data_nef_c15016_2jmf 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 1TK7 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 505 GLY start . false 2 A 506 PRO middle . false 3 A 507 LEU middle . . 4 A 508 GLY middle . false 5 A 509 SER middle . . 6 A 510 PRO middle . false 7 A 511 GLU middle . . 8 A 512 PHE middle . . 9 A 513 HIS middle . . 10 A 514 MET middle . . 11 A 515 VAL middle . . 12 A 516 SER middle . . 13 A 517 LEU middle . . 14 A 518 ILE middle . . 15 A 519 ASN middle . . 16 A 520 GLU middle . . 17 A 521 GLY middle . false 18 A 522 PRO middle . false 19 A 523 LEU middle . . 20 A 524 PRO middle . false 21 A 525 PRO middle . false 22 A 526 GLY middle . false 23 A 527 TRP middle . . 24 A 528 GLU middle . . 25 A 529 ILE middle . . 26 A 530 ARG middle . . 27 A 531 TYR middle . . 28 A 532 THR middle . . 29 A 533 ALA middle . . 30 A 534 ALA middle . . 31 A 535 GLY middle . false 32 A 536 GLU middle . . 33 A 537 ARG middle . . 34 A 538 PHE middle . . 35 A 539 PHE middle . . 36 A 540 VAL middle . . 37 A 541 ASP middle . . 38 A 542 HIS middle . . 39 A 543 ASN middle . . 40 A 544 THR middle . . 41 A 545 ARG middle . . 42 A 546 ARG middle . . 43 A 547 THR middle . . 44 A 548 THR middle . . 45 A 549 PHE middle . . 46 A 550 GLU middle . . 47 A 551 ASP middle . . 48 A 552 PRO middle . false 49 A 553 ARG middle . . 50 A 554 PRO middle . false 51 A 555 GLY middle . false 52 A 556 ALA middle . . 53 A 557 PRO end . false 54 B 2313 GLY start . false 55 B 2314 PRO middle . false 56 B 2315 LEU middle . . 57 B 2316 GLY middle . false 58 B 2317 SER middle . . 59 B 2318 PRO middle . false 60 B 2319 ASN middle . . 61 B 2320 THR middle . . 62 B 2321 GLY middle . false 63 B 2322 ALA middle . . 64 B 2323 LYS middle . . 65 B 2324 GLN middle . . 66 B 2325 PRO middle . false 67 B 2326 PRO middle . false 68 B 2327 SER middle . . 69 B 2328 TYR middle . . 70 B 2329 GLU middle . . 71 B 2330 ASP middle . . 72 B 2331 CYS middle . . 73 B 2332 ILE middle . . 74 B 2333 LYS 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 506 PRO HA H 1 4.447 0.020 A 506 PRO HBy H 1 2.291 0.020 A 506 PRO HBx H 1 1.924 0.020 A 506 PRO HDx H 1 3.575 0.020 A 506 PRO HGx H 1 2.001 0.020 A 506 PRO C C 13 176.916 0.300 A 506 PRO CA C 13 63.086 0.300 A 506 PRO CB C 13 32.146 0.300 A 506 PRO CD C 13 49.720 0.300 A 506 PRO CG C 13 26.747 0.300 A 507 LEU H H 1 8.527 0.020 A 507 LEU HA H 1 4.293 0.020 A 507 LEU HBy H 1 1.664 0.020 A 507 LEU HBx H 1 1.598 0.020 A 507 LEU HDx% H 1 0.878 0.020 A 507 LEU HDy% H 1 0.920 0.020 A 507 LEU HG H 1 1.632 0.020 A 507 LEU CA C 13 55.390 0.300 A 507 LEU CB C 13 42.195 0.300 A 507 LEU CDx C 13 23.489 0.300 A 507 LEU CDy C 13 23.489 0.300 A 507 LEU CG C 13 26.647 0.300 A 507 LEU N N 15 122.390 0.300 A 508 GLY H H 1 8.410 0.020 A 508 GLY HAx H 1 3.953 0.020 A 508 GLY C C 13 173.820 0.300 A 508 GLY CA C 13 45.039 0.300 A 508 GLY N N 15 109.838 0.300 A 509 SER H H 1 8.156 0.020 A 509 SER HA H 1 4.762 0.020 A 509 SER HBx H 1 3.837 0.020 A 509 SER C C 13 172.950 0.300 A 509 SER CA C 13 56.483 0.300 A 509 SER CB C 13 63.368 0.300 A 509 SER N N 15 116.892 0.300 A 510 PRO HA H 1 4.515 0.020 A 510 PRO HBy H 1 1.802 0.020 A 510 PRO HDx H 1 3.575 0.020 A 510 PRO HGy H 1 2.073 0.020 A 510 PRO HGx H 1 2.008 0.020 A 510 PRO C C 13 176.833 0.300 A 510 PRO CA C 13 63.761 0.300 A 510 PRO CB C 13 31.425 0.300 A 510 PRO CD C 13 49.484 0.300 A 510 PRO CG C 13 27.068 0.300 A 511 GLU H H 1 8.454 0.020 A 511 GLU HA H 1 4.150 0.020 A 511 GLU HBy H 1 1.882 0.020 A 511 GLU HBx H 1 1.823 0.020 A 511 GLU HGy H 1 2.166 0.020 A 511 GLU HGx H 1 2.083 0.020 A 511 GLU C C 13 176.130 0.300 A 511 GLU CA C 13 56.690 0.300 A 511 GLU CB C 13 29.921 0.300 A 511 GLU CG C 13 35.967 0.300 A 511 GLU N N 15 120.437 0.300 A 512 PHE H H 1 8.130 0.020 A 512 PHE HA H 1 4.585 0.020 A 512 PHE HBx H 1 2.995 0.020 A 512 PHE HBy H 1 3.062 0.020 A 512 PHE HDx H 1 7.163 0.020 A 512 PHE HEx H 1 7.310 0.020 A 512 PHE HZ H 1 7.271 0.020 A 512 PHE C C 13 176.147 0.300 A 512 PHE CA C 13 57.711 0.300 A 512 PHE CB C 13 39.587 0.300 A 512 PHE CDx C 13 131.500 0.300 A 512 PHE CDy C 13 131.500 0.300 A 512 PHE CEx C 13 131.000 0.300 A 512 PHE CEy C 13 131.000 0.300 A 512 PHE CZ C 13 129.752 0.300 A 512 PHE N N 15 121.014 0.300 A 513 HIS H H 1 8.273 0.020 A 513 HIS HA H 1 4.601 0.020 A 513 HIS HBx H 1 3.029 0.020 A 513 HIS HBy H 1 3.124 0.020 A 513 HIS HD2 H 1 7.110 0.020 A 513 HIS HE1 H 1 8.320 0.020 A 513 HIS C C 13 173.971 0.300 A 513 HIS CA C 13 55.307 0.300 A 513 HIS CB C 13 30.044 0.300 A 513 HIS CD2 C 13 119.910 0.300 A 513 HIS CE1 C 13 137.040 0.300 A 513 HIS N N 15 120.893 0.300 A 514 MET H H 1 8.312 0.020 A 514 MET HA H 1 4.407 0.020 A 514 MET HBx H 1 2.001 0.020 A 514 MET HGx H 1 2.296 0.020 A 514 MET HGy H 1 2.499 0.020 A 514 MET C C 13 176.046 0.300 A 514 MET CA C 13 55.618 0.300 A 514 MET CB C 13 32.683 0.300 A 514 MET CG C 13 31.647 0.300 A 514 MET N N 15 122.007 0.300 A 515 VAL H H 1 8.219 0.020 A 515 VAL HA H 1 4.157 0.020 A 515 VAL HB H 1 2.074 0.020 A 515 VAL HGx% H 1 0.918 0.020 A 515 VAL HGy% H 1 0.918 0.020 A 515 VAL C C 13 175.962 0.300 A 515 VAL CA C 13 62.395 0.300 A 515 VAL CB C 13 32.836 0.300 A 515 VAL CGx C 13 20.433 0.300 A 515 VAL CGy C 13 20.433 0.300 A 515 VAL N N 15 121.733 0.300 A 516 SER H H 1 8.377 0.020 A 516 SER HA H 1 4.505 0.020 A 516 SER HBx H 1 3.837 0.020 A 516 SER HG H 1 4.788 0.020 A 516 SER C C 13 174.423 0.300 A 516 SER CA C 13 58.197 0.300 A 516 SER CB C 13 63.675 0.300 A 516 SER N N 15 119.341 0.300 A 517 LEU H H 1 8.385 0.020 A 517 LEU HA H 1 4.389 0.020 A 517 LEU HBx H 1 1.609 0.020 A 517 LEU HDx% H 1 0.931 0.020 A 517 LEU HDy% H 1 0.865 0.020 A 517 LEU HG H 1 1.657 0.020 A 517 LEU C C 13 177.346 0.300 A 517 LEU CA C 13 55.203 0.300 A 517 LEU CB C 13 42.195 0.300 A 517 LEU CDy C 13 24.880 0.300 A 517 LEU CDx C 13 23.151 0.300 A 517 LEU CG C 13 26.619 0.300 A 517 LEU N N 15 124.819 0.300 A 518 ILE H H 1 8.057 0.020 A 518 ILE HA H 1 4.160 0.020 A 518 ILE HB H 1 1.841 0.020 A 518 ILE HD1% H 1 0.853 0.020 A 518 ILE HG1x H 1 1.157 0.020 A 518 ILE HG1y H 1 1.455 0.020 A 518 ILE HG2% H 1 0.889 0.020 A 518 ILE C C 13 175.795 0.300 A 518 ILE CA C 13 61.219 0.300 A 518 ILE CB C 13 38.743 0.300 A 518 ILE CD1 C 13 12.947 0.300 A 518 ILE CG1 C 13 27.423 0.300 A 518 ILE CG2 C 13 17.488 0.300 A 518 ILE N N 15 120.508 0.300 A 519 ASN H H 1 8.467 0.020 A 519 ASN HA H 1 4.723 0.020 A 519 ASN HBx H 1 2.735 0.020 A 519 ASN HBy H 1 2.836 0.020 A 519 ASN HD2x H 1 6.875 0.020 A 519 ASN HD2y H 1 7.599 0.020 A 519 ASN C C 13 174.885 0.300 A 519 ASN CA C 13 53.235 0.300 A 519 ASN CB C 13 38.849 0.300 A 519 ASN N N 15 122.226 0.300 A 519 ASN ND2 N 15 112.786 0.300 A 520 GLU H H 1 8.338 0.020 A 520 GLU HA H 1 4.345 0.020 A 520 GLU HBy H 1 2.082 0.020 A 520 GLU HBx H 1 1.932 0.020 A 520 GLU HGx H 1 2.262 0.020 A 520 GLU C C 13 176.481 0.300 A 520 GLU CA C 13 56.344 0.300 A 520 GLU CB C 13 30.784 0.300 A 520 GLU CG C 13 36.161 0.300 A 520 GLU N N 15 121.331 0.300 A 521 GLY H H 1 8.333 0.020 A 521 GLY HAx H 1 3.967 0.020 A 521 GLY HAy H 1 4.137 0.020 A 521 GLY C C 13 171.394 0.300 A 521 GLY CA C 13 44.175 0.300 A 521 GLY N N 15 108.933 0.300 A 522 PRO HA H 1 4.450 0.020 A 522 PRO HBy H 1 2.255 0.020 A 522 PRO HBx H 1 1.870 0.020 A 522 PRO HDx H 1 3.578 0.020 A 522 PRO HGx H 1 1.995 0.020 A 522 PRO C C 13 177.686 0.300 A 522 PRO CA C 13 62.600 0.300 A 522 PRO CB C 13 31.690 0.300 A 522 PRO CD C 13 49.676 0.300 A 522 PRO CG C 13 27.108 0.300 A 523 LEU H H 1 8.663 0.020 A 523 LEU HA H 1 4.207 0.020 A 523 LEU HBx H 1 1.782 0.020 A 523 LEU HBy H 1 1.823 0.020 A 523 LEU HDx% H 1 0.826 0.020 A 523 LEU HDy% H 1 1.082 0.020 A 523 LEU HG H 1 1.529 0.020 A 523 LEU C C 13 174.325 0.300 A 523 LEU CA C 13 52.810 0.300 A 523 LEU CB C 13 41.757 0.300 A 523 LEU CDx C 13 22.975 0.300 A 523 LEU CDy C 13 25.929 0.300 A 523 LEU CG C 13 26.750 0.300 A 523 LEU N N 15 122.628 0.300 A 524 PRO HA H 1 4.130 0.020 A 524 PRO HBy H 1 1.756 0.020 A 524 PRO HBx H 1 1.521 0.020 A 524 PRO HDx H 1 2.729 0.020 A 524 PRO HDy H 1 3.252 0.020 A 524 PRO HGx H 1 0.677 0.020 A 524 PRO HGy H 1 1.597 0.020 A 524 PRO CA C 13 61.418 0.300 A 524 PRO CB C 13 41.686 0.300 A 524 PRO CD C 13 49.689 0.300 A 524 PRO CG C 13 29.488 0.300 A 525 PRO HA H 1 4.510 0.020 A 525 PRO HBy H 1 2.416 0.020 A 525 PRO HBx H 1 2.081 0.020 A 525 PRO HDy H 1 3.870 0.020 A 525 PRO HDx H 1 3.650 0.020 A 525 PRO HGx H 1 2.101 0.020 A 525 PRO HGy H 1 2.225 0.020 A 525 PRO C C 13 178.807 0.300 A 525 PRO CA C 13 63.990 0.300 A 525 PRO CB C 13 31.690 0.300 A 525 PRO CD C 13 49.900 0.300 A 525 PRO CG C 13 27.825 0.300 A 526 GLY H H 1 9.100 0.020 A 526 GLY HAx H 1 3.915 0.020 A 526 GLY HAy H 1 4.280 0.020 A 526 GLY C C 13 172.180 0.300 A 526 GLY CA C 13 45.938 0.300 A 526 GLY N N 15 112.662 0.300 A 527 TRP H H 1 7.660 0.020 A 527 TRP HA H 1 6.156 0.020 A 527 TRP HBx H 1 3.151 0.020 A 527 TRP HBy H 1 3.270 0.020 A 527 TRP HD1 H 1 7.096 0.020 A 527 TRP HE1 H 1 10.437 0.020 A 527 TRP HE3 H 1 7.021 0.020 A 527 TRP HH2 H 1 7.057 0.020 A 527 TRP HZ2 H 1 7.309 0.020 A 527 TRP HZ3 H 1 6.790 0.020 A 527 TRP C C 13 177.669 0.300 A 527 TRP CA C 13 56.102 0.300 A 527 TRP CB C 13 31.993 0.300 A 527 TRP CD1 C 13 127.626 0.300 A 527 TRP CE3 C 13 132.421 0.300 A 527 TRP CH2 C 13 123.859 0.300 A 527 TRP CZ2 C 13 115.653 0.300 A 527 TRP CZ3 C 13 120.962 0.300 A 527 TRP N N 15 117.398 0.300 A 527 TRP NE1 N 15 130.167 0.300 A 528 GLU H H 1 9.394 0.020 A 528 GLU HA H 1 4.841 0.020 A 528 GLU HBx H 1 1.944 0.020 A 528 GLU HBy H 1 2.128 0.020 A 528 GLU HGx H 1 2.249 0.020 A 528 GLU C C 13 174.306 0.300 A 528 GLU CA C 13 55.100 0.300 A 528 GLU CB C 13 35.448 0.300 A 528 GLU CG C 13 30.557 0.300 A 528 GLU N N 15 119.169 0.300 A 529 ILE H H 1 8.608 0.020 A 529 ILE HA H 1 4.267 0.020 A 529 ILE HB H 1 1.482 0.020 A 529 ILE HD1% H 1 0.943 0.020 A 529 ILE HG1x H 1 1.083 0.020 A 529 ILE HG1y H 1 1.083 0.020 A 529 ILE HG2% H 1 0.493 0.020 A 529 ILE C C 13 175.176 0.300 A 529 ILE CA C 13 60.990 0.300 A 529 ILE CB C 13 39.473 0.300 A 529 ILE CD1 C 13 13.839 0.300 A 529 ILE CG1 C 13 25.980 0.300 A 529 ILE CG2 C 13 17.471 0.300 A 529 ILE N N 15 123.103 0.300 A 530 ARG H H 1 8.016 0.020 A 530 ARG HA H 1 4.254 0.020 A 530 ARG HBy H 1 1.241 0.020 A 530 ARG HBx H 1 -0.120 0.020 A 530 ARG HDy H 1 3.199 0.020 A 530 ARG HDx H 1 2.936 0.020 A 530 ARG HGy H 1 1.216 0.020 A 530 ARG HGx H 1 1.067 0.020 A 530 ARG C C 13 171.678 0.300 A 530 ARG CA C 13 53.060 0.300 A 530 ARG CB C 13 35.215 0.300 A 530 ARG CD C 13 42.899 0.300 A 530 ARG CG C 13 27.887 0.300 A 530 ARG N N 15 126.943 0.300 A 531 TYR H H 1 8.056 0.020 A 531 TYR HA H 1 5.469 0.020 A 531 TYR HBx H 1 2.618 0.020 A 531 TYR HBy H 1 2.752 0.020 A 531 TYR HDx H 1 6.807 0.020 A 531 TYR HEx H 1 6.670 0.020 A 531 TYR C C 13 178.222 0.300 A 531 TYR CA C 13 56.344 0.300 A 531 TYR CB C 13 42.195 0.300 A 531 TYR CDx C 13 132.860 0.300 A 531 TYR CDy C 13 132.860 0.300 A 531 TYR CEx C 13 117.540 0.300 A 531 TYR CEy C 13 117.540 0.300 A 531 TYR N N 15 114.289 0.300 A 532 THR H H 1 9.564 0.020 A 532 THR HA H 1 4.635 0.020 A 532 THR HB H 1 4.970 0.020 A 532 THR HG2% H 1 1.514 0.020 A 532 THR C C 13 176.916 0.300 A 532 THR CA C 13 60.804 0.300 A 532 THR CB C 13 71.807 0.300 A 532 THR CG2 C 13 22.299 0.300 A 532 THR N N 15 113.529 0.300 A 533 ALA H H 1 9.315 0.020 A 533 ALA HA H 1 4.208 0.020 A 533 ALA HB% H 1 1.522 0.020 A 533 ALA C C 13 178.389 0.300 A 533 ALA CA C 13 54.961 0.300 A 533 ALA CB C 13 17.724 0.300 A 533 ALA N N 15 125.088 0.300 A 534 ALA H H 1 7.650 0.020 A 534 ALA HA H 1 4.459 0.020 A 534 ALA HB% H 1 1.434 0.020 A 534 ALA C C 13 177.666 0.300 A 534 ALA CA C 13 51.746 0.300 A 534 ALA CB C 13 18.579 0.300 A 534 ALA N N 15 117.317 0.300 A 535 GLY H H 1 8.276 0.020 A 535 GLY HAx H 1 3.681 0.020 A 535 GLY HAy H 1 4.242 0.020 A 535 GLY C C 13 174.440 0.300 A 535 GLY CA C 13 45.454 0.300 A 535 GLY N N 15 107.844 0.300 A 536 GLU H H 1 7.778 0.020 A 536 GLU HA H 1 4.538 0.020 A 536 GLU HBx H 1 2.204 0.020 A 536 GLU HGx H 1 2.125 0.020 A 536 GLU C C 13 175.979 0.300 A 536 GLU CA C 13 55.597 0.300 A 536 GLU CB C 13 30.228 0.300 A 536 GLU CG C 13 36.065 0.300 A 536 GLU N N 15 120.074 0.300 A 537 ARG H H 1 8.866 0.020 A 537 ARG HA H 1 4.130 0.020 A 537 ARG HBx H 1 1.620 0.020 A 537 ARG HBy H 1 1.760 0.020 A 537 ARG HDx H 1 3.179 0.020 A 537 ARG HGx H 1 1.621 0.020 A 537 ARG C C 13 175.444 0.300 A 537 ARG CA C 13 56.344 0.300 A 537 ARG CB C 13 31.200 0.300 A 537 ARG CD C 13 42.888 0.300 A 537 ARG CG C 13 26.422 0.300 A 537 ARG N N 15 127.005 0.300 A 538 PHE H H 1 8.987 0.020 A 538 PHE HA H 1 4.761 0.020 A 538 PHE HBx H 1 2.528 0.020 A 538 PHE HBy H 1 2.936 0.020 A 538 PHE HDx H 1 6.940 0.020 A 538 PHE HEx H 1 6.979 0.020 A 538 PHE HZ H 1 6.979 0.020 A 538 PHE C C 13 169.687 0.300 A 538 PHE CA C 13 55.964 0.300 A 538 PHE CB C 13 40.968 0.300 A 538 PHE CDy C 13 132.830 0.300 A 538 PHE CDx C 13 132.825 0.300 A 538 PHE CEx C 13 131.360 0.300 A 538 PHE CEy C 13 131.360 0.300 A 538 PHE CZ C 13 129.034 0.300 A 538 PHE N N 15 122.393 0.300 A 539 PHE H H 1 9.160 0.020 A 539 PHE HA H 1 5.221 0.020 A 539 PHE HBx H 1 3.319 0.020 A 539 PHE HDx H 1 7.048 0.020 A 539 PHE HEx H 1 7.113 0.020 A 539 PHE HZ H 1 7.154 0.020 A 539 PHE C C 13 174.423 0.300 A 539 PHE CA C 13 56.794 0.300 A 539 PHE CB C 13 41.828 0.300 A 539 PHE CDx C 13 132.414 0.300 A 539 PHE CDy C 13 132.421 0.300 A 539 PHE CEx C 13 128.296 0.300 A 539 PHE CEy C 13 128.296 0.300 A 539 PHE CZ C 13 130.642 0.300 A 539 PHE N N 15 115.715 0.300 A 540 VAL H H 1 9.300 0.020 A 540 VAL HA H 1 4.171 0.020 A 540 VAL HB H 1 1.752 0.020 A 540 VAL HGx% H 1 0.307 0.020 A 540 VAL HGy% H 1 0.645 0.020 A 540 VAL C C 13 173.034 0.300 A 540 VAL CA C 13 61.219 0.300 A 540 VAL CB C 13 33.987 0.300 A 540 VAL CGx C 13 20.594 0.300 A 540 VAL CGy C 13 21.528 0.300 A 540 VAL N N 15 122.603 0.300 A 541 ASP H H 1 8.428 0.020 A 541 ASP HA H 1 3.746 0.020 A 541 ASP HBy H 1 1.910 0.020 A 541 ASP HBx H 1 0.019 0.020 A 541 ASP C C 13 177.602 0.300 A 541 ASP CA C 13 51.177 0.300 A 541 ASP CB C 13 39.280 0.300 A 541 ASP N N 15 124.308 0.300 A 542 HIS H H 1 8.858 0.020 A 542 HIS HA H 1 4.259 0.020 A 542 HIS HBx H 1 3.090 0.020 A 542 HIS HBy H 1 3.295 0.020 A 542 HIS HD2 H 1 6.899 0.020 A 542 HIS HE1 H 1 7.540 0.020 A 542 HIS C C 13 176.979 0.300 A 542 HIS CA C 13 58.689 0.300 A 542 HIS CB C 13 29.921 0.300 A 542 HIS CD2 C 13 119.080 0.300 A 542 HIS CE1 C 13 137.870 0.300 A 542 HIS N N 15 122.468 0.300 A 543 ASN H H 1 8.371 0.020 A 543 ASN HA H 1 4.345 0.020 A 543 ASN HBx H 1 2.661 0.020 A 543 ASN HBy H 1 3.304 0.020 A 543 ASN HD2x H 1 7.888 0.020 A 543 ASN HD2y H 1 7.964 0.020 A 543 ASN C C 13 177.017 0.300 A 543 ASN CA C 13 56.102 0.300 A 543 ASN CB C 13 38.436 0.300 A 543 ASN N N 15 115.105 0.300 A 543 ASN ND2 N 15 118.562 0.300 A 544 THR H H 1 6.474 0.020 A 544 THR HA H 1 4.215 0.020 A 544 THR HB H 1 4.136 0.020 A 544 THR HG2% H 1 1.065 0.020 A 544 THR C C 13 173.636 0.300 A 544 THR CA C 13 60.804 0.300 A 544 THR CB C 13 69.848 0.300 A 544 THR CG2 C 13 21.192 0.300 A 544 THR N N 15 103.262 0.300 A 545 ARG H H 1 7.310 0.020 A 545 ARG HA H 1 4.353 0.020 A 545 ARG HBy H 1 2.078 0.020 A 545 ARG HBx H 1 1.808 0.020 A 545 ARG HDx H 1 3.180 0.020 A 545 ARG HGy H 1 1.735 0.020 A 545 ARG HGx H 1 1.632 0.020 A 545 ARG C C 13 173.737 0.300 A 545 ARG CA C 13 56.586 0.300 A 545 ARG CB C 13 30.601 0.300 A 545 ARG CD C 13 43.345 0.300 A 545 ARG CG C 13 27.125 0.300 A 545 ARG N N 15 118.319 0.300 A 546 ARG H H 1 7.283 0.020 A 546 ARG HA H 1 4.880 0.020 A 546 ARG HBy H 1 1.660 0.020 A 546 ARG HBx H 1 1.520 0.020 A 546 ARG HDx H 1 3.154 0.020 A 546 ARG HGx H 1 1.456 0.020 A 546 ARG C C 13 174.691 0.300 A 546 ARG CA C 13 54.547 0.300 A 546 ARG CB C 13 34.970 0.300 A 546 ARG CD C 13 42.805 0.300 A 546 ARG CG C 13 26.820 0.300 A 546 ARG N N 15 116.680 0.300 A 547 THR H H 1 8.081 0.020 A 547 THR HA H 1 5.464 0.020 A 547 THR HB H 1 4.142 0.020 A 547 THR HG2% H 1 1.246 0.020 A 547 THR C C 13 173.904 0.300 A 547 THR CA C 13 58.764 0.300 A 547 THR CB C 13 71.500 0.300 A 547 THR CG2 C 13 23.099 0.300 A 547 THR N N 15 109.823 0.300 A 548 THR H H 1 9.200 0.020 A 548 THR HA H 1 4.723 0.020 A 548 THR HB H 1 4.475 0.020 A 548 THR HG2% H 1 1.569 0.020 A 548 THR C C 13 172.448 0.300 A 548 THR CA C 13 60.043 0.300 A 548 THR CB C 13 68.891 0.300 A 548 THR CG2 C 13 19.077 0.300 A 548 THR N N 15 114.236 0.300 A 549 PHE H H 1 9.362 0.020 A 549 PHE HA H 1 5.100 0.020 A 549 PHE HBx H 1 3.020 0.020 A 549 PHE HBy H 1 3.622 0.020 A 549 PHE HDx H 1 7.688 0.020 A 549 PHE HEx H 1 6.970 0.020 A 549 PHE HZ H 1 6.972 0.020 A 549 PHE C C 13 175.962 0.300 A 549 PHE CA C 13 60.285 0.300 A 549 PHE CB C 13 39.396 0.300 A 549 PHE CDx C 13 131.610 0.300 A 549 PHE CDy C 13 132.566 0.300 A 549 PHE CEy C 13 132.000 0.300 A 549 PHE CEx C 13 131.240 0.300 A 549 PHE CZ C 13 128.491 0.300 A 549 PHE N N 15 125.313 0.300 A 550 GLU H H 1 8.984 0.020 A 550 GLU HA H 1 4.202 0.020 A 550 GLU HBx H 1 1.944 0.020 A 550 GLU HGy H 1 2.208 0.020 A 550 GLU HGx H 1 2.089 0.020 A 550 GLU C C 13 174.071 0.300 A 550 GLU CA C 13 56.379 0.300 A 550 GLU CB C 13 29.921 0.300 A 550 GLU CG C 13 35.803 0.300 A 550 GLU N N 15 123.307 0.300 A 551 ASP H H 1 8.136 0.020 A 551 ASP HA H 1 4.202 0.020 A 551 ASP HBy H 1 2.643 0.020 A 551 ASP HBx H 1 2.317 0.020 A 551 ASP C C 13 175.360 0.300 A 551 ASP CA C 13 50.329 0.300 A 551 ASP CB C 13 41.889 0.300 A 551 ASP N N 15 128.461 0.300 A 552 PRO HA H 1 4.290 0.020 A 552 PRO HBy H 1 1.814 0.020 A 552 PRO HDx H 1 3.727 0.020 A 552 PRO HDy H 1 3.807 0.020 A 552 PRO HGx H 1 1.985 0.020 A 552 PRO C C 13 176.916 0.300 A 552 PRO CA C 13 63.450 0.300 A 552 PRO CB C 13 31.690 0.300 A 552 PRO CD C 13 50.390 0.300 A 552 PRO CG C 13 27.221 0.300 A 553 ARG H H 1 8.255 0.020 A 553 ARG HA H 1 4.255 0.020 A 553 ARG HBx H 1 1.740 0.020 A 553 ARG HBy H 1 1.840 0.020 A 553 ARG HDx H 1 3.179 0.020 A 553 ARG HGx H 1 1.614 0.020 A 553 ARG C C 13 176.498 0.300 A 553 ARG CA C 13 56.068 0.300 A 553 ARG CB C 13 30.382 0.300 A 553 ARG CD C 13 43.100 0.300 A 553 ARG CG C 13 26.820 0.300 A 553 ARG N N 15 120.181 0.300 B 2313 GLY HAx H 1 3.995 0.020 B 2313 GLY CA C 13 43.390 0.300 B 2314 PRO HA H 1 4.467 0.020 B 2314 PRO HBy H 1 2.300 0.020 B 2314 PRO HBx H 1 1.931 0.020 B 2314 PRO HDx H 1 3.574 0.020 B 2314 PRO HGx H 1 2.002 0.020 B 2314 PRO C C 13 177.557 0.300 B 2314 PRO CA C 13 63.110 0.300 B 2314 PRO CB C 13 32.150 0.300 B 2314 PRO CD C 13 49.433 0.300 B 2314 PRO CG C 13 26.886 0.300 B 2315 LEU H H 1 8.552 0.020 B 2315 LEU HA H 1 4.338 0.020 B 2315 LEU HBx H 1 1.602 0.020 B 2315 LEU HBy H 1 1.681 0.020 B 2315 LEU HDx% H 1 0.892 0.020 B 2315 LEU HDy% H 1 0.945 0.020 B 2315 LEU HG H 1 1.638 0.020 B 2315 LEU C C 13 178.813 0.300 B 2315 LEU CA C 13 55.419 0.300 B 2315 LEU CB C 13 42.206 0.300 B 2315 LEU CDx C 13 23.482 0.300 B 2315 LEU CDy C 13 24.550 0.300 B 2315 LEU CG C 13 26.747 0.300 B 2315 LEU N N 15 122.511 0.300 B 2316 GLY H H 1 8.428 0.020 B 2316 GLY HAx H 1 3.954 0.020 B 2316 GLY C C 13 172.941 0.300 B 2316 GLY CA C 13 45.000 0.300 B 2316 GLY N N 15 109.901 0.300 B 2317 SER H H 1 8.219 0.020 B 2317 SER HA H 1 4.778 0.020 B 2317 SER HBy H 1 3.869 0.020 B 2317 SER HBx H 1 3.837 0.020 B 2317 SER C C 13 171.585 0.300 B 2317 SER CA C 13 56.405 0.300 B 2317 SER CB C 13 63.396 0.300 B 2317 SER N N 15 116.901 0.300 B 2318 PRO HA H 1 4.466 0.020 B 2318 PRO HBx H 1 2.295 0.020 B 2318 PRO HDx H 1 3.715 0.020 B 2318 PRO HDy H 1 3.812 0.020 B 2318 PRO HGx H 1 2.020 0.020 B 2318 PRO C C 13 177.173 0.300 B 2318 PRO CA C 13 63.182 0.300 B 2318 PRO CB C 13 32.193 0.300 B 2318 PRO CD C 13 50.767 0.300 B 2318 PRO CG C 13 27.156 0.300 B 2319 ASN H H 1 8.579 0.020 B 2319 ASN HA H 1 4.762 0.020 B 2319 ASN HBx H 1 2.782 0.020 B 2319 ASN HBy H 1 2.873 0.020 B 2319 ASN HD2x H 1 6.960 0.020 B 2319 ASN HD2y H 1 7.634 0.020 B 2319 ASN C C 13 175.568 0.300 B 2319 ASN CA C 13 53.280 0.300 B 2319 ASN CB C 13 38.447 0.300 B 2319 ASN N N 15 118.867 0.300 B 2319 ASN ND2 N 15 113.000 0.300 B 2320 THR H H 1 8.173 0.020 B 2320 THR HA H 1 4.334 0.020 B 2320 THR HB H 1 4.306 0.020 B 2320 THR HG2% H 1 1.201 0.020 B 2320 THR C C 13 174.872 0.300 B 2320 THR CA C 13 62.200 0.300 B 2320 THR CB C 13 69.735 0.300 B 2320 THR CG2 C 13 21.498 0.300 B 2320 THR N N 15 114.072 0.300 B 2321 GLY H H 1 8.441 0.020 B 2321 GLY HAx H 1 3.963 0.020 B 2321 GLY C C 13 172.824 0.300 B 2321 GLY CA C 13 45.173 0.300 B 2321 GLY N N 15 111.100 0.300 B 2322 ALA H H 1 8.166 0.020 B 2322 ALA HA H 1 4.319 0.020 B 2322 ALA HB% H 1 1.399 0.020 B 2322 ALA C C 13 178.592 0.300 B 2322 ALA CA C 13 52.279 0.300 B 2322 ALA CB C 13 19.326 0.300 B 2322 ALA N N 15 123.854 0.300 B 2323 LYS H H 1 8.382 0.020 B 2323 LYS HA H 1 4.334 0.020 B 2323 LYS HBy H 1 1.838 0.020 B 2323 LYS HBx H 1 1.751 0.020 B 2323 LYS HDx H 1 1.602 0.020 B 2323 LYS HGy H 1 1.465 0.020 B 2323 LYS HGx H 1 1.390 0.020 B 2323 LYS HZ1 H 1 2.810 0.020 B 2323 LYS HZ2 H 1 2.810 0.020 B 2323 LYS HZ3 H 1 2.810 0.020 B 2323 LYS C C 13 176.197 0.300 B 2323 LYS CA C 13 56.454 0.300 B 2323 LYS CB C 13 33.077 0.300 B 2323 LYS CD C 13 29.049 0.300 B 2323 LYS CE C 13 41.612 0.300 B 2323 LYS CG C 13 24.869 0.300 B 2323 LYS N N 15 121.360 0.300 B 2324 GLN H H 1 8.461 0.020 B 2324 GLN HA H 1 4.864 0.020 B 2324 GLN HBx H 1 1.798 0.020 B 2324 GLN HBy H 1 2.112 0.020 B 2324 GLN HE2x H 1 6.900 0.020 B 2324 GLN HE2y H 1 7.482 0.020 B 2324 GLN HGx H 1 2.394 0.020 B 2324 GLN C C 13 172.357 0.300 B 2324 GLN CA C 13 52.969 0.300 B 2324 GLN CB C 13 29.620 0.300 B 2324 GLN CG C 13 33.237 0.300 B 2324 GLN N N 15 121.744 0.300 B 2324 GLN NE2 N 15 112.700 0.300 B 2325 PRO HA H 1 4.064 0.020 B 2325 PRO HBx H 1 0.965 0.020 B 2325 PRO HDx H 1 3.338 0.020 B 2325 PRO HGy H 1 1.351 0.020 B 2325 PRO HGx H 1 0.576 0.020 B 2325 PRO CA C 13 60.910 0.300 B 2325 PRO CB C 13 28.521 0.300 B 2325 PRO CD C 13 49.596 0.300 B 2325 PRO CG C 13 25.608 0.300 B 2326 PRO HA H 1 4.140 0.020 B 2326 PRO HBx H 1 2.179 0.020 B 2326 PRO HDx H 1 2.983 0.020 B 2326 PRO HGx H 1 1.515 0.020 B 2326 PRO HGy H 1 1.680 0.020 B 2326 PRO C C 13 174.680 0.300 B 2326 PRO CA C 13 62.730 0.300 B 2326 PRO CB C 13 31.679 0.300 B 2326 PRO CD C 13 48.706 0.300 B 2326 PRO CG C 13 27.592 0.300 B 2327 SER H H 1 8.788 0.020 B 2327 SER HA H 1 4.189 0.020 B 2327 SER HBx H 1 3.985 0.020 B 2327 SER HBy H 1 4.174 0.020 B 2327 SER C C 13 174.513 0.300 B 2327 SER CA C 13 57.834 0.300 B 2327 SER CB C 13 64.458 0.300 B 2327 SER N N 15 118.675 0.300 B 2328 TYR H H 1 9.240 0.020 B 2328 TYR HA H 1 3.586 0.020 B 2328 TYR HBy H 1 2.748 0.020 B 2328 TYR HBx H 1 2.598 0.020 B 2328 TYR HDx H 1 6.605 0.020 B 2328 TYR HDy H 1 6.615 0.020 B 2328 TYR HEx H 1 6.362 0.020 B 2328 TYR HEy H 1 6.372 0.020 B 2328 TYR C C 13 177.825 0.300 B 2328 TYR CA C 13 63.492 0.300 B 2328 TYR CB C 13 39.119 0.300 B 2328 TYR CDy C 13 132.747 0.300 B 2328 TYR CDx C 13 132.707 0.300 B 2328 TYR CEx C 13 118.173 0.300 B 2328 TYR CEy C 13 118.173 0.300 B 2328 TYR N N 15 124.045 0.300 B 2329 GLU H H 1 8.742 0.020 B 2329 GLU HA H 1 3.835 0.020 B 2329 GLU HBx H 1 1.977 0.020 B 2329 GLU HGx H 1 2.340 0.020 B 2329 GLU HGy H 1 2.446 0.020 B 2329 GLU C C 13 179.079 0.300 B 2329 GLU CA C 13 59.588 0.300 B 2329 GLU CB C 13 28.778 0.300 B 2329 GLU CG C 13 37.194 0.300 B 2329 GLU N N 15 115.655 0.300 B 2330 ASP H H 1 7.597 0.020 B 2330 ASP HA H 1 4.463 0.020 B 2330 ASP HBx H 1 2.646 0.020 B 2330 ASP HBy H 1 2.802 0.020 B 2330 ASP C C 13 178.829 0.300 B 2330 ASP CA C 13 56.212 0.300 B 2330 ASP CB C 13 40.518 0.300 B 2330 ASP N N 15 117.908 0.300 B 2331 CYS H H 1 7.761 0.020 B 2331 CYS HA H 1 4.370 0.020 B 2331 CYS HBy H 1 2.897 0.020 B 2331 CYS HBx H 1 2.551 0.020 B 2331 CYS C C 13 174.619 0.300 B 2331 CYS CA C 13 60.666 0.300 B 2331 CYS CB C 13 27.380 0.300 B 2331 CYS N N 15 116.086 0.300 B 2332 ILE H H 1 7.187 0.020 B 2332 ILE HA H 1 4.277 0.020 B 2332 ILE HB H 1 1.892 0.020 B 2332 ILE HD1% H 1 0.738 0.020 B 2332 ILE HG1x H 1 1.038 0.020 B 2332 ILE HG1y H 1 1.038 0.020 B 2332 ILE HG2% H 1 0.617 0.020 B 2332 ILE CA C 13 60.666 0.300 B 2332 ILE CB C 13 37.712 0.300 B 2332 ILE CD1 C 13 12.794 0.300 B 2332 ILE CG1 C 13 25.728 0.300 B 2332 ILE CG2 C 13 17.223 0.300 B 2332 ILE N N 15 115.904 0.300 B 2333 LYS H H 1 7.322 0.020 B 2333 LYS HA H 1 4.072 0.020 B 2333 LYS HBx H 1 1.763 0.020 B 2333 LYS HDx H 1 1.657 0.020 B 2333 LYS HGx H 1 1.412 0.020 B 2333 LYS HZ1 H 1 2.975 0.020 B 2333 LYS HZ2 H 1 2.975 0.020 B 2333 LYS HZ3 H 1 2.975 0.020 B 2333 LYS CA C 13 57.972 0.300 B 2333 LYS CB C 13 33.321 0.300 B 2333 LYS CD C 13 29.141 0.300 B 2333 LYS CE C 13 42.106 0.300 B 2333 LYS CG C 13 24.487 0.300 B 2333 LYS N N 15 128.361 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 547 THR HG2% A 548 THR H 1.0 . 5.50 2 2 A 548 THR H A 547 THR HB 1.0 . 5.50 3 3 A 532 THR H A 536 GLU HBx 1.0 . 5.50 4 3 A 532 THR H A 536 GLU HBy 1.0 . 5.50 5 4 A 532 THR H A 531 TYR HD% 1.0 . 5.50 6 5 A 532 THR H A 531 TYR H 1.0 . 5.50 7 6 A 532 THR H A 531 TYR HBx 1.0 . 5.50 8 7 A 532 THR H A 531 TYR HBy 1.0 . 5.50 9 8 A 551 ASP H A 550 GLU HBx 1.0 . 5.50 10 8 A 550 GLU HBy A 551 ASP H 1.0 . 5.50 11 9 B 2333 LYS H B 2332 ILE HG1x 1.0 . 5.50 12 9 B 2332 ILE HG1y B 2333 LYS H 1.0 . 5.50 13 10 A 549 PHE H A 550 GLU HBx 1.0 . 5.50 14 10 A 550 GLU HBy A 549 PHE H 1.0 . 5.50 15 11 A 549 PHE H A 548 THR HB 1.0 . 5.50 16 12 A 516 SER H A 515 VAL HGx% 1.0 . 5.50 17 12 A 515 VAL HGy% A 516 SER H 1.0 . 5.50 18 13 A 516 SER H A 515 VAL HB 1.0 . 5.50 19 14 A 540 VAL H A 539 PHE HBx 1.0 . 5.50 20 14 A 539 PHE HBy A 540 VAL H 1.0 . 5.50 21 15 A 540 VAL H A 539 PHE HD% 1.0 . 5.50 22 16 A 546 ARG HBx A 547 THR H 1.0 . 5.50 23 17 A 547 THR H A 546 ARG HBy 1.0 . 5.50 24 18 A 511 GLU H A 512 PHE H 1.0 . 5.50 25 19 B 2327 SER H B 2326 PRO HDx 1.0 . 5.50 26 19 B 2326 PRO HDy B 2327 SER H 1.0 . 5.50 27 20 A 541 ASP HA A 543 ASN H 1.0 . 5.50 28 21 A 543 ASN H A 544 THR HG2% 1.0 . 5.50 29 22 B 2324 GLN H B 2324 GLN HGx 1.0 . 5.50 30 22 B 2324 GLN H B 2324 GLN HGy 1.0 . 5.50 31 23 A 508 GLY H A 509 SER HBx 1.0 . 5.50 32 23 A 508 GLY H A 509 SER HBy 1.0 . 5.50 33 24 A 547 THR H A 546 ARG H 1.0 . 5.50 34 25 A 546 ARG H A 544 THR HA 1.0 . 5.50 35 26 A 546 ARG H A 544 THR HB 1.0 . 5.50 36 27 A 546 ARG H A 541 ASP H 1.0 . 5.50 37 28 A 546 ARG H A 544 THR H 1.0 . 5.50 38 29 A 543 ASN H A 542 HIS H 1.0 . 5.50 39 30 B 2328 TYR HBy B 2329 GLU H 1.0 . 5.50 40 31 B 2329 GLU H B 2328 TYR HDy 1.0 . 5.50 41 32 B 2329 GLU H B 2328 TYR HBx 1.0 . 5.50 42 33 A 521 GLY H A 522 PRO HDx 1.0 . 5.50 43 33 A 521 GLY H A 522 PRO HDy 1.0 . 5.50 44 34 A 541 ASP H A 547 THR HA 1.0 . 5.50 45 35 A 541 ASP H A 540 VAL HGy% 1.0 . 5.50 46 36 A 541 ASP H A 540 VAL HGx% 1.0 . 5.50 47 37 A 547 THR HG2% A 541 ASP H 1.0 . 5.50 48 38 A 518 ILE H A 517 LEU HBx 1.0 . 5.50 49 38 A 517 LEU HBy A 518 ILE H 1.0 . 5.50 50 39 A 518 ILE H A 519 ASN H 1.0 . 5.50 51 40 A 551 ASP H A 550 GLU H 1.0 . 5.50 52 41 A 549 PHE H A 550 GLU H 1.0 . 5.50 53 42 A 550 GLU H A 548 THR HA 1.0 . 5.50 54 43 A 550 GLU H A 549 PHE HBy 1.0 . 5.50 55 44 A 550 GLU H A 548 THR HG2% 1.0 . 5.50 56 45 A 550 GLU H A 549 PHE HBx 1.0 . 5.50 57 46 A 519 ASN H A 518 ILE HD1% 1.0 . 5.50 58 47 A 519 ASN H A 518 ILE HB 1.0 . 5.50 59 48 A 543 ASN H A 545 ARG H 1.0 . 5.50 60 49 A 544 THR HG2% A 545 ARG H 1.0 . 5.50 61 50 A 545 ARG H A 542 HIS HA 1.0 . 5.50 62 51 A 534 ALA H A 535 GLY H 1.0 . 5.50 63 52 A 535 GLY H A 534 ALA HB% 1.0 . 5.50 64 53 A 535 GLY H A 536 GLU HBx 1.0 . 5.50 65 53 A 536 GLU HBy A 535 GLY H 1.0 . 5.50 66 54 A 535 GLY H A 536 GLU H 1.0 . 5.50 67 55 A 517 LEU H A 516 SER HBx 1.0 . 5.50 68 55 A 516 SER HBy A 517 LEU H 1.0 . 5.50 69 56 A 518 ILE H A 517 LEU H 1.0 . 5.50 70 57 A 517 LEU H A 516 SER HG 1.0 . 5.50 71 58 A 531 TYR H A 537 ARG HDx 1.0 . 5.50 72 58 A 531 TYR H A 537 ARG HDy 1.0 . 5.50 73 59 A 531 TYR H A 530 ARG HGy 1.0 . 5.50 74 59 A 531 TYR H A 530 ARG HGx 1.0 . 5.50 75 60 A 531 TYR HA A 538 PHE H 1.0 . 5.50 76 61 A 538 PHE H A 529 ILE HG2% 1.0 . 5.50 77 62 A 538 PHE H A 530 ARG HGy 1.0 . 5.50 78 62 A 530 ARG HGx A 538 PHE H 1.0 . 5.50 79 63 A 538 PHE H A 530 ARG H 1.0 . 5.50 80 64 A 548 THR HA A 539 PHE H 1.0 . 5.50 81 65 A 539 PHE H A 538 PHE HBx 1.0 . 5.50 82 66 A 548 THR HG2% A 539 PHE H 1.0 . 5.50 83 67 A 539 PHE H A 538 PHE HBy 1.0 . 5.50 84 68 A 516 SER HG A 515 VAL H 1.0 . 5.50 85 69 A 518 ILE HB A 515 VAL H 1.0 . 5.50 86 70 A 528 GLU HBy A 529 ILE H 1.0 . 5.50 87 71 A 529 ILE H A 528 GLU HBx 1.0 . 5.50 88 72 A 529 ILE H A 530 ARG HGy 1.0 . 5.50 89 72 A 530 ARG HGx A 529 ILE H 1.0 . 5.50 90 73 A 527 TRP HE1 A 529 ILE HG1x 1.0 . 5.50 91 73 A 527 TRP HE1 A 529 ILE HG1y 1.0 . 5.50 92 74 B 2330 ASP H B 2329 GLU HBx 1.0 . 5.50 93 74 B 2329 GLU HBy B 2330 ASP H 1.0 . 5.50 94 75 A 544 THR H A 543 ASN HBx 1.0 . 5.50 95 76 A 544 THR H A 543 ASN HBy 1.0 . 5.50 96 77 A 543 ASN H A 544 THR H 1.0 . 5.50 97 78 A 544 THR H A 545 ARG H 1.0 . 5.50 98 79 A 544 THR H A 542 HIS HA 1.0 . 5.50 99 80 A 532 THR H A 536 GLU H 1.0 . 5.50 100 81 A 534 ALA HB% A 536 GLU H 1.0 . 5.50 101 82 A 528 GLU H A 540 VAL HB 1.0 . 5.50 102 83 A 528 GLU H A 527 TRP HBx 1.0 . 5.50 103 84 A 528 GLU H A 527 TRP HH2 1.0 . 5.50 104 85 A 528 GLU H A 527 TRP HBy 1.0 . 5.50 105 86 A 528 GLU H A 527 TRP H 1.0 . 5.50 106 87 A 527 TRP H A 526 GLY H 1.0 . 5.50 107 88 B 2327 SER HBx B 2328 TYR H 1.0 . 5.50 108 89 A 530 ARG H A 529 ILE HB 1.0 . 5.50 109 90 A 529 ILE HG2% A 530 ARG H 1.0 . 5.50 110 91 A 530 ARG H A 529 ILE HD1% 1.0 . 5.50 111 92 A 531 TYR HE% A 537 ARG H 1.0 . 5.50 112 93 A 537 ARG H A 536 GLU HBx 1.0 . 5.50 113 93 A 536 GLU HBy A 537 ARG H 1.0 . 5.50 114 94 A 531 TYR HD% A 537 ARG H 1.0 . 5.50 115 95 A 536 GLU H A 537 ARG H 1.0 . 5.50 116 96 A 519 ASN HBy A 520 GLU H 1.0 . 5.50 117 97 A 520 GLU H A 519 ASN HBx 1.0 . 5.50 118 98 A 512 PHE H A 511 GLU HGy 1.0 . 5.34 119 98 A 512 PHE H A 511 GLU HGx 1.0 . 5.34 120 99 A 515 VAL H A 518 ILE HG1x 1.0 . 5.34 121 99 A 515 VAL H A 518 ILE HG1y 1.0 . 5.34 122 100 A 518 ILE HD1% A 519 ASN HD2y 1.0 . 5.34 123 100 A 518 ILE HD1% A 519 ASN HD2x 1.0 . 5.34 124 101 A 527 TRP HE1 A 525 PRO HBy 1.0 . 5.34 125 101 A 527 TRP HE1 A 525 PRO HBx 1.0 . 5.34 126 102 A 527 TRP HD1 A 543 ASN HD2y 1.0 . 5.34 127 102 A 527 TRP HD1 A 543 ASN HD2x 1.0 . 5.34 128 103 A 527 TRP HE1 A 541 ASP HBy 1.0 . 5.34 129 103 A 527 TRP HE1 A 541 ASP HBx 1.0 . 5.34 130 104 A 527 TRP HE1 A 543 ASN HD2y 1.0 . 5.34 131 104 A 527 TRP HE1 A 543 ASN HD2x 1.0 . 5.34 132 105 A 528 GLU H A 540 VAL HGx% 1.0 . 5.44 133 105 A 528 GLU H A 540 VAL HGy% 1.0 . 5.44 134 106 A 534 ALA H A 535 GLY HAx 1.0 . 5.34 135 106 A 534 ALA H A 535 GLY HAy 1.0 . 5.34 136 107 A 546 ARG H A 541 ASP HBy 1.0 . 5.34 137 107 A 546 ARG H A 541 ASP HBx 1.0 . 5.34 138 108 A 532 THR HA B 2324 GLN HE2x 1.0 . 4.00 139 109 B 2328 TYR HBy A 540 VAL HA 1.0 . 4.00 140 110 B 2328 TYR HBx A 545 ARG HGy 1.0 . 4.00 141 111 A 545 ARG HA B 2330 ASP HBx 1.0 . 4.00 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 528 GLU H A 540 VAL O 1.0 . 2.0 2 2 A 540 VAL O A 528 GLU N 1.0 . 3.0 3 3 A 540 VAL H A 528 GLU O 1.0 . 2.0 4 4 A 528 GLU O A 540 VAL N 1.0 . 3.0 5 5 A 530 ARG H A 538 PHE O 1.0 . 2.0 6 6 A 538 PHE O A 530 ARG N 1.0 . 3.0 7 7 A 538 PHE H A 530 ARG O 1.0 . 2.0 8 8 A 530 ARG O A 538 PHE N 1.0 . 3.0 9 9 A 539 PHE H A 548 THR O 1.0 . 2.0 10 10 A 548 THR O A 539 PHE N 1.0 . 3.0 11 11 A 548 THR H A 539 PHE O 1.0 . 2.0 12 12 A 539 PHE O A 548 THR N 1.0 . 3.0 13 13 A 541 ASP H A 546 ARG O 1.0 . 2.0 14 14 A 546 ARG O A 541 ASP N 1.0 . 3.0 15 15 A 546 ARG H A 541 ASP O 1.0 . 2.0 16 16 A 541 ASP O A 546 ARG N 1.0 . 3.0 17 17 B 2328 TYR O B 2332 ILE H 1.0 . 2.0 18 18 B 2328 TYR O B 2332 ILE N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type lower-bound-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 528 GLU H A 540 VAL O 1.0 1.8 . 2 2 A 540 VAL O A 528 GLU N 1.0 2.7 . 3 3 A 540 VAL H A 528 GLU O 1.0 1.8 . 4 4 A 528 GLU O A 540 VAL N 1.0 2.7 . 5 5 A 530 ARG H A 538 PHE O 1.0 1.8 . 6 6 A 538 PHE O A 530 ARG N 1.0 2.7 . 7 7 A 538 PHE H A 530 ARG O 1.0 1.8 . 8 8 A 530 ARG O A 538 PHE N 1.0 2.7 . 9 9 A 539 PHE H A 548 THR O 1.0 1.8 . 10 10 A 548 THR O A 539 PHE N 1.0 2.7 . 11 11 A 548 THR H A 539 PHE O 1.0 1.8 . 12 12 A 539 PHE O A 548 THR N 1.0 2.7 . 13 13 A 541 ASP H A 546 ARG O 1.0 1.8 . 14 14 A 546 ARG O A 541 ASP N 1.0 2.7 . 15 15 A 546 ARG H A 541 ASP O 1.0 1.8 . 16 16 A 541 ASP O A 546 ARG N 1.0 2.7 . 17 17 B 2328 TYR O B 2332 ILE H 1.0 1.8 . 18 18 B 2328 TYR O B 2332 ILE N 1.0 2.7 . stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 508 GLY C A 509 SER N A 509 SER CA A 509 SER C 1.0 -154.8 -54.7 PHI 2 2 A 509 SER N A 509 SER CA A 509 SER C A 510 PRO N 1.0 104.7 179.6 PSI 3 3 A 522 PRO C A 523 LEU N A 523 LEU CA A 523 LEU C 1.0 -105.6 -49.9 PHI 4 4 A 523 LEU N A 523 LEU CA A 523 LEU C A 524 PRO N 1.0 108.4 168.6 PSI 5 5 A 526 GLY C A 527 TRP N A 527 TRP CA A 527 TRP C 1.0 -144.8 -78.8 PHI 6 6 A 527 TRP N A 527 TRP CA A 527 TRP C A 528 GLU N 1.0 117.1 164.3 PSI 7 7 A 527 TRP C A 528 GLU N A 528 GLU CA A 528 GLU C 1.0 -170.2 -115.1 PHI 8 8 A 528 GLU N A 528 GLU CA A 528 GLU C A 529 ILE N 1.0 136.4 167.9 PSI 9 9 A 528 GLU C A 529 ILE N A 529 ILE CA A 529 ILE C 1.0 -126.4 -58.6 PHI 10 10 A 529 ILE N A 529 ILE CA A 529 ILE C A 530 ARG N 1.0 117.0 147.0 PSI 11 11 A 529 ILE C A 530 ARG N A 530 ARG CA A 530 ARG C 1.0 -168.3 -91.1 PHI 12 12 A 530 ARG N A 530 ARG CA A 530 ARG C A 531 TYR N 1.0 134.9 183.4 PSI 13 13 A 530 ARG C A 531 TYR N A 531 TYR CA A 531 TYR C 1.0 -149.8 -102.1 PHI 14 14 A 531 TYR N A 531 TYR CA A 531 TYR C A 532 THR N 1.0 116.8 162.8 PSI 15 15 A 531 TYR C A 532 THR N A 532 THR CA A 532 THR C 1.0 -115.1 -65.5 PHI 16 16 A 532 THR N A 532 THR CA A 532 THR C A 533 ALA N 1.0 141.1 195.1 PSI 17 17 A 532 THR C A 533 ALA N A 533 ALA CA A 533 ALA C 1.0 -73.5 -51.6 PHI 18 18 A 533 ALA N A 533 ALA CA A 533 ALA C A 534 ALA N 1.0 -33.9 -5.4 PSI 19 19 A 536 GLU C A 537 ARG N A 537 ARG CA A 537 ARG C 1.0 -109.4 -55.6 PHI 20 20 A 537 ARG N A 537 ARG CA A 537 ARG C A 538 PHE N 1.0 86.6 162.6 PSI 21 21 A 537 ARG C A 538 PHE N A 538 PHE CA A 538 PHE C 1.0 -169.7 -88.4 PHI 22 22 A 538 PHE N A 538 PHE CA A 538 PHE C A 539 PHE N 1.0 137.3 196.1 PSI 23 23 A 538 PHE C A 539 PHE N A 539 PHE CA A 539 PHE C 1.0 -175.0 -77.2 PHI 24 24 A 539 PHE N A 539 PHE CA A 539 PHE C A 540 VAL N 1.0 121.7 170.4 PSI 25 25 A 539 PHE C A 540 VAL N A 540 VAL CA A 540 VAL C 1.0 -165.5 -69.1 PHI 26 26 A 540 VAL N A 540 VAL CA A 540 VAL C A 541 ASP N 1.0 101.1 162.6 PSI 27 27 A 540 VAL C A 541 ASP N A 541 ASP CA A 541 ASP C 1.0 -126.0 -52.4 PHI 28 28 A 541 ASP N A 541 ASP CA A 541 ASP C A 542 HIS N 1.0 54.2 193.9 PSI 29 29 A 541 ASP C A 542 HIS N A 542 HIS CA A 542 HIS C 1.0 -71.7 -51.7 PHI 30 30 A 542 HIS N A 542 HIS CA A 542 HIS C A 543 ASN N 1.0 -54.1 -2.8 PSI 31 31 A 542 HIS C A 543 ASN N A 543 ASN CA A 543 ASN C 1.0 -96.9 -46.4 PHI 32 32 A 543 ASN N A 543 ASN CA A 543 ASN C A 544 THR N 1.0 -50.5 -9.8 PSI 33 33 A 543 ASN C A 544 THR N A 544 THR CA A 544 THR C 1.0 -142.0 -57.8 PHI 34 34 A 544 THR N A 544 THR CA A 544 THR C A 545 ARG N 1.0 -38.5 25.9 PSI 35 35 A 545 ARG C A 546 ARG N A 546 ARG CA A 546 ARG C 1.0 -177.9 -97.2 PHI 36 36 A 546 ARG N A 546 ARG CA A 546 ARG C A 547 THR N 1.0 141.8 170.7 PSI 37 37 A 546 ARG C A 547 THR N A 547 THR CA A 547 THR C 1.0 -158.7 -81.9 PHI 38 38 A 547 THR N A 547 THR CA A 547 THR C A 548 THR N 1.0 115.1 176.1 PSI 39 39 A 547 THR C A 548 THR N A 548 THR CA A 548 THR C 1.0 -187.0 -59.5 PHI 40 40 A 548 THR N A 548 THR CA A 548 THR C A 549 PHE N 1.0 101.1 192.1 PSI 41 41 A 550 GLU C A 551 ASP N A 551 ASP CA A 551 ASP C 1.0 -119.8 -47.9 PHI 42 42 A 551 ASP N A 551 ASP CA A 551 ASP C A 552 PRO N 1.0 65.2 183.9 PSI 43 43 B 2316 GLY C B 2317 SER N B 2317 SER CA B 2317 SER C 1.0 -173.8 -61.1 PHI 44 44 B 2317 SER N B 2317 SER CA B 2317 SER C B 2318 PRO N 1.0 65.0 210.6 PSI 45 45 B 2326 PRO C B 2327 SER N B 2327 SER CA B 2327 SER C 1.0 -132.0 -67.5 PHI 46 46 B 2327 SER N B 2327 SER CA B 2327 SER C B 2328 TYR N 1.0 66.1 200.5 PSI 47 47 B 2327 SER C B 2328 TYR N B 2328 TYR CA B 2328 TYR C 1.0 -67.5 -43.8 PHI 48 48 B 2328 TYR N B 2328 TYR CA B 2328 TYR C B 2329 GLU N 1.0 -70.1 -26.2 PSI 49 49 B 2328 TYR C B 2329 GLU N B 2329 GLU CA B 2329 GLU C 1.0 -70.8 -48.6 PHI 50 50 B 2329 GLU N B 2329 GLU CA B 2329 GLU C B 2330 ASP N 1.0 -54.0 -26.6 PSI 51 51 B 2329 GLU C B 2330 ASP N B 2330 ASP CA B 2330 ASP C 1.0 -76.2 -49.8 PHI 52 52 B 2330 ASP N B 2330 ASP CA B 2330 ASP C B 2331 CYS N 1.0 -49.2 -27.2 PSI 53 53 B 2330 ASP C B 2331 CYS N B 2331 CYS CA B 2331 CYS C 1.0 -84.2 -48.1 PHI 54 54 B 2331 CYS N B 2331 CYS CA B 2331 CYS C B 2332 ILE N 1.0 -51.2 -13.6 PSI stop_ save_