data_nef_c25736_5aay 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 5aay 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 8 CYS SG 2 1 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 24 HIS NE2 2 1 ZN ZN 1 28 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 390 GLY start . false 2 A 391 SER middle . . 3 A 392 PRO middle . false 4 A 393 PRO middle . false 5 A 394 ASP middle . . 6 A 395 PHE middle . . 7 A 396 CYS middle . . 8 A 397 CYS middle -HG . 9 A 398 PRO middle . false 10 A 399 LYS middle . . 11 A 400 CYS middle -HG . 12 A 401 GLN middle . . 13 A 402 TYR middle . . 14 A 403 GLN middle . . 15 A 404 ALA middle . . 16 A 405 PRO middle . false 17 A 406 ASP middle . . 18 A 407 MET middle . . 19 A 408 ASP middle . . 20 A 409 THR middle . . 21 A 410 LEU middle . . 22 A 411 GLN middle . . 23 A 412 ILE middle . . 24 A 413 HIS middle -HE2 . 25 A 414 VAL middle . . 26 A 415 MET middle . . 27 A 416 GLU middle . . 28 A 417 CYS middle -HG . 29 A 418 ILE middle . . 30 A 419 GLU end . . 31 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 391 SER H1 H 1 8.319 0.01 A 391 SER HA H 1 4.706 0.01 A 391 SER HBx H 1 3.649 0.01 A 391 SER HBy H 1 3.790 0.01 A 392 PRO HA H 1 4.596 0.01 A 392 PRO HBx H 1 1.804 0.01 A 392 PRO HBy H 1 2.252 0.01 A 392 PRO HDy H 1 3.773 0.01 A 392 PRO HDx H 1 3.562 0.01 A 392 PRO HG2 H 1 1.936 0.01 A 392 PRO HG3 H 1 1.936 0.01 A 392 PRO CB C 13 30.120 0.10 A 392 PRO CD C 13 48.080 0.10 A 392 PRO CG C 13 24.870 0.10 A 393 PRO HA H 1 4.205 0.01 A 393 PRO HBy H 1 2.046 0.01 A 393 PRO HBx H 1 1.592 0.01 A 393 PRO HDy H 1 3.661 0.01 A 393 PRO HDx H 1 3.505 0.01 A 393 PRO HGy H 1 1.890 0.01 A 393 PRO HGx H 1 1.857 0.01 A 393 PRO C C 13 176.430 0.10 A 393 PRO CA C 13 62.480 0.10 A 393 PRO CB C 13 31.170 0.10 A 393 PRO CD C 13 47.740 0.10 A 393 PRO CG C 13 24.840 0.10 A 394 ASP H H 1 7.896 0.01 A 394 ASP HA H 1 4.221 0.01 A 394 ASP HB2 H 1 2.143 0.01 A 394 ASP HB3 H 1 2.143 0.01 A 394 ASP C C 13 176.100 0.10 A 394 ASP CA C 13 53.410 0.10 A 394 ASP CB C 13 40.730 0.10 A 394 ASP N N 15 119.070 0.10 A 395 PHE H H 1 8.290 0.01 A 395 PHE HA H 1 4.586 0.01 A 395 PHE HB2 H 1 2.965 0.01 A 395 PHE HB3 H 1 3.004 0.01 A 395 PHE HD1 H 1 6.970 0.01 A 395 PHE HD2 H 1 6.970 0.01 A 395 PHE HE1 H 1 7.239 0.01 A 395 PHE HE2 H 1 7.239 0.01 A 395 PHE C C 13 174.350 0.10 A 395 PHE CA C 13 55.420 0.10 A 395 PHE CB C 13 37.480 0.10 A 395 PHE N N 15 119.500 0.10 A 396 CYS H H 1 7.921 0.01 A 396 CYS HA H 1 5.145 0.01 A 396 CYS HBx H 1 2.525 0.01 A 396 CYS HBy H 1 2.598 0.01 A 396 CYS C C 13 175.230 0.10 A 396 CYS CA C 13 56.250 0.10 A 396 CYS CB C 13 28.710 0.10 A 396 CYS N N 15 119.000 0.10 A 397 CYS H H 1 9.232 0.01 A 397 CYS HA H 1 4.482 0.01 A 397 CYS HB2 H 1 3.263 0.01 A 397 CYS HB3 H 1 2.717 0.01 A 397 CYS C C 13 176.180 0.10 A 397 CYS CA C 13 56.300 0.10 A 397 CYS CB C 13 31.280 0.10 A 397 CYS N N 15 130.600 0.10 A 398 PRO HA H 1 4.465 0.01 A 398 PRO HBx H 1 1.978 0.01 A 398 PRO HBy H 1 2.342 0.01 A 398 PRO HDx H 1 4.040 0.01 A 398 PRO HDy H 1 4.191 0.01 A 398 PRO HGx H 1 2.033 0.01 A 398 PRO HGy H 1 2.102 0.01 A 398 PRO C C 13 177.610 0.10 A 398 PRO CA C 13 63.580 0.10 A 398 PRO CB C 13 31.750 0.10 A 398 PRO CD C 13 48.730 0.10 A 398 PRO CG C 13 24.610 0.10 A 399 LYS H H 1 9.192 0.01 A 399 LYS HA H 1 4.328 0.01 A 399 LYS HB2 H 1 1.859 0.01 A 399 LYS HB3 H 1 2.011 0.01 A 399 LYS HDy H 1 1.802 0.01 A 399 LYS HDx H 1 1.647 0.01 A 399 LYS HEy H 1 3.028 0.01 A 399 LYS HEx H 1 2.911 0.01 A 399 LYS HGy H 1 1.351 0.01 A 399 LYS HGx H 1 1.284 0.01 A 399 LYS C C 13 177.900 0.10 A 399 LYS CA C 13 57.730 0.10 A 399 LYS CB C 13 33.230 0.10 A 399 LYS CD C 13 26.870 0.10 A 399 LYS CE C 13 39.860 0.10 A 399 LYS CG C 13 22.960 0.10 A 399 LYS N N 15 121.430 0.10 A 400 CYS H H 1 8.207 0.01 A 400 CYS HA H 1 5.002 0.01 A 400 CYS HB2 H 1 3.266 0.01 A 400 CYS HB3 H 1 2.363 0.01 A 400 CYS C C 13 176.450 0.10 A 400 CYS CA C 13 57.940 0.10 A 400 CYS CB C 13 32.070 0.10 A 400 CYS N N 15 117.970 0.10 A 401 GLN H H 1 7.967 0.01 A 401 GLN HA H 1 4.086 0.01 A 401 GLN HBx H 1 2.234 0.01 A 401 GLN HBy H 1 2.337 0.01 A 401 GLN HE21 H 1 6.445 0.01 A 401 GLN HE22 H 1 7.280 0.01 A 401 GLN HG2 H 1 2.205 0.01 A 401 GLN HG3 H 1 2.205 0.01 A 401 GLN C C 13 175.230 0.10 A 401 GLN CA C 13 57.940 0.10 A 401 GLN CB C 13 25.310 0.10 A 401 GLN CG C 13 32.040 0.10 A 401 GLN N N 15 116.020 0.10 A 402 TYR H H 1 8.762 0.01 A 402 TYR HA H 1 4.131 0.01 A 402 TYR HB2 H 1 2.004 0.01 A 402 TYR HB3 H 1 2.960 0.01 A 402 TYR HD1 H 1 6.331 0.01 A 402 TYR HD2 H 1 6.331 0.01 A 402 TYR HE1 H 1 6.433 0.01 A 402 TYR HE2 H 1 6.433 0.01 A 402 TYR C C 13 173.980 0.10 A 402 TYR CA C 13 58.800 0.10 A 402 TYR CB C 13 39.330 0.10 A 402 TYR N N 15 124.050 0.10 A 403 GLN H H 1 7.662 0.01 A 403 GLN HA H 1 4.362 0.01 A 403 GLN HBy H 1 1.719 0.01 A 403 GLN HBx H 1 1.624 0.01 A 403 GLN HE21 H 1 6.760 0.01 A 403 GLN HE22 H 1 7.552 0.01 A 403 GLN HGx H 1 2.084 0.01 A 403 GLN HGy H 1 2.181 0.01 A 403 GLN C C 13 173.930 0.10 A 403 GLN CA C 13 53.240 0.10 A 403 GLN CB C 13 28.450 0.10 A 403 GLN CG C 13 30.960 0.10 A 403 GLN N N 15 127.580 0.10 A 404 ALA H H 1 8.260 0.01 A 404 ALA HA H 1 4.335 0.01 A 404 ALA HB% H 1 1.419 0.01 A 404 ALA C C 13 176.830 0.10 A 404 ALA CA C 13 48.400 0.10 A 404 ALA CB C 13 20.220 0.10 A 404 ALA N N 15 127.850 0.10 A 405 PRO HA H 1 3.616 0.01 A 405 PRO HBy H 1 2.230 0.01 A 405 PRO HBx H 1 1.925 0.01 A 405 PRO HDx H 1 3.624 0.01 A 405 PRO HDy H 1 3.704 0.01 A 405 PRO HGy H 1 2.072 0.01 A 405 PRO HGx H 1 1.961 0.01 A 405 PRO C C 13 176.270 0.10 A 405 PRO CA C 13 62.830 0.10 A 405 PRO CB C 13 31.660 0.10 A 405 PRO CD C 13 47.770 0.10 A 405 PRO CG C 13 24.370 0.10 A 406 ASP H H 1 6.938 0.01 A 406 ASP HA H 1 3.669 0.01 A 406 ASP HBx H 1 2.700 0.01 A 406 ASP HBy H 1 2.735 0.01 A 406 ASP C C 13 174.930 0.10 A 406 ASP CA C 13 51.530 0.10 A 406 ASP CB C 13 41.100 0.10 A 406 ASP N N 15 111.680 0.10 A 407 MET H H 1 8.164 0.01 A 407 MET HA H 1 3.900 0.01 A 407 MET HB2 H 1 1.901 0.01 A 407 MET HB3 H 1 1.901 0.01 A 407 MET HE% H 1 2.094 0.01 A 407 MET HG2 H 1 2.519 0.01 A 407 MET HG3 H 1 2.519 0.01 A 407 MET C C 13 178.430 0.10 A 407 MET CA C 13 56.870 0.10 A 407 MET CB C 13 31.590 0.10 A 407 MET CE C 13 14.780 0.10 A 407 MET CG C 13 29.760 0.10 A 407 MET N N 15 118.140 0.10 A 408 ASP H H 1 8.253 0.01 A 408 ASP HA H 1 4.261 0.01 A 408 ASP HB2 H 1 2.523 0.01 A 408 ASP HB3 H 1 2.523 0.01 A 408 ASP C C 13 179.730 0.10 A 408 ASP CA C 13 57.070 0.10 A 408 ASP CB C 13 39.690 0.10 A 408 ASP N N 15 120.550 0.10 A 409 THR H H 1 8.636 0.01 A 409 THR HA H 1 3.895 0.01 A 409 THR HB H 1 3.940 0.01 A 409 THR HG2% H 1 1.391 0.01 A 409 THR C C 13 178.170 0.10 A 409 THR CA C 13 65.980 0.10 A 409 THR CB C 13 67.050 0.10 A 409 THR CG2 C 13 18.340 0.10 A 409 THR N N 15 115.780 0.10 A 410 LEU H H 1 7.786 0.01 A 410 LEU HA H 1 4.088 0.01 A 410 LEU HB2 H 1 2.222 0.01 A 410 LEU HB3 H 1 1.418 0.01 A 410 LEU HDx% H 1 0.858 0.01 A 410 LEU HDy% H 1 0.953 0.01 A 410 LEU HG H 1 1.697 0.01 A 410 LEU C C 13 178.130 0.10 A 410 LEU CA C 13 58.010 0.10 A 410 LEU CB C 13 39.970 0.10 A 410 LEU CD1 C 13 19.480 0.10 A 410 LEU CD2 C 13 23.390 0.10 A 410 LEU CG C 13 24.270 0.10 A 410 LEU N N 15 123.640 0.10 A 411 GLN H H 1 8.307 0.01 A 411 GLN HA H 1 4.001 0.01 A 411 GLN HBx H 1 2.121 0.01 A 411 GLN HBy H 1 2.197 0.01 A 411 GLN HE21 H 1 6.887 0.01 A 411 GLN HE22 H 1 7.223 0.01 A 411 GLN HGy H 1 2.514 0.01 A 411 GLN HGx H 1 2.461 0.01 A 411 GLN C C 13 179.150 0.10 A 411 GLN CA C 13 58.520 0.10 A 411 GLN CB C 13 27.460 0.10 A 411 GLN CG C 13 31.500 0.10 A 411 GLN N N 15 117.010 0.10 A 412 ILE H H 1 7.338 0.01 A 412 ILE HA H 1 3.732 0.01 A 412 ILE HB H 1 1.867 0.01 A 412 ILE HD1% H 1 0.804 0.01 A 412 ILE HG1y H 1 1.675 0.01 A 412 ILE HG1x H 1 1.168 0.01 A 412 ILE HG2% H 1 0.877 0.01 A 412 ILE C C 13 178.710 0.10 A 412 ILE CA C 13 63.930 0.10 A 412 ILE CB C 13 37.720 0.10 A 412 ILE CD1 C 13 10.350 0.10 A 412 ILE CG1 C 13 26.290 0.10 A 412 ILE CG2 C 13 14.730 0.10 A 412 ILE N N 15 118.550 0.10 A 413 HIS H H 1 7.872 0.01 A 413 HIS HA H 1 4.065 0.01 A 413 HIS HB2 H 1 3.580 0.01 A 413 HIS HB3 H 1 3.099 0.01 A 413 HIS HD2 H 1 6.935 0.01 A 413 HIS HE1 H 1 7.520 0.01 A 413 HIS C C 13 178.790 0.10 A 413 HIS CA C 13 59.690 0.10 A 413 HIS CB C 13 27.260 0.10 A 413 HIS N N 15 118.600 0.10 A 414 VAL H H 1 9.149 0.01 A 414 VAL HA H 1 3.613 0.01 A 414 VAL HB H 1 2.230 0.01 A 414 VAL HGx% H 1 1.154 0.01 A 414 VAL HGy% H 1 1.337 0.01 A 414 VAL C C 13 178.500 0.10 A 414 VAL CA C 13 65.990 0.10 A 414 VAL CB C 13 31.520 0.10 A 414 VAL CG1 C 13 19.020 0.10 A 414 VAL CG2 C 13 19.810 0.10 A 414 VAL N N 15 117.170 0.10 A 415 MET H H 1 7.358 0.01 A 415 MET HA H 1 4.161 0.01 A 415 MET HBx H 1 2.115 0.01 A 415 MET HBy H 1 2.159 0.01 A 415 MET HE% H 1 2.043 0.01 A 415 MET HGy H 1 2.739 0.01 A 415 MET HGx H 1 2.615 0.01 A 415 MET C C 13 177.650 0.10 A 415 MET CA C 13 57.420 0.10 A 415 MET CB C 13 32.110 0.10 A 415 MET CE C 13 14.180 0.10 A 415 MET CG C 13 29.460 0.10 A 415 MET N N 15 116.810 0.10 A 416 GLU H H 1 7.057 0.01 A 416 GLU HA H 1 4.303 0.01 A 416 GLU HBx H 1 1.804 0.01 A 416 GLU HBy H 1 1.950 0.01 A 416 GLU HGx H 1 2.119 0.01 A 416 GLU HGy H 1 2.166 0.01 A 416 GLU C C 13 175.880 0.10 A 416 GLU CA C 13 55.120 0.10 A 416 GLU CB C 13 30.260 0.10 A 416 GLU CG C 13 33.510 0.10 A 416 GLU N N 15 115.370 0.10 A 417 CYS H H 1 7.507 0.01 A 417 CYS HA H 1 3.855 0.01 A 417 CYS HB2 H 1 2.543 0.01 A 417 CYS HB3 H 1 1.984 0.01 A 417 CYS C C 13 176.390 0.10 A 417 CYS CA C 13 60.760 0.10 A 417 CYS CB C 13 28.700 0.10 A 417 CYS N N 15 124.470 0.10 A 418 ILE H H 1 8.101 0.01 A 418 ILE HA H 1 4.234 0.01 A 418 ILE HB H 1 1.973 0.01 A 418 ILE HD1% H 1 0.851 0.01 A 418 ILE HG1x H 1 1.091 0.01 A 418 ILE HG1y H 1 1.364 0.01 A 418 ILE HG2% H 1 0.846 0.01 A 418 ILE C C 13 176.100 0.10 A 418 ILE CA C 13 60.710 0.10 A 418 ILE CB C 13 38.450 0.10 A 418 ILE CD1 C 13 11.310 0.10 A 418 ILE CG1 C 13 24.450 0.10 A 418 ILE CG2 C 13 15.280 0.10 A 418 ILE N N 15 122.450 0.10 A 419 GLU H H 1 7.842 0.01 A 419 GLU HA H 1 3.964 0.01 A 419 GLU HBx H 1 1.745 0.01 A 419 GLU HBy H 1 1.984 0.01 A 419 GLU HG2 H 1 2.178 0.01 A 419 GLU HG3 H 1 2.178 0.01 A 419 GLU C C 13 181.400 0.10 A 419 GLU CA C 13 57.840 0.10 A 419 GLU CB C 13 30.120 0.10 A 419 GLU CG C 13 34.320 0.10 A 419 GLU N N 15 129.230 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 391 SER H A 391 SER HA 1.0 1.8 6.00 2 2 A 391 SER H A 391 SER HBx 1.0 1.8 6.00 3 2 A 391 SER H A 391 SER HBy 1.0 1.8 6.00 4 3 A 391 SER HA A 391 SER HBx 1.0 1.8 3.50 5 3 A 391 SER HA A 391 SER HBy 1.0 1.8 3.50 6 4 A 394 ASP H A 394 ASP HA 1.0 1.8 3.50 7 5 A 394 ASP H A 394 ASP HB2 1.0 1.8 3.50 8 5 A 394 ASP H A 394 ASP HB3 1.0 1.8 3.50 9 6 A 394 ASP HA A 394 ASP HB2 1.0 1.8 3.50 10 6 A 394 ASP HA A 394 ASP HB3 1.0 1.8 3.50 11 7 A 395 PHE H A 395 PHE HA 1.0 1.8 4.75 12 8 A 395 PHE H A 395 PHE HB3 1.0 1.8 4.75 13 9 A 395 PHE H A 395 PHE HB2 1.0 1.8 3.50 14 10 A 395 PHE H A 395 PHE HD% 1.0 1.8 4.75 15 11 A 395 PHE HA A 395 PHE HB3 1.0 1.8 3.50 16 12 A 395 PHE HA A 395 PHE HB2 1.0 1.8 4.75 17 13 A 395 PHE HA A 395 PHE HD% 1.0 1.8 3.50 18 14 A 395 PHE HB3 A 395 PHE HD% 1.0 1.8 3.50 19 15 A 395 PHE HB3 A 395 PHE HE% 1.0 1.8 6.00 20 16 A 395 PHE HB2 A 395 PHE HD% 1.0 1.8 3.50 21 17 A 395 PHE HB2 A 395 PHE HE% 1.0 1.8 6.00 22 18 A 396 CYS H A 396 CYS HA 1.0 1.8 3.50 23 19 A 396 CYS H A 396 CYS HBx 1.0 1.8 3.50 24 19 A 396 CYS H A 396 CYS HBy 1.0 1.8 3.50 25 20 A 396 CYS HA A 396 CYS HBx 1.0 1.8 3.50 26 20 A 396 CYS HA A 396 CYS HBy 1.0 1.8 3.50 27 21 A 397 CYS H A 397 CYS HA 1.0 1.8 4.75 28 22 A 397 CYS H A 397 CYS HB3 1.0 1.8 3.50 29 23 A 397 CYS H A 397 CYS HB2 1.0 1.8 3.50 30 24 A 397 CYS HA A 397 CYS HB3 1.0 1.8 4.75 31 25 A 397 CYS HA A 397 CYS HB2 1.0 1.8 3.50 32 26 A 399 LYS H A 399 LYS HA 1.0 1.8 4.75 33 27 A 399 LYS H A 399 LYS HB3 1.0 1.8 3.50 34 28 A 399 LYS H A 399 LYS HB2 1.0 1.8 3.50 35 29 A 399 LYS H A 399 LYS HGy 1.0 1.8 4.75 36 29 A 399 LYS H A 399 LYS HGx 1.0 1.8 4.75 37 30 A 399 LYS H A 399 LYS HDy 1.0 1.8 6.00 38 30 A 399 LYS H A 399 LYS HDx 1.0 1.8 6.00 39 31 A 399 LYS HA A 399 LYS HB3 1.0 1.8 3.50 40 32 A 399 LYS HA A 399 LYS HB2 1.0 1.8 3.50 41 33 A 399 LYS HA A 399 LYS HGy 1.0 1.8 3.50 42 33 A 399 LYS HA A 399 LYS HGx 1.0 1.8 3.50 43 34 A 399 LYS HA A 399 LYS HDy 1.0 1.8 4.75 44 34 A 399 LYS HA A 399 LYS HDx 1.0 1.8 4.75 45 35 A 399 LYS HB3 A 399 LYS HGy 1.0 1.8 3.50 46 35 A 399 LYS HB3 A 399 LYS HGx 1.0 1.8 3.50 47 36 A 399 LYS HB3 A 399 LYS HDy 1.0 1.8 3.50 48 36 A 399 LYS HB3 A 399 LYS HDx 1.0 1.8 3.50 49 37 A 399 LYS HB3 A 399 LYS HEy 1.0 1.8 4.75 50 37 A 399 LYS HB3 A 399 LYS HEx 1.0 1.8 4.75 51 38 A 399 LYS HB2 A 399 LYS HGy 1.0 1.8 3.50 52 38 A 399 LYS HB2 A 399 LYS HGx 1.0 1.8 3.50 53 39 A 399 LYS HB2 A 399 LYS HDy 1.0 1.8 3.50 54 39 A 399 LYS HB2 A 399 LYS HDx 1.0 1.8 3.50 55 40 A 399 LYS HB2 A 399 LYS HEy 1.0 1.8 4.75 56 40 A 399 LYS HB2 A 399 LYS HEx 1.0 1.8 4.75 57 41 A 399 LYS HDx A 399 LYS HGy 1.0 1.8 3.50 58 41 A 399 LYS HDy A 399 LYS HGy 1.0 1.8 3.50 59 41 A 399 LYS HGx A 399 LYS HDy 1.0 1.8 3.50 60 41 A 399 LYS HGx A 399 LYS HDx 1.0 1.8 3.50 61 42 A 399 LYS HEy A 399 LYS HGy 1.0 1.8 4.75 62 42 A 399 LYS HEx A 399 LYS HGy 1.0 1.8 4.75 63 42 A 399 LYS HGx A 399 LYS HEy 1.0 1.8 4.75 64 42 A 399 LYS HGx A 399 LYS HEx 1.0 1.8 4.75 65 43 A 399 LYS HDy A 399 LYS HEy 1.0 1.8 3.50 66 43 A 399 LYS HDx A 399 LYS HEy 1.0 1.8 3.50 67 43 A 399 LYS HEx A 399 LYS HDy 1.0 1.8 3.50 68 43 A 399 LYS HDx A 399 LYS HEx 1.0 1.8 3.50 69 44 A 400 CYS H A 400 CYS HA 1.0 1.8 4.75 70 45 A 400 CYS H A 400 CYS HB3 1.0 1.8 3.50 71 46 A 400 CYS H A 400 CYS HB2 1.0 1.8 4.75 72 47 A 400 CYS HA A 400 CYS HB3 1.0 1.8 2.80 73 48 A 400 CYS HA A 400 CYS HB2 1.0 1.8 3.50 74 49 A 401 GLN H A 401 GLN HA 1.0 1.8 2.80 75 50 A 401 GLN H A 401 GLN HE22 1.0 1.8 6.00 76 51 A 401 GLN H A 401 GLN HBx 1.0 1.8 4.75 77 51 A 401 GLN H A 401 GLN HBy 1.0 1.8 4.75 78 52 A 401 GLN H A 401 GLN HG2 1.0 1.8 3.50 79 52 A 401 GLN H A 401 GLN HG3 1.0 1.8 3.50 80 53 A 401 GLN HA A 401 GLN HE22 1.0 1.8 6.00 81 54 A 401 GLN HA A 401 GLN HBx 1.0 1.8 4.75 82 54 A 401 GLN HA A 401 GLN HBy 1.0 1.8 4.75 83 55 A 401 GLN HA A 401 GLN HG2 1.0 1.8 4.75 84 55 A 401 GLN HA A 401 GLN HG3 1.0 1.8 4.75 85 56 A 401 GLN HE21 A 401 GLN HG2 1.0 1.8 4.75 86 56 A 401 GLN HG3 A 401 GLN HE21 1.0 1.8 4.75 87 57 A 401 GLN HE22 A 401 GLN HG2 1.0 1.8 3.50 88 57 A 401 GLN HE22 A 401 GLN HG3 1.0 1.8 3.50 89 58 A 401 GLN HBx A 401 GLN HG2 1.0 1.8 3.50 90 58 A 401 GLN HBy A 401 GLN HG2 1.0 1.8 3.50 91 58 A 401 GLN HG3 A 401 GLN HBx 1.0 1.8 3.50 92 58 A 401 GLN HBy A 401 GLN HG3 1.0 1.8 3.50 93 59 A 402 TYR H A 402 TYR HA 1.0 1.8 3.50 94 60 A 402 TYR H A 402 TYR HB3 1.0 1.8 3.50 95 61 A 402 TYR H A 402 TYR HB2 1.0 1.8 3.50 96 62 A 402 TYR H A 402 TYR HD% 1.0 1.8 6.00 97 63 A 402 TYR HA A 402 TYR HB3 1.0 1.8 4.75 98 64 A 402 TYR HA A 402 TYR HB2 1.0 1.8 3.50 99 65 A 402 TYR HA A 402 TYR HD% 1.0 1.8 3.50 100 66 A 402 TYR HA A 402 TYR HE% 1.0 1.8 6.00 101 67 A 402 TYR HB3 A 402 TYR HD% 1.0 1.8 3.50 102 68 A 402 TYR HB3 A 402 TYR HE% 1.0 1.8 6.00 103 69 A 402 TYR HB2 A 402 TYR HD% 1.0 1.8 3.50 104 70 A 402 TYR HB2 A 402 TYR HE% 1.0 1.8 6.00 105 71 A 403 GLN H A 403 GLN HA 1.0 1.8 3.50 106 72 A 403 GLN H A 403 GLN HBy 1.0 1.8 3.50 107 72 A 403 GLN H A 403 GLN HBx 1.0 1.8 3.50 108 73 A 403 GLN H A 403 GLN HGx 1.0 1.8 4.75 109 73 A 403 GLN H A 403 GLN HGy 1.0 1.8 4.75 110 74 A 403 GLN HA A 403 GLN HE22 1.0 1.8 6.00 111 75 A 403 GLN HA A 403 GLN HBy 1.0 1.8 3.50 112 75 A 403 GLN HA A 403 GLN HBx 1.0 1.8 3.50 113 76 A 403 GLN HA A 403 GLN HGx 1.0 1.8 4.75 114 76 A 403 GLN HA A 403 GLN HGy 1.0 1.8 4.75 115 77 A 403 GLN HE21 A 403 GLN HBy 1.0 1.8 6.00 116 77 A 403 GLN HBx A 403 GLN HE21 1.0 1.8 6.00 117 78 A 403 GLN HE21 A 403 GLN HGx 1.0 1.8 4.75 118 78 A 403 GLN HGy A 403 GLN HE21 1.0 1.8 4.75 119 79 A 403 GLN HE22 A 403 GLN HBy 1.0 1.8 6.00 120 79 A 403 GLN HBx A 403 GLN HE22 1.0 1.8 6.00 121 80 A 403 GLN HE22 A 403 GLN HGx 1.0 1.8 4.75 122 80 A 403 GLN HGy A 403 GLN HE22 1.0 1.8 4.75 123 81 A 403 GLN HBx A 403 GLN HGx 1.0 1.8 3.50 124 81 A 403 GLN HBy A 403 GLN HGx 1.0 1.8 3.50 125 81 A 403 GLN HGy A 403 GLN HBy 1.0 1.8 3.50 126 81 A 403 GLN HBx A 403 GLN HGy 1.0 1.8 3.50 127 82 A 404 ALA H A 404 ALA HA 1.0 1.8 3.50 128 83 A 404 ALA H A 404 ALA HB% 1.0 1.8 3.50 129 84 A 404 ALA HA A 404 ALA HB% 1.0 1.8 3.50 130 85 A 406 ASP H A 406 ASP HA 1.0 1.8 3.50 131 86 A 406 ASP H A 406 ASP HBx 1.0 1.8 3.50 132 86 A 406 ASP H A 406 ASP HBy 1.0 1.8 3.50 133 87 A 406 ASP HA A 406 ASP HBx 1.0 1.8 3.50 134 87 A 406 ASP HA A 406 ASP HBy 1.0 1.8 3.50 135 88 A 407 MET H A 407 MET HA 1.0 1.8 3.50 136 89 A 407 MET H A 407 MET HE% 1.0 1.8 6.00 137 90 A 407 MET H A 407 MET HB2 1.0 1.8 3.50 138 90 A 407 MET H A 407 MET HB3 1.0 1.8 3.50 139 91 A 407 MET H A 407 MET HG2 1.0 1.8 4.75 140 91 A 407 MET H A 407 MET HG3 1.0 1.8 4.75 141 92 A 407 MET HA A 407 MET HE% 1.0 1.8 6.00 142 93 A 407 MET HA A 407 MET HB2 1.0 1.8 3.50 143 93 A 407 MET HA A 407 MET HB3 1.0 1.8 3.50 144 94 A 407 MET HA A 407 MET HG2 1.0 1.8 3.50 145 94 A 407 MET HA A 407 MET HG3 1.0 1.8 3.50 146 95 A 407 MET HE% A 407 MET HB2 1.0 1.8 3.50 147 95 A 407 MET HE% A 407 MET HB3 1.0 1.8 3.50 148 96 A 407 MET HE% A 407 MET HG2 1.0 1.8 4.75 149 96 A 407 MET HE% A 407 MET HG3 1.0 1.8 4.75 150 97 A 407 MET HB2 A 407 MET HG2 1.0 1.8 3.50 151 97 A 407 MET HB3 A 407 MET HG2 1.0 1.8 3.50 152 97 A 407 MET HG3 A 407 MET HB2 1.0 1.8 3.50 153 97 A 407 MET HB3 A 407 MET HG3 1.0 1.8 3.50 154 98 A 408 ASP H A 408 ASP HA 1.0 1.8 3.50 155 99 A 408 ASP H A 408 ASP HB2 1.0 1.8 3.50 156 99 A 408 ASP H A 408 ASP HB3 1.0 1.8 3.50 157 100 A 408 ASP HA A 408 ASP HB2 1.0 1.8 3.50 158 100 A 408 ASP HA A 408 ASP HB3 1.0 1.8 3.50 159 101 A 409 THR H A 409 THR HA 1.0 1.8 3.50 160 102 A 409 THR H A 409 THR HB 1.0 1.8 3.50 161 103 A 409 THR H A 409 THR HG2% 1.0 1.8 6.00 162 104 A 409 THR HA A 409 THR HB 1.0 1.8 3.50 163 105 A 409 THR HA A 409 THR HG2% 1.0 1.8 3.50 164 106 A 409 THR HB A 409 THR HG2% 1.0 1.8 3.50 165 107 A 410 LEU H A 410 LEU HA 1.0 1.8 3.50 166 108 A 410 LEU H A 410 LEU HB3 1.0 1.8 3.50 167 109 A 410 LEU H A 410 LEU HB2 1.0 1.8 2.80 168 110 A 410 LEU H A 410 LEU HG 1.0 1.8 6.00 169 111 A 410 LEU H A 410 LEU HDx% 1.0 1.8 6.00 170 112 A 410 LEU H A 410 LEU HDy% 1.0 1.8 6.00 171 113 A 410 LEU HA A 410 LEU HB3 1.0 1.8 4.75 172 114 A 410 LEU HA A 410 LEU HB2 1.0 1.8 2.80 173 115 A 410 LEU HA A 410 LEU HG 1.0 1.8 3.50 174 116 A 410 LEU HA A 410 LEU HDx% 1.0 1.8 3.50 175 117 A 410 LEU HA A 410 LEU HDy% 1.0 1.8 6.00 176 118 A 410 LEU HB3 A 410 LEU HG 1.0 1.8 3.50 177 119 A 410 LEU HB3 A 410 LEU HDx% 1.0 1.8 4.75 178 120 A 410 LEU HB3 A 410 LEU HDy% 1.0 1.8 4.75 179 121 A 410 LEU HB2 A 410 LEU HG 1.0 1.8 4.75 180 122 A 410 LEU HB2 A 410 LEU HDx% 1.0 1.8 3.50 181 123 A 410 LEU HB2 A 410 LEU HDy% 1.0 1.8 3.50 182 124 A 410 LEU HG A 410 LEU HDx% 1.0 1.8 4.75 183 125 A 410 LEU HG A 410 LEU HDy% 1.0 1.8 3.50 184 126 A 411 GLN H A 411 GLN HA 1.0 1.8 3.50 185 127 A 411 GLN H A 411 GLN HBx 1.0 1.8 3.50 186 127 A 411 GLN H A 411 GLN HBy 1.0 1.8 3.50 187 128 A 411 GLN H A 411 GLN HGy 1.0 1.8 4.75 188 128 A 411 GLN H A 411 GLN HGx 1.0 1.8 4.75 189 129 A 411 GLN HA A 411 GLN HBx 1.0 1.8 3.50 190 129 A 411 GLN HA A 411 GLN HBy 1.0 1.8 3.50 191 130 A 411 GLN HA A 411 GLN HGy 1.0 1.8 3.50 192 130 A 411 GLN HA A 411 GLN HGx 1.0 1.8 3.50 193 131 A 411 GLN HE21 A 411 GLN HBx 1.0 1.8 6.00 194 131 A 411 GLN HBy A 411 GLN HE21 1.0 1.8 6.00 195 132 A 411 GLN HE21 A 411 GLN HGy 1.0 1.8 6.00 196 132 A 411 GLN HGx A 411 GLN HE21 1.0 1.8 6.00 197 133 A 411 GLN HE22 A 411 GLN HBx 1.0 1.8 4.75 198 133 A 411 GLN HBy A 411 GLN HE22 1.0 1.8 4.75 199 134 A 411 GLN HE22 A 411 GLN HGy 1.0 1.8 3.50 200 134 A 411 GLN HGx A 411 GLN HE22 1.0 1.8 3.50 201 135 A 411 GLN HBy A 411 GLN HGy 1.0 1.8 3.50 202 135 A 411 GLN HBx A 411 GLN HGy 1.0 1.8 3.50 203 135 A 411 GLN HGx A 411 GLN HBx 1.0 1.8 3.50 204 135 A 411 GLN HBy A 411 GLN HGx 1.0 1.8 3.50 205 136 A 412 ILE H A 412 ILE HA 1.0 1.8 3.50 206 137 A 412 ILE H A 412 ILE HB 1.0 1.8 2.80 207 138 A 412 ILE H A 412 ILE HG2% 1.0 1.8 6.00 208 139 A 412 ILE H A 412 ILE HD1% 1.0 1.8 6.00 209 140 A 412 ILE H A 412 ILE HG1y 1.0 1.8 3.50 210 140 A 412 ILE H A 412 ILE HG1x 1.0 1.8 3.50 211 141 A 412 ILE HA A 412 ILE HB 1.0 1.8 3.50 212 142 A 412 ILE HA A 412 ILE HG2% 1.0 1.8 3.50 213 143 A 412 ILE HA A 412 ILE HD1% 1.0 1.8 4.75 214 144 A 412 ILE HA A 412 ILE HG1y 1.0 1.8 3.50 215 144 A 412 ILE HA A 412 ILE HG1x 1.0 1.8 3.50 216 145 A 412 ILE HB A 412 ILE HG2% 1.0 1.8 3.50 217 146 A 412 ILE HB A 412 ILE HD1% 1.0 1.8 4.75 218 147 A 412 ILE HB A 412 ILE HG1y 1.0 1.8 3.50 219 147 A 412 ILE HB A 412 ILE HG1x 1.0 1.8 3.50 220 148 A 412 ILE HG2% A 412 ILE HD1% 1.0 1.8 4.75 221 149 A 412 ILE HG2% A 412 ILE HG1y 1.0 1.8 3.50 222 149 A 412 ILE HG2% A 412 ILE HG1x 1.0 1.8 3.50 223 150 A 412 ILE HD1% A 412 ILE HG1y 1.0 1.8 4.75 224 150 A 412 ILE HD1% A 412 ILE HG1x 1.0 1.8 4.75 225 151 A 413 HIS H A 413 HIS HA 1.0 1.8 3.50 226 152 A 413 HIS H A 413 HIS HB3 1.0 1.8 2.80 227 153 A 413 HIS H A 413 HIS HB2 1.0 1.8 3.50 228 154 A 413 HIS H A 413 HIS HD2 1.0 1.8 6.00 229 155 A 413 HIS HA A 413 HIS HB3 1.0 1.8 4.75 230 156 A 413 HIS HA A 413 HIS HB2 1.0 1.8 2.80 231 157 A 413 HIS HA A 413 HIS HD2 1.0 1.8 4.75 232 158 A 413 HIS HB3 A 413 HIS HD2 1.0 1.8 3.50 233 159 A 413 HIS HB2 A 413 HIS HD2 1.0 1.8 4.75 234 160 A 414 VAL H A 414 VAL HA 1.0 1.8 3.50 235 161 A 414 VAL H A 414 VAL HB 1.0 1.8 4.75 236 162 A 414 VAL H A 414 VAL HGx% 1.0 1.8 4.75 237 163 A 414 VAL H A 414 VAL HGy% 1.0 1.8 3.50 238 164 A 414 VAL HA A 414 VAL HB 1.0 1.8 2.80 239 165 A 414 VAL HA A 414 VAL HGx% 1.0 1.8 3.50 240 166 A 414 VAL HA A 414 VAL HGy% 1.0 1.8 4.75 241 167 A 414 VAL HB A 414 VAL HGx% 1.0 1.8 3.50 242 168 A 414 VAL HB A 414 VAL HGy% 1.0 1.8 4.75 243 169 A 415 MET H A 415 MET HA 1.0 1.8 3.50 244 170 A 415 MET H A 415 MET HE% 1.0 1.8 6.00 245 171 A 415 MET H A 415 MET HBx 1.0 1.8 3.50 246 171 A 415 MET H A 415 MET HBy 1.0 1.8 3.50 247 172 A 415 MET H A 415 MET HGy 1.0 1.8 3.50 248 172 A 415 MET H A 415 MET HGx 1.0 1.8 3.50 249 173 A 415 MET HA A 415 MET HE% 1.0 1.8 4.75 250 174 A 415 MET HA A 415 MET HBx 1.0 1.8 3.50 251 174 A 415 MET HA A 415 MET HBy 1.0 1.8 3.50 252 175 A 415 MET HA A 415 MET HGy 1.0 1.8 3.50 253 175 A 415 MET HA A 415 MET HGx 1.0 1.8 3.50 254 176 A 415 MET HE% A 415 MET HBx 1.0 1.8 3.50 255 176 A 415 MET HE% A 415 MET HBy 1.0 1.8 3.50 256 177 A 415 MET HE% A 415 MET HGy 1.0 1.8 6.00 257 177 A 415 MET HE% A 415 MET HGx 1.0 1.8 6.00 258 178 A 415 MET HBx A 415 MET HGy 1.0 1.8 3.50 259 178 A 415 MET HBy A 415 MET HGy 1.0 1.8 3.50 260 178 A 415 MET HGx A 415 MET HBx 1.0 1.8 3.50 261 178 A 415 MET HBy A 415 MET HGx 1.0 1.8 3.50 262 179 A 416 GLU H A 416 GLU HA 1.0 1.8 3.50 263 180 A 416 GLU H A 416 GLU HBx 1.0 1.8 3.50 264 180 A 416 GLU H A 416 GLU HBy 1.0 1.8 3.50 265 181 A 416 GLU H A 416 GLU HGx 1.0 1.8 4.75 266 181 A 416 GLU H A 416 GLU HGy 1.0 1.8 4.75 267 182 A 416 GLU HA A 416 GLU HBx 1.0 1.8 3.50 268 182 A 416 GLU HA A 416 GLU HBy 1.0 1.8 3.50 269 183 A 416 GLU HA A 416 GLU HGx 1.0 1.8 3.50 270 183 A 416 GLU HA A 416 GLU HGy 1.0 1.8 3.50 271 184 A 416 GLU HBx A 416 GLU HGx 1.0 1.8 3.50 272 184 A 416 GLU HBy A 416 GLU HGx 1.0 1.8 3.50 273 184 A 416 GLU HGy A 416 GLU HBx 1.0 1.8 3.50 274 184 A 416 GLU HBy A 416 GLU HGy 1.0 1.8 3.50 275 185 A 417 CYS H A 417 CYS HA 1.0 1.8 3.50 276 186 A 417 CYS H A 417 CYS HB3 1.0 1.8 2.80 277 187 A 417 CYS H A 417 CYS HB2 1.0 1.8 2.80 278 188 A 417 CYS HA A 417 CYS HB3 1.0 1.8 4.75 279 189 A 417 CYS HA A 417 CYS HB2 1.0 1.8 2.80 280 190 A 418 ILE H A 418 ILE HA 1.0 1.8 3.50 281 191 A 418 ILE H A 418 ILE HB 1.0 1.8 3.50 282 192 A 418 ILE H A 418 ILE HG2% 1.0 1.8 4.75 283 193 A 418 ILE H A 418 ILE HD1% 1.0 1.8 4.75 284 194 A 418 ILE H A 418 ILE HG1x 1.0 1.8 3.50 285 194 A 418 ILE H A 418 ILE HG1y 1.0 1.8 3.50 286 195 A 418 ILE HA A 418 ILE HB 1.0 1.8 3.50 287 196 A 418 ILE HA A 418 ILE HG2% 1.0 1.8 3.50 288 197 A 418 ILE HA A 418 ILE HD1% 1.0 1.8 4.75 289 198 A 418 ILE HA A 418 ILE HG1x 1.0 1.8 4.75 290 198 A 418 ILE HA A 418 ILE HG1y 1.0 1.8 4.75 291 199 A 418 ILE HB A 418 ILE HG2% 1.0 1.8 3.50 292 200 A 418 ILE HB A 418 ILE HD1% 1.0 1.8 3.50 293 201 A 418 ILE HB A 418 ILE HG1x 1.0 1.8 3.50 294 201 A 418 ILE HB A 418 ILE HG1y 1.0 1.8 3.50 295 202 A 418 ILE HG2% A 418 ILE HD1% 1.0 1.8 3.50 296 203 A 418 ILE HG2% A 418 ILE HG1x 1.0 1.8 3.50 297 203 A 418 ILE HG2% A 418 ILE HG1y 1.0 1.8 3.50 298 204 A 418 ILE HD1% A 418 ILE HG1x 1.0 1.8 3.50 299 204 A 418 ILE HD1% A 418 ILE HG1y 1.0 1.8 3.50 300 205 A 419 GLU H A 419 GLU HA 1.0 1.8 3.50 301 206 A 419 GLU H A 419 GLU HBx 1.0 1.8 3.50 302 206 A 419 GLU H A 419 GLU HBy 1.0 1.8 3.50 303 207 A 419 GLU H A 419 GLU HG2 1.0 1.8 3.50 304 207 A 419 GLU H A 419 GLU HG3 1.0 1.8 3.50 305 208 A 419 GLU HA A 419 GLU HBx 1.0 1.8 3.50 306 208 A 419 GLU HA A 419 GLU HBy 1.0 1.8 3.50 307 209 A 419 GLU HA A 419 GLU HG2 1.0 1.8 3.50 308 209 A 419 GLU HA A 419 GLU HG3 1.0 1.8 3.50 309 210 A 419 GLU HBx A 419 GLU HG2 1.0 1.8 3.50 310 210 A 419 GLU HBy A 419 GLU HG2 1.0 1.8 3.50 311 210 A 419 GLU HG3 A 419 GLU HBx 1.0 1.8 3.50 312 210 A 419 GLU HBy A 419 GLU HG3 1.0 1.8 3.50 313 211 A 391 SER HA A 392 PRO HDy 1.0 1.8 3.50 314 211 A 391 SER HA A 392 PRO HDx 1.0 1.8 3.50 315 212 A 392 PRO HA A 393 PRO HDy 1.0 1.8 2.80 316 212 A 392 PRO HA A 393 PRO HDx 1.0 1.8 2.80 317 213 A 392 PRO HBx A 393 PRO HDy 1.0 1.8 3.50 318 213 A 392 PRO HBy A 393 PRO HDy 1.0 1.8 3.50 319 213 A 393 PRO HDx A 392 PRO HBx 1.0 1.8 3.50 320 213 A 393 PRO HDx A 392 PRO HBy 1.0 1.8 3.50 321 214 A 394 ASP H A 393 PRO HA 1.0 1.8 2.80 322 215 A 394 ASP H A 393 PRO HBy 1.0 1.8 4.75 323 215 A 394 ASP H A 393 PRO HBx 1.0 1.8 4.75 324 216 A 394 ASP H A 393 PRO HDy 1.0 1.8 6.00 325 216 A 394 ASP H A 393 PRO HDx 1.0 1.8 6.00 326 217 A 394 ASP H A 395 PHE H 1.0 1.8 3.50 327 218 A 394 ASP HA A 395 PHE H 1.0 1.8 3.50 328 219 A 394 ASP HA A 395 PHE HD% 1.0 1.8 6.00 329 220 A 395 PHE H A 394 ASP HB2 1.0 1.8 3.50 330 220 A 394 ASP HB3 A 395 PHE H 1.0 1.8 3.50 331 221 A 395 PHE HD% A 394 ASP HB2 1.0 1.8 4.75 332 221 A 394 ASP HB3 A 395 PHE HD% 1.0 1.8 4.75 333 222 A 395 PHE HE% A 394 ASP HB2 1.0 1.8 4.75 334 222 A 394 ASP HB3 A 395 PHE HE% 1.0 1.8 4.75 335 223 A 395 PHE H A 396 CYS H 1.0 1.8 3.50 336 224 A 395 PHE HA A 396 CYS H 1.0 1.8 3.50 337 225 A 395 PHE HB3 A 396 CYS H 1.0 1.8 6.00 338 226 A 395 PHE HB2 A 396 CYS H 1.0 1.8 6.00 339 227 A 395 PHE HD% A 396 CYS H 1.0 1.8 6.00 340 228 A 396 CYS H A 397 CYS H 1.0 1.8 6.00 341 229 A 396 CYS HA A 397 CYS H 1.0 1.8 3.50 342 230 A 396 CYS HA A 397 CYS HB3 1.0 1.8 4.75 343 231 A 396 CYS HA A 397 CYS HB2 1.0 1.8 6.00 344 232 A 397 CYS H A 396 CYS HBx 1.0 1.8 4.75 345 232 A 396 CYS HBy A 397 CYS H 1.0 1.8 4.75 346 233 A 397 CYS HA A 398 PRO HDx 1.0 1.8 2.80 347 233 A 397 CYS HA A 398 PRO HDy 1.0 1.8 2.80 348 234 A 397 CYS HB3 A 398 PRO HDx 1.0 1.8 6.00 349 234 A 397 CYS HB3 A 398 PRO HDy 1.0 1.8 6.00 350 235 A 397 CYS HB2 A 398 PRO HDx 1.0 1.8 6.00 351 235 A 397 CYS HB2 A 398 PRO HDy 1.0 1.8 6.00 352 236 A 399 LYS H A 398 PRO HA 1.0 1.8 4.75 353 237 A 399 LYS H A 398 PRO HBx 1.0 1.8 6.00 354 237 A 399 LYS H A 398 PRO HBy 1.0 1.8 6.00 355 238 A 399 LYS H A 398 PRO HGx 1.0 1.8 6.00 356 238 A 399 LYS H A 398 PRO HGy 1.0 1.8 6.00 357 239 A 399 LYS H A 398 PRO HDx 1.0 1.8 4.75 358 239 A 399 LYS H A 398 PRO HDy 1.0 1.8 4.75 359 240 A 399 LYS H A 400 CYS H 1.0 1.8 3.50 360 241 A 399 LYS H A 400 CYS HA 1.0 1.8 6.00 361 242 A 399 LYS HA A 400 CYS H 1.0 1.8 4.75 362 243 A 399 LYS HB3 A 400 CYS H 1.0 1.8 3.50 363 244 A 399 LYS HB3 A 400 CYS HA 1.0 1.8 6.00 364 245 A 399 LYS HB2 A 400 CYS H 1.0 1.8 3.50 365 246 A 400 CYS H A 399 LYS HGy 1.0 1.8 4.75 366 246 A 399 LYS HGx A 400 CYS H 1.0 1.8 4.75 367 247 A 400 CYS H A 401 GLN H 1.0 1.8 2.80 368 248 A 400 CYS H A 401 GLN HA 1.0 1.8 4.75 369 249 A 400 CYS H A 401 GLN HG2 1.0 1.8 6.00 370 249 A 400 CYS H A 401 GLN HG3 1.0 1.8 6.00 371 250 A 400 CYS HA A 401 GLN H 1.0 1.8 4.75 372 251 A 400 CYS HA A 401 GLN HE21 1.0 1.8 6.00 373 252 A 400 CYS HA A 401 GLN HG2 1.0 1.8 6.00 374 252 A 400 CYS HA A 401 GLN HG3 1.0 1.8 6.00 375 253 A 400 CYS HB3 A 401 GLN H 1.0 1.8 4.75 376 254 A 400 CYS HB2 A 401 GLN H 1.0 1.8 4.75 377 255 A 401 GLN H A 402 TYR H 1.0 1.8 4.75 378 256 A 401 GLN HA A 402 TYR H 1.0 1.8 4.75 379 257 A 402 TYR H A 401 GLN HG2 1.0 1.8 6.00 380 257 A 401 GLN HG3 A 402 TYR H 1.0 1.8 6.00 381 258 A 402 TYR H A 403 GLN H 1.0 1.8 6.00 382 259 A 402 TYR HA A 403 GLN H 1.0 1.8 2.80 383 260 A 402 TYR HB3 A 403 GLN H 1.0 1.8 4.75 384 261 A 402 TYR HB2 A 403 GLN H 1.0 1.8 4.75 385 262 A 402 TYR HD% A 403 GLN H 1.0 1.8 3.50 386 263 A 402 TYR HE% A 403 GLN H 1.0 1.8 6.00 387 264 A 403 GLN H A 404 ALA H 1.0 1.8 6.00 388 265 A 403 GLN HA A 404 ALA H 1.0 1.8 2.80 389 266 A 404 ALA H A 403 GLN HBy 1.0 1.8 4.75 390 266 A 403 GLN HBx A 404 ALA H 1.0 1.8 4.75 391 267 A 404 ALA H A 403 GLN HGx 1.0 1.8 4.75 392 267 A 403 GLN HGy A 404 ALA H 1.0 1.8 4.75 393 268 A 404 ALA H A 405 PRO HDx 1.0 1.8 6.00 394 268 A 404 ALA H A 405 PRO HDy 1.0 1.8 6.00 395 269 A 404 ALA HA A 405 PRO HDx 1.0 1.8 2.80 396 269 A 404 ALA HA A 405 PRO HDy 1.0 1.8 2.80 397 270 A 404 ALA HB% A 405 PRO HBy 1.0 1.8 6.00 398 270 A 404 ALA HB% A 405 PRO HBx 1.0 1.8 6.00 399 271 A 404 ALA HB% A 405 PRO HGy 1.0 1.8 6.00 400 271 A 404 ALA HB% A 405 PRO HGx 1.0 1.8 6.00 401 272 A 404 ALA HB% A 405 PRO HDx 1.0 1.8 3.50 402 272 A 404 ALA HB% A 405 PRO HDy 1.0 1.8 3.50 403 273 A 406 ASP H A 405 PRO HA 1.0 1.8 3.50 404 274 A 406 ASP H A 405 PRO HBy 1.0 1.8 3.50 405 274 A 406 ASP H A 405 PRO HBx 1.0 1.8 3.50 406 275 A 406 ASP H A 405 PRO HGy 1.0 1.8 3.50 407 275 A 406 ASP H A 405 PRO HGx 1.0 1.8 3.50 408 276 A 406 ASP H A 405 PRO HDx 1.0 1.8 4.75 409 276 A 406 ASP H A 405 PRO HDy 1.0 1.8 4.75 410 277 A 406 ASP H A 407 MET H 1.0 1.8 6.00 411 278 A 406 ASP H A 407 MET HA 1.0 1.8 4.75 412 279 A 406 ASP HA A 407 MET H 1.0 1.8 2.80 413 280 A 407 MET H A 406 ASP HBx 1.0 1.8 3.50 414 280 A 406 ASP HBy A 407 MET H 1.0 1.8 3.50 415 281 A 407 MET H A 408 ASP H 1.0 1.8 3.50 416 282 A 407 MET HA A 408 ASP H 1.0 1.8 4.75 417 283 A 408 ASP H A 407 MET HB2 1.0 1.8 3.50 418 283 A 407 MET HB3 A 408 ASP H 1.0 1.8 3.50 419 284 A 408 ASP H A 409 THR H 1.0 1.8 3.50 420 285 A 408 ASP H A 409 THR HB 1.0 1.8 6.00 421 286 A 408 ASP HA A 409 THR H 1.0 1.8 4.75 422 287 A 409 THR H A 408 ASP HB2 1.0 1.8 3.50 423 287 A 408 ASP HB3 A 409 THR H 1.0 1.8 3.50 424 288 A 409 THR H A 410 LEU H 1.0 1.8 3.50 425 289 A 409 THR H A 410 LEU HB3 1.0 1.8 6.00 426 290 A 409 THR HA A 410 LEU H 1.0 1.8 3.50 427 291 A 409 THR HB A 410 LEU H 1.0 1.8 3.50 428 292 A 410 LEU H A 411 GLN H 1.0 1.8 3.50 429 293 A 410 LEU H A 411 GLN HA 1.0 1.8 6.00 430 294 A 410 LEU HA A 411 GLN H 1.0 1.8 4.75 431 295 A 410 LEU HB3 A 411 GLN H 1.0 1.8 2.80 432 296 A 410 LEU HB2 A 411 GLN H 1.0 1.8 4.75 433 297 A 410 LEU HG A 411 GLN H 1.0 1.8 4.75 434 298 A 410 LEU HG A 411 GLN HA 1.0 1.8 4.75 435 299 A 410 LEU HDx% A 411 GLN H 1.0 1.8 6.00 436 300 A 410 LEU HDy% A 411 GLN H 1.0 1.8 6.00 437 301 A 410 LEU HDy% A 411 GLN HA 1.0 1.8 6.00 438 302 A 411 GLN H A 412 ILE H 1.0 1.8 3.50 439 303 A 411 GLN H A 412 ILE HB 1.0 1.8 6.00 440 304 A 411 GLN HA A 412 ILE H 1.0 1.8 3.50 441 305 A 412 ILE H A 411 GLN HBx 1.0 1.8 3.50 442 305 A 411 GLN HBy A 412 ILE H 1.0 1.8 3.50 443 306 A 412 ILE H A 411 GLN HGy 1.0 1.8 6.00 444 306 A 411 GLN HGx A 412 ILE H 1.0 1.8 6.00 445 307 A 412 ILE H A 413 HIS H 1.0 1.8 3.50 446 308 A 412 ILE H A 413 HIS HA 1.0 1.8 6.00 447 309 A 412 ILE H A 413 HIS HB3 1.0 1.8 4.75 448 310 A 412 ILE HA A 413 HIS H 1.0 1.8 4.75 449 311 A 412 ILE HB A 413 HIS H 1.0 1.8 3.50 450 312 A 412 ILE HG2% A 413 HIS H 1.0 1.8 6.00 451 313 A 412 ILE HD1% A 413 HIS H 1.0 1.8 6.00 452 314 A 413 HIS H A 412 ILE HG1y 1.0 1.8 6.00 453 314 A 412 ILE HG1x A 413 HIS H 1.0 1.8 6.00 454 315 A 413 HIS H A 414 VAL H 1.0 1.8 3.50 455 316 A 413 HIS H A 414 VAL HGx% 1.0 1.8 6.00 456 317 A 413 HIS H A 414 VAL HGy% 1.0 1.8 6.00 457 318 A 413 HIS HA A 414 VAL H 1.0 1.8 4.75 458 319 A 413 HIS HB2 A 414 VAL H 1.0 1.8 4.75 459 320 A 413 HIS HD2 A 414 VAL H 1.0 1.8 4.75 460 321 A 413 HIS HD2 A 414 VAL HGx% 1.0 1.8 4.75 461 322 A 413 HIS HD2 A 414 VAL HGy% 1.0 1.8 4.75 462 323 A 414 VAL H A 415 MET H 1.0 1.8 3.50 463 324 A 414 VAL H A 415 MET HA 1.0 1.8 6.00 464 325 A 414 VAL HA A 415 MET H 1.0 1.8 3.50 465 326 A 414 VAL HB A 415 MET H 1.0 1.8 3.50 466 327 A 414 VAL HGx% A 415 MET H 1.0 1.8 4.75 467 328 A 414 VAL HGx% A 415 MET HA 1.0 1.8 6.00 468 329 A 414 VAL HGy% A 415 MET H 1.0 1.8 6.00 469 330 A 415 MET H A 416 GLU H 1.0 1.8 3.50 470 331 A 415 MET H A 416 GLU HA 1.0 1.8 6.00 471 332 A 415 MET HA A 416 GLU H 1.0 1.8 4.75 472 333 A 416 GLU H A 415 MET HGy 1.0 1.8 6.00 473 333 A 415 MET HGx A 416 GLU H 1.0 1.8 6.00 474 334 A 416 GLU H A 417 CYS H 1.0 1.8 2.80 475 335 A 416 GLU H A 417 CYS HA 1.0 1.8 6.00 476 336 A 416 GLU H A 417 CYS HB3 1.0 1.8 4.75 477 337 A 416 GLU HA A 417 CYS H 1.0 1.8 4.75 478 338 A 417 CYS H A 416 GLU HBx 1.0 1.8 3.50 479 338 A 416 GLU HBy A 417 CYS H 1.0 1.8 3.50 480 339 A 417 CYS H A 416 GLU HGx 1.0 1.8 4.75 481 339 A 416 GLU HGy A 417 CYS H 1.0 1.8 4.75 482 340 A 417 CYS H A 418 ILE H 1.0 1.8 4.75 483 341 A 417 CYS H A 418 ILE HA 1.0 1.8 6.00 484 342 A 417 CYS H A 418 ILE HG2% 1.0 1.8 6.00 485 343 A 417 CYS HA A 418 ILE H 1.0 1.8 3.50 486 344 A 417 CYS HA A 418 ILE HG2% 1.0 1.8 6.00 487 345 A 417 CYS HB3 A 418 ILE H 1.0 1.8 4.75 488 346 A 417 CYS HB3 A 418 ILE HG2% 1.0 1.8 6.00 489 347 A 418 ILE H A 419 GLU H 1.0 1.8 4.75 490 348 A 418 ILE HA A 419 GLU H 1.0 1.8 2.80 491 349 A 418 ILE HG2% A 419 GLU H 1.0 1.8 6.00 492 350 A 419 GLU H A 418 ILE HG1x 1.0 1.8 6.00 493 350 A 418 ILE HG1y A 419 GLU H 1.0 1.8 6.00 494 351 A 395 PHE H A 393 PRO HBy 1.0 1.8 6.00 495 351 A 395 PHE H A 393 PRO HBx 1.0 1.8 6.00 496 352 A 395 PHE HE% A 393 PRO HBy 1.0 1.8 6.00 497 352 A 395 PHE HE% A 393 PRO HBx 1.0 1.8 6.00 498 353 A 394 ASP HA A 396 CYS H 1.0 1.8 3.50 499 354 A 396 CYS H A 394 ASP HB2 1.0 1.8 4.75 500 354 A 394 ASP HB3 A 396 CYS H 1.0 1.8 4.75 501 355 A 399 LYS H A 401 GLN H 1.0 1.8 4.75 502 356 A 399 LYS HB3 A 401 GLN H 1.0 1.8 6.00 503 357 A 399 LYS HB2 A 401 GLN H 1.0 1.8 6.00 504 358 A 400 CYS H A 402 TYR H 1.0 1.8 6.00 505 359 A 400 CYS HA A 402 TYR H 1.0 1.8 6.00 506 360 A 402 TYR HD% A 404 ALA H 1.0 1.8 6.00 507 361 A 402 TYR HD% A 404 ALA HA 1.0 1.8 6.00 508 362 A 402 TYR HD% A 404 ALA HB% 1.0 1.8 4.75 509 363 A 402 TYR HE% A 404 ALA H 1.0 1.8 6.00 510 364 A 402 TYR HE% A 404 ALA HA 1.0 1.8 3.50 511 365 A 402 TYR HE% A 404 ALA HB% 1.0 1.8 3.50 512 366 A 404 ALA H A 406 ASP H 1.0 1.8 6.00 513 367 A 404 ALA HA A 406 ASP H 1.0 1.8 6.00 514 368 A 404 ALA HB% A 406 ASP H 1.0 1.8 3.50 515 369 A 406 ASP HA A 408 ASP H 1.0 1.8 6.00 516 370 A 408 ASP H A 406 ASP HBx 1.0 1.8 4.75 517 370 A 406 ASP HBy A 408 ASP H 1.0 1.8 4.75 518 371 A 407 MET H A 409 THR H 1.0 1.8 6.00 519 372 A 408 ASP H A 410 LEU H 1.0 1.8 4.75 520 373 A 408 ASP HA A 410 LEU H 1.0 1.8 6.00 521 374 A 409 THR H A 411 GLN H 1.0 1.8 6.00 522 375 A 409 THR HA A 411 GLN H 1.0 1.8 4.75 523 376 A 410 LEU H A 412 ILE H 1.0 1.8 6.00 524 377 A 410 LEU HA A 412 ILE H 1.0 1.8 4.75 525 378 A 411 GLN H A 413 HIS H 1.0 1.8 4.75 526 379 A 411 GLN H A 413 HIS HB3 1.0 1.8 6.00 527 380 A 411 GLN HA A 413 HIS H 1.0 1.8 6.00 528 381 A 412 ILE H A 414 VAL H 1.0 1.8 4.75 529 382 A 412 ILE HA A 414 VAL H 1.0 1.8 6.00 530 383 A 412 ILE HB A 414 VAL H 1.0 1.8 6.00 531 384 A 413 HIS H A 415 MET H 1.0 1.8 4.75 532 385 A 413 HIS HA A 415 MET H 1.0 1.8 4.75 533 386 A 414 VAL H A 416 GLU H 1.0 1.8 6.00 534 387 A 414 VAL HA A 416 GLU H 1.0 1.8 4.75 535 388 A 414 VAL HGx% A 416 GLU H 1.0 1.8 6.00 536 389 A 414 VAL HGy% A 416 GLU H 1.0 1.8 6.00 537 390 A 415 MET H A 417 CYS H 1.0 1.8 4.75 538 391 A 415 MET HA A 417 CYS H 1.0 1.8 6.00 539 392 A 416 GLU H A 418 ILE H 1.0 1.8 6.00 540 393 A 416 GLU HA A 418 ILE HG2% 1.0 1.8 6.00 541 394 A 417 CYS HA A 419 GLU H 1.0 1.8 6.00 542 395 A 397 CYS HB2 A 400 CYS H 1.0 1.8 4.75 543 396 A 401 GLN H A 398 PRO HA 1.0 1.8 6.00 544 397 A 401 GLN HE21 A 398 PRO HA 1.0 1.8 6.00 545 398 A 401 GLN HE22 A 398 PRO HA 1.0 1.8 6.00 546 399 A 402 TYR HE% A 405 PRO HDx 1.0 1.8 4.75 547 399 A 402 TYR HE% A 405 PRO HDy 1.0 1.8 4.75 548 400 A 406 ASP H A 409 THR H 1.0 1.8 6.00 549 401 A 406 ASP H A 409 THR HB 1.0 1.8 3.50 550 402 A 406 ASP H A 409 THR HG2% 1.0 1.8 4.75 551 403 A 409 THR H A 406 ASP HBx 1.0 1.8 6.00 552 403 A 406 ASP HBy A 409 THR H 1.0 1.8 6.00 553 404 A 407 MET HA A 410 LEU HB3 1.0 1.8 2.80 554 405 A 407 MET HA A 410 LEU HB2 1.0 1.8 3.50 555 406 A 407 MET HA A 410 LEU HDx% 1.0 1.8 6.00 556 407 A 407 MET HA A 410 LEU HDy% 1.0 1.8 4.75 557 408 A 407 MET HE% A 410 LEU HDy% 1.0 1.8 6.00 558 409 A 410 LEU HDy% A 407 MET HB2 1.0 1.8 6.00 559 409 A 407 MET HB3 A 410 LEU HDy% 1.0 1.8 6.00 560 410 A 410 LEU H A 407 MET HG2 1.0 1.8 6.00 561 410 A 407 MET HG3 A 410 LEU H 1.0 1.8 6.00 562 411 A 410 LEU HDy% A 407 MET HG2 1.0 1.8 6.00 563 411 A 407 MET HG3 A 410 LEU HDy% 1.0 1.8 6.00 564 412 A 408 ASP HA A 411 GLN H 1.0 1.8 3.50 565 413 A 408 ASP HA A 411 GLN HBx 1.0 1.8 3.50 566 413 A 408 ASP HA A 411 GLN HBy 1.0 1.8 3.50 567 414 A 409 THR H A 412 ILE HD1% 1.0 1.8 6.00 568 415 A 409 THR HA A 412 ILE H 1.0 1.8 3.50 569 416 A 409 THR HA A 412 ILE HB 1.0 1.8 2.80 570 417 A 409 THR HA A 412 ILE HD1% 1.0 1.8 4.75 571 418 A 409 THR HA A 412 ILE HG1y 1.0 1.8 4.75 572 418 A 409 THR HA A 412 ILE HG1x 1.0 1.8 4.75 573 419 A 409 THR HB A 412 ILE H 1.0 1.8 6.00 574 420 A 409 THR HB A 412 ILE HD1% 1.0 1.8 6.00 575 421 A 410 LEU HA A 413 HIS HD2 1.0 1.8 4.75 576 422 A 410 LEU HG A 413 HIS HD2 1.0 1.8 6.00 577 423 A 410 LEU HDx% A 413 HIS HB3 1.0 1.8 4.75 578 424 A 410 LEU HDx% A 413 HIS HB2 1.0 1.8 6.00 579 425 A 410 LEU HDx% A 413 HIS HD2 1.0 1.8 4.75 580 426 A 410 LEU HDy% A 413 HIS HB3 1.0 1.8 6.00 581 427 A 410 LEU HDy% A 413 HIS HD2 1.0 1.8 6.00 582 428 A 411 GLN H A 414 VAL HGx% 1.0 1.8 6.00 583 429 A 411 GLN H A 414 VAL HGy% 1.0 1.8 6.00 584 430 A 411 GLN HA A 414 VAL H 1.0 1.8 3.50 585 431 A 411 GLN HA A 414 VAL HB 1.0 1.8 4.75 586 432 A 411 GLN HA A 414 VAL HGx% 1.0 1.8 6.00 587 433 A 411 GLN HA A 414 VAL HGy% 1.0 1.8 3.50 588 434 A 412 ILE HA A 415 MET H 1.0 1.8 3.50 589 435 A 412 ILE HA A 415 MET HBx 1.0 1.8 3.50 590 435 A 412 ILE HA A 415 MET HBy 1.0 1.8 3.50 591 436 A 413 HIS H A 416 GLU H 1.0 1.8 6.00 592 437 A 413 HIS HA A 416 GLU H 1.0 1.8 4.75 593 438 A 413 HIS HA A 416 GLU HBx 1.0 1.8 4.75 594 438 A 413 HIS HA A 416 GLU HBy 1.0 1.8 4.75 595 439 A 414 VAL H A 417 CYS H 1.0 1.8 6.00 596 440 A 414 VAL H A 417 CYS HB3 1.0 1.8 6.00 597 441 A 414 VAL H A 417 CYS HB2 1.0 1.8 6.00 598 442 A 414 VAL HA A 417 CYS H 1.0 1.8 3.50 599 443 A 414 VAL HA A 417 CYS HB3 1.0 1.8 2.80 600 444 A 414 VAL HGx% A 417 CYS H 1.0 1.8 6.00 601 445 A 414 VAL HGx% A 417 CYS HB3 1.0 1.8 6.00 602 446 A 414 VAL HGy% A 417 CYS H 1.0 1.8 6.00 603 447 A 414 VAL HGy% A 417 CYS HB3 1.0 1.8 6.00 604 448 A 415 MET HA A 418 ILE HD1% 1.0 1.8 6.00 605 449 A 397 CYS H A 401 GLN HA 1.0 1.8 4.75 606 450 A 397 CYS HB3 A 401 GLN HA 1.0 1.8 4.75 607 451 A 397 CYS HB2 A 401 GLN H 1.0 1.8 4.75 608 452 A 397 CYS HB2 A 401 GLN HA 1.0 1.8 6.00 609 453 A 409 THR H A 405 PRO HDx 1.0 1.8 6.00 610 453 A 409 THR H A 405 PRO HDy 1.0 1.8 6.00 611 454 A 409 THR HB A 405 PRO HDx 1.0 1.8 3.50 612 454 A 409 THR HB A 405 PRO HDy 1.0 1.8 3.50 613 455 A 409 THR HG2% A 405 PRO HDx 1.0 1.8 3.50 614 455 A 409 THR HG2% A 405 PRO HDy 1.0 1.8 3.50 615 456 A 406 ASP H A 410 LEU H 1.0 1.8 6.00 616 457 A 407 MET HA A 411 GLN H 1.0 1.8 4.75 617 458 A 411 GLN H A 407 MET HB2 1.0 1.8 6.00 618 458 A 407 MET HB3 A 411 GLN H 1.0 1.8 6.00 619 459 A 408 ASP HA A 412 ILE H 1.0 1.8 6.00 620 460 A 412 ILE HD1% A 408 ASP HB2 1.0 1.8 6.00 621 460 A 408 ASP HB3 A 412 ILE HD1% 1.0 1.8 6.00 622 461 A 409 THR HA A 413 HIS H 1.0 1.8 4.75 623 462 A 409 THR HG2% A 413 HIS H 1.0 1.8 6.00 624 463 A 410 LEU HA A 414 VAL H 1.0 1.8 4.75 625 464 A 410 LEU HA A 414 VAL HGy% 1.0 1.8 6.00 626 465 A 410 LEU HG A 414 VAL H 1.0 1.8 6.00 627 466 A 410 LEU HG A 414 VAL HGy% 1.0 1.8 4.75 628 467 A 410 LEU HDx% A 414 VAL H 1.0 1.8 6.00 629 468 A 410 LEU HDy% A 414 VAL H 1.0 1.8 6.00 630 469 A 410 LEU HDy% A 414 VAL HGx% 1.0 1.8 6.00 631 470 A 410 LEU HDy% A 414 VAL HGy% 1.0 1.8 6.00 632 471 A 411 GLN HA A 415 MET H 1.0 1.8 4.75 633 472 A 412 ILE HA A 416 GLU H 1.0 1.8 6.00 634 473 A 413 HIS HA A 417 CYS H 1.0 1.8 6.00 635 474 A 413 HIS HD2 A 417 CYS HB3 1.0 1.8 4.75 636 475 A 413 HIS HD2 A 417 CYS HB2 1.0 1.8 3.50 637 476 A 414 VAL HA A 418 ILE H 1.0 1.8 4.75 638 477 A 414 VAL HGx% A 418 ILE HD1% 1.0 1.8 4.75 639 478 A 414 VAL HGy% A 418 ILE HD1% 1.0 1.8 6.00 640 479 A 395 PHE HB3 A 404 ALA H 1.0 1.8 4.75 641 480 A 395 PHE HB3 A 404 ALA HB% 1.0 1.8 4.75 642 481 A 395 PHE HB2 A 404 ALA H 1.0 1.8 4.75 643 482 A 395 PHE HB2 A 404 ALA HB% 1.0 1.8 4.75 644 483 A 395 PHE HD% A 404 ALA H 1.0 1.8 4.75 645 484 A 395 PHE HD% A 406 ASP HA 1.0 1.8 3.50 646 485 A 395 PHE HD% A 406 ASP HBx 1.0 1.8 4.75 647 485 A 395 PHE HD% A 406 ASP HBy 1.0 1.8 4.75 648 486 A 395 PHE HE% A 406 ASP HA 1.0 1.8 3.50 649 487 A 395 PHE HE% A 406 ASP HBx 1.0 1.8 6.00 650 487 A 395 PHE HE% A 406 ASP HBy 1.0 1.8 6.00 651 488 A 395 PHE HD% A 407 MET H 1.0 1.8 6.00 652 489 A 395 PHE HD% A 407 MET HA 1.0 1.8 3.50 653 490 A 395 PHE HD% A 407 MET HE% 1.0 1.8 6.00 654 491 A 395 PHE HD% A 407 MET HB2 1.0 1.8 4.75 655 491 A 395 PHE HD% A 407 MET HB3 1.0 1.8 4.75 656 492 A 395 PHE HD% A 407 MET HG2 1.0 1.8 4.75 657 492 A 395 PHE HD% A 407 MET HG3 1.0 1.8 4.75 658 493 A 395 PHE HE% A 407 MET H 1.0 1.8 6.00 659 494 A 395 PHE HE% A 407 MET HA 1.0 1.8 6.00 660 495 A 395 PHE HE% A 407 MET HE% 1.0 1.8 6.00 661 496 A 395 PHE HE% A 407 MET HB2 1.0 1.8 4.75 662 496 A 395 PHE HE% A 407 MET HB3 1.0 1.8 4.75 663 497 A 395 PHE HE% A 407 MET HG2 1.0 1.8 4.75 664 497 A 395 PHE HE% A 407 MET HG3 1.0 1.8 4.75 665 498 A 395 PHE HA A 410 LEU HB2 1.0 1.8 6.00 666 499 A 395 PHE HA A 410 LEU HDy% 1.0 1.8 4.75 667 500 A 395 PHE HB3 A 410 LEU H 1.0 1.8 6.00 668 501 A 395 PHE HB3 A 410 LEU HDx% 1.0 1.8 6.00 669 502 A 395 PHE HB3 A 410 LEU HDy% 1.0 1.8 4.75 670 503 A 395 PHE HB2 A 410 LEU HDx% 1.0 1.8 6.00 671 504 A 395 PHE HB2 A 410 LEU HDy% 1.0 1.8 6.00 672 505 A 395 PHE HD% A 410 LEU H 1.0 1.8 6.00 673 506 A 395 PHE HD% A 410 LEU HB3 1.0 1.8 6.00 674 507 A 395 PHE HD% A 410 LEU HB2 1.0 1.8 4.75 675 508 A 395 PHE HD% A 410 LEU HDx% 1.0 1.8 6.00 676 509 A 395 PHE HD% A 410 LEU HDy% 1.0 1.8 6.00 677 510 A 395 PHE HE% A 410 LEU HB3 1.0 1.8 6.00 678 511 A 395 PHE HE% A 410 LEU HDy% 1.0 1.8 6.00 679 512 A 396 CYS HA A 401 GLN HA 1.0 1.8 6.00 680 513 A 401 GLN HA A 396 CYS HBx 1.0 1.8 4.75 681 513 A 396 CYS HBy A 401 GLN HA 1.0 1.8 4.75 682 514 A 396 CYS HA A 402 TYR HD% 1.0 1.8 6.00 683 515 A 396 CYS H A 403 GLN HA 1.0 1.8 6.00 684 516 A 396 CYS HA A 403 GLN H 1.0 1.8 6.00 685 517 A 396 CYS HA A 403 GLN HA 1.0 1.8 3.50 686 518 A 396 CYS HA A 403 GLN HBy 1.0 1.8 6.00 687 518 A 396 CYS HA A 403 GLN HBx 1.0 1.8 6.00 688 519 A 396 CYS HA A 403 GLN HGx 1.0 1.8 6.00 689 519 A 396 CYS HA A 403 GLN HGy 1.0 1.8 6.00 690 520 A 396 CYS HA A 404 ALA H 1.0 1.8 4.75 691 521 A 396 CYS HA A 404 ALA HB% 1.0 1.8 6.00 692 522 A 396 CYS H A 410 LEU HDx% 1.0 1.8 6.00 693 523 A 396 CYS H A 410 LEU HDy% 1.0 1.8 6.00 694 524 A 396 CYS HA A 410 LEU HDx% 1.0 1.8 6.00 695 525 A 396 CYS HA A 410 LEU HDy% 1.0 1.8 6.00 696 526 A 397 CYS H A 402 TYR H 1.0 1.8 6.00 697 527 A 397 CYS H A 402 TYR HD% 1.0 1.8 6.00 698 528 A 397 CYS HA A 402 TYR HD% 1.0 1.8 6.00 699 529 A 397 CYS HB3 A 402 TYR H 1.0 1.8 3.50 700 530 A 397 CYS HB3 A 402 TYR HB3 1.0 1.8 3.50 701 531 A 397 CYS HB3 A 402 TYR HD% 1.0 1.8 4.75 702 532 A 397 CYS HB3 A 402 TYR HE% 1.0 1.8 6.00 703 533 A 397 CYS HB2 A 402 TYR H 1.0 1.8 4.75 704 534 A 397 CYS HB2 A 402 TYR HB3 1.0 1.8 3.50 705 535 A 397 CYS HB2 A 402 TYR HD% 1.0 1.8 3.50 706 536 A 397 CYS HB2 A 402 TYR HE% 1.0 1.8 6.00 707 537 A 397 CYS H A 403 GLN HA 1.0 1.8 4.75 708 538 A 397 CYS H A 410 LEU HDx% 1.0 1.8 6.00 709 539 A 397 CYS HA A 410 LEU HDx% 1.0 1.8 4.75 710 540 A 397 CYS HA A 410 LEU HDy% 1.0 1.8 6.00 711 541 A 397 CYS HB3 A 410 LEU HDx% 1.0 1.8 6.00 712 542 A 397 CYS HB2 A 410 LEU HDx% 1.0 1.8 4.75 713 543 A 397 CYS H A 413 HIS HD2 1.0 1.8 6.00 714 544 A 397 CYS HA A 413 HIS HD2 1.0 1.8 6.00 715 545 A 397 CYS HB3 A 413 HIS HD2 1.0 1.8 3.50 716 546 A 397 CYS HB3 A 413 HIS HE1 1.0 1.8 6.00 717 547 A 397 CYS HB2 A 413 HIS HD2 1.0 1.8 2.80 718 548 A 397 CYS HB2 A 413 HIS HE1 1.0 1.8 6.00 719 549 A 397 CYS HA A 414 VAL HGx% 1.0 1.8 6.00 720 550 A 397 CYS HA A 414 VAL HGy% 1.0 1.8 6.00 721 551 A 397 CYS HB2 A 414 VAL HGx% 1.0 1.8 6.00 722 552 A 397 CYS HB2 A 414 VAL HGy% 1.0 1.8 6.00 723 553 A 410 LEU HDy% A 398 PRO HDx 1.0 1.8 6.00 724 553 A 410 LEU HDy% A 398 PRO HDy 1.0 1.8 6.00 725 554 A 413 HIS HD2 A 398 PRO HDx 1.0 1.8 6.00 726 554 A 413 HIS HD2 A 398 PRO HDy 1.0 1.8 6.00 727 555 A 414 VAL HGx% A 398 PRO HDx 1.0 1.8 4.75 728 555 A 414 VAL HGx% A 398 PRO HDy 1.0 1.8 4.75 729 556 A 414 VAL HGy% A 398 PRO HDx 1.0 1.8 4.75 730 556 A 414 VAL HGy% A 398 PRO HDy 1.0 1.8 4.75 731 557 A 418 ILE HD1% A 398 PRO HDx 1.0 1.8 4.75 732 557 A 418 ILE HD1% A 398 PRO HDy 1.0 1.8 4.75 733 558 A 399 LYS HB3 A 414 VAL HGx% 1.0 1.8 4.75 734 559 A 414 VAL HGx% A 399 LYS HEy 1.0 1.8 6.00 735 559 A 399 LYS HEx A 414 VAL HGx% 1.0 1.8 6.00 736 560 A 399 LYS H A 418 ILE HD1% 1.0 1.8 6.00 737 561 A 399 LYS HB3 A 418 ILE HG2% 1.0 1.8 4.75 738 562 A 399 LYS HB2 A 418 ILE HG2% 1.0 1.8 4.75 739 563 A 418 ILE HA A 399 LYS HDy 1.0 1.8 4.75 740 563 A 399 LYS HDx A 418 ILE HA 1.0 1.8 4.75 741 564 A 418 ILE HG2% A 399 LYS HDy 1.0 1.8 6.00 742 564 A 399 LYS HDx A 418 ILE HG2% 1.0 1.8 6.00 743 565 A 418 ILE HA A 399 LYS HEy 1.0 1.8 6.00 744 565 A 399 LYS HEx A 418 ILE HA 1.0 1.8 6.00 745 566 A 418 ILE HG2% A 399 LYS HEy 1.0 1.8 6.00 746 566 A 399 LYS HEx A 418 ILE HG2% 1.0 1.8 6.00 747 567 A 402 TYR HD% A 409 THR HG2% 1.0 1.8 6.00 748 568 A 402 TYR HE% A 409 THR HB 1.0 1.8 6.00 749 569 A 402 TYR HE% A 409 THR HG2% 1.0 1.8 3.50 750 570 A 402 TYR HD% A 410 LEU HA 1.0 1.8 6.00 751 571 A 402 TYR HD% A 410 LEU HDx% 1.0 1.8 6.00 752 572 A 402 TYR HD% A 410 LEU HDy% 1.0 1.8 6.00 753 573 A 402 TYR HE% A 410 LEU H 1.0 1.8 6.00 754 574 A 402 TYR HE% A 410 LEU HA 1.0 1.8 3.50 755 575 A 402 TYR HE% A 410 LEU HDx% 1.0 1.8 6.00 756 576 A 402 TYR HE% A 410 LEU HDy% 1.0 1.8 6.00 757 577 A 402 TYR H A 413 HIS HE1 1.0 1.8 6.00 758 578 A 402 TYR HA A 413 HIS HE1 1.0 1.8 6.00 759 579 A 402 TYR HB3 A 413 HIS HE1 1.0 1.8 4.75 760 580 A 402 TYR HB2 A 413 HIS HE1 1.0 1.8 4.75 761 581 A 402 TYR HD% A 413 HIS HB3 1.0 1.8 4.75 762 582 A 402 TYR HD% A 413 HIS HD2 1.0 1.8 4.75 763 583 A 402 TYR HD% A 413 HIS HE1 1.0 1.8 4.75 764 584 A 402 TYR HE% A 413 HIS H 1.0 1.8 6.00 765 585 A 402 TYR HE% A 413 HIS HB3 1.0 1.8 3.50 766 586 A 402 TYR HE% A 413 HIS HB2 1.0 1.8 3.50 767 587 A 402 TYR HE% A 413 HIS HD2 1.0 1.8 6.00 768 588 A 402 TYR HD% A 414 VAL HGy% 1.0 1.8 6.00 769 589 A 404 ALA HA A 409 THR HG2% 1.0 1.8 4.75 770 590 A 404 ALA HB% A 409 THR H 1.0 1.8 6.00 771 591 A 404 ALA HB% A 409 THR HB 1.0 1.8 3.50 772 592 A 404 ALA H A 410 LEU HA 1.0 1.8 6.00 773 593 A 404 ALA H A 410 LEU HDx% 1.0 1.8 6.00 774 594 A 404 ALA H A 410 LEU HDy% 1.0 1.8 6.00 775 595 A 404 ALA HA A 410 LEU HB3 1.0 1.8 6.00 776 596 A 404 ALA HB% A 413 HIS H 1.0 1.8 6.00 777 597 A 410 LEU H A 405 PRO HDx 1.0 1.8 6.00 778 597 A 410 LEU H A 405 PRO HDy 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 397 CYS SG A 400 CYS SG 1.0 3.55 3.95 2 2 A 397 CYS SG A 413 HIS NE2 1.0 3.25 3.65 3 3 A 397 CYS SG A 417 CYS SG 1.0 3.55 3.95 4 4 A 400 CYS SG A 413 HIS NE2 1.0 3.25 3.65 5 5 A 400 CYS SG A 417 CYS SG 1.0 3.55 3.95 6 6 A 413 HIS NE2 A 417 CYS SG 1.0 3.25 3.65 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 395 PHE N A 395 PHE CA A 395 PHE CB A 395 PHE CG 1.0 -105.0 -15.0 CHI1 2 2 A 397 CYS N A 397 CYS CA A 397 CYS CB A 397 CYS SG 1.0 135.0 225.0 CHI1 3 3 A 399 LYS N A 399 LYS CA A 399 LYS CB A 399 LYS CG 1.0 -105.0 -15.0 CHI1 4 4 A 400 CYS N A 400 CYS CA A 400 CYS CB A 400 CYS SG 1.0 15.0 105.0 CHI1 5 5 A 402 TYR N A 402 TYR CA A 402 TYR CB A 402 TYR CG 1.0 135.0 225.0 CHI1 6 6 A 410 LEU N A 410 LEU CA A 410 LEU CB A 410 LEU CG 1.0 135.0 225.0 CHI1 7 7 A 413 HIS N A 413 HIS CA A 413 HIS CB A 413 HIS CG 1.0 135.0 225.0 CHI1 8 8 A 414 VAL N A 414 VAL CA A 414 VAL CB A 414 VAL HB 1.0 135.0 225.0 . 9 9 A 417 CYS N A 417 CYS CA A 417 CYS CB A 417 CYS SG 1.0 135.0 225.0 CHI1 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 395 PHE C A 396 CYS N A 396 CYS CA A 396 CYS C 1.0 -139.5 -78.9 PHI 2 2 A 396 CYS C A 397 CYS N A 397 CYS CA A 397 CYS C 1.0 -129.0 -67.8 PHI 3 3 A 398 PRO C A 399 LYS N A 399 LYS CA A 399 LYS C 1.0 -111.4 -71.2 PHI 4 4 A 401 GLN C A 402 TYR N A 402 TYR CA A 402 TYR C 1.0 -114.6 -58.4 PHI 5 5 A 402 TYR C A 403 GLN N A 403 GLN CA A 403 GLN C 1.0 -139.2 -75.8 PHI 6 6 A 403 GLN C A 404 ALA N A 404 ALA CA A 404 ALA C 1.0 -142.3 -47.5 PHI 7 7 A 404 ALA C A 405 PRO N A 405 PRO CA A 405 PRO C 1.0 -78.3 -46.5 PHI 8 8 A 406 ASP C A 407 MET N A 407 MET CA A 407 MET C 1.0 -98.7 -35.1 PHI 9 9 A 407 MET C A 408 ASP N A 408 ASP CA A 408 ASP C 1.0 -69.4 -52.2 PHI 10 10 A 408 ASP C A 409 THR N A 409 THR CA A 409 THR C 1.0 -73.8 -55.2 PHI 11 11 A 409 THR C A 410 LEU N A 410 LEU CA A 410 LEU C 1.0 -70.9 -58.5 PHI 12 12 A 410 LEU C A 411 GLN N A 411 GLN CA A 411 GLN C 1.0 -68.9 -56.9 PHI 13 13 A 411 GLN C A 412 ILE N A 412 ILE CA A 412 ILE C 1.0 -77.8 -54.6 PHI 14 14 A 412 ILE C A 413 HIS N A 413 HIS CA A 413 HIS C 1.0 -66.8 -57.4 PHI 15 15 A 413 HIS C A 414 VAL N A 414 VAL CA A 414 VAL C 1.0 -74.9 -54.5 PHI 16 16 A 414 VAL C A 415 MET N A 415 MET CA A 415 MET C 1.0 -70.6 -53.6 PHI 17 17 A 415 MET C A 416 GLU N A 416 GLU CA A 416 GLU C 1.0 -120.1 -80.5 PHI 18 18 A 417 CYS C A 418 ILE N A 418 ILE CA A 418 ILE C 1.0 -116.7 -49.7 PHI 19 19 A 396 CYS N A 396 CYS CA A 396 CYS C A 397 CYS N 1.0 98.5 146.7 PSI 20 20 A 397 CYS N A 397 CYS CA A 397 CYS C A 398 PRO N 1.0 101.2 151.8 PSI 21 21 A 399 LYS N A 399 LYS CA A 399 LYS C A 400 CYS N 1.0 -44.6 2.8 PSI 22 22 A 402 TYR N A 402 TYR CA A 402 TYR C A 403 GLN N 1.0 114.4 153.2 PSI 23 23 A 403 GLN N A 403 GLN CA A 403 GLN C A 404 ALA N 1.0 87.8 146.8 PSI 24 24 A 404 ALA N A 404 ALA CA A 404 ALA C A 405 PRO N 1.0 94.3 166.1 PSI 25 25 A 405 PRO N A 405 PRO CA A 405 PRO C A 406 ASP N 1.0 -36.6 -10.4 PSI 26 26 A 407 MET N A 407 MET CA A 407 MET C A 408 ASP N 1.0 -58.8 -19.2 PSI 27 27 A 408 ASP N A 408 ASP CA A 408 ASP C A 409 THR N 1.0 -56.0 -35.8 PSI 28 28 A 409 THR N A 409 THR CA A 409 THR C A 410 LEU N 1.0 -46.6 -36.8 PSI 29 29 A 410 LEU N A 410 LEU CA A 410 LEU C A 411 GLN N 1.0 -47.2 -38.6 PSI 30 30 A 411 GLN N A 411 GLN CA A 411 GLN C A 412 ILE N 1.0 -47.9 -30.5 PSI 31 31 A 412 ILE N A 412 ILE CA A 412 ILE C A 413 HIS N 1.0 -50.3 -31.1 PSI 32 32 A 413 HIS N A 413 HIS CA A 413 HIS C A 414 VAL N 1.0 -47.7 -34.1 PSI 33 33 A 414 VAL N A 414 VAL CA A 414 VAL C A 415 MET N 1.0 -53.1 -26.7 PSI 34 34 A 415 MET N A 415 MET CA A 415 MET C A 416 GLU N 1.0 -38.4 -25.4 PSI 35 35 A 416 GLU N A 416 GLU CA A 416 GLU C A 417 CYS N 1.0 -27.1 35.1 PSI 36 36 A 418 ILE N A 418 ILE CA A 418 ILE C A 419 GLU N 1.0 104.8 155.2 PSI stop_ save_