data_nef_c17639_2lcz save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17638 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 5 CYS SG 1 50 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 507 ALA start . . 2 A 508 GLN middle . . 3 A 509 PRO middle . false 4 A 510 LYS middle . . 5 A 511 CYS middle -HG . 6 A 512 ASN middle . . 7 A 513 PRO middle . false 8 A 514 ASN middle . . 9 A 515 LEU middle . . 10 A 516 HIS middle . . 11 A 517 TYR middle . . 12 A 518 TRP middle . . 13 A 519 THR middle . . 14 A 520 THR middle . . 15 A 521 GLN middle . . 16 A 522 ASP middle . . 17 A 523 GLU middle . . 18 A 524 GLY middle . false 19 A 525 ALA middle . . 20 A 526 ALA middle . . 21 A 527 ILE middle . . 22 A 528 GLY middle . false 23 A 529 LEU middle . . 24 A 530 ALA middle . . 25 A 531 TRP middle . . 26 A 532 ILE middle . . 27 A 533 PRO middle . false 28 A 534 TYR middle . . 29 A 535 PHE middle . . 30 A 536 GLY middle . false 31 A 537 PRO middle . false 32 A 538 ALA middle . . 33 A 539 ALA middle . . 34 A 540 GLU middle . . 35 A 541 GLY middle . false 36 A 542 ILE middle . . 37 A 543 TYR middle . . 38 A 544 ILE middle . . 39 A 545 GLU middle . . 40 A 546 GLY middle . false 41 A 547 LEU middle . . 42 A 548 MET middle . . 43 A 549 HIS middle . . 44 A 550 ASN middle . . 45 A 551 GLN middle . . 46 A 552 ASP middle . . 47 A 553 GLY middle . false 48 A 554 LEU middle . . 49 A 555 ILE middle . . 50 A 556 CYS middle -HG . 51 A 557 GLY middle . false 52 A 558 LEU middle . . 53 A 559 ARG middle . . 54 A 560 GLN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 507 ALA HA H 1 4.274 0.014 A 507 ALA HB% H 1 1.385 0.012 A 507 ALA C C 13 177.462 0.000 A 507 ALA CA C 13 52.846 0.066 A 507 ALA CB C 13 19.327 0.011 A 508 GLN H H 1 8.390 0.009 A 508 GLN HA H 1 4.637 0.003 A 508 GLN HBy H 1 2.086 0.004 A 508 GLN HBx H 1 1.952 0.006 A 508 GLN HE2y H 1 7.583 0.004 A 508 GLN HE2x H 1 6.888 0.003 A 508 GLN HGx H 1 2.402 0.003 A 508 GLN HGy H 1 2.402 0.003 A 508 GLN C C 13 176.901 0.000 A 508 GLN CA C 13 57.090 0.000 A 508 GLN CB C 13 30.048 0.103 A 508 GLN CG C 13 33.404 0.092 A 508 GLN N N 15 118.356 0.065 A 508 GLN NE2 N 15 112.074 0.235 A 509 PRO HA H 1 4.424 0.012 A 509 PRO HBy H 1 2.277 0.010 A 509 PRO HBx H 1 1.962 0.026 A 509 PRO HDy H 1 3.795 0.012 A 509 PRO HDx H 1 3.663 0.001 A 509 PRO HGx H 1 1.903 0.000 A 509 PRO HGy H 1 1.903 0.000 A 509 PRO C C 13 176.490 0.000 A 509 PRO CA C 13 63.160 0.129 A 509 PRO CB C 13 32.222 0.064 A 509 PRO CD C 13 50.704 0.041 A 509 PRO CG C 13 27.649 0.000 A 510 LYS H H 1 8.440 0.004 A 510 LYS HA H 1 4.320 0.011 A 510 LYS HBy H 1 1.815 0.002 A 510 LYS HBx H 1 1.745 0.015 A 510 LYS HDx H 1 1.672 0.002 A 510 LYS HDy H 1 1.672 0.002 A 510 LYS HEx H 1 2.983 0.006 A 510 LYS HEy H 1 2.983 0.006 A 510 LYS HGy H 1 1.455 0.011 A 510 LYS HGx H 1 1.421 0.004 A 510 LYS C C 13 176.265 0.059 A 510 LYS CA C 13 56.273 0.049 A 510 LYS CB C 13 33.270 0.089 A 510 LYS CD C 13 29.101 0.117 A 510 LYS CE C 13 42.197 0.100 A 510 LYS CG C 13 24.816 0.116 A 510 LYS N N 15 121.287 0.052 A 511 CYS H H 1 8.392 0.008 A 511 CYS HA H 1 4.671 0.003 A 511 CYS HBy H 1 3.161 0.008 A 511 CYS HBx H 1 3.013 0.021 A 511 CYS C C 13 173.370 0.007 A 511 CYS CA C 13 55.336 0.108 A 511 CYS CB C 13 42.049 0.161 A 511 CYS N N 15 119.297 0.095 A 512 ASN H H 1 8.723 0.003 A 512 ASN HA H 1 4.992 0.007 A 512 ASN HBy H 1 2.737 0.000 A 512 ASN HBx H 1 2.710 0.007 A 512 ASN HD2y H 1 7.675 0.009 A 512 ASN HD2x H 1 6.998 0.003 A 512 ASN C C 13 173.440 0.000 A 512 ASN CA C 13 51.162 0.099 A 512 ASN CB C 13 39.163 0.149 A 512 ASN N N 15 122.215 0.056 A 512 ASN ND2 N 15 112.561 0.217 A 513 PRO HA H 1 4.378 0.012 A 513 PRO HBy H 1 2.195 0.010 A 513 PRO HBx H 1 1.930 0.009 A 513 PRO HDy H 1 3.788 0.014 A 513 PRO HDx H 1 3.655 0.009 A 513 PRO HGx H 1 1.961 0.010 A 513 PRO HGy H 1 1.961 0.010 A 513 PRO C C 13 176.331 0.015 A 513 PRO CA C 13 63.631 0.169 A 513 PRO CB C 13 32.148 0.063 A 513 PRO CD C 13 50.684 0.085 A 513 PRO CG C 13 27.326 0.173 A 514 ASN H H 1 8.377 0.005 A 514 ASN HA H 1 4.652 0.017 A 514 ASN HBy H 1 2.772 0.012 A 514 ASN HBx H 1 2.710 0.008 A 514 ASN HD2y H 1 7.646 0.005 A 514 ASN HD2x H 1 6.946 0.003 A 514 ASN C C 13 174.976 0.006 A 514 ASN CA C 13 53.674 0.136 A 514 ASN CB C 13 38.811 0.077 A 514 ASN N N 15 117.511 0.042 A 514 ASN ND2 N 15 112.590 0.240 A 515 LEU H H 1 7.937 0.005 A 515 LEU HA H 1 4.290 0.013 A 515 LEU HBx H 1 1.553 0.017 A 515 LEU HDx% H 1 0.848 0.010 A 515 LEU HDy% H 1 0.862 0.007 A 515 LEU C C 13 176.720 0.013 A 515 LEU CA C 13 55.633 0.187 A 515 LEU CB C 13 42.392 0.138 A 515 LEU CDy C 13 25.416 0.000 A 515 LEU CDx C 13 23.908 0.049 A 515 LEU CG C 13 27.155 0.000 A 515 LEU N N 15 120.909 0.060 A 516 HIS H H 1 8.100 0.009 A 516 HIS HA H 1 4.473 0.010 A 516 HIS HBx H 1 2.929 0.012 A 516 HIS HD2 H 1 6.873 0.020 A 516 HIS HE1 H 1 7.923 0.018 A 516 HIS C C 13 175.332 0.017 A 516 HIS CA C 13 56.536 0.074 A 516 HIS CB C 13 30.425 0.105 A 516 HIS CD2 C 13 119.968 0.076 A 516 HIS CE1 C 13 137.825 0.076 A 516 HIS N N 15 118.536 0.078 A 517 TYR H H 1 7.996 0.021 A 517 TYR HA H 1 4.306 0.006 A 517 TYR HBx H 1 2.780 0.015 A 517 TYR HDx H 1 6.750 0.011 A 517 TYR HDy H 1 6.750 0.011 A 517 TYR HEx H 1 6.672 0.029 A 517 TYR HEy H 1 6.672 0.029 A 517 TYR C C 13 175.435 0.008 A 517 TYR CA C 13 59.162 0.118 A 517 TYR CB C 13 38.878 0.045 A 517 TYR CDy C 13 132.918 0.048 A 517 TYR CEy C 13 118.175 0.056 A 517 TYR N N 15 119.784 0.142 A 518 TRP H H 1 7.843 0.005 A 518 TRP HA H 1 4.639 0.015 A 518 TRP HBy H 1 3.269 0.016 A 518 TRP HBx H 1 3.214 0.012 A 518 TRP HD1 H 1 7.249 0.009 A 518 TRP HE1 H 1 10.469 0.012 A 518 TRP HE3 H 1 7.531 0.008 A 518 TRP HZ2 H 1 7.382 0.011 A 518 TRP HZ3 H 1 7.047 0.005 A 518 TRP C C 13 175.767 0.018 A 518 TRP CA C 13 57.756 0.103 A 518 TRP CB C 13 29.967 0.122 A 518 TRP CD1 C 13 127.087 0.085 A 518 TRP CE3 C 13 121.462 0.093 A 518 TRP CZ2 C 13 114.664 0.039 A 518 TRP CZ3 C 13 120.794 0.164 A 518 TRP N N 15 118.566 0.061 A 518 TRP NE1 N 15 130.176 0.050 A 519 THR H H 1 7.939 0.004 A 519 THR HA H 1 4.440 0.008 A 519 THR HB H 1 4.246 0.014 A 519 THR HG21 H 1 1.144 0.004 A 519 THR HG22 H 1 1.144 0.004 A 519 THR HG23 H 1 1.144 0.004 A 519 THR C C 13 174.490 0.012 A 519 THR CA C 13 61.777 0.102 A 519 THR CB C 13 70.078 0.086 A 519 THR CG2 C 13 21.670 0.093 A 519 THR N N 15 112.383 0.067 A 520 THR H H 1 8.039 0.009 A 520 THR HA H 1 4.363 0.007 A 520 THR HB H 1 4.236 0.006 A 520 THR HG21 H 1 1.165 0.008 A 520 THR HG22 H 1 1.165 0.008 A 520 THR HG23 H 1 1.165 0.008 A 520 THR C C 13 174.515 0.013 A 520 THR CA C 13 61.934 0.044 A 520 THR CB C 13 69.893 0.043 A 520 THR CG2 C 13 21.783 0.077 A 520 THR N N 15 114.853 0.102 A 521 GLN H H 1 8.347 0.010 A 521 GLN HA H 1 4.307 0.018 A 521 GLN HBy H 1 2.107 0.017 A 521 GLN HBx H 1 1.942 0.015 A 521 GLN HE2y H 1 7.478 0.012 A 521 GLN HE2x H 1 6.766 0.009 A 521 GLN HGx H 1 2.297 0.009 A 521 GLN HGy H 1 2.297 0.009 A 521 GLN C C 13 175.701 0.014 A 521 GLN CA C 13 56.122 0.116 A 521 GLN CB C 13 29.736 0.220 A 521 GLN CG C 13 33.878 0.071 A 521 GLN N N 15 121.833 0.054 A 521 GLN NE2 N 15 112.142 0.194 A 522 ASP H H 1 8.278 0.007 A 522 ASP HA H 1 4.550 0.014 A 522 ASP HBy H 1 2.644 0.019 A 522 ASP HBx H 1 2.604 0.003 A 522 ASP C C 13 176.441 0.009 A 522 ASP CA C 13 54.858 0.111 A 522 ASP CB C 13 41.411 0.056 A 522 ASP N N 15 121.035 0.053 A 523 GLU H H 1 8.448 0.007 A 523 GLU HA H 1 4.200 0.011 A 523 GLU HBx H 1 2.015 0.023 A 523 GLU HGx H 1 2.264 0.012 A 523 GLU HGy H 1 2.264 0.012 A 523 GLU C C 13 177.162 0.006 A 523 GLU CA C 13 57.436 0.073 A 523 GLU CB C 13 29.957 0.020 A 523 GLU CG C 13 36.485 0.049 A 523 GLU N N 15 121.067 0.070 A 524 GLY H H 1 8.415 0.007 A 524 GLY HAx H 1 3.902 0.017 A 524 GLY HAy H 1 3.902 0.017 A 524 GLY C C 13 174.034 0.012 A 524 GLY CA C 13 45.665 0.082 A 524 GLY N N 15 109.045 0.040 A 525 ALA H H 1 7.991 0.006 A 525 ALA HA H 1 4.287 0.011 A 525 ALA HB% H 1 1.377 0.008 A 525 ALA C C 13 177.309 0.009 A 525 ALA CA C 13 52.619 0.031 A 525 ALA CB C 13 19.508 0.082 A 525 ALA N N 15 123.260 0.028 A 526 ALA H H 1 8.172 0.007 A 526 ALA HA H 1 4.313 0.019 A 526 ALA HB% H 1 1.383 0.007 A 526 ALA C C 13 177.771 0.014 A 526 ALA CA C 13 52.690 0.059 A 526 ALA CB C 13 19.395 0.090 A 526 ALA N N 15 122.303 0.075 A 527 ILE H H 1 8.120 0.006 A 527 ILE HA H 1 4.038 0.006 A 527 ILE HB H 1 1.852 0.017 A 527 ILE HD11 H 1 0.856 0.006 A 527 ILE HD12 H 1 0.856 0.006 A 527 ILE HD13 H 1 0.856 0.006 A 527 ILE HG1y H 1 1.515 0.001 A 527 ILE HG1x H 1 1.154 0.014 A 527 ILE HG21 H 1 0.881 0.002 A 527 ILE HG22 H 1 0.881 0.002 A 527 ILE HG23 H 1 0.881 0.002 A 527 ILE C C 13 176.200 0.008 A 527 ILE CA C 13 61.768 0.051 A 527 ILE CB C 13 38.987 0.285 A 527 ILE CD1 C 13 13.832 0.000 A 527 ILE CG1 C 13 27.808 0.073 A 527 ILE CG2 C 13 17.880 0.120 A 527 ILE N N 15 118.716 0.063 A 528 GLY H H 1 8.262 0.007 A 528 GLY HAx H 1 3.954 0.022 A 528 GLY HAy H 1 3.954 0.022 A 528 GLY C C 13 173.960 0.008 A 528 GLY CA C 13 45.886 0.064 A 528 GLY N N 15 110.095 0.085 A 529 LEU H H 1 8.247 0.007 A 529 LEU HA H 1 4.222 0.017 A 529 LEU HBy H 1 1.577 0.021 A 529 LEU HBx H 1 1.425 0.000 A 529 LEU HDx% H 1 0.843 0.007 A 529 LEU HDy% H 1 0.831 0.000 A 529 LEU HG H 1 1.401 0.002 A 529 LEU C C 13 177.357 0.048 A 529 LEU CA C 13 55.425 0.095 A 529 LEU CB C 13 42.489 0.041 A 529 LEU CDy C 13 25.748 0.000 A 529 LEU CDx C 13 23.625 0.105 A 529 LEU CG C 13 27.040 0.000 A 529 LEU N N 15 119.671 0.067 A 530 ALA H H 1 8.163 0.012 A 530 ALA HA H 1 4.004 0.015 A 530 ALA HB% H 1 1.388 0.007 A 530 ALA C C 13 176.989 0.019 A 530 ALA CA C 13 53.935 0.148 A 530 ALA CB C 13 18.875 0.120 A 530 ALA N N 15 120.726 0.045 A 531 TRP H H 1 7.477 0.010 A 531 TRP HA H 1 4.475 0.005 A 531 TRP HBy H 1 3.423 0.014 A 531 TRP HBx H 1 3.227 0.008 A 531 TRP HD1 H 1 7.324 0.008 A 531 TRP HE1 H 1 10.362 0.007 A 531 TRP HE3 H 1 7.473 0.006 A 531 TRP HH2 H 1 7.064 0.008 A 531 TRP HZ2 H 1 7.402 0.002 A 531 TRP HZ3 H 1 6.926 0.001 A 531 TRP C C 13 175.923 0.014 A 531 TRP CA C 13 56.497 0.051 A 531 TRP CB C 13 29.517 0.047 A 531 TRP CD1 C 13 126.974 0.119 A 531 TRP CE3 C 13 121.425 0.058 A 531 TRP CH2 C 13 124.131 0.087 A 531 TRP CZ2 C 13 114.521 0.041 A 531 TRP CZ3 C 13 120.950 0.017 A 531 TRP N N 15 115.003 0.056 A 531 TRP NE1 N 15 130.395 0.025 A 532 ILE H H 1 7.303 0.014 A 532 ILE HA H 1 3.900 0.011 A 532 ILE HB H 1 1.719 0.010 A 532 ILE HD11 H 1 0.660 0.013 A 532 ILE HD12 H 1 0.660 0.013 A 532 ILE HD13 H 1 0.660 0.013 A 532 ILE HG1x H 1 1.144 0.003 A 532 ILE HG1y H 1 1.144 0.003 A 532 ILE HG21 H 1 0.830 0.007 A 532 ILE HG22 H 1 0.830 0.007 A 532 ILE HG23 H 1 0.830 0.007 A 532 ILE C C 13 175.964 0.000 A 532 ILE CA C 13 61.358 0.051 A 532 ILE CB C 13 37.651 0.025 A 532 ILE CD1 C 13 13.436 0.064 A 532 ILE CG2 C 13 17.359 0.046 A 532 ILE N N 15 121.632 0.014 A 533 PRO HA H 1 4.263 0.003 A 533 PRO HBy H 1 2.188 0.014 A 533 PRO HBx H 1 1.917 0.008 A 533 PRO HDy H 1 3.929 0.008 A 533 PRO HDx H 1 3.453 0.006 A 533 PRO HGx H 1 1.644 0.015 A 533 PRO HGy H 1 1.644 0.015 A 533 PRO C C 13 176.688 0.000 A 533 PRO CA C 13 64.103 0.070 A 533 PRO CB C 13 31.802 0.063 A 533 PRO CD C 13 50.704 0.056 A 533 PRO CG C 13 27.234 0.000 A 534 TYR H H 1 8.003 0.008 A 534 TYR HA H 1 4.052 0.007 A 534 TYR HBx H 1 2.922 0.007 A 534 TYR HDx H 1 6.829 0.006 A 534 TYR HDy H 1 6.829 0.006 A 534 TYR HEx H 1 6.740 0.005 A 534 TYR HEy H 1 6.740 0.005 A 534 TYR C C 13 176.172 0.000 A 534 TYR CA C 13 61.137 0.158 A 534 TYR CB C 13 38.298 0.110 A 534 TYR CDy C 13 132.729 0.083 A 534 TYR CEy C 13 118.199 0.034 A 534 TYR N N 15 115.767 0.090 A 535 PHE H H 1 8.510 0.016 A 535 PHE HA H 1 4.462 0.010 A 535 PHE HBy H 1 3.156 0.008 A 535 PHE HBx H 1 2.888 0.017 A 535 PHE HDx H 1 7.250 0.010 A 535 PHE HDy H 1 7.250 0.010 A 535 PHE HEx H 1 7.255 0.001 A 535 PHE HEy H 1 7.255 0.001 A 535 PHE HZ H 1 7.117 0.002 A 535 PHE C C 13 175.740 0.005 A 535 PHE CA C 13 58.654 0.122 A 535 PHE CB C 13 40.421 0.062 A 535 PHE CDx C 13 131.713 0.131 A 535 PHE CEx C 13 131.289 0.210 A 535 PHE CZ C 13 129.220 0.000 A 535 PHE N N 15 118.580 0.022 A 536 GLY H H 1 7.932 0.007 A 536 GLY HAy H 1 4.174 0.026 A 536 GLY HAx H 1 3.782 0.018 A 536 GLY C C 13 173.073 0.000 A 536 GLY CA C 13 47.035 0.108 A 536 GLY N N 15 107.115 0.123 A 537 PRO HA H 1 4.353 0.005 A 537 PRO HBy H 1 2.319 0.013 A 537 PRO HBx H 1 2.061 0.013 A 537 PRO HDy H 1 3.618 0.011 A 537 PRO HDx H 1 3.469 0.015 A 537 PRO HGy H 1 1.973 0.027 A 537 PRO HGx H 1 1.921 0.004 A 537 PRO C C 13 178.231 0.000 A 537 PRO CA C 13 64.466 0.105 A 537 PRO CB C 13 31.972 0.132 A 537 PRO CD C 13 50.382 0.033 A 537 PRO CG C 13 27.856 0.086 A 538 ALA H H 1 7.964 0.011 A 538 ALA HA H 1 4.233 0.003 A 538 ALA HB% H 1 1.416 0.009 A 538 ALA C C 13 178.222 0.013 A 538 ALA CA C 13 53.588 0.084 A 538 ALA CB C 13 18.897 0.066 A 538 ALA N N 15 120.681 0.062 A 539 ALA H H 1 8.086 0.008 A 539 ALA HA H 1 4.121 0.014 A 539 ALA HB% H 1 1.370 0.011 A 539 ALA C C 13 177.829 0.006 A 539 ALA CA C 13 53.489 0.109 A 539 ALA CB C 13 19.078 0.134 A 539 ALA N N 15 120.127 0.028 A 540 GLU H H 1 8.024 0.011 A 540 GLU HA H 1 4.089 0.008 A 540 GLU HBx H 1 2.048 0.013 A 540 GLU HGx H 1 2.271 0.010 A 540 GLU HGy H 1 2.271 0.010 A 540 GLU C C 13 177.433 0.006 A 540 GLU CA C 13 58.200 0.047 A 540 GLU CB C 13 30.042 0.013 A 540 GLU CG C 13 36.539 0.138 A 540 GLU N N 15 117.522 0.062 A 541 GLY H H 1 8.197 0.017 A 541 GLY HAx H 1 3.923 0.005 A 541 GLY HAy H 1 3.923 0.005 A 541 GLY C C 13 174.539 0.016 A 541 GLY CA C 13 46.040 0.115 A 541 GLY N N 15 107.393 0.044 A 542 ILE H H 1 7.754 0.012 A 542 ILE HA H 1 4.050 0.010 A 542 ILE HB H 1 1.865 0.007 A 542 ILE HD11 H 1 0.831 0.009 A 542 ILE HD12 H 1 0.831 0.009 A 542 ILE HD13 H 1 0.831 0.009 A 542 ILE HG1y H 1 1.507 0.006 A 542 ILE HG1x H 1 1.141 0.008 A 542 ILE HG21 H 1 0.872 0.000 A 542 ILE HG22 H 1 0.872 0.000 A 542 ILE HG23 H 1 0.872 0.000 A 542 ILE C C 13 175.882 0.009 A 542 ILE CA C 13 62.173 0.134 A 542 ILE CB C 13 38.554 0.103 A 542 ILE CD1 C 13 13.292 0.050 A 542 ILE CG1 C 13 27.868 0.085 A 542 ILE CG2 C 13 17.795 0.000 A 542 ILE N N 15 119.328 0.049 A 543 TYR H H 1 8.164 0.009 A 543 TYR HA H 1 4.503 0.008 A 543 TYR HBx H 1 2.962 0.018 A 543 TYR HBy H 1 3.091 0.011 A 543 TYR HDx H 1 7.056 0.006 A 543 TYR HDy H 1 7.056 0.006 A 543 TYR HEx H 1 6.784 0.010 A 543 TYR HEy H 1 6.784 0.010 A 543 TYR C C 13 176.009 0.032 A 543 TYR CA C 13 59.031 0.110 A 543 TYR CB C 13 38.890 0.103 A 543 TYR CDy C 13 133.004 0.047 A 543 TYR CEy C 13 118.304 0.099 A 543 TYR N N 15 122.539 0.069 A 544 ILE H H 1 8.066 0.012 A 544 ILE HA H 1 3.941 0.014 A 544 ILE HB H 1 1.887 0.010 A 544 ILE HD11 H 1 0.862 0.008 A 544 ILE HD12 H 1 0.862 0.008 A 544 ILE HD13 H 1 0.862 0.008 A 544 ILE HG1y H 1 1.582 0.017 A 544 ILE HG1x H 1 1.205 0.014 A 544 ILE HG21 H 1 0.891 0.000 A 544 ILE HG22 H 1 0.891 0.000 A 544 ILE HG23 H 1 0.891 0.000 A 544 ILE C C 13 176.620 0.024 A 544 ILE CA C 13 62.238 0.114 A 544 ILE CB C 13 38.498 0.137 A 544 ILE CG1 C 13 27.842 0.029 A 544 ILE CG2 C 13 18.010 0.000 A 544 ILE N N 15 120.761 0.070 A 545 GLU H H 1 8.432 0.007 A 545 GLU HA H 1 4.033 0.009 A 545 GLU HBx H 1 2.006 0.004 A 545 GLU HGx H 1 2.254 0.006 A 545 GLU HGy H 1 2.254 0.006 A 545 GLU C C 13 177.860 0.007 A 545 GLU CA C 13 58.554 0.087 A 545 GLU CB C 13 29.808 0.123 A 545 GLU CG C 13 36.417 0.072 A 545 GLU N N 15 122.322 0.103 A 546 GLY H H 1 8.147 0.006 A 546 GLY HAx H 1 3.901 0.008 A 546 GLY HAy H 1 3.901 0.008 A 546 GLY C C 13 174.685 0.032 A 546 GLY CA C 13 46.095 0.110 A 546 GLY N N 15 107.479 0.075 A 547 LEU H H 1 7.825 0.006 A 547 LEU HA H 1 4.282 0.016 A 547 LEU HBx H 1 1.627 0.014 A 547 LEU HDx% H 1 0.866 0.006 A 547 LEU HDy% H 1 0.855 0.006 A 547 LEU HG H 1 1.641 0.000 A 547 LEU C C 13 177.290 0.003 A 547 LEU CA C 13 56.170 0.013 A 547 LEU CB C 13 42.853 0.051 A 547 LEU CDy C 13 25.495 0.000 A 547 LEU CDx C 13 24.138 0.027 A 547 LEU CG C 13 27.166 0.068 A 547 LEU N N 15 120.035 0.050 A 548 MET H H 1 7.989 0.004 A 548 MET HA H 1 4.345 0.019 A 548 MET HBx H 1 1.989 0.008 A 548 MET HE1 H 1 2.013 0.004 A 548 MET HE2 H 1 2.013 0.004 A 548 MET HE3 H 1 2.013 0.004 A 548 MET HGy H 1 2.514 0.005 A 548 MET HGx H 1 2.465 0.010 A 548 MET C C 13 176.201 0.015 A 548 MET CA C 13 55.759 0.119 A 548 MET CB C 13 32.842 0.175 A 548 MET CE C 13 17.221 0.044 A 548 MET CG C 13 32.481 0.062 A 548 MET N N 15 115.999 0.059 A 549 HIS H H 1 8.070 0.009 A 549 HIS HA H 1 4.636 0.011 A 549 HIS HBy H 1 3.161 0.019 A 549 HIS HBx H 1 3.095 0.004 A 549 HIS HD2 H 1 7.064 0.007 A 549 HIS HE1 H 1 7.985 0.014 A 549 HIS C C 13 175.236 0.029 A 549 HIS CA C 13 56.676 0.084 A 549 HIS CB C 13 30.633 0.083 A 549 HIS CD2 C 13 119.955 0.248 A 549 HIS CE1 C 13 137.931 0.140 A 549 HIS N N 15 118.429 0.079 A 550 ASN H H 1 8.264 0.009 A 550 ASN HA H 1 4.681 0.014 A 550 ASN HBy H 1 2.837 0.000 A 550 ASN HBx H 1 2.776 0.000 A 550 ASN HD2y H 1 7.576 0.000 A 550 ASN HD2x H 1 6.882 0.000 A 550 ASN C C 13 175.490 0.006 A 550 ASN CA C 13 53.654 0.172 A 550 ASN CB C 13 39.012 0.048 A 550 ASN N N 15 118.991 0.023 A 550 ASN ND2 N 15 111.980 0.011 A 551 GLN H H 1 8.476 0.008 A 551 GLN HA H 1 4.308 0.009 A 551 GLN HBy H 1 2.171 0.033 A 551 GLN HBx H 1 1.973 0.025 A 551 GLN HE2y H 1 7.487 0.005 A 551 GLN HE2x H 1 6.771 0.005 A 551 GLN HGx H 1 2.330 0.017 A 551 GLN HGy H 1 2.330 0.017 A 551 GLN C C 13 175.822 0.030 A 551 GLN CA C 13 56.643 0.139 A 551 GLN CB C 13 29.066 0.034 A 551 GLN CG C 13 33.643 0.099 A 551 GLN N N 15 120.293 0.049 A 551 GLN NE2 N 15 111.677 0.077 A 552 ASP H H 1 8.313 0.004 A 552 ASP HA H 1 4.561 0.009 A 552 ASP HBx H 1 2.691 0.016 A 552 ASP C C 13 176.791 0.011 A 552 ASP CA C 13 55.323 0.124 A 552 ASP CB C 13 41.312 0.111 A 552 ASP N N 15 119.795 0.043 A 553 GLY H H 1 8.188 0.004 A 553 GLY HAx H 1 3.938 0.009 A 553 GLY HAy H 1 3.938 0.009 A 553 GLY C C 13 174.488 0.017 A 553 GLY CA C 13 45.853 0.065 A 553 GLY N N 15 108.046 0.070 A 554 LEU H H 1 8.208 0.014 A 554 LEU HA H 1 4.294 0.019 A 554 LEU HBx H 1 1.704 0.004 A 554 LEU HDx% H 1 0.872 0.008 A 554 LEU HG H 1 1.632 0.016 A 554 LEU C C 13 177.482 0.014 A 554 LEU CA C 13 56.499 0.042 A 554 LEU CB C 13 42.804 0.043 A 554 LEU CDx C 13 24.706 0.000 A 554 LEU CG C 13 27.176 0.070 A 554 LEU N N 15 121.617 0.024 A 555 ILE H H 1 8.122 0.005 A 555 ILE HA H 1 4.065 0.016 A 555 ILE HB H 1 1.934 0.024 A 555 ILE HD11 H 1 0.821 0.005 A 555 ILE HD12 H 1 0.821 0.005 A 555 ILE HD13 H 1 0.821 0.005 A 555 ILE HG1y H 1 1.542 0.007 A 555 ILE HG1x H 1 1.159 0.014 A 555 ILE HG21 H 1 0.862 0.005 A 555 ILE HG22 H 1 0.862 0.005 A 555 ILE HG23 H 1 0.862 0.005 A 555 ILE C C 13 176.531 0.008 A 555 ILE CA C 13 62.080 0.128 A 555 ILE CB C 13 38.160 0.038 A 555 ILE CD1 C 13 13.360 0.037 A 555 ILE CG1 C 13 28.423 0.000 A 555 ILE CG2 C 13 18.092 0.000 A 555 ILE N N 15 117.777 0.050 A 556 CYS H H 1 8.330 0.008 A 556 CYS HA H 1 4.554 0.010 A 556 CYS HBy H 1 3.178 0.008 A 556 CYS HBx H 1 3.020 0.036 A 556 CYS C C 13 175.354 0.009 A 556 CYS CA C 13 56.208 0.098 A 556 CYS CB C 13 41.139 0.152 A 556 CYS N N 15 119.677 0.073 A 557 GLY H H 1 8.236 0.004 A 557 GLY HAx H 1 3.937 0.010 A 557 GLY HAy H 1 3.937 0.010 A 557 GLY C C 13 173.846 0.016 A 557 GLY CA C 13 45.777 0.063 A 557 GLY N N 15 108.585 0.085 A 558 LEU H H 1 7.934 0.010 A 558 LEU HA H 1 4.299 0.003 A 558 LEU HBx H 1 1.696 0.008 A 558 LEU HDx% H 1 0.870 0.007 A 558 LEU HG H 1 1.659 0.025 A 558 LEU C C 13 176.883 0.007 A 558 LEU CA C 13 55.460 0.081 A 558 LEU CB C 13 42.753 0.067 A 558 LEU CDy C 13 25.361 0.132 A 558 LEU CDx C 13 23.812 0.000 A 558 LEU CG C 13 27.133 0.034 A 558 LEU N N 15 120.509 0.030 A 559 ARG H H 1 8.109 0.005 A 559 ARG HA H 1 4.356 0.006 A 559 ARG HBy H 1 1.915 0.014 A 559 ARG HBx H 1 1.759 0.002 A 559 ARG HDx H 1 3.165 0.007 A 559 ARG HDy H 1 3.165 0.007 A 559 ARG HGy H 1 1.675 0.014 A 559 ARG HGx H 1 1.608 0.031 A 559 ARG C C 13 175.184 0.004 A 559 ARG CA C 13 55.918 0.080 A 559 ARG CB C 13 31.046 0.187 A 559 ARG CD C 13 43.463 0.066 A 559 ARG CG C 13 27.296 0.063 A 559 ARG N N 15 120.139 0.098 A 560 GLN H H 1 7.922 0.004 A 560 GLN HA H 1 4.139 0.010 A 560 GLN HBy H 1 2.110 0.024 A 560 GLN HBx H 1 1.907 0.007 A 560 GLN HE2y H 1 7.510 0.004 A 560 GLN HE2x H 1 6.809 0.004 A 560 GLN HGx H 1 2.286 0.008 A 560 GLN HGy H 1 2.286 0.008 A 560 GLN C C 13 180.427 0.000 A 560 GLN CA C 13 57.450 0.156 A 560 GLN CB C 13 30.768 0.232 A 560 GLN CG C 13 34.731 0.277 A 560 GLN N N 15 126.050 0.059 A 560 GLN NE2 N 15 111.968 0.218 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 507 ALA HB% A 508 GLN H 1.0 1.8 5.50 2 2 A 507 ALA HB% A 508 GLN HBy 1.0 1.8 4.10 3 2 A 507 ALA HB% A 508 GLN HBx 1.0 1.8 4.10 4 3 A 508 GLN HA A 508 GLN HGx 1.0 1.8 4.20 5 3 A 508 GLN HA A 508 GLN HGy 1.0 1.8 4.20 6 4 A 508 GLN H A 509 PRO HBx 1.0 1.8 5.50 7 5 A 508 GLN HA A 509 PRO HDy 1.0 1.8 3.40 8 6 A 508 GLN H A 509 PRO HBy 1.0 1.8 5.50 9 7 A 508 GLN HA A 509 PRO HDx 1.0 1.8 3.40 10 8 A 508 GLN HE2x A 510 LYS HEx 1.0 1.8 5.40 11 8 A 508 GLN HE2y A 510 LYS HEx 1.0 1.8 5.40 12 8 A 510 LYS HEy A 508 GLN HE2y 1.0 1.8 5.40 13 8 A 508 GLN HE2x A 510 LYS HEy 1.0 1.8 5.40 14 9 A 508 GLN HE2y A 558 LEU HDx% 1.0 1.8 5.30 15 9 A 558 LEU HD21 A 508 GLN HE2y 1.0 1.8 5.30 16 9 A 508 GLN HE2x A 558 LEU HD21 1.0 1.8 5.30 17 9 A 508 GLN HE2x A 558 LEU HDx% 1.0 1.8 5.30 18 10 A 560 GLN HA A 508 GLN HBy 1.0 1.8 3.60 19 10 A 508 GLN HBx A 560 GLN HA 1.0 1.8 3.60 20 11 A 509 PRO HA A 510 LYS HEx 1.0 1.8 4.80 21 11 A 510 LYS HEy A 509 PRO HA 1.0 1.8 4.80 22 12 A 509 PRO HA A 510 LYS HBy 1.0 1.8 4.70 23 12 A 509 PRO HA A 510 LYS HBx 1.0 1.8 4.70 24 13 A 509 PRO HA A 510 LYS H 1.0 1.8 3.20 25 14 A 509 PRO HA A 510 LYS HGy 1.0 1.8 4.80 26 14 A 509 PRO HA A 510 LYS HGx 1.0 1.8 4.80 27 15 A 560 GLN HA A 509 PRO HDx 1.0 1.8 4.60 28 15 A 560 GLN HA A 509 PRO HDy 1.0 1.8 4.60 29 16 A 510 LYS H A 510 LYS HBy 1.0 1.8 3.50 30 16 A 510 LYS HBx A 510 LYS H 1.0 1.8 3.50 31 17 A 510 LYS H A 510 LYS HGy 1.0 1.8 4.00 32 17 A 510 LYS H A 510 LYS HGx 1.0 1.8 4.00 33 18 A 510 LYS HEx A 510 LYS HGy 1.0 1.8 3.60 34 18 A 510 LYS HEy A 510 LYS HGy 1.0 1.8 3.60 35 18 A 510 LYS HGx A 510 LYS HEx 1.0 1.8 3.60 36 18 A 510 LYS HEy A 510 LYS HGx 1.0 1.8 3.60 37 19 A 510 LYS HA A 512 ASN HD2x 1.0 1.8 4.90 38 19 A 510 LYS HA A 512 ASN HD2y 1.0 1.8 4.90 39 20 A 510 LYS HA A 557 GLY H 1.0 1.8 4.90 40 21 A 511 CYS HBx A 512 ASN H 1.0 1.8 5.50 41 22 A 511 CYS H A 512 ASN HA 1.0 1.8 5.40 42 23 A 512 ASN H A 511 CYS HBy 1.0 1.8 5.50 43 24 A 511 CYS H A 555 ILE HA 1.0 1.8 5.50 44 25 A 511 CYS H A 556 CYS HA 1.0 1.8 4.80 45 26 A 512 ASN HBy A 512 ASN HD2y 1.0 1.8 3.10 46 26 A 512 ASN HD2y A 512 ASN HBx 1.0 1.8 3.10 47 26 A 512 ASN HD2x A 512 ASN HBx 1.0 1.8 3.10 48 26 A 512 ASN HBy A 512 ASN HD2x 1.0 1.8 3.10 49 27 A 512 ASN HBx A 513 PRO HDx 1.0 1.8 4.30 50 27 A 512 ASN HBy A 513 PRO HDx 1.0 1.8 4.30 51 27 A 513 PRO HDy A 512 ASN HBx 1.0 1.8 4.30 52 27 A 512 ASN HBy A 513 PRO HDy 1.0 1.8 4.30 53 28 A 512 ASN HA A 513 PRO HGx 1.0 1.8 4.90 54 28 A 512 ASN HA A 513 PRO HGy 1.0 1.8 4.90 55 29 A 512 ASN HBy A 513 PRO HGy 1.0 1.8 5.00 56 29 A 512 ASN HBy A 513 PRO HGx 1.0 1.8 5.00 57 30 A 513 PRO HGy A 512 ASN HBx 1.0 1.8 5.00 58 30 A 512 ASN HBx A 513 PRO HGx 1.0 1.8 5.00 59 31 A 513 PRO HGy A 512 ASN HD2y 1.0 1.8 4.80 60 31 A 513 PRO HGy A 512 ASN HD2x 1.0 1.8 4.80 61 31 A 512 ASN HD2x A 513 PRO HGx 1.0 1.8 4.80 62 31 A 512 ASN HD2y A 513 PRO HGx 1.0 1.8 4.80 63 32 A 513 PRO HA A 512 ASN HBx 1.0 1.8 4.90 64 32 A 512 ASN HBy A 513 PRO HA 1.0 1.8 4.90 65 33 A 512 ASN HA A 513 PRO HBy 1.0 1.8 5.70 66 33 A 512 ASN HA A 513 PRO HBx 1.0 1.8 5.70 67 34 A 512 ASN HD2x A 513 PRO HGx 1.0 1.8 5.50 68 34 A 513 PRO HGy A 512 ASN HD2x 1.0 1.8 5.50 69 35 A 512 ASN H A 513 PRO HDx 1.0 1.8 5.40 70 35 A 512 ASN H A 513 PRO HDy 1.0 1.8 5.40 71 36 A 512 ASN HD2y A 513 PRO HGx 1.0 1.8 5.50 72 36 A 513 PRO HGy A 512 ASN HD2y 1.0 1.8 5.50 73 37 A 512 ASN HD2y A 513 PRO HDx 1.0 1.8 4.50 74 37 A 513 PRO HDy A 512 ASN HD2y 1.0 1.8 4.50 75 37 A 513 PRO HDy A 512 ASN HD2x 1.0 1.8 4.50 76 37 A 512 ASN HD2x A 513 PRO HDx 1.0 1.8 4.50 77 38 A 512 ASN HA A 513 PRO HDx 1.0 1.8 4.05 78 38 A 512 ASN HA A 513 PRO HDy 1.0 1.8 4.05 79 39 A 512 ASN HA A 514 ASN H 1.0 1.8 4.60 80 40 A 512 ASN HD2x A 555 ILE HG21 1.0 1.8 4.60 81 41 A 512 ASN HD2y A 555 ILE HG21 1.0 1.8 4.60 82 42 A 512 ASN HD2x A 555 ILE HG1x 1.0 1.8 4.40 83 42 A 512 ASN HD2y A 555 ILE HG1y 1.0 1.8 4.40 84 42 A 512 ASN HD2x A 555 ILE HG1y 1.0 1.8 4.40 85 42 A 512 ASN HD2y A 555 ILE HG1x 1.0 1.8 4.40 86 43 A 512 ASN HBy A 555 ILE HG21 1.0 1.8 4.70 87 44 A 555 ILE HG21 A 512 ASN HBx 1.0 1.8 4.70 88 45 A 512 ASN HD2y A 555 ILE HG21 1.0 1.8 3.90 89 45 A 512 ASN HD2x A 555 ILE HG21 1.0 1.8 3.90 90 46 A 512 ASN HA A 555 ILE HG21 1.0 1.8 5.00 91 47 A 512 ASN HBy A 555 ILE HG1x 1.0 1.8 4.20 92 47 A 512 ASN HBx A 555 ILE HG1x 1.0 1.8 4.20 93 47 A 555 ILE HG1y A 512 ASN HBx 1.0 1.8 4.20 94 47 A 512 ASN HBy A 555 ILE HG1y 1.0 1.8 4.20 95 48 A 555 ILE HG21 A 512 ASN HBx 1.0 1.8 4.00 96 48 A 512 ASN HBy A 555 ILE HG21 1.0 1.8 4.00 97 49 A 556 CYS HA A 512 ASN HD2y 1.0 1.8 4.70 98 49 A 556 CYS HA A 512 ASN HD2x 1.0 1.8 4.70 99 50 A 514 ASN H A 513 PRO HDx 1.0 1.8 4.30 100 50 A 513 PRO HDy A 514 ASN H 1.0 1.8 4.30 101 51 A 513 PRO HA A 514 ASN H 1.0 1.8 3.50 102 52 A 514 ASN HD2y A 513 PRO HGx 1.0 1.8 4.80 103 52 A 513 PRO HGy A 514 ASN HD2y 1.0 1.8 4.80 104 53 A 514 ASN HD2x A 513 PRO HGx 1.0 1.8 4.80 105 53 A 513 PRO HGy A 514 ASN HD2x 1.0 1.8 4.80 106 54 A 514 ASN H A 513 PRO HBy 1.0 1.8 4.00 107 54 A 513 PRO HBx A 514 ASN H 1.0 1.8 4.00 108 55 A 514 ASN H A 513 PRO HGx 1.0 1.8 3.90 109 55 A 513 PRO HGy A 514 ASN H 1.0 1.8 3.90 110 56 A 515 LEU HDy% A 513 PRO HDx 1.0 1.8 5.00 111 56 A 513 PRO HDx A 515 LEU HDx% 1.0 1.8 5.00 112 57 A 513 PRO HGy A 515 LEU HDx% 1.0 1.8 4.20 113 57 A 513 PRO HGx A 515 LEU HDx% 1.0 1.8 4.20 114 57 A 515 LEU HDy% A 513 PRO HGx 1.0 1.8 4.20 115 57 A 513 PRO HGy A 515 LEU HDy% 1.0 1.8 4.20 116 58 A 513 PRO HBy A 515 LEU HDx% 1.0 1.8 4.80 117 58 A 513 PRO HBx A 515 LEU HDx% 1.0 1.8 4.80 118 58 A 515 LEU HDy% A 513 PRO HBy 1.0 1.8 4.80 119 58 A 513 PRO HBx A 515 LEU HDy% 1.0 1.8 4.80 120 59 A 513 PRO HDy A 515 LEU HDy% 1.0 1.8 5.00 121 59 A 513 PRO HDy A 515 LEU HDx% 1.0 1.8 5.00 122 60 A 513 PRO HDx A 515 LEU HDx% 1.0 1.8 4.40 123 60 A 513 PRO HDy A 515 LEU HDx% 1.0 1.8 4.40 124 60 A 515 LEU HDy% A 513 PRO HDx 1.0 1.8 4.40 125 60 A 513 PRO HDy A 515 LEU HDy% 1.0 1.8 4.40 126 61 A 518 TRP HE1 A 513 PRO HBy 1.0 1.8 5.10 127 61 A 513 PRO HBx A 518 TRP HE1 1.0 1.8 5.10 128 62 A 519 THR H A 513 PRO HBy 1.0 1.8 5.40 129 62 A 513 PRO HBx A 519 THR H 1.0 1.8 5.40 130 63 A 514 ASN HD2x A 514 ASN HBy 1.0 1.8 2.80 131 63 A 514 ASN HD2y A 514 ASN HBx 1.0 1.8 2.80 132 63 A 514 ASN HD2x A 514 ASN HBx 1.0 1.8 2.80 133 63 A 514 ASN HD2y A 514 ASN HBy 1.0 1.8 2.80 134 64 A 514 ASN H A 514 ASN HD2x 1.0 1.8 5.20 135 65 A 514 ASN H A 514 ASN HBy 1.0 1.8 3.90 136 66 A 514 ASN H A 514 ASN HBx 1.0 1.8 3.40 137 66 A 514 ASN H A 514 ASN HBy 1.0 1.8 3.40 138 67 A 514 ASN H A 514 ASN HD2y 1.0 1.8 5.20 139 68 A 514 ASN H A 514 ASN HBx 1.0 1.8 3.90 140 69 A 514 ASN HD2y A 515 LEU HDx% 1.0 1.8 4.20 141 69 A 514 ASN HD2y A 515 LEU HDy% 1.0 1.8 4.20 142 69 A 514 ASN HD2x A 515 LEU HDy% 1.0 1.8 4.20 143 69 A 514 ASN HD2x A 515 LEU HDx% 1.0 1.8 4.20 144 70 A 515 LEU H A 514 ASN HBx 1.0 1.8 4.30 145 70 A 514 ASN HBy A 515 LEU H 1.0 1.8 4.30 146 71 A 514 ASN H A 515 LEU HDx% 1.0 1.8 4.90 147 71 A 514 ASN H A 515 LEU HDy% 1.0 1.8 4.90 148 72 A 514 ASN H A 515 LEU HBx 1.0 1.8 4.60 149 72 A 514 ASN H A 515 LEU HBy 1.0 1.8 4.60 150 73 A 515 LEU H A 514 ASN HA 1.0 1.8 3.50 151 74 A 514 ASN H A 515 LEU H 1.0 1.8 4.10 152 75 A 514 ASN HA A 518 TRP HBx 1.0 1.8 4.60 153 75 A 514 ASN HA A 518 TRP HBy 1.0 1.8 4.60 154 76 A 514 ASN HD2y A 552 ASP HA 1.0 1.8 4.30 155 77 A 514 ASN HD2y A 552 ASP HA 1.0 1.8 3.80 156 77 A 514 ASN HD2x A 552 ASP HA 1.0 1.8 3.80 157 78 A 514 ASN HD2x A 552 ASP HA 1.0 1.8 4.30 158 79 A 514 ASN HD2y A 554 LEU HD21 1.0 1.8 4.20 159 79 A 514 ASN HD2x A 554 LEU HDx% 1.0 1.8 4.20 160 79 A 514 ASN HD2x A 554 LEU HD21 1.0 1.8 4.20 161 79 A 514 ASN HD2y A 554 LEU HDx% 1.0 1.8 4.20 162 80 A 514 ASN HD2x A 554 LEU HG 1.0 1.8 5.20 163 81 A 514 ASN HD2y A 554 LEU HG 1.0 1.8 5.20 164 82 A 515 LEU H A 515 LEU HDx% 1.0 1.8 4.10 165 82 A 515 LEU HDy% A 515 LEU H 1.0 1.8 4.10 166 83 A 515 LEU HA A 515 LEU HDx% 1.0 1.8 2.80 167 83 A 515 LEU HDy% A 515 LEU HA 1.0 1.8 2.80 168 84 A 515 LEU H A 515 LEU HBx 1.0 1.8 3.20 169 84 A 515 LEU H A 515 LEU HBy 1.0 1.8 3.20 170 85 A 515 LEU HA A 515 LEU HDx% 1.0 1.8 2.80 171 85 A 515 LEU HDy% A 515 LEU HA 1.0 1.8 2.80 172 86 A 515 LEU H A 515 LEU HDx% 1.0 1.8 4.10 173 86 A 515 LEU HDy% A 515 LEU H 1.0 1.8 4.10 174 87 A 515 LEU HA A 516 HIS HBx 1.0 1.8 5.20 175 87 A 515 LEU HA A 516 HIS HBy 1.0 1.8 5.20 176 88 A 515 LEU HDy% A 516 HIS HBx 1.0 1.8 5.30 177 88 A 515 LEU HDx% A 516 HIS HBx 1.0 1.8 5.30 178 88 A 516 HIS HBy A 515 LEU HDx% 1.0 1.8 5.30 179 88 A 515 LEU HDy% A 516 HIS HBy 1.0 1.8 5.30 180 89 A 516 HIS HA A 515 LEU HDx% 1.0 1.8 4.90 181 89 A 515 LEU HDy% A 516 HIS HA 1.0 1.8 4.90 182 90 A 517 TYR HD% A 515 LEU HBx 1.0 1.8 4.70 183 90 A 515 LEU HBy A 517 TYR HD% 1.0 1.8 4.70 184 91 A 517 TYR HD% A 515 LEU HDx% 1.0 1.8 4.40 185 91 A 515 LEU HDy% A 517 TYR HD% 1.0 1.8 4.40 186 92 A 517 TYR HE% A 515 LEU HDx% 1.0 1.8 4.00 187 92 A 515 LEU HDy% A 517 TYR HE% 1.0 1.8 4.00 188 93 A 517 TYR HE% A 515 LEU HBx 1.0 1.8 4.90 189 93 A 515 LEU HBy A 517 TYR HE% 1.0 1.8 4.90 190 94 A 517 TYR H A 515 LEU HDx% 1.0 1.8 5.10 191 94 A 515 LEU HDy% A 517 TYR H 1.0 1.8 5.10 192 95 A 517 TYR HA A 515 LEU HDx% 1.0 1.8 5.50 193 95 A 515 LEU HDy% A 517 TYR HA 1.0 1.8 5.50 194 96 A 515 LEU HDx% A 518 TRP HBx 1.0 1.8 5.40 195 96 A 515 LEU HDy% A 518 TRP HBx 1.0 1.8 5.40 196 96 A 518 TRP HBy A 515 LEU HDx% 1.0 1.8 5.40 197 96 A 515 LEU HDy% A 518 TRP HBy 1.0 1.8 5.40 198 97 A 518 TRP HE1 A 515 LEU HDx% 1.0 1.8 4.20 199 97 A 515 LEU HDy% A 518 TRP HE1 1.0 1.8 4.20 200 98 A 518 TRP HE1 A 515 LEU HDx% 1.0 1.8 4.20 201 98 A 515 LEU HDy% A 518 TRP HE1 1.0 1.8 4.20 202 99 A 518 TRP HE1 A 515 LEU HBx 1.0 1.8 5.20 203 99 A 518 TRP HE1 A 515 LEU HBy 1.0 1.8 5.20 204 100 A 518 TRP H A 515 LEU HDx% 1.0 1.8 5.10 205 100 A 515 LEU HDy% A 518 TRP H 1.0 1.8 5.10 206 101 A 518 TRP HZ2 A 515 LEU HDx% 1.0 1.8 3.80 207 101 A 515 LEU HDy% A 518 TRP HZ2 1.0 1.8 3.80 208 102 A 518 TRP HD1 A 515 LEU HBx 1.0 1.8 5.00 209 102 A 515 LEU HBy A 518 TRP HD1 1.0 1.8 5.00 210 103 A 519 THR H A 515 LEU HDx% 1.0 1.8 5.50 211 103 A 515 LEU HDy% A 519 THR H 1.0 1.8 5.50 212 104 A 516 HIS H A 516 HIS HD2 1.0 1.8 5.50 213 105 A 516 HIS HD2 A 516 HIS HBx 1.0 1.8 3.80 214 105 A 516 HIS HBy A 516 HIS HD2 1.0 1.8 3.80 215 106 A 516 HIS HA A 516 HIS HD2 1.0 1.8 4.70 216 107 A 516 HIS HE1 A 516 HIS HBx 1.0 1.8 5.30 217 107 A 516 HIS HBy A 516 HIS HE1 1.0 1.8 5.30 218 108 A 517 TYR HA A 516 HIS HD2 1.0 1.8 4.50 219 109 A 516 HIS HD2 A 517 TYR HBx 1.0 1.8 4.70 220 109 A 516 HIS HD2 A 517 TYR HBy 1.0 1.8 4.70 221 110 A 517 TYR H A 516 HIS HBx 1.0 1.8 4.10 222 110 A 516 HIS HBy A 517 TYR H 1.0 1.8 4.10 223 111 A 518 TRP HE1 A 516 HIS HE1 1.0 1.8 5.00 224 112 A 516 HIS HD2 A 519 THR HG21 1.0 1.8 4.80 225 113 A 519 THR HG21 A 516 HIS HBx 1.0 1.8 5.40 226 113 A 516 HIS HBy A 519 THR HG21 1.0 1.8 5.40 227 114 A 519 THR H A 516 HIS HBx 1.0 1.8 5.50 228 114 A 519 THR H A 516 HIS HBy 1.0 1.8 5.50 229 115 A 516 HIS HA A 520 THR H 1.0 1.8 4.40 230 116 A 520 THR H A 516 HIS HBx 1.0 1.8 5.20 231 116 A 516 HIS HBy A 520 THR H 1.0 1.8 5.20 232 117 A 516 HIS HA A 520 THR HG21 1.0 1.8 5.10 233 118 A 517 TYR HD% A 517 TYR HA 1.0 1.8 3.60 234 119 A 517 TYR HD% A 517 TYR H 1.0 1.8 4.30 235 120 A 517 TYR H A 517 TYR HBx 1.0 1.8 3.70 236 120 A 517 TYR H A 517 TYR HBy 1.0 1.8 3.70 237 121 A 517 TYR HD% A 518 TRP HD1 1.0 1.8 4.50 238 122 A 518 TRP HE1 A 517 TYR HD% 1.0 1.8 4.60 239 123 A 517 TYR HD% A 518 TRP H 1.0 1.8 4.60 240 124 A 518 TRP H A 517 TYR HBx 1.0 1.8 3.80 241 124 A 518 TRP H A 517 TYR HBy 1.0 1.8 3.80 242 125 A 518 TRP HE1 A 517 TYR HBx 1.0 1.8 4.80 243 125 A 518 TRP HE1 A 517 TYR HBy 1.0 1.8 4.80 244 126 A 518 TRP HE1 A 517 TYR HA 1.0 1.8 5.10 245 127 A 518 TRP HD1 A 517 TYR HBx 1.0 1.8 4.60 246 127 A 518 TRP HD1 A 517 TYR HBy 1.0 1.8 4.60 247 128 A 519 THR H A 517 TYR HBx 1.0 1.8 5.10 248 128 A 519 THR H A 517 TYR HBy 1.0 1.8 5.10 249 129 A 517 TYR HD% A 519 THR HG21 1.0 1.8 5.40 250 130 A 519 THR H A 517 TYR HD% 1.0 1.8 5.50 251 131 A 517 TYR HA A 521 GLN HBy 1.0 1.8 5.10 252 131 A 517 TYR HA A 521 GLN HBx 1.0 1.8 5.10 253 132 A 517 TYR HA A 521 GLN HGx 1.0 1.8 5.20 254 132 A 517 TYR HA A 521 GLN HGy 1.0 1.8 5.20 255 133 A 518 TRP HE1 A 518 TRP H 1.0 1.8 5.50 256 134 A 518 TRP HD1 A 518 TRP HBx 1.0 1.8 3.80 257 134 A 518 TRP HBy A 518 TRP HD1 1.0 1.8 3.80 258 135 A 518 TRP HD1 A 518 TRP HA 1.0 1.8 4.58 259 136 A 518 TRP H A 518 TRP HD1 1.0 1.8 4.20 260 137 A 518 TRP HE1 A 518 TRP HBx 1.0 1.8 5.10 261 138 A 518 TRP HE1 A 518 TRP HBy 1.0 1.8 5.10 262 139 A 518 TRP HE1 A 518 TRP HBx 1.0 1.8 4.40 263 139 A 518 TRP HE1 A 518 TRP HBy 1.0 1.8 4.40 264 140 A 518 TRP H A 518 TRP HBx 1.0 1.8 3.80 265 140 A 518 TRP HBy A 518 TRP H 1.0 1.8 3.80 266 141 A 519 THR HG21 A 518 TRP HBx 1.0 1.8 5.50 267 142 A 518 TRP HD1 A 519 THR HG21 1.0 1.8 4.40 268 143 A 519 THR HB A 518 TRP HBx 1.0 1.8 5.20 269 143 A 518 TRP HBy A 519 THR HB 1.0 1.8 5.20 270 144 A 519 THR HA A 518 TRP HBx 1.0 1.8 5.40 271 144 A 518 TRP HBy A 519 THR HA 1.0 1.8 5.40 272 145 A 519 THR H A 518 TRP HA 1.0 1.8 3.50 273 146 A 518 TRP HBy A 519 THR HG21 1.0 1.8 5.50 274 147 A 519 THR H A 518 TRP HD1 1.0 1.8 4.90 275 148 A 518 TRP H A 519 THR HG21 1.0 1.8 4.90 276 149 A 519 THR H A 518 TRP HBx 1.0 1.8 4.10 277 149 A 519 THR H A 518 TRP HBy 1.0 1.8 4.10 278 150 A 518 TRP HD1 A 520 THR H 1.0 1.8 5.50 279 151 A 520 THR H A 518 TRP HBx 1.0 1.8 5.50 280 152 A 518 TRP HBy A 520 THR H 1.0 1.8 5.50 281 153 A 520 THR H A 518 TRP HA 1.0 1.8 4.20 282 154 A 518 TRP HE1 A 523 GLU HGx 1.0 1.8 5.30 283 154 A 518 TRP HE1 A 523 GLU HGy 1.0 1.8 5.30 284 155 A 518 TRP HE1 A 541 GLY HAx 1.0 1.8 5.20 285 155 A 518 TRP HE1 A 541 GLY HAy 1.0 1.8 5.20 286 156 A 518 TRP HE1 A 542 ILE HG1x 1.0 1.8 4.40 287 156 A 518 TRP HE1 A 542 ILE HG1y 1.0 1.8 4.40 288 157 A 519 THR HG21 A 519 THR HA 1.0 1.8 3.50 289 158 A 519 THR H A 519 THR HB 1.0 1.8 3.90 290 159 A 519 THR H A 519 THR HG21 1.0 1.8 3.60 291 160 A 520 THR H A 519 THR HA 1.0 1.8 3.40 292 161 A 519 THR H A 521 GLN HGx 1.0 1.8 5.50 293 161 A 519 THR H A 521 GLN HGy 1.0 1.8 5.50 294 162 A 520 THR H A 520 THR HB 1.0 1.8 3.60 295 163 A 520 THR H A 520 THR HG21 1.0 1.8 3.60 296 164 A 520 THR HG21 A 520 THR HA 1.0 1.8 3.70 297 165 A 520 THR HB A 521 GLN HBy 1.0 1.8 4.90 298 165 A 521 GLN HBx A 520 THR HB 1.0 1.8 4.90 299 166 A 520 THR HG21 A 521 GLN H 1.0 1.8 4.30 300 167 A 520 THR HG21 A 521 GLN HE2y 1.0 1.8 5.00 301 167 A 520 THR HG21 A 521 GLN HE2x 1.0 1.8 5.00 302 168 A 520 THR HG21 A 521 GLN HBy 1.0 1.8 4.40 303 168 A 520 THR HG21 A 521 GLN HBx 1.0 1.8 4.40 304 169 A 520 THR HG21 A 521 GLN HA 1.0 1.8 4.60 305 170 A 520 THR H A 521 GLN H 1.0 1.8 4.80 306 171 A 520 THR HB A 521 GLN H 1.0 1.8 4.80 307 172 A 520 THR HB A 521 GLN HGx 1.0 1.8 5.00 308 172 A 521 GLN HGy A 520 THR HB 1.0 1.8 5.00 309 173 A 520 THR HG21 A 522 ASP H 1.0 1.8 4.70 310 174 A 520 THR H A 523 GLU HGx 1.0 1.8 5.50 311 174 A 520 THR H A 523 GLU HGy 1.0 1.8 5.50 312 175 A 520 THR HG21 A 523 GLU H 1.0 1.8 5.10 313 176 A 521 GLN H A 521 GLN HBy 1.0 1.8 3.60 314 176 A 521 GLN HBx A 521 GLN H 1.0 1.8 3.60 315 177 A 521 GLN HBx A 521 GLN H 1.0 1.8 4.10 316 178 A 521 GLN H A 521 GLN HGx 1.0 1.8 4.00 317 178 A 521 GLN HGy A 521 GLN H 1.0 1.8 4.00 318 179 A 521 GLN HGy A 521 GLN HE2y 1.0 1.8 3.10 319 179 A 521 GLN HE2y A 521 GLN HGx 1.0 1.8 3.10 320 179 A 521 GLN HGy A 521 GLN HE2x 1.0 1.8 3.10 321 179 A 521 GLN HE2x A 521 GLN HGx 1.0 1.8 3.10 322 180 A 521 GLN HE2y A 521 GLN HBy 1.0 1.8 4.40 323 180 A 521 GLN HBx A 521 GLN HE2x 1.0 1.8 4.40 324 180 A 521 GLN HBx A 521 GLN HE2y 1.0 1.8 4.40 325 180 A 521 GLN HE2x A 521 GLN HBy 1.0 1.8 4.40 326 181 A 521 GLN H A 521 GLN HBy 1.0 1.8 4.10 327 182 A 521 GLN HA A 521 GLN HGx 1.0 1.8 3.50 328 182 A 521 GLN HGy A 521 GLN HA 1.0 1.8 3.50 329 183 A 521 GLN HA A 522 ASP HBx 1.0 1.8 5.10 330 183 A 521 GLN HA A 522 ASP HBy 1.0 1.8 5.10 331 184 A 522 ASP HA A 521 GLN HE2y 1.0 1.8 4.40 332 184 A 522 ASP HA A 521 GLN HE2x 1.0 1.8 4.40 333 185 A 522 ASP HA A 521 GLN HBy 1.0 1.8 4.50 334 185 A 521 GLN HBx A 522 ASP HA 1.0 1.8 4.50 335 186 A 522 ASP H A 521 GLN HBy 1.0 1.8 3.90 336 187 A 521 GLN HBx A 522 ASP H 1.0 1.8 3.90 337 188 A 521 GLN HA A 522 ASP H 1.0 1.8 3.10 338 189 A 522 ASP H A 521 GLN HGx 1.0 1.8 4.20 339 189 A 521 GLN HGy A 522 ASP H 1.0 1.8 4.20 340 190 A 523 GLU HGy A 521 GLN HE2y 1.0 1.8 5.30 341 190 A 521 GLN HE2x A 523 GLU HGx 1.0 1.8 5.30 342 190 A 523 GLU HGy A 521 GLN HE2x 1.0 1.8 5.30 343 190 A 521 GLN HE2y A 523 GLU HGx 1.0 1.8 5.30 344 191 A 525 ALA HA A 521 GLN HE2y 1.0 1.8 4.60 345 191 A 525 ALA HA A 521 GLN HE2x 1.0 1.8 4.60 346 192 A 525 ALA HB% A 521 GLN HE2y 1.0 1.8 5.00 347 192 A 525 ALA HB% A 521 GLN HE2x 1.0 1.8 5.00 348 193 A 527 ILE H A 521 GLN HE2y 1.0 1.8 4.80 349 193 A 527 ILE H A 521 GLN HE2x 1.0 1.8 4.80 350 194 A 527 ILE H A 521 GLN HE2y 1.0 1.8 5.50 351 195 A 527 ILE H A 521 GLN HE2x 1.0 1.8 5.50 352 196 A 521 GLN HE2y A 527 ILE HD11 1.0 1.8 5.00 353 196 A 521 GLN HE2x A 527 ILE HD11 1.0 1.8 5.00 354 197 A 522 ASP H A 522 ASP HBx 1.0 1.8 3.40 355 197 A 522 ASP H A 522 ASP HBy 1.0 1.8 3.40 356 198 A 523 GLU HA A 522 ASP HBx 1.0 1.8 5.30 357 198 A 522 ASP HBy A 523 GLU HA 1.0 1.8 5.30 358 199 A 523 GLU H A 522 ASP HA 1.0 1.8 3.00 359 200 A 523 GLU H A 522 ASP HBx 1.0 1.8 3.60 360 200 A 523 GLU H A 522 ASP HBy 1.0 1.8 3.60 361 201 A 524 GLY H A 522 ASP HBx 1.0 1.8 4.80 362 201 A 522 ASP HBy A 524 GLY H 1.0 1.8 4.80 363 202 A 524 GLY H A 522 ASP HBx 1.0 1.8 4.80 364 202 A 522 ASP HBy A 524 GLY H 1.0 1.8 4.80 365 203 A 525 ALA HB% A 522 ASP HBx 1.0 1.8 4.80 366 204 A 522 ASP HBy A 525 ALA HB% 1.0 1.8 4.80 367 205 A 522 ASP H A 525 ALA HB% 1.0 1.8 4.50 368 206 A 525 ALA H A 522 ASP HBx 1.0 1.8 4.90 369 206 A 522 ASP HBy A 525 ALA H 1.0 1.8 4.90 370 207 A 522 ASP HA A 525 ALA H 1.0 1.8 4.20 371 208 A 523 GLU H A 523 GLU HBx 1.0 1.8 3.46 372 208 A 523 GLU H A 523 GLU HBy 1.0 1.8 3.46 373 209 A 523 GLU H A 523 GLU HGx 1.0 1.8 3.30 374 209 A 523 GLU HGy A 523 GLU H 1.0 1.8 3.30 375 210 A 523 GLU HA A 523 GLU HGx 1.0 1.8 3.60 376 210 A 523 GLU HGy A 523 GLU HA 1.0 1.8 3.60 377 211 A 524 GLY H A 523 GLU HGx 1.0 1.8 4.20 378 211 A 523 GLU HGy A 524 GLY H 1.0 1.8 4.20 379 212 A 523 GLU HA A 524 GLY H 1.0 1.8 3.20 380 213 A 524 GLY H A 523 GLU HBx 1.0 1.8 4.00 381 213 A 524 GLY H A 523 GLU HBy 1.0 1.8 4.00 382 214 A 525 ALA H A 523 GLU HBx 1.0 1.8 4.90 383 214 A 525 ALA H A 523 GLU HBy 1.0 1.8 4.90 384 215 A 525 ALA H A 523 GLU HGx 1.0 1.8 5.10 385 215 A 523 GLU HGy A 525 ALA H 1.0 1.8 5.10 386 216 A 524 GLY H A 524 GLY HAx 1.0 1.8 2.90 387 216 A 524 GLY H A 524 GLY HAy 1.0 1.8 2.90 388 217 A 524 GLY H A 525 ALA H 1.0 1.8 3.70 389 218 A 525 ALA HB% A 524 GLY H 1.0 1.8 4.50 390 219 A 525 ALA H A 524 GLY HAx 1.0 1.8 3.00 391 219 A 525 ALA H A 524 GLY HAy 1.0 1.8 3.00 392 220 A 525 ALA HA A 524 GLY HAx 1.0 1.8 4.40 393 220 A 525 ALA HA A 524 GLY HAy 1.0 1.8 4.40 394 221 A 526 ALA H A 524 GLY HAx 1.0 1.8 4.10 395 221 A 524 GLY HAy A 526 ALA H 1.0 1.8 4.10 396 222 A 527 ILE HD11 A 524 GLY H 1.0 1.8 5.20 397 223 A 524 GLY HAy A 527 ILE HG1x 1.0 1.8 4.60 398 223 A 524 GLY HAx A 527 ILE HG1x 1.0 1.8 4.60 399 223 A 527 ILE HG1y A 524 GLY HAx 1.0 1.8 4.60 400 223 A 524 GLY HAy A 527 ILE HG1y 1.0 1.8 4.60 401 224 A 527 ILE H A 524 GLY HAx 1.0 1.8 5.50 402 224 A 527 ILE H A 524 GLY HAy 1.0 1.8 5.50 403 225 A 524 GLY H A 527 ILE HG1x 1.0 1.8 5.10 404 225 A 524 GLY H A 527 ILE HG1y 1.0 1.8 5.10 405 226 A 524 GLY HAy A 529 LEU HDx% 1.0 1.8 3.80 406 226 A 529 LEU HDy% A 524 GLY HAx 1.0 1.8 3.80 407 226 A 524 GLY HAy A 529 LEU HDy% 1.0 1.8 3.80 408 226 A 524 GLY HAx A 529 LEU HDx% 1.0 1.8 3.80 409 227 A 525 ALA HB% A 525 ALA H 1.0 1.8 2.80 410 228 A 525 ALA H A 526 ALA H 1.0 1.8 3.60 411 229 A 525 ALA HA A 527 ILE H 1.0 1.8 3.81 412 230 A 527 ILE HD11 A 525 ALA H 1.0 1.8 5.00 413 231 A 525 ALA HA A 527 ILE HG1x 1.0 1.8 5.00 414 231 A 525 ALA HA A 527 ILE HG1y 1.0 1.8 5.00 415 232 A 525 ALA HB% A 528 GLY H 1.0 1.8 4.77 416 233 A 526 ALA H A 526 ALA HA 1.0 1.8 2.70 417 234 A 526 ALA H A 526 ALA HB% 1.0 1.8 2.70 418 235 A 527 ILE H A 526 ALA HB% 1.0 1.8 3.56 419 236 A 527 ILE HD11 A 526 ALA HA 1.0 1.8 4.20 420 237 A 527 ILE HD11 A 526 ALA H 1.0 1.8 4.00 421 238 A 527 ILE H A 526 ALA HA 1.0 1.8 3.00 422 239 A 526 ALA HA A 527 ILE HG1x 1.0 1.8 4.60 423 239 A 527 ILE HG1y A 526 ALA HA 1.0 1.8 4.60 424 240 A 527 ILE H A 527 ILE HG1y 1.0 1.8 3.60 425 241 A 527 ILE H A 527 ILE HD11 1.0 1.8 3.30 426 242 A 527 ILE H A 527 ILE HB 1.0 1.8 3.40 427 243 A 527 ILE H A 527 ILE HG1x 1.0 1.8 3.60 428 244 A 527 ILE HA A 527 ILE HG21 1.0 1.8 3.10 429 245 A 528 GLY H A 527 ILE HB 1.0 1.8 3.90 430 246 A 528 GLY H A 527 ILE HG1x 1.0 1.8 4.40 431 246 A 527 ILE HG1y A 528 GLY H 1.0 1.8 4.40 432 247 A 527 ILE HD11 A 528 GLY H 1.0 1.8 3.60 433 248 A 527 ILE HB A 529 LEU H 1.0 1.8 5.10 434 249 A 527 ILE HD11 A 531 TRP HH2 1.0 1.8 4.90 435 250 A 527 ILE HB A 531 TRP HE1 1.0 1.8 5.10 436 251 A 529 LEU H A 528 GLY HAx 1.0 1.8 3.30 437 251 A 529 LEU H A 528 GLY HAy 1.0 1.8 3.30 438 252 A 528 GLY H A 529 LEU HBy 1.0 1.8 4.20 439 252 A 528 GLY H A 529 LEU HBx 1.0 1.8 4.20 440 253 A 531 TRP HD1 A 528 GLY HAx 1.0 1.8 5.20 441 253 A 528 GLY HAy A 531 TRP HD1 1.0 1.8 5.20 442 254 A 528 GLY H A 531 TRP HD1 1.0 1.8 5.20 443 255 A 531 TRP HE1 A 528 GLY HAx 1.0 1.8 4.30 444 255 A 531 TRP HE1 A 528 GLY HAy 1.0 1.8 4.30 445 256 A 528 GLY H A 531 TRP HE1 1.0 1.8 5.50 446 257 A 529 LEU H A 529 LEU HBy 1.0 1.8 3.30 447 257 A 529 LEU H A 529 LEU HBx 1.0 1.8 3.30 448 258 A 529 LEU H A 529 LEU HDx% 1.0 1.8 3.50 449 258 A 529 LEU HDy% A 529 LEU H 1.0 1.8 3.50 450 259 A 530 ALA H A 529 LEU HDx% 1.0 1.8 3.70 451 259 A 529 LEU HDy% A 530 ALA H 1.0 1.8 3.70 452 260 A 529 LEU HA A 530 ALA HA 1.0 1.8 4.50 453 261 A 530 ALA H A 529 LEU HBy 1.0 1.8 3.60 454 261 A 529 LEU HBx A 530 ALA H 1.0 1.8 3.60 455 262 A 530 ALA H A 529 LEU HA 1.0 1.8 3.50 456 263 A 531 TRP HE1 A 529 LEU HBy 1.0 1.8 4.30 457 263 A 531 TRP HE1 A 529 LEU HBx 1.0 1.8 4.30 458 264 A 529 LEU HA A 531 TRP H 1.0 1.8 4.40 459 265 A 531 TRP HE1 A 529 LEU HDx% 1.0 1.8 3.30 460 265 A 529 LEU HDy% A 531 TRP HE1 1.0 1.8 3.30 461 266 A 531 TRP HZ2 A 529 LEU HDx% 1.0 1.8 4.40 462 266 A 529 LEU HDy% A 531 TRP HZ2 1.0 1.8 4.40 463 267 A 531 TRP HD1 A 529 LEU HA 1.0 1.8 4.60 464 268 A 531 TRP HD1 A 529 LEU HBy 1.0 1.8 4.80 465 268 A 529 LEU HBx A 531 TRP HD1 1.0 1.8 4.80 466 269 A 529 LEU H A 531 TRP H 1.0 1.8 5.10 467 270 A 529 LEU H A 531 TRP HE1 1.0 1.8 5.50 468 271 A 531 TRP HE1 A 529 LEU HG 1.0 1.8 4.20 469 272 A 531 TRP HE1 A 529 LEU HA 1.0 1.8 3.50 470 273 A 529 LEU H A 532 ILE H 1.0 1.8 5.40 471 274 A 529 LEU H A 532 ILE HG1x 1.0 1.8 5.50 472 274 A 529 LEU H A 532 ILE HG1y 1.0 1.8 5.50 473 275 A 529 LEU HA A 532 ILE H 1.0 1.8 4.50 474 276 A 529 LEU HA A 532 ILE HD11 1.0 1.8 4.50 475 277 A 529 LEU H A 532 ILE HD11 1.0 1.8 5.20 476 278 A 529 LEU HG A 543 TYR HE% 1.0 1.8 4.30 477 279 A 543 TYR HE% A 529 LEU HDx% 1.0 1.8 3.40 478 279 A 529 LEU HDy% A 543 TYR HE% 1.0 1.8 3.40 479 280 A 530 ALA H A 530 ALA HB% 1.0 1.8 2.80 480 281 A 531 TRP HE1 A 530 ALA H 1.0 1.8 4.30 481 282 A 530 ALA HA A 531 TRP HA 1.0 1.8 5.00 482 283 A 530 ALA H A 531 TRP H 1.0 1.8 3.60 483 284 A 531 TRP HD1 A 530 ALA HB% 1.0 1.8 4.20 484 285 A 531 TRP HD1 A 530 ALA H 1.0 1.8 4.00 485 286 A 530 ALA H A 531 TRP HBx 1.0 1.8 4.70 486 286 A 530 ALA H A 531 TRP HBy 1.0 1.8 4.70 487 287 A 531 TRP HD1 A 530 ALA HA 1.0 1.8 4.50 488 288 A 531 TRP H A 530 ALA HB% 1.0 1.8 3.70 489 289 A 532 ILE H A 530 ALA HB% 1.0 1.8 4.60 490 290 A 530 ALA HA A 532 ILE H 1.0 1.8 5.10 491 291 A 530 ALA H A 532 ILE H 1.0 1.8 5.20 492 292 A 530 ALA H A 532 ILE HD11 1.0 1.8 5.00 493 293 A 530 ALA H A 537 PRO HDy 1.0 1.8 5.10 494 293 A 530 ALA H A 537 PRO HDx 1.0 1.8 5.10 495 294 A 530 ALA HA A 537 PRO HGy 1.0 1.8 5.20 496 294 A 530 ALA HA A 537 PRO HGx 1.0 1.8 5.20 497 295 A 530 ALA H A 537 PRO HGy 1.0 1.8 4.70 498 295 A 530 ALA H A 537 PRO HGx 1.0 1.8 4.70 499 296 A 531 TRP H A 531 TRP HBy 1.0 1.8 3.90 500 297 A 531 TRP H A 531 TRP HBx 1.0 1.8 3.90 501 298 A 531 TRP HE1 A 531 TRP H 1.0 1.8 4.60 502 299 A 531 TRP HE1 A 531 TRP HBx 1.0 1.8 4.30 503 299 A 531 TRP HE1 A 531 TRP HBy 1.0 1.8 4.30 504 300 A 531 TRP HD1 A 531 TRP HA 1.0 1.8 4.10 505 301 A 531 TRP H A 532 ILE HG21 1.0 1.8 4.30 506 302 A 531 TRP HE1 A 532 ILE HG1x 1.0 1.8 4.80 507 302 A 531 TRP HE1 A 532 ILE HG1y 1.0 1.8 4.80 508 303 A 531 TRP H A 532 ILE HD11 1.0 1.8 4.80 509 304 A 531 TRP HE3 A 532 ILE HA 1.0 1.8 5.50 510 305 A 531 TRP HE1 A 532 ILE HD11 1.0 1.8 4.20 511 306 A 532 ILE H A 531 TRP HBx 1.0 1.8 4.60 512 307 A 531 TRP HZ2 A 532 ILE HD11 1.0 1.8 4.50 513 308 A 531 TRP HZ2 A 532 ILE HG21 1.0 1.8 3.70 514 309 A 531 TRP HH2 A 532 ILE HD11 1.0 1.8 4.90 515 310 A 532 ILE H A 531 TRP HBx 1.0 1.8 3.90 516 310 A 532 ILE H A 531 TRP HBy 1.0 1.8 3.90 517 311 A 532 ILE H A 531 TRP HBy 1.0 1.8 4.60 518 312 A 531 TRP HE1 A 532 ILE H 1.0 1.8 5.50 519 313 A 531 TRP H A 532 ILE H 1.0 1.8 3.30 520 314 A 531 TRP H A 537 PRO HDy 1.0 1.8 5.20 521 314 A 531 TRP H A 537 PRO HDx 1.0 1.8 5.20 522 315 A 531 TRP H A 537 PRO HGy 1.0 1.8 5.30 523 315 A 531 TRP H A 537 PRO HGx 1.0 1.8 5.30 524 316 A 532 ILE H A 532 ILE HD11 1.0 1.8 3.80 525 317 A 532 ILE H A 532 ILE HG1x 1.0 1.8 5.40 526 317 A 532 ILE H A 532 ILE HG1y 1.0 1.8 5.40 527 318 A 532 ILE H A 532 ILE HG21 1.0 1.8 3.60 528 319 A 532 ILE H A 532 ILE HB 1.0 1.8 3.60 529 320 A 532 ILE HD11 A 532 ILE HB 1.0 1.8 3.80 530 321 A 532 ILE HD11 A 532 ILE HA 1.0 1.8 4.10 531 322 A 532 ILE HG21 A 532 ILE HA 1.0 1.8 3.40 532 323 A 532 ILE HG21 A 533 PRO HDx 1.0 1.8 4.60 533 324 A 532 ILE H A 533 PRO HDx 1.0 1.8 5.00 534 324 A 532 ILE H A 533 PRO HDy 1.0 1.8 5.00 535 325 A 532 ILE HB A 533 PRO HDy 1.0 1.8 5.00 536 326 A 532 ILE HB A 533 PRO HDx 1.0 1.8 4.30 537 326 A 532 ILE HB A 533 PRO HDy 1.0 1.8 4.30 538 327 A 532 ILE HD11 A 533 PRO HDx 1.0 1.8 5.20 539 327 A 532 ILE HD11 A 533 PRO HDy 1.0 1.8 5.20 540 328 A 532 ILE HA A 533 PRO HBx 1.0 1.8 4.70 541 328 A 532 ILE HA A 533 PRO HBy 1.0 1.8 4.70 542 329 A 532 ILE HG21 A 533 PRO HDy 1.0 1.8 4.60 543 330 A 532 ILE HB A 533 PRO HDx 1.0 1.8 5.00 544 331 A 532 ILE HG21 A 533 PRO HDx 1.0 1.8 3.80 545 331 A 532 ILE HG21 A 533 PRO HDy 1.0 1.8 3.80 546 332 A 532 ILE H A 534 TYR H 1.0 1.8 5.50 547 333 A 532 ILE H A 535 PHE HBx 1.0 1.8 5.40 548 333 A 532 ILE H A 535 PHE HBy 1.0 1.8 5.40 549 334 A 532 ILE HG21 A 535 PHE HBx 1.0 1.8 4.40 550 334 A 532 ILE HG21 A 535 PHE HBy 1.0 1.8 4.40 551 335 A 532 ILE HA A 535 PHE HD% 1.0 1.8 4.70 552 336 A 532 ILE HD11 A 535 PHE HE% 1.0 1.8 4.90 553 337 A 532 ILE HG21 A 535 PHE HZ 1.0 1.8 4.60 554 338 A 532 ILE HG21 A 535 PHE H 1.0 1.8 5.00 555 339 A 532 ILE HG21 A 535 PHE HE% 1.0 1.8 3.90 556 340 A 532 ILE HD11 A 536 GLY H 1.0 1.8 4.90 557 341 A 532 ILE H A 536 GLY H 1.0 1.8 5.00 558 342 A 532 ILE HB A 536 GLY HAy 1.0 1.8 5.20 559 342 A 532 ILE HB A 536 GLY HAx 1.0 1.8 5.20 560 343 A 532 ILE HG21 A 536 GLY H 1.0 1.8 4.10 561 344 A 532 ILE HB A 536 GLY H 1.0 1.8 4.60 562 345 A 532 ILE HG21 A 536 GLY HAy 1.0 1.8 5.00 563 345 A 532 ILE HG21 A 536 GLY HAx 1.0 1.8 5.00 564 346 A 532 ILE HG21 A 537 PRO HDy 1.0 1.8 5.00 565 346 A 537 PRO HDx A 532 ILE HG21 1.0 1.8 5.00 566 347 A 532 ILE H A 537 PRO HDy 1.0 1.8 5.00 567 347 A 532 ILE H A 537 PRO HDx 1.0 1.8 5.00 568 348 A 532 ILE HD11 A 538 ALA H 1.0 1.8 5.50 569 349 A 534 TYR HD% A 533 PRO HGx 1.0 1.8 4.50 570 349 A 533 PRO HGy A 534 TYR HD% 1.0 1.8 4.50 571 350 A 534 TYR HD% A 533 PRO HBx 1.0 1.8 4.60 572 351 A 534 TYR HE% A 533 PRO HBx 1.0 1.8 4.80 573 351 A 533 PRO HBy A 534 TYR HE% 1.0 1.8 4.80 574 352 A 533 PRO HBy A 534 TYR HD% 1.0 1.8 4.60 575 353 A 534 TYR HD% A 533 PRO HBx 1.0 1.8 4.00 576 353 A 533 PRO HBy A 534 TYR HD% 1.0 1.8 4.00 577 354 A 534 TYR HD% A 533 PRO HDx 1.0 1.8 4.80 578 354 A 533 PRO HDy A 534 TYR HD% 1.0 1.8 4.80 579 355 A 534 TYR H A 533 PRO HDx 1.0 1.8 5.00 580 355 A 533 PRO HDy A 534 TYR H 1.0 1.8 5.00 581 356 A 533 PRO HA A 534 TYR HBx 1.0 1.8 5.10 582 356 A 533 PRO HA A 534 TYR HBy 1.0 1.8 5.10 583 357 A 534 TYR HE% A 533 PRO HGx 1.0 1.8 4.70 584 357 A 533 PRO HGy A 534 TYR HE% 1.0 1.8 4.70 585 358 A 535 PHE H A 533 PRO HGx 1.0 1.8 5.50 586 358 A 535 PHE H A 533 PRO HGy 1.0 1.8 5.50 587 359 A 535 PHE H A 533 PRO HBx 1.0 1.8 5.40 588 359 A 533 PRO HBy A 535 PHE H 1.0 1.8 5.40 589 360 A 534 TYR H A 534 TYR HBx 1.0 1.8 4.00 590 360 A 534 TYR H A 534 TYR HBy 1.0 1.8 4.00 591 361 A 534 TYR H A 534 TYR HE% 1.0 1.8 4.80 592 362 A 534 TYR HD% A 534 TYR HA 1.0 1.8 3.80 593 363 A 534 TYR H A 534 TYR HD% 1.0 1.8 4.10 594 364 A 535 PHE HD% A 534 TYR HD% 1.0 1.8 4.30 595 365 A 535 PHE H A 534 TYR HBx 1.0 1.8 5.10 596 365 A 535 PHE H A 534 TYR HBy 1.0 1.8 5.10 597 366 A 534 TYR HD% A 535 PHE HA 1.0 1.8 4.10 598 367 A 535 PHE HD% A 534 TYR HE% 1.0 1.8 4.40 599 368 A 534 TYR H A 535 PHE H 1.0 1.8 4.70 600 369 A 535 PHE H A 534 TYR HD% 1.0 1.8 4.90 601 370 A 536 GLY H A 534 TYR HD% 1.0 1.8 5.30 602 371 A 535 PHE HD% A 535 PHE H 1.0 1.8 4.70 603 372 A 535 PHE H A 535 PHE HBx 1.0 1.8 3.70 604 372 A 535 PHE HBy A 535 PHE H 1.0 1.8 3.70 605 373 A 535 PHE HD% A 535 PHE HA 1.0 1.8 3.90 606 374 A 536 GLY H A 535 PHE HBx 1.0 1.8 4.10 607 375 A 535 PHE H A 536 GLY H 1.0 1.8 3.70 608 376 A 535 PHE HBy A 536 GLY H 1.0 1.8 4.10 609 377 A 535 PHE HD% A 536 GLY H 1.0 1.8 4.60 610 378 A 535 PHE H A 537 PRO HDy 1.0 1.8 5.40 611 378 A 537 PRO HDx A 535 PHE H 1.0 1.8 5.40 612 379 A 535 PHE HA A 538 ALA HB% 1.0 1.8 4.30 613 380 A 539 ALA HB% A 535 PHE HBx 1.0 1.8 5.00 614 381 A 535 PHE H A 539 ALA HB% 1.0 1.8 5.50 615 382 A 535 PHE HBy A 539 ALA HB% 1.0 1.8 5.00 616 383 A 536 GLY HAy A 537 PRO HGy 1.0 1.8 4.60 617 383 A 536 GLY HAx A 537 PRO HGy 1.0 1.8 4.60 618 383 A 537 PRO HGx A 536 GLY HAy 1.0 1.8 4.60 619 383 A 537 PRO HGx A 536 GLY HAx 1.0 1.8 4.60 620 384 A 536 GLY H A 537 PRO HGy 1.0 1.8 4.50 621 384 A 537 PRO HGx A 536 GLY H 1.0 1.8 4.50 622 385 A 536 GLY H A 537 PRO HBx 1.0 1.8 5.10 623 385 A 536 GLY H A 537 PRO HBy 1.0 1.8 5.10 624 386 A 536 GLY H A 537 PRO HDy 1.0 1.8 3.50 625 386 A 537 PRO HDx A 536 GLY H 1.0 1.8 3.50 626 387 A 539 ALA HB% A 536 GLY HAy 1.0 1.8 4.20 627 387 A 536 GLY HAx A 539 ALA HB% 1.0 1.8 4.20 628 388 A 539 ALA H A 536 GLY HAy 1.0 1.8 5.00 629 388 A 536 GLY HAx A 539 ALA H 1.0 1.8 5.00 630 389 A 536 GLY H A 539 ALA HB% 1.0 1.8 4.60 631 390 A 538 ALA HB% A 537 PRO HA 1.0 1.8 5.05 632 391 A 538 ALA HB% A 537 PRO HDy 1.0 1.8 4.90 633 391 A 537 PRO HDx A 538 ALA HB% 1.0 1.8 4.90 634 392 A 538 ALA H A 537 PRO HDy 1.0 1.8 3.90 635 392 A 537 PRO HDx A 538 ALA H 1.0 1.8 3.90 636 393 A 538 ALA H A 537 PRO HBx 1.0 1.8 4.40 637 394 A 538 ALA H A 537 PRO HBy 1.0 1.8 4.40 638 395 A 538 ALA H A 537 PRO HGy 1.0 1.8 3.70 639 395 A 537 PRO HGx A 538 ALA H 1.0 1.8 3.70 640 396 A 538 ALA H A 538 ALA HB% 1.0 1.8 3.00 641 397 A 539 ALA HB% A 539 ALA H 1.0 1.8 3.00 642 398 A 539 ALA HB% A 540 GLU HA 1.0 1.8 4.80 643 399 A 539 ALA HB% A 540 GLU H 1.0 1.8 3.20 644 400 A 539 ALA HA A 540 GLU HGx 1.0 1.8 5.30 645 400 A 539 ALA HA A 540 GLU HGy 1.0 1.8 5.30 646 401 A 539 ALA HA A 540 GLU HBx 1.0 1.8 5.20 647 401 A 539 ALA HA A 540 GLU HBy 1.0 1.8 5.20 648 402 A 539 ALA HB% A 541 GLY H 1.0 1.8 4.10 649 403 A 539 ALA HA A 542 ILE HD11 1.0 1.8 4.00 650 404 A 539 ALA HA A 542 ILE HB 1.0 1.8 4.60 651 405 A 539 ALA HA A 542 ILE H 1.0 1.8 5.10 652 406 A 539 ALA HB% A 543 TYR HD% 1.0 1.8 4.50 653 407 A 540 GLU HA A 540 GLU HGx 1.0 1.8 3.80 654 407 A 540 GLU HA A 540 GLU HGy 1.0 1.8 3.80 655 408 A 540 GLU H A 540 GLU HBx 1.0 1.8 3.30 656 408 A 540 GLU H A 540 GLU HBy 1.0 1.8 3.30 657 409 A 540 GLU H A 540 GLU HGx 1.0 1.8 3.80 658 409 A 540 GLU H A 540 GLU HGy 1.0 1.8 3.80 659 410 A 541 GLY H A 540 GLU HBx 1.0 1.8 3.60 660 410 A 540 GLU HBy A 541 GLY H 1.0 1.8 3.60 661 411 A 540 GLU HA A 541 GLY H 1.0 1.8 3.53 662 412 A 540 GLU H A 541 GLY HAx 1.0 1.8 5.23 663 412 A 541 GLY HAy A 540 GLU H 1.0 1.8 5.23 664 413 A 541 GLY H A 540 GLU HGx 1.0 1.8 4.10 665 413 A 540 GLU HGy A 541 GLY H 1.0 1.8 4.10 666 414 A 540 GLU HA A 542 ILE H 1.0 1.8 5.30 667 415 A 540 GLU HA A 542 ILE HD11 1.0 1.8 4.30 668 416 A 540 GLU H A 542 ILE HD11 1.0 1.8 4.40 669 417 A 542 ILE HD11 A 540 GLU HGx 1.0 1.8 4.20 670 417 A 540 GLU HGy A 542 ILE HD11 1.0 1.8 4.20 671 418 A 543 TYR HD% A 540 GLU HGx 1.0 1.8 4.30 672 418 A 540 GLU HGy A 543 TYR HD% 1.0 1.8 4.30 673 419 A 540 GLU HA A 543 TYR HBy 1.0 1.8 4.90 674 419 A 540 GLU HA A 543 TYR HBx 1.0 1.8 4.90 675 420 A 540 GLU HA A 544 ILE HG1x 1.0 1.8 5.00 676 420 A 540 GLU HA A 544 ILE HG1y 1.0 1.8 5.00 677 421 A 541 GLY H A 541 GLY HAx 1.0 1.8 3.00 678 421 A 541 GLY HAy A 541 GLY H 1.0 1.8 3.00 679 422 A 541 GLY H A 542 ILE H 1.0 1.8 3.20 680 423 A 541 GLY H A 542 ILE HD11 1.0 1.8 4.20 681 424 A 541 GLY H A 542 ILE HG1x 1.0 1.8 4.90 682 424 A 542 ILE HG1y A 541 GLY H 1.0 1.8 4.90 683 425 A 542 ILE H A 541 GLY HAx 1.0 1.8 3.30 684 425 A 541 GLY HAy A 542 ILE H 1.0 1.8 3.30 685 426 A 541 GLY H A 543 TYR HD% 1.0 1.8 5.50 686 427 A 541 GLY H A 543 TYR HBy 1.0 1.8 5.40 687 427 A 541 GLY H A 543 TYR HBx 1.0 1.8 5.40 688 428 A 541 GLY HAx A 544 ILE HG1x 1.0 1.8 4.20 689 428 A 541 GLY HAy A 544 ILE HG1x 1.0 1.8 4.20 690 428 A 544 ILE HG1y A 541 GLY HAx 1.0 1.8 4.20 691 428 A 541 GLY HAy A 544 ILE HG1y 1.0 1.8 4.20 692 429 A 542 ILE HG1y A 542 ILE H 1.0 1.8 4.33 693 430 A 542 ILE HG1y A 542 ILE HA 1.0 1.8 3.90 694 431 A 542 ILE HD11 A 542 ILE H 1.0 1.8 3.20 695 432 A 542 ILE H A 542 ILE HG1x 1.0 1.8 4.15 696 433 A 542 ILE HB A 542 ILE H 1.0 1.8 3.10 697 434 A 542 ILE HA A 542 ILE HG1x 1.0 1.8 3.90 698 435 A 542 ILE HD11 A 542 ILE HB 1.0 1.8 2.90 699 436 A 542 ILE HD11 A 543 TYR HBy 1.0 1.8 4.90 700 436 A 542 ILE HD11 A 543 TYR HBx 1.0 1.8 4.90 701 437 A 542 ILE HA A 543 TYR H 1.0 1.8 3.88 702 438 A 542 ILE HB A 543 TYR H 1.0 1.8 3.70 703 439 A 542 ILE HD11 A 543 TYR HD% 1.0 1.8 3.50 704 440 A 543 TYR HE% A 542 ILE H 1.0 1.8 5.50 705 441 A 542 ILE HD11 A 543 TYR HA 1.0 1.8 4.90 706 442 A 542 ILE H A 543 TYR H 1.0 1.8 3.80 707 443 A 542 ILE HD11 A 543 TYR H 1.0 1.8 3.50 708 444 A 542 ILE H A 543 TYR HBy 1.0 1.8 5.10 709 445 A 542 ILE H A 543 TYR HD% 1.0 1.8 4.70 710 446 A 542 ILE H A 543 TYR HA 1.0 1.8 4.90 711 447 A 542 ILE HB A 543 TYR HA 1.0 1.8 5.10 712 448 A 542 ILE H A 543 TYR HBx 1.0 1.8 5.10 713 449 A 542 ILE HA A 544 ILE HD11 1.0 1.8 3.20 714 450 A 543 TYR H A 543 TYR HBy 1.0 1.8 3.60 715 451 A 543 TYR HE% A 543 TYR H 1.0 1.8 4.50 716 452 A 543 TYR HD% A 543 TYR HA 1.0 1.8 3.75 717 453 A 543 TYR HBx A 543 TYR H 1.0 1.8 3.60 718 454 A 543 TYR HD% A 543 TYR H 1.0 1.8 3.70 719 455 A 543 TYR HE% A 544 ILE HA 1.0 1.8 4.00 720 456 A 543 TYR HD% A 544 ILE H 1.0 1.8 4.50 721 457 A 543 TYR HBx A 544 ILE H 1.0 1.8 4.80 722 458 A 543 TYR HD% A 544 ILE HA 1.0 1.8 4.10 723 459 A 544 ILE H A 543 TYR HBy 1.0 1.8 4.00 724 459 A 543 TYR HBx A 544 ILE H 1.0 1.8 4.00 725 460 A 543 TYR HE% A 544 ILE H 1.0 1.8 5.50 726 461 A 544 ILE H A 543 TYR HBy 1.0 1.8 4.80 727 462 A 543 TYR H A 544 ILE H 1.0 1.8 3.30 728 463 A 543 TYR HD% A 544 ILE HG1x 1.0 1.8 4.30 729 463 A 543 TYR HD% A 544 ILE HG1y 1.0 1.8 4.30 730 464 A 543 TYR H A 544 ILE HG1x 1.0 1.8 4.50 731 464 A 544 ILE HG1y A 543 TYR H 1.0 1.8 4.50 732 465 A 543 TYR HA A 544 ILE HB 1.0 1.8 5.10 733 466 A 545 GLU H A 543 TYR HBy 1.0 1.8 5.30 734 466 A 543 TYR HBx A 545 GLU H 1.0 1.8 5.30 735 467 A 543 TYR HD% A 545 GLU H 1.0 1.8 4.80 736 468 A 543 TYR HD% A 545 GLU HBx 1.0 1.8 4.20 737 468 A 543 TYR HD% A 545 GLU HBy 1.0 1.8 4.20 738 469 A 543 TYR H A 545 GLU HGx 1.0 1.8 4.80 739 469 A 543 TYR H A 545 GLU HGy 1.0 1.8 4.80 740 470 A 543 TYR HBy A 545 GLU HGx 1.0 1.8 4.70 741 470 A 543 TYR HBx A 545 GLU HGx 1.0 1.8 4.70 742 470 A 545 GLU HGy A 543 TYR HBy 1.0 1.8 4.70 743 470 A 543 TYR HBx A 545 GLU HGy 1.0 1.8 4.70 744 471 A 543 TYR HE% A 545 GLU H 1.0 1.8 5.50 745 472 A 543 TYR HA A 545 GLU H 1.0 1.8 4.60 746 473 A 543 TYR HE% A 545 GLU HGx 1.0 1.8 4.30 747 473 A 543 TYR HE% A 545 GLU HGy 1.0 1.8 4.30 748 474 A 543 TYR HE% A 545 GLU HBx 1.0 1.8 3.80 749 474 A 543 TYR HE% A 545 GLU HBy 1.0 1.8 3.80 750 475 A 543 TYR HD% A 545 GLU HGx 1.0 1.8 5.30 751 475 A 543 TYR HD% A 545 GLU HGy 1.0 1.8 5.30 752 476 A 544 ILE HG1y A 544 ILE H 1.0 1.8 4.10 753 477 A 544 ILE H A 544 ILE HG1x 1.0 1.8 4.10 754 478 A 544 ILE H A 544 ILE HB 1.0 1.8 3.50 755 479 A 544 ILE H A 544 ILE HG1x 1.0 1.8 3.50 756 479 A 544 ILE HG1y A 544 ILE H 1.0 1.8 3.50 757 480 A 544 ILE HD11 A 544 ILE HA 1.0 1.8 3.60 758 481 A 544 ILE HD11 A 544 ILE H 1.0 1.8 3.30 759 482 A 544 ILE H A 545 GLU H 1.0 1.8 3.80 760 483 A 544 ILE H A 545 GLU HGx 1.0 1.8 4.20 761 483 A 544 ILE H A 545 GLU HGy 1.0 1.8 4.20 762 484 A 544 ILE HG1y A 545 GLU H 1.0 1.8 5.00 763 485 A 544 ILE HD11 A 545 GLU H 1.0 1.8 4.09 764 486 A 544 ILE HA A 545 GLU H 1.0 1.8 3.60 765 487 A 544 ILE HB A 545 GLU HGx 1.0 1.8 5.40 766 487 A 544 ILE HB A 545 GLU HGy 1.0 1.8 5.40 767 488 A 545 GLU H A 544 ILE HG1x 1.0 1.8 4.30 768 488 A 544 ILE HG1y A 545 GLU H 1.0 1.8 4.30 769 489 A 545 GLU H A 544 ILE HG1x 1.0 1.8 5.00 770 490 A 544 ILE HA A 545 GLU HGx 1.0 1.8 5.30 771 490 A 544 ILE HA A 545 GLU HGy 1.0 1.8 5.30 772 491 A 547 LEU H A 544 ILE HG1x 1.0 1.8 5.40 773 491 A 544 ILE HG1y A 547 LEU H 1.0 1.8 5.40 774 492 A 544 ILE HG1x A 548 MET HGx 1.0 1.8 5.00 775 492 A 544 ILE HG1y A 548 MET HGx 1.0 1.8 5.00 776 492 A 548 MET HGy A 544 ILE HG1x 1.0 1.8 5.00 777 492 A 544 ILE HG1y A 548 MET HGy 1.0 1.8 5.00 778 493 A 545 GLU HA A 545 GLU HGx 1.0 1.8 3.70 779 493 A 545 GLU HGy A 545 GLU HA 1.0 1.8 3.70 780 494 A 545 GLU H A 545 GLU HBx 1.0 1.8 3.40 781 494 A 545 GLU H A 545 GLU HBy 1.0 1.8 3.40 782 495 A 545 GLU H A 545 GLU HGx 1.0 1.8 3.80 783 495 A 545 GLU H A 545 GLU HGy 1.0 1.8 3.80 784 496 A 546 GLY H A 545 GLU HBx 1.0 1.8 3.80 785 496 A 545 GLU HBy A 546 GLY H 1.0 1.8 3.80 786 497 A 546 GLY H A 545 GLU HGx 1.0 1.8 4.40 787 497 A 545 GLU HGy A 546 GLY H 1.0 1.8 4.40 788 498 A 545 GLU HA A 546 GLY H 1.0 1.8 3.60 789 499 A 545 GLU H A 546 GLY H 1.0 1.8 4.10 790 500 A 547 LEU H A 545 GLU HBx 1.0 1.8 5.40 791 500 A 545 GLU HBy A 547 LEU H 1.0 1.8 5.40 792 501 A 545 GLU H A 547 LEU H 1.0 1.8 5.10 793 502 A 547 LEU H A 545 GLU HA 1.0 1.8 4.10 794 503 A 545 GLU HA A 547 LEU HDx% 1.0 1.8 4.40 795 503 A 545 GLU HA A 547 LEU HDy% 1.0 1.8 4.40 796 504 A 547 LEU H A 545 GLU HGx 1.0 1.8 5.50 797 504 A 545 GLU HGy A 547 LEU H 1.0 1.8 5.50 798 505 A 545 GLU HA A 548 MET HGx 1.0 1.8 5.50 799 505 A 548 MET HGy A 545 GLU HA 1.0 1.8 5.50 800 506 A 547 LEU H A 546 GLY HAx 1.0 1.8 3.60 801 506 A 547 LEU H A 546 GLY HAy 1.0 1.8 3.60 802 507 A 547 LEU H A 546 GLY H 1.0 1.8 3.70 803 508 A 546 GLY H A 547 LEU HDx% 1.0 1.8 4.00 804 508 A 546 GLY H A 547 LEU HDy% 1.0 1.8 4.00 805 509 A 546 GLY H A 547 LEU HBx 1.0 1.8 4.90 806 509 A 546 GLY H A 547 LEU HBy 1.0 1.8 4.90 807 510 A 548 MET HE1 A 546 GLY HAx 1.0 1.8 4.40 808 510 A 546 GLY HAy A 548 MET HE1 1.0 1.8 4.40 809 511 A 548 MET H A 546 GLY HAx 1.0 1.8 4.70 810 511 A 546 GLY HAy A 548 MET H 1.0 1.8 4.70 811 512 A 546 GLY H A 549 HIS HD2 1.0 1.8 5.50 812 513 A 547 LEU H A 547 LEU HG 1.0 1.8 4.30 813 514 A 547 LEU HBx A 547 LEU HDx% 1.0 1.8 2.60 814 514 A 547 LEU HBy A 547 LEU HDx% 1.0 1.8 2.60 815 514 A 547 LEU HDy% A 547 LEU HBx 1.0 1.8 2.60 816 514 A 547 LEU HDy% A 547 LEU HBy 1.0 1.8 2.60 817 515 A 547 LEU H A 547 LEU HDx% 1.0 1.8 3.30 818 515 A 547 LEU H A 547 LEU HDy% 1.0 1.8 3.30 819 516 A 547 LEU H A 547 LEU HBx 1.0 1.8 3.10 820 516 A 547 LEU H A 547 LEU HBy 1.0 1.8 3.10 821 517 A 547 LEU HDy% A 548 MET HGx 1.0 1.8 4.60 822 517 A 547 LEU HDx% A 548 MET HGx 1.0 1.8 4.60 823 518 A 547 LEU H A 548 MET HGx 1.0 1.8 5.20 824 518 A 547 LEU H A 548 MET HGy 1.0 1.8 5.20 825 519 A 547 LEU H A 548 MET H 1.0 1.8 3.40 826 520 A 548 MET H A 547 LEU HA 1.0 1.8 3.60 827 521 A 547 LEU HG A 548 MET HA 1.0 1.8 3.30 828 522 A 548 MET HE1 A 547 LEU HDx% 1.0 1.8 3.30 829 522 A 547 LEU HDy% A 548 MET HE1 1.0 1.8 3.30 830 523 A 548 MET H A 547 LEU HDx% 1.0 1.8 3.70 831 523 A 547 LEU HDy% A 548 MET H 1.0 1.8 3.70 832 524 A 548 MET HGy A 547 LEU HDy% 1.0 1.8 4.60 833 524 A 548 MET HGy A 547 LEU HDx% 1.0 1.8 4.60 834 525 A 547 LEU H A 548 MET HBx 1.0 1.8 4.40 835 525 A 547 LEU H A 548 MET HBy 1.0 1.8 4.40 836 526 A 548 MET H A 547 LEU HBx 1.0 1.8 3.70 837 526 A 547 LEU HBy A 548 MET H 1.0 1.8 3.70 838 527 A 547 LEU HA A 549 HIS HE1 1.0 1.8 4.80 839 528 A 547 LEU H A 549 HIS HD2 1.0 1.8 5.50 840 529 A 549 HIS HE1 A 547 LEU HDx% 1.0 1.8 5.10 841 529 A 547 LEU HDy% A 549 HIS HE1 1.0 1.8 5.10 842 530 A 551 GLN HE2y A 547 LEU HBx 1.0 1.8 5.50 843 530 A 547 LEU HBy A 551 GLN HE2y 1.0 1.8 5.50 844 531 A 547 LEU HDx% A 551 GLN HBy 1.0 1.8 5.00 845 531 A 547 LEU HDy% A 551 GLN HBy 1.0 1.8 5.00 846 531 A 551 GLN HBx A 547 LEU HDx% 1.0 1.8 5.00 847 531 A 547 LEU HDy% A 551 GLN HBx 1.0 1.8 5.00 848 532 A 547 LEU HDy% A 551 GLN HGx 1.0 1.8 4.30 849 532 A 547 LEU HDx% A 551 GLN HGx 1.0 1.8 4.30 850 532 A 551 GLN HGy A 547 LEU HDx% 1.0 1.8 4.30 851 532 A 547 LEU HDy% A 551 GLN HGy 1.0 1.8 4.30 852 533 A 551 GLN HE2y A 547 LEU HDx% 1.0 1.8 4.50 853 533 A 547 LEU HDy% A 551 GLN HE2x 1.0 1.8 4.50 854 533 A 547 LEU HDy% A 551 GLN HE2y 1.0 1.8 4.50 855 533 A 551 GLN HE2x A 547 LEU HDx% 1.0 1.8 4.50 856 534 A 551 GLN HE2x A 547 LEU HBx 1.0 1.8 5.50 857 534 A 547 LEU HBy A 551 GLN HE2x 1.0 1.8 5.50 858 535 A 548 MET HE1 A 548 MET H 1.0 1.8 4.40 859 536 A 548 MET HGy A 548 MET H 1.0 1.8 4.70 860 537 A 548 MET HE1 A 548 MET HGx 1.0 1.8 3.60 861 537 A 548 MET HGy A 548 MET HE1 1.0 1.8 3.60 862 538 A 548 MET H A 548 MET HGx 1.0 1.8 4.70 863 539 A 548 MET H A 548 MET HBx 1.0 1.8 3.50 864 539 A 548 MET H A 548 MET HBy 1.0 1.8 3.50 865 540 A 548 MET H A 548 MET HGx 1.0 1.8 3.80 866 540 A 548 MET HGy A 548 MET H 1.0 1.8 3.80 867 541 A 548 MET HE1 A 549 HIS HD2 1.0 1.8 4.70 868 542 A 548 MET H A 549 HIS HBy 1.0 1.8 5.40 869 542 A 548 MET H A 549 HIS HBx 1.0 1.8 5.40 870 543 A 548 MET H A 549 HIS HD2 1.0 1.8 5.40 871 544 A 548 MET HE1 A 549 HIS HE1 1.0 1.8 4.80 872 545 A 549 HIS HD2 A 548 MET HA 1.0 1.8 4.90 873 546 A 548 MET HE1 A 549 HIS H 1.0 1.8 4.80 874 547 A 549 HIS HD2 A 548 MET HBx 1.0 1.8 4.20 875 547 A 549 HIS HD2 A 548 MET HBy 1.0 1.8 4.20 876 548 A 548 MET HA A 551 GLN HE2y 1.0 1.8 4.40 877 548 A 548 MET HA A 551 GLN HE2x 1.0 1.8 4.40 878 549 A 549 HIS HD2 A 549 HIS H 1.0 1.8 4.80 879 550 A 549 HIS HD2 A 550 ASN H 1.0 1.8 5.10 880 551 A 551 GLN HE2y A 549 HIS H 1.0 1.8 5.50 881 552 A 549 HIS HE1 A 551 GLN HGx 1.0 1.8 5.10 882 552 A 549 HIS HE1 A 551 GLN HGy 1.0 1.8 5.10 883 553 A 551 GLN HE2y A 549 HIS H 1.0 1.8 4.80 884 553 A 551 GLN HE2x A 549 HIS H 1.0 1.8 4.80 885 554 A 551 GLN HE2x A 549 HIS H 1.0 1.8 5.50 886 555 A 551 GLN HE2x A 550 ASN HBx 1.0 1.8 5.20 887 555 A 551 GLN HE2y A 550 ASN HBx 1.0 1.8 5.20 888 555 A 551 GLN HE2x A 550 ASN HBy 1.0 1.8 5.20 889 555 A 551 GLN HE2y A 550 ASN HBy 1.0 1.8 5.20 890 556 A 551 GLN H A 550 ASN HBy 1.0 1.8 4.80 891 556 A 550 ASN HBx A 551 GLN H 1.0 1.8 4.80 892 557 A 551 GLN HE2x A 551 GLN HGx 1.0 1.8 3.60 893 557 A 551 GLN HGy A 551 GLN HE2x 1.0 1.8 3.60 894 558 A 551 GLN HBx A 551 GLN HE2x 1.0 1.8 4.00 895 558 A 551 GLN HE2y A 551 GLN HBx 1.0 1.8 4.00 896 558 A 551 GLN HE2y A 551 GLN HBy 1.0 1.8 4.00 897 558 A 551 GLN HE2x A 551 GLN HBy 1.0 1.8 4.00 898 559 A 551 GLN HE2y A 551 GLN HGy 1.0 1.8 3.00 899 559 A 551 GLN HE2y A 551 GLN HGx 1.0 1.8 3.00 900 559 A 551 GLN HGy A 551 GLN HE2x 1.0 1.8 3.00 901 559 A 551 GLN HE2x A 551 GLN HGx 1.0 1.8 3.00 902 560 A 551 GLN HE2y A 551 GLN HGx 1.0 1.8 3.60 903 560 A 551 GLN HE2y A 551 GLN HGy 1.0 1.8 3.60 904 561 A 551 GLN H A 551 GLN HGx 1.0 1.8 4.80 905 561 A 551 GLN HGy A 551 GLN H 1.0 1.8 4.80 906 562 A 551 GLN HE2y A 551 GLN HA 1.0 1.8 4.80 907 562 A 551 GLN HE2x A 551 GLN HA 1.0 1.8 4.80 908 563 A 551 GLN HA A 551 GLN HGx 1.0 1.8 3.70 909 563 A 551 GLN HGy A 551 GLN HA 1.0 1.8 3.70 910 564 A 551 GLN HE2x A 552 ASP HBx 1.0 1.8 5.40 911 564 A 551 GLN HE2y A 552 ASP HBy 1.0 1.8 5.40 912 564 A 551 GLN HE2x A 552 ASP HBy 1.0 1.8 5.40 913 564 A 551 GLN HE2y A 552 ASP HBx 1.0 1.8 5.40 914 565 A 552 ASP H A 551 GLN HGx 1.0 1.8 4.20 915 565 A 551 GLN HGy A 552 ASP H 1.0 1.8 4.20 916 566 A 551 GLN HA A 552 ASP HBx 1.0 1.8 4.70 917 566 A 551 GLN HA A 552 ASP HBy 1.0 1.8 4.70 918 567 A 551 GLN H A 552 ASP HBx 1.0 1.8 4.90 919 567 A 551 GLN H A 552 ASP HBy 1.0 1.8 4.90 920 568 A 552 ASP H A 551 GLN HBy 1.0 1.8 3.80 921 568 A 551 GLN HBx A 552 ASP H 1.0 1.8 3.80 922 569 A 552 ASP H A 551 GLN HBy 1.0 1.8 4.30 923 570 A 551 GLN HA A 552 ASP H 1.0 1.8 3.40 924 571 A 551 GLN HBx A 552 ASP H 1.0 1.8 4.30 925 572 A 553 GLY H A 551 GLN HBy 1.0 1.8 4.80 926 572 A 551 GLN HBx A 553 GLY H 1.0 1.8 4.80 927 573 A 551 GLN HA A 553 GLY H 1.0 1.8 4.30 928 574 A 553 GLY H A 551 GLN HGx 1.0 1.8 5.40 929 574 A 551 GLN HGy A 553 GLY H 1.0 1.8 5.40 930 575 A 554 LEU H A 551 GLN HBy 1.0 1.8 4.80 931 575 A 551 GLN HBx A 554 LEU H 1.0 1.8 4.80 932 576 A 555 ILE HG21 A 551 GLN HE2x 1.0 1.8 4.80 933 577 A 555 ILE HG21 A 551 GLN HE2y 1.0 1.8 4.10 934 577 A 555 ILE HG21 A 551 GLN HE2x 1.0 1.8 4.10 935 578 A 555 ILE HG21 A 551 GLN HE2y 1.0 1.8 4.80 936 579 A 551 GLN HE2y A 556 CYS HBy 1.0 1.8 4.80 937 579 A 551 GLN HE2x A 556 CYS HBx 1.0 1.8 4.80 938 579 A 551 GLN HE2x A 556 CYS HBy 1.0 1.8 4.80 939 579 A 551 GLN HE2y A 556 CYS HBx 1.0 1.8 4.80 940 580 A 552 ASP H A 552 ASP HBx 1.0 1.8 3.30 941 580 A 552 ASP HBy A 552 ASP H 1.0 1.8 3.30 942 581 A 553 GLY H A 552 ASP HBx 1.0 1.8 3.90 943 581 A 552 ASP HBy A 553 GLY H 1.0 1.8 3.90 944 582 A 552 ASP HA A 553 GLY H 1.0 1.8 3.40 945 583 A 552 ASP HA A 553 GLY HAx 1.0 1.8 4.40 946 583 A 552 ASP HA A 553 GLY HAy 1.0 1.8 4.40 947 584 A 554 LEU H A 552 ASP HBx 1.0 1.8 5.40 948 584 A 552 ASP HBy A 554 LEU H 1.0 1.8 5.40 949 585 A 552 ASP HA A 554 LEU H 1.0 1.8 4.80 950 586 A 554 LEU HG A 552 ASP H 1.0 1.8 4.10 951 587 A 555 ILE HG21 A 552 ASP HA 1.0 1.8 4.90 952 588 A 554 LEU H A 553 GLY HAx 1.0 1.8 3.40 953 588 A 554 LEU H A 553 GLY HAy 1.0 1.8 3.40 954 589 A 554 LEU HG A 553 GLY HAx 1.0 1.8 4.50 955 589 A 554 LEU HG A 553 GLY HAy 1.0 1.8 4.50 956 590 A 554 LEU HG A 553 GLY H 1.0 1.8 5.00 957 591 A 553 GLY H A 554 LEU HDx% 1.0 1.8 4.60 958 591 A 554 LEU HD21 A 553 GLY H 1.0 1.8 4.60 959 592 A 555 ILE H A 553 GLY HAx 1.0 1.8 4.60 960 592 A 553 GLY HAy A 555 ILE H 1.0 1.8 4.60 961 593 A 553 GLY H A 556 CYS HBy 1.0 1.8 5.40 962 594 A 553 GLY H A 556 CYS HBx 1.0 1.8 4.70 963 594 A 553 GLY H A 556 CYS HBy 1.0 1.8 4.70 964 595 A 553 GLY H A 556 CYS HBx 1.0 1.8 5.40 965 596 A 554 LEU HG A 554 LEU H 1.0 1.8 3.40 966 597 A 554 LEU HG A 554 LEU HA 1.0 1.8 3.90 967 598 A 554 LEU H A 554 LEU HBx 1.0 1.8 4.10 968 598 A 554 LEU H A 554 LEU HBy 1.0 1.8 4.10 969 599 A 554 LEU H A 554 LEU HDx% 1.0 1.8 3.70 970 599 A 554 LEU HD21 A 554 LEU H 1.0 1.8 3.70 971 600 A 555 ILE H A 554 LEU HBx 1.0 1.8 3.80 972 600 A 555 ILE H A 554 LEU HBy 1.0 1.8 3.80 973 601 A 555 ILE HG21 A 554 LEU HG 1.0 1.8 2.90 974 602 A 555 ILE H A 554 LEU HA 1.0 1.8 3.60 975 603 A 555 ILE H A 555 ILE HD11 1.0 1.8 3.80 976 604 A 555 ILE H A 555 ILE HG1x 1.0 1.8 3.20 977 604 A 555 ILE HG1y A 555 ILE H 1.0 1.8 3.20 978 605 A 555 ILE HA A 555 ILE HD11 1.0 1.8 3.40 979 606 A 555 ILE H A 555 ILE HG1x 1.0 1.8 3.90 980 607 A 555 ILE HG21 A 555 ILE H 1.0 1.8 3.40 981 608 A 555 ILE HG1y A 555 ILE H 1.0 1.8 3.90 982 609 A 556 CYS HBy A 555 ILE H 1.0 1.8 5.50 983 610 A 556 CYS HA A 555 ILE H 1.0 1.8 4.40 984 611 A 555 ILE H A 556 CYS HBx 1.0 1.8 4.90 985 611 A 556 CYS HBy A 555 ILE H 1.0 1.8 4.90 986 612 A 556 CYS H A 555 ILE HG1x 1.0 1.8 5.40 987 612 A 555 ILE HG1y A 556 CYS H 1.0 1.8 5.40 988 613 A 556 CYS H A 555 ILE HB 1.0 1.8 4.30 989 614 A 555 ILE HA A 556 CYS HA 1.0 1.8 5.00 990 615 A 555 ILE H A 556 CYS HBx 1.0 1.8 5.50 991 616 A 555 ILE H A 560 GLN HGx 1.0 1.8 5.00 992 616 A 555 ILE H A 560 GLN HGy 1.0 1.8 5.00 993 617 A 556 CYS HBy A 556 CYS H 1.0 1.8 4.10 994 618 A 556 CYS H A 556 CYS HBx 1.0 1.8 4.10 995 619 A 557 GLY H A 556 CYS HBy 1.0 1.8 4.90 996 620 A 557 GLY H A 556 CYS HBx 1.0 1.8 4.90 997 621 A 556 CYS HBy A 560 GLN HE2y 1.0 1.8 5.20 998 621 A 560 GLN HE2x A 556 CYS HBx 1.0 1.8 5.20 999 621 A 556 CYS HBy A 560 GLN HE2x 1.0 1.8 5.20 1000 621 A 556 CYS HBx A 560 GLN HE2y 1.0 1.8 5.20 1001 622 A 556 CYS HA A 560 GLN HE2y 1.0 1.8 4.50 1002 622 A 556 CYS HA A 560 GLN HE2x 1.0 1.8 4.50 1003 623 A 557 GLY H A 558 LEU HBx 1.0 1.8 5.10 1004 623 A 557 GLY H A 558 LEU HBy 1.0 1.8 5.10 1005 624 A 557 GLY H A 558 LEU HDx% 1.0 1.8 4.60 1006 624 A 558 LEU HD21 A 557 GLY H 1.0 1.8 4.60 1007 625 A 557 GLY H A 558 LEU H 1.0 1.8 4.70 1008 626 A 558 LEU H A 557 GLY HAx 1.0 1.8 3.50 1009 626 A 558 LEU H A 557 GLY HAy 1.0 1.8 3.50 1010 627 A 557 GLY HAy A 558 LEU HDx% 1.0 1.8 4.00 1011 627 A 557 GLY HAx A 558 LEU HDx% 1.0 1.8 4.00 1012 627 A 558 LEU HD21 A 557 GLY HAx 1.0 1.8 4.00 1013 627 A 558 LEU HD21 A 557 GLY HAy 1.0 1.8 4.00 1014 628 A 557 GLY HAy A 558 LEU HBx 1.0 1.8 4.80 1015 628 A 558 LEU HBy A 557 GLY HAx 1.0 1.8 4.80 1016 628 A 558 LEU HBy A 557 GLY HAy 1.0 1.8 4.80 1017 628 A 557 GLY HAx A 558 LEU HBx 1.0 1.8 4.80 1018 629 A 559 ARG H A 557 GLY HAx 1.0 1.8 4.40 1019 629 A 557 GLY HAy A 559 ARG H 1.0 1.8 4.40 1020 630 A 560 GLN H A 557 GLY HAx 1.0 1.8 4.70 1021 630 A 557 GLY HAy A 560 GLN H 1.0 1.8 4.70 1022 631 A 557 GLY H A 560 GLN HBy 1.0 1.8 5.40 1023 631 A 557 GLY H A 560 GLN HBx 1.0 1.8 5.40 1024 632 A 558 LEU H A 558 LEU HBx 1.0 1.8 3.10 1025 632 A 558 LEU HBy A 558 LEU H 1.0 1.8 3.10 1026 633 A 558 LEU HBx A 558 LEU HDx% 1.0 1.8 3.10 1027 633 A 558 LEU HBy A 558 LEU HDx% 1.0 1.8 3.10 1028 633 A 558 LEU HD21 A 558 LEU HBx 1.0 1.8 3.10 1029 633 A 558 LEU HD21 A 558 LEU HBy 1.0 1.8 3.10 1030 634 A 558 LEU H A 558 LEU HG 1.0 1.8 3.20 1031 635 A 558 LEU H A 558 LEU HDx% 1.0 1.8 3.40 1032 635 A 558 LEU HD21 A 558 LEU H 1.0 1.8 3.40 1033 636 A 559 ARG H A 558 LEU HDx% 1.0 1.8 3.90 1034 636 A 558 LEU HD21 A 559 ARG H 1.0 1.8 3.90 1035 637 A 558 LEU HDx% A 559 ARG HBy 1.0 1.8 4.30 1036 637 A 558 LEU HD21 A 559 ARG HBy 1.0 1.8 4.30 1037 637 A 559 ARG HBx A 558 LEU HDx% 1.0 1.8 4.30 1038 637 A 558 LEU HD21 A 559 ARG HBx 1.0 1.8 4.30 1039 638 A 558 LEU HDx% A 559 ARG HDx 1.0 1.8 4.30 1040 638 A 558 LEU HD21 A 559 ARG HDx 1.0 1.8 4.30 1041 638 A 559 ARG HDy A 558 LEU HDx% 1.0 1.8 4.30 1042 638 A 558 LEU HD21 A 559 ARG HDy 1.0 1.8 4.30 1043 639 A 558 LEU HG A 559 ARG HDx 1.0 1.8 3.30 1044 639 A 558 LEU HG A 559 ARG HDy 1.0 1.8 3.30 1045 640 A 559 ARG H A 558 LEU HBx 1.0 1.8 3.40 1046 640 A 558 LEU HBy A 559 ARG H 1.0 1.8 3.40 1047 641 A 558 LEU H A 559 ARG HDx 1.0 1.8 5.40 1048 641 A 558 LEU H A 559 ARG HDy 1.0 1.8 5.40 1049 642 A 560 GLN H A 558 LEU HDx% 1.0 1.8 4.40 1050 642 A 558 LEU HD21 A 560 GLN H 1.0 1.8 4.40 1051 643 A 558 LEU HDx% A 560 GLN HE2y 1.0 1.8 4.80 1052 643 A 560 GLN HE2x A 558 LEU HDx% 1.0 1.8 4.80 1053 643 A 558 LEU HD21 A 560 GLN HE2x 1.0 1.8 4.80 1054 643 A 558 LEU HD21 A 560 GLN HE2y 1.0 1.8 4.80 1055 644 A 560 GLN HA A 558 LEU HDx% 1.0 1.8 4.50 1056 644 A 558 LEU HD21 A 560 GLN HA 1.0 1.8 4.50 1057 645 A 559 ARG H A 559 ARG HBy 1.0 1.8 3.70 1058 645 A 559 ARG H A 559 ARG HBx 1.0 1.8 3.70 1059 646 A 559 ARG HBy A 559 ARG HDx 1.0 1.8 3.60 1060 646 A 559 ARG HDy A 559 ARG HBy 1.0 1.8 3.60 1061 646 A 559 ARG HBx A 559 ARG HDy 1.0 1.8 3.60 1062 646 A 559 ARG HBx A 559 ARG HDx 1.0 1.8 3.60 1063 647 A 559 ARG H A 559 ARG HDx 1.0 1.8 4.60 1064 647 A 559 ARG H A 559 ARG HDy 1.0 1.8 4.60 1065 648 A 559 ARG HA A 559 ARG HDx 1.0 1.8 4.20 1066 648 A 559 ARG HDy A 559 ARG HA 1.0 1.8 4.20 1067 649 A 559 ARG HGy A 560 GLN HE2y 1.0 1.8 4.80 1068 649 A 559 ARG HGx A 560 GLN HE2y 1.0 1.8 4.80 1069 649 A 560 GLN HE2x A 559 ARG HGy 1.0 1.8 4.80 1070 649 A 560 GLN HE2x A 559 ARG HGx 1.0 1.8 4.80 1071 650 A 559 ARG HA A 560 GLN HE2y 1.0 1.8 4.40 1072 650 A 560 GLN HE2x A 559 ARG HA 1.0 1.8 4.40 1073 651 A 560 GLN H A 559 ARG HDx 1.0 1.8 4.70 1074 651 A 560 GLN H A 559 ARG HDy 1.0 1.8 4.70 1075 652 A 559 ARG HBx A 560 GLN HE2y 1.0 1.8 5.00 1076 652 A 559 ARG HBy A 560 GLN HE2y 1.0 1.8 5.00 1077 652 A 560 GLN HE2x A 559 ARG HBy 1.0 1.8 5.00 1078 652 A 560 GLN HE2x A 559 ARG HBx 1.0 1.8 5.00 1079 653 A 559 ARG H A 560 GLN HGx 1.0 1.8 4.50 1080 653 A 560 GLN HGy A 559 ARG H 1.0 1.8 4.50 1081 654 A 560 GLN H A 559 ARG HGy 1.0 1.8 3.60 1082 654 A 560 GLN H A 559 ARG HGx 1.0 1.8 3.60 1083 655 A 560 GLN HA A 559 ARG HGy 1.0 1.8 4.70 1084 655 A 560 GLN HA A 559 ARG HGx 1.0 1.8 4.70 1085 656 A 559 ARG HDy A 560 GLN HBy 1.0 1.8 5.00 1086 656 A 560 GLN HBx A 559 ARG HDx 1.0 1.8 5.00 1087 656 A 560 GLN HBx A 559 ARG HDy 1.0 1.8 5.00 1088 656 A 559 ARG HDx A 560 GLN HBy 1.0 1.8 5.00 1089 657 A 560 GLN H A 559 ARG HA 1.0 1.8 2.70 1090 658 A 559 ARG HDy A 560 GLN HE2y 1.0 1.8 5.40 1091 658 A 560 GLN HE2x A 559 ARG HDx 1.0 1.8 5.40 1092 658 A 560 GLN HE2x A 559 ARG HDy 1.0 1.8 5.40 1093 658 A 559 ARG HDx A 560 GLN HE2y 1.0 1.8 5.40 1094 659 A 560 GLN HE2x A 560 GLN HGx 1.0 1.8 3.10 1095 659 A 560 GLN HE2y A 560 GLN HGx 1.0 1.8 3.10 1096 659 A 560 GLN HGy A 560 GLN HE2y 1.0 1.8 3.10 1097 659 A 560 GLN HGy A 560 GLN HE2x 1.0 1.8 3.10 1098 660 A 560 GLN H A 560 GLN HBy 1.0 1.8 2.90 1099 660 A 560 GLN H A 560 GLN HBx 1.0 1.8 2.90 1100 661 A 560 GLN H A 560 GLN HGx 1.0 1.8 3.30 1101 661 A 560 GLN HGy A 560 GLN H 1.0 1.8 3.30 1102 662 A 560 GLN H A 560 GLN HBx 1.0 1.8 3.70 1103 663 A 560 GLN H A 560 GLN HBy 1.0 1.8 3.70 1104 664 A 560 GLN HA A 560 GLN HGx 1.0 1.8 3.80 1105 664 A 560 GLN HA A 560 GLN HGy 1.0 1.8 3.80 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 534 TYR C A 535 PHE N A 535 PHE CA A 535 PHE C 1.0 -120.00 -60.00 PHI 2 2 A 536 GLY C A 537 PRO N A 537 PRO CA A 537 PRO C 1.0 -97.00 -37.00 PHI 3 3 A 537 PRO C A 538 ALA N A 538 ALA CA A 538 ALA C 1.0 -102.00 -42.00 PHI 4 4 A 538 ALA C A 539 ALA N A 539 ALA CA A 539 ALA C 1.0 -100.00 -40.00 PHI 5 5 A 534 TYR N A 534 TYR CA A 534 TYR C A 535 PHE N 1.0 -54.00 6.00 PSI 6 6 A 535 PHE N A 535 PHE CA A 535 PHE C A 536 GLY N 1.0 -43.00 17.00 PSI 7 7 A 537 PRO N A 537 PRO CA A 537 PRO C A 538 ALA N 1.0 -57.00 3.00 PSI 8 8 A 538 ALA N A 538 ALA CA A 538 ALA C A 539 ALA N 1.0 -52.00 8.00 PSI 9 9 A 544 ILE N A 544 ILE CA A 544 ILE C A 545 GLU N 1.0 -76.20 -16.20 PSI 10 10 A 518 TRP C A 519 THR N A 519 THR CA A 519 THR C 1.0 -94.54 -34.54 PHI 11 11 A 520 THR C A 521 GLN N A 521 GLN CA A 521 GLN C 1.0 -99.61 -39.61 PHI 12 12 A 521 GLN C A 522 ASP N A 522 ASP CA A 522 ASP C 1.0 -102.63 -42.63 PHI 13 13 A 529 LEU C A 530 ALA N A 530 ALA CA A 530 ALA C 1.0 -78.55 -18.55 PHI stop_ save_