data_nef_c18642_2lwr save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2JMO BMRB 15074 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 61 CYS SG 2 2 ZN ZN 1 50 CYS SG 2 2 ZN ZN 1 53 CYS SG 2 2 ZN ZN 1 40 CYS SG 2 1 ZN ZN 1 25 CYS SG 2 1 ZN ZN 1 45 CYS SG 2 1 ZN ZN 1 22 CYS SG 2 1 ZN ZN 1 65 HIS NE2 2 2 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 GLY start . false 2 A 0 SER middle . . 3 A 417 ALA middle . . 4 A 418 GLU middle . . 5 A 419 ALA middle . . 6 A 420 ARG middle . . 7 A 421 TRP middle . . 8 A 422 ASP middle . . 9 A 423 GLU middle . . 10 A 424 ALA middle . . 11 A 425 SER middle . . 12 A 426 ASN middle . . 13 A 427 VAL middle . . 14 A 428 THR middle . . 15 A 429 ILE middle . . 16 A 430 LYS middle . . 17 A 431 VAL middle . . 18 A 432 SER middle . . 19 A 433 THR middle . . 20 A 434 LYS middle . . 21 A 435 PRO middle . false 22 A 436 CYS middle -HG . 23 A 437 PRO middle . false 24 A 438 LYS middle . . 25 A 439 CYS middle -HG . 26 A 440 ARG middle . . 27 A 441 THR middle . . 28 A 442 PRO middle . false 29 A 443 THR middle . . 30 A 444 GLU middle . . 31 A 445 ARG middle . . 32 A 446 ASP middle . . 33 A 447 GLY middle . false 34 A 448 GLY middle . false 35 A 449 CYS middle . . 36 A 450 MET middle . . 37 A 451 HIS middle . . 38 A 452 MET middle . . 39 A 453 VAL middle . . 40 A 454 CYS middle -HG . 41 A 455 THR middle . . 42 A 456 ARG middle . . 43 A 457 ALA middle . . 44 A 458 GLY middle . false 45 A 459 CYS middle -HG . 46 A 460 GLY middle . false 47 A 461 PHE middle . . 48 A 462 GLU middle . . 49 A 463 TRP middle . . 50 A 464 CYS middle -HG . 51 A 465 TRP middle . . 52 A 466 VAL middle . . 53 A 467 CYS middle -HG . 54 A 468 GLN middle . . 55 A 469 THR middle . . 56 A 470 GLU middle . . 57 A 471 TRP middle . . 58 A 472 THR middle . . 59 A 473 ARG middle . . 60 A 474 ASP middle . . 61 A 475 CYS middle -HG . 62 A 476 MET middle . . 63 A 477 GLY middle . false 64 A 478 ALA middle . . 65 A 479 HIS middle -HE2 . 66 A 480 TRP middle . . 67 A 481 PHE middle . . 68 A 482 GLY end . false 69 B 1 ZN . . . 70 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 417 ALA C C 13 177.7490 0.400 A 417 ALA CA C 13 52.8470 0.400 A 417 ALA CB C 13 19.1360 0.400 A 418 GLU H H 1 8.2880 0.025 A 418 GLU HA H 1 4.2130 0.025 A 418 GLU HBy H 1 2.0500 0.025 A 418 GLU HBx H 1 1.9230 0.025 A 418 GLU HGx H 1 2.2570 0.025 A 418 GLU C C 13 176.1500 0.400 A 418 GLU CA C 13 56.8360 0.400 A 418 GLU CB C 13 30.6480 0.400 A 418 GLU CG C 13 36.2320 0.400 A 418 GLU N N 15 119.6290 0.400 A 419 ALA H H 1 8.1710 0.025 A 419 ALA HA H 1 4.2540 0.025 A 419 ALA HB% H 1 1.2970 0.025 A 419 ALA C C 13 177.3550 0.400 A 419 ALA CA C 13 52.5320 0.400 A 419 ALA CB C 13 19.1880 0.400 A 419 ALA N N 15 125.2100 0.400 A 420 ARG H H 1 8.1770 0.025 A 420 ARG HA H 1 4.2980 0.025 A 420 ARG HBy H 1 1.7460 0.025 A 420 ARG HBx H 1 1.6800 0.025 A 420 ARG HDx H 1 3.1270 0.025 A 420 ARG HGx H 1 1.5050 0.025 A 420 ARG HGy H 1 1.5050 0.025 A 420 ARG C C 13 176.2990 0.400 A 420 ARG CA C 13 55.9230 0.400 A 420 ARG CB C 13 30.8360 0.400 A 420 ARG CD C 13 43.1500 0.400 A 420 ARG CG C 13 27.2280 0.400 A 420 ARG N N 15 120.1810 0.400 A 421 TRP H H 1 8.1820 0.025 A 421 TRP HA H 1 4.6740 0.025 A 421 TRP HBx H 1 3.3490 0.025 A 421 TRP HBy H 1 3.7020 0.025 A 421 TRP HD1 H 1 7.2330 0.025 A 421 TRP HE1 H 1 10.1300 0.025 A 421 TRP HE3 H 1 7.6500 0.025 A 421 TRP HH2 H 1 7.2730 0.025 A 421 TRP HZ2 H 1 7.5000 0.025 A 421 TRP HZ3 H 1 7.1590 0.025 A 421 TRP C C 13 175.7860 0.400 A 421 TRP CA C 13 57.5870 0.400 A 421 TRP CB C 13 29.9690 0.400 A 421 TRP CD1 C 13 127.0400 0.400 A 421 TRP CE3 C 13 121.1230 0.400 A 421 TRP CH2 C 13 124.8400 0.400 A 421 TRP CZ2 C 13 114.7110 0.400 A 421 TRP CZ3 C 13 122.2730 0.400 A 421 TRP N N 15 122.2520 0.400 A 421 TRP NE1 N 15 129.4400 0.400 A 422 ASP H H 1 8.1160 0.025 A 422 ASP HA H 1 4.4930 0.025 A 422 ASP HBy H 1 2.4970 0.025 A 422 ASP HBx H 1 2.4120 0.025 A 422 ASP C C 13 175.7860 0.400 A 422 ASP CA C 13 53.8200 0.400 A 422 ASP CB C 13 41.0490 0.400 A 422 ASP N N 15 121.7220 0.400 A 423 GLU H H 1 8.1100 0.025 A 423 GLU HA H 1 4.0980 0.025 A 423 GLU HBy H 1 2.0530 0.025 A 423 GLU HBx H 1 1.9400 0.025 A 423 GLU HGx H 1 2.2570 0.025 A 423 GLU C C 13 176.2070 0.400 A 423 GLU CA C 13 57.2830 0.400 A 423 GLU CB C 13 30.0080 0.400 A 423 GLU CG C 13 36.2320 0.400 A 423 GLU N N 15 121.7260 0.400 A 424 ALA H H 1 8.2420 0.025 A 424 ALA HA H 1 4.2900 0.025 A 424 ALA HB% H 1 1.4080 0.025 A 424 ALA C C 13 180.0430 0.400 A 424 ALA CA C 13 52.7480 0.400 A 424 ALA CB C 13 19.2750 0.400 A 424 ALA N N 15 123.6510 0.400 A 425 SER H H 1 8.0700 0.025 A 425 SER HA H 1 4.3940 0.025 A 425 SER HBx H 1 3.8710 0.025 A 425 SER CA C 13 58.8790 0.400 A 425 SER CB C 13 63.5070 0.400 A 425 SER N N 15 113.8830 0.400 A 426 ASN H H 1 8.2760 0.025 A 426 ASN HA H 1 4.7290 0.025 A 426 ASN HBy H 1 2.8510 0.025 A 426 ASN HBx H 1 2.7710 0.025 A 426 ASN HD2y H 1 7.5780 0.025 A 426 ASN HD2x H 1 6.8610 0.025 A 426 ASN CA C 13 53.3400 0.400 A 426 ASN CB C 13 38.7280 0.400 A 426 ASN N N 15 120.5660 0.400 A 426 ASN ND2 N 15 112.7700 0.400 A 427 VAL H H 1 7.9500 0.025 A 427 VAL HA H 1 4.1760 0.025 A 427 VAL HB H 1 2.1190 0.025 A 427 VAL HGy% H 1 0.9320 0.025 A 427 VAL CA C 13 62.3290 0.400 A 427 VAL CB C 13 32.6260 0.400 A 427 VAL CGy C 13 20.9200 0.400 A 427 VAL N N 15 119.3900 0.400 A 428 THR H H 1 8.2180 0.025 A 428 THR HA H 1 4.3590 0.025 A 428 THR HB H 1 4.1660 0.025 A 428 THR HG2% H 1 1.2000 0.025 A 428 THR CA C 13 62.2300 0.400 A 428 THR CB C 13 69.5610 0.400 A 428 THR CG2 C 13 22.0200 0.400 A 428 THR N N 15 118.2030 0.400 A 429 ILE H H 1 8.1350 0.025 A 429 ILE HA H 1 4.1870 0.025 A 429 ILE HB H 1 1.8640 0.025 A 429 ILE HD1% H 1 0.8570 0.025 A 429 ILE HG1y H 1 1.4810 0.025 A 429 ILE HG1x H 1 1.1700 0.025 A 429 ILE HG2% H 1 0.9000 0.025 A 429 ILE CA C 13 60.8990 0.400 A 429 ILE CB C 13 38.7150 0.400 A 429 ILE CD1 C 13 12.7200 0.400 A 429 ILE CG1 C 13 27.0880 0.400 A 429 ILE CG2 C 13 17.5150 0.400 A 429 ILE N N 15 124.0640 0.400 A 430 LYS H H 1 8.4040 0.025 A 430 LYS HA H 1 4.4360 0.025 A 430 LYS HBy H 1 1.8430 0.025 A 430 LYS HBx H 1 1.7720 0.025 A 430 LYS HDx H 1 1.6890 0.025 A 430 LYS HEy H 1 3.0230 0.025 A 430 LYS HEx H 1 1.4060 0.025 A 430 LYS HGy H 1 1.4600 0.025 A 430 LYS HGx H 1 1.3960 0.025 A 430 LYS CA C 13 55.8800 0.400 A 430 LYS CB C 13 33.3870 0.400 A 430 LYS CD C 13 29.0460 0.400 A 430 LYS CE C 13 42.1940 0.400 A 430 LYS CG C 13 24.6600 0.400 A 430 LYS N N 15 126.2890 0.400 A 431 VAL H H 1 8.2800 0.025 A 431 VAL HA H 1 4.2960 0.025 A 431 VAL HB H 1 2.1730 0.025 A 431 VAL HGx% H 1 1.0100 0.025 A 431 VAL CA C 13 62.3840 0.400 A 431 VAL CB C 13 33.2740 0.400 A 431 VAL CGx C 13 21.1270 0.400 A 431 VAL N N 15 122.1970 0.400 A 432 SER HA H 1 4.4860 0.025 A 432 SER HBx H 1 3.9010 0.025 A 432 SER C C 13 173.7770 0.400 A 432 SER CA C 13 58.6500 0.400 A 432 SER CB C 13 64.5340 0.400 A 433 THR H H 1 7.8300 0.025 A 433 THR HA H 1 5.4520 0.025 A 433 THR HB H 1 3.9720 0.025 A 433 THR HG2% H 1 1.1290 0.025 A 433 THR C C 13 174.1140 0.400 A 433 THR CA C 13 60.6410 0.400 A 433 THR CB C 13 72.1800 0.400 A 433 THR CG2 C 13 21.9450 0.400 A 433 THR N N 15 114.3040 0.400 A 434 LYS H H 1 8.8870 0.025 A 434 LYS HA H 1 4.7090 0.025 A 434 LYS HBy H 1 1.4670 0.025 A 434 LYS HBx H 1 1.3450 0.025 A 434 LYS HDy H 1 1.0060 0.025 A 434 LYS HDx H 1 -0.0980 0.025 A 434 LYS HEy H 1 2.4250 0.025 A 434 LYS HEx H 1 1.9880 0.025 A 434 LYS HGy H 1 1.1010 0.025 A 434 LYS HGx H 1 0.7770 0.025 A 434 LYS CA C 13 54.4000 0.400 A 434 LYS CB C 13 36.9590 0.400 A 434 LYS CD C 13 29.8000 0.400 A 434 LYS CE C 13 42.2330 0.400 A 434 LYS CG C 13 26.3810 0.400 A 434 LYS N N 15 122.1270 0.400 A 435 PRO HA H 1 4.2600 0.025 A 435 PRO HBy H 1 1.8320 0.025 A 435 PRO HBx H 1 1.3070 0.025 A 435 PRO HDy H 1 3.6920 0.025 A 435 PRO HDx H 1 3.4120 0.025 A 435 PRO HGy H 1 1.9350 0.025 A 435 PRO HGx H 1 1.8150 0.025 A 435 PRO C C 13 175.2920 0.400 A 435 PRO CA C 13 60.7740 0.400 A 435 PRO CB C 13 30.9130 0.400 A 435 PRO CD C 13 50.1540 0.400 A 435 PRO CG C 13 27.1810 0.400 A 436 CYS H H 1 7.7900 0.025 A 436 CYS HA H 1 3.4770 0.025 A 436 CYS HBx H 1 3.1100 0.025 A 436 CYS CA C 13 56.9400 0.400 A 436 CYS CB C 13 31.6900 0.400 A 436 CYS N N 15 125.2270 0.400 A 437 PRO HA H 1 3.8140 0.025 A 437 PRO HBy H 1 2.2250 0.025 A 437 PRO HBx H 1 1.5000 0.025 A 437 PRO HDy H 1 2.0560 0.025 A 437 PRO HDx H 1 1.6960 0.025 A 437 PRO HGy H 1 1.4100 0.025 A 437 PRO HGx H 1 1.2840 0.025 A 437 PRO C C 13 176.3990 0.400 A 437 PRO CA C 13 64.2370 0.400 A 437 PRO CB C 13 32.5340 0.400 A 437 PRO CD C 13 49.2170 0.400 A 437 PRO CG C 13 27.2880 0.400 A 438 LYS H H 1 8.3600 0.025 A 438 LYS HA H 1 3.9760 0.025 A 438 LYS HBy H 1 1.4330 0.025 A 438 LYS HBx H 1 0.4040 0.025 A 438 LYS HDy H 1 1.6050 0.025 A 438 LYS HDx H 1 1.3150 0.025 A 438 LYS HEx H 1 2.7550 0.025 A 438 LYS HGy H 1 0.8620 0.025 A 438 LYS HGx H 1 0.7850 0.025 A 438 LYS C C 13 176.9160 0.400 A 438 LYS CA C 13 57.5540 0.400 A 438 LYS CB C 13 33.3740 0.400 A 438 LYS CD C 13 28.9690 0.400 A 438 LYS CE C 13 42.1960 0.400 A 438 LYS CG C 13 24.7680 0.400 A 438 LYS N N 15 118.2390 0.400 A 439 CYS H H 1 8.3360 0.025 A 439 CYS HA H 1 4.7590 0.025 A 439 CYS HBy H 1 3.2020 0.025 A 439 CYS HBx H 1 2.8890 0.025 A 439 CYS C C 13 176.5940 0.400 A 439 CYS CA C 13 59.3330 0.400 A 439 CYS CB C 13 31.5550 0.400 A 439 CYS N N 15 118.6630 0.400 A 440 ARG H H 1 8.1080 0.025 A 440 ARG HA H 1 3.9710 0.025 A 440 ARG HBy H 1 2.1780 0.025 A 440 ARG HBx H 1 1.9850 0.025 A 440 ARG HDy H 1 3.0370 0.025 A 440 ARG HDx H 1 2.9910 0.025 A 440 ARG HGy H 1 1.4790 0.025 A 440 ARG HGx H 1 1.3590 0.025 A 440 ARG C C 13 175.2700 0.400 A 440 ARG CA C 13 57.1830 0.400 A 440 ARG CB C 13 26.2330 0.400 A 440 ARG CD C 13 42.2220 0.400 A 440 ARG CG C 13 26.4190 0.400 A 440 ARG N N 15 116.9570 0.400 A 441 THR H H 1 8.6800 0.025 A 441 THR HA H 1 4.3740 0.025 A 441 THR HB H 1 4.0340 0.025 A 441 THR HG2% H 1 1.2850 0.025 A 441 THR CA C 13 63.2290 0.400 A 441 THR CB C 13 68.8470 0.400 A 441 THR CG2 C 13 21.0230 0.400 A 441 THR N N 15 122.1420 0.400 A 442 PRO HA H 1 4.1560 0.025 A 442 PRO HBy H 1 2.2020 0.025 A 442 PRO HBx H 1 1.9410 0.025 A 442 PRO HDy H 1 4.2270 0.025 A 442 PRO HDx H 1 3.7830 0.025 A 442 PRO HGy H 1 2.2040 0.025 A 442 PRO HGx H 1 1.9420 0.025 A 442 PRO C C 13 176.2230 0.400 A 442 PRO CA C 13 64.2190 0.400 A 442 PRO CB C 13 31.8000 0.400 A 442 PRO CD C 13 51.9280 0.400 A 442 PRO CG C 13 28.0870 0.400 A 443 THR H H 1 9.1100 0.025 A 443 THR HA H 1 4.7300 0.025 A 443 THR HB H 1 4.6900 0.025 A 443 THR HG2% H 1 1.5540 0.025 A 443 THR C C 13 172.2210 0.400 A 443 THR CA C 13 62.5240 0.400 A 443 THR CB C 13 71.5650 0.400 A 443 THR CG2 C 13 21.1410 0.400 A 443 THR N N 15 122.8540 0.400 A 444 GLU H H 1 8.7300 0.025 A 444 GLU HA H 1 4.9330 0.025 A 444 GLU HBy H 1 1.9870 0.025 A 444 GLU HBx H 1 1.8820 0.025 A 444 GLU HGx H 1 2.2570 0.025 A 444 GLU HGy H 1 2.6360 0.025 A 444 GLU C C 13 175.3080 0.400 A 444 GLU CA C 13 55.0000 0.400 A 444 GLU CB C 13 31.6990 0.400 A 444 GLU CG C 13 36.9200 0.400 A 444 GLU N N 15 126.0540 0.400 A 445 ARG H H 1 8.1800 0.025 A 445 ARG HA H 1 3.7130 0.025 A 445 ARG HBy H 1 0.8830 0.025 A 445 ARG HBx H 1 0.2150 0.025 A 445 ARG HDy H 1 2.0930 0.025 A 445 ARG HDx H 1 1.6310 0.025 A 445 ARG HGy H 1 0.7840 0.025 A 445 ARG HGx H 1 0.6090 0.025 A 445 ARG C C 13 175.2470 0.400 A 445 ARG CA C 13 56.2150 0.400 A 445 ARG CB C 13 30.7970 0.400 A 445 ARG CD C 13 43.1330 0.400 A 445 ARG CG C 13 26.6400 0.400 A 445 ARG N N 15 123.5580 0.400 A 446 ASP H H 1 8.4870 0.025 A 446 ASP HA H 1 4.6580 0.025 A 446 ASP HBy H 1 2.6460 0.025 A 446 ASP HBx H 1 2.4680 0.025 A 446 ASP C C 13 176.0480 0.400 A 446 ASP CA C 13 52.9000 0.400 A 446 ASP CB C 13 41.3650 0.400 A 446 ASP N N 15 126.5900 0.400 A 447 GLY H H 1 8.0470 0.025 A 447 GLY HAx H 1 3.7460 0.025 A 447 GLY HAy H 1 3.8400 0.025 A 447 GLY C C 13 174.2200 0.400 A 447 GLY CA C 13 45.8320 0.400 A 447 GLY N N 15 111.2120 0.400 A 448 GLY H H 1 8.3800 0.025 A 448 GLY HAx H 1 3.6500 0.025 A 448 GLY HAy H 1 3.9500 0.025 A 448 GLY C C 13 174.0950 0.400 A 448 GLY CA C 13 45.2670 0.400 A 448 GLY N N 15 108.6550 0.400 A 449 CYS H H 1 7.8310 0.025 A 449 CYS HA H 1 4.0130 0.025 A 449 CYS HBy H 1 2.8420 0.025 A 449 CYS HBx H 1 2.7090 0.025 A 449 CYS C C 13 174.8670 0.400 A 449 CYS CA C 13 59.2600 0.400 A 449 CYS CB C 13 28.1330 0.400 A 449 CYS N N 15 120.5670 0.400 A 450 MET H H 1 8.9200 0.025 A 450 MET HA H 1 4.5510 0.025 A 450 MET HBy H 1 3.0560 0.025 A 450 MET HBx H 1 2.7210 0.025 A 450 MET HE% H 1 1.9600 0.025 A 450 MET HGy H 1 2.8540 0.025 A 450 MET HGx H 1 2.7190 0.025 A 450 MET C C 13 174.7430 0.400 A 450 MET CA C 13 54.9700 0.400 A 450 MET CB C 13 34.1600 0.400 A 450 MET CE C 13 18.4300 0.400 A 450 MET CG C 13 33.8160 0.400 A 450 MET N N 15 124.0500 0.400 A 451 HIS H H 1 7.5750 0.025 A 451 HIS HA H 1 3.6790 0.025 A 451 HIS HBy H 1 2.6090 0.025 A 451 HIS HBx H 1 1.0840 0.025 A 451 HIS HD2 H 1 5.8090 0.025 A 451 HIS C C 13 172.2240 0.400 A 451 HIS CA C 13 53.8120 0.400 A 451 HIS CB C 13 28.9000 0.400 A 451 HIS CD2 C 13 113.8410 0.400 A 451 HIS N N 15 120.1600 0.400 A 452 MET H H 1 9.1300 0.025 A 452 MET HA H 1 4.3330 0.025 A 452 MET HBy H 1 0.9030 0.025 A 452 MET HBx H 1 0.1110 0.025 A 452 MET HE% H 1 1.6780 0.025 A 452 MET HGy H 1 1.9980 0.025 A 452 MET HGx H 1 0.6560 0.025 A 452 MET C C 13 175.6610 0.400 A 452 MET CA C 13 52.5890 0.400 A 452 MET CB C 13 28.0740 0.400 A 452 MET CE C 13 15.9100 0.400 A 452 MET CG C 13 30.7020 0.400 A 452 MET N N 15 128.4130 0.400 A 453 VAL H H 1 8.0500 0.025 A 453 VAL HA H 1 4.3300 0.025 A 453 VAL HB H 1 1.7590 0.025 A 453 VAL HGx% H 1 0.7300 0.025 A 453 VAL HGy% H 1 0.4060 0.025 A 453 VAL C C 13 175.3770 0.400 A 453 VAL CA C 13 61.4850 0.400 A 453 VAL CB C 13 33.2950 0.400 A 453 VAL CGy C 13 20.6180 0.400 A 453 VAL CGx C 13 20.2160 0.400 A 453 VAL N N 15 121.7840 0.400 A 454 CYS H H 1 9.0000 0.025 A 454 CYS HA H 1 4.6040 0.025 A 454 CYS HBy H 1 3.5000 0.025 A 454 CYS HBx H 1 3.3430 0.025 A 454 CYS C C 13 177.7660 0.400 A 454 CYS CA C 13 61.6230 0.400 A 454 CYS CB C 13 31.8260 0.400 A 454 CYS N N 15 130.3330 0.400 A 455 THR H H 1 8.5020 0.025 A 455 THR HA H 1 4.3990 0.025 A 455 THR HB H 1 4.6250 0.025 A 455 THR HG2% H 1 1.3340 0.025 A 455 THR C C 13 175.2400 0.400 A 455 THR CA C 13 61.5880 0.400 A 455 THR CB C 13 69.3200 0.400 A 455 THR CG2 C 13 21.9240 0.400 A 455 THR N N 15 118.6780 0.400 A 456 ARG H H 1 9.0600 0.025 A 456 ARG HA H 1 4.2320 0.025 A 456 ARG HBy H 1 2.1460 0.025 A 456 ARG HBx H 1 1.8400 0.025 A 456 ARG HDx H 1 3.3090 0.025 A 456 ARG HGx H 1 1.7790 0.025 A 456 ARG C C 13 177.7630 0.400 A 456 ARG CA C 13 57.2150 0.400 A 456 ARG CB C 13 29.9600 0.400 A 456 ARG CD C 13 43.1420 0.400 A 456 ARG CG C 13 27.1280 0.400 A 456 ARG N N 15 128.7090 0.400 A 457 ALA H H 1 9.0400 0.025 A 457 ALA HA H 1 4.1530 0.025 A 457 ALA HB% H 1 1.4150 0.025 A 457 ALA CA C 13 53.8080 0.400 A 457 ALA CB C 13 17.6420 0.400 A 457 ALA N N 15 133.1230 0.400 A 458 GLY H H 1 8.8300 0.025 A 458 GLY HAy H 1 3.6620 0.025 A 458 GLY CA C 13 45.0840 0.400 A 458 GLY N N 15 111.2000 0.400 A 459 CYS H H 1 8.0500 0.025 A 459 CYS HA H 1 4.6360 0.025 A 459 CYS HBy H 1 3.1840 0.025 A 459 CYS HBx H 1 2.5020 0.025 A 459 CYS C C 13 173.5380 0.400 A 459 CYS CA C 13 60.4900 0.400 A 459 CYS CB C 13 30.0020 0.400 A 459 CYS N N 15 122.9700 0.400 A 460 GLY H H 1 7.6700 0.025 A 460 GLY HAy H 1 4.2600 0.025 A 460 GLY HAx H 1 4.0800 0.025 A 460 GLY C C 13 173.7420 0.400 A 460 GLY CA C 13 46.2000 0.400 A 460 GLY N N 15 104.3380 0.400 A 461 PHE H H 1 8.9100 0.025 A 461 PHE HA H 1 4.5900 0.025 A 461 PHE HBy H 1 3.3690 0.025 A 461 PHE HBx H 1 3.0620 0.025 A 461 PHE HDx H 1 7.3590 0.025 A 461 PHE HEx H 1 7.1720 0.025 A 461 PHE HZ H 1 7.3240 0.025 A 461 PHE C C 13 174.4380 0.400 A 461 PHE CA C 13 60.0870 0.400 A 461 PHE CB C 13 41.3330 0.400 A 461 PHE CD1 C 13 132.1300 0.400 A 461 PHE CE1 C 13 131.2200 0.400 A 461 PHE CZ C 13 128.9200 0.400 A 461 PHE N N 15 124.8420 0.400 A 462 GLU H H 1 7.8400 0.025 A 462 GLU HA H 1 5.7250 0.025 A 462 GLU HBy H 1 2.1790 0.025 A 462 GLU HBx H 1 1.8930 0.025 A 462 GLU HGy H 1 2.6220 0.025 A 462 GLU HGx H 1 2.2670 0.025 A 462 GLU C C 13 176.0330 0.400 A 462 GLU CA C 13 54.5780 0.400 A 462 GLU CB C 13 31.3880 0.400 A 462 GLU CG C 13 37.0630 0.400 A 462 GLU N N 15 125.2450 0.400 A 463 TRP H H 1 9.2350 0.025 A 463 TRP HA H 1 5.5050 0.025 A 463 TRP HBy H 1 3.0990 0.025 A 463 TRP HBx H 1 3.0570 0.025 A 463 TRP HD1 H 1 7.2250 0.025 A 463 TRP HE1 H 1 10.0050 0.025 A 463 TRP HE3 H 1 7.5320 0.025 A 463 TRP HH2 H 1 7.0270 0.025 A 463 TRP HZ2 H 1 7.4960 0.025 A 463 TRP HZ3 H 1 6.7960 0.025 A 463 TRP C C 13 172.9360 0.400 A 463 TRP CA C 13 53.7710 0.400 A 463 TRP CB C 13 31.6950 0.400 A 463 TRP CD1 C 13 128.6600 0.400 A 463 TRP CE3 C 13 121.0500 0.400 A 463 TRP CH2 C 13 125.2500 0.400 A 463 TRP CZ2 C 13 113.4200 0.400 A 463 TRP CZ3 C 13 120.9500 0.400 A 463 TRP N N 15 121.3020 0.400 A 463 TRP NE1 N 15 131.4910 0.400 A 464 CYS H H 1 8.7150 0.025 A 464 CYS HA H 1 5.4150 0.025 A 464 CYS HBy H 1 3.5250 0.025 A 464 CYS HBx H 1 3.1750 0.025 A 464 CYS C C 13 177.2410 0.400 A 464 CYS CA C 13 58.0910 0.400 A 464 CYS CB C 13 32.6930 0.400 A 464 CYS N N 15 120.8920 0.400 A 465 TRP H H 1 9.7980 0.025 A 465 TRP HA H 1 4.4400 0.025 A 465 TRP HBy H 1 3.4530 0.025 A 465 TRP HBx H 1 3.4010 0.025 A 465 TRP HD1 H 1 6.9840 0.025 A 465 TRP HE1 H 1 10.2460 0.025 A 465 TRP HE3 H 1 7.2560 0.025 A 465 TRP HH2 H 1 7.3810 0.025 A 465 TRP HZ2 H 1 7.5020 0.025 A 465 TRP HZ3 H 1 7.1050 0.025 A 465 TRP C C 13 176.0270 0.400 A 465 TRP CA C 13 60.7460 0.400 A 465 TRP CB C 13 31.2300 0.400 A 465 TRP CD1 C 13 126.1800 0.400 A 465 TRP CE3 C 13 122.4500 0.400 A 465 TRP CH2 C 13 126.2400 0.400 A 465 TRP CZ2 C 13 114.3800 0.400 A 465 TRP CZ3 C 13 122.1830 0.400 A 465 TRP N N 15 131.1630 0.400 A 465 TRP NE1 N 15 128.3400 0.400 A 466 VAL H H 1 8.6300 0.025 A 466 VAL HA H 1 3.6340 0.025 A 466 VAL HB H 1 1.5670 0.025 A 466 VAL HGx% H 1 1.0470 0.025 A 466 VAL HGy% H 1 0.6950 0.025 A 466 VAL CA C 13 65.6200 0.400 A 466 VAL CB C 13 33.3600 0.400 A 466 VAL CGy C 13 22.7440 0.400 A 466 VAL CGx C 13 21.1170 0.400 A 466 VAL N N 15 118.1980 0.400 A 467 CYS H H 1 7.8200 0.025 A 467 CYS HA H 1 3.4780 0.025 A 467 CYS HBy H 1 3.1000 0.025 A 467 CYS HBx H 1 2.9400 0.025 A 467 CYS CA C 13 57.1340 0.400 A 467 CYS CB C 13 31.6580 0.400 A 468 GLN HA H 1 4.0360 0.025 A 468 GLN HBx H 1 2.3210 0.025 A 468 GLN HE2x H 1 6.7820 0.025 A 468 GLN HE2y H 1 7.6050 0.025 A 468 GLN HGy H 1 2.2120 0.025 A 468 GLN HGx H 1 2.0520 0.025 A 468 GLN CA C 13 58.0510 0.400 A 468 GLN CB C 13 26.4760 0.400 A 468 GLN CG C 13 36.1530 0.400 A 468 GLN NE2 N 15 111.7290 0.400 A 469 THR H H 1 7.0800 0.025 A 469 THR HA H 1 4.7120 0.025 A 469 THR HB H 1 4.4720 0.025 A 469 THR HG2% H 1 1.2190 0.025 A 469 THR C C 13 173.2450 0.400 A 469 THR CA C 13 59.1300 0.400 A 469 THR CB C 13 71.6550 0.400 A 469 THR CG2 C 13 21.1150 0.400 A 470 GLU H H 1 8.9020 0.025 A 470 GLU HA H 1 4.2960 0.025 A 470 GLU HBy H 1 2.2390 0.025 A 470 GLU HBx H 1 2.0730 0.025 A 470 GLU HGy H 1 2.4000 0.025 A 470 GLU HGx H 1 2.3400 0.025 A 470 GLU C C 13 175.6030 0.400 A 470 GLU CA C 13 57.1140 0.400 A 470 GLU CB C 13 29.9400 0.400 A 470 GLU CG C 13 35.6700 0.400 A 470 GLU N N 15 120.9500 0.400 A 471 TRP H H 1 8.3500 0.025 A 471 TRP HA H 1 4.3000 0.025 A 471 TRP HBy H 1 2.7780 0.025 A 471 TRP HBx H 1 2.6430 0.025 A 471 TRP HD1 H 1 7.1900 0.025 A 471 TRP HE1 H 1 10.2460 0.025 A 471 TRP HE3 H 1 7.7340 0.025 A 471 TRP HH2 H 1 7.2400 0.025 A 471 TRP HZ2 H 1 7.5430 0.025 A 471 TRP HZ3 H 1 7.2720 0.025 A 471 TRP CA C 13 58.2600 0.400 A 471 TRP CB C 13 29.4820 0.400 A 471 TRP CD1 C 13 121.8500 0.400 A 471 TRP CE3 C 13 121.3100 0.400 A 471 TRP CH2 C 13 125.6760 0.400 A 471 TRP CZ2 C 13 114.2300 0.400 A 471 TRP CZ3 C 13 124.7200 0.400 A 471 TRP N N 15 127.1270 0.400 A 471 TRP NE1 N 15 128.3480 0.400 A 472 THR H H 1 8.0690 0.025 A 472 THR HA H 1 4.4250 0.025 A 472 THR HG2% H 1 1.1600 0.025 A 472 THR CA C 13 58.9300 0.400 A 472 THR CG2 C 13 21.2100 0.400 A 472 THR N N 15 117.4800 0.400 A 473 ARG HA H 1 3.7920 0.025 A 473 ARG HBx H 1 1.7860 0.025 A 473 ARG HDx H 1 3.1810 0.025 A 473 ARG HGx H 1 1.6200 0.025 A 473 ARG C C 13 177.9910 0.400 A 473 ARG CA C 13 58.1000 0.400 A 473 ARG CB C 13 29.4600 0.400 A 473 ARG CD C 13 43.1510 0.400 A 473 ARG CG C 13 27.2400 0.400 A 474 ASP H H 1 7.7400 0.025 A 474 ASP HA H 1 4.2280 0.025 A 474 ASP HBy H 1 2.5360 0.025 A 474 ASP HBx H 1 2.4270 0.025 A 474 ASP C C 13 178.1620 0.400 A 474 ASP CA C 13 57.0680 0.400 A 474 ASP CB C 13 40.3660 0.400 A 474 ASP N N 15 119.7390 0.400 A 475 CYS H H 1 6.9710 0.025 A 475 CYS HA H 1 3.4050 0.025 A 475 CYS HBy H 1 2.7090 0.025 A 475 CYS HBx H 1 1.4610 0.025 A 475 CYS CA C 13 64.6100 0.400 A 475 CYS CB C 13 29.0920 0.400 A 475 CYS N N 15 120.9280 0.400 A 476 MET HA H 1 4.0140 0.025 A 476 MET HBy H 1 2.1100 0.025 A 476 MET HBx H 1 1.8730 0.025 A 476 MET HE% H 1 1.9300 0.025 A 476 MET HGx H 1 2.2100 0.025 A 476 MET CA C 13 58.0100 0.400 A 476 MET CB C 13 32.5500 0.400 A 476 MET CE C 13 16.9700 0.400 A 476 MET CG C 13 36.1800 0.400 A 477 GLY H H 1 9.1550 0.025 A 477 GLY HAy H 1 4.0300 0.025 A 477 GLY HAx H 1 3.7400 0.025 A 477 GLY C C 13 174.4180 0.400 A 477 GLY CA C 13 45.6060 0.400 A 477 GLY N N 15 111.9380 0.400 A 478 ALA H H 1 7.3460 0.025 A 478 ALA HA H 1 4.2900 0.025 A 478 ALA HB% H 1 0.9840 0.025 A 478 ALA C C 13 178.2150 0.400 A 478 ALA CA C 13 53.4600 0.400 A 478 ALA CB C 13 20.3900 0.400 A 478 ALA N N 15 121.6920 0.400 A 479 HIS H H 1 8.3010 0.025 A 479 HIS HA H 1 4.9000 0.025 A 479 HIS HBy H 1 3.3030 0.025 A 479 HIS HBx H 1 3.2180 0.025 A 479 HIS HD1 H 1 9.6200 0.025 A 479 HIS HD2 H 1 7.1800 0.025 A 479 HIS HE1 H 1 7.7100 0.025 A 479 HIS C C 13 173.5120 0.400 A 479 HIS CA C 13 54.4800 0.400 A 479 HIS CB C 13 27.7330 0.400 A 479 HIS CD2 C 13 125.9800 0.400 A 479 HIS CE1 C 13 138.6000 0.400 A 479 HIS N N 15 114.9620 0.400 A 480 TRP H H 1 8.0980 0.025 A 480 TRP HA H 1 4.3010 0.025 A 480 TRP HBy H 1 2.7810 0.025 A 480 TRP HBx H 1 2.6470 0.025 A 480 TRP HD1 H 1 6.6320 0.025 A 480 TRP HE1 H 1 9.4330 0.025 A 480 TRP HE3 H 1 7.2590 0.025 A 480 TRP HH2 H 1 7.1160 0.025 A 480 TRP HZ2 H 1 6.9730 0.025 A 480 TRP HZ3 H 1 7.4130 0.025 A 480 TRP CA C 13 58.2600 0.400 A 480 TRP CB C 13 29.5500 0.400 A 480 TRP CD1 C 13 126.4700 0.400 A 480 TRP CE3 C 13 119.5700 0.400 A 480 TRP CH2 C 13 123.7700 0.400 A 480 TRP CZ2 C 13 113.7000 0.400 A 480 TRP CZ3 C 13 122.7400 0.400 A 480 TRP N N 15 121.7990 0.400 A 480 TRP NE1 N 15 128.8290 0.400 A 481 PHE HA H 1 4.8320 0.025 A 481 PHE HBy H 1 3.0610 0.025 A 481 PHE HBx H 1 2.8050 0.025 A 481 PHE HDx H 1 7.0220 0.025 A 481 PHE HEx H 1 6.9000 0.025 A 481 PHE C C 13 175.0660 0.400 A 481 PHE CA C 13 56.6000 0.400 A 481 PHE CB C 13 41.0060 0.400 A 481 PHE CD1 C 13 131.6800 0.400 A 481 PHE CE1 C 13 130.9300 0.400 A 482 GLY H H 1 7.6700 0.025 A 482 GLY HAy H 1 3.7000 0.025 A 482 GLY HAx H 1 3.6500 0.025 A 482 GLY CA C 13 46.5200 0.400 A 482 GLY N N 15 115.0550 0.400 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 433 THR H A 433 THR HB 1.0 0.0 3.94 2 2 A 433 THR H A 433 THR HG2% 1.0 0.0 3.60 3 3 A 478 ALA HB% A 479 HIS H 1.0 0.0 4.17 4 4 A 482 GLY H A 481 PHE HBy 1.0 0.0 5.42 5 5 A 438 LYS H A 440 ARG H 1.0 0.0 3.47 6 6 A 440 ARG H A 440 ARG HA 1.0 0.0 2.91 7 7 A 440 ARG H A 436 CYS HBx 1.0 0.0 3.28 8 7 A 440 ARG H A 436 CYS HBy 1.0 0.0 3.28 9 8 A 440 ARG H A 438 LYS HBy 1.0 0.0 4.31 10 9 A 440 ARG H A 441 THR HG2% 1.0 0.0 4.55 11 10 A 466 VAL H A 479 HIS HD1 1.0 0.0 3.60 12 11 A 466 VAL H A 465 TRP H 1.0 0.0 3.74 13 12 A 466 VAL H A 465 TRP HBx 1.0 0.0 3.65 14 13 A 466 VAL H A 466 VAL HB 1.0 0.0 3.16 15 14 A 466 VAL H A 466 VAL HGx% 1.0 0.0 3.93 16 15 A 466 VAL H A 450 MET HGy 1.0 0.0 4.34 17 16 A 466 VAL H A 466 VAL HGy% 1.0 0.0 3.93 18 17 A 466 VAL H A 464 CYS HA 1.0 0.0 5.38 19 18 A 438 LYS H A 438 LYS HBx 1.0 0.0 3.91 20 19 A 438 LYS H A 438 LYS HBy 1.0 0.0 3.11 21 20 A 439 CYS H A 436 CYS HBx 1.0 0.0 3.59 22 20 A 436 CYS HBy A 439 CYS H 1.0 0.0 3.59 23 21 A 438 LYS H A 461 PHE HD% 1.0 0.0 5.16 24 22 A 440 ARG H A 439 CYS H 1.0 0.0 3.28 25 23 A 455 THR H A 454 CYS HBy 1.0 0.0 4.54 26 24 A 455 THR H A 454 CYS HBx 1.0 0.0 4.54 27 25 A 455 THR H A 455 THR HG2% 1.0 0.0 3.33 28 26 A 455 THR H A 443 THR HG2% 1.0 0.0 4.47 29 27 A 455 THR H A 456 ARG HBy 1.0 0.0 5.11 30 28 A 438 LYS H A 437 PRO HDx 1.0 0.0 4.76 31 29 A 438 LYS H A 437 PRO HDy 1.0 0.0 4.23 32 30 A 427 VAL H A 427 VAL HB 1.0 0.0 4.17 33 31 A 427 VAL H A 427 VAL HG11 1.0 0.0 4.00 34 31 A 427 VAL H A 427 VAL HGy% 1.0 0.0 4.00 35 32 A 474 ASP H A 473 ARG HBx 1.0 0.0 4.14 36 32 A 473 ARG HBy A 474 ASP H 1.0 0.0 4.14 37 33 A 474 ASP H A 472 THR HG2% 1.0 0.0 4.68 38 34 A 451 HIS H A 451 HIS HBy 1.0 0.0 3.24 39 35 A 451 HIS H A 452 MET H 1.0 0.0 4.38 40 36 A 451 HIS H A 451 HIS HBx 1.0 0.0 3.24 41 37 A 451 HIS H A 449 CYS HA 1.0 0.0 4.64 42 38 A 451 HIS H A 465 TRP HE3 1.0 0.0 4.97 43 39 A 449 CYS H A 449 CYS HBy 1.0 0.0 3.75 44 40 A 449 CYS H A 449 CYS HBx 1.0 0.0 3.75 45 41 A 475 CYS H A 475 CYS HBx 1.0 0.0 3.88 46 42 A 463 TRP HA A 464 CYS H 1.0 0.0 3.45 47 43 A 464 CYS H A 471 TRP H 1.0 0.0 4.88 48 44 A 469 THR HA A 470 GLU H 1.0 0.0 3.36 49 45 A 470 GLU H A 469 THR HB 1.0 0.0 3.85 50 46 A 464 CYS H A 463 TRP HBy 1.0 0.0 3.39 51 47 A 464 CYS H A 470 GLU HA 1.0 0.0 4.68 52 48 A 464 CYS H A 471 TRP HA 1.0 0.0 4.93 53 49 A 470 GLU H A 470 GLU HBx 1.0 0.0 3.73 54 50 A 470 GLU H A 469 THR HG2% 1.0 0.0 3.81 55 51 A 475 CYS H A 475 CYS HBy 1.0 0.0 3.88 56 52 A 475 CYS H A 473 ARG HA 1.0 0.0 4.67 57 53 A 474 ASP H A 475 CYS H 1.0 0.0 3.90 58 54 A 470 GLU H A 461 PHE HE% 1.0 0.0 4.47 59 55 A 472 THR HG2% A 475 CYS H 1.0 0.0 4.89 60 56 A 453 VAL HA A 463 TRP H 1.0 0.0 4.21 61 57 A 463 TRP H A 462 GLU HBy 1.0 0.0 4.50 62 58 A 463 TRP H A 462 GLU HBx 1.0 0.0 4.50 63 59 A 478 ALA HB% A 478 ALA H 1.0 0.0 3.05 64 60 A 479 HIS H A 478 ALA H 1.0 0.0 3.72 65 61 A 452 MET HA A 453 VAL H 1.0 0.0 2.95 66 62 A 423 GLU H A 423 GLU HGx 1.0 0.0 4.63 67 62 A 423 GLU H A 423 GLU HGy 1.0 0.0 4.63 68 63 A 453 VAL H A 453 VAL HB 1.0 0.0 3.46 69 64 A 453 VAL H A 453 VAL HGx% 1.0 0.0 4.07 70 65 A 453 VAL H A 453 VAL HGy% 1.0 0.0 3.59 71 66 A 478 ALA H A 475 CYS HA 1.0 0.0 5.06 72 67 A 433 THR HA A 434 LYS H 1.0 0.0 2.85 73 68 A 453 VAL H A 452 MET HGx 1.0 0.0 4.63 74 69 A 430 LYS HA A 431 VAL H 1.0 0.0 3.43 75 70 A 431 VAL H A 431 VAL HB 1.0 0.0 4.07 76 71 A 431 VAL H A 431 VAL HGx% 1.0 0.0 3.94 77 71 A 431 VAL H A 431 VAL HG21 1.0 0.0 3.94 78 72 A 441 THR HG2% A 441 THR H 1.0 0.0 3.72 79 73 A 440 ARG HA A 441 THR H 1.0 0.0 3.05 80 74 A 440 ARG H A 441 THR H 1.0 0.0 3.59 81 75 A 434 LYS H A 443 THR HB 1.0 0.0 4.10 82 76 A 433 THR HB A 434 LYS H 1.0 0.0 3.28 83 77 A 434 LYS H A 434 LYS HGy 1.0 0.0 4.48 84 78 A 434 LYS H A 434 LYS HGx 1.0 0.0 4.48 85 79 A 434 LYS H A 435 PRO HDy 1.0 0.0 5.00 86 80 A 433 THR H A 434 LYS H 1.0 0.0 4.75 87 81 A 443 THR HB A 443 THR H 1.0 0.0 3.77 88 82 A 433 THR HB A 443 THR H 1.0 0.0 3.80 89 83 A 443 THR HG2% A 443 THR H 1.0 0.0 3.99 90 84 A 433 THR HG2% A 443 THR H 1.0 0.0 3.92 91 85 A 443 THR H A 436 CYS H 1.0 0.0 4.40 92 86 A 443 THR H A 444 GLU H 1.0 0.0 4.63 93 87 A 434 LYS H A 443 THR H 1.0 0.0 3.39 94 88 A 433 THR HA A 443 THR H 1.0 0.0 5.06 95 89 A 459 CYS H A 460 GLY H 1.0 0.0 3.58 96 90 A 459 CYS H A 457 ALA HA 1.0 0.0 4.28 97 91 A 459 CYS H A 459 CYS HBy 1.0 0.0 3.35 98 92 A 459 CYS H A 459 CYS HBx 1.0 0.0 3.35 99 93 A 459 CYS H A 456 ARG HGx 1.0 0.0 4.71 100 93 A 459 CYS H A 456 ARG HGy 1.0 0.0 4.71 101 94 A 459 CYS H A 457 ALA HB% 1.0 0.0 4.97 102 95 A 445 ARG H A 445 ARG HBx 1.0 0.0 3.90 103 96 A 424 ALA H A 424 ALA HB% 1.0 0.0 3.78 104 97 A 428 THR HA A 429 ILE H 1.0 0.0 3.34 105 98 A 433 THR HA A 445 ARG H 1.0 0.0 4.41 106 99 A 445 ARG H A 452 MET HE% 1.0 0.0 5.50 107 100 A 429 ILE H A 429 ILE HG1x 1.0 0.0 4.95 108 101 A 444 GLU H A 445 ARG H 1.0 0.0 4.62 109 102 A 461 PHE H A 461 PHE HBy 1.0 0.0 2.92 110 103 A 461 PHE H A 461 PHE HBx 1.0 0.0 3.30 111 104 A 429 ILE H A 429 ILE HG1y 1.0 0.0 4.95 112 105 A 460 GLY H A 461 PHE H 1.0 0.0 3.44 113 106 A 461 PHE HD% A 461 PHE H 1.0 0.0 4.49 114 107 A 436 CYS H A 435 PRO HA 1.0 0.0 2.90 115 108 A 436 CYS H A 436 CYS HBx 1.0 0.0 2.87 116 108 A 436 CYS HBy A 436 CYS H 1.0 0.0 2.87 117 109 A 436 CYS H A 435 PRO HBx 1.0 0.0 4.21 118 110 A 436 CYS H A 435 PRO HBy 1.0 0.0 3.86 119 111 A 461 PHE HA A 462 GLU H 1.0 0.0 2.87 120 112 A 461 PHE HD% A 462 GLU H 1.0 0.0 3.55 121 113 A 440 ARG H A 436 CYS H 1.0 0.0 4.30 122 114 A 441 THR H A 436 CYS H 1.0 0.0 3.85 123 115 A 461 PHE H A 462 GLU H 1.0 0.0 4.68 124 116 A 444 GLU H A 443 THR HA 1.0 0.0 2.84 125 117 A 444 GLU H A 444 GLU HBx 1.0 0.0 3.83 126 118 A 443 THR HG2% A 444 GLU H 1.0 0.0 3.33 127 119 A 433 THR HG2% A 444 GLU H 1.0 0.0 4.24 128 120 A 445 ARG HA A 446 ASP H 1.0 0.0 3.50 129 121 A 446 ASP H A 446 ASP HBy 1.0 0.0 4.16 130 122 A 446 ASP H A 446 ASP HBx 1.0 0.0 4.16 131 123 A 452 MET HE% A 446 ASP H 1.0 0.0 5.50 132 124 A 463 TRP HA A 471 TRP H 1.0 0.0 4.07 133 125 A 471 TRP H A 470 GLU HA 1.0 0.0 3.23 134 126 A 471 TRP H A 463 TRP HBx 1.0 0.0 4.59 135 127 A 471 TRP H A 471 TRP HBy 1.0 0.0 3.71 136 128 A 471 TRP H A 471 TRP HBx 1.0 0.0 3.71 137 129 A 471 TRP H A 470 GLU HGx 1.0 0.0 4.77 138 130 A 471 TRP H A 470 GLU HBx 1.0 0.0 4.79 139 131 A 452 MET H A 452 MET HBx 1.0 0.0 4.15 140 132 A 452 MET H A 452 MET HGy 1.0 0.0 4.74 141 133 A 452 MET H A 452 MET HBy 1.0 0.0 4.15 142 134 A 456 ARG HBy A 456 ARG H 1.0 0.0 3.06 143 135 A 456 ARG H A 456 ARG HBx 1.0 0.0 3.14 144 136 A 456 ARG H A 454 CYS HA 1.0 0.0 4.87 145 137 A 452 MET H A 451 HIS HD2 1.0 0.0 4.22 146 138 A 455 THR H A 456 ARG H 1.0 0.0 3.32 147 139 A 455 THR HG2% A 456 ARG H 1.0 0.0 4.40 148 140 A 456 ARG H A 459 CYS HBy 1.0 0.0 4.40 149 141 A 460 GLY H A 456 ARG H 1.0 0.0 4.49 150 142 A 460 GLY H A 459 CYS HBx 1.0 0.0 3.62 151 143 A 453 VAL HA A 454 CYS H 1.0 0.0 2.81 152 144 A 454 CYS H A 454 CYS HBy 1.0 0.0 3.14 153 145 A 453 VAL HGx% A 454 CYS H 1.0 0.0 3.45 154 146 A 453 VAL HGy% A 454 CYS H 1.0 0.0 4.22 155 147 A 454 CYS H A 462 GLU HA 1.0 0.0 4.22 156 148 A 454 CYS H A 463 TRP HE1 1.0 0.0 4.39 157 149 A 453 VAL H A 454 CYS H 1.0 0.0 4.37 158 150 A 465 TRP H A 480 TRP HE3 1.0 0.0 4.85 159 151 A 465 TRP H A 464 CYS HA 1.0 0.0 3.16 160 152 A 465 TRP H A 465 TRP HBx 1.0 0.0 3.08 161 153 A 465 TRP H A 450 MET HGy 1.0 0.0 4.72 162 154 A 463 TRP HE1 A 436 CYS HA 1.0 0.0 3.90 163 155 A 463 TRP HE1 A 436 CYS HBx 1.0 0.0 4.48 164 155 A 436 CYS HBy A 463 TRP HE1 1.0 0.0 4.48 165 156 A 454 CYS H A 454 CYS HBx 1.0 0.0 3.14 166 157 A 438 LYS HBy A 439 CYS H 1.0 0.0 3.24 167 158 A 434 LYS H A 463 TRP HH2 1.0 0.0 5.01 168 159 A 438 LYS H A 436 CYS H 1.0 0.0 4.83 169 160 A 461 PHE HE% A 462 GLU H 1.0 0.0 4.57 170 161 A 462 GLU H A 463 TRP HD1 1.0 0.0 4.87 171 162 A 440 ARG HA A 436 CYS H 1.0 0.0 3.90 172 163 A 439 CYS H A 441 THR H 1.0 0.0 4.59 173 164 A 441 THR H A 436 CYS HBx 1.0 0.0 3.01 174 164 A 436 CYS HBy A 441 THR H 1.0 0.0 3.01 175 165 A 445 ARG H A 444 GLU HA 1.0 0.0 3.15 176 166 A 445 ARG H A 445 ARG HBy 1.0 0.0 3.90 177 167 A 433 THR HG2% A 445 ARG H 1.0 0.0 3.56 178 168 A 451 HIS H A 450 MET H 1.0 0.0 4.12 179 169 A 452 MET H A 451 HIS HA 1.0 0.0 3.17 180 170 A 456 ARG H A 456 ARG HDx 1.0 0.0 4.81 181 170 A 456 ARG H A 456 ARG HDy 1.0 0.0 4.81 182 171 A 456 ARG H A 459 CYS HBx 1.0 0.0 4.40 183 172 A 459 CYS H A 456 ARG HBx 1.0 0.0 4.10 184 173 A 459 CYS H A 456 ARG HDx 1.0 0.0 4.25 185 173 A 459 CYS H A 456 ARG HDy 1.0 0.0 4.25 186 174 A 465 TRP H A 450 MET HGx 1.0 0.0 4.72 187 175 A 466 VAL H A 450 MET HGx 1.0 0.0 4.34 188 176 A 466 VAL H A 465 TRP HD1 1.0 0.0 4.41 189 177 A 470 GLU H A 461 PHE HZ 1.0 0.0 4.78 190 178 A 471 TRP H A 471 TRP HZ3 1.0 0.0 5.50 191 179 A 455 THR H A 454 CYS H 1.0 0.0 4.78 192 180 A 438 LYS H A 436 CYS HA 1.0 0.0 4.41 193 181 A 441 THR H A 441 THR HB 1.0 0.0 3.81 194 182 A 441 THR HB A 436 CYS HBx 1.0 0.0 4.84 195 182 A 436 CYS HBy A 441 THR HB 1.0 0.0 4.84 196 183 A 466 VAL HA A 466 VAL HGy% 1.0 0.0 3.64 197 184 A 443 THR H A 442 PRO HA 1.0 0.0 2.98 198 185 A 435 PRO HA A 442 PRO HA 1.0 0.0 3.76 199 186 A 433 THR HB A 442 PRO HA 1.0 0.0 3.31 200 187 A 442 PRO HA A 435 PRO HDx 1.0 0.0 5.20 201 188 A 433 THR HA A 443 THR HB 1.0 0.0 5.17 202 189 A 449 CYS HA A 481 PHE HA 1.0 0.0 4.79 203 190 A 463 TRP HH2 A 468 GLN HA 1.0 0.0 5.36 204 191 A 473 ARG HA A 473 ARG HGx 1.0 0.0 3.92 205 191 A 473 ARG HA A 473 ARG HGy 1.0 0.0 3.92 206 192 A 456 ARG HA A 456 ARG HDx 1.0 0.0 4.05 207 192 A 456 ARG HDy A 456 ARG HA 1.0 0.0 4.05 208 193 A 452 MET HGx A 445 ARG HA 1.0 0.0 4.47 209 194 A 437 PRO HDx A 436 CYS HA 1.0 0.0 3.34 210 195 A 452 MET HE% A 445 ARG HA 1.0 0.0 4.09 211 196 A 436 CYS HA A 437 PRO HGx 1.0 0.0 4.71 212 197 A 463 TRP H A 462 GLU HA 1.0 0.0 3.27 213 198 A 453 VAL HA A 462 GLU HA 1.0 0.0 3.47 214 199 A 463 TRP HA A 470 GLU HA 1.0 0.0 3.59 215 200 A 462 GLU HA A 462 GLU HGx 1.0 0.0 4.02 216 201 A 441 THR HA A 442 PRO HDx 1.0 0.0 3.14 217 202 A 461 PHE HD% A 437 PRO HDy 1.0 0.0 3.83 218 203 A 437 PRO HDy A 463 TRP HD1 1.0 0.0 4.19 219 204 A 435 PRO HDx A 434 LYS HA 1.0 0.0 3.13 220 205 A 435 PRO HDy A 434 LYS HA 1.0 0.0 3.46 221 206 A 437 PRO HDy A 436 CYS HA 1.0 0.0 3.64 222 207 A 437 PRO HDy A 436 CYS HBx 1.0 0.0 4.44 223 207 A 436 CYS HBy A 437 PRO HDy 1.0 0.0 4.44 224 208 A 437 PRO HDx A 436 CYS HBx 1.0 0.0 4.21 225 208 A 436 CYS HBy A 437 PRO HDx 1.0 0.0 4.21 226 209 A 456 ARG HBx A 456 ARG HDx 1.0 0.0 4.06 227 209 A 456 ARG HBx A 456 ARG HDy 1.0 0.0 4.06 228 210 A 440 ARG HA A 440 ARG HDx 1.0 0.0 4.46 229 211 A 473 ARG HBx A 473 ARG HDx 1.0 0.0 3.62 230 211 A 473 ARG HBy A 473 ARG HDx 1.0 0.0 3.62 231 211 A 473 ARG HDy A 473 ARG HBx 1.0 0.0 3.62 232 211 A 473 ARG HBy A 473 ARG HDy 1.0 0.0 3.62 233 212 A 431 VAL HG21 A 434 LYS HEy 1.0 0.0 3.94 234 212 A 431 VAL HGx% A 434 LYS HEy 1.0 0.0 3.94 235 213 A 438 LYS HEx A 438 LYS HGy 1.0 0.0 4.07 236 213 A 438 LYS HEy A 438 LYS HGy 1.0 0.0 4.07 237 214 A 438 LYS HBy A 461 PHE HBy 1.0 0.0 5.50 238 215 A 428 THR H A 429 ILE HB 1.0 0.0 5.50 239 216 A 429 ILE HB A 428 THR HG2% 1.0 0.0 4.82 240 217 A 452 MET HE% A 434 LYS HBy 1.0 0.0 4.42 241 218 A 470 GLU HA A 470 GLU HGx 1.0 0.0 4.16 242 219 A 438 LYS HBx A 439 CYS H 1.0 0.0 4.08 243 220 A 438 LYS HBy A 437 PRO HGy 1.0 0.0 4.21 244 221 A 443 THR HG2% A 453 VAL HB 1.0 0.0 4.52 245 222 A 465 TRP H A 465 TRP HBy 1.0 0.0 3.85 246 223 A 444 GLU H A 444 GLU HBy 1.0 0.0 3.83 247 224 A 438 LYS H A 436 CYS HBx 1.0 0.0 3.95 248 224 A 438 LYS H A 436 CYS HBy 1.0 0.0 3.95 249 225 A 445 ARG H A 444 GLU HBy 1.0 0.0 4.81 250 226 A 445 ARG H A 444 GLU HBx 1.0 0.0 4.81 251 227 A 462 GLU H A 463 TRP HBx 1.0 0.0 5.50 252 228 A 461 PHE HD% A 463 TRP HBx 1.0 0.0 5.21 253 229 A 463 TRP HBx A 461 PHE HZ 1.0 0.0 5.45 254 230 A 461 PHE HE% A 437 PRO HBy 1.0 0.0 4.13 255 231 A 465 TRP HBx A 450 MET HA 1.0 0.0 4.47 256 232 A 435 PRO HA A 436 CYS HBx 1.0 0.0 5.20 257 232 A 436 CYS HBy A 435 PRO HA 1.0 0.0 5.20 258 233 A 463 TRP HBy A 470 GLU HA 1.0 0.0 5.37 259 234 A 441 THR HA A 442 PRO HBx 1.0 0.0 5.14 260 235 A 440 ARG HA A 435 PRO HBx 1.0 0.0 3.88 261 236 A 440 ARG HA A 435 PRO HBy 1.0 0.0 3.45 262 237 A 433 THR HG2% A 442 PRO HBx 1.0 0.0 3.80 263 238 A 452 MET H A 452 MET HGx 1.0 0.0 4.23 264 239 A 470 GLU H A 470 GLU HBy 1.0 0.0 3.73 265 240 A 452 MET HGx A 465 TRP HBy 1.0 0.0 5.38 266 241 A 456 ARG HDy A 459 CYS HBx 1.0 0.0 3.95 267 241 A 456 ARG HDx A 459 CYS HBx 1.0 0.0 3.95 268 242 A 423 GLU HGy A 423 GLU HBx 1.0 0.0 2.68 269 242 A 423 GLU HBx A 423 GLU HGx 1.0 0.0 2.68 270 243 A 453 VAL HB A 452 MET HGy 1.0 0.0 5.50 271 244 A 419 ALA HB% A 420 ARG HBy 1.0 0.0 4.31 272 245 A 419 ALA HB% A 420 ARG HBx 1.0 0.0 4.31 273 246 A 441 THR HB A 442 PRO HGy 1.0 0.0 4.67 274 247 A 441 THR HB A 442 PRO HGx 1.0 0.0 4.67 275 248 A 430 LYS HDx A 430 LYS HGy 1.0 0.0 2.81 276 248 A 430 LYS HDy A 430 LYS HGy 1.0 0.0 2.81 277 249 A 433 THR HG2% A 442 PRO HGy 1.0 0.0 4.83 278 250 A 433 THR HG2% A 442 PRO HGx 1.0 0.0 4.83 279 251 A 461 PHE HE% A 437 PRO HGx 1.0 0.0 4.50 280 252 A 456 ARG HA A 456 ARG HGx 1.0 0.0 4.03 281 252 A 456 ARG HGy A 456 ARG HA 1.0 0.0 4.03 282 253 A 461 PHE HBx A 437 PRO HGy 1.0 0.0 5.50 283 254 A 463 TRP HBx A 437 PRO HGy 1.0 0.0 5.50 284 255 A 473 ARG HBx A 473 ARG HGx 1.0 0.0 2.52 285 255 A 473 ARG HBy A 473 ARG HGx 1.0 0.0 2.52 286 255 A 473 ARG HGy A 473 ARG HBx 1.0 0.0 2.52 287 255 A 473 ARG HBy A 473 ARG HGy 1.0 0.0 2.52 288 256 A 438 LYS HGx A 438 LYS HEx 1.0 0.0 4.07 289 256 A 438 LYS HEy A 438 LYS HGx 1.0 0.0 4.07 290 257 A 430 LYS HGx A 430 LYS HDx 1.0 0.0 2.81 291 257 A 430 LYS HDy A 430 LYS HGx 1.0 0.0 2.81 292 258 A 466 VAL HA A 466 VAL HGx% 1.0 0.0 3.64 293 259 A 433 THR HG2% A 434 LYS H 1.0 0.0 4.03 294 260 A 433 THR HG2% A 433 THR HA 1.0 0.0 3.39 295 261 A 433 THR HG2% A 444 GLU HA 1.0 0.0 3.88 296 262 A 443 THR HG2% A 443 THR HA 1.0 0.0 3.35 297 263 A 469 THR HA A 469 THR HG2% 1.0 0.0 3.48 298 264 A 433 THR HG2% A 443 THR HA 1.0 0.0 3.99 299 265 A 455 THR HG2% A 455 THR HA 1.0 0.0 3.04 300 266 A 441 THR HG2% A 441 THR HA 1.0 0.0 3.43 301 267 A 441 THR HG2% A 442 PRO HDy 1.0 0.0 3.62 302 268 A 433 THR HG2% A 442 PRO HA 1.0 0.0 3.77 303 269 A 453 VAL HA A 453 VAL HGx% 1.0 0.0 3.25 304 270 A 441 THR HG2% A 442 PRO HDx 1.0 0.0 3.62 305 271 A 441 THR HG2% A 456 ARG HDx 1.0 0.0 4.04 306 271 A 441 THR HG2% A 456 ARG HDy 1.0 0.0 4.04 307 272 A 441 THR HG2% A 436 CYS HBx 1.0 0.0 4.28 308 272 A 436 CYS HBy A 441 THR HG2% 1.0 0.0 4.28 309 273 A 453 VAL HGx% A 462 GLU HGy 1.0 0.0 4.22 310 274 A 434 LYS HEx A 431 VAL HGx% 1.0 0.0 3.94 311 274 A 431 VAL HG21 A 434 LYS HEx 1.0 0.0 3.94 312 275 A 453 VAL HGx% A 462 GLU HGx 1.0 0.0 4.22 313 276 A 455 THR HG2% A 453 VAL HB 1.0 0.0 4.71 314 277 A 441 THR HG2% A 456 ARG HBy 1.0 0.0 3.65 315 278 A 441 THR HG2% A 456 ARG HGx 1.0 0.0 3.55 316 278 A 441 THR HG2% A 456 ARG HGy 1.0 0.0 3.55 317 279 A 433 THR HG2% A 442 PRO HBy 1.0 0.0 3.46 318 280 A 431 VAL HG21 A 430 LYS HGx 1.0 0.0 4.54 319 280 A 430 LYS HGx A 431 VAL HGx% 1.0 0.0 4.54 320 281 A 443 THR HG2% A 453 VAL HGx% 1.0 0.0 4.69 321 282 A 419 ALA HB% A 420 ARG H 1.0 0.0 5.30 322 283 A 453 VAL HA A 453 VAL HGy% 1.0 0.0 3.35 323 284 A 478 ALA HB% A 475 CYS HA 1.0 0.0 3.94 324 285 A 453 VAL HGy% A 452 MET HGx 1.0 0.0 5.50 325 286 A 443 THR HG2% A 453 VAL HGy% 1.0 0.0 4.75 326 287 A 457 ALA HB% A 457 ALA H 1.0 0.0 3.95 327 288 A 465 TRP HD1 A 450 MET HE% 1.0 0.0 4.27 328 289 A 450 MET HA A 450 MET HE% 1.0 0.0 4.84 329 290 A 428 THR HA A 429 ILE HG2% 1.0 0.0 4.88 330 291 A 429 ILE HG2% A 429 ILE HA 1.0 0.0 3.37 331 292 A 465 TRP HBy A 450 MET HE% 1.0 0.0 5.16 332 293 A 429 ILE HG2% A 429 ILE HG1y 1.0 0.0 3.99 333 294 A 452 MET HE% A 465 TRP HZ2 1.0 0.0 4.46 334 295 A 465 TRP HE3 A 452 MET HE% 1.0 0.0 3.57 335 296 A 452 MET HE% A 465 TRP HZ3 1.0 0.0 3.72 336 297 A 443 THR HB A 452 MET HE% 1.0 0.0 4.69 337 298 A 452 MET HE% A 465 TRP HBy 1.0 0.0 4.54 338 299 A 433 THR HB A 442 PRO HBx 1.0 0.0 4.08 339 300 A 452 MET HGx A 452 MET HE% 1.0 0.0 3.68 340 301 A 452 MET HE% A 434 LYS HBx 1.0 0.0 4.42 341 302 A 452 MET HE% A 445 ARG HBy 1.0 0.0 3.86 342 303 A 452 MET HE% A 452 MET HBy 1.0 0.0 3.79 343 304 A 452 MET HE% A 452 MET HGy 1.0 0.0 3.50 344 305 A 437 PRO HDx A 463 TRP HD1 1.0 0.0 4.85 345 306 A 461 PHE HD% A 437 PRO HDx 1.0 0.0 4.93 346 307 A 460 GLY H A 459 CYS HBy 1.0 0.0 3.62 347 308 A 471 TRP H A 470 GLU HGy 1.0 0.0 4.77 348 309 A 470 GLU HA A 463 TRP HBx 1.0 0.0 4.27 349 310 A 479 HIS HD1 A 466 VAL HB 1.0 0.0 4.68 350 311 A 482 GLY H A 481 PHE HBx 1.0 0.0 5.42 351 312 A 463 TRP HA A 463 TRP HD1 1.0 0.0 4.68 352 313 A 465 TRP HE3 A 451 HIS HA 1.0 0.0 5.04 353 314 A 477 GLY H A 476 MET HGx 1.0 0.0 4.87 354 314 A 476 MET HGy A 477 GLY H 1.0 0.0 4.87 355 315 A 473 ARG HA A 476 MET HE% 1.0 0.0 4.72 356 316 A 471 TRP H A 470 GLU HBy 1.0 0.0 4.79 357 317 A 450 MET HE% A 479 HIS HE1 1.0 0.0 5.50 358 318 A 482 GLY H A 450 MET HE% 1.0 0.0 5.50 359 319 A 479 HIS HE1 A 466 VAL HGy% 1.0 0.0 4.13 360 320 A 481 PHE HA A 481 PHE HD% 1.0 0.0 4.22 361 321 A 461 PHE HD% A 461 PHE HA 1.0 0.0 3.36 362 322 A 449 CYS HA A 481 PHE HD% 1.0 0.0 4.72 363 323 A 461 PHE HE% A 463 TRP HBx 1.0 0.0 3.90 364 324 A 461 PHE HE% A 470 GLU HBy 1.0 0.0 4.40 365 325 A 438 LYS HBy A 461 PHE HD% 1.0 0.0 4.96 366 326 A 461 PHE HD% A 437 PRO HGy 1.0 0.0 4.16 367 327 A 461 PHE HE% A 437 PRO HGy 1.0 0.0 4.00 368 328 A 462 GLU HA A 463 TRP HD1 1.0 0.0 3.89 369 329 A 453 VAL HA A 463 TRP HD1 1.0 0.0 5.50 370 330 A 470 GLU HA A 463 TRP HD1 1.0 0.0 5.50 371 331 A 470 GLU HA A 461 PHE HZ 1.0 0.0 4.14 372 332 A 461 PHE HBy A 463 TRP HD1 1.0 0.0 5.50 373 333 A 463 TRP HBx A 463 TRP HD1 1.0 0.0 3.56 374 334 A 461 PHE HZ A 470 GLU HBy 1.0 0.0 4.00 375 335 A 461 PHE HZ A 470 GLU HBx 1.0 0.0 4.00 376 336 A 421 TRP HA A 421 TRP HD1 1.0 0.0 4.23 377 337 A 475 CYS HA A 479 HIS HD2 1.0 0.0 4.06 378 338 A 465 TRP HD1 A 466 VAL HA 1.0 0.0 4.00 379 339 A 465 TRP HBx A 465 TRP HD1 1.0 0.0 3.44 380 340 A 480 TRP HD1 A 480 TRP HBy 1.0 0.0 3.89 381 341 A 480 TRP HD1 A 480 TRP HBx 1.0 0.0 3.89 382 342 A 465 TRP HD1 A 466 VAL HGx% 1.0 0.0 4.46 383 343 A 465 TRP HD1 A 466 VAL HGy% 1.0 0.0 4.46 384 344 A 443 THR HB A 463 TRP HH2 1.0 0.0 3.97 385 345 A 464 CYS HA A 480 TRP HZ3 1.0 0.0 4.01 386 346 A 465 TRP HE3 A 465 TRP HBy 1.0 0.0 4.04 387 347 A 465 TRP HE3 A 452 MET HGx 1.0 0.0 4.19 388 348 A 463 TRP HE3 A 465 TRP HA 1.0 0.0 4.27 389 349 A 468 GLN HA A 463 TRP HE3 1.0 0.0 3.84 390 350 A 463 TRP HBx A 463 TRP HE3 1.0 0.0 4.09 391 351 A 464 CYS HA A 480 TRP HE3 1.0 0.0 3.32 392 352 A 480 TRP HE3 A 480 TRP HA 1.0 0.0 3.66 393 353 A 480 TRP HE3 A 464 CYS HBy 1.0 0.0 3.88 394 354 A 480 TRP HE3 A 464 CYS HBx 1.0 0.0 3.88 395 355 A 443 THR HB A 463 TRP HZ2 1.0 0.0 3.46 396 356 A 452 MET HA A 451 HIS HD2 1.0 0.0 5.50 397 357 A 453 VAL HA A 451 HIS HD2 1.0 0.0 5.50 398 358 A 436 CYS HA A 463 TRP HZ2 1.0 0.0 3.89 399 359 A 476 MET HA A 480 TRP HZ2 1.0 0.0 3.87 400 360 A 451 HIS HD2 A 451 HIS HA 1.0 0.0 3.75 401 361 A 463 TRP HZ2 A 436 CYS HBx 1.0 0.0 4.11 402 361 A 436 CYS HBy A 463 TRP HZ2 1.0 0.0 4.11 403 362 A 480 TRP HZ2 A 476 MET HBy 1.0 0.0 4.07 404 363 A 443 THR HG2% A 463 TRP HZ2 1.0 0.0 3.09 405 364 A 480 TRP HZ2 A 476 MET HBx 1.0 0.0 4.07 406 365 A 453 VAL HGy% A 451 HIS HD2 1.0 0.0 3.70 407 366 A 452 MET HGy A 465 TRP HZ3 1.0 0.0 4.24 408 367 A 461 PHE HE% A 470 GLU HBx 1.0 0.0 4.40 409 368 A 480 TRP HZ2 A 476 MET HGx 1.0 0.0 4.36 410 368 A 476 MET HGy A 480 TRP HZ2 1.0 0.0 4.36 411 369 A 473 ARG HA A 480 TRP HZ2 1.0 0.0 4.37 412 370 A 479 HIS HE1 A 466 VAL HGx% 1.0 0.0 4.13 413 371 A 433 THR HB A 442 PRO HBy 1.0 0.0 4.40 414 372 A 430 LYS HA A 431 VAL HA 1.0 0.0 4.61 415 373 A 441 THR HA A 442 PRO HDy 1.0 0.0 3.14 416 374 A 443 THR HA A 442 PRO HA 1.0 0.0 4.82 417 375 A 431 VAL HA A 431 VAL HGx% 1.0 0.0 3.27 418 375 A 431 VAL HG21 A 431 VAL HA 1.0 0.0 3.27 419 376 A 427 VAL HA A 427 VAL HG11 1.0 0.0 3.67 420 376 A 427 VAL HGy% A 427 VAL HA 1.0 0.0 3.67 421 377 A 465 TRP HE3 A 465 TRP HA 1.0 0.0 4.54 422 378 A 465 TRP HA A 463 TRP HZ3 1.0 0.0 4.43 423 379 A 433 THR HA A 444 GLU HA 1.0 0.0 3.95 424 380 A 428 THR HA A 429 ILE HA 1.0 0.0 4.57 425 381 A 473 ARG HA A 476 MET HA 1.0 0.0 4.98 426 382 A 472 THR HG2% A 472 THR HA 1.0 0.0 4.22 427 383 A 421 TRP HA A 421 TRP HE3 1.0 0.0 4.58 428 384 A 456 ARG HA A 455 THR HA 1.0 0.0 4.74 429 385 A 443 THR HB A 436 CYS HA 1.0 0.0 5.21 430 386 A 423 GLU HA A 424 ALA HA 1.0 0.0 4.46 431 387 A 440 ARG HA A 436 CYS HBx 1.0 0.0 4.64 432 387 A 440 ARG HA A 436 CYS HBy 1.0 0.0 4.64 433 388 A 423 GLU HA A 423 GLU HGx 1.0 0.0 4.19 434 388 A 423 GLU HGy A 423 GLU HA 1.0 0.0 4.19 435 389 A 470 GLU HA A 470 GLU HGy 1.0 0.0 4.16 436 390 A 463 TRP HA A 462 GLU HA 1.0 0.0 4.75 437 391 A 462 GLU HA A 462 GLU HGy 1.0 0.0 4.02 438 392 A 452 MET HA A 452 MET HE% 1.0 0.0 4.43 439 393 A 440 ARG HA A 440 ARG HDy 1.0 0.0 4.46 440 394 A 456 ARG HDy A 459 CYS HBy 1.0 0.0 3.95 441 394 A 459 CYS HBy A 456 ARG HDx 1.0 0.0 3.95 442 395 A 453 VAL HB A 455 THR HA 1.0 0.0 5.50 443 396 A 463 TRP HBy A 461 PHE HE% 1.0 0.0 5.22 444 397 A 461 PHE HE% A 437 PRO HBx 1.0 0.0 4.68 445 398 A 463 TRP HBy A 468 GLN HA 1.0 0.0 5.50 446 399 A 465 TRP HE3 A 452 MET HGy 1.0 0.0 4.67 447 400 A 423 GLU HGy A 423 GLU HBy 1.0 0.0 2.68 448 400 A 423 GLU HBy A 423 GLU HGx 1.0 0.0 2.68 449 401 A 456 ARG HBx A 459 CYS HBy 1.0 0.0 4.20 450 402 A 456 ARG HBx A 459 CYS HBx 1.0 0.0 4.20 451 403 A 476 MET HE% A 473 ARG HGx 1.0 0.0 4.32 452 403 A 473 ARG HGy A 476 MET HE% 1.0 0.0 4.32 453 404 A 428 THR HA A 428 THR HG2% 1.0 0.0 3.47 454 405 A 441 THR HG2% A 456 ARG HBx 1.0 0.0 4.45 455 406 A 433 THR HG2% A 443 THR HG2% 1.0 0.0 4.51 456 407 A 431 VAL HG21 A 430 LYS HGy 1.0 0.0 4.54 457 407 A 430 LYS HGy A 431 VAL HGx% 1.0 0.0 4.54 458 408 A 455 THR HG2% A 453 VAL HGx% 1.0 0.0 4.43 459 409 A 453 VAL HGy% A 462 GLU HA 1.0 0.0 4.20 460 410 A 466 VAL HB A 450 MET HE% 1.0 0.0 5.04 461 411 A 428 THR HG2% A 429 ILE HG2% 1.0 0.0 3.87 462 412 A 429 ILE HG2% A 429 ILE HG1x 1.0 0.0 3.99 463 413 A 452 MET HE% A 463 TRP HZ2 1.0 0.0 5.22 464 414 A 452 MET HE% A 445 ARG HBx 1.0 0.0 3.86 465 415 A 452 MET HE% A 452 MET HBx 1.0 0.0 3.79 466 416 A 429 ILE HB A 429 ILE HD1% 1.0 0.0 3.92 467 417 A 465 TRP HBy A 450 MET HA 1.0 0.0 4.17 468 418 A 437 PRO HDy A 461 PHE HBx 1.0 0.0 4.53 469 419 A 418 GLU HBy A 418 GLU HGx 1.0 0.0 2.43 470 419 A 418 GLU HBx A 418 GLU HGx 1.0 0.0 2.43 471 419 A 418 GLU HGy A 418 GLU HBy 1.0 0.0 2.43 472 419 A 418 GLU HBx A 418 GLU HGy 1.0 0.0 2.43 473 420 A 419 ALA HB% A 420 ARG HBx 1.0 0.0 3.59 474 420 A 419 ALA HB% A 420 ARG HBy 1.0 0.0 3.59 475 421 A 422 ASP H A 421 TRP HBx 1.0 0.0 4.13 476 421 A 421 TRP HBy A 422 ASP H 1.0 0.0 4.13 477 422 A 423 GLU H A 423 GLU HBx 1.0 0.0 3.59 478 422 A 423 GLU H A 423 GLU HBy 1.0 0.0 3.59 479 423 A 423 GLU HBy A 423 GLU HGx 1.0 0.0 2.29 480 423 A 423 GLU HBx A 423 GLU HGx 1.0 0.0 2.29 481 423 A 423 GLU HGy A 423 GLU HBx 1.0 0.0 2.29 482 423 A 423 GLU HGy A 423 GLU HBy 1.0 0.0 2.29 483 424 A 429 ILE H A 429 ILE HG1x 1.0 0.0 4.23 484 424 A 429 ILE H A 429 ILE HG1y 1.0 0.0 4.23 485 425 A 429 ILE HG2% A 429 ILE HG1x 1.0 0.0 3.11 486 425 A 429 ILE HG2% A 429 ILE HG1y 1.0 0.0 3.11 487 426 A 430 LYS HBy A 430 LYS HDx 1.0 0.0 2.63 488 426 A 430 LYS HBx A 430 LYS HDx 1.0 0.0 2.63 489 426 A 430 LYS HDy A 430 LYS HBy 1.0 0.0 2.63 490 426 A 430 LYS HDy A 430 LYS HBx 1.0 0.0 2.63 491 427 A 430 LYS HBy A 430 LYS HEy 1.0 0.0 4.08 492 427 A 430 LYS HBx A 430 LYS HEy 1.0 0.0 4.08 493 427 A 430 LYS HEx A 430 LYS HBy 1.0 0.0 4.08 494 427 A 430 LYS HBx A 430 LYS HEx 1.0 0.0 4.08 495 428 A 430 LYS HBx A 431 VAL HGx% 1.0 0.0 4.83 496 428 A 430 LYS HBy A 431 VAL HGx% 1.0 0.0 4.83 497 428 A 431 VAL HG21 A 430 LYS HBy 1.0 0.0 4.83 498 428 A 431 VAL HG21 A 430 LYS HBx 1.0 0.0 4.83 499 429 A 430 LYS HBx A 434 LYS HDy 1.0 0.0 4.61 500 429 A 434 LYS HDx A 430 LYS HBy 1.0 0.0 4.61 501 429 A 430 LYS HBx A 434 LYS HDx 1.0 0.0 4.61 502 429 A 430 LYS HBy A 434 LYS HDy 1.0 0.0 4.61 503 430 A 430 LYS HBy A 434 LYS HEy 1.0 0.0 4.65 504 430 A 430 LYS HBx A 434 LYS HEy 1.0 0.0 4.65 505 430 A 434 LYS HEx A 430 LYS HBy 1.0 0.0 4.65 506 430 A 430 LYS HBx A 434 LYS HEx 1.0 0.0 4.65 507 431 A 430 LYS HDx A 430 LYS HGy 1.0 0.0 2.34 508 431 A 430 LYS HDy A 430 LYS HGy 1.0 0.0 2.34 509 431 A 430 LYS HGx A 430 LYS HDx 1.0 0.0 2.34 510 431 A 430 LYS HDy A 430 LYS HGx 1.0 0.0 2.34 511 432 A 430 LYS HGy A 434 LYS HGy 1.0 0.0 4.07 512 432 A 434 LYS HGx A 430 LYS HGy 1.0 0.0 4.07 513 432 A 430 LYS HGx A 434 LYS HGx 1.0 0.0 4.07 514 432 A 430 LYS HGx A 434 LYS HGy 1.0 0.0 4.07 515 433 A 430 LYS HGy A 434 LYS HDy 1.0 0.0 4.00 516 433 A 430 LYS HGx A 434 LYS HDy 1.0 0.0 4.00 517 433 A 434 LYS HDx A 430 LYS HGy 1.0 0.0 4.00 518 433 A 434 LYS HDx A 430 LYS HGx 1.0 0.0 4.00 519 434 A 430 LYS HGx A 445 ARG HDy 1.0 0.0 3.83 520 434 A 430 LYS HGy A 445 ARG HDy 1.0 0.0 3.83 521 434 A 445 ARG HDx A 430 LYS HGy 1.0 0.0 3.83 522 434 A 430 LYS HGx A 445 ARG HDx 1.0 0.0 3.83 523 435 A 430 LYS HDy A 434 LYS HDy 1.0 0.0 4.51 524 435 A 434 LYS HDx A 430 LYS HDx 1.0 0.0 4.51 525 435 A 430 LYS HDy A 434 LYS HDx 1.0 0.0 4.51 526 435 A 430 LYS HDx A 434 LYS HDy 1.0 0.0 4.51 527 436 A 430 LYS HDy A 445 ARG HDy 1.0 0.0 4.49 528 436 A 430 LYS HDx A 445 ARG HDy 1.0 0.0 4.49 529 436 A 445 ARG HDx A 430 LYS HDx 1.0 0.0 4.49 530 436 A 430 LYS HDy A 445 ARG HDx 1.0 0.0 4.49 531 437 A 431 VAL HB A 434 LYS HEy 1.0 0.0 5.22 532 437 A 431 VAL HB A 434 LYS HEx 1.0 0.0 5.22 533 438 A 431 VAL HG21 A 434 LYS HDy 1.0 0.0 3.85 534 438 A 431 VAL HGx% A 434 LYS HDy 1.0 0.0 3.85 535 438 A 434 LYS HDx A 431 VAL HGx% 1.0 0.0 3.85 536 438 A 431 VAL HG21 A 434 LYS HDx 1.0 0.0 3.85 537 439 A 431 VAL HG21 A 434 LYS HEy 1.0 0.0 3.44 538 439 A 431 VAL HGx% A 434 LYS HEy 1.0 0.0 3.44 539 439 A 434 LYS HEx A 431 VAL HGx% 1.0 0.0 3.44 540 439 A 431 VAL HG21 A 434 LYS HEx 1.0 0.0 3.44 541 440 A 433 THR HG2% A 442 PRO HGy 1.0 0.0 4.05 542 440 A 433 THR HG2% A 442 PRO HGx 1.0 0.0 4.05 543 441 A 433 THR HG2% A 444 GLU HBx 1.0 0.0 4.25 544 441 A 433 THR HG2% A 444 GLU HBy 1.0 0.0 4.25 545 442 A 433 THR HG2% A 444 GLU HGx 1.0 0.0 3.06 546 442 A 433 THR HG2% A 444 GLU HGy 1.0 0.0 3.06 547 443 A 433 THR HG2% A 445 ARG HGy 1.0 0.0 5.24 548 443 A 433 THR HG2% A 445 ARG HGx 1.0 0.0 5.24 549 444 A 434 LYS H A 434 LYS HBx 1.0 0.0 3.65 550 444 A 434 LYS H A 434 LYS HBy 1.0 0.0 3.65 551 445 A 434 LYS H A 434 LYS HGy 1.0 0.0 3.90 552 445 A 434 LYS H A 434 LYS HGx 1.0 0.0 3.90 553 446 A 434 LYS H A 445 ARG HGy 1.0 0.0 4.94 554 446 A 434 LYS H A 445 ARG HGx 1.0 0.0 4.94 555 447 A 434 LYS HA A 434 LYS HGy 1.0 0.0 3.67 556 447 A 434 LYS HA A 434 LYS HGx 1.0 0.0 3.67 557 448 A 434 LYS HBy A 435 PRO HGy 1.0 0.0 5.15 558 448 A 434 LYS HBx A 435 PRO HGy 1.0 0.0 5.15 559 448 A 435 PRO HGx A 434 LYS HBx 1.0 0.0 5.15 560 448 A 434 LYS HBy A 435 PRO HGx 1.0 0.0 5.15 561 449 A 435 PRO HDy A 434 LYS HBx 1.0 0.0 3.63 562 449 A 435 PRO HDy A 434 LYS HBy 1.0 0.0 3.63 563 450 A 435 PRO HDx A 434 LYS HBx 1.0 0.0 4.82 564 450 A 435 PRO HDx A 434 LYS HBy 1.0 0.0 4.82 565 451 A 443 THR HB A 434 LYS HBx 1.0 0.0 4.67 566 451 A 443 THR HB A 434 LYS HBy 1.0 0.0 4.67 567 452 A 452 MET HE% A 434 LYS HBx 1.0 0.0 3.69 568 452 A 452 MET HE% A 434 LYS HBy 1.0 0.0 3.69 569 453 A 463 TRP HH2 A 434 LYS HBx 1.0 0.0 3.35 570 453 A 463 TRP HH2 A 434 LYS HBy 1.0 0.0 3.35 571 454 A 434 LYS HEx A 434 LYS HGy 1.0 0.0 3.23 572 454 A 434 LYS HEy A 434 LYS HGy 1.0 0.0 3.23 573 454 A 434 LYS HGx A 434 LYS HEy 1.0 0.0 3.23 574 454 A 434 LYS HEx A 434 LYS HGx 1.0 0.0 3.23 575 455 A 434 LYS HGy A 445 ARG HBx 1.0 0.0 4.54 576 455 A 434 LYS HGx A 445 ARG HBx 1.0 0.0 4.54 577 455 A 445 ARG HBy A 434 LYS HGy 1.0 0.0 4.54 578 455 A 434 LYS HGx A 445 ARG HBy 1.0 0.0 4.54 579 456 A 452 MET HGy A 434 LYS HGy 1.0 0.0 5.34 580 456 A 452 MET HGy A 434 LYS HGx 1.0 0.0 5.34 581 457 A 452 MET HE% A 434 LYS HGy 1.0 0.0 4.01 582 457 A 452 MET HE% A 434 LYS HGx 1.0 0.0 4.01 583 458 A 463 TRP HH2 A 434 LYS HGy 1.0 0.0 4.28 584 458 A 463 TRP HH2 A 434 LYS HGx 1.0 0.0 4.28 585 459 A 452 MET HE% A 434 LYS HDy 1.0 0.0 4.88 586 459 A 452 MET HE% A 434 LYS HDx 1.0 0.0 4.88 587 460 A 434 LYS HEx A 445 ARG HDy 1.0 0.0 4.53 588 460 A 434 LYS HEy A 445 ARG HDy 1.0 0.0 4.53 589 460 A 445 ARG HDx A 434 LYS HEy 1.0 0.0 4.53 590 460 A 434 LYS HEx A 445 ARG HDx 1.0 0.0 4.53 591 461 A 435 PRO HBy A 440 ARG HBy 1.0 0.0 4.20 592 461 A 435 PRO HBy A 440 ARG HBx 1.0 0.0 4.20 593 462 A 435 PRO HBy A 440 ARG HGy 1.0 0.0 2.43 594 462 A 435 PRO HBy A 440 ARG HGx 1.0 0.0 2.43 595 463 A 435 PRO HGy A 440 ARG HGy 1.0 0.0 4.05 596 463 A 435 PRO HGx A 440 ARG HGy 1.0 0.0 4.05 597 463 A 440 ARG HGx A 435 PRO HGy 1.0 0.0 4.05 598 463 A 435 PRO HGx A 440 ARG HGx 1.0 0.0 4.05 599 464 A 436 CYS HBy A 454 CYS HBx 1.0 0.0 4.38 600 464 A 436 CYS HBx A 454 CYS HBx 1.0 0.0 4.38 601 464 A 454 CYS HBy A 436 CYS HBx 1.0 0.0 4.38 602 464 A 436 CYS HBy A 454 CYS HBy 1.0 0.0 4.38 603 465 A 437 PRO HA A 438 LYS HDy 1.0 0.0 4.68 604 465 A 437 PRO HA A 438 LYS HDx 1.0 0.0 4.68 605 466 A 437 PRO HBy A 438 LYS HGy 1.0 0.0 4.50 606 466 A 437 PRO HBy A 438 LYS HGx 1.0 0.0 4.50 607 467 A 437 PRO HBy A 438 LYS HDy 1.0 0.0 3.21 608 467 A 437 PRO HBy A 438 LYS HDx 1.0 0.0 3.21 609 468 A 437 PRO HGy A 438 LYS HGy 1.0 0.0 4.63 610 468 A 437 PRO HGy A 438 LYS HGx 1.0 0.0 4.63 611 469 A 437 PRO HDy A 438 LYS HDy 1.0 0.0 4.01 612 469 A 437 PRO HDy A 438 LYS HDx 1.0 0.0 4.01 613 470 A 438 LYS H A 438 LYS HGy 1.0 0.0 4.67 614 470 A 438 LYS H A 438 LYS HGx 1.0 0.0 4.67 615 471 A 438 LYS H A 438 LYS HDy 1.0 0.0 4.89 616 471 A 438 LYS H A 438 LYS HDx 1.0 0.0 4.89 617 472 A 438 LYS HA A 438 LYS HGy 1.0 0.0 3.43 618 472 A 438 LYS HGx A 438 LYS HA 1.0 0.0 3.43 619 473 A 438 LYS HBy A 438 LYS HDy 1.0 0.0 3.55 620 473 A 438 LYS HBy A 438 LYS HDx 1.0 0.0 3.55 621 474 A 438 LYS HEx A 438 LYS HGy 1.0 0.0 3.27 622 474 A 438 LYS HEy A 438 LYS HGy 1.0 0.0 3.27 623 474 A 438 LYS HGx A 438 LYS HEx 1.0 0.0 3.27 624 474 A 438 LYS HEy A 438 LYS HGx 1.0 0.0 3.27 625 475 A 461 PHE HBy A 438 LYS HDy 1.0 0.0 5.34 626 475 A 461 PHE HBy A 438 LYS HDx 1.0 0.0 5.34 627 476 A 439 CYS H A 439 CYS HBy 1.0 0.0 3.55 628 476 A 439 CYS H A 439 CYS HBx 1.0 0.0 3.55 629 477 A 439 CYS HBy A 459 CYS HBx 1.0 0.0 4.50 630 477 A 439 CYS HBx A 459 CYS HBx 1.0 0.0 4.50 631 477 A 459 CYS HBy A 439 CYS HBy 1.0 0.0 4.50 632 477 A 439 CYS HBx A 459 CYS HBy 1.0 0.0 4.50 633 478 A 440 ARG H A 440 ARG HBy 1.0 0.0 3.63 634 478 A 440 ARG H A 440 ARG HBx 1.0 0.0 3.63 635 479 A 440 ARG HA A 440 ARG HGy 1.0 0.0 3.47 636 479 A 440 ARG HA A 440 ARG HGx 1.0 0.0 3.47 637 480 A 440 ARG HA A 440 ARG HDy 1.0 0.0 3.86 638 480 A 440 ARG HA A 440 ARG HDx 1.0 0.0 3.86 639 481 A 441 THR HG2% A 440 ARG HBy 1.0 0.0 5.34 640 481 A 441 THR HG2% A 440 ARG HBx 1.0 0.0 5.34 641 482 A 441 THR H A 442 PRO HDy 1.0 0.0 4.71 642 482 A 441 THR H A 442 PRO HDx 1.0 0.0 4.71 643 483 A 441 THR HA A 442 PRO HGy 1.0 0.0 4.61 644 483 A 441 THR HA A 442 PRO HGx 1.0 0.0 4.61 645 484 A 441 THR HB A 442 PRO HGy 1.0 0.0 3.93 646 484 A 441 THR HB A 442 PRO HGx 1.0 0.0 3.93 647 485 A 441 THR HB A 442 PRO HDy 1.0 0.0 3.59 648 485 A 441 THR HB A 442 PRO HDx 1.0 0.0 3.59 649 486 A 443 THR HG2% A 444 GLU HBx 1.0 0.0 4.22 650 486 A 443 THR HG2% A 444 GLU HBy 1.0 0.0 4.22 651 487 A 444 GLU H A 444 GLU HBx 1.0 0.0 3.09 652 487 A 444 GLU H A 444 GLU HBy 1.0 0.0 3.09 653 488 A 444 GLU H A 444 GLU HGx 1.0 0.0 3.86 654 488 A 444 GLU H A 444 GLU HGy 1.0 0.0 3.86 655 489 A 444 GLU HA A 444 GLU HGx 1.0 0.0 3.61 656 489 A 444 GLU HA A 444 GLU HGy 1.0 0.0 3.61 657 490 A 445 ARG H A 444 GLU HBx 1.0 0.0 4.15 658 490 A 445 ARG H A 444 GLU HBy 1.0 0.0 4.15 659 491 A 445 ARG H A 444 GLU HGx 1.0 0.0 4.23 660 491 A 445 ARG H A 444 GLU HGy 1.0 0.0 4.23 661 492 A 445 ARG H A 445 ARG HBx 1.0 0.0 3.42 662 492 A 445 ARG H A 445 ARG HBy 1.0 0.0 3.42 663 493 A 445 ARG H A 445 ARG HGy 1.0 0.0 4.15 664 493 A 445 ARG H A 445 ARG HGx 1.0 0.0 4.15 665 494 A 445 ARG H A 445 ARG HDy 1.0 0.0 4.86 666 494 A 445 ARG H A 445 ARG HDx 1.0 0.0 4.86 667 495 A 452 MET HGx A 445 ARG HBx 1.0 0.0 4.05 668 495 A 452 MET HGx A 445 ARG HBy 1.0 0.0 4.05 669 496 A 452 MET HE% A 445 ARG HBx 1.0 0.0 3.23 670 496 A 452 MET HE% A 445 ARG HBy 1.0 0.0 3.23 671 497 A 446 ASP H A 445 ARG HGy 1.0 0.0 5.02 672 497 A 446 ASP H A 445 ARG HGx 1.0 0.0 5.02 673 498 A 452 MET HE% A 445 ARG HGy 1.0 0.0 4.69 674 498 A 452 MET HE% A 445 ARG HGx 1.0 0.0 4.69 675 499 A 446 ASP H A 445 ARG HDy 1.0 0.0 5.34 676 499 A 446 ASP H A 445 ARG HDx 1.0 0.0 5.34 677 500 A 446 ASP H A 446 ASP HBx 1.0 0.0 3.63 678 500 A 446 ASP H A 446 ASP HBy 1.0 0.0 3.63 679 501 A 451 HIS H A 449 CYS HBx 1.0 0.0 3.01 680 501 A 451 HIS H A 449 CYS HBy 1.0 0.0 3.01 681 502 A 449 CYS HBx A 481 PHE HBx 1.0 0.0 3.89 682 502 A 449 CYS HBy A 481 PHE HBx 1.0 0.0 3.89 683 502 A 481 PHE HBy A 449 CYS HBx 1.0 0.0 3.89 684 502 A 449 CYS HBy A 481 PHE HBy 1.0 0.0 3.89 685 503 A 450 MET HA A 450 MET HGx 1.0 0.0 3.65 686 503 A 450 MET HA A 450 MET HGy 1.0 0.0 3.65 687 504 A 450 MET HE% A 450 MET HBy 1.0 0.0 3.93 688 504 A 450 MET HE% A 450 MET HBx 1.0 0.0 3.93 689 505 A 450 MET HBy A 451 HIS HBx 1.0 0.0 5.18 690 505 A 450 MET HBx A 451 HIS HBx 1.0 0.0 5.18 691 505 A 451 HIS HBy A 450 MET HBy 1.0 0.0 5.18 692 505 A 450 MET HBx A 451 HIS HBy 1.0 0.0 5.18 693 506 A 450 MET HBx A 466 VAL HGy% 1.0 0.0 5.28 694 506 A 450 MET HBy A 466 VAL HGy% 1.0 0.0 5.28 695 506 A 466 VAL HGx% A 450 MET HBy 1.0 0.0 5.28 696 506 A 450 MET HBx A 466 VAL HGx% 1.0 0.0 5.28 697 507 A 482 GLY H A 450 MET HBy 1.0 0.0 4.66 698 507 A 482 GLY H A 450 MET HBx 1.0 0.0 4.66 699 508 A 450 MET HE% A 450 MET HGx 1.0 0.0 3.58 700 508 A 450 MET HE% A 450 MET HGy 1.0 0.0 3.58 701 509 A 465 TRP H A 450 MET HGx 1.0 0.0 3.93 702 509 A 465 TRP H A 450 MET HGy 1.0 0.0 3.93 703 510 A 466 VAL H A 450 MET HGx 1.0 0.0 3.79 704 510 A 466 VAL H A 450 MET HGy 1.0 0.0 3.79 705 511 A 450 MET HGx A 466 VAL HGy% 1.0 0.0 4.64 706 511 A 450 MET HGy A 466 VAL HGy% 1.0 0.0 4.64 707 511 A 466 VAL HGx% A 450 MET HGx 1.0 0.0 4.64 708 511 A 450 MET HGy A 466 VAL HGx% 1.0 0.0 4.64 709 512 A 450 MET HE% A 466 VAL HGy% 1.0 0.0 3.49 710 512 A 450 MET HE% A 466 VAL HGx% 1.0 0.0 3.49 711 513 A 450 MET HE% A 479 HIS HBy 1.0 0.0 3.87 712 513 A 450 MET HE% A 479 HIS HBx 1.0 0.0 3.87 713 514 A 450 MET HE% A 482 GLY HAy 1.0 0.0 3.71 714 514 A 450 MET HE% A 482 GLY HAx 1.0 0.0 3.71 715 515 A 451 HIS HD2 A 451 HIS HBx 1.0 0.0 3.49 716 515 A 451 HIS HD2 A 451 HIS HBy 1.0 0.0 3.49 717 516 A 452 MET H A 451 HIS HBx 1.0 0.0 4.45 718 516 A 452 MET H A 451 HIS HBy 1.0 0.0 4.45 719 517 A 451 HIS HD2 A 462 GLU HBx 1.0 0.0 3.56 720 517 A 451 HIS HD2 A 462 GLU HBy 1.0 0.0 3.56 721 518 A 452 MET H A 452 MET HBx 1.0 0.0 3.50 722 518 A 452 MET H A 452 MET HBy 1.0 0.0 3.50 723 519 A 453 VAL H A 452 MET HBx 1.0 0.0 4.24 724 519 A 453 VAL H A 452 MET HBy 1.0 0.0 4.24 725 520 A 453 VAL HGy% A 452 MET HBx 1.0 0.0 4.69 726 520 A 453 VAL HGy% A 452 MET HBy 1.0 0.0 4.69 727 521 A 463 TRP H A 452 MET HBx 1.0 0.0 4.14 728 521 A 463 TRP H A 452 MET HBy 1.0 0.0 4.14 729 522 A 453 VAL HA A 462 GLU HGx 1.0 0.0 4.31 730 522 A 453 VAL HA A 462 GLU HGy 1.0 0.0 4.31 731 523 A 453 VAL HGx% A 462 GLU HGx 1.0 0.0 3.43 732 523 A 453 VAL HGx% A 462 GLU HGy 1.0 0.0 3.43 733 524 A 453 VAL HGy% A 462 GLU HGx 1.0 0.0 3.31 734 524 A 453 VAL HGy% A 462 GLU HGy 1.0 0.0 3.31 735 525 A 454 CYS H A 462 GLU HGx 1.0 0.0 4.40 736 525 A 454 CYS H A 462 GLU HGy 1.0 0.0 4.40 737 526 A 455 THR H A 454 CYS HBx 1.0 0.0 3.98 738 526 A 455 THR H A 454 CYS HBy 1.0 0.0 3.98 739 527 A 460 GLY H A 454 CYS HBx 1.0 0.0 5.21 740 527 A 460 GLY H A 454 CYS HBy 1.0 0.0 5.21 741 528 A 463 TRP HD1 A 454 CYS HBx 1.0 0.0 5.31 742 528 A 463 TRP HD1 A 454 CYS HBy 1.0 0.0 5.31 743 529 A 463 TRP HE1 A 454 CYS HBx 1.0 0.0 4.06 744 529 A 463 TRP HE1 A 454 CYS HBy 1.0 0.0 4.06 745 530 A 456 ARG H A 459 CYS HBx 1.0 0.0 3.74 746 530 A 456 ARG H A 459 CYS HBy 1.0 0.0 3.74 747 531 A 456 ARG H A 460 GLY HAy 1.0 0.0 5.34 748 531 A 456 ARG H A 460 GLY HAx 1.0 0.0 5.34 749 532 A 456 ARG HBy A 459 CYS HBx 1.0 0.0 4.36 750 532 A 456 ARG HBy A 459 CYS HBy 1.0 0.0 4.36 751 533 A 456 ARG HBx A 459 CYS HBx 1.0 0.0 3.62 752 533 A 456 ARG HBx A 459 CYS HBy 1.0 0.0 3.62 753 534 A 456 ARG HDy A 459 CYS HBx 1.0 0.0 3.38 754 534 A 456 ARG HDx A 459 CYS HBx 1.0 0.0 3.38 755 534 A 459 CYS HBy A 456 ARG HDx 1.0 0.0 3.38 756 534 A 456 ARG HDy A 459 CYS HBy 1.0 0.0 3.38 757 535 A 460 GLY H A 459 CYS HBx 1.0 0.0 3.15 758 535 A 460 GLY H A 459 CYS HBy 1.0 0.0 3.15 759 536 A 461 PHE HE% A 470 GLU HBx 1.0 0.0 3.56 760 536 A 461 PHE HE% A 470 GLU HBy 1.0 0.0 3.56 761 537 A 461 PHE HE% A 470 GLU HGx 1.0 0.0 5.09 762 537 A 461 PHE HE% A 470 GLU HGy 1.0 0.0 5.09 763 538 A 461 PHE HZ A 470 GLU HBx 1.0 0.0 3.33 764 538 A 461 PHE HZ A 470 GLU HBy 1.0 0.0 3.33 765 539 A 462 GLU H A 462 GLU HBx 1.0 0.0 3.28 766 539 A 462 GLU H A 462 GLU HBy 1.0 0.0 3.28 767 540 A 462 GLU H A 462 GLU HGx 1.0 0.0 3.58 768 540 A 462 GLU H A 462 GLU HGy 1.0 0.0 3.58 769 541 A 462 GLU HA A 462 GLU HGx 1.0 0.0 3.32 770 541 A 462 GLU HA A 462 GLU HGy 1.0 0.0 3.32 771 542 A 463 TRP H A 462 GLU HBx 1.0 0.0 3.94 772 542 A 463 TRP H A 462 GLU HBy 1.0 0.0 3.94 773 543 A 463 TRP H A 462 GLU HGx 1.0 0.0 4.56 774 543 A 463 TRP H A 462 GLU HGy 1.0 0.0 4.56 775 544 A 463 TRP HA A 471 TRP HBx 1.0 0.0 5.34 776 544 A 463 TRP HA A 471 TRP HBy 1.0 0.0 5.34 777 545 A 463 TRP HE3 A 468 GLN HGy 1.0 0.0 4.88 778 545 A 463 TRP HE3 A 468 GLN HGx 1.0 0.0 4.88 779 546 A 463 TRP HZ3 A 468 GLN HGy 1.0 0.0 4.04 780 546 A 463 TRP HZ3 A 468 GLN HGx 1.0 0.0 4.04 781 547 A 464 CYS H A 464 CYS HBx 1.0 0.0 3.54 782 547 A 464 CYS H A 464 CYS HBy 1.0 0.0 3.54 783 548 A 464 CYS HBy A 467 CYS HBy 1.0 0.0 3.69 784 548 A 464 CYS HBx A 467 CYS HBy 1.0 0.0 3.69 785 548 A 467 CYS HBx A 464 CYS HBx 1.0 0.0 3.69 786 548 A 464 CYS HBy A 467 CYS HBx 1.0 0.0 3.69 787 549 A 471 TRP HA A 464 CYS HBx 1.0 0.0 5.00 788 549 A 471 TRP HA A 464 CYS HBy 1.0 0.0 5.00 789 550 A 480 TRP HA A 464 CYS HBx 1.0 0.0 5.34 790 550 A 480 TRP HA A 464 CYS HBy 1.0 0.0 5.34 791 551 A 480 TRP HE3 A 464 CYS HBx 1.0 0.0 3.32 792 551 A 480 TRP HE3 A 464 CYS HBy 1.0 0.0 3.32 793 552 A 465 TRP HBx A 466 VAL HGy% 1.0 0.0 4.29 794 552 A 465 TRP HBx A 466 VAL HGx% 1.0 0.0 4.29 795 553 A 465 TRP HD1 A 466 VAL HGy% 1.0 0.0 3.31 796 553 A 465 TRP HD1 A 466 VAL HGx% 1.0 0.0 3.31 797 554 A 466 VAL H A 466 VAL HGy% 1.0 0.0 3.10 798 554 A 466 VAL H A 466 VAL HGx% 1.0 0.0 3.10 799 555 A 466 VAL HGx% A 479 HIS HBy 1.0 0.0 4.28 800 555 A 466 VAL HGy% A 479 HIS HBy 1.0 0.0 4.28 801 555 A 479 HIS HBx A 466 VAL HGy% 1.0 0.0 4.28 802 555 A 466 VAL HGx% A 479 HIS HBx 1.0 0.0 4.28 803 556 A 479 HIS HD2 A 466 VAL HGy% 1.0 0.0 4.15 804 556 A 479 HIS HD2 A 466 VAL HGx% 1.0 0.0 4.15 805 557 A 479 HIS HE1 A 466 VAL HGy% 1.0 0.0 3.57 806 557 A 479 HIS HE1 A 466 VAL HGx% 1.0 0.0 3.57 807 558 A 468 GLN HA A 468 GLN HGy 1.0 0.0 3.73 808 558 A 468 GLN HA A 468 GLN HGx 1.0 0.0 3.73 809 559 A 470 GLU H A 470 GLU HBx 1.0 0.0 3.15 810 559 A 470 GLU H A 470 GLU HBy 1.0 0.0 3.15 811 560 A 470 GLU H A 470 GLU HGx 1.0 0.0 3.28 812 560 A 470 GLU H A 470 GLU HGy 1.0 0.0 3.28 813 561 A 470 GLU HA A 470 GLU HGx 1.0 0.0 3.57 814 561 A 470 GLU HA A 470 GLU HGy 1.0 0.0 3.57 815 562 A 470 GLU HBx A 470 GLU HGx 1.0 0.0 2.36 816 562 A 470 GLU HBy A 470 GLU HGx 1.0 0.0 2.36 817 562 A 470 GLU HGy A 470 GLU HBx 1.0 0.0 2.36 818 562 A 470 GLU HBy A 470 GLU HGy 1.0 0.0 2.36 819 563 A 471 TRP H A 470 GLU HBx 1.0 0.0 4.09 820 563 A 471 TRP H A 470 GLU HBy 1.0 0.0 4.09 821 564 A 470 GLU HBx A 471 TRP HBx 1.0 0.0 5.18 822 564 A 470 GLU HBy A 471 TRP HBx 1.0 0.0 5.18 823 564 A 471 TRP HBy A 470 GLU HBx 1.0 0.0 5.18 824 564 A 470 GLU HBy A 471 TRP HBy 1.0 0.0 5.18 825 565 A 472 THR H A 471 TRP HBx 1.0 0.0 4.28 826 565 A 471 TRP HBy A 472 THR H 1.0 0.0 4.28 827 566 A 473 ARG HA A 476 MET HBx 1.0 0.0 3.65 828 566 A 473 ARG HA A 476 MET HBy 1.0 0.0 3.65 829 567 A 474 ASP H A 474 ASP HBy 1.0 0.0 3.46 830 567 A 474 ASP H A 474 ASP HBx 1.0 0.0 3.46 831 568 A 475 CYS H A 474 ASP HBy 1.0 0.0 3.90 832 568 A 475 CYS H A 474 ASP HBx 1.0 0.0 3.90 833 569 A 475 CYS H A 475 CYS HBx 1.0 0.0 3.37 834 569 A 475 CYS H A 475 CYS HBy 1.0 0.0 3.37 835 570 A 475 CYS H A 476 MET HBx 1.0 0.0 5.34 836 570 A 475 CYS H A 476 MET HBy 1.0 0.0 5.34 837 571 A 476 MET HE% A 476 MET HBx 1.0 0.0 3.35 838 571 A 476 MET HE% A 476 MET HBy 1.0 0.0 3.35 839 572 A 480 TRP HE1 A 476 MET HBx 1.0 0.0 4.30 840 572 A 476 MET HBy A 480 TRP HE1 1.0 0.0 4.30 841 573 A 480 TRP HZ2 A 476 MET HBx 1.0 0.0 3.55 842 573 A 480 TRP HZ2 A 476 MET HBy 1.0 0.0 3.55 843 574 A 480 TRP HE1 A 477 GLY HAy 1.0 0.0 4.21 844 574 A 480 TRP HE1 A 477 GLY HAx 1.0 0.0 4.21 845 575 A 480 TRP HD1 A 480 TRP HBx 1.0 0.0 3.40 846 575 A 480 TRP HD1 A 480 TRP HBy 1.0 0.0 3.40 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 436 CYS SG A 439 CYS SG 1.0 3.77 4.15 2 2 A 436 CYS SG A 454 CYS SG 1.0 3.77 4.15 3 3 A 436 CYS SG A 459 CYS SG 1.0 3.77 4.15 4 4 A 439 CYS SG A 454 CYS SG 1.0 3.77 4.15 5 5 A 439 CYS SG A 459 CYS SG 1.0 3.77 4.15 6 6 A 454 CYS SG A 459 CYS SG 1.0 3.77 4.15 7 7 A 464 CYS SG A 467 CYS SG 1.0 3.77 4.15 8 8 A 464 CYS SG A 475 CYS SG 1.0 3.77 4.15 9 9 A 467 CYS SG A 475 CYS SG 1.0 3.77 4.15 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 432 SER C A 433 THR N A 433 THR CA A 433 THR C 1.0 -175.0 -87.0 PHI 2 2 A 433 THR N A 433 THR CA A 433 THR C A 434 LYS N 1.0 113.0 177.0 PSI 3 3 A 433 THR C A 434 LYS N A 434 LYS CA A 434 LYS C 1.0 -163.0 -103.0 PHI 4 4 A 434 LYS N A 434 LYS CA A 434 LYS C A 435 PRO N 1.0 83.0 187.0 PSI 5 5 A 442 PRO C A 443 THR N A 443 THR CA A 443 THR C 1.0 -154.0 -62.0 PHI 6 6 A 443 THR N A 443 THR CA A 443 THR C A 444 GLU N 1.0 116.0 160.0 PSI 7 7 A 443 THR C A 444 GLU N A 444 GLU CA A 444 GLU C 1.0 -155.0 -55.0 PHI 8 8 A 444 GLU N A 444 GLU CA A 444 GLU C A 445 ARG N 1.0 93.0 177.0 PSI 9 9 A 444 GLU C A 445 ARG N A 445 ARG CA A 445 ARG C 1.0 -133.0 -41.0 PHI 10 10 A 445 ARG N A 445 ARG CA A 445 ARG C A 446 ASP N 1.0 93.0 177.0 PSI 11 11 A 445 ARG C A 446 ASP N A 446 ASP CA A 446 ASP C 1.0 -159.0 -27.0 PHI 12 12 A 446 ASP N A 446 ASP CA A 446 ASP C A 447 GLY N 1.0 93.0 165.0 PSI 13 13 A 450 MET C A 451 HIS N A 451 HIS CA A 451 HIS C 1.0 -125.0 -65.0 PHI 14 14 A 451 HIS N A 451 HIS CA A 451 HIS C A 452 MET N 1.0 97.0 137.0 PSI 15 15 A 452 MET C A 453 VAL N A 453 VAL CA A 453 VAL C 1.0 -162.7 -39.5 PHI 16 16 A 453 VAL N A 453 VAL CA A 453 VAL C A 454 CYS N 1.0 110.9 150.5 PSI 17 17 A 460 GLY C A 461 PHE N A 461 PHE CA A 461 PHE C 1.0 -156.0 -52.0 PHI 18 18 A 461 PHE N A 461 PHE CA A 461 PHE C A 462 GLU N 1.0 94.0 162.0 PSI 19 19 A 461 PHE C A 462 GLU N A 462 GLU CA A 462 GLU C 1.0 -146.0 -86.0 PHI 20 20 A 462 GLU N A 462 GLU CA A 462 GLU C A 463 TRP N 1.0 99.0 163.0 PSI 21 21 A 462 GLU C A 463 TRP N A 463 TRP CA A 463 TRP C 1.0 -177.0 -105.0 PHI 22 22 A 463 TRP N A 463 TRP CA A 463 TRP C A 464 CYS N 1.0 130.0 182.0 PSI stop_ save_