 GLN HB3 H 1 2.068 0.01 A 413 GLN HE21 H 1 6.821 0.01 A 413 GLN HE22 H 1 7.268 0.01 A 413 GLN HG2 H 1 2.464 0.01 A 413 GLN HG3 H 1 2.464 0.01 A 413 GLN C C 13 176.380 0.10 A 413 GLN CA C 13 57.080 0.10 A 413 GLN CB C 13 29.000 0.10 A 413 GLN N N 15 118.950 0.10 A 414 GLN H H 1 8.074 0.01 A 414 GLN HA H 1 4.212 0.01 A 414 GLN HBx H 1 1.975 0.01 A 414 GLN HBy H 1 2.071 0.01 A 414 GLN HE21 H 1 6.823 0.01 A 414 GLN HE22 H 1 7.455 0.01 A 414 GLN HGy H 1 2.404 0.01 A 414 GLN HGx H 1 2.333 0.01 A 414 GLN C C 13 175.970 0.10 A 414 GLN CA C 13 56.000 0.10 A 414 GLN CB C 13 29.190 0.10 A 414 GLN N N 15 118.400 0.10 A 415 MET H H 1 7.990 0.01 A 415 MET HA H 1 4.365 0.01 A 415 MET HBy H 1 2.024 0.01 A 415 MET HBx H 1 1.981 0.01 A 415 MET HE% H 1 2.030 0.01 A 415 MET HGy H 1 2.581 0.01 A 415 MET HGx H 1 2.505 0.01 A 415 MET C C 13 175.860 0.10 A 415 MET CA C 13 55.640 0.10 A 415 MET CB C 13 32.830 0.10 A 415 MET CE C 13 15.110 0.10 A 415 MET N N 15 119.900 0.10 A 416 GLN H H 1 8.191 0.01 A 416 GLN HA H 1 4.524 0.01 A 416 GLN HBy H 1 2.020 0.01 A 416 GLN HBx H 1 1.855 0.01 A 416 GLN HE21 H 1 6.831 0.01 A 416 GLN HE22 H 1 7.497 0.01 A 416 GLN HG2 H 1 2.317 0.01 A 416 GLN HG3 H 1 2.317 0.01 A 416 GLN C C 13 173.630 0.10 A 416 GLN CA C 13 53.740 0.10 A 416 GLN CB C 13 28.810 0.10 A 416 GLN N N 15 122.030 0.10 A 417 PRO HA H 1 4.320 0.01 A 417 PRO HBx H 1 1.706 0.01 A 417 PRO HBy H 1 2.153 0.01 A 417 PRO HDx H 1 3.568 0.01 A 417 PRO HDy H 1 3.707 0.01 A 417 PRO HGy H 1 1.908 0.01 A 417 PRO HGx H 1 1.861 0.01 A 417 PRO C C 13 176.390 0.10 A 417 PRO CA C 13 62.640 0.10 A 417 PRO CB C 13 32.170 0.10 A 418 LEU H H 1 8.344 0.01 A 418 LEU HA H 1 4.159 0.01 A 418 LEU HB2 H 1 1.426 0.01 A 418 LEU HB3 H 1 1.512 0.01 A 418 LEU HDx% H 1 0.828 0.01 A 418 LEU HDy% H 1 0.768 0.01 A 418 LEU HG H 1 1.515 0.01 A 418 LEU C C 13 176.620 0.10 A 418 LEU CA C 13 55.210 0.10 A 418 LEU CB C 13 42.250 0.10 A 418 LEU CD1 C 13 23.050 0.10 A 418 LEU CD2 C 13 21.590 0.10 A 418 LEU N N 15 121.700 0.10 A 419 CYS H H 1 7.739 0.01 A 419 CYS HA H 1 4.402 0.01 A 419 CYS HBx H 1 2.716 0.01 A 419 CYS HBy H 1 2.768 0.01 A 419 CYS C C 13 172.270 0.10 A 419 CYS CA C 13 56.490 0.10 A 419 CYS CB C 13 30.160 0.10 A 419 CYS N N 15 115.700 0.10 A 420 PHE H H 1 8.823 0.01 A 420 PHE HA H 1 4.509 0.01 A 420 PHE HB2 H 1 1.277 0.01 A 420 PHE HB3 H 1 1.739 0.01 A 420 PHE HD1 H 1 6.716 0.01 A 420 PHE HD2 H 1 6.716 0.01 A 420 PHE HE1 H 1 7.184 0.01 A 420 PHE HE2 H 1 7.184 0.01 A 420 PHE C C 13 174.280 0.10 A 420 PHE CA C 13 56.020 0.10 A 420 PHE CB C 13 40.110 0.10 A 420 PHE N N 15 118.890 0.10 A 421 ASN H H 1 8.512 0.01 A 421 ASN HA H 1 5.348 0.01 A 421 ASN HBy H 1 2.467 0.01 A 421 ASN HBx H 1 2.441 0.01 A 421 ASN HD21 H 1 6.596 0.01 A 421 ASN HD22 H 1 7.242 0.01 A 421 ASN C C 13 174.280 0.10 A 421 ASN CA C 13 51.520 0.10 A 421 ASN CB C 13 40.590 0.10 A 421 ASN N N 15 119.050 0.10 A 422 CYS H H 1 9.442 0.01 A 422 CYS HA H 1 4.914 0.01 A 422 CYS HB2 H 1 3.537 0.01 A 422 CYS HB3 H 1 3.077 0.01 A 422 CYS C C 13 175.550 0.10 A 422 CYS CA C 13 57.790 0.10 A 422 CYS CB C 13 29.960 0.10 A 422 CYS N N 15 127.250 0.10 A 423 PRO HA H 1 4.584 0.01 A 423 PRO HBy H 1 2.417 0.01 A 423 PRO HBx H 1 2.074 0.01 A 423 PRO HDx H 1 4.257 0.01 A 423 PRO HDy H 1 4.374 0.01 A 423 PRO HGy H 1 2.242 0.01 A 423 PRO HGx H 1 1.995 0.01 A 423 PRO C C 13 176.350 0.10 A 423 PRO CA C 13 64.060 0.10 A 423 PRO CB C 13 32.160 0.10 A 424 ILE H H 1 9.041 0.01 A 424 ILE HA H 1 3.933 0.01 A 424 ILE HB H 1 0.958 0.01 A 424 ILE HD1% H 1 0.628 0.01 A 424 ILE HG1y H 1 1.172 0.01 A 424 ILE HG1x H 1 1.053 0.01 A 424 ILE HG2% H 1 0.264 0.01 A 424 ILE C C 13 176.470 0.10 A 424 ILE CA C 13 62.440 0.10 A 424 ILE CB C 13 38.740 0.10 A 424 ILE CD1 C 13 10.370 0.10 A 424 ILE N N 15 122.310 0.10 A 425 CYS H H 1 8.482 0.01 A 425 CYS HA H 1 5.133 0.01 A 425 CYS HB2 H 1 2.743 0.01 A 425 CYS HB3 H 1 3.466 0.01 A 425 CYS C C 13 175.120 0.10 A 425 CYS CA C 13 58.130 0.10 A 425 CYS CB C 13 32.050 0.10 A 425 CYS N N 15 119.500 0.10 A 426 ASP H H 1 8.105 0.01 A 426 ASP HA H 1 4.682 0.01 A 426 ASP HBx H 1 2.796 0.01 A 426 ASP HBy H 1 2.918 0.01 A 426 ASP C C 13 175.240 0.10 A 426 ASP CA C 13 56.090 0.10 A 426 ASP CB C 13 40.570 0.10 A 426 ASP N N 15 119.170 0.10 A 427 LYS H H 1 8.155 0.01 A 427 LYS HA H 1 4.013 0.01 A 427 LYS HBx H 1 1.274 0.01 A 427 LYS HBy H 1 1.796 0.01 A 427 LYS HDy H 1 1.444 0.01 A 427 LYS HDx H 1 1.190 0.01 A 427 LYS HEx H 1 2.612 0.01 A 427 LYS HEy H 1 2.783 0.01 A 427 LYS HG2 H 1 0.827 0.01 A 427 LYS HG3 H 1 0.827 0.01 A 427 LYS C C 13 174.950 0.10 A 427 LYS CA C 13 58.480 0.10 A 427 LYS CB C 13 34.130 0.10 A 427 LYS N N 15 122.660 0.10 A 428 ILE H H 1 7.867 0.01 A 428 ILE HA H 1 4.847 0.01 A 428 ILE HB H 1 1.496 0.01 A 428 ILE HD1% H 1 0.766 0.01 A 428 ILE HG1y H 1 1.568 0.01 A 428 ILE HG1x H 1 0.976 0.01 A 428 ILE HG2% H 1 0.731 0.01 A 428 ILE C C 13 175.870 0.10 A 428 ILE CA C 13 60.110 0.10 A 428 ILE CB C 13 40.110 0.10 A 428 ILE CD1 C 13 11.750 0.10 A 428 ILE N N 15 123.200 0.10 A 429 PHE H H 1 9.090 0.01 A 429 PHE HA H 1 4.874 0.01 A 429 PHE HB2 H 1 3.110 0.01 A 429 PHE HB3 H 1 2.704 0.01 A 429 PHE HD1 H 1 7.370 0.01 A 429 PHE HD2 H 1 7.370 0.01 A 429 PHE HE1 H 1 6.874 0.01 A 429 PHE HE2 H 1 6.874 0.01 A 429 PHE HZ H 1 6.377 0.01 A 429 PHE C C 13 172.410 0.10 A 429 PHE CA C 13 54.480 0.10 A 429 PHE CB C 13 41.700 0.10 A 429 PHE N N 15 124.750 0.10 A 430 PRO HA H 1 4.617 0.01 A 430 PRO HBx H 1 1.997 0.01 A 430 PRO HBy H 1 2.389 0.01 A 430 PRO HDy H 1 3.844 0.01 A 430 PRO HDx H 1 3.770 0.01 A 430 PRO HGx H 1 1.960 0.01 A 430 PRO HGy H 1 1.999 0.01 A 430 PRO C C 13 177.050 0.10 A 430 PRO CA C 13 62.440 0.10 A 430 PRO CB C 13 32.950 0.10 A 431 ALA H H 1 8.308 0.01 A 431 ALA HA H 1 3.789 0.01 A 431 ALA HB% H 1 1.109 0.01 A 431 ALA C C 13 178.270 0.10 A 431 ALA CA C 13 54.230 0.10 A 431 ALA CB C 13 18.530 0.10 A 431 ALA N N 15 121.740 0.10 A 432 THR H H 1 7.215 0.01 A 432 THR HA H 1 4.241 0.01 A 432 THR HB H 1 4.505 0.01 A 432 THR HG2% H 1 1.266 0.01 A 432 THR C C 13 175.820 0.10 A 432 THR CA C 13 62.200 0.10 A 432 THR CB C 13 68.450 0.10 A 432 THR N N 15 103.500 0.10 A 433 GLU H H 1 7.920 0.01 A 433 GLU HA H 1 4.929 0.01 A 433 GLU HBy H 1 2.604 0.01 A 433 GLU HBx H 1 1.958 0.01 A 433 GLU HGx H 1 2.169 0.01 A 433 GLU HGy H 1 2.301 0.01 A 433 GLU C C 13 175.640 0.10 A 433 GLU CA C 13 54.620 0.10 A 433 GLU CB C 13 28.600 0.10 A 433 GLU N N 15 122.600 0.10 A 434 LYS H H 1 7.656 0.01 A 434 LYS HA H 1 3.448 0.01 A 434 LYS HBy H 1 1.919 0.01 A 434 LYS HBx H 1 1.758 0.01 A 434 LYS HDy H 1 1.674 0.01 A 434 LYS HDx H 1 1.580 0.01 A 434 LYS HE2 H 1 2.899 0.01 A 434 LYS HE3 H 1 2.899 0.01 A 434 LYS HGx H 1 0.978 0.01 A 434 LYS HGy H 1 1.242 0.01 A 434 LYS C C 13 177.260 0.10 A 434 LYS CA C 13 60.550 0.10 A 434 LYS CB C 13 33.190 0.10 A 434 LYS N N 15 120.900 0.10 A 435 GLN H H 1 8.534 0.01 A 435 GLN HA H 1 3.929 0.01 A 435 GLN HBy H 1 2.052 0.01 A 435 GLN HBx H 1 1.987 0.01 A 435 GLN HE21 H 1 6.911 0.01 A 435 GLN HE22 H 1 7.697 0.01 A 435 GLN HG2 H 1 2.321 0.01 A 435 GLN HG3 H 1 2.321 0.01 A 435 GLN C C 13 177.920 0.10 A 435 GLN CA C 13 58.920 0.10 A 435 GLN CB C 13 28.130 0.10 A 435 GLN N N 15 116.670 0.10 A 435 GLN NE2 N 15 115.060 0.10 A 436 ILE H H 1 7.333 0.01 A 436 ILE HA H 1 3.770 0.01 A 436 ILE HB H 1 1.954 0.01 A 436 ILE HD1% H 1 0.908 0.01 A 436 ILE HG1x H 1 1.255 0.01 A 436 ILE HG1y H 1 1.643 0.01 A 436 ILE HG2% H 1 1.082 0.01 A 436 ILE C C 13 179.050 0.10 A 436 ILE CA C 13 64.260 0.10 A 436 ILE CB C 13 37.780 0.10 A 436 ILE CD1 C 13 10.790 0.10 A 436 ILE N N 15 119.360 0.10 A 437 PHE H H 1 8.072 0.01 A 437 PHE HA H 1 2.976 0.01 A 437 PHE HB2 H 1 2.776 0.01 A 437 PHE HB3 H 1 2.414 0.01 A 437 PHE HD1 H 1 6.566 0.01 A 437 PHE HD2 H 1 6.566 0.01 A 437 PHE HE1 H 1 6.989 0.01 A 437 PHE HE2 H 1 6.989 0.01 A 437 PHE HZ H 1 7.259 0.01 A 437 PHE C C 13 175.810 0.10 A 437 PHE CA C 13 59.750 0.10 A 437 PHE CB C 13 37.760 0.10 A 437 PHE N N 15 122.160 0.10 A 438 GLU H H 1 8.338 0.01 A 438 GLU HA H 1 3.250 0.01 A 438 GLU HBx H 1 1.793 0.01 A 438 GLU HBy H 1 1.919 0.01 A 438 GLU HGy H 1 2.412 0.01 A 438 GLU HGx H 1 2.010 0.01 A 438 GLU C C 13 179.910 0.10 A 438 GLU CA C 13 59.800 0.10 A 438 GLU CB C 13 28.720 0.10 A 438 GLU N N 15 119.090 0.10 A 439 ASP H H 1 8.160 0.01 A 439 ASP HA H 1 4.375 0.01 A 439 ASP HBx H 1 2.593 0.01 A 439 ASP HBy H 1 2.671 0.01 A 439 ASP C C 13 177.690 0.10 A 439 ASP CA C 13 57.250 0.10 A 439 ASP CB C 13 40.470 0.10 A 439 ASP N N 15 119.870 0.10 A 440 HIS H H 1 8.072 0.01 A 440 HIS HA H 1 3.998 0.01 A 440 HIS HBy H 1 3.430 0.01 A 440 HIS HBx H 1 3.070 0.01 A 440 HIS HD2 H 1 7.027 0.01 A 440 HIS HE1 H 1 7.939 0.01 A 440 HIS C C 13 177.460 0.10 A 440 HIS CA C 13 60.150 0.10 A 440 HIS CB C 13 27.550 0.10 A 440 HIS N N 15 120.490 0.10 A 441 VAL H H 1 8.198 0.01 A 441 VAL HA H 1 3.447 0.01 A 441 VAL HB H 1 1.737 0.01 A 441 VAL HGx% H 1 0.832 0.01 A 441 VAL HGy% H 1 0.770 0.01 A 441 VAL C C 13 179.640 0.10 A 441 VAL CA C 13 67.250 0.10 A 441 VAL CB C 13 31.860 0.10 A 441 VAL CG1 C 13 19.590 0.10 A 441 VAL CG2 C 13 21.600 0.10 A 441 VAL N N 15 119.000 0.10 A 442 PHE H H 1 7.979 0.01 A 442 PHE HA H 1 4.197 0.01 A 442 PHE HB2 H 1 3.193 0.01 A 442 PHE HB3 H 1 3.193 0.01 A 442 PHE HD1 H 1 7.225 0.01 A 442 PHE HD2 H 1 7.225 0.01 A 442 PHE HE1 H 1 7.250 0.01 A 442 PHE HE2 H 1 7.250 0.01 A 442 PHE HZ H 1 7.198 0.01 A 442 PHE C C 13 178.400 0.10 A 442 PHE CA C 13 60.890 0.10 A 442 PHE CB C 13 38.800 0.10 A 442 PHE N N 15 120.700 0.10 A 443 CYS H H 1 8.050 0.01 A 443 CYS HA H 1 3.948 0.01 A 443 CYS HB2 H 1 2.739 0.01 A 443 CYS HB3 H 1 2.835 0.01 A 443 CYS C C 13 176.270 0.10 A 443 CYS CA C 13 62.600 0.10 A 443 CYS CB C 13 26.500 0.10 A 443 CYS N N 15 116.780 0.10 A 444 HIS H H 1 7.263 0.01 A 444 HIS HA H 1 4.397 0.01 A 444 HIS HB2 H 1 3.112 0.01 A 444 HIS HB3 H 1 3.226 0.01 A 444 HIS HD2 H 1 6.650 0.01 A 444 HIS HE1 H 1 7.996 0.01 A 444 HIS C C 13 175.540 0.10 A 444 HIS CA C 13 58.270 0.10 A 444 HIS CB C 13 28.760 0.10 A 444 HIS N N 15 116.780 0.10 A 445 SER H H 1 7.934 0.01 A 445 SER HA H 1 4.361 0.01 A 445 SER HB2 H 1 3.801 0.01 A 445 SER HB3 H 1 3.801 0.01 A 445 SER C C 13 173.170 0.10 A 445 SER CA C 13 58.680 0.10 A 445 SER CB C 13 63.880 0.10 A 445 SER N N 15 114.380 0.10 A 446 LEU H H 1 7.146 0.01 A 446 LEU HA H 1 4.028 0.01 A 446 LEU HBx H 1 1.450 0.01 A 446 LEU HBy H 1 1.559 0.01 A 446 LEU HDx% H 1 0.844 0.01 A 446 LEU HDy% H 1 0.702 0.01 A 446 LEU HG H 1 1.381 0.01 A 446 LEU C C 13 169.440 0.10 A 446 LEU CA C 13 56.490 0.10 A 446 LEU CB C 13 42.860 0.10 A 446 LEU CD1 C 13 23.770 0.10 A 446 LEU CD2 C 13 20.950 0.10 A 446 LEU N N 15 128.350 0.10 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 390 SER H A 390 SER HA 1.0 1.8 6.00 2 2 A 390 SER H A 390 SER HB2 1.0 1.8 4.75 3 2 A 390 SER H A 390 SER HB3 1.0 1.8 4.75 4 3 A 390 SER HA A 390 SER HB2 1.0 1.8 4.75 5 3 A 390 SER HA A 390 SER HB3 1.0 1.8 4.75 6 4 A 392 LEU H A 392 LEU HA 1.0 1.8 4.75 7 5 A 392 LEU H A 392 LEU HG 1.0 1.8 4.75 8 6 A 392 LEU H A 392 LEU HDx% 1.0 1.8 6.00 9 7 A 392 LEU H A 392 LEU HDy% 1.0 1.8 6.00 10 8 A 392 LEU H A 392 LEU HB2 1.0 1.8 3.50 11 8 A 392 LEU H A 392 LEU HB3 1.0 1.8 3.50 12 9 A 392 LEU HA A 392 LEU HG 1.0 1.8 4.75 13 10 A 392 LEU HA A 392 LEU HDx% 1.0 1.8 6.00 14 11 A 392 LEU HA A 392 LEU HDy% 1.0 1.8 4.75 15 12 A 392 LEU HA A 392 LEU HB2 1.0 1.8 4.75 16 12 A 392 LEU HA A 392 LEU HB3 1.0 1.8 4.75 17 13 A 392 LEU HG A 392 LEU HDx% 1.0 1.8 4.75 18 14 A 392 LEU HG A 392 LEU HDy% 1.0 1.8 4.75 19 15 A 392 LEU HG A 392 LEU HB2 1.0 1.8 3.50 20 15 A 392 LEU HG A 392 LEU HB3 1.0 1.8 3.50 21 16 A 392 LEU HDx% A 392 LEU HB2 1.0 1.8 4.75 22 16 A 392 LEU HDx% A 392 LEU HB3 1.0 1.8 4.75 23 17 A 392 LEU HDy% A 392 LEU HB2 1.0 1.8 4.75 24 17 A 392 LEU HDy% A 392 LEU HB3 1.0 1.8 4.75 25 18 A 393 SER H A 393 SER HA 1.0 1.8 4.75 26 19 A 393 SER H A 393 SER HB2 1.0 1.8 4.75 27 19 A 393 SER H A 393 SER HB3 1.0 1.8 4.75 28 20 A 393 SER HA A 393 SER HB2 1.0 1.8 3.50 29 20 A 393 SER HA A 393 SER HB3 1.0 1.8 3.50 30 21 A 394 ILE H A 394 ILE HA 1.0 1.8 4.75 31 22 A 394 ILE H A 394 ILE HB 1.0 1.8 4.75 32 23 A 394 ILE H A 394 ILE HG2% 1.0 1.8 6.00 33 24 A 394 ILE H A 394 ILE HD1% 1.0 1.8 6.00 34 25 A 394 ILE H A 394 ILE HG1y 1.0 1.8 4.75 35 25 A 394 ILE H A 394 ILE HG1x 1.0 1.8 4.75 36 26 A 394 ILE HA A 394 ILE HB 1.0 1.8 4.75 37 27 A 394 ILE HA A 394 ILE HG2% 1.0 1.8 4.75 38 28 A 394 ILE HA A 394 ILE HD1% 1.0 1.8 4.75 39 29 A 394 ILE HA A 394 ILE HG1y 1.0 1.8 3.50 40 29 A 394 ILE HA A 394 ILE HG1x 1.0 1.8 3.50 41 30 A 394 ILE HB A 394 ILE HG2% 1.0 1.8 4.75 42 31 A 394 ILE HB A 394 ILE HD1% 1.0 1.8 4.75 43 32 A 394 ILE HB A 394 ILE HG1y 1.0 1.8 4.75 44 32 A 394 ILE HB A 394 ILE HG1x 1.0 1.8 4.75 45 33 A 394 ILE HG2% A 394 ILE HD1% 1.0 1.8 3.50 46 34 A 394 ILE HG2% A 394 ILE HG1y 1.0 1.8 4.75 47 34 A 394 ILE HG2% A 394 ILE HG1x 1.0 1.8 4.75 48 35 A 394 ILE HD1% A 394 ILE HG1y 1.0 1.8 3.50 49 35 A 394 ILE HD1% A 394 ILE HG1x 1.0 1.8 3.50 50 36 A 395 LYS H A 395 LYS HA 1.0 1.8 3.50 51 37 A 395 LYS H A 395 LYS HBy 1.0 1.8 4.75 52 37 A 395 LYS H A 395 LYS HBx 1.0 1.8 4.75 53 38 A 395 LYS H A 395 LYS HGx 1.0 1.8 4.75 54 38 A 395 LYS H A 395 LYS HGy 1.0 1.8 4.75 55 39 A 395 LYS H A 395 LYS HD2 1.0 1.8 6.00 56 39 A 395 LYS H A 395 LYS HD3 1.0 1.8 6.00 57 40 A 395 LYS HA A 395 LYS HBy 1.0 1.8 4.75 58 40 A 395 LYS HA A 395 LYS HBx 1.0 1.8 4.75 59 41 A 395 LYS HA A 395 LYS HGx 1.0 1.8 4.75 60 41 A 395 LYS HA A 395 LYS HGy 1.0 1.8 4.75 61 42 A 395 LYS HBx A 395 LYS HGx 1.0 1.8 4.75 62 42 A 395 LYS HBy A 395 LYS HGx 1.0 1.8 4.75 63 42 A 395 LYS HGy A 395 LYS HBy 1.0 1.8 4.75 64 42 A 395 LYS HBx A 395 LYS HGy 1.0 1.8 4.75 65 43 A 395 LYS HBy A 395 LYS HD2 1.0 1.8 3.50 66 43 A 395 LYS HBx A 395 LYS HD2 1.0 1.8 3.50 67 43 A 395 LYS HD3 A 395 LYS HBy 1.0 1.8 3.50 68 43 A 395 LYS HBx A 395 LYS HD3 1.0 1.8 3.50 69 44 A 395 LYS HBy A 395 LYS HE2 1.0 1.8 4.75 70 44 A 395 LYS HBx A 395 LYS HE2 1.0 1.8 4.75 71 44 A 395 LYS HE3 A 395 LYS HBy 1.0 1.8 4.75 72 44 A 395 LYS HBx A 395 LYS HE3 1.0 1.8 4.75 73 45 A 395 LYS HD3 A 395 LYS HGx 1.0 1.8 3.50 74 45 A 395 LYS HGy A 395 LYS HD2 1.0 1.8 3.50 75 45 A 395 LYS HGy A 395 LYS HD3 1.0 1.8 3.50 76 45 A 395 LYS HD2 A 395 LYS HGx 1.0 1.8 3.50 77 46 A 395 LYS HE2 A 395 LYS HGx 1.0 1.8 4.75 78 46 A 395 LYS HE3 A 395 LYS HGx 1.0 1.8 4.75 79 46 A 395 LYS HGy A 395 LYS HE2 1.0 1.8 4.75 80 46 A 395 LYS HGy A 395 LYS HE3 1.0 1.8 4.75 81 47 A 395 LYS HD2 A 395 LYS HE2 1.0 1.8 3.50 82 47 A 395 LYS HD3 A 395 LYS HE2 1.0 1.8 3.50 83 47 A 395 LYS HE3 A 395 LYS HD2 1.0 1.8 3.50 84 47 A 395 LYS HD3 A 395 LYS HE3 1.0 1.8 3.50 85 48 A 396 LYS H A 396 LYS HA 1.0 1.8 4.75 86 49 A 396 LYS H A 396 LYS HB2 1.0 1.8 4.75 87 49 A 396 LYS H A 396 LYS HB3 1.0 1.8 4.75 88 50 A 396 LYS H A 396 LYS HG2 1.0 1.8 6.00 89 50 A 396 LYS H A 396 LYS HG3 1.0 1.8 6.00 90 51 A 396 LYS HA A 396 LYS HB2 1.0 1.8 4.75 91 51 A 396 LYS HA A 396 LYS HB3 1.0 1.8 4.75 92 52 A 396 LYS HA A 396 LYS HG2 1.0 1.8 6.00 93 52 A 396 LYS HA A 396 LYS HG3 1.0 1.8 6.00 94 53 A 396 LYS HB2 A 396 LYS HG2 1.0 1.8 3.50 95 53 A 396 LYS HB3 A 396 LYS HG2 1.0 1.8 3.50 96 53 A 396 LYS HG3 A 396 LYS HB2 1.0 1.8 3.50 97 53 A 396 LYS HB3 A 396 LYS HG3 1.0 1.8 3.50 98 54 A 396 LYS HB3 A 396 LYS HD2 1.0 1.8 3.50 99 54 A 396 LYS HB2 A 396 LYS HD2 1.0 1.8 3.50 100 54 A 396 LYS HD3 A 396 LYS HB2 1.0 1.8 3.50 101 54 A 396 LYS HB3 A 396 LYS HD3 1.0 1.8 3.50 102 55 A 396 LYS HB3 A 396 LYS HE2 1.0 1.8 4.75 103 55 A 396 LYS HB2 A 396 LYS HE2 1.0 1.8 4.75 104 55 A 396 LYS HE3 A 396 LYS HB2 1.0 1.8 4.75 105 55 A 396 LYS HB3 A 396 LYS HE3 1.0 1.8 4.75 106 56 A 396 LYS HD2 A 396 LYS HG2 1.0 1.8 3.50 107 56 A 396 LYS HD3 A 396 LYS HG2 1.0 1.8 3.50 108 56 A 396 LYS HG3 A 396 LYS HD2 1.0 1.8 3.50 109 56 A 396 LYS HG3 A 396 LYS HD3 1.0 1.8 3.50 110 57 A 396 LYS HE3 A 396 LYS HG2 1.0 1.8 4.75 111 57 A 396 LYS HE2 A 396 LYS HG2 1.0 1.8 4.75 112 57 A 396 LYS HG3 A 396 LYS HE2 1.0 1.8 4.75 113 57 A 396 LYS HG3 A 396 LYS HE3 1.0 1.8 4.75 114 58 A 396 LYS HD3 A 396 LYS HE2 1.0 1.8 4.75 115 58 A 396 LYS HE3 A 396 LYS HD2 1.0 1.8 4.75 116 58 A 396 LYS HD3 A 396 LYS HE3 1.0 1.8 4.75 117 58 A 396 LYS HD2 A 396 LYS HE2 1.0 1.8 4.75 118 59 A 397 CYS H A 397 CYS HA 1.0 1.8 6.00 119 60 A 397 CYS H A 397 CYS HBx 1.0 1.8 4.75 120 60 A 397 CYS H A 397 CYS HBy 1.0 1.8 4.75 121 61 A 397 CYS HA A 397 CYS HBx 1.0 1.8 4.75 122 61 A 397 CYS HA A 397 CYS HBy 1.0 1.8 4.75 123 62 A 399 ILE H A 399 ILE HA 1.0 1.8 4.75 124 63 A 399 ILE H A 399 ILE HB 1.0 1.8 4.75 125 64 A 399 ILE H A 399 ILE HG2% 1.0 1.8 6.00 126 65 A 399 ILE H A 399 ILE HD1% 1.0 1.8 6.00 127 66 A 399 ILE H A 399 ILE HG1y 1.0 1.8 4.75 128 66 A 399 ILE H A 399 ILE HG1x 1.0 1.8 4.75 129 67 A 399 ILE HA A 399 ILE HB 1.0 1.8 4.75 130 68 A 399 ILE HA A 399 ILE HG2% 1.0 1.8 6.00 131 69 A 399 ILE HA A 399 ILE HD1% 1.0 1.8 6.00 132 70 A 399 ILE HA A 399 ILE HG1y 1.0 1.8 4.75 133 70 A 399 ILE HA A 399 ILE HG1x 1.0 1.8 4.75 134 71 A 399 ILE HB A 399 ILE HG2% 1.0 1.8 4.75 135 72 A 399 ILE HB A 399 ILE HD1% 1.0 1.8 6.00 136 73 A 399 ILE HB A 399 ILE HG1y 1.0 1.8 3.50 137 73 A 399 ILE HB A 399 ILE HG1x 1.0 1.8 3.50 138 74 A 399 ILE HG2% A 399 ILE HD1% 1.0 1.8 6.00 139 75 A 399 ILE HG2% A 399 ILE HG1y 1.0 1.8 4.75 140 75 A 399 ILE HG2% A 399 ILE HG1x 1.0 1.8 4.75 141 76 A 399 ILE HD1% A 399 ILE HG1y 1.0 1.8 4.75 142 76 A 399 ILE HD1% A 399 ILE HG1x 1.0 1.8 4.75 143 77 A 400 CYS H A 400 CYS HA 1.0 1.8 6.00 144 78 A 400 CYS H A 400 CYS HBx 1.0 1.8 4.75 145 78 A 400 CYS H A 400 CYS HBy 1.0 1.8 4.75 146 79 A 400 CYS HA A 400 CYS HBx 1.0 1.8 6.00 147 79 A 400 CYS HA A 400 CYS HBy 1.0 1.8 6.00 148 80 A 402 ALA H A 402 ALA HA 1.0 1.8 3.50 149 81 A 402 ALA H A 402 ALA HB% 1.0 1.8 6.00 150 82 A 402 ALA HA A 402 ALA HB% 1.0 1.8 4.75 151 83 A 403 ASP H A 403 ASP HA 1.0 1.8 4.75 152 84 A 403 ASP H A 403 ASP HBx 1.0 1.8 4.75 153 84 A 403 ASP H A 403 ASP HBy 1.0 1.8 4.75 154 85 A 403 ASP HA A 403 ASP HBx 1.0 1.8 4.75 155 85 A 403 ASP HA A 403 ASP HBy 1.0 1.8 4.75 156 86 A 404 ASP H A 404 ASP HA 1.0 1.8 4.75 157 87 A 404 ASP H A 404 ASP HB2 1.0 1.8 4.75 158 87 A 404 ASP H A 404 ASP HB3 1.0 1.8 4.75 159 88 A 404 ASP HA A 404 ASP HB2 1.0 1.8 4.75 160 88 A 404 ASP HA A 404 ASP HB3 1.0 1.8 4.75 161 89 A 405 ILE H A 405 ILE HA 1.0 1.8 4.75 162 90 A 405 ILE H A 405 ILE HB 1.0 1.8 4.75 163 91 A 405 ILE H A 405 ILE HG2% 1.0 1.8 6.00 164 92 A 405 ILE H A 405 ILE HD1% 1.0 1.8 6.00 165 93 A 405 ILE H A 405 ILE HG1y 1.0 1.8 4.75 166 93 A 405 ILE H A 405 ILE HG1x 1.0 1.8 4.75 167 94 A 405 ILE HA A 405 ILE HB 1.0 1.8 4.75 168 95 A 405 ILE HA A 405 ILE HG2% 1.0 1.8 4.75 169 96 A 405 ILE HA A 405 ILE HD1% 1.0 1.8 6.00 170 97 A 405 ILE HA A 405 ILE HG1y 1.0 1.8 4.75 171 97 A 405 ILE HA A 405 ILE HG1x 1.0 1.8 4.75 172 98 A 405 ILE HB A 405 ILE HG2% 1.0 1.8 4.75 173 99 A 405 ILE HB A 405 ILE HD1% 1.0 1.8 4.75 174 100 A 405 ILE HB A 405 ILE HG1y 1.0 1.8 4.75 175 100 A 405 ILE HB A 405 ILE HG1x 1.0 1.8 4.75 176 101 A 405 ILE HG2% A 405 ILE HD1% 1.0 1.8 4.75 177 102 A 405 ILE HG2% A 405 ILE HG1y 1.0 1.8 4.75 178 102 A 405 ILE HG2% A 405 ILE HG1x 1.0 1.8 4.75 179 103 A 405 ILE HD1% A 405 ILE HG1y 1.0 1.8 4.75 180 103 A 405 ILE HD1% A 405 ILE HG1x 1.0 1.8 4.75 181 104 A 407 ASP H A 407 ASP HA 1.0 1.8 6.00 182 105 A 407 ASP H A 407 ASP HB2 1.0 1.8 6.00 183 105 A 407 ASP H A 407 ASP HB3 1.0 1.8 6.00 184 106 A 407 ASP HA A 407 ASP HB2 1.0 1.8 4.75 185 106 A 407 ASP HA A 407 ASP HB3 1.0 1.8 4.75 186 107 A 408 HIS H A 408 HIS HA 1.0 1.8 6.00 187 108 A 408 HIS H A 408 HIS HD2 1.0 1.8 6.00 188 109 A 408 HIS H A 408 HIS HB2 1.0 1.8 4.75 189 109 A 408 HIS H A 408 HIS HB3 1.0 1.8 4.75 190 110 A 408 HIS HA A 408 HIS HD2 1.0 1.8 6.00 191 111 A 408 HIS HA A 408 HIS HB2 1.0 1.8 6.00 192 111 A 408 HIS HA A 408 HIS HB3 1.0 1.8 6.00 193 112 A 408 HIS HD2 A 408 HIS HB2 1.0 1.8 6.00 194 112 A 408 HIS HD2 A 408 HIS HB3 1.0 1.8 6.00 195 113 A 409 THR H A 409 THR HA 1.0 1.8 4.75 196 114 A 409 THR H A 409 THR HB 1.0 1.8 4.75 197 115 A 409 THR H A 409 THR HG2% 1.0 1.8 6.00 198 116 A 409 THR HA A 409 THR HB 1.0 1.8 6.00 199 117 A 409 THR HA A 409 THR HG2% 1.0 1.8 6.00 200 118 A 409 THR HB A 409 THR HG2% 1.0 1.8 6.00 201 119 A 410 LEU H A 410 LEU HA 1.0 1.8 4.75 202 120 A 410 LEU H A 410 LEU HG 1.0 1.8 4.75 203 121 A 410 LEU H A 410 LEU HDx% 1.0 1.8 6.00 204 122 A 410 LEU H A 410 LEU HDy% 1.0 1.8 6.00 205 123 A 410 LEU H A 410 LEU HBx 1.0 1.8 4.75 206 123 A 410 LEU H A 410 LEU HBy 1.0 1.8 4.75 207 124 A 410 LEU HA A 410 LEU HG 1.0 1.8 4.75 208 125 A 410 LEU HA A 410 LEU HDx% 1.0 1.8 6.00 209 126 A 410 LEU HA A 410 LEU HDy% 1.0 1.8 4.75 210 127 A 410 LEU HA A 410 LEU HBx 1.0 1.8 3.50 211 127 A 410 LEU HA A 410 LEU HBy 1.0 1.8 3.50 212 128 A 410 LEU HG A 410 LEU HDx% 1.0 1.8 3.50 213 129 A 410 LEU HG A 410 LEU HDy% 1.0 1.8 3.50 214 130 A 410 LEU HG A 410 LEU HBx 1.0 1.8 3.50 215 130 A 410 LEU HG A 410 LEU HBy 1.0 1.8 3.50 216 131 A 410 LEU HDx% A 410 LEU HBx 1.0 1.8 4.75 217 131 A 410 LEU HDx% A 410 LEU HBy 1.0 1.8 4.75 218 132 A 410 LEU HDy% A 410 LEU HBx 1.0 1.8 3.50 219 132 A 410 LEU HDy% A 410 LEU HBy 1.0 1.8 3.50 220 133 A 411 GLU H A 411 GLU HA 1.0 1.8 4.75 221 134 A 411 GLU H A 411 GLU HB2 1.0 1.8 4.75 222 134 A 411 GLU H A 411 GLU HB3 1.0 1.8 4.75 223 135 A 411 GLU H A 411 GLU HG2 1.0 1.8 4.75 224 135 A 411 GLU H A 411 GLU HG3 1.0 1.8 4.75 225 136 A 411 GLU HA A 411 GLU HB2 1.0 1.8 3.50 226 136 A 411 GLU HA A 411 GLU HB3 1.0 1.8 3.50 227 137 A 411 GLU HA A 411 GLU HG2 1.0 1.8 4.75 228 137 A 411 GLU HA A 411 GLU HG3 1.0 1.8 4.75 229 138 A 411 GLU HB2 A 411 GLU HG2 1.0 1.8 3.50 230 138 A 411 GLU HB3 A 411 GLU HG2 1.0 1.8 3.50 231 138 A 411 GLU HG3 A 411 GLU HB2 1.0 1.8 3.50 232 138 A 411 GLU HB3 A 411 GLU HG3 1.0 1.8 3.50 233 139 A 412 GLN H A 412 GLN HA 1.0 1.8 4.75 234 140 A 412 GLN H A 412 GLN HBx 1.0 1.8 4.75 235 140 A 412 GLN H A 412 GLN HBy 1.0 1.8 4.75 236 141 A 412 GLN H A 412 GLN HGy 1.0 1.8 4.75 237 141 A 412 GLN H A 412 GLN HGx 1.0 1.8 4.75 238 142 A 412 GLN HA A 412 GLN HBx 1.0 1.8 4.75 239 142 A 412 GLN HA A 412 GLN HBy 1.0 1.8 4.75 240 143 A 412 GLN HA A 412 GLN HGy 1.0 1.8 4.75 241 143 A 412 GLN HA A 412 GLN HGx 1.0 1.8 4.75 242 144 A 412 GLN HE21 A 412 GLN HGy 1.0 1.8 6.00 243 144 A 412 GLN HGx A 412 GLN HE21 1.0 1.8 6.00 244 145 A 412 GLN HE22 A 412 GLN HGy 1.0 1.8 4.75 245 145 A 412 GLN HGx A 412 GLN HE22 1.0 1.8 4.75 246 146 A 412 GLN HBx A 412 GLN HGy 1.0 1.8 3.50 247 146 A 412 GLN HBy A 412 GLN HGy 1.0 1.8 3.50 248 146 A 412 GLN HGx A 412 GLN HBx 1.0 1.8 3.50 249 146 A 412 GLN HBy A 412 GLN HGx 1.0 1.8 3.50 250 147 A 413 GLN H A 413 GLN HA 1.0 1.8 4.75 251 148 A 413 GLN H A 413 GLN HB2 1.0 1.8 4.75 252 148 A 413 GLN H A 413 GLN HB3 1.0 1.8 4.75 253 149 A 413 GLN H A 413 GLN HG2 1.0 1.8 4.75 254 149 A 413 GLN H A 413 GLN HG3 1.0 1.8 4.75 255 150 A 413 GLN HA A 413 GLN HB2 1.0 1.8 4.75 256 150 A 413 GLN HA A 413 GLN HB3 1.0 1.8 4.75 257 151 A 413 GLN HA A 413 GLN HG2 1.0 1.8 4.75 258 151 A 413 GLN HA A 413 GLN HG3 1.0 1.8 4.75 259 152 A 413 GLN HE21 A 413 GLN HG2 1.0 1.8 6.00 260 152 A 413 GLN HG3 A 413 GLN HE21 1.0 1.8 6.00 261 153 A 413 GLN HE22 A 413 GLN HG2 1.0 1.8 4.75 262 153 A 413 GLN HG3 A 413 GLN HE22 1.0 1.8 4.75 263 154 A 413 GLN HB3 A 413 GLN HG2 1.0 1.8 3.50 264 154 A 413 GLN HG3 A 413 GLN HB2 1.0 1.8 3.50 265 154 A 413 GLN HB3 A 413 GLN HG3 1.0 1.8 3.50 266 154 A 413 GLN HB2 A 413 GLN HG2 1.0 1.8 3.50 267 155 A 414 GLN H A 414 GLN HA 1.0 1.8 4.75 268 156 A 414 GLN H A 414 GLN HBx 1.0 1.8 3.50 269 156 A 414 GLN H A 414 GLN HBy 1.0 1.8 3.50 270 157 A 414 GLN H A 414 GLN HGy 1.0 1.8 3.50 271 157 A 414 GLN H A 414 GLN HGx 1.0 1.8 3.50 272 158 A 414 GLN HA A 414 GLN HBx 1.0 1.8 3.50 273 158 A 414 GLN HA A 414 GLN HBy 1.0 1.8 3.50 274 159 A 414 GLN HA A 414 GLN HGy 1.0 1.8 4.75 275 159 A 414 GLN HA A 414 GLN HGx 1.0 1.8 4.75 276 160 A 414 GLN HE21 A 414 GLN HGy 1.0 1.8 4.75 277 160 A 414 GLN HGx A 414 GLN HE21 1.0 1.8 4.75 278 161 A 414 GLN HE22 A 414 GLN HGy 1.0 1.8 4.75 279 161 A 414 GLN HGx A 414 GLN HE22 1.0 1.8 4.75 280 162 A 414 GLN HBy A 414 GLN HGy 1.0 1.8 3.50 281 162 A 414 GLN HBx A 414 GLN HGy 1.0 1.8 3.50 282 162 A 414 GLN HGx A 414 GLN HBx 1.0 1.8 3.50 283 162 A 414 GLN HBy A 414 GLN HGx 1.0 1.8 3.50 284 163 A 415 MET H A 415 MET HA 1.0 1.8 4.75 285 164 A 415 MET H A 415 MET HBy 1.0 1.8 4.75 286 164 A 415 MET H A 415 MET HBx 1.0 1.8 4.75 287 165 A 415 MET H A 415 MET HGy 1.0 1.8 6.00 288 165 A 415 MET H A 415 MET HGx 1.0 1.8 6.00 289 166 A 415 MET HA A 415 MET HE% 1.0 1.8 6.00 290 167 A 415 MET HA A 415 MET HBy 1.0 1.8 4.75 291 167 A 415 MET HA A 415 MET HBx 1.0 1.8 4.75 292 168 A 415 MET HA A 415 MET HGy 1.0 1.8 4.75 293 168 A 415 MET HA A 415 MET HGx 1.0 1.8 4.75 294 169 A 415 MET HE% A 415 MET HBy 1.0 1.8 4.75 295 169 A 415 MET HBx A 415 MET HE% 1.0 1.8 4.75 296 170 A 415 MET HE% A 415 MET HGy 1.0 1.8 6.00 297 170 A 415 MET HGx A 415 MET HE% 1.0 1.8 6.00 298 171 A 415 MET HBy A 415 MET HGy 1.0 1.8 3.50 299 171 A 415 MET HBx A 415 MET HGy 1.0 1.8 3.50 300 171 A 415 MET HGx A 415 MET HBy 1.0 1.8 3.50 301 171 A 415 MET HBx A 415 MET HGx 1.0 1.8 3.50 302 172 A 416 GLN H A 416 GLN HA 1.0 1.8 4.75 303 173 A 416 GLN H A 416 GLN HBy 1.0 1.8 4.75 304 173 A 416 GLN H A 416 GLN HBx 1.0 1.8 4.75 305 174 A 416 GLN H A 416 GLN HG2 1.0 1.8 4.75 306 174 A 416 GLN H A 416 GLN HG3 1.0 1.8 4.75 307 175 A 416 GLN HA A 416 GLN HBy 1.0 1.8 4.75 308 175 A 416 GLN HA A 416 GLN HBx 1.0 1.8 4.75 309 176 A 416 GLN HA A 416 GLN HG2 1.0 1.8 6.00 310 176 A 416 GLN HA A 416 GLN HG3 1.0 1.8 6.00 311 177 A 416 GLN HE21 A 416 GLN HG2 1.0 1.8 4.75 312 177 A 416 GLN HG3 A 416 GLN HE21 1.0 1.8 4.75 313 178 A 416 GLN HE22 A 416 GLN HG2 1.0 1.8 3.50 314 178 A 416 GLN HG3 A 416 GLN HE22 1.0 1.8 3.50 315 179 A 416 GLN HBy A 416 GLN HG2 1.0 1.8 3.50 316 179 A 416 GLN HBx A 416 GLN HG2 1.0 1.8 3.50 317 179 A 416 GLN HG3 A 416 GLN HBy 1.0 1.8 3.50 318 179 A 416 GLN HBx A 416 GLN HG3 1.0 1.8 3.50 319 180 A 418 LEU H A 418 LEU HA 1.0 1.8 3.50 320 181 A 418 LEU H A 418 LEU HG 1.0 1.8 3.50 321 182 A 418 LEU H A 418 LEU HDx% 1.0 1.8 6.00 322 183 A 418 LEU H A 418 LEU HDy% 1.0 1.8 6.00 323 184 A 418 LEU H A 418 LEU HB2 1.0 1.8 3.50 324 184 A 418 LEU H A 418 LEU HB3 1.0 1.8 3.50 325 185 A 418 LEU HA A 418 LEU HG 1.0 1.8 4.75 326 186 A 418 LEU HA A 418 LEU HDx% 1.0 1.8 4.75 327 187 A 418 LEU HA A 418 LEU HDy% 1.0 1.8 4.75 328 188 A 418 LEU HA A 418 LEU HB2 1.0 1.8 3.50 329 188 A 418 LEU HA A 418 LEU HB3 1.0 1.8 3.50 330 189 A 418 LEU HG A 418 LEU HDx% 1.0 1.8 3.50 331 190 A 418 LEU HG A 418 LEU HDy% 1.0 1.8 3.50 332 191 A 418 LEU HG A 418 LEU HB2 1.0 1.8 3.50 333 191 A 418 LEU HG A 418 LEU HB3 1.0 1.8 3.50 334 192 A 418 LEU HDx% A 418 LEU HB2 1.0 1.8 3.50 335 192 A 418 LEU HDx% A 418 LEU HB3 1.0 1.8 3.50 336 193 A 418 LEU HDy% A 418 LEU HB2 1.0 1.8 3.50 337 193 A 418 LEU HDy% A 418 LEU HB3 1.0 1.8 3.50 338 194 A 419 CYS H A 419 CYS HA 1.0 1.8 4.75 339 195 A 419 CYS H A 419 CYS HBx 1.0 1.8 4.75 340 195 A 419 CYS H A 419 CYS HBy 1.0 1.8 4.75 341 196 A 419 CYS HA A 419 CYS HBx 1.0 1.8 4.75 342 196 A 419 CYS HA A 419 CYS HBy 1.0 1.8 4.75 343 197 A 420 PHE H A 420 PHE HA 1.0 1.8 4.75 344 198 A 420 PHE H A 420 PHE HB3 1.0 1.8 4.75 345 199 A 420 PHE H A 420 PHE HB2 1.0 1.8 4.75 346 200 A 420 PHE H A 420 PHE HD% 1.0 1.8 4.75 347 201 A 420 PHE H A 420 PHE HE% 1.0 1.8 6.00 348 202 A 420 PHE HA A 420 PHE HB3 1.0 1.8 3.50 349 203 A 420 PHE HA A 420 PHE HB2 1.0 1.8 6.00 350 204 A 420 PHE HA A 420 PHE HD% 1.0 1.8 4.75 351 205 A 420 PHE HA A 420 PHE HE% 1.0 1.8 6.00 352 206 A 420 PHE HB3 A 420 PHE HD% 1.0 1.8 3.50 353 207 A 420 PHE HB3 A 420 PHE HE% 1.0 1.8 6.00 354 208 A 420 PHE HB2 A 420 PHE HD% 1.0 1.8 3.50 355 209 A 420 PHE HB2 A 420 PHE HE% 1.0 1.8 6.00 356 210 A 421 ASN H A 421 ASN HA 1.0 1.8 4.75 357 211 A 421 ASN H A 421 ASN HD21 1.0 1.8 6.00 358 212 A 421 ASN H A 421 ASN HD22 1.0 1.8 6.00 359 213 A 421 ASN H A 421 ASN HBy 1.0 1.8 3.50 360 213 A 421 ASN H A 421 ASN HBx 1.0 1.8 3.50 361 214 A 421 ASN HA A 421 ASN HD21 1.0 1.8 6.00 362 215 A 421 ASN HA A 421 ASN HD22 1.0 1.8 6.00 363 216 A 421 ASN HA A 421 ASN HBy 1.0 1.8 4.75 364 216 A 421 ASN HA A 421 ASN HBx 1.0 1.8 4.75 365 217 A 421 ASN HD21 A 421 ASN HBy 1.0 1.8 4.75 366 217 A 421 ASN HD21 A 421 ASN HBx 1.0 1.8 4.75 367 218 A 421 ASN HD22 A 421 ASN HBy 1.0 1.8 4.75 368 218 A 421 ASN HD22 A 421 ASN HBx 1.0 1.8 4.75 369 219 A 422 CYS H A 422 CYS HA 1.0 1.8 6.00 370 220 A 422 CYS H A 422 CYS HB3 1.0 1.8 3.50 371 221 A 422 CYS H A 422 CYS HB2 1.0 1.8 3.50 372 222 A 422 CYS HA A 422 CYS HB3 1.0 1.8 4.75 373 223 A 422 CYS HA A 422 CYS HB2 1.0 1.8 4.75 374 224 A 424 ILE H A 424 ILE HA 1.0 1.8 4.75 375 225 A 424 ILE H A 424 ILE HB 1.0 1.8 3.50 376 226 A 424 ILE H A 424 ILE HG2% 1.0 1.8 6.00 377 227 A 424 ILE H A 424 ILE HD1% 1.0 1.8 6.00 378 228 A 424 ILE H A 424 ILE HG1y 1.0 1.8 4.75 379 228 A 424 ILE H A 424 ILE HG1x 1.0 1.8 4.75 380 229 A 424 ILE HA A 424 ILE HB 1.0 1.8 4.75 381 230 A 424 ILE HA A 424 ILE HG2% 1.0 1.8 4.75 382 231 A 424 ILE HA A 424 ILE HD1% 1.0 1.8 4.75 383 232 A 424 ILE HA A 424 ILE HG1y 1.0 1.8 4.75 384 232 A 424 ILE HA A 424 ILE HG1x 1.0 1.8 4.75 385 233 A 424 ILE HB A 424 ILE HG2% 1.0 1.8 4.75 386 234 A 424 ILE HB A 424 ILE HD1% 1.0 1.8 4.75 387 235 A 424 ILE HB A 424 ILE HG1y 1.0 1.8 3.50 388 235 A 424 ILE HB A 424 ILE HG1x 1.0 1.8 3.50 389 236 A 424 ILE HG2% A 424 ILE HD1% 1.0 1.8 6.00 390 237 A 424 ILE HG2% A 424 ILE HG1y 1.0 1.8 4.75 391 237 A 424 ILE HG2% A 424 ILE HG1x 1.0 1.8 4.75 392 238 A 424 ILE HD1% A 424 ILE HG1y 1.0 1.8 4.75 393 238 A 424 ILE HD1% A 424 ILE HG1x 1.0 1.8 4.75 394 239 A 425 CYS H A 425 CYS HA 1.0 1.8 4.75 395 240 A 425 CYS H A 425 CYS HB3 1.0 1.8 4.75 396 241 A 425 CYS H A 425 CYS HB2 1.0 1.8 4.75 397 242 A 425 CYS HA A 425 CYS HB3 1.0 1.8 3.50 398 243 A 425 CYS HA A 425 CYS HB2 1.0 1.8 3.50 399 244 A 426 ASP H A 426 ASP HA 1.0 1.8 3.50 400 245 A 426 ASP H A 426 ASP HBx 1.0 1.8 4.75 401 245 A 426 ASP H A 426 ASP HBy 1.0 1.8 4.75 402 246 A 426 ASP HA A 426 ASP HBx 1.0 1.8 4.75 403 246 A 426 ASP HA A 426 ASP HBy 1.0 1.8 4.75 404 247 A 427 LYS H A 427 LYS HA 1.0 1.8 4.75 405 248 A 427 LYS H A 427 LYS HBx 1.0 1.8 3.50 406 248 A 427 LYS H A 427 LYS HBy 1.0 1.8 3.50 407 249 A 427 LYS H A 427 LYS HG2 1.0 1.8 6.00 408 249 A 427 LYS H A 427 LYS HG3 1.0 1.8 6.00 409 250 A 427 LYS H A 427 LYS HDy 1.0 1.8 6.00 410 250 A 427 LYS H A 427 LYS HDx 1.0 1.8 6.00 411 251 A 427 LYS HA A 427 LYS HBx 1.0 1.8 3.50 412 251 A 427 LYS HA A 427 LYS HBy 1.0 1.8 3.50 413 252 A 427 LYS HA A 427 LYS HG2 1.0 1.8 4.75 414 252 A 427 LYS HA A 427 LYS HG3 1.0 1.8 4.75 415 253 A 427 LYS HA A 427 LYS HDy 1.0 1.8 4.75 416 253 A 427 LYS HA A 427 LYS HDx 1.0 1.8 4.75 417 254 A 427 LYS HBx A 427 LYS HG2 1.0 1.8 3.50 418 254 A 427 LYS HBy A 427 LYS HG2 1.0 1.8 3.50 419 254 A 427 LYS HG3 A 427 LYS HBx 1.0 1.8 3.50 420 254 A 427 LYS HBy A 427 LYS HG3 1.0 1.8 3.50 421 255 A 427 LYS HBx A 427 LYS HDy 1.0 1.8 3.50 422 255 A 427 LYS HBy A 427 LYS HDy 1.0 1.8 3.50 423 255 A 427 LYS HDx A 427 LYS HBx 1.0 1.8 3.50 424 255 A 427 LYS HBy A 427 LYS HDx 1.0 1.8 3.50 425 256 A 427 LYS HBy A 427 LYS HEx 1.0 1.8 4.75 426 256 A 427 LYS HBx A 427 LYS HEx 1.0 1.8 4.75 427 256 A 427 LYS HEy A 427 LYS HBx 1.0 1.8 4.75 428 256 A 427 LYS HBy A 427 LYS HEy 1.0 1.8 4.75 429 257 A 427 LYS HDx A 427 LYS HG2 1.0 1.8 3.50 430 257 A 427 LYS HG3 A 427 LYS HDy 1.0 1.8 3.50 431 257 A 427 LYS HG3 A 427 LYS HDx 1.0 1.8 3.50 432 257 A 427 LYS HDy A 427 LYS HG2 1.0 1.8 3.50 433 258 A 427 LYS HEy A 427 LYS HG2 1.0 1.8 4.75 434 258 A 427 LYS HEx A 427 LYS HG2 1.0 1.8 4.75 435 258 A 427 LYS HG3 A 427 LYS HEx 1.0 1.8 4.75 436 258 A 427 LYS HG3 A 427 LYS HEy 1.0 1.8 4.75 437 259 A 427 LYS HDx A 427 LYS HEx 1.0 1.8 4.75 438 259 A 427 LYS HDy A 427 LYS HEx 1.0 1.8 4.75 439 259 A 427 LYS HEy A 427 LYS HDy 1.0 1.8 4.75 440 259 A 427 LYS HDx A 427 LYS HEy 1.0 1.8 4.75 441 260 A 428 ILE H A 428 ILE HA 1.0 1.8 4.75 442 261 A 428 ILE H A 428 ILE HB 1.0 1.8 3.50 443 262 A 428 ILE H A 428 ILE HG2% 1.0 1.8 6.00 444 263 A 428 ILE H A 428 ILE HD1% 1.0 1.8 6.00 445 264 A 428 ILE H A 428 ILE HG1y 1.0 1.8 4.75 446 264 A 428 ILE H A 428 ILE HG1x 1.0 1.8 4.75 447 265 A 428 ILE HA A 428 ILE HB 1.0 1.8 4.75 448 266 A 428 ILE HA A 428 ILE HG2% 1.0 1.8 4.75 449 267 A 428 ILE HA A 428 ILE HD1% 1.0 1.8 6.00 450 268 A 428 ILE HA A 428 ILE HG1y 1.0 1.8 4.75 451 268 A 428 ILE HA A 428 ILE HG1x 1.0 1.8 4.75 452 269 A 428 ILE HB A 428 ILE HG2% 1.0 1.8 3.50 453 270 A 428 ILE HB A 428 ILE HD1% 1.0 1.8 3.50 454 271 A 428 ILE HB A 428 ILE HG1y 1.0 1.8 3.50 455 271 A 428 ILE HB A 428 ILE HG1x 1.0 1.8 3.50 456 272 A 428 ILE HG2% A 428 ILE HD1% 1.0 1.8 3.50 457 273 A 428 ILE HG2% A 428 ILE HG1y 1.0 1.8 4.75 458 273 A 428 ILE HG2% A 428 ILE HG1x 1.0 1.8 4.75 459 274 A 428 ILE HD1% A 428 ILE HG1y 1.0 1.8 4.75 460 274 A 428 ILE HD1% A 428 ILE HG1x 1.0 1.8 4.75 461 275 A 429 PHE H A 429 PHE HA 1.0 1.8 3.50 462 276 A 429 PHE H A 429 PHE HB3 1.0 1.8 4.75 463 277 A 429 PHE H A 429 PHE HB2 1.0 1.8 4.75 464 278 A 429 PHE H A 429 PHE HD% 1.0 1.8 4.75 465 279 A 429 PHE H A 429 PHE HE% 1.0 1.8 6.00 466 280 A 429 PHE HA A 429 PHE HB3 1.0 1.8 4.75 467 281 A 429 PHE HA A 429 PHE HB2 1.0 1.8 4.75 468 282 A 429 PHE HA A 429 PHE HD% 1.0 1.8 4.75 469 283 A 429 PHE HA A 429 PHE HE% 1.0 1.8 6.00 470 284 A 429 PHE HB3 A 429 PHE HD% 1.0 1.8 3.50 471 285 A 429 PHE HB3 A 429 PHE HE% 1.0 1.8 6.00 472 286 A 429 PHE HB2 A 429 PHE HD% 1.0 1.8 3.50 473 287 A 429 PHE HB2 A 429 PHE HE% 1.0 1.8 6.00 474 288 A 431 ALA H A 431 ALA HA 1.0 1.8 3.50 475 289 A 431 ALA H A 431 ALA HB% 1.0 1.8 4.75 476 290 A 431 ALA HA A 431 ALA HB% 1.0 1.8 3.50 477 291 A 432 THR H A 432 THR HA 1.0 1.8 4.75 478 292 A 432 THR H A 432 THR HB 1.0 1.8 6.00 479 293 A 432 THR H A 432 THR HG2% 1.0 1.8 4.75 480 294 A 432 THR HA A 432 THR HB 1.0 1.8 4.75 481 295 A 432 THR HA A 432 THR HG2% 1.0 1.8 4.75 482 296 A 432 THR HB A 432 THR HG2% 1.0 1.8 4.75 483 297 A 433 GLU H A 433 GLU HA 1.0 1.8 4.75 484 298 A 433 GLU H A 433 GLU HBy 1.0 1.8 3.50 485 298 A 433 GLU H A 433 GLU HBx 1.0 1.8 3.50 486 299 A 433 GLU H A 433 GLU HGx 1.0 1.8 4.75 487 299 A 433 GLU H A 433 GLU HGy 1.0 1.8 4.75 488 300 A 433 GLU HA A 433 GLU HBy 1.0 1.8 4.75 489 300 A 433 GLU HA A 433 GLU HBx 1.0 1.8 4.75 490 301 A 433 GLU HA A 433 GLU HGx 1.0 1.8 4.75 491 301 A 433 GLU HA A 433 GLU HGy 1.0 1.8 4.75 492 302 A 433 GLU HBy A 433 GLU HGx 1.0 1.8 3.50 493 302 A 433 GLU HBx A 433 GLU HGx 1.0 1.8 3.50 494 302 A 433 GLU HGy A 433 GLU HBy 1.0 1.8 3.50 495 302 A 433 GLU HBx A 433 GLU HGy 1.0 1.8 3.50 496 303 A 434 LYS H A 434 LYS HA 1.0 1.8 4.75 497 304 A 434 LYS H A 434 LYS HBy 1.0 1.8 3.50 498 304 A 434 LYS H A 434 LYS HBx 1.0 1.8 3.50 499 305 A 434 LYS H A 434 LYS HGx 1.0 1.8 6.00 500 305 A 434 LYS H A 434 LYS HGy 1.0 1.8 6.00 501 306 A 434 LYS H A 434 LYS HDy 1.0 1.8 6.00 502 306 A 434 LYS H A 434 LYS HDx 1.0 1.8 6.00 503 307 A 434 LYS HA A 434 LYS HBy 1.0 1.8 3.50 504 307 A 434 LYS HA A 434 LYS HBx 1.0 1.8 3.50 505 308 A 434 LYS HA A 434 LYS HGx 1.0 1.8 4.75 506 308 A 434 LYS HA A 434 LYS HGy 1.0 1.8 4.75 507 309 A 434 LYS HA A 434 LYS HDy 1.0 1.8 6.00 508 309 A 434 LYS HA A 434 LYS HDx 1.0 1.8 6.00 509 310 A 434 LYS HBy A 434 LYS HGx 1.0 1.8 3.50 510 310 A 434 LYS HGy A 434 LYS HBy 1.0 1.8 3.50 511 310 A 434 LYS HBx A 434 LYS HGy 1.0 1.8 3.50 512 310 A 434 LYS HBx A 434 LYS HGx 1.0 1.8 3.50 513 311 A 434 LYS HBy A 434 LYS HDy 1.0 1.8 3.50 514 311 A 434 LYS HBx A 434 LYS HDy 1.0 1.8 3.50 515 311 A 434 LYS HDx A 434 LYS HBy 1.0 1.8 3.50 516 311 A 434 LYS HBx A 434 LYS HDx 1.0 1.8 3.50 517 312 A 434 LYS HBx A 434 LYS HE2 1.0 1.8 6.00 518 312 A 434 LYS HBy A 434 LYS HE2 1.0 1.8 6.00 519 312 A 434 LYS HE3 A 434 LYS HBy 1.0 1.8 6.00 520 312 A 434 LYS HBx A 434 LYS HE3 1.0 1.8 6.00 521 313 A 434 LYS HDx A 434 LYS HGx 1.0 1.8 3.50 522 313 A 434 LYS HDy A 434 LYS HGx 1.0 1.8 3.50 523 313 A 434 LYS HGy A 434 LYS HDy 1.0 1.8 3.50 524 313 A 434 LYS HGy A 434 LYS HDx 1.0 1.8 3.50 525 314 A 434 LYS HE2 A 434 LYS HGx 1.0 1.8 4.75 526 314 A 434 LYS HE3 A 434 LYS HGx 1.0 1.8 4.75 527 314 A 434 LYS HGy A 434 LYS HE2 1.0 1.8 4.75 528 314 A 434 LYS HGy A 434 LYS HE3 1.0 1.8 4.75 529 315 A 434 LYS HDx A 434 LYS HE2 1.0 1.8 3.50 530 315 A 434 LYS HDy A 434 LYS HE2 1.0 1.8 3.50 531 315 A 434 LYS HE3 A 434 LYS HDy 1.0 1.8 3.50 532 315 A 434 LYS HDx A 434 LYS HE3 1.0 1.8 3.50 533 316 A 435 GLN H A 435 GLN HA 1.0 1.8 3.50 534 317 A 435 GLN H A 435 GLN HBy 1.0 1.8 3.50 535 317 A 435 GLN H A 435 GLN HBx 1.0 1.8 3.50 536 318 A 435 GLN H A 435 GLN HG2 1.0 1.8 4.75 537 318 A 435 GLN H A 435 GLN HG3 1.0 1.8 4.75 538 319 A 435 GLN HA A 435 GLN HE21 1.0 1.8 6.00 539 320 A 435 GLN HA A 435 GLN HE22 1.0 1.8 6.00 540 321 A 435 GLN HA A 435 GLN HBy 1.0 1.8 3.50 541 321 A 435 GLN HA A 435 GLN HBx 1.0 1.8 3.50 542 322 A 435 GLN HA A 435 GLN HG2 1.0 1.8 4.75 543 322 A 435 GLN HA A 435 GLN HG3 1.0 1.8 4.75 544 323 A 435 GLN HE21 A 435 GLN HG2 1.0 1.8 4.75 545 323 A 435 GLN HG3 A 435 GLN HE21 1.0 1.8 4.75 546 324 A 435 GLN HE22 A 435 GLN HG2 1.0 1.8 4.75 547 324 A 435 GLN HG3 A 435 GLN HE22 1.0 1.8 4.75 548 325 A 435 GLN HBx A 435 GLN HG2 1.0 1.8 3.50 549 325 A 435 GLN HBy A 435 GLN HG2 1.0 1.8 3.50 550 325 A 435 GLN HG3 A 435 GLN HBy 1.0 1.8 3.50 551 325 A 435 GLN HBx A 435 GLN HG3 1.0 1.8 3.50 552 326 A 436 ILE H A 436 ILE HA 1.0 1.8 3.50 553 327 A 436 ILE H A 436 ILE HB 1.0 1.8 3.50 554 328 A 436 ILE H A 436 ILE HG2% 1.0 1.8 6.00 555 329 A 436 ILE H A 436 ILE HD1% 1.0 1.8 6.00 556 330 A 436 ILE H A 436 ILE HG1x 1.0 1.8 4.75 557 330 A 436 ILE H A 436 ILE HG1y 1.0 1.8 4.75 558 331 A 436 ILE HA A 436 ILE HB 1.0 1.8 4.75 559 332 A 436 ILE HA A 436 ILE HG2% 1.0 1.8 3.50 560 333 A 436 ILE HA A 436 ILE HD1% 1.0 1.8 6.00 561 334 A 436 ILE HA A 436 ILE HG1x 1.0 1.8 3.50 562 334 A 436 ILE HA A 436 ILE HG1y 1.0 1.8 3.50 563 335 A 436 ILE HB A 436 ILE HG2% 1.0 1.8 4.75 564 336 A 436 ILE HB A 436 ILE HD1% 1.0 1.8 4.75 565 337 A 436 ILE HB A 436 ILE HG1x 1.0 1.8 3.50 566 337 A 436 ILE HB A 436 ILE HG1y 1.0 1.8 3.50 567 338 A 436 ILE HG2% A 436 ILE HD1% 1.0 1.8 4.75 568 339 A 436 ILE HG2% A 436 ILE HG1x 1.0 1.8 4.75 569 339 A 436 ILE HG2% A 436 ILE HG1y 1.0 1.8 4.75 570 340 A 436 ILE HD1% A 436 ILE HG1x 1.0 1.8 4.75 571 340 A 436 ILE HD1% A 436 ILE HG1y 1.0 1.8 4.75 572 341 A 437 PHE H A 437 PHE HA 1.0 1.8 3.50 573 342 A 437 PHE H A 437 PHE HB3 1.0 1.8 3.50 574 343 A 437 PHE H A 437 PHE HB2 1.0 1.8 3.50 575 344 A 437 PHE H A 437 PHE HD% 1.0 1.8 4.75 576 345 A 437 PHE HA A 437 PHE HB3 1.0 1.8 4.75 577 346 A 437 PHE HA A 437 PHE HB2 1.0 1.8 3.50 578 347 A 437 PHE HA A 437 PHE HD% 1.0 1.8 3.50 579 348 A 437 PHE HA A 437 PHE HE% 1.0 1.8 6.00 580 349 A 437 PHE HB3 A 437 PHE HD% 1.0 1.8 3.50 581 350 A 437 PHE HB3 A 437 PHE HE% 1.0 1.8 6.00 582 351 A 437 PHE HB2 A 437 PHE HD% 1.0 1.8 3.50 583 352 A 437 PHE HB2 A 437 PHE HE% 1.0 1.8 6.00 584 353 A 438 GLU H A 438 GLU HA 1.0 1.8 4.75 585 354 A 438 GLU H A 438 GLU HBx 1.0 1.8 3.50 586 354 A 438 GLU H A 438 GLU HBy 1.0 1.8 3.50 587 355 A 438 GLU H A 438 GLU HGy 1.0 1.8 4.75 588 355 A 438 GLU H A 438 GLU HGx 1.0 1.8 4.75 589 356 A 438 GLU HA A 438 GLU HBx 1.0 1.8 3.50 590 356 A 438 GLU HA A 438 GLU HBy 1.0 1.8 3.50 591 357 A 438 GLU HA A 438 GLU HGy 1.0 1.8 3.50 592 357 A 438 GLU HA A 438 GLU HGx 1.0 1.8 3.50 593 358 A 438 GLU HBx A 438 GLU HGy 1.0 1.8 2.80 594 358 A 438 GLU HGx A 438 GLU HBx 1.0 1.8 2.80 595 358 A 438 GLU HBy A 438 GLU HGx 1.0 1.8 2.80 596 358 A 438 GLU HBy A 438 GLU HGy 1.0 1.8 2.80 597 359 A 439 ASP H A 439 ASP HA 1.0 1.8 3.50 598 360 A 439 ASP H A 439 ASP HBx 1.0 1.8 3.50 599 360 A 439 ASP H A 439 ASP HBy 1.0 1.8 3.50 600 361 A 439 ASP HA A 439 ASP HBx 1.0 1.8 4.75 601 361 A 439 ASP HA A 439 ASP HBy 1.0 1.8 4.75 602 362 A 440 HIS H A 440 HIS HA 1.0 1.8 3.50 603 363 A 440 HIS H A 440 HIS HBx 1.0 1.8 3.50 604 364 A 440 HIS H A 440 HIS HBy 1.0 1.8 3.50 605 365 A 440 HIS H A 440 HIS HD2 1.0 1.8 6.00 606 366 A 440 HIS HA A 440 HIS HBx 1.0 1.8 4.75 607 367 A 440 HIS HA A 440 HIS HBy 1.0 1.8 3.50 608 368 A 440 HIS HA A 440 HIS HD2 1.0 1.8 6.00 609 369 A 440 HIS HA A 440 HIS HE1 1.0 1.8 6.00 610 370 A 440 HIS HBx A 440 HIS HD2 1.0 1.8 3.50 611 371 A 440 HIS HBy A 440 HIS HD2 1.0 1.8 4.75 612 372 A 441 VAL H A 441 VAL HA 1.0 1.8 3.50 613 373 A 441 VAL H A 441 VAL HB 1.0 1.8 3.50 614 374 A 441 VAL H A 441 VAL HGx% 1.0 1.8 6.00 615 375 A 441 VAL H A 441 VAL HGy% 1.0 1.8 4.75 616 376 A 441 VAL HA A 441 VAL HB 1.0 1.8 3.50 617 377 A 441 VAL HA A 441 VAL HGx% 1.0 1.8 4.75 618 378 A 441 VAL HA A 441 VAL HGy% 1.0 1.8 4.75 619 379 A 441 VAL HB A 441 VAL HGx% 1.0 1.8 4.75 620 380 A 441 VAL HB A 441 VAL HGy% 1.0 1.8 4.75 621 381 A 442 PHE H A 442 PHE HA 1.0 1.8 3.50 622 382 A 442 PHE H A 442 PHE HB2 1.0 1.8 3.50 623 382 A 442 PHE H A 442 PHE HB3 1.0 1.8 3.50 624 383 A 442 PHE H A 442 PHE HD% 1.0 1.8 4.75 625 384 A 442 PHE HA A 442 PHE HB2 1.0 1.8 3.50 626 384 A 442 PHE HA A 442 PHE HB3 1.0 1.8 3.50 627 385 A 442 PHE HA A 442 PHE HD% 1.0 1.8 4.75 628 386 A 442 PHE HA A 442 PHE HE% 1.0 1.8 4.75 629 387 A 442 PHE HD% A 442 PHE HB2 1.0 1.8 3.50 630 387 A 442 PHE HB3 A 442 PHE HD% 1.0 1.8 3.50 631 388 A 442 PHE HE% A 442 PHE HB2 1.0 1.8 6.00 632 388 A 442 PHE HB3 A 442 PHE HE% 1.0 1.8 6.00 633 389 A 443 CYS H A 443 CYS HA 1.0 1.8 3.50 634 390 A 443 CYS H A 443 CYS HB3 1.0 1.8 4.75 635 391 A 443 CYS H A 443 CYS HB2 1.0 1.8 4.75 636 392 A 443 CYS HA A 443 CYS HB3 1.0 1.8 4.75 637 393 A 443 CYS HA A 443 CYS HB2 1.0 1.8 4.75 638 394 A 444 HIS H A 444 HIS HA 1.0 1.8 4.75 639 395 A 444 HIS H A 444 HIS HB3 1.0 1.8 4.75 640 396 A 444 HIS H A 444 HIS HB2 1.0 1.8 3.50 641 397 A 444 HIS H A 444 HIS HD2 1.0 1.8 4.75 642 398 A 444 HIS HA A 444 HIS HB3 1.0 1.8 4.75 643 399 A 444 HIS HA A 444 HIS HB2 1.0 1.8 4.75 644 400 A 444 HIS HA A 444 HIS HD2 1.0 1.8 6.00 645 401 A 444 HIS HB3 A 444 HIS HD2 1.0 1.8 4.75 646 402 A 444 HIS HB2 A 444 HIS HD2 1.0 1.8 4.75 647 403 A 445 SER H A 445 SER HA 1.0 1.8 4.75 648 404 A 445 SER H A 445 SER HB2 1.0 1.8 3.50 649 404 A 445 SER H A 445 SER HB3 1.0 1.8 3.50 650 405 A 445 SER HA A 445 SER HB2 1.0 1.8 3.50 651 405 A 445 SER HA A 445 SER HB3 1.0 1.8 3.50 652 406 A 446 LEU H A 446 LEU HA 1.0 1.8 4.75 653 407 A 446 LEU H A 446 LEU HG 1.0 1.8 4.75 654 408 A 446 LEU H A 446 LEU HDx% 1.0 1.8 6.00 655 409 A 446 LEU H A 446 LEU HDy% 1.0 1.8 6.00 656 410 A 446 LEU H A 446 LEU HBx 1.0 1.8 3.50 657 410 A 446 LEU H A 446 LEU HBy 1.0 1.8 3.50 658 411 A 446 LEU HA A 446 LEU HG 1.0 1.8 4.75 659 412 A 446 LEU HA A 446 LEU HDx% 1.0 1.8 6.00 660 413 A 446 LEU HA A 446 LEU HDy% 1.0 1.8 4.75 661 414 A 446 LEU HA A 446 LEU HBx 1.0 1.8 3.50 662 414 A 446 LEU HA A 446 LEU HBy 1.0 1.8 3.50 663 415 A 446 LEU HG A 446 LEU HDx% 1.0 1.8 4.75 664 416 A 446 LEU HG A 446 LEU HDy% 1.0 1.8 4.75 665 417 A 446 LEU HG A 446 LEU HBx 1.0 1.8 3.50 666 417 A 446 LEU HG A 446 LEU HBy 1.0 1.8 3.50 667 418 A 446 LEU HDx% A 446 LEU HBx 1.0 1.8 3.50 668 418 A 446 LEU HDx% A 446 LEU HBy 1.0 1.8 3.50 669 419 A 446 LEU HDy% A 446 LEU HBx 1.0 1.8 4.75 670 419 A 446 LEU HDy% A 446 LEU HBy 1.0 1.8 4.75 671 420 A 390 SER HA A 391 PRO HDx 1.0 1.8 3.50 672 420 A 390 SER HA A 391 PRO HDy 1.0 1.8 3.50 673 421 A 392 LEU H A 391 PRO HA 1.0 1.8 3.50 674 422 A 392 LEU H A 391 PRO HBx 1.0 1.8 4.75 675 422 A 392 LEU H A 391 PRO HBy 1.0 1.8 4.75 676 423 A 392 LEU H A 391 PRO HDx 1.0 1.8 6.00 677 423 A 392 LEU H A 391 PRO HDy 1.0 1.8 6.00 678 424 A 392 LEU HA A 393 SER H 1.0 1.8 3.50 679 425 A 392 LEU HG A 393 SER H 1.0 1.8 4.75 680 426 A 392 LEU HDx% A 393 SER H 1.0 1.8 6.00 681 427 A 392 LEU HDy% A 393 SER H 1.0 1.8 6.00 682 428 A 393 SER H A 392 LEU HB2 1.0 1.8 3.50 683 428 A 392 LEU HB3 A 393 SER H 1.0 1.8 3.50 684 429 A 393 SER HA A 394 ILE H 1.0 1.8 3.50 685 430 A 394 ILE H A 393 SER HB2 1.0 1.8 4.75 686 430 A 393 SER HB3 A 394 ILE H 1.0 1.8 4.75 687 431 A 394 ILE H A 395 LYS H 1.0 1.8 4.75 688 432 A 394 ILE HA A 395 LYS H 1.0 1.8 3.50 689 433 A 394 ILE HB A 395 LYS H 1.0 1.8 4.75 690 434 A 394 ILE HG2% A 395 LYS H 1.0 1.8 6.00 691 435 A 395 LYS HA A 396 LYS H 1.0 1.8 3.50 692 436 A 396 LYS HA A 397 CYS H 1.0 1.8 3.50 693 437 A 397 CYS H A 396 LYS HB2 1.0 1.8 4.75 694 437 A 396 LYS HB3 A 397 CYS H 1.0 1.8 4.75 695 438 A 397 CYS H A 396 LYS HG2 1.0 1.8 6.00 696 438 A 396 LYS HG3 A 397 CYS H 1.0 1.8 6.00 697 439 A 397 CYS H A 396 LYS HD2 1.0 1.8 6.00 698 439 A 396 LYS HD3 A 397 CYS H 1.0 1.8 6.00 699 440 A 397 CYS H A 398 PRO HDx 1.0 1.8 6.00 700 440 A 397 CYS H A 398 PRO HDy 1.0 1.8 6.00 701 441 A 397 CYS HA A 398 PRO HDx 1.0 1.8 4.75 702 441 A 397 CYS HA A 398 PRO HDy 1.0 1.8 4.75 703 442 A 399 ILE H A 398 PRO HA 1.0 1.8 6.00 704 443 A 399 ILE H A 398 PRO HBy 1.0 1.8 6.00 705 443 A 399 ILE H A 398 PRO HBx 1.0 1.8 6.00 706 444 A 399 ILE H A 398 PRO HGx 1.0 1.8 6.00 707 444 A 399 ILE H A 398 PRO HGy 1.0 1.8 6.00 708 445 A 399 ILE H A 398 PRO HDx 1.0 1.8 6.00 709 445 A 399 ILE H A 398 PRO HDy 1.0 1.8 6.00 710 446 A 399 ILE H A 400 CYS H 1.0 1.8 3.50 711 447 A 399 ILE HA A 400 CYS H 1.0 1.8 6.00 712 448 A 399 ILE HB A 400 CYS H 1.0 1.8 4.75 713 449 A 399 ILE HG2% A 400 CYS H 1.0 1.8 6.00 714 450 A 399 ILE HD1% A 400 CYS H 1.0 1.8 6.00 715 451 A 402 ALA H A 401 LYS HA 1.0 1.8 3.50 716 452 A 402 ALA HA A 403 ASP H 1.0 1.8 3.50 717 453 A 402 ALA HB% A 403 ASP H 1.0 1.8 4.75 718 454 A 403 ASP H A 404 ASP H 1.0 1.8 3.50 719 455 A 403 ASP HA A 404 ASP H 1.0 1.8 4.75 720 456 A 404 ASP H A 403 ASP HBx 1.0 1.8 4.75 721 456 A 403 ASP HBy A 404 ASP H 1.0 1.8 4.75 722 457 A 404 ASP H A 405 ILE H 1.0 1.8 6.00 723 458 A 404 ASP HA A 405 ILE H 1.0 1.8 3.50 724 459 A 405 ILE H A 404 ASP HB2 1.0 1.8 3.50 725 459 A 404 ASP HB3 A 405 ILE H 1.0 1.8 3.50 726 460 A 407 ASP HA A 408 HIS H 1.0 1.8 4.75 727 461 A 408 HIS H A 407 ASP HB2 1.0 1.8 6.00 728 461 A 407 ASP HB3 A 408 HIS H 1.0 1.8 6.00 729 462 A 408 HIS HA A 409 THR H 1.0 1.8 4.75 730 463 A 409 THR H A 408 HIS HB2 1.0 1.8 6.00 731 463 A 408 HIS HB3 A 409 THR H 1.0 1.8 6.00 732 464 A 409 THR HA A 410 LEU H 1.0 1.8 4.75 733 465 A 409 THR HB A 410 LEU H 1.0 1.8 4.75 734 466 A 410 LEU HA A 411 GLU H 1.0 1.8 4.75 735 467 A 410 LEU HA A 411 GLU HB2 1.0 1.8 6.00 736 467 A 410 LEU HA A 411 GLU HB3 1.0 1.8 6.00 737 468 A 410 LEU HA A 411 GLU HG2 1.0 1.8 6.00 738 468 A 410 LEU HA A 411 GLU HG3 1.0 1.8 6.00 739 469 A 411 GLU H A 410 LEU HBx 1.0 1.8 4.75 740 469 A 410 LEU HBy A 411 GLU H 1.0 1.8 4.75 741 470 A 411 GLU H A 412 GLN H 1.0 1.8 4.75 742 471 A 411 GLU HA A 412 GLN H 1.0 1.8 4.75 743 472 A 412 GLN H A 411 GLU HB2 1.0 1.8 4.75 744 472 A 411 GLU HB3 A 412 GLN H 1.0 1.8 4.75 745 473 A 412 GLN H A 413 GLN H 1.0 1.8 3.50 746 474 A 412 GLN HA A 413 GLN H 1.0 1.8 3.50 747 475 A 413 GLN H A 412 GLN HBx 1.0 1.8 3.50 748 475 A 412 GLN HBy A 413 GLN H 1.0 1.8 3.50 749 476 A 413 GLN H A 412 GLN HGy 1.0 1.8 6.00 750 476 A 412 GLN HGx A 413 GLN H 1.0 1.8 6.00 751 477 A 413 GLN H A 414 GLN H 1.0 1.8 3.50 752 478 A 413 GLN H A 414 GLN HGy 1.0 1.8 4.75 753 478 A 413 GLN H A 414 GLN HGx 1.0 1.8 4.75 754 479 A 415 MET HA A 416 GLN H 1.0 1.8 3.50 755 480 A 416 GLN HA A 415 MET HGy 1.0 1.8 4.75 756 480 A 415 MET HGx A 416 GLN HA 1.0 1.8 4.75 757 481 A 416 GLN H A 417 PRO HDx 1.0 1.8 6.00 758 481 A 416 GLN H A 417 PRO HDy 1.0 1.8 6.00 759 482 A 416 GLN HA A 417 PRO HDx 1.0 1.8 3.50 760 482 A 416 GLN HA A 417 PRO HDy 1.0 1.8 3.50 761 483 A 416 GLN HBy A 417 PRO HDx 1.0 1.8 4.75 762 483 A 417 PRO HDy A 416 GLN HBy 1.0 1.8 4.75 763 483 A 416 GLN HBx A 417 PRO HDy 1.0 1.8 4.75 764 483 A 416 GLN HBx A 417 PRO HDx 1.0 1.8 4.75 765 484 A 416 GLN HG3 A 417 PRO HDx 1.0 1.8 6.00 766 484 A 416 GLN HG2 A 417 PRO HDx 1.0 1.8 6.00 767 484 A 417 PRO HDy A 416 GLN HG2 1.0 1.8 6.00 768 484 A 416 GLN HG3 A 417 PRO HDy 1.0 1.8 6.00 769 485 A 418 LEU H A 417 PRO HA 1.0 1.8 3.50 770 486 A 418 LEU HDy% A 417 PRO HA 1.0 1.8 6.00 771 487 A 417 PRO HA A 418 LEU HB2 1.0 1.8 6.00 772 487 A 418 LEU HB3 A 417 PRO HA 1.0 1.8 6.00 773 488 A 418 LEU H A 417 PRO HBx 1.0 1.8 4.75 774 488 A 418 LEU H A 417 PRO HBy 1.0 1.8 4.75 775 489 A 418 LEU H A 419 CYS H 1.0 1.8 3.50 776 490 A 418 LEU HA A 419 CYS H 1.0 1.8 3.50 777 491 A 418 LEU HDx% A 419 CYS H 1.0 1.8 6.00 778 492 A 418 LEU HDy% A 419 CYS H 1.0 1.8 6.00 779 493 A 419 CYS H A 418 LEU HB2 1.0 1.8 4.75 780 493 A 418 LEU HB3 A 419 CYS H 1.0 1.8 4.75 781 494 A 419 CYS H A 420 PHE H 1.0 1.8 4.75 782 495 A 419 CYS H A 420 PHE HD% 1.0 1.8 6.00 783 496 A 419 CYS HA A 420 PHE H 1.0 1.8 3.50 784 497 A 419 CYS HA A 420 PHE HB2 1.0 1.8 6.00 785 498 A 419 CYS HA A 420 PHE HD% 1.0 1.8 6.00 786 499 A 419 CYS HA A 420 PHE HE% 1.0 1.8 6.00 787 500 A 420 PHE H A 419 CYS HBx 1.0 1.8 3.50 788 500 A 419 CYS HBy A 420 PHE H 1.0 1.8 3.50 789 501 A 420 PHE H A 421 ASN H 1.0 1.8 6.00 790 502 A 420 PHE HA A 421 ASN H 1.0 1.8 3.50 791 503 A 420 PHE HB3 A 421 ASN H 1.0 1.8 3.50 792 504 A 420 PHE HB2 A 421 ASN H 1.0 1.8 4.75 793 505 A 420 PHE HD% A 421 ASN H 1.0 1.8 4.75 794 506 A 420 PHE HE% A 421 ASN H 1.0 1.8 6.00 795 507 A 421 ASN H A 422 CYS H 1.0 1.8 6.00 796 508 A 421 ASN HA A 422 CYS H 1.0 1.8 3.50 797 509 A 421 ASN HA A 422 CYS HB3 1.0 1.8 4.75 798 510 A 421 ASN HA A 422 CYS HB2 1.0 1.8 4.75 799 511 A 421 ASN HD21 A 422 CYS H 1.0 1.8 6.00 800 512 A 421 ASN HD22 A 422 CYS H 1.0 1.8 6.00 801 513 A 422 CYS H A 421 ASN HBy 1.0 1.8 4.75 802 513 A 421 ASN HBx A 422 CYS H 1.0 1.8 4.75 803 514 A 422 CYS H A 423 PRO HDx 1.0 1.8 6.00 804 514 A 422 CYS H A 423 PRO HDy 1.0 1.8 6.00 805 515 A 422 CYS HA A 423 PRO HGy 1.0 1.8 6.00 806 515 A 422 CYS HA A 423 PRO HGx 1.0 1.8 6.00 807 516 A 422 CYS HA A 423 PRO HDx 1.0 1.8 4.75 808 516 A 422 CYS HA A 423 PRO HDy 1.0 1.8 4.75 809 517 A 422 CYS HB3 A 423 PRO HDx 1.0 1.8 6.00 810 517 A 422 CYS HB3 A 423 PRO HDy 1.0 1.8 6.00 811 518 A 422 CYS HB2 A 423 PRO HDx 1.0 1.8 4.75 812 518 A 422 CYS HB2 A 423 PRO HDy 1.0 1.8 4.75 813 519 A 424 ILE H A 423 PRO HA 1.0 1.8 6.00 814 520 A 424 ILE HG2% A 423 PRO HA 1.0 1.8 6.00 815 521 A 424 ILE HD1% A 423 PRO HA 1.0 1.8 6.00 816 522 A 424 ILE H A 423 PRO HBy 1.0 1.8 6.00 817 522 A 424 ILE H A 423 PRO HBx 1.0 1.8 6.00 818 523 A 424 ILE HD1% A 423 PRO HBy 1.0 1.8 6.00 819 523 A 424 ILE HD1% A 423 PRO HBx 1.0 1.8 6.00 820 524 A 423 PRO HBx A 424 ILE HG1y 1.0 1.8 6.00 821 524 A 424 ILE HG1x A 423 PRO HBy 1.0 1.8 6.00 822 524 A 424 ILE HG1x A 423 PRO HBx 1.0 1.8 6.00 823 524 A 423 PRO HBy A 424 ILE HG1y 1.0 1.8 6.00 824 525 A 424 ILE H A 423 PRO HGy 1.0 1.8 4.75 825 525 A 424 ILE H A 423 PRO HGx 1.0 1.8 4.75 826 526 A 424 ILE HD1% A 423 PRO HGy 1.0 1.8 6.00 827 526 A 424 ILE HD1% A 423 PRO HGx 1.0 1.8 6.00 828 527 A 423 PRO HGx A 424 ILE HG1y 1.0 1.8 4.75 829 527 A 423 PRO HGy A 424 ILE HG1y 1.0 1.8 4.75 830 527 A 424 ILE HG1x A 423 PRO HGy 1.0 1.8 4.75 831 527 A 424 ILE HG1x A 423 PRO HGx 1.0 1.8 4.75 832 528 A 424 ILE H A 423 PRO HDx 1.0 1.8 6.00 833 528 A 424 ILE H A 423 PRO HDy 1.0 1.8 6.00 834 529 A 424 ILE HD1% A 423 PRO HDx 1.0 1.8 6.00 835 529 A 424 ILE HD1% A 423 PRO HDy 1.0 1.8 6.00 836 530 A 423 PRO HDy A 424 ILE HG1y 1.0 1.8 4.75 837 530 A 423 PRO HDx A 424 ILE HG1y 1.0 1.8 4.75 838 530 A 424 ILE HG1x A 423 PRO HDx 1.0 1.8 4.75 839 530 A 424 ILE HG1x A 423 PRO HDy 1.0 1.8 4.75 840 531 A 424 ILE H A 425 CYS H 1.0 1.8 3.50 841 532 A 424 ILE H A 425 CYS HA 1.0 1.8 6.00 842 533 A 424 ILE HA A 425 CYS H 1.0 1.8 4.75 843 534 A 424 ILE HB A 425 CYS H 1.0 1.8 3.50 844 535 A 424 ILE HB A 425 CYS HA 1.0 1.8 6.00 845 536 A 424 ILE HG2% A 425 CYS H 1.0 1.8 6.00 846 537 A 424 ILE HG2% A 425 CYS HA 1.0 1.8 6.00 847 538 A 424 ILE HG2% A 425 CYS HB3 1.0 1.8 6.00 848 539 A 424 ILE HG2% A 425 CYS HB2 1.0 1.8 6.00 849 540 A 424 ILE HD1% A 425 CYS H 1.0 1.8 6.00 850 541 A 425 CYS H A 424 ILE HG1y 1.0 1.8 6.00 851 541 A 424 ILE HG1x A 425 CYS H 1.0 1.8 6.00 852 542 A 425 CYS H A 426 ASP H 1.0 1.8 3.50 853 543 A 425 CYS H A 426 ASP HA 1.0 1.8 4.75 854 544 A 425 CYS HA A 426 ASP H 1.0 1.8 4.75 855 545 A 425 CYS HB3 A 426 ASP H 1.0 1.8 4.75 856 546 A 425 CYS HB2 A 426 ASP H 1.0 1.8 3.50 857 547 A 425 CYS HB2 A 426 ASP HA 1.0 1.8 6.00 858 548 A 426 ASP HA A 427 LYS H 1.0 1.8 4.75 859 549 A 427 LYS H A 426 ASP HBx 1.0 1.8 4.75 860 549 A 426 ASP HBy A 427 LYS H 1.0 1.8 4.75 861 550 A 427 LYS H A 428 ILE H 1.0 1.8 4.75 862 551 A 427 LYS HA A 428 ILE H 1.0 1.8 3.50 863 552 A 427 LYS HA A 428 ILE HB 1.0 1.8 4.75 864 553 A 427 LYS HA A 428 ILE HG2% 1.0 1.8 6.00 865 554 A 427 LYS HA A 428 ILE HD1% 1.0 1.8 6.00 866 555 A 427 LYS HA A 428 ILE HG1y 1.0 1.8 6.00 867 555 A 427 LYS HA A 428 ILE HG1x 1.0 1.8 6.00 868 556 A 428 ILE H A 427 LYS HBx 1.0 1.8 3.50 869 556 A 427 LYS HBy A 428 ILE H 1.0 1.8 3.50 870 557 A 428 ILE H A 427 LYS HG2 1.0 1.8 4.75 871 557 A 427 LYS HG3 A 428 ILE H 1.0 1.8 4.75 872 558 A 428 ILE H A 427 LYS HDy 1.0 1.8 6.00 873 558 A 427 LYS HDx A 428 ILE H 1.0 1.8 6.00 874 559 A 428 ILE H A 429 PHE H 1.0 1.8 6.00 875 560 A 428 ILE H A 429 PHE HD% 1.0 1.8 6.00 876 561 A 428 ILE HA A 429 PHE H 1.0 1.8 3.50 877 562 A 428 ILE HA A 429 PHE HD% 1.0 1.8 4.75 878 563 A 428 ILE HA A 429 PHE HE% 1.0 1.8 6.00 879 564 A 428 ILE HB A 429 PHE H 1.0 1.8 4.75 880 565 A 428 ILE HG2% A 429 PHE H 1.0 1.8 4.75 881 566 A 428 ILE HG2% A 429 PHE HD% 1.0 1.8 6.00 882 567 A 429 PHE H A 428 ILE HG1y 1.0 1.8 6.00 883 567 A 428 ILE HG1x A 429 PHE H 1.0 1.8 6.00 884 568 A 429 PHE H A 430 PRO HDy 1.0 1.8 6.00 885 568 A 429 PHE H A 430 PRO HDx 1.0 1.8 6.00 886 569 A 429 PHE HA A 430 PRO HBx 1.0 1.8 4.75 887 569 A 429 PHE HA A 430 PRO HBy 1.0 1.8 4.75 888 570 A 429 PHE HA A 430 PRO HDy 1.0 1.8 3.50 889 570 A 429 PHE HA A 430 PRO HDx 1.0 1.8 3.50 890 571 A 429 PHE HB3 A 430 PRO HDy 1.0 1.8 4.75 891 571 A 429 PHE HB3 A 430 PRO HDx 1.0 1.8 4.75 892 572 A 429 PHE HD% A 430 PRO HDy 1.0 1.8 4.75 893 572 A 429 PHE HD% A 430 PRO HDx 1.0 1.8 4.75 894 573 A 429 PHE HE% A 430 PRO HDy 1.0 1.8 6.00 895 573 A 429 PHE HE% A 430 PRO HDx 1.0 1.8 6.00 896 574 A 431 ALA H A 430 PRO HA 1.0 1.8 3.50 897 575 A 431 ALA HB% A 430 PRO HA 1.0 1.8 6.00 898 576 A 431 ALA H A 430 PRO HBx 1.0 1.8 3.50 899 576 A 431 ALA H A 430 PRO HBy 1.0 1.8 3.50 900 577 A 431 ALA H A 432 THR H 1.0 1.8 3.50 901 578 A 431 ALA H A 432 THR HG2% 1.0 1.8 6.00 902 579 A 431 ALA HB% A 432 THR H 1.0 1.8 4.75 903 580 A 431 ALA HB% A 432 THR HA 1.0 1.8 6.00 904 581 A 432 THR H A 433 GLU H 1.0 1.8 3.50 905 582 A 432 THR H A 433 GLU HA 1.0 1.8 6.00 906 583 A 432 THR H A 433 GLU HBy 1.0 1.8 6.00 907 583 A 432 THR H A 433 GLU HBx 1.0 1.8 6.00 908 584 A 432 THR H A 433 GLU HGx 1.0 1.8 6.00 909 584 A 432 THR H A 433 GLU HGy 1.0 1.8 6.00 910 585 A 432 THR HA A 433 GLU H 1.0 1.8 4.75 911 586 A 432 THR HB A 433 GLU H 1.0 1.8 6.00 912 587 A 432 THR HG2% A 433 GLU H 1.0 1.8 6.00 913 588 A 432 THR HG2% A 433 GLU HA 1.0 1.8 6.00 914 589 A 433 GLU H A 434 LYS H 1.0 1.8 3.50 915 590 A 433 GLU HA A 434 LYS H 1.0 1.8 4.75 916 591 A 434 LYS H A 433 GLU HBy 1.0 1.8 6.00 917 591 A 433 GLU HBx A 434 LYS H 1.0 1.8 6.00 918 592 A 434 LYS H A 435 GLN H 1.0 1.8 3.50 919 593 A 434 LYS H A 435 GLN HA 1.0 1.8 6.00 920 594 A 434 LYS H A 435 GLN HBy 1.0 1.8 6.00 921 594 A 434 LYS H A 435 GLN HBx 1.0 1.8 6.00 922 595 A 434 LYS H A 435 GLN HG2 1.0 1.8 6.00 923 595 A 434 LYS H A 435 GLN HG3 1.0 1.8 6.00 924 596 A 434 LYS HA A 435 GLN H 1.0 1.8 4.75 925 597 A 435 GLN H A 434 LYS HBy 1.0 1.8 3.50 926 597 A 434 LYS HBx A 435 GLN H 1.0 1.8 3.50 927 598 A 435 GLN H A 434 LYS HGx 1.0 1.8 4.75 928 598 A 434 LYS HGy A 435 GLN H 1.0 1.8 4.75 929 599 A 435 GLN H A 434 LYS HDy 1.0 1.8 6.00 930 599 A 434 LYS HDx A 435 GLN H 1.0 1.8 6.00 931 600 A 435 GLN H A 436 ILE H 1.0 1.8 3.50 932 601 A 435 GLN H A 436 ILE HA 1.0 1.8 6.00 933 602 A 435 GLN H A 436 ILE HG2% 1.0 1.8 6.00 934 603 A 435 GLN H A 436 ILE HD1% 1.0 1.8 6.00 935 604 A 435 GLN H A 436 ILE HG1x 1.0 1.8 6.00 936 604 A 435 GLN H A 436 ILE HG1y 1.0 1.8 6.00 937 605 A 435 GLN HA A 436 ILE H 1.0 1.8 4.75 938 606 A 436 ILE H A 435 GLN HBy 1.0 1.8 3.50 939 606 A 435 GLN HBx A 436 ILE H 1.0 1.8 3.50 940 607 A 436 ILE H A 435 GLN HG2 1.0 1.8 4.75 941 607 A 435 GLN HG3 A 436 ILE H 1.0 1.8 4.75 942 608 A 436 ILE H A 437 PHE H 1.0 1.8 3.50 943 609 A 436 ILE H A 437 PHE HB3 1.0 1.8 6.00 944 610 A 436 ILE H A 437 PHE HB2 1.0 1.8 6.00 945 611 A 436 ILE HA A 437 PHE H 1.0 1.8 4.75 946 612 A 436 ILE HB A 437 PHE H 1.0 1.8 3.50 947 613 A 436 ILE HG2% A 437 PHE H 1.0 1.8 6.00 948 614 A 436 ILE HG2% A 437 PHE HA 1.0 1.8 6.00 949 615 A 436 ILE HG2% A 437 PHE HD% 1.0 1.8 6.00 950 616 A 436 ILE HD1% A 437 PHE H 1.0 1.8 6.00 951 617 A 437 PHE H A 436 ILE HG1x 1.0 1.8 6.00 952 617 A 436 ILE HG1y A 437 PHE H 1.0 1.8 6.00 953 618 A 437 PHE H A 438 GLU H 1.0 1.8 3.50 954 619 A 437 PHE HA A 438 GLU H 1.0 1.8 4.75 955 620 A 437 PHE HB3 A 438 GLU H 1.0 1.8 3.50 956 621 A 437 PHE HB2 A 438 GLU H 1.0 1.8 4.75 957 622 A 437 PHE HD% A 438 GLU H 1.0 1.8 4.75 958 623 A 437 PHE HD% A 438 GLU HA 1.0 1.8 4.75 959 624 A 437 PHE HD% A 438 GLU HBx 1.0 1.8 6.00 960 624 A 437 PHE HD% A 438 GLU HBy 1.0 1.8 6.00 961 625 A 437 PHE HD% A 438 GLU HGy 1.0 1.8 4.75 962 625 A 437 PHE HD% A 438 GLU HGx 1.0 1.8 4.75 963 626 A 437 PHE HE% A 438 GLU H 1.0 1.8 6.00 964 627 A 437 PHE HE% A 438 GLU HA 1.0 1.8 6.00 965 628 A 437 PHE HE% A 438 GLU HGy 1.0 1.8 6.00 966 628 A 437 PHE HE% A 438 GLU HGx 1.0 1.8 6.00 967 629 A 438 GLU H A 439 ASP H 1.0 1.8 3.50 968 630 A 438 GLU HA A 439 ASP H 1.0 1.8 4.75 969 631 A 439 ASP H A 438 GLU HBx 1.0 1.8 3.50 970 631 A 438 GLU HBy A 439 ASP H 1.0 1.8 3.50 971 632 A 439 ASP H A 438 GLU HGy 1.0 1.8 6.00 972 632 A 438 GLU HGx A 439 ASP H 1.0 1.8 6.00 973 633 A 439 ASP H A 440 HIS H 1.0 1.8 3.50 974 634 A 439 ASP H A 440 HIS HBx 1.0 1.8 4.75 975 635 A 439 ASP HA A 440 HIS H 1.0 1.8 4.75 976 636 A 440 HIS H A 439 ASP HBx 1.0 1.8 3.50 977 636 A 439 ASP HBy A 440 HIS H 1.0 1.8 3.50 978 637 A 440 HIS H A 441 VAL H 1.0 1.8 3.50 979 638 A 440 HIS H A 441 VAL HB 1.0 1.8 6.00 980 639 A 440 HIS H A 441 VAL HGy% 1.0 1.8 6.00 981 640 A 440 HIS HA A 441 VAL H 1.0 1.8 4.75 982 641 A 440 HIS HBx A 441 VAL H 1.0 1.8 3.50 983 642 A 440 HIS HBy A 441 VAL H 1.0 1.8 4.75 984 643 A 440 HIS HBy A 441 VAL HGy% 1.0 1.8 6.00 985 644 A 440 HIS HD2 A 441 VAL H 1.0 1.8 4.75 986 645 A 440 HIS HD2 A 441 VAL HA 1.0 1.8 4.75 987 646 A 440 HIS HD2 A 441 VAL HB 1.0 1.8 6.00 988 647 A 440 HIS HD2 A 441 VAL HGx% 1.0 1.8 6.00 989 648 A 440 HIS HD2 A 441 VAL HGy% 1.0 1.8 4.75 990 649 A 441 VAL H A 442 PHE H 1.0 1.8 3.50 991 650 A 441 VAL H A 442 PHE HB2 1.0 1.8 6.00 992 650 A 441 VAL H A 442 PHE HB3 1.0 1.8 6.00 993 651 A 441 VAL HA A 442 PHE H 1.0 1.8 4.75 994 652 A 441 VAL HB A 442 PHE H 1.0 1.8 3.50 995 653 A 441 VAL HB A 442 PHE HB2 1.0 1.8 4.75 996 653 A 441 VAL HB A 442 PHE HB3 1.0 1.8 4.75 997 654 A 441 VAL HGx% A 442 PHE H 1.0 1.8 6.00 998 655 A 441 VAL HGx% A 442 PHE HA 1.0 1.8 6.00 999 656 A 441 VAL HGx% A 442 PHE HB2 1.0 1.8 6.00 1000 656 A 441 VAL HGx% A 442 PHE HB3 1.0 1.8 6.00 1001 657 A 441 VAL HGy% A 442 PHE H 1.0 1.8 6.00 1002 658 A 442 PHE H A 443 CYS HA 1.0 1.8 6.00 1003 659 A 442 PHE HA A 443 CYS H 1.0 1.8 4.75 1004 660 A 443 CYS H A 442 PHE HB2 1.0 1.8 3.50 1005 660 A 442 PHE HB3 A 443 CYS H 1.0 1.8 3.50 1006 661 A 442 PHE HD% A 443 CYS H 1.0 1.8 4.75 1007 662 A 442 PHE HD% A 443 CYS HA 1.0 1.8 6.00 1008 663 A 443 CYS H A 444 HIS H 1.0 1.8 3.50 1009 664 A 443 CYS H A 444 HIS HD2 1.0 1.8 6.00 1010 665 A 443 CYS HA A 444 HIS H 1.0 1.8 4.75 1011 666 A 443 CYS HB3 A 444 HIS H 1.0 1.8 6.00 1012 667 A 443 CYS HB3 A 444 HIS HE1 1.0 1.8 3.50 1013 668 A 443 CYS HB2 A 444 HIS H 1.0 1.8 6.00 1014 669 A 444 HIS H A 445 SER H 1.0 1.8 3.50 1015 670 A 444 HIS H A 445 SER HB2 1.0 1.8 6.00 1016 670 A 444 HIS H A 445 SER HB3 1.0 1.8 6.00 1017 671 A 444 HIS HA A 445 SER H 1.0 1.8 4.75 1018 672 A 444 HIS HB3 A 445 SER H 1.0 1.8 4.75 1019 673 A 444 HIS HB2 A 445 SER H 1.0 1.8 4.75 1020 674 A 444 HIS HD2 A 445 SER H 1.0 1.8 6.00 1021 675 A 445 SER H A 446 LEU H 1.0 1.8 3.50 1022 676 A 445 SER H A 446 LEU HA 1.0 1.8 6.00 1023 677 A 445 SER H A 446 LEU HG 1.0 1.8 6.00 1024 678 A 445 SER H A 446 LEU HDx% 1.0 1.8 6.00 1025 679 A 445 SER H A 446 LEU HDy% 1.0 1.8 6.00 1026 680 A 445 SER H A 446 LEU HBx 1.0 1.8 6.00 1027 680 A 445 SER H A 446 LEU HBy 1.0 1.8 6.00 1028 681 A 445 SER HA A 446 LEU H 1.0 1.8 4.75 1029 682 A 445 SER HA A 446 LEU HDy% 1.0 1.8 6.00 1030 683 A 446 LEU H A 445 SER HB2 1.0 1.8 4.75 1031 683 A 445 SER HB3 A 446 LEU H 1.0 1.8 4.75 1032 684 A 446 LEU HDy% A 445 SER HB2 1.0 1.8 6.00 1033 684 A 445 SER HB3 A 446 LEU HDy% 1.0 1.8 6.00 1034 685 A 390 SER HA A 392 LEU H 1.0 1.8 6.00 1035 686 A 392 LEU H A 390 SER HB2 1.0 1.8 6.00 1036 686 A 390 SER HB3 A 392 LEU H 1.0 1.8 6.00 1037 687 A 397 CYS HA A 399 ILE H 1.0 1.8 6.00 1038 688 A 399 ILE H A 397 CYS HBx 1.0 1.8 6.00 1039 688 A 397 CYS HBy A 399 ILE H 1.0 1.8 6.00 1040 689 A 402 ALA HA A 404 ASP H 1.0 1.8 6.00 1041 690 A 402 ALA HB% A 404 ASP H 1.0 1.8 6.00 1042 691 A 407 ASP HA A 409 THR HG2% 1.0 1.8 6.00 1043 692 A 419 CYS H A 417 PRO HA 1.0 1.8 6.00 1044 693 A 419 CYS H A 417 PRO HBx 1.0 1.8 4.75 1045 693 A 419 CYS H A 417 PRO HBy 1.0 1.8 4.75 1046 694 A 419 CYS H A 417 PRO HGy 1.0 1.8 6.00 1047 694 A 419 CYS H A 417 PRO HGx 1.0 1.8 6.00 1048 695 A 418 LEU HDx% A 420 PHE HE% 1.0 1.8 6.00 1049 696 A 418 LEU HDy% A 420 PHE HE% 1.0 1.8 6.00 1050 697 A 421 ASN HD21 A 423 PRO HA 1.0 1.8 6.00 1051 698 A 421 ASN HD22 A 423 PRO HA 1.0 1.8 6.00 1052 699 A 422 CYS HA A 424 ILE H 1.0 1.8 6.00 1053 700 A 422 CYS HB3 A 424 ILE H 1.0 1.8 6.00 1054 701 A 422 CYS HB2 A 424 ILE H 1.0 1.8 6.00 1055 702 A 425 CYS H A 423 PRO HA 1.0 1.8 4.75 1056 703 A 425 CYS H A 423 PRO HDx 1.0 1.8 6.00 1057 703 A 425 CYS H A 423 PRO HDy 1.0 1.8 6.00 1058 704 A 424 ILE H A 426 ASP H 1.0 1.8 4.75 1059 705 A 424 ILE HA A 426 ASP H 1.0 1.8 6.00 1060 706 A 424 ILE HB A 426 ASP H 1.0 1.8 6.00 1061 707 A 424 ILE HG2% A 426 ASP H 1.0 1.8 6.00 1062 708 A 425 CYS HA A 427 LYS H 1.0 1.8 6.00 1063 709 A 425 CYS HB3 A 427 LYS H 1.0 1.8 6.00 1064 710 A 425 CYS HB2 A 427 LYS H 1.0 1.8 4.75 1065 711 A 427 LYS H A 429 PHE HE% 1.0 1.8 6.00 1066 712 A 427 LYS HA A 429 PHE HE% 1.0 1.8 6.00 1067 713 A 429 PHE HZ A 427 LYS HBx 1.0 1.8 4.75 1068 713 A 427 LYS HBy A 429 PHE HZ 1.0 1.8 4.75 1069 714 A 429 PHE HD% A 427 LYS HBx 1.0 1.8 4.75 1070 714 A 427 LYS HBy A 429 PHE HD% 1.0 1.8 4.75 1071 715 A 429 PHE HE% A 427 LYS HBx 1.0 1.8 3.50 1072 715 A 427 LYS HBy A 429 PHE HE% 1.0 1.8 3.50 1073 716 A 429 PHE HZ A 427 LYS HG2 1.0 1.8 6.00 1074 716 A 427 LYS HG3 A 429 PHE HZ 1.0 1.8 6.00 1075 717 A 429 PHE HD% A 427 LYS HG2 1.0 1.8 6.00 1076 717 A 427 LYS HG3 A 429 PHE HD% 1.0 1.8 6.00 1077 718 A 429 PHE HE% A 427 LYS HG2 1.0 1.8 4.75 1078 718 A 427 LYS HG3 A 429 PHE HE% 1.0 1.8 4.75 1079 719 A 429 PHE HZ A 427 LYS HDy 1.0 1.8 4.75 1080 719 A 427 LYS HDx A 429 PHE HZ 1.0 1.8 4.75 1081 720 A 429 PHE HE% A 427 LYS HDy 1.0 1.8 4.75 1082 720 A 427 LYS HDx A 429 PHE HE% 1.0 1.8 4.75 1083 721 A 429 PHE HZ A 427 LYS HEx 1.0 1.8 6.00 1084 721 A 427 LYS HEy A 429 PHE HZ 1.0 1.8 6.00 1085 722 A 429 PHE HE% A 427 LYS HEx 1.0 1.8 6.00 1086 722 A 427 LYS HEy A 429 PHE HE% 1.0 1.8 6.00 1087 723 A 428 ILE HG2% A 430 PRO HA 1.0 1.8 6.00 1088 724 A 432 THR H A 430 PRO HA 1.0 1.8 6.00 1089 725 A 432 THR H A 430 PRO HBx 1.0 1.8 3.50 1090 725 A 432 THR H A 430 PRO HBy 1.0 1.8 3.50 1091 726 A 431 ALA H A 433 GLU H 1.0 1.8 4.75 1092 727 A 431 ALA HB% A 433 GLU H 1.0 1.8 6.00 1093 728 A 432 THR HA A 434 LYS H 1.0 1.8 6.00 1094 729 A 433 GLU H A 435 GLN H 1.0 1.8 6.00 1095 730 A 433 GLU HA A 435 GLN H 1.0 1.8 6.00 1096 731 A 435 GLN H A 433 GLU HBy 1.0 1.8 6.00 1097 731 A 433 GLU HBx A 435 GLN H 1.0 1.8 6.00 1098 732 A 434 LYS H A 436 ILE H 1.0 1.8 6.00 1099 733 A 434 LYS HA A 436 ILE H 1.0 1.8 6.00 1100 734 A 436 ILE H A 434 LYS HBy 1.0 1.8 6.00 1101 734 A 434 LYS HBx A 436 ILE H 1.0 1.8 6.00 1102 735 A 435 GLN H A 437 PHE H 1.0 1.8 6.00 1103 736 A 435 GLN HA A 437 PHE H 1.0 1.8 4.75 1104 737 A 436 ILE H A 438 GLU H 1.0 1.8 6.00 1105 738 A 436 ILE HA A 438 GLU H 1.0 1.8 6.00 1106 739 A 437 PHE HB3 A 439 ASP H 1.0 1.8 6.00 1107 740 A 437 PHE HD% A 439 ASP H 1.0 1.8 6.00 1108 741 A 438 GLU HA A 440 HIS H 1.0 1.8 6.00 1109 742 A 440 HIS H A 438 GLU HBx 1.0 1.8 6.00 1110 742 A 438 GLU HBy A 440 HIS H 1.0 1.8 6.00 1111 743 A 440 HIS HA A 442 PHE H 1.0 1.8 6.00 1112 744 A 440 HIS HD2 A 442 PHE H 1.0 1.8 6.00 1113 745 A 441 VAL H A 443 CYS H 1.0 1.8 4.75 1114 746 A 441 VAL HB A 443 CYS H 1.0 1.8 6.00 1115 747 A 441 VAL HGy% A 443 CYS H 1.0 1.8 6.00 1116 748 A 442 PHE H A 444 HIS H 1.0 1.8 6.00 1117 749 A 442 PHE H A 444 HIS HD2 1.0 1.8 6.00 1118 750 A 443 CYS HA A 445 SER H 1.0 1.8 6.00 1119 751 A 444 HIS HA A 446 LEU H 1.0 1.8 6.00 1120 752 A 410 LEU HA A 413 GLN H 1.0 1.8 3.50 1121 753 A 410 LEU HA A 413 GLN HB2 1.0 1.8 4.75 1122 753 A 410 LEU HA A 413 GLN HB3 1.0 1.8 4.75 1123 754 A 414 GLN HE21 A 411 GLU HG2 1.0 1.8 6.00 1124 754 A 411 GLU HG3 A 414 GLN HE21 1.0 1.8 6.00 1125 755 A 420 PHE HE% A 417 PRO HBx 1.0 1.8 6.00 1126 755 A 420 PHE HE% A 417 PRO HBy 1.0 1.8 6.00 1127 756 A 420 PHE HE% A 417 PRO HGy 1.0 1.8 4.75 1128 756 A 420 PHE HE% A 417 PRO HGx 1.0 1.8 4.75 1129 757 A 420 PHE HE% A 417 PRO HDx 1.0 1.8 6.00 1130 757 A 420 PHE HE% A 417 PRO HDy 1.0 1.8 6.00 1131 758 A 422 CYS H A 425 CYS H 1.0 1.8 6.00 1132 759 A 422 CYS HA A 425 CYS H 1.0 1.8 6.00 1133 760 A 422 CYS HB3 A 425 CYS H 1.0 1.8 4.75 1134 761 A 422 CYS HB2 A 425 CYS H 1.0 1.8 4.75 1135 762 A 426 ASP H A 423 PRO HA 1.0 1.8 6.00 1136 763 A 428 ILE HG2% A 431 ALA H 1.0 1.8 6.00 1137 764 A 433 GLU H A 430 PRO HA 1.0 1.8 6.00 1138 765 A 433 GLU H A 430 PRO HBx 1.0 1.8 3.50 1139 765 A 433 GLU H A 430 PRO HBy 1.0 1.8 3.50 1140 766 A 433 GLU H A 430 PRO HDy 1.0 1.8 6.00 1141 766 A 433 GLU H A 430 PRO HDx 1.0 1.8 6.00 1142 767 A 430 PRO HDx A 433 GLU HGx 1.0 1.8 6.00 1143 767 A 430 PRO HDy A 433 GLU HGx 1.0 1.8 6.00 1144 767 A 433 GLU HGy A 430 PRO HDy 1.0 1.8 6.00 1145 767 A 433 GLU HGy A 430 PRO HDx 1.0 1.8 6.00 1146 768 A 431 ALA HA A 434 LYS H 1.0 1.8 6.00 1147 769 A 431 ALA HB% A 434 LYS H 1.0 1.8 6.00 1148 770 A 432 THR HA A 435 GLN HG2 1.0 1.8 4.75 1149 770 A 432 THR HA A 435 GLN HG3 1.0 1.8 4.75 1150 771 A 433 GLU H A 436 ILE HD1% 1.0 1.8 6.00 1151 772 A 433 GLU HA A 436 ILE H 1.0 1.8 6.00 1152 773 A 433 GLU HA A 436 ILE HG2% 1.0 1.8 6.00 1153 774 A 433 GLU HA A 436 ILE HD1% 1.0 1.8 6.00 1154 775 A 433 GLU HA A 436 ILE HG1x 1.0 1.8 6.00 1155 775 A 433 GLU HA A 436 ILE HG1y 1.0 1.8 6.00 1156 776 A 436 ILE H A 433 GLU HBy 1.0 1.8 4.75 1157 776 A 433 GLU HBx A 436 ILE H 1.0 1.8 4.75 1158 777 A 436 ILE HG2% A 433 GLU HBy 1.0 1.8 6.00 1159 777 A 433 GLU HBx A 436 ILE HG2% 1.0 1.8 6.00 1160 778 A 436 ILE HD1% A 433 GLU HBy 1.0 1.8 6.00 1161 778 A 433 GLU HBx A 436 ILE HD1% 1.0 1.8 6.00 1162 779 A 436 ILE HD1% A 433 GLU HGx 1.0 1.8 6.00 1163 779 A 433 GLU HGy A 436 ILE HD1% 1.0 1.8 6.00 1164 780 A 434 LYS H A 437 PHE H 1.0 1.8 6.00 1165 781 A 434 LYS H A 437 PHE HB3 1.0 1.8 6.00 1166 782 A 434 LYS HA A 437 PHE HB3 1.0 1.8 3.50 1167 783 A 434 LYS HA A 437 PHE HB2 1.0 1.8 4.75 1168 784 A 434 LYS HA A 437 PHE HD% 1.0 1.8 3.50 1169 785 A 437 PHE HD% A 434 LYS HGx 1.0 1.8 4.75 1170 785 A 434 LYS HGy A 437 PHE HD% 1.0 1.8 4.75 1171 786 A 437 PHE HD% A 434 LYS HDy 1.0 1.8 6.00 1172 786 A 434 LYS HDx A 437 PHE HD% 1.0 1.8 6.00 1173 787 A 435 GLN HA A 438 GLU H 1.0 1.8 4.75 1174 788 A 435 GLN HA A 438 GLU HBx 1.0 1.8 3.50 1175 788 A 435 GLN HA A 438 GLU HBy 1.0 1.8 3.50 1176 789 A 435 GLN HA A 438 GLU HGy 1.0 1.8 4.75 1177 789 A 435 GLN HA A 438 GLU HGx 1.0 1.8 4.75 1178 790 A 436 ILE H A 439 ASP H 1.0 1.8 6.00 1179 791 A 436 ILE H A 439 ASP HBx 1.0 1.8 6.00 1180 791 A 436 ILE H A 439 ASP HBy 1.0 1.8 6.00 1181 792 A 436 ILE HA A 439 ASP H 1.0 1.8 3.50 1182 793 A 436 ILE HA A 439 ASP HBx 1.0 1.8 3.50 1183 793 A 436 ILE HA A 439 ASP HBy 1.0 1.8 3.50 1184 794 A 436 ILE HG2% A 439 ASP H 1.0 1.8 6.00 1185 795 A 436 ILE HG2% A 439 ASP HBx 1.0 1.8 6.00 1186 795 A 436 ILE HG2% A 439 ASP HBy 1.0 1.8 6.00 1187 796 A 437 PHE HA A 440 HIS HBx 1.0 1.8 3.50 1188 797 A 437 PHE HA A 440 HIS HD2 1.0 1.8 6.00 1189 798 A 437 PHE HD% A 440 HIS HBx 1.0 1.8 3.50 1190 799 A 437 PHE HD% A 440 HIS HBy 1.0 1.8 4.75 1191 800 A 437 PHE HD% A 440 HIS HD2 1.0 1.8 3.50 1192 801 A 438 GLU HA A 441 VAL H 1.0 1.8 4.75 1193 802 A 438 GLU HA A 441 VAL HB 1.0 1.8 3.50 1194 803 A 438 GLU HA A 441 VAL HGx% 1.0 1.8 6.00 1195 804 A 438 GLU HA A 441 VAL HGy% 1.0 1.8 6.00 1196 805 A 439 ASP H A 442 PHE HB2 1.0 1.8 6.00 1197 805 A 439 ASP H A 442 PHE HB3 1.0 1.8 6.00 1198 806 A 439 ASP HA A 442 PHE H 1.0 1.8 3.50 1199 807 A 439 ASP HA A 442 PHE HB2 1.0 1.8 3.50 1200 807 A 439 ASP HA A 442 PHE HB3 1.0 1.8 3.50 1201 808 A 439 ASP HA A 442 PHE HD% 1.0 1.8 4.75 1202 809 A 440 HIS HA A 443 CYS H 1.0 1.8 4.75 1203 810 A 440 HIS HA A 443 CYS HB2 1.0 1.8 6.00 1204 811 A 441 VAL H A 444 HIS H 1.0 1.8 6.00 1205 812 A 441 VAL H A 444 HIS HD2 1.0 1.8 6.00 1206 813 A 441 VAL HA A 444 HIS H 1.0 1.8 4.75 1207 814 A 441 VAL HA A 444 HIS HB3 1.0 1.8 4.75 1208 815 A 441 VAL HA A 444 HIS HB2 1.0 1.8 4.75 1209 816 A 441 VAL HA A 444 HIS HD2 1.0 1.8 3.50 1210 817 A 441 VAL HB A 444 HIS HD2 1.0 1.8 6.00 1211 818 A 441 VAL HGx% A 444 HIS HD2 1.0 1.8 6.00 1212 819 A 441 VAL HGy% A 444 HIS HD2 1.0 1.8 6.00 1213 820 A 442 PHE HA A 445 SER H 1.0 1.8 4.75 1214 821 A 445 SER H A 442 PHE HB2 1.0 1.8 4.75 1215 821 A 442 PHE HB3 A 445 SER H 1.0 1.8 4.75 1216 822 A 442 PHE HD% A 445 SER HB2 1.0 1.8 4.75 1217 822 A 442 PHE HD% A 445 SER HB3 1.0 1.8 4.75 1218 823 A 443 CYS HA A 446 LEU H 1.0 1.8 4.75 1219 824 A 443 CYS HA A 446 LEU HG 1.0 1.8 3.50 1220 825 A 443 CYS HA A 446 LEU HDx% 1.0 1.8 4.75 1221 826 A 443 CYS HA A 446 LEU HDy% 1.0 1.8 6.00 1222 827 A 443 CYS HA A 446 LEU HBx 1.0 1.8 4.75 1223 827 A 443 CYS HA A 446 LEU HBy 1.0 1.8 4.75 1224 828 A 408 HIS HD2 A 412 GLN HBx 1.0 1.8 6.00 1225 828 A 408 HIS HD2 A 412 GLN HBy 1.0 1.8 6.00 1226 829 A 410 LEU HDx% A 414 GLN HE21 1.0 1.8 6.00 1227 830 A 410 LEU HDx% A 414 GLN HE22 1.0 1.8 6.00 1228 831 A 410 LEU HDy% A 414 GLN HE21 1.0 1.8 6.00 1229 832 A 410 LEU HDy% A 414 GLN HE22 1.0 1.8 6.00 1230 833 A 422 CYS H A 426 ASP H 1.0 1.8 4.75 1231 834 A 422 CYS H A 426 ASP HA 1.0 1.8 6.00 1232 835 A 422 CYS HB3 A 426 ASP H 1.0 1.8 3.50 1233 836 A 422 CYS HB3 A 426 ASP HA 1.0 1.8 6.00 1234 837 A 422 CYS HB2 A 426 ASP H 1.0 1.8 4.75 1235 838 A 422 CYS HB2 A 426 ASP HA 1.0 1.8 6.00 1236 839 A 429 PHE HB3 A 433 GLU HBy 1.0 1.8 4.75 1237 839 A 429 PHE HB3 A 433 GLU HBx 1.0 1.8 4.75 1238 840 A 429 PHE HD% A 433 GLU HBy 1.0 1.8 4.75 1239 840 A 429 PHE HD% A 433 GLU HBx 1.0 1.8 4.75 1240 841 A 434 LYS HA A 438 GLU H 1.0 1.8 6.00 1241 842 A 435 GLN HA A 439 ASP H 1.0 1.8 6.00 1242 843 A 436 ILE HG2% A 440 HIS HBx 1.0 1.8 6.00 1243 844 A 436 ILE HG2% A 440 HIS HBy 1.0 1.8 6.00 1244 845 A 437 PHE HA A 441 VAL H 1.0 1.8 6.00 1245 846 A 437 PHE HB3 A 441 VAL HGy% 1.0 1.8 6.00 1246 847 A 441 VAL H A 437 PHE HZ 1.0 1.8 6.00 1247 848 A 441 VAL HGx% A 437 PHE HZ 1.0 1.8 4.75 1248 849 A 441 VAL HGy% A 437 PHE HZ 1.0 1.8 4.75 1249 850 A 437 PHE HD% A 441 VAL H 1.0 1.8 6.00 1250 851 A 437 PHE HD% A 441 VAL HGx% 1.0 1.8 6.00 1251 852 A 437 PHE HD% A 441 VAL HGy% 1.0 1.8 6.00 1252 853 A 437 PHE HE% A 441 VAL H 1.0 1.8 6.00 1253 854 A 437 PHE HE% A 441 VAL HA 1.0 1.8 4.75 1254 855 A 437 PHE HE% A 441 VAL HGx% 1.0 1.8 6.00 1255 856 A 437 PHE HE% A 441 VAL HGy% 1.0 1.8 4.75 1256 857 A 438 GLU HA A 442 PHE H 1.0 1.8 4.75 1257 858 A 439 ASP HA A 443 CYS H 1.0 1.8 4.75 1258 859 A 440 HIS HA A 444 HIS H 1.0 1.8 6.00 1259 860 A 440 HIS HD2 A 444 HIS HD2 1.0 1.8 4.75 1260 861 A 440 HIS HD2 A 444 HIS HE1 1.0 1.8 6.00 1261 862 A 440 HIS HE1 A 444 HIS HD2 1.0 1.8 6.00 1262 863 A 441 VAL HA A 445 SER H 1.0 1.8 6.00 1263 864 A 446 LEU HDx% A 442 PHE HZ 1.0 1.8 6.00 1264 865 A 446 LEU HDy% A 442 PHE HZ 1.0 1.8 6.00 1265 866 A 442 PHE HD% A 446 LEU HG 1.0 1.8 6.00 1266 867 A 442 PHE HD% A 446 LEU HDx% 1.0 1.8 6.00 1267 868 A 442 PHE HD% A 446 LEU HDy% 1.0 1.8 6.00 1268 869 A 442 PHE HE% A 446 LEU HG 1.0 1.8 6.00 1269 870 A 442 PHE HE% A 446 LEU HDx% 1.0 1.8 4.75 1270 871 A 442 PHE HE% A 446 LEU HDy% 1.0 1.8 6.00 1271 872 A 399 ILE HB A 408 HIS HE1 1.0 1.8 6.00 1272 873 A 399 ILE HG2% A 408 HIS HD2 1.0 1.8 6.00 1273 874 A 399 ILE HG2% A 408 HIS HE1 1.0 1.8 6.00 1274 875 A 399 ILE HD1% A 408 HIS HD2 1.0 1.8 6.00 1275 876 A 399 ILE HD1% A 408 HIS HE1 1.0 1.8 6.00 1276 877 A 399 ILE HD1% A 408 HIS HB2 1.0 1.8 6.00 1277 877 A 399 ILE HD1% A 408 HIS HB3 1.0 1.8 6.00 1278 878 A 399 ILE HD1% A 413 GLN HA 1.0 1.8 6.00 1279 879 A 408 HIS HE1 A 400 CYS HBx 1.0 1.8 4.75 1280 879 A 400 CYS HBy A 408 HIS HE1 1.0 1.8 4.75 1281 880 A 413 GLN HE21 A 408 HIS HB2 1.0 1.8 6.00 1282 880 A 408 HIS HB3 A 413 GLN HE21 1.0 1.8 6.00 1283 881 A 418 LEU H A 431 ALA HB% 1.0 1.8 6.00 1284 882 A 418 LEU HA A 431 ALA HB% 1.0 1.8 6.00 1285 883 A 418 LEU HDy% A 431 ALA H 1.0 1.8 6.00 1286 884 A 419 CYS H A 428 ILE HG2% 1.0 1.8 6.00 1287 885 A 419 CYS HA A 428 ILE HG2% 1.0 1.8 6.00 1288 886 A 428 ILE HG2% A 419 CYS HBx 1.0 1.8 4.75 1289 886 A 419 CYS HBy A 428 ILE HG2% 1.0 1.8 4.75 1290 887 A 419 CYS HA A 429 PHE H 1.0 1.8 6.00 1291 888 A 429 PHE H A 419 CYS HBx 1.0 1.8 4.75 1292 888 A 419 CYS HBy A 429 PHE H 1.0 1.8 4.75 1293 889 A 419 CYS H A 430 PRO HA 1.0 1.8 6.00 1294 890 A 419 CYS HA A 430 PRO HA 1.0 1.8 6.00 1295 891 A 430 PRO HA A 419 CYS HBx 1.0 1.8 3.50 1296 891 A 419 CYS HBy A 430 PRO HA 1.0 1.8 3.50 1297 892 A 419 CYS H A 431 ALA HB% 1.0 1.8 6.00 1298 893 A 419 CYS HA A 431 ALA HB% 1.0 1.8 6.00 1299 894 A 431 ALA H A 419 CYS HBx 1.0 1.8 4.75 1300 894 A 419 CYS HBy A 431 ALA H 1.0 1.8 4.75 1301 895 A 420 PHE H A 428 ILE HA 1.0 1.8 6.00 1302 896 A 420 PHE H A 428 ILE HG2% 1.0 1.8 6.00 1303 897 A 420 PHE HB3 A 428 ILE HA 1.0 1.8 6.00 1304 898 A 420 PHE H A 429 PHE H 1.0 1.8 3.50 1305 899 A 420 PHE H A 429 PHE HB3 1.0 1.8 6.00 1306 900 A 420 PHE H A 429 PHE HD% 1.0 1.8 6.00 1307 901 A 420 PHE HA A 429 PHE H 1.0 1.8 6.00 1308 902 A 420 PHE HB3 A 429 PHE H 1.0 1.8 6.00 1309 903 A 420 PHE HB3 A 429 PHE HB2 1.0 1.8 4.75 1310 904 A 420 PHE HB3 A 429 PHE HD% 1.0 1.8 4.75 1311 905 A 420 PHE HB2 A 429 PHE H 1.0 1.8 6.00 1312 906 A 420 PHE HB2 A 429 PHE HB3 1.0 1.8 4.75 1313 907 A 420 PHE HB2 A 429 PHE HB2 1.0 1.8 3.50 1314 908 A 420 PHE HB2 A 429 PHE HD% 1.0 1.8 4.75 1315 909 A 420 PHE HD% A 429 PHE H 1.0 1.8 6.00 1316 910 A 420 PHE HD% A 429 PHE HA 1.0 1.8 6.00 1317 911 A 420 PHE HD% A 429 PHE HB3 1.0 1.8 4.75 1318 912 A 420 PHE HD% A 429 PHE HB2 1.0 1.8 4.75 1319 913 A 420 PHE HD% A 429 PHE HD% 1.0 1.8 6.00 1320 914 A 420 PHE H A 430 PRO HA 1.0 1.8 6.00 1321 915 A 420 PHE HD% A 430 PRO HA 1.0 1.8 6.00 1322 916 A 420 PHE H A 431 ALA H 1.0 1.8 6.00 1323 917 A 420 PHE H A 431 ALA HA 1.0 1.8 6.00 1324 918 A 420 PHE H A 431 ALA HB% 1.0 1.8 6.00 1325 919 A 420 PHE HD% A 431 ALA H 1.0 1.8 6.00 1326 920 A 420 PHE HD% A 431 ALA HA 1.0 1.8 3.50 1327 921 A 420 PHE HD% A 431 ALA HB% 1.0 1.8 6.00 1328 922 A 420 PHE HE% A 431 ALA HA 1.0 1.8 3.50 1329 923 A 420 PHE HE% A 431 ALA HB% 1.0 1.8 4.75 1330 924 A 420 PHE HD% A 433 GLU H 1.0 1.8 6.00 1331 925 A 420 PHE HE% A 433 GLU HA 1.0 1.8 6.00 1332 926 A 420 PHE HD% A 434 LYS H 1.0 1.8 6.00 1333 927 A 420 PHE HD% A 434 LYS HA 1.0 1.8 4.75 1334 928 A 420 PHE HD% A 434 LYS HGx 1.0 1.8 6.00 1335 928 A 420 PHE HD% A 434 LYS HGy 1.0 1.8 6.00 1336 929 A 420 PHE HE% A 434 LYS H 1.0 1.8 4.75 1337 930 A 420 PHE HE% A 434 LYS HA 1.0 1.8 3.50 1338 931 A 420 PHE HE% A 434 LYS HBy 1.0 1.8 3.50 1339 931 A 420 PHE HE% A 434 LYS HBx 1.0 1.8 3.50 1340 932 A 420 PHE HE% A 434 LYS HGx 1.0 1.8 3.50 1341 932 A 420 PHE HE% A 434 LYS HGy 1.0 1.8 3.50 1342 933 A 420 PHE HE% A 434 LYS HDy 1.0 1.8 4.75 1343 933 A 420 PHE HE% A 434 LYS HDx 1.0 1.8 4.75 1344 934 A 420 PHE HE% A 434 LYS HE2 1.0 1.8 4.75 1345 934 A 420 PHE HE% A 434 LYS HE3 1.0 1.8 4.75 1346 935 A 420 PHE HE% A 435 GLN H 1.0 1.8 6.00 1347 936 A 420 PHE H A 437 PHE HD% 1.0 1.8 6.00 1348 937 A 420 PHE HA A 437 PHE HZ 1.0 1.8 6.00 1349 938 A 420 PHE HA A 437 PHE HD% 1.0 1.8 6.00 1350 939 A 420 PHE HA A 437 PHE HE% 1.0 1.8 6.00 1351 940 A 420 PHE HB3 A 437 PHE HZ 1.0 1.8 4.75 1352 941 A 420 PHE HB3 A 437 PHE HD% 1.0 1.8 4.75 1353 942 A 420 PHE HB3 A 437 PHE HE% 1.0 1.8 4.75 1354 943 A 420 PHE HB2 A 437 PHE HZ 1.0 1.8 6.00 1355 944 A 420 PHE HB2 A 437 PHE HD% 1.0 1.8 4.75 1356 945 A 420 PHE HB2 A 437 PHE HE% 1.0 1.8 4.75 1357 946 A 420 PHE HD% A 437 PHE H 1.0 1.8 6.00 1358 947 A 420 PHE HD% A 437 PHE HB3 1.0 1.8 4.75 1359 948 A 420 PHE HD% A 437 PHE HB2 1.0 1.8 4.75 1360 949 A 420 PHE HD% A 437 PHE HZ 1.0 1.8 4.75 1361 950 A 420 PHE HD% A 437 PHE HD% 1.0 1.8 4.75 1362 951 A 420 PHE HD% A 437 PHE HE% 1.0 1.8 4.75 1363 952 A 420 PHE HE% A 437 PHE H 1.0 1.8 6.00 1364 953 A 420 PHE HE% A 437 PHE HB3 1.0 1.8 6.00 1365 954 A 420 PHE HE% A 437 PHE HB2 1.0 1.8 6.00 1366 955 A 420 PHE HE% A 437 PHE HD% 1.0 1.8 4.75 1367 956 A 420 PHE HE% A 437 PHE HE% 1.0 1.8 3.50 1368 957 A 420 PHE HD% A 438 GLU H 1.0 1.8 6.00 1369 958 A 420 PHE HE% A 438 GLU H 1.0 1.8 6.00 1370 959 A 420 PHE HD% A 441 VAL HGy% 1.0 1.8 6.00 1371 960 A 421 ASN HD21 A 426 ASP HA 1.0 1.8 6.00 1372 961 A 421 ASN HD22 A 426 ASP HA 1.0 1.8 6.00 1373 962 A 421 ASN HD22 A 426 ASP HBx 1.0 1.8 6.00 1374 962 A 421 ASN HD22 A 426 ASP HBy 1.0 1.8 6.00 1375 963 A 426 ASP HA A 421 ASN HBy 1.0 1.8 6.00 1376 963 A 421 ASN HBx A 426 ASP HA 1.0 1.8 6.00 1377 964 A 421 ASN HA A 427 LYS HBx 1.0 1.8 6.00 1378 964 A 421 ASN HA A 427 LYS HBy 1.0 1.8 6.00 1379 965 A 421 ASN H A 428 ILE HA 1.0 1.8 6.00 1380 966 A 421 ASN H A 428 ILE HG2% 1.0 1.8 6.00 1381 967 A 421 ASN HA A 428 ILE H 1.0 1.8 6.00 1382 968 A 421 ASN HA A 428 ILE HA 1.0 1.8 4.75 1383 969 A 421 ASN HA A 428 ILE HB 1.0 1.8 6.00 1384 970 A 421 ASN HA A 428 ILE HG2% 1.0 1.8 6.00 1385 971 A 421 ASN HA A 428 ILE HD1% 1.0 1.8 6.00 1386 972 A 421 ASN HA A 428 ILE HG1y 1.0 1.8 6.00 1387 972 A 421 ASN HA A 428 ILE HG1x 1.0 1.8 6.00 1388 973 A 421 ASN HD21 A 428 ILE HA 1.0 1.8 6.00 1389 974 A 421 ASN HD21 A 428 ILE HB 1.0 1.8 6.00 1390 975 A 421 ASN HD21 A 428 ILE HG2% 1.0 1.8 6.00 1391 976 A 421 ASN HD21 A 428 ILE HD1% 1.0 1.8 6.00 1392 977 A 421 ASN HD21 A 428 ILE HG1y 1.0 1.8 6.00 1393 977 A 421 ASN HD21 A 428 ILE HG1x 1.0 1.8 6.00 1394 978 A 421 ASN HD22 A 428 ILE HA 1.0 1.8 6.00 1395 979 A 421 ASN HD22 A 428 ILE HG2% 1.0 1.8 6.00 1396 980 A 421 ASN HD22 A 428 ILE HG1y 1.0 1.8 6.00 1397 980 A 421 ASN HD22 A 428 ILE HG1x 1.0 1.8 6.00 1398 981 A 421 ASN HA A 429 PHE H 1.0 1.8 4.75 1399 982 A 421 ASN HA A 429 PHE HD% 1.0 1.8 6.00 1400 983 A 421 ASN HA A 429 PHE HE% 1.0 1.8 6.00 1401 984 A 421 ASN H A 437 PHE HZ 1.0 1.8 4.75 1402 985 A 421 ASN H A 437 PHE HD% 1.0 1.8 6.00 1403 986 A 421 ASN H A 437 PHE HE% 1.0 1.8 6.00 1404 987 A 421 ASN HA A 437 PHE HZ 1.0 1.8 6.00 1405 988 A 421 ASN HA A 437 PHE HD% 1.0 1.8 6.00 1406 989 A 421 ASN HA A 437 PHE HE% 1.0 1.8 6.00 1407 990 A 422 CYS H A 427 LYS H 1.0 1.8 4.75 1408 991 A 422 CYS H A 427 LYS HBx 1.0 1.8 6.00 1409 991 A 422 CYS H A 427 LYS HBy 1.0 1.8 6.00 1410 992 A 422 CYS HB3 A 427 LYS H 1.0 1.8 3.50 1411 993 A 422 CYS HB3 A 427 LYS HBx 1.0 1.8 4.75 1412 993 A 422 CYS HB3 A 427 LYS HBy 1.0 1.8 4.75 1413 994 A 422 CYS HB2 A 427 LYS H 1.0 1.8 4.75 1414 995 A 422 CYS HB2 A 427 LYS HBx 1.0 1.8 4.75 1415 995 A 422 CYS HB2 A 427 LYS HBy 1.0 1.8 4.75 1416 996 A 422 CYS H A 428 ILE HA 1.0 1.8 6.00 1417 997 A 422 CYS H A 428 ILE HG2% 1.0 1.8 6.00 1418 998 A 422 CYS H A 428 ILE HD1% 1.0 1.8 6.00 1419 999 A 422 CYS HB3 A 428 ILE HA 1.0 1.8 6.00 1420 1000 A 422 CYS H A 429 PHE HD% 1.0 1.8 6.00 1421 1001 A 422 CYS H A 429 PHE HE% 1.0 1.8 6.00 1422 1002 A 422 CYS HA A 429 PHE HE% 1.0 1.8 6.00 1423 1003 A 422 CYS HB3 A 429 PHE HD% 1.0 1.8 6.00 1424 1004 A 422 CYS HB3 A 429 PHE HE% 1.0 1.8 4.75 1425 1005 A 422 CYS HB2 A 429 PHE HE% 1.0 1.8 3.50 1426 1006 A 422 CYS H A 437 PHE HZ 1.0 1.8 6.00 1427 1007 A 422 CYS H A 437 PHE HD% 1.0 1.8 6.00 1428 1008 A 422 CYS H A 437 PHE HE% 1.0 1.8 4.75 1429 1009 A 422 CYS HA A 437 PHE HZ 1.0 1.8 4.75 1430 1010 A 422 CYS HA A 437 PHE HD% 1.0 1.8 6.00 1431 1011 A 422 CYS HA A 437 PHE HE% 1.0 1.8 3.50 1432 1012 A 422 CYS HB3 A 437 PHE HE% 1.0 1.8 4.75 1433 1013 A 422 CYS HB2 A 437 PHE HE% 1.0 1.8 3.50 1434 1014 A 422 CYS H A 440 HIS HD2 1.0 1.8 6.00 1435 1015 A 422 CYS HA A 440 HIS HD2 1.0 1.8 6.00 1436 1016 A 422 CYS HB3 A 440 HIS HD2 1.0 1.8 4.75 1437 1017 A 422 CYS HB2 A 440 HIS HD2 1.0 1.8 3.50 1438 1018 A 422 CYS HB2 A 440 HIS HE1 1.0 1.8 6.00 1439 1019 A 422 CYS HA A 441 VAL HA 1.0 1.8 6.00 1440 1020 A 422 CYS HA A 441 VAL HGy% 1.0 1.8 6.00 1441 1021 A 422 CYS HB2 A 441 VAL HGy% 1.0 1.8 6.00 1442 1022 A 422 CYS HA A 444 HIS HD2 1.0 1.8 6.00 1443 1023 A 422 CYS HB3 A 444 HIS HD2 1.0 1.8 6.00 1444 1024 A 422 CYS HB2 A 444 HIS HD2 1.0 1.8 4.75 1445 1025 A 437 PHE HZ A 423 PRO HGy 1.0 1.8 6.00 1446 1025 A 423 PRO HGx A 437 PHE HZ 1.0 1.8 6.00 1447 1026 A 437 PHE HE% A 423 PRO HGy 1.0 1.8 6.00 1448 1026 A 437 PHE HE% A 423 PRO HGx 1.0 1.8 6.00 1449 1027 A 437 PHE HZ A 423 PRO HDx 1.0 1.8 4.75 1450 1027 A 423 PRO HDy A 437 PHE HZ 1.0 1.8 4.75 1451 1028 A 437 PHE HE% A 423 PRO HDx 1.0 1.8 4.75 1452 1028 A 437 PHE HE% A 423 PRO HDy 1.0 1.8 4.75 1453 1029 A 440 HIS HD2 A 423 PRO HDx 1.0 1.8 6.00 1454 1029 A 440 HIS HD2 A 423 PRO HDy 1.0 1.8 6.00 1455 1030 A 441 VAL HGx% A 423 PRO HGy 1.0 1.8 6.00 1456 1030 A 441 VAL HGx% A 423 PRO HGx 1.0 1.8 6.00 1457 1031 A 441 VAL HGx% A 423 PRO HDx 1.0 1.8 6.00 1458 1031 A 441 VAL HGx% A 423 PRO HDy 1.0 1.8 6.00 1459 1032 A 441 VAL HGy% A 423 PRO HDx 1.0 1.8 6.00 1460 1032 A 441 VAL HGy% A 423 PRO HDy 1.0 1.8 6.00 1461 1033 A 424 ILE H A 440 HIS HD2 1.0 1.8 6.00 1462 1034 A 424 ILE HG2% A 440 HIS HD2 1.0 1.8 6.00 1463 1035 A 424 ILE HG2% A 440 HIS HE1 1.0 1.8 6.00 1464 1036 A 424 ILE HD1% A 440 HIS HD2 1.0 1.8 6.00 1465 1037 A 424 ILE H A 441 VAL HGx% 1.0 1.8 6.00 1466 1038 A 424 ILE H A 441 VAL HGy% 1.0 1.8 6.00 1467 1039 A 424 ILE HD1% A 441 VAL HA 1.0 1.8 6.00 1468 1040 A 424 ILE H A 444 HIS HD2 1.0 1.8 6.00 1469 1041 A 424 ILE HA A 444 HIS HD2 1.0 1.8 6.00 1470 1042 A 424 ILE HB A 444 HIS HD2 1.0 1.8 4.75 1471 1043 A 424 ILE HB A 444 HIS HE1 1.0 1.8 6.00 1472 1044 A 424 ILE HG2% A 444 HIS H 1.0 1.8 6.00 1473 1045 A 424 ILE HG2% A 444 HIS HA 1.0 1.8 6.00 1474 1046 A 424 ILE HG2% A 444 HIS HB3 1.0 1.8 6.00 1475 1047 A 424 ILE HG2% A 444 HIS HB2 1.0 1.8 6.00 1476 1048 A 424 ILE HG2% A 444 HIS HD2 1.0 1.8 6.00 1477 1049 A 424 ILE HG2% A 444 HIS HE1 1.0 1.8 6.00 1478 1050 A 424 ILE HD1% A 444 HIS H 1.0 1.8 6.00 1479 1051 A 424 ILE HD1% A 444 HIS HB3 1.0 1.8 4.75 1480 1052 A 424 ILE HD1% A 444 HIS HB2 1.0 1.8 4.75 1481 1053 A 424 ILE HD1% A 444 HIS HD2 1.0 1.8 4.75 1482 1054 A 424 ILE HD1% A 444 HIS HE1 1.0 1.8 6.00 1483 1055 A 444 HIS HD2 A 424 ILE HG1y 1.0 1.8 6.00 1484 1055 A 424 ILE HG1x A 444 HIS HD2 1.0 1.8 6.00 1485 1056 A 424 ILE HD1% A 445 SER HB2 1.0 1.8 6.00 1486 1056 A 424 ILE HD1% A 445 SER HB3 1.0 1.8 6.00 1487 1057 A 425 CYS H A 440 HIS HD2 1.0 1.8 6.00 1488 1058 A 425 CYS HB3 A 440 HIS HE1 1.0 1.8 6.00 1489 1059 A 425 CYS H A 444 HIS HD2 1.0 1.8 6.00 1490 1060 A 425 CYS H A 444 HIS HE1 1.0 1.8 6.00 1491 1061 A 425 CYS HA A 444 HIS HE1 1.0 1.8 6.00 1492 1062 A 425 CYS HB3 A 444 HIS HE1 1.0 1.8 4.75 1493 1063 A 425 CYS HB2 A 444 HIS HE1 1.0 1.8 4.75 1494 1064 A 440 HIS HD2 A 427 LYS HBx 1.0 1.8 6.00 1495 1064 A 427 LYS HBy A 440 HIS HD2 1.0 1.8 6.00 1496 1065 A 440 HIS HE1 A 427 LYS HBx 1.0 1.8 4.75 1497 1065 A 427 LYS HBy A 440 HIS HE1 1.0 1.8 4.75 1498 1066 A 440 HIS HE1 A 427 LYS HG2 1.0 1.8 4.75 1499 1066 A 427 LYS HG3 A 440 HIS HE1 1.0 1.8 4.75 1500 1067 A 440 HIS HE1 A 427 LYS HDy 1.0 1.8 4.75 1501 1067 A 427 LYS HDx A 440 HIS HE1 1.0 1.8 4.75 1502 1068 A 440 HIS HE1 A 427 LYS HEx 1.0 1.8 6.00 1503 1068 A 427 LYS HEy A 440 HIS HE1 1.0 1.8 6.00 1504 1069 A 429 PHE HB3 A 436 ILE HG2% 1.0 1.8 6.00 1505 1070 A 436 ILE HG2% A 429 PHE HZ 1.0 1.8 6.00 1506 1071 A 429 PHE HD% A 436 ILE HB 1.0 1.8 4.75 1507 1072 A 429 PHE HD% A 436 ILE HG2% 1.0 1.8 4.75 1508 1073 A 429 PHE HD% A 436 ILE HD1% 1.0 1.8 6.00 1509 1074 A 429 PHE HD% A 436 ILE HG1x 1.0 1.8 6.00 1510 1074 A 429 PHE HD% A 436 ILE HG1y 1.0 1.8 6.00 1511 1075 A 429 PHE HE% A 436 ILE HB 1.0 1.8 6.00 1512 1076 A 429 PHE HE% A 436 ILE HG2% 1.0 1.8 4.75 1513 1077 A 429 PHE HE% A 436 ILE HD1% 1.0 1.8 6.00 1514 1078 A 429 PHE HE% A 436 ILE HG1x 1.0 1.8 6.00 1515 1078 A 429 PHE HE% A 436 ILE HG1y 1.0 1.8 6.00 1516 1079 A 429 PHE H A 437 PHE HD% 1.0 1.8 6.00 1517 1080 A 429 PHE H A 437 PHE HE% 1.0 1.8 6.00 1518 1081 A 429 PHE HA A 437 PHE HD% 1.0 1.8 6.00 1519 1082 A 429 PHE HB3 A 437 PHE HB2 1.0 1.8 4.75 1520 1083 A 429 PHE HB3 A 437 PHE HD% 1.0 1.8 4.75 1521 1084 A 429 PHE HB2 A 437 PHE HB2 1.0 1.8 4.75 1522 1085 A 429 PHE HB2 A 437 PHE HD% 1.0 1.8 4.75 1523 1086 A 429 PHE HB2 A 437 PHE HE% 1.0 1.8 6.00 1524 1087 A 437 PHE HA A 429 PHE HZ 1.0 1.8 6.00 1525 1088 A 437 PHE HD% A 429 PHE HZ 1.0 1.8 6.00 1526 1089 A 429 PHE HD% A 437 PHE H 1.0 1.8 6.00 1527 1090 A 429 PHE HD% A 437 PHE HA 1.0 1.8 4.75 1528 1091 A 429 PHE HD% A 437 PHE HB3 1.0 1.8 6.00 1529 1092 A 429 PHE HD% A 437 PHE HB2 1.0 1.8 4.75 1530 1093 A 429 PHE HD% A 437 PHE HD% 1.0 1.8 3.50 1531 1094 A 429 PHE HD% A 437 PHE HE% 1.0 1.8 4.75 1532 1095 A 429 PHE HE% A 437 PHE HA 1.0 1.8 4.75 1533 1096 A 429 PHE HE% A 437 PHE HD% 1.0 1.8 3.50 1534 1097 A 440 HIS H A 429 PHE HZ 1.0 1.8 6.00 1535 1098 A 440 HIS HA A 429 PHE HZ 1.0 1.8 6.00 1536 1099 A 440 HIS HBx A 429 PHE HZ 1.0 1.8 4.75 1537 1100 A 440 HIS HBy A 429 PHE HZ 1.0 1.8 4.75 1538 1101 A 440 HIS HD2 A 429 PHE HZ 1.0 1.8 6.00 1539 1102 A 440 HIS HE1 A 429 PHE HZ 1.0 1.8 6.00 1540 1103 A 429 PHE HD% A 440 HIS HBx 1.0 1.8 6.00 1541 1104 A 429 PHE HD% A 440 HIS HD2 1.0 1.8 6.00 1542 1105 A 429 PHE HE% A 440 HIS H 1.0 1.8 6.00 1543 1106 A 429 PHE HE% A 440 HIS HBx 1.0 1.8 6.00 1544 1107 A 429 PHE HE% A 440 HIS HD2 1.0 1.8 4.75 1545 1108 A 429 PHE HE% A 440 HIS HE1 1.0 1.8 6.00 1546 1109 A 441 VAL H A 429 PHE HZ 1.0 1.8 6.00 1547 1110 A 429 PHE HD% A 441 VAL HGx% 1.0 1.8 6.00 1548 1111 A 429 PHE HD% A 441 VAL HGy% 1.0 1.8 6.00 1549 1112 A 429 PHE HE% A 441 VAL HGy% 1.0 1.8 6.00 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 undefined _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 422 CYS SG A 425 CYS SG 1.0 3.55 3.95 2 2 A 422 CYS SG A 440 HIS NE2 1.0 3.25 3.65 3 3 A 422 CYS SG A 444 HIS NE2 1.0 3.25 3.65 4 4 A 425 CYS SG A 440 HIS NE2 1.0 3.25 3.65 5 5 A 425 CYS SG A 444 HIS NE2 1.0 3.25 3.65 6 6 A 440 HIS NE2 A 444 HIS NE2 1.0 2.95 3.35 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 429 PHE H A 420 PHE O 1.0 1.8 2.1 2 2 A 420 PHE O A 429 PHE N 1.0 2.7 3.1 3 3 A 438 GLU H A 434 LYS O 1.0 1.8 2.1 4 4 A 434 LYS O A 438 GLU N 1.0 2.7 3.1 5 5 A 438 GLU H A 434 LYS O 1.0 1.8 2.1 6 6 A 434 LYS O A 438 GLU N 1.0 2.7 3.1 7 7 A 439 ASP H A 435 GLN O 1.0 1.8 2.1 8 8 A 435 GLN O A 439 ASP N 1.0 2.7 3.1 9 9 A 440 HIS H A 436 ILE O 1.0 1.8 2.1 10 10 A 436 ILE O A 440 HIS N 1.0 2.7 3.1 11 11 A 441 VAL H A 437 PHE O 1.0 1.8 2.1 12 12 A 437 PHE O A 441 VAL N 1.0 2.7 3.1 13 13 A 442 PHE H A 438 GLU O 1.0 1.8 2.1 14 14 A 438 GLU O A 442 PHE N 1.0 2.7 3.1 15 15 A 443 CYS H A 439 ASP O 1.0 1.8 2.1 16 16 A 439 ASP O A 443 CYS N 1.0 2.7 3.1 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 420 PHE N A 420 PHE CA A 420 PHE CB A 420 PHE CG 1.0 -105.0 -15.0 CHI1 2 2 A 429 PHE N A 429 PHE CA A 429 PHE CB A 429 PHE CG 1.0 -105.0 -15.0 CHI1 3 3 A 437 PHE N A 437 PHE CA A 437 PHE CB A 437 PHE CG 1.0 135.0 225.0 CHI1 4 4 A 440 HIS N A 440 HIS CA A 440 HIS CB A 440 HIS CG 1.0 135.0 225.0 CHI1 5 5 A 441 VAL N A 441 VAL CA A 441 VAL CB A 441 VAL CG1 1.0 135.0 225.0 CHI1 6 6 A 442 PHE N A 442 PHE CA A 442 PHE CB A 442 PHE CG 1.0 -105.0 -15.0 CHI1 stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 395 LYS C A 396 LYS N A 396 LYS CA A 396 LYS C 1.0 -118.0 -82.0 PHI 2 2 A 396 LYS C A 397 CYS N A 397 CYS CA A 397 CYS C 1.0 -127.0 -73.0 PHI 3 3 A 397 CYS C A 398 PRO N A 398 PRO CA A 398 PRO C 1.0 -69.0 -51.0 PHI 4 4 A 400 CYS C A 401 LYS N A 401 LYS CA A 401 LYS C 1.0 -82.0 -50.0 PHI 5 5 A 401 LYS C A 402 ALA N A 402 ALA CA A 402 ALA C 1.0 -81.0 -63.0 PHI 6 6 A 402 ALA C A 403 ASP N A 403 ASP CA A 403 ASP C 1.0 -116.0 -84.0 PHI 7 7 A 406 CYS C A 407 ASP N A 407 ASP CA A 407 ASP C 1.0 -132.0 -74.0 PHI 8 8 A 407 ASP C A 408 HIS N A 408 HIS CA A 408 HIS C 1.0 -87.0 -59.0 PHI 9 9 A 409 THR C A 410 LEU N A 410 LEU CA A 410 LEU C 1.0 -65.0 -55.0 PHI 10 10 A 410 LEU C A 411 GLU N A 411 GLU CA A 411 GLU C 1.0 -67.0 -57.0 PHI 11 11 A 411 GLU C A 412 GLN N A 412 GLN CA A 412 GLN C 1.0 -72.0 -60.0 PHI 12 12 A 412 GLN C A 413 GLN N A 413 GLN CA A 413 GLN C 1.0 -80.0 -56.0 PHI 13 13 A 416 GLN C A 417 PRO N A 417 PRO CA A 417 PRO C 1.0 -79.0 -61.0 PHI 14 14 A 417 PRO C A 418 LEU N A 418 LEU CA A 418 LEU C 1.0 -108.0 -78.0 PHI 15 15 A 418 LEU C A 419 CYS N A 419 CYS CA A 419 CYS C 1.0 -156.0 -130.0 PHI 16 16 A 419 CYS C A 420 PHE N A 420 PHE CA A 420 PHE C 1.0 -138.0 -96.0 PHI 17 17 A 420 PHE C A 421 ASN N A 421 ASN CA A 421 ASN C 1.0 -140.0 -104.0 PHI 18 18 A 421 ASN C A 422 CYS N A 422 CYS CA A 422 CYS C 1.0 -115.0 -75.0 PHI 19 19 A 423 PRO C A 424 ILE N A 424 ILE CA A 424 ILE C 1.0 -107.0 -83.0 PHI 20 20 A 426 ASP C A 427 LYS N A 427 LYS CA A 427 LYS C 1.0 -115.0 1.0 PHI 21 21 A 427 LYS C A 428 ILE N A 428 ILE CA A 428 ILE C 1.0 -128.0 -98.0 PHI 22 22 A 428 ILE C A 429 PHE N A 429 PHE CA A 429 PHE C 1.0 -138.0 -100.0 PHI 23 23 A 429 PHE C A 430 PRO N A 430 PRO CA A 430 PRO C 1.0 -69.0 -55.0 PHI 24 24 A 430 PRO C A 431 ALA N A 431 ALA CA A 431 ALA C 1.0 -70.0 -54.0 PHI 25 25 A 431 ALA C A 432 THR N A 432 THR CA A 432 THR C 1.0 -102.0 -62.0 PHI 26 26 A 432 THR C A 433 GLU N A 433 GLU CA A 433 GLU C 1.0 -122.0 -76.0 PHI 27 27 A 433 GLU C A 434 LYS N A 434 LYS CA A 434 LYS C 1.0 -65.0 -55.0 PHI 28 28 A 434 LYS C A 435 GLN N A 435 GLN CA A 435 GLN C 1.0 -64.0 -52.0 PHI 29 29 A 435 GLN C A 436 ILE N A 436 ILE CA A 436 ILE C 1.0 -72.0 -60.0 PHI 30 30 A 436 ILE C A 437 PHE N A 437 PHE CA A 437 PHE C 1.0 -72.0 -62.0 PHI 31 31 A 437 PHE C A 438 GLU N A 438 GLU CA A 438 GLU C 1.0 -67.0 -59.0 PHI 32 32 A 438 GLU C A 439 ASP N A 439 ASP CA A 439 ASP C 1.0 -67.0 -59.0 PHI 33 33 A 439 ASP C A 440 HIS N A 440 HIS CA A 440 HIS C 1.0 -68.0 -58.0 PHI 34 34 A 440 HIS C A 441 VAL N A 441 VAL CA A 441 VAL C 1.0 -69.0 -59.0 PHI 35 35 A 441 VAL C A 442 PHE N A 442 PHE CA A 442 PHE C 1.0 -69.0 -59.0 PHI 36 36 A 442 PHE C A 443 CYS N A 443 CYS CA A 443 CYS C 1.0 -69.0 -55.0 PHI 37 37 A 443 CYS C A 444 HIS N A 444 HIS CA A 444 HIS C 1.0 -79.0 -61.0 PHI 38 38 A 444 HIS C A 445 SER N A 445 SER CA A 445 SER C 1.0 -104.0 -88.0 PHI 39 39 A 396 LYS N A 396 LYS CA A 396 LYS C A 397 CYS N 1.0 104.0 140.0 PSI 40 40 A 397 CYS N A 397 CYS CA A 397 CYS C A 398 PRO N 1.0 123.0 147.0 PSI 41 41 A 398 PRO N A 398 PRO CA A 398 PRO C A 399 ILE N 1.0 134.0 152.0 PSI 42 42 A 401 LYS N A 401 LYS CA A 401 LYS C A 402 ALA N 1.0 -49.0 -23.0 PSI 43 43 A 402 ALA N A 402 ALA CA A 402 ALA C A 403 ASP N 1.0 -40.0 -16.0 PSI 44 44 A 403 ASP N A 403 ASP CA A 403 ASP C A 404 ASP N 1.0 -23.0 11.0 PSI 45 45 A 407 ASP N A 407 ASP CA A 407 ASP C A 408 HIS N 1.0 90.0 160.0 PSI 46 46 A 408 HIS N A 408 HIS CA A 408 HIS C A 409 THR N 1.0 -41.0 -17.0 PSI 47 47 A 410 LEU N A 410 LEU CA A 410 LEU C A 411 GLU N 1.0 -42.0 -26.0 PSI 48 48 A 411 GLU N A 411 GLU CA A 411 GLU C A 412 GLN N 1.0 -48.0 -28.0 PSI 49 49 A 412 GLN N A 412 GLN CA A 412 GLN C A 413 GLN N 1.0 -49.0 -29.0 PSI 50 50 A 413 GLN N A 413 GLN CA A 413 GLN C A 414 GLN N 1.0 -47.0 -21.0 PSI 51 51 A 417 PRO N A 417 PRO CA A 417 PRO C A 418 LEU N 1.0 140.0 162.0 PSI 52 52 A 418 LEU N A 418 LEU CA A 418 LEU C A 419 CYS N 1.0 -40.0 -6.0 PSI 53 53 A 419 CYS N A 419 CYS CA A 419 CYS C A 420 PHE N 1.0 158.0 168.0 PSI 54 54 A 420 PHE N A 420 PHE CA A 420 PHE C A 421 ASN N 1.0 122.0 158.0 PSI 55 55 A 421 ASN N A 421 ASN CA A 421 ASN C A 422 CYS N 1.0 113.0 135.0 PSI 56 56 A 422 CYS N A 422 CYS CA A 422 CYS C A 423 PRO N 1.0 113.0 149.0 PSI 57 57 A 424 ILE N A 424 ILE CA A 424 ILE C A 425 CYS N 1.0 -39.0 -3.0 PSI 58 58 A 427 LYS N A 427 LYS CA A 427 LYS C A 428 ILE N 1.0 118.0 156.0 PSI 59 59 A 428 ILE N A 428 ILE CA A 428 ILE C A 429 PHE N 1.0 123.0 161.0 PSI 60 60 A 429 PHE N A 429 PHE CA A 429 PHE C A 430 PRO N 1.0 109.0 143.0 PSI 61 61 A 430 PRO N A 430 PRO CA A 430 PRO C A 431 ALA N 1.0 135.0 157.0 PSI 62 62 A 431 ALA N A 431 ALA CA A 431 ALA C A 432 THR N 1.0 -33.0 -5.0 PSI 63 63 A 432 THR N A 432 THR CA A 432 THR C A 433 GLU N 1.0 -31.0 5.0 PSI 64 64 A 433 GLU N A 433 GLU CA A 433 GLU C A 434 LYS N 1.0 -30.0 18.0 PSI 65 65 A 434 LYS N A 434 LYS CA A 434 LYS C A 435 GLN N 1.0 -51.0 -31.0 PSI 66 66 A 435 GLN N A 435 GLN CA A 435 GLN C A 436 ILE N 1.0 -49.0 -37.0 PSI 67 67 A 436 ILE N A 436 ILE CA A 436 ILE C A 437 PHE N 1.0 -46.0 -34.0 PSI 68 68 A 437 PHE N A 437 PHE CA A 437 PHE C A 438 GLU N 1.0 -47.0 -33.0 PSI 69 69 A 438 GLU N A 438 GLU CA A 438 GLU C A 439 ASP N 1.0 -44.0 -36.0 PSI 70 70 A 439 ASP N A 439 ASP CA A 439 ASP C A 440 HIS N 1.0 -47.0 -37.0 PSI 71 71 A 440 HIS N A 440 HIS CA A 440 HIS C A 441 VAL N 1.0 -47.0 -37.0 PSI 72 72 A 441 VAL N A 441 VAL CA A 441 VAL C A 442 PHE N 1.0 -55.0 -33.0 PSI 73 73 A 442 PHE N A 442 PHE CA A 442 PHE C A 443 CYS N 1.0 -50.0 -34.0 PSI 74 74 A 443 CYS N A 443 CYS CA A 443 CYS C A 444 HIS N 1.0 -41.0 -21.0 PSI 75 75 A 444 HIS N A 444 HIS CA A 444 HIS C A 445 SER N 1.0 -37.0 -5.0 PSI 76 76 A 445 SER N A 445 SER CA A 445 SER C A 446 LEU N 1.0 -15.0 11.0 PSI stop_ save_