data_nef_c18091_2llw 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 18090 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 519 GLN start . . 2 A 520 PRO middle . false 3 A 521 GLY middle . false 4 A 522 THR middle . . 5 A 523 SER middle . . 6 A 524 ASN middle . . 7 A 525 GLU middle . . 8 A 526 THR middle . . 9 A 527 PRO middle . false 10 A 528 GLU middle . . 11 A 529 GLU middle . . 12 A 530 THR middle . . 13 A 531 TYR middle . . 14 A 532 GLN middle . . 15 A 533 ARG middle . . 16 A 534 ALA middle . . 17 A 535 MET middle . . 18 A 536 LYS middle . . 19 A 537 ASP middle . . 20 A 538 PRO middle . false 21 A 539 GLU middle . . 22 A 540 VAL middle . . 23 A 541 ALA middle . . 24 A 542 ALA middle . . 25 A 543 ILE middle . . 26 A 544 MET middle . . 27 A 545 GLN middle . . 28 A 546 ASP middle . . 29 A 547 PRO middle . false 30 A 548 VAL middle . . 31 A 549 MET middle . . 32 A 550 GLN middle . . 33 A 551 SER middle . . 34 A 552 ILE middle . . 35 A 553 LEU middle . . 36 A 554 GLN middle . . 37 A 555 GLN middle . . 38 A 556 ALA middle . . 39 A 557 GLN middle . . 40 A 558 GLN middle . . 41 A 559 ASN middle . . 42 A 560 PRO middle . false 43 A 561 ALA middle . . 44 A 562 ALA middle . . 45 A 563 LEU middle . . 46 A 564 GLN middle . . 47 A 565 GLU middle . . 48 A 566 HIS middle . . 49 A 567 MET middle . . 50 A 568 LYS middle . . 51 A 569 ASN middle . . 52 A 570 PRO middle . false 53 A 571 GLU middle . . 54 A 572 VAL middle . . 55 A 573 PHE middle . . 56 A 574 LYS middle . . 57 A 575 LYS middle . . 58 A 576 ILE middle . . 59 A 577 GLN middle . . 60 A 578 THR middle . . 61 A 579 LEU middle . . 62 A 580 ILE middle . . 63 A 581 ALA middle . . 64 A 582 ALA middle . . 65 A 583 GLY middle . false 66 A 584 ILE middle . . 67 A 585 ILE middle . . 68 A 586 ARG middle . . 69 A 587 THR middle . . 70 A 588 GLY middle . false 71 A 589 ARG 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 519 GLN H1 H 1 8.13 0.02 A 519 GLN HA H 1 4.45 0.02 A 519 GLN HB2 H 1 1.88 0.02 A 519 GLN HB3 H 1 1.88 0.02 A 519 GLN HE21 H 1 6.75 0.02 A 519 GLN HE22 H 1 7.40 0.02 A 519 GLN HGx H 1 2.20 0.02 A 519 GLN HGy H 1 2.63 0.02 A 519 GLN C C 13 173.26 0.05 A 519 GLN CA C 13 53.02 0.05 A 519 GLN CB C 13 29.17 0.05 A 519 GLN CG C 13 33.38 0.05 A 519 GLN N N 15 123.53 0.05 A 519 GLN NE2 N 15 112.34 0.05 A 520 PRO HA H 1 4.23 0.02 A 520 PRO HB2 H 1 2.18 0.02 A 520 PRO HB3 H 1 1.82 0.02 A 520 PRO HD2 H 1 3.51 0.02 A 520 PRO HD3 H 1 3.51 0.02 A 520 PRO HG2 H 1 1.87 0.02 A 520 PRO HG3 H 1 1.87 0.02 A 520 PRO CA C 13 63.25 0.05 A 520 PRO CB C 13 31.96 0.05 A 520 PRO CD C 13 50.56 0.05 A 520 PRO CG C 13 27.09 0.05 A 521 GLY H H 1 8.49 0.02 A 521 GLY HA2 H 1 3.87 0.02 A 521 GLY HA3 H 1 3.87 0.02 A 521 GLY C C 13 174.30 0.05 A 521 GLY CA C 13 45.18 0.05 A 521 GLY N N 15 109.40 0.05 A 522 THR H H 1 7.86 0.02 A 522 THR HA H 1 4.30 0.02 A 522 THR HB H 1 4.16 0.02 A 522 THR HG2% H 1 1.05 0.02 A 522 THR C C 13 174.69 0.05 A 522 THR CA C 13 61.24 0.05 A 522 THR CB C 13 69.96 0.05 A 522 THR CG2 C 13 21.31 0.05 A 522 THR N N 15 112.48 0.05 A 523 SER H H 1 8.30 0.02 A 523 SER HA H 1 3.89 0.02 A 523 SER HB2 H 1 3.72 0.02 A 523 SER HB3 H 1 3.72 0.02 A 523 SER C C 13 173.32 0.05 A 523 SER CA C 13 58.46 0.05 A 523 SER CB C 13 63.69 0.05 A 523 SER N N 15 117.45 0.05 A 524 ASN HA H 1 4.35 0.02 A 524 ASN HD21 H 1 6.78 0.02 A 524 ASN HD22 H 1 7.48 0.02 A 524 ASN C C 13 174.67 0.05 A 524 ASN CA C 13 53.06 0.05 A 524 ASN CB C 13 38.71 0.05 A 524 ASN ND2 N 15 112.92 0.05 A 525 GLU H H 1 7.97 0.02 A 525 GLU HA H 1 4.34 0.02 A 525 GLU HB2 H 1 1.95 0.02 A 525 GLU HB3 H 1 1.95 0.02 A 525 GLU HG2 H 1 2.14 0.02 A 525 GLU HG3 H 1 2.14 0.02 A 525 GLU C C 13 176.90 0.05 A 525 GLU CA C 13 56.04 0.05 A 525 GLU CB C 13 31.07 0.05 A 525 GLU CG C 13 36.43 0.05 A 525 GLU N N 15 120.97 0.05 A 526 THR H H 1 8.63 0.02 A 526 THR HA H 1 4.54 0.02 A 526 THR HB H 1 4.51 0.02 A 526 THR HG2% H 1 1.21 0.02 A 526 THR C C 13 173.41 0.05 A 526 THR CA C 13 60.08 0.05 A 526 THR CB C 13 68.50 0.05 A 526 THR CG2 C 13 21.76 0.05 A 526 THR N N 15 116.96 0.05 A 527 PRO HA H 1 4.19 0.02 A 527 PRO HB2 H 1 1.79 0.02 A 527 PRO HB3 H 1 2.23 0.02 A 527 PRO HDy H 1 3.78 0.02 A 527 PRO HDx H 1 3.74 0.02 A 527 PRO HG2 H 1 2.05 0.02 A 527 PRO HG3 H 1 2.05 0.02 A 527 PRO CA C 13 65.11 0.05 A 527 PRO CB C 13 31.58 0.05 A 527 PRO CD C 13 50.26 0.05 A 527 PRO CG C 13 27.97 0.05 A 528 GLU H H 1 8.55 0.02 A 528 GLU HA H 1 3.98 0.02 A 528 GLU HB2 H 1 1.85 0.02 A 528 GLU HB3 H 1 1.85 0.02 A 528 GLU HG2 H 1 2.12 0.02 A 528 GLU HG3 H 1 2.12 0.02 A 528 GLU C C 13 178.55 0.05 A 528 GLU CA C 13 59.58 0.05 A 528 GLU CB C 13 28.99 0.05 A 528 GLU CG C 13 36.49 0.05 A 528 GLU N N 15 118.61 0.05 A 529 GLU H H 1 7.87 0.02 A 529 GLU HA H 1 3.93 0.02 A 529 GLU HB2 H 1 2.20 0.02 A 529 GLU HB3 H 1 1.87 0.02 A 529 GLU HGx H 1 2.15 0.02 A 529 GLU HGy H 1 2.22 0.02 A 529 GLU C C 13 179.47 0.05 A 529 GLU CA C 13 58.95 0.05 A 529 GLU CB C 13 29.48 0.05 A 529 GLU CG C 13 37.03 0.05 A 529 GLU N N 15 121.09 0.05 A 530 THR H H 1 8.39 0.02 A 530 THR HA H 1 3.75 0.02 A 530 THR HB H 1 3.98 0.02 A 530 THR HG2% H 1 1.07 0.02 A 530 THR C C 13 175.77 0.05 A 530 THR CA C 13 66.32 0.05 A 530 THR CB C 13 68.43 0.05 A 530 THR CG2 C 13 22.34 0.05 A 530 THR N N 15 118.05 0.05 A 531 TYR H H 1 8.05 0.02 A 531 TYR HA H 1 3.82 0.02 A 531 TYR HB2 H 1 2.97 0.02 A 531 TYR HB3 H 1 2.97 0.02 A 531 TYR HD1 H 1 6.89 0.02 A 531 TYR HD2 H 1 6.89 0.02 A 531 TYR HE1 H 1 6.64 0.02 A 531 TYR HE2 H 1 6.64 0.02 A 531 TYR C C 13 176.42 0.05 A 531 TYR CA C 13 61.44 0.05 A 531 TYR CB C 13 38.11 0.05 A 531 TYR CD1 C 13 132.70 0.05 A 531 TYR CD2 C 13 132.70 0.05 A 531 TYR CE1 C 13 118.01 0.05 A 531 TYR CE2 C 13 118.01 0.05 A 531 TYR N N 15 122.28 0.05 A 532 GLN H H 1 8.01 0.02 A 532 GLN HA H 1 3.69 0.02 A 532 GLN HB2 H 1 1.98 0.02 A 532 GLN HB3 H 1 1.98 0.02 A 532 GLN HE21 H 1 6.79 0.02 A 532 GLN HE22 H 1 7.52 0.02 A 532 GLN HGx H 1 2.24 0.02 A 532 GLN HGy H 1 2.38 0.02 A 532 GLN C C 13 178.80 0.05 A 532 GLN CA C 13 58.62 0.05 A 532 GLN CB C 13 28.06 0.05 A 532 GLN CG C 13 33.69 0.05 A 532 GLN N N 15 116.25 0.05 A 532 GLN NE2 N 15 111.92 0.05 A 533 ARG H H 1 7.80 0.02 A 533 ARG HA H 1 3.92 0.02 A 533 ARG HB2 H 1 1.85 0.02 A 533 ARG HB3 H 1 1.85 0.02 A 533 ARG HD2 H 1 3.15 0.02 A 533 ARG HD3 H 1 3.15 0.02 A 533 ARG HG2 H 1 1.58 0.02 A 533 ARG HG3 H 1 1.58 0.02 A 533 ARG C C 13 179.03 0.05 A 533 ARG CA C 13 59.14 0.05 A 533 ARG CB C 13 29.80 0.05 A 533 ARG CD C 13 42.97 0.05 A 533 ARG CG C 13 27.06 0.05 A 533 ARG N N 15 118.73 0.05 A 534 ALA H H 1 8.21 0.02 A 534 ALA HA H 1 3.96 0.02 A 534 ALA HB% H 1 1.28 0.02 A 534 ALA C C 13 178.86 0.05 A 534 ALA CA C 13 54.67 0.05 A 534 ALA CB C 13 18.73 0.05 A 534 ALA N N 15 123.50 0.05 A 535 MET H H 1 7.48 0.02 A 535 MET HA H 1 4.02 0.02 A 535 MET HB2 H 1 1.77 0.02 A 535 MET HB3 H 1 1.77 0.02 A 535 MET HE% H 1 1.75 0.02 A 535 MET HG2 H 1 2.06 0.02 A 535 MET HG3 H 1 2.06 0.02 A 535 MET C C 13 176.89 0.05 A 535 MET CA C 13 55.20 0.05 A 535 MET CB C 13 31.11 0.05 A 535 MET CE C 13 16.61 0.05 A 535 MET CG C 13 32.56 0.05 A 535 MET N N 15 111.91 0.05 A 536 LYS H H 1 7.18 0.02 A 536 LYS HA H 1 3.99 0.02 A 536 LYS HB2 H 1 1.81 0.02 A 536 LYS HB3 H 1 1.70 0.02 A 536 LYS HD2 H 1 1.55 0.02 A 536 LYS HD3 H 1 1.55 0.02 A 536 LYS HE2 H 1 2.85 0.02 A 536 LYS HE3 H 1 2.85 0.02 A 536 LYS HG2 H 1 1.53 0.02 A 536 LYS HG3 H 1 1.53 0.02 A 536 LYS C C 13 176.69 0.05 A 536 LYS CA C 13 56.59 0.05 A 536 LYS CB C 13 32.34 0.05 A 536 LYS CD C 13 28.92 0.05 A 536 LYS CE C 13 42.00 0.05 A 536 LYS CG C 13 25.06 0.05 A 536 LYS N N 15 116.84 0.05 A 537 ASP H H 1 7.53 0.02 A 537 ASP HA H 1 4.80 0.02 A 537 ASP HB2 H 1 3.00 0.02 A 537 ASP HB3 H 1 2.54 0.02 A 537 ASP C C 13 174.72 0.05 A 537 ASP CA C 13 51.09 0.05 A 537 ASP CB C 13 41.97 0.05 A 537 ASP N N 15 122.68 0.05 A 538 PRO HA H 1 4.14 0.02 A 538 PRO HB2 H 1 1.88 0.02 A 538 PRO HB3 H 1 2.23 0.02 A 538 PRO HDy H 1 3.98 0.02 A 538 PRO HDx H 1 3.77 0.02 A 538 PRO HG2 H 1 1.94 0.02 A 538 PRO HG3 H 1 1.94 0.02 A 538 PRO CA C 13 64.75 0.05 A 538 PRO CB C 13 32.12 0.05 A 538 PRO CD C 13 50.95 0.05 A 538 PRO CG C 13 27.38 0.05 A 539 GLU H H 1 8.20 0.02 A 539 GLU HA H 1 4.01 0.02 A 539 GLU HB2 H 1 1.91 0.02 A 539 GLU HB3 H 1 1.94 0.02 A 539 GLU HGx H 1 2.05 0.02 A 539 GLU HGy H 1 2.23 0.02 A 539 GLU C C 13 179.01 0.05 A 539 GLU CA C 13 58.85 0.05 A 539 GLU CB C 13 29.34 0.05 A 539 GLU CG C 13 36.46 0.05 A 539 GLU N N 15 118.59 0.05 A 540 VAL H H 1 7.35 0.02 A 540 VAL HA H 1 3.23 0.02 A 540 VAL HB H 1 2.28 0.02 A 540 VAL HG1% H 1 0.52 0.02 A 540 VAL HG2% H 1 0.72 0.02 A 540 VAL C C 13 177.74 0.05 A 540 VAL CA C 13 66.09 0.05 A 540 VAL CB C 13 31.35 0.05 A 540 VAL CG1 C 13 22.05 0.05 A 540 VAL CG2 C 13 23.00 0.05 A 540 VAL N N 15 120.69 0.05 A 541 ALA H H 1 8.43 0.02 A 541 ALA HA H 1 3.77 0.02 A 541 ALA HB% H 1 1.28 0.02 A 541 ALA C C 13 179.66 0.05 A 541 ALA CA C 13 55.39 0.05 A 541 ALA CB C 13 17.71 0.05 A 541 ALA N N 15 121.46 0.05 A 542 ALA H H 1 7.38 0.02 A 542 ALA HA H 1 3.94 0.02 A 542 ALA HB% H 1 1.36 0.02 A 542 ALA C C 13 180.88 0.05 A 542 ALA CA C 13 54.70 0.05 A 542 ALA CB C 13 17.95 0.05 A 542 ALA N N 15 117.00 0.05 A 543 ILE H H 1 7.38 0.02 A 543 ILE HA H 1 3.69 0.02 A 543 ILE HB H 1 1.86 0.02 A 543 ILE HD1% H 1 0.86 0.02 A 543 ILE HG12 H 1 0.76 0.02 A 543 ILE HG13 H 1 1.93 0.02 A 543 ILE HG2% H 1 0.78 0.02 A 543 ILE C C 13 177.45 0.05 A 543 ILE CA C 13 64.96 0.05 A 543 ILE CB C 13 38.28 0.05 A 543 ILE CD1 C 13 14.03 0.05 A 543 ILE CG1 C 13 29.64 0.05 A 543 ILE CG2 C 13 19.43 0.05 A 543 ILE N N 15 119.75 0.05 A 544 MET H H 1 7.87 0.02 A 544 MET HA H 1 4.14 0.02 A 544 MET HB2 H 1 1.95 0.02 A 544 MET HB3 H 1 1.87 0.02 A 544 MET HE% H 1 1.83 0.02 A 544 MET HGx H 1 2.31 0.02 A 544 MET HGy H 1 2.46 0.02 A 544 MET C C 13 177.68 0.05 A 544 MET CA C 13 55.66 0.05 A 544 MET CB C 13 30.69 0.05 A 544 MET CE C 13 16.10 0.05 A 544 MET CG C 13 32.07 0.05 A 544 MET N N 15 113.83 0.05 A 545 GLN H H 1 7.34 0.02 A 545 GLN HA H 1 4.08 0.02 A 545 GLN HB2 H 1 1.95 0.02 A 545 GLN HB3 H 1 2.09 0.02 A 545 GLN HE21 H 1 6.72 0.02 A 545 GLN HE22 H 1 7.20 0.02 A 545 GLN HG2 H 1 2.33 0.02 A 545 GLN HG3 H 1 2.33 0.02 A 545 GLN C C 13 175.17 0.05 A 545 GLN CA C 13 55.44 0.05 A 545 GLN CB C 13 28.99 0.05 A 545 GLN CG C 13 33.79 0.05 A 545 GLN N N 15 115.21 0.05 A 545 GLN NE2 N 15 111.41 0.05 A 546 ASP H H 1 7.32 0.02 A 546 ASP HA H 1 4.72 0.02 A 546 ASP HB2 H 1 3.06 0.02 A 546 ASP HB3 H 1 2.66 0.02 A 546 ASP C C 13 175.22 0.05 A 546 ASP CA C 13 51.34 0.05 A 546 ASP CB C 13 42.38 0.05 A 546 ASP N N 15 123.27 0.05 A 547 PRO HA H 1 4.12 0.02 A 547 PRO HBy H 1 2.27 0.02 A 547 PRO HBx H 1 1.87 0.02 A 547 PRO HD2 H 1 3.88 0.02 A 547 PRO HD3 H 1 3.88 0.02 A 547 PRO HG2 H 1 2.04 0.02 A 547 PRO HG3 H 1 2.04 0.02 A 547 PRO CA C 13 64.92 0.05 A 547 PRO CB C 13 32.26 0.05 A 547 PRO CD C 13 51.12 0.05 A 547 PRO CG C 13 27.48 0.05 A 548 VAL H H 1 8.00 0.02 A 548 VAL HA H 1 3.58 0.02 A 548 VAL HB H 1 2.07 0.02 A 548 VAL HG1% H 1 0.73 0.02 A 548 VAL HG2% H 1 0.89 0.02 A 548 VAL C C 13 179.01 0.05 A 548 VAL CA C 13 66.00 0.05 A 548 VAL CB C 13 31.11 0.05 A 548 VAL CG1 C 13 20.23 0.05 A 548 VAL CG2 C 13 22.40 0.05 A 548 VAL N N 15 119.87 0.05 A 549 MET H H 1 7.25 0.02 A 549 MET HA H 1 4.34 0.02 A 549 MET HB2 H 1 1.72 0.02 A 549 MET HB3 H 1 2.38 0.02 A 549 MET HE% H 1 1.58 0.02 A 549 MET HGx H 1 2.40 0.02 A 549 MET HGy H 1 2.65 0.02 A 549 MET C C 13 178.83 0.05 A 549 MET CA C 13 55.14 0.05 A 549 MET CB C 13 28.84 0.05 A 549 MET CE C 13 14.21 0.05 A 549 MET CG C 13 31.39 0.05 A 549 MET N N 15 118.27 0.05 A 550 GLN H H 1 8.31 0.02 A 550 GLN HA H 1 3.74 0.02 A 550 GLN HB2 H 1 1.95 0.02 A 550 GLN HB3 H 1 1.95 0.02 A 550 GLN HE21 H 1 6.59 0.02 A 550 GLN HE22 H 1 7.46 0.02 A 550 GLN HG2 H 1 2.39 0.02 A 550 GLN HG3 H 1 2.39 0.02 A 550 GLN C C 13 178.84 0.05 A 550 GLN CA C 13 59.42 0.05 A 550 GLN CB C 13 27.66 0.05 A 550 GLN CG C 13 33.61 0.05 A 550 GLN N N 15 118.19 0.05 A 550 GLN NE2 N 15 110.56 0.05 A 551 SER H H 1 7.57 0.02 A 551 SER HA H 1 4.14 0.02 A 551 SER HB2 H 1 3.88 0.02 A 551 SER HB3 H 1 3.88 0.02 A 551 SER C C 13 176.84 0.05 A 551 SER CA C 13 61.33 0.05 A 551 SER CB C 13 62.45 0.05 A 551 SER N N 15 114.01 0.05 A 552 ILE H H 1 7.60 0.02 A 552 ILE HA H 1 3.28 0.02 A 552 ILE HB H 1 1.68 0.02 A 552 ILE HD1% H 1 0.42 0.02 A 552 ILE HG12 H 1 1.45 0.02 A 552 ILE HG13 H 1 -0.13 0.02 A 552 ILE HG2% H 1 0.37 0.02 A 552 ILE C C 13 177.63 0.05 A 552 ILE CA C 13 65.68 0.05 A 552 ILE CB C 13 37.72 0.05 A 552 ILE CD1 C 13 13.94 0.05 A 552 ILE CG1 C 13 28.67 0.05 A 552 ILE CG2 C 13 15.42 0.05 A 552 ILE N N 15 123.49 0.05 A 553 LEU H H 1 8.33 0.02 A 553 LEU HA H 1 3.75 0.02 A 553 LEU HB2 H 1 1.36 0.02 A 553 LEU HB3 H 1 1.59 0.02 A 553 LEU HD1% H 1 0.62 0.02 A 553 LEU HD2% H 1 0.57 0.02 A 553 LEU HG H 1 1.57 0.02 A 553 LEU C C 13 179.44 0.05 A 553 LEU CA C 13 57.95 0.05 A 553 LEU CB C 13 40.70 0.05 A 553 LEU CD1 C 13 24.92 0.05 A 553 LEU CD2 C 13 22.84 0.05 A 553 LEU CG C 13 27.10 0.05 A 553 LEU N N 15 119.52 0.05 A 554 GLN H H 1 7.80 0.02 A 554 GLN HA H 1 3.92 0.02 A 554 GLN HB2 H 1 1.82 0.02 A 554 GLN HB3 H 1 1.82 0.02 A 554 GLN HE21 H 1 6.76 0.02 A 554 GLN HE22 H 1 7.33 0.02 A 554 GLN HG2 H 1 2.28 0.02 A 554 GLN HG3 H 1 2.28 0.02 A 554 GLN C C 13 178.56 0.05 A 554 GLN CA C 13 58.66 0.05 A 554 GLN CB C 13 28.06 0.05 A 554 GLN CG C 13 33.72 0.05 A 554 GLN N N 15 118.59 0.05 A 554 GLN NE2 N 15 111.54 0.05 A 555 GLN H H 1 7.99 0.02 A 555 GLN HA H 1 3.93 0.02 A 555 GLN HB2 H 1 2.06 0.02 A 555 GLN HB3 H 1 2.06 0.02 A 555 GLN HE21 H 1 6.95 0.02 A 555 GLN HE22 H 1 7.29 0.02 A 555 GLN HG2 H 1 2.50 0.02 A 555 GLN HG3 H 1 2.50 0.02 A 555 GLN C C 13 178.40 0.05 A 555 GLN CA C 13 58.53 0.05 A 555 GLN CB C 13 28.79 0.05 A 555 GLN CG C 13 34.11 0.05 A 555 GLN N N 15 119.52 0.05 A 555 GLN NE2 N 15 112.34 0.05 A 556 ALA H H 1 8.31 0.02 A 556 ALA HA H 1 4.11 0.02 A 556 ALA HB% H 1 1.34 0.02 A 556 ALA C C 13 178.31 0.05 A 556 ALA CA C 13 53.50 0.05 A 556 ALA CB C 13 18.37 0.05 A 556 ALA N N 15 120.73 0.05 A 557 GLN H H 1 7.53 0.02 A 557 GLN HA H 1 3.96 0.02 A 557 GLN HB2 H 1 2.04 0.02 A 557 GLN HB3 H 1 2.04 0.02 A 557 GLN HG2 H 1 2.35 0.02 A 557 GLN HG3 H 1 2.35 0.02 A 557 GLN C C 13 177.26 0.05 A 557 GLN CA C 13 57.92 0.05 A 557 GLN CB C 13 28.48 0.05 A 557 GLN CG C 13 33.76 0.05 A 557 GLN N N 15 115.60 0.05 A 558 GLN H H 1 7.35 0.02 A 558 GLN HA H 1 4.18 0.02 A 558 GLN HB2 H 1 1.94 0.02 A 558 GLN HB3 H 1 2.09 0.02 A 558 GLN HE21 H 1 6.77 0.02 A 558 GLN HE22 H 1 7.44 0.02 A 558 GLN HG2 H 1 2.34 0.02 A 558 GLN HG3 H 1 2.34 0.02 A 558 GLN C C 13 176.03 0.05 A 558 GLN CA C 13 56.55 0.05 A 558 GLN CB C 13 29.32 0.05 A 558 GLN CG C 13 33.69 0.05 A 558 GLN N N 15 115.31 0.05 A 558 GLN NE2 N 15 111.99 0.05 A 559 ASN H H 1 7.90 0.02 A 559 ASN HA H 1 4.95 0.02 A 559 ASN HB2 H 1 2.88 0.02 A 559 ASN HB3 H 1 2.68 0.02 A 559 ASN HD21 H 1 6.93 0.02 A 559 ASN HD22 H 1 7.62 0.02 A 559 ASN C C 13 172.42 0.05 A 559 ASN CA C 13 50.43 0.05 A 559 ASN CB C 13 38.88 0.05 A 559 ASN N N 15 114.85 0.05 A 559 ASN ND2 N 15 111.59 0.05 A 560 PRO HA H 1 4.33 0.02 A 560 PRO HB2 H 1 1.89 0.02 A 560 PRO HB3 H 1 2.31 0.02 A 560 PRO HDy H 1 3.78 0.02 A 560 PRO HDx H 1 3.48 0.02 A 560 PRO HG2 H 1 1.99 0.02 A 560 PRO HG3 H 1 1.99 0.02 A 560 PRO CA C 13 65.00 0.05 A 560 PRO CB C 13 31.68 0.05 A 560 PRO CD C 13 50.25 0.05 A 560 PRO CG C 13 27.05 0.05 A 561 ALA H H 1 7.85 0.02 A 561 ALA HA H 1 4.13 0.02 A 561 ALA HB% H 1 1.33 0.02 A 561 ALA C C 13 179.51 0.05 A 561 ALA CA C 13 54.05 0.05 A 561 ALA CB C 13 18.05 0.05 A 561 ALA N N 15 119.92 0.05 A 562 ALA H H 1 7.98 0.02 A 562 ALA HA H 1 4.02 0.02 A 562 ALA HB% H 1 1.37 0.02 A 562 ALA C C 13 179.57 0.05 A 562 ALA CA C 13 54.12 0.05 A 562 ALA CB C 13 18.20 0.05 A 562 ALA N N 15 120.79 0.05 A 563 LEU H H 1 7.51 0.02 A 563 LEU HA H 1 3.98 0.02 A 563 LEU HB2 H 1 1.60 0.02 A 563 LEU HB3 H 1 1.67 0.02 A 563 LEU HDx% H 1 0.69 0.02 A 563 LEU HDy% H 1 0.73 0.02 A 563 LEU HG H 1 1.44 0.02 A 563 LEU C C 13 178.22 0.05 A 563 LEU CA C 13 57.64 0.05 A 563 LEU CB C 13 41.69 0.05 A 563 LEU CDy C 13 24.39 0.05 A 563 LEU CDx C 13 23.97 0.05 A 563 LEU CG C 13 26.93 0.05 A 563 LEU N N 15 116.42 0.05 A 564 GLN H H 1 7.51 0.02 A 564 GLN HA H 1 3.86 0.02 A 564 GLN HB2 H 1 2.04 0.02 A 564 GLN HB3 H 1 2.04 0.02 A 564 GLN HE21 H 1 6.73 0.02 A 564 GLN HE22 H 1 7.32 0.02 A 564 GLN HG2 H 1 2.31 0.02 A 564 GLN HG3 H 1 2.31 0.02 A 564 GLN C C 13 178.30 0.05 A 564 GLN CA C 13 58.72 0.05 A 564 GLN CB C 13 28.02 0.05 A 564 GLN CG C 13 33.67 0.05 A 564 GLN N N 15 115.51 0.05 A 564 GLN NE2 N 15 111.56 0.05 A 565 GLU H H 1 7.44 0.02 A 565 GLU HA H 1 3.90 0.02 A 565 GLU HB2 H 1 1.75 0.02 A 565 GLU HB3 H 1 1.66 0.02 A 565 GLU HG2 H 1 1.96 0.02 A 565 GLU HG3 H 1 1.96 0.02 A 565 GLU C C 13 179.07 0.05 A 565 GLU CA C 13 58.38 0.05 A 565 GLU CB C 13 28.99 0.05 A 565 GLU CG C 13 35.19 0.05 A 565 GLU N N 15 117.68 0.05 A 566 HIS H H 1 7.42 0.02 A 566 HIS HA H 1 4.38 0.02 A 566 HIS HB2 H 1 3.01 0.02 A 566 HIS HB3 H 1 2.81 0.02 A 566 HIS HD1 H 1 6.85 0.02 A 566 HIS HD2 H 1 6.83 0.02 A 566 HIS HE1 H 1 7.60 0.02 A 566 HIS C C 13 177.28 0.05 A 566 HIS CA C 13 58.86 0.05 A 566 HIS CB C 13 31.44 0.05 A 566 HIS CD2 C 13 118.37 0.05 A 566 HIS CE1 C 13 139.13 0.05 A 566 HIS N N 15 118.22 0.05 A 567 MET H H 1 7.71 0.02 A 567 MET HA H 1 3.84 0.02 A 567 MET HB2 H 1 1.98 0.02 A 567 MET HB3 H 1 2.14 0.02 A 567 MET HE% H 1 1.84 0.02 A 567 MET HG2 H 1 2.63 0.02 A 567 MET HG3 H 1 2.16 0.02 A 567 MET C C 13 175.26 0.05 A 567 MET CA C 13 57.84 0.05 A 567 MET CB C 13 33.08 0.05 A 567 MET CE C 13 17.00 0.05 A 567 MET CG C 13 33.27 0.05 A 567 MET N N 15 115.20 0.05 A 568 LYS H H 1 7.14 0.02 A 568 LYS HA H 1 3.96 0.02 A 568 LYS HB2 H 1 1.83 0.02 A 568 LYS HB3 H 1 1.68 0.02 A 568 LYS HD2 H 1 1.53 0.02 A 568 LYS HD3 H 1 1.53 0.02 A 568 LYS HE2 H 1 2.83 0.02 A 568 LYS HE3 H 1 2.83 0.02 A 568 LYS HGx H 1 1.27 0.02 A 568 LYS HGy H 1 1.48 0.02 A 568 LYS C C 13 176.22 0.05 A 568 LYS CA C 13 57.39 0.05 A 568 LYS CB C 13 32.22 0.05 A 568 LYS CD C 13 29.19 0.05 A 568 LYS CE C 13 42.01 0.05 A 568 LYS CG C 13 25.19 0.05 A 568 LYS N N 15 116.04 0.05 A 569 ASN H H 1 7.48 0.02 A 569 ASN HA H 1 5.02 0.02 A 569 ASN HB2 H 1 3.24 0.02 A 569 ASN HB3 H 1 2.81 0.02 A 569 ASN HD21 H 1 7.25 0.02 A 569 ASN HD22 H 1 7.96 0.02 A 569 ASN C C 13 173.92 0.05 A 569 ASN CA C 13 49.95 0.05 A 569 ASN CB C 13 39.00 0.05 A 569 ASN N N 15 119.60 0.05 A 569 ASN ND2 N 15 113.80 0.05 A 570 PRO HA H 1 4.26 0.02 A 570 PRO HB2 H 1 1.94 0.02 A 570 PRO HB3 H 1 2.30 0.02 A 570 PRO HD2 H 1 4.07 0.02 A 570 PRO HD3 H 1 3.85 0.02 A 570 PRO HG2 H 1 1.94 0.02 A 570 PRO HG3 H 1 1.94 0.02 A 570 PRO CA C 13 65.11 0.05 A 570 PRO CB C 13 32.27 0.05 A 570 PRO CD C 13 51.11 0.05 A 570 PRO CG C 13 27.34 0.05 A 571 GLU H H 1 7.96 0.02 A 571 GLU HA H 1 4.07 0.02 A 571 GLU HB2 H 1 2.00 0.02 A 571 GLU HB3 H 1 1.96 0.02 A 571 GLU HGx H 1 2.17 0.02 A 571 GLU HGy H 1 2.26 0.02 A 571 GLU C C 13 178.83 0.05 A 571 GLU CA C 13 58.88 0.05 A 571 GLU CB C 13 29.43 0.05 A 571 GLU CG C 13 36.47 0.05 A 571 GLU N N 15 116.87 0.05 A 572 VAL H H 1 7.33 0.02 A 572 VAL HA H 1 3.66 0.02 A 572 VAL HB H 1 2.20 0.02 A 572 VAL HG1% H 1 0.72 0.02 A 572 VAL HG2% H 1 0.88 0.02 A 572 VAL C C 13 177.62 0.05 A 572 VAL CA C 13 65.10 0.05 A 572 VAL CB C 13 32.21 0.05 A 572 VAL CG1 C 13 21.93 0.05 A 572 VAL CG2 C 13 21.93 0.05 A 572 VAL N N 15 118.29 0.05 A 573 PHE H H 1 8.70 0.02 A 573 PHE HA H 1 3.89 0.02 A 573 PHE HB2 H 1 2.98 0.02 A 573 PHE HB3 H 1 3.47 0.02 A 573 PHE HD1 H 1 7.15 0.02 A 573 PHE HD2 H 1 7.15 0.02 A 573 PHE HE1 H 1 7.21 0.02 A 573 PHE HE2 H 1 7.21 0.02 A 573 PHE HZ H 1 7.16 0.02 A 573 PHE C C 13 176.76 0.05 A 573 PHE CA C 13 62.23 0.05 A 573 PHE CB C 13 38.62 0.05 A 573 PHE CD1 C 13 131.55 0.05 A 573 PHE CD2 C 13 131.55 0.05 A 573 PHE CE1 C 13 131.52 0.05 A 573 PHE CE2 C 13 131.52 0.05 A 573 PHE CZ C 13 130.03 0.05 A 573 PHE N N 15 121.09 0.05 A 574 LYS H H 1 7.80 0.02 A 574 LYS HA H 1 3.79 0.02 A 574 LYS HB2 H 1 1.80 0.02 A 574 LYS HB3 H 1 1.80 0.02 A 574 LYS HD2 H 1 1.60 0.02 A 574 LYS HD3 H 1 1.60 0.02 A 574 LYS HE2 H 1 2.89 0.02 A 574 LYS HE3 H 1 2.89 0.02 A 574 LYS HGx H 1 1.35 0.02 A 574 LYS HGy H 1 1.51 0.02 A 574 LYS C C 13 178.98 0.05 A 574 LYS CA C 13 59.48 0.05 A 574 LYS CB C 13 32.20 0.05 A 574 LYS CD C 13 29.16 0.05 A 574 LYS CE C 13 41.89 0.05 A 574 LYS CG C 13 25.16 0.05 A 574 LYS N N 15 116.91 0.05 A 575 LYS H H 1 7.17 0.02 A 575 LYS HA H 1 3.91 0.02 A 575 LYS HB2 H 1 1.61 0.02 A 575 LYS HB3 H 1 1.98 0.02 A 575 LYS HD2 H 1 1.80 0.02 A 575 LYS HD3 H 1 1.80 0.02 A 575 LYS HE2 H 1 2.87 0.02 A 575 LYS HE3 H 1 2.87 0.02 A 575 LYS HG2 H 1 1.29 0.02 A 575 LYS HG3 H 1 1.68 0.02 A 575 LYS C C 13 178.52 0.05 A 575 LYS CA C 13 59.95 0.05 A 575 LYS CB C 13 33.06 0.05 A 575 LYS CD C 13 30.17 0.05 A 575 LYS CE C 13 42.12 0.05 A 575 LYS CG C 13 26.51 0.05 A 575 LYS N N 15 119.12 0.05 A 576 ILE H H 1 8.30 0.02 A 576 ILE HA H 1 3.32 0.02 A 576 ILE HB H 1 1.85 0.02 A 576 ILE HD1% H 1 0.57 0.02 A 576 ILE HG12 H 1 0.91 0.02 A 576 ILE HG13 H 1 1.49 0.02 A 576 ILE HG2% H 1 0.67 0.02 A 576 ILE C C 13 177.82 0.05 A 576 ILE CA C 13 64.53 0.05 A 576 ILE CB C 13 36.25 0.05 A 576 ILE CD1 C 13 12.78 0.05 A 576 ILE CG1 C 13 29.07 0.05 A 576 ILE CG2 C 13 16.92 0.05 A 576 ILE N N 15 119.18 0.05 A 577 GLN H H 1 8.18 0.02 A 577 GLN HA H 1 3.67 0.02 A 577 GLN HB2 H 1 1.80 0.02 A 577 GLN HB3 H 1 1.87 0.02 A 577 GLN HE21 H 1 6.22 0.02 A 577 GLN HE22 H 1 6.66 0.02 A 577 GLN HGx H 1 1.73 0.02 A 577 GLN HGy H 1 1.85 0.02 A 577 GLN C C 13 179.25 0.05 A 577 GLN CA C 13 59.12 0.05 A 577 GLN CB C 13 27.84 0.05 A 577 GLN CG C 13 33.69 0.05 A 577 GLN N N 15 118.00 0.05 A 577 GLN NE2 N 15 112.17 0.05 A 578 THR H H 1 7.78 0.02 A 578 THR HA H 1 3.76 0.02 A 578 THR HB H 1 4.18 0.02 A 578 THR HG2% H 1 0.94 0.02 A 578 THR C C 13 176.06 0.05 A 578 THR CA C 13 66.89 0.05 A 578 THR CB C 13 68.03 0.05 A 578 THR CG2 C 13 21.86 0.05 A 578 THR N N 15 118.67 0.05 A 579 LEU H H 1 7.62 0.02 A 579 LEU HA H 1 3.85 0.02 A 579 LEU HB2 H 1 1.06 0.02 A 579 LEU HB3 H 1 2.04 0.02 A 579 LEU HD1% H 1 0.62 0.02 A 579 LEU HD2% H 1 0.62 0.02 A 579 LEU HG H 1 0.68 0.02 A 579 LEU C C 13 179.59 0.05 A 579 LEU CA C 13 57.65 0.05 A 579 LEU CB C 13 40.98 0.05 A 579 LEU CD1 C 13 22.20 0.05 A 579 LEU CD2 C 13 22.20 0.05 A 579 LEU CG C 13 26.30 0.05 A 579 LEU N N 15 120.68 0.05 A 580 ILE H H 1 8.54 0.02 A 580 ILE HA H 1 4.03 0.02 A 580 ILE HB H 1 1.67 0.02 A 580 ILE HD1% H 1 0.55 0.02 A 580 ILE HG12 H 1 0.59 0.02 A 580 ILE HG13 H 1 1.56 0.02 A 580 ILE HG2% H 1 0.75 0.02 A 580 ILE C C 13 180.26 0.05 A 580 ILE CA C 13 64.73 0.05 A 580 ILE CB C 13 38.31 0.05 A 580 ILE CD1 C 13 14.03 0.05 A 580 ILE CG1 C 13 29.22 0.05 A 580 ILE CG2 C 13 16.71 0.05 A 580 ILE N N 15 122.88 0.05 A 581 ALA H H 1 8.12 0.02 A 581 ALA HA H 1 3.97 0.02 A 581 ALA HB% H 1 1.38 0.02 A 581 ALA C C 13 179.00 0.05 A 581 ALA CA C 13 54.84 0.05 A 581 ALA CB C 13 17.50 0.05 A 581 ALA N N 15 124.51 0.05 A 582 ALA H H 1 7.47 0.02 A 582 ALA HA H 1 4.14 0.02 A 582 ALA HB% H 1 1.29 0.02 A 582 ALA C C 13 177.04 0.05 A 582 ALA CA C 13 52.18 0.05 A 582 ALA CB C 13 19.86 0.05 A 582 ALA N N 15 116.25 0.05 A 583 GLY H H 1 7.60 0.02 A 583 GLY HA2 H 1 3.64 0.02 A 583 GLY HA3 H 1 3.97 0.02 A 583 GLY C C 13 174.18 0.05 A 583 GLY CA C 13 44.79 0.05 A 583 GLY N N 15 104.54 0.05 A 584 ILE H H 1 7.59 0.02 A 584 ILE HA H 1 3.76 0.02 A 584 ILE HB H 1 1.72 0.02 A 584 ILE HD1% H 1 0.49 0.02 A 584 ILE HG12 H 1 1.03 0.02 A 584 ILE HG13 H 1 1.20 0.02 A 584 ILE HG2% H 1 0.82 0.02 A 584 ILE C C 13 175.66 0.05 A 584 ILE CA C 13 61.55 0.05 A 584 ILE CB C 13 37.61 0.05 A 584 ILE CD1 C 13 11.47 0.05 A 584 ILE CG1 C 13 27.77 0.05 A 584 ILE CG2 C 13 16.95 0.05 A 584 ILE N N 15 118.63 0.05 A 585 ILE H H 1 6.49 0.02 A 585 ILE HA H 1 4.17 0.02 A 585 ILE HB H 1 1.26 0.02 A 585 ILE HD1% H 1 0.64 0.02 A 585 ILE HG12 H 1 0.80 0.02 A 585 ILE HG13 H 1 1.12 0.02 A 585 ILE HG2% H 1 0.59 0.02 A 585 ILE C C 13 174.37 0.05 A 585 ILE CA C 13 59.48 0.05 A 585 ILE CB C 13 39.63 0.05 A 585 ILE CD1 C 13 13.86 0.05 A 585 ILE CG1 C 13 27.46 0.05 A 585 ILE CG2 C 13 17.19 0.05 A 585 ILE N N 15 116.36 0.05 A 586 ARG H H 1 8.50 0.02 A 586 ARG HA H 1 4.38 0.02 A 586 ARG HB2 H 1 1.74 0.02 A 586 ARG HB3 H 1 1.56 0.02 A 586 ARG HD2 H 1 3.06 0.02 A 586 ARG HD3 H 1 3.06 0.02 A 586 ARG HG2 H 1 1.42 0.02 A 586 ARG HG3 H 1 1.42 0.02 A 586 ARG C C 13 175.72 0.05 A 586 ARG CA C 13 54.92 0.05 A 586 ARG CB C 13 31.32 0.05 A 586 ARG CD C 13 43.19 0.05 A 586 ARG CG C 13 26.85 0.05 A 586 ARG N N 15 125.45 0.05 A 587 THR H H 1 8.25 0.02 A 587 THR HA H 1 4.30 0.02 A 587 THR HB H 1 4.08 0.02 A 587 THR HG2% H 1 0.99 0.02 A 587 THR C C 13 174.76 0.05 A 587 THR CA C 13 61.30 0.05 A 587 THR CB C 13 69.72 0.05 A 587 THR CG2 C 13 21.27 0.05 A 587 THR N N 15 113.71 0.05 A 588 GLY H H 1 8.23 0.02 A 588 GLY HA2 H 1 3.85 0.02 A 588 GLY HA3 H 1 3.85 0.02 A 588 GLY C C 13 172.82 0.05 A 588 GLY CA C 13 45.16 0.05 A 588 GLY N N 15 110.72 0.05 A 589 ARG H H 1 7.80 0.02 A 589 ARG HA H 1 4.04 0.02 A 589 ARG HB2 H 1 1.63 0.02 A 589 ARG HB3 H 1 1.69 0.02 A 589 ARG HD2 H 1 3.05 0.02 A 589 ARG HD3 H 1 3.05 0.02 A 589 ARG HG2 H 1 1.44 0.02 A 589 ARG HG3 H 1 1.44 0.02 A 589 ARG C C 13 180.91 0.05 A 589 ARG CA C 13 57.21 0.05 A 589 ARG CB C 13 31.23 0.05 A 589 ARG CD C 13 43.28 0.05 A 589 ARG CG C 13 26.96 0.05 A 589 ARG N N 15 125.39 0.05 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 525 GLU H A 525 GLU HA 1.0 0.0 4.0 2 2 A 526 THR H A 526 THR HA 1.0 0.0 3.2 3 3 A 526 THR H A 526 THR HG2% 1.0 0.0 3.5 4 4 A 528 GLU H A 528 GLU HA 1.0 0.0 3.2 5 5 A 528 GLU H A 528 GLU HB2 1.0 0.0 3.4 6 5 A 528 GLU H A 528 GLU HB3 1.0 0.0 3.4 7 6 A 529 GLU H A 529 GLU HA 1.0 0.0 3.2 8 7 A 529 GLU H A 529 GLU HB3 1.0 0.0 2.7 9 8 A 529 GLU H A 529 GLU HB2 1.0 0.0 3.2 10 9 A 530 THR H A 530 THR HA 1.0 0.0 3.2 11 10 A 530 THR H A 530 THR HB 1.0 0.0 2.7 12 11 A 530 THR H A 530 THR HG2% 1.0 0.0 4.8 13 12 A 531 TYR H A 531 TYR HA 1.0 0.0 2.7 14 13 A 531 TYR H A 531 TYR HB2 1.0 0.0 3.4 15 13 A 531 TYR H A 531 TYR HB3 1.0 0.0 3.4 16 14 A 532 GLN H A 532 GLN HA 1.0 0.0 3.2 17 15 A 532 GLN H A 532 GLN HB2 1.0 0.0 3.4 18 15 A 532 GLN H A 532 GLN HB3 1.0 0.0 3.4 19 16 A 532 GLN H A 532 GLN HGx 1.0 0.0 3.4 20 16 A 532 GLN H A 532 GLN HGy 1.0 0.0 3.4 21 17 A 533 ARG H A 533 ARG HA 1.0 0.0 3.2 22 18 A 534 ALA H A 534 ALA HA 1.0 0.0 3.2 23 19 A 534 ALA H A 534 ALA HB% 1.0 0.0 3.5 24 20 A 535 MET H A 535 MET HB2 1.0 0.0 3.4 25 20 A 535 MET H A 535 MET HB3 1.0 0.0 3.4 26 21 A 536 LYS H A 536 LYS HA 1.0 0.0 3.2 27 22 A 536 LYS H A 536 LYS HB3 1.0 0.0 4.0 28 23 A 536 LYS H A 536 LYS HB2 1.0 0.0 3.2 29 24 A 536 LYS H A 536 LYS HG2 1.0 0.0 3.4 30 24 A 536 LYS H A 536 LYS HG3 1.0 0.0 3.4 31 25 A 537 ASP H A 537 ASP HA 1.0 0.0 3.2 32 26 A 537 ASP H A 537 ASP HB3 1.0 0.0 2.7 33 27 A 537 ASP H A 537 ASP HB2 1.0 0.0 3.2 34 28 A 539 GLU H A 539 GLU HA 1.0 0.0 3.2 35 29 A 539 GLU H A 539 GLU HB2 1.0 0.0 2.7 36 30 A 540 VAL H A 540 VAL HA 1.0 0.0 3.2 37 31 A 540 VAL H A 540 VAL HB 1.0 0.0 2.7 38 32 A 540 VAL H A 540 VAL HG1% 1.0 0.0 4.8 39 33 A 540 VAL H A 540 VAL HG2% 1.0 0.0 3.4 40 34 A 541 ALA H A 541 ALA HA 1.0 0.0 3.2 41 35 A 541 ALA H A 541 ALA HB% 1.0 0.0 3.5 42 36 A 542 ALA H A 542 ALA HA 1.0 0.0 3.2 43 37 A 542 ALA H A 542 ALA HB% 1.0 0.0 3.5 44 38 A 543 ILE H A 543 ILE HA 1.0 0.0 3.2 45 39 A 543 ILE H A 543 ILE HB 1.0 0.0 2.7 46 40 A 543 ILE H A 543 ILE HD1% 1.0 0.0 4.8 47 41 A 543 ILE H A 543 ILE HG2% 1.0 0.0 4.8 48 42 A 544 MET H A 544 MET HA 1.0 0.0 3.2 49 43 A 544 MET H A 544 MET HB3 1.0 0.0 4.0 50 44 A 544 MET H A 544 MET HB2 1.0 0.0 3.2 51 45 A 544 MET H A 544 MET HGx 1.0 0.0 3.4 52 45 A 544 MET H A 544 MET HGy 1.0 0.0 3.4 53 46 A 545 GLN H A 545 GLN HA 1.0 0.0 3.2 54 47 A 545 GLN H A 545 GLN HE22 1.0 4.0 6.0 55 48 A 545 GLN H A 545 GLN HG2 1.0 0.0 3.9 56 48 A 545 GLN H A 545 GLN HG3 1.0 0.0 3.9 57 49 A 546 ASP H A 546 ASP HA 1.0 0.0 3.2 58 50 A 546 ASP H A 546 ASP HB3 1.0 0.0 4.0 59 51 A 546 ASP H A 546 ASP HB2 1.0 0.0 3.5 60 52 A 548 VAL H A 548 VAL HA 1.0 0.0 3.2 61 53 A 548 VAL H A 548 VAL HB 1.0 0.0 2.7 62 54 A 548 VAL H A 548 VAL HG1% 1.0 0.0 4.8 63 55 A 548 VAL H A 548 VAL HG2% 1.0 0.0 3.5 64 56 A 549 MET H A 549 MET HA 1.0 0.0 4.0 65 57 A 549 MET H A 549 MET HB3 1.0 0.0 4.0 66 58 A 549 MET H A 549 MET HB2 1.0 0.0 2.7 67 59 A 549 MET H A 549 MET HGx 1.0 0.0 4.7 68 59 A 549 MET H A 549 MET HGy 1.0 0.0 4.7 69 60 A 550 GLN H A 550 GLN HA 1.0 0.0 3.2 70 61 A 550 GLN H A 550 GLN HB2 1.0 0.0 3.4 71 61 A 550 GLN H A 550 GLN HB3 1.0 0.0 3.4 72 62 A 550 GLN H A 550 GLN HG2 1.0 0.0 4.7 73 62 A 550 GLN H A 550 GLN HG3 1.0 0.0 4.7 74 63 A 551 SER H A 551 SER HA 1.0 0.0 4.0 75 64 A 551 SER H A 551 SER HB2 1.0 0.0 3.2 76 64 A 551 SER H A 551 SER HB3 1.0 0.0 3.2 77 65 A 552 ILE H A 552 ILE HA 1.0 0.0 3.2 78 66 A 552 ILE H A 552 ILE HB 1.0 0.0 2.7 79 67 A 552 ILE H A 552 ILE HD1% 1.0 0.0 4.8 80 68 A 552 ILE H A 552 ILE HG13 1.0 0.0 2.7 81 69 A 552 ILE H A 552 ILE HG12 1.0 0.0 3.2 82 70 A 552 ILE H A 552 ILE HG2% 1.0 0.0 4.8 83 71 A 553 LEU H A 553 LEU HA 1.0 0.0 3.2 84 72 A 553 LEU H A 553 LEU HB3 1.0 3.2 7.2 85 73 A 553 LEU H A 553 LEU HB2 1.0 0.0 2.7 86 74 A 553 LEU H A 553 LEU HD1% 1.0 0.0 4.8 87 75 A 553 LEU H A 553 LEU HD2% 1.0 0.0 4.8 88 76 A 555 GLN H A 555 GLN HA 1.0 0.0 3.2 89 77 A 555 GLN H A 555 GLN HB2 1.0 0.0 3.4 90 77 A 555 GLN H A 555 GLN HB3 1.0 0.0 3.4 91 78 A 555 GLN H A 555 GLN HG2 1.0 0.0 4.7 92 78 A 555 GLN H A 555 GLN HG3 1.0 0.0 4.7 93 79 A 556 ALA H A 556 ALA HA 1.0 0.0 3.2 94 80 A 556 ALA H A 556 ALA HB% 1.0 0.0 3.5 95 81 A 557 GLN H A 557 GLN HA 1.0 0.0 3.2 96 82 A 557 GLN H A 557 GLN HB2 1.0 0.0 3.4 97 82 A 557 GLN H A 557 GLN HB3 1.0 0.0 3.4 98 83 A 557 GLN H A 557 GLN HG2 1.0 0.0 4.7 99 83 A 557 GLN H A 557 GLN HG3 1.0 0.0 4.7 100 84 A 558 GLN H A 558 GLN HB2 1.0 0.0 2.7 101 85 A 559 ASN H A 559 ASN HA 1.0 0.0 3.2 102 86 A 559 ASN H A 559 ASN HB3 1.0 0.0 3.2 103 87 A 559 ASN H A 559 ASN HB2 1.0 0.0 3.2 104 88 A 561 ALA H A 561 ALA HA 1.0 0.0 3.2 105 89 A 561 ALA H A 561 ALA HB% 1.0 0.0 3.5 106 90 A 562 ALA H A 562 ALA HA 1.0 0.0 3.2 107 91 A 562 ALA H A 562 ALA HB% 1.0 0.0 3.5 108 92 A 563 LEU H A 563 LEU HA 1.0 0.0 3.2 109 93 A 563 LEU H A 563 LEU HB2 1.0 0.0 3.4 110 93 A 563 LEU H A 563 LEU HB3 1.0 0.0 3.4 111 94 A 564 GLN H A 564 GLN HA 1.0 0.0 3.2 112 95 A 564 GLN H A 564 GLN HB2 1.0 0.0 3.4 113 95 A 564 GLN H A 564 GLN HB3 1.0 0.0 3.4 114 96 A 564 GLN H A 564 GLN HG2 1.0 0.0 4.7 115 96 A 564 GLN H A 564 GLN HG3 1.0 0.0 4.7 116 97 A 565 GLU H A 565 GLU HA 1.0 0.0 3.2 117 98 A 565 GLU H A 565 GLU HB3 1.0 0.0 2.7 118 99 A 565 GLU H A 565 GLU HG2 1.0 0.0 3.4 119 99 A 565 GLU H A 565 GLU HG3 1.0 0.0 3.4 120 100 A 566 HIS H A 566 HIS HA 1.0 0.0 3.2 121 101 A 566 HIS H A 566 HIS HB3 1.0 0.0 4.0 122 102 A 566 HIS H A 566 HIS HB2 1.0 0.0 2.7 123 103 A 567 MET H A 567 MET HA 1.0 0.0 3.2 124 104 A 567 MET H A 567 MET HB3 1.0 0.0 2.7 125 105 A 567 MET H A 567 MET HB2 1.0 0.0 2.7 126 106 A 567 MET H A 567 MET HG3 1.0 0.0 4.7 127 106 A 567 MET H A 567 MET HG2 1.0 0.0 4.7 128 107 A 568 LYS H A 568 LYS HA 1.0 0.0 3.2 129 108 A 568 LYS H A 568 LYS HB3 1.0 0.0 4.0 130 109 A 568 LYS H A 568 LYS HB2 1.0 0.0 2.7 131 110 A 568 LYS H A 568 LYS HGx 1.0 0.0 3.9 132 110 A 568 LYS H A 568 LYS HGy 1.0 0.0 3.9 133 111 A 569 ASN H A 569 ASN HA 1.0 0.0 3.2 134 112 A 569 ASN H A 569 ASN HB3 1.0 0.0 3.2 135 113 A 569 ASN H A 569 ASN HB2 1.0 0.0 3.2 136 114 A 571 GLU H A 571 GLU HA 1.0 0.0 3.2 137 115 A 571 GLU H A 571 GLU HB2 1.0 0.0 2.7 138 116 A 571 GLU H A 571 GLU HGx 1.0 0.0 4.7 139 116 A 571 GLU H A 571 GLU HGy 1.0 0.0 4.7 140 117 A 572 VAL H A 572 VAL HA 1.0 0.0 3.2 141 118 A 572 VAL H A 572 VAL HB 1.0 0.0 2.7 142 119 A 572 VAL H A 572 VAL HG1% 1.0 0.0 4.8 143 120 A 572 VAL H A 572 VAL HG2% 1.0 0.0 3.5 144 121 A 573 PHE H A 573 PHE HA 1.0 0.0 3.2 145 122 A 573 PHE H A 573 PHE HB3 1.0 0.0 2.7 146 123 A 573 PHE H A 573 PHE HB2 1.0 0.0 3.2 147 124 A 573 PHE H A 573 PHE HD% 1.0 0.0 5.7 148 125 A 574 LYS H A 574 LYS HA 1.0 0.0 3.2 149 126 A 574 LYS H A 574 LYS HB2 1.0 0.0 3.4 150 126 A 574 LYS H A 574 LYS HB3 1.0 0.0 3.4 151 127 A 575 LYS H A 575 LYS HA 1.0 0.0 3.2 152 128 A 575 LYS H A 575 LYS HB3 1.0 0.0 4.0 153 129 A 575 LYS H A 575 LYS HB2 1.0 0.0 2.7 154 130 A 575 LYS H A 575 LYS HD2 1.0 0.0 4.7 155 130 A 575 LYS H A 575 LYS HD3 1.0 0.0 4.7 156 131 A 575 LYS H A 575 LYS HG3 1.0 0.0 4.0 157 132 A 575 LYS H A 575 LYS HG3 1.0 0.0 5.8 158 133 A 575 LYS H A 575 LYS HG2 1.0 0.0 5.8 159 134 A 576 ILE H A 576 ILE HA 1.0 0.0 4.0 160 135 A 576 ILE H A 576 ILE HB 1.0 0.0 2.7 161 136 A 576 ILE H A 576 ILE HD1% 1.0 0.0 5.0 162 137 A 576 ILE H A 576 ILE HG13 1.0 0.0 4.0 163 138 A 576 ILE H A 576 ILE HG12 1.0 0.0 3.2 164 139 A 576 ILE H A 576 ILE HG2% 1.0 0.0 4.8 165 140 A 577 GLN H A 577 GLN HA 1.0 0.0 3.2 166 141 A 577 GLN H A 577 GLN HB2 1.0 0.0 3.4 167 141 A 577 GLN H A 577 GLN HB3 1.0 0.0 3.4 168 142 A 578 THR H A 578 THR HA 1.0 0.0 2.7 169 143 A 578 THR H A 578 THR HB 1.0 0.0 2.7 170 144 A 578 THR H A 578 THR HG2% 1.0 0.0 4.8 171 145 A 579 LEU H A 579 LEU HA 1.0 0.0 3.0 172 146 A 579 LEU H A 579 LEU HB3 1.0 0.0 4.0 173 147 A 579 LEU H A 579 LEU HB2 1.0 0.0 2.7 174 148 A 579 LEU H A 579 LEU HD1% 1.0 0.0 4.8 175 149 A 579 LEU H A 579 LEU HD2% 1.0 0.0 4.8 176 150 A 580 ILE H A 580 ILE HA 1.0 0.0 3.2 177 151 A 580 ILE H A 580 ILE HB 1.0 0.0 3.2 178 152 A 580 ILE H A 580 ILE HG13 1.0 0.0 2.7 179 153 A 580 ILE H A 580 ILE HG12 1.0 0.0 4.0 180 154 A 580 ILE H A 580 ILE HG2% 1.0 0.0 4.5 181 155 A 581 ALA H A 581 ALA HA 1.0 0.0 2.7 182 156 A 581 ALA H A 581 ALA HB% 1.0 0.0 3.5 183 157 A 582 ALA H A 582 ALA HA 1.0 0.0 3.2 184 158 A 582 ALA H A 582 ALA HB% 1.0 0.0 2.7 185 159 A 583 GLY H A 583 GLY HA3 1.0 0.0 3.2 186 160 A 583 GLY H A 583 GLY HA2 1.0 0.0 2.7 187 161 A 584 ILE H A 584 ILE HA 1.0 0.0 3.2 188 162 A 584 ILE H A 584 ILE HB 1.0 0.0 3.2 189 163 A 584 ILE H A 584 ILE HD1% 1.0 0.0 5.8 190 164 A 584 ILE H A 584 ILE HG13 1.0 0.0 2.7 191 165 A 584 ILE H A 584 ILE HG12 1.0 0.0 5.0 192 166 A 584 ILE H A 584 ILE HG2% 1.0 0.0 4.8 193 167 A 585 ILE H A 585 ILE HA 1.0 0.0 4.0 194 168 A 585 ILE H A 585 ILE HB 1.0 0.0 2.7 195 169 A 585 ILE H A 585 ILE HG13 1.0 0.0 3.2 196 170 A 585 ILE H A 585 ILE HG2% 1.0 0.0 4.8 197 171 A 586 ARG H A 586 ARG HA 1.0 0.0 4.0 198 172 A 586 ARG H A 586 ARG HB2 1.0 0.0 3.2 199 173 A 586 ARG H A 586 ARG HD2 1.0 0.0 5.7 200 173 A 586 ARG H A 586 ARG HD3 1.0 0.0 5.7 201 174 A 586 ARG H A 586 ARG HG2 1.0 0.0 4.7 202 174 A 586 ARG H A 586 ARG HG3 1.0 0.0 4.7 203 175 A 587 THR H A 587 THR HG2% 1.0 0.0 4.8 204 176 A 589 ARG H A 589 ARG HA 1.0 0.0 3.2 205 177 A 526 THR HA A 527 PRO HG2 1.0 0.0 5.7 206 177 A 526 THR HA A 527 PRO HG3 1.0 0.0 5.7 207 178 A 526 THR HA A 527 PRO HDy 1.0 0.0 5.8 208 178 A 526 THR HA A 527 PRO HDx 1.0 0.0 5.8 209 179 A 525 GLU HA A 526 THR H 1.0 0.0 2.7 210 180 A 526 THR H A 525 GLU HB2 1.0 0.0 3.9 211 180 A 526 THR H A 525 GLU HB3 1.0 0.0 3.9 212 181 A 526 THR H A 525 GLU HG2 1.0 0.0 4.7 213 181 A 526 THR H A 525 GLU HG3 1.0 0.0 4.7 214 182 A 528 GLU H A 527 PRO HA 1.0 0.0 4.0 215 183 A 528 GLU H A 527 PRO HB3 1.0 0.0 4.2 216 184 A 528 GLU H A 527 PRO HG2 1.0 0.0 4.7 217 184 A 528 GLU H A 527 PRO HG3 1.0 0.0 4.7 218 185 A 528 GLU H A 529 GLU H 1.0 0.0 3.2 219 186 A 529 GLU HB3 A 530 THR H 1.0 0.0 3.2 220 187 A 529 GLU HB2 A 530 THR H 1.0 0.0 4.0 221 188 A 529 GLU H A 530 THR H 1.0 0.0 4.0 222 189 A 530 THR H A 531 TYR H 1.0 0.0 4.0 223 190 A 530 THR HB A 531 TYR H 1.0 0.0 2.7 224 191 A 530 THR HG2% A 531 TYR H 1.0 0.0 5.8 225 192 A 531 TYR H A 532 GLN HB2 1.0 0.0 5.7 226 192 A 531 TYR H A 532 GLN HB3 1.0 0.0 5.7 227 193 A 531 TYR H A 532 GLN HGx 1.0 5.0 6.5 228 193 A 531 TYR H A 532 GLN HGy 1.0 5.0 6.5 229 194 A 532 GLN H A 531 TYR HB2 1.0 0.0 3.4 230 194 A 531 TYR HB3 A 532 GLN H 1.0 0.0 3.4 231 195 A 533 ARG HA A 534 ALA H 1.0 0.0 4.0 232 196 A 534 ALA H A 533 ARG HB2 1.0 0.0 2.7 233 196 A 534 ALA H A 533 ARG HB3 1.0 0.0 2.7 234 197 A 533 ARG H A 534 ALA H 1.0 0.0 2.7 235 198 A 534 ALA H A 535 MET H 1.0 0.0 2.7 236 199 A 534 ALA HB% A 535 MET H 1.0 0.0 3.5 237 200 A 536 LYS H A 535 MET HA 1.0 0.0 4.0 238 201 A 535 MET H A 536 LYS H 1.0 0.0 2.7 239 202 A 536 LYS HA A 537 ASP H 1.0 0.0 3.4 240 203 A 536 LYS HB2 A 537 ASP H 1.0 0.0 4.0 241 204 A 537 ASP H A 536 LYS HD2 1.0 0.0 6.0 242 204 A 537 ASP H A 536 LYS HD3 1.0 0.0 6.0 243 205 A 536 LYS H A 537 ASP H 1.0 0.0 3.2 244 206 A 537 ASP H A 538 PRO HDy 1.0 0.0 5.8 245 206 A 537 ASP H A 538 PRO HDx 1.0 0.0 5.8 246 207 A 539 GLU H A 538 PRO HA 1.0 0.0 4.0 247 208 A 539 GLU H A 538 PRO HB2 1.0 0.0 3.2 248 209 A 539 GLU H A 538 PRO HDy 1.0 0.0 4.7 249 209 A 539 GLU H A 538 PRO HDx 1.0 0.0 4.7 250 210 A 539 GLU H A 540 VAL H 1.0 0.0 2.7 251 211 A 539 GLU HA A 540 VAL H 1.0 0.0 4.0 252 212 A 540 VAL H A 539 GLU HB3 1.0 0.0 3.4 253 212 A 540 VAL H A 539 GLU HB2 1.0 0.0 3.4 254 213 A 540 VAL H A 541 ALA HB% 1.0 0.0 5.8 255 214 A 540 VAL H A 541 ALA H 1.0 0.0 2.7 256 215 A 540 VAL HA A 541 ALA H 1.0 0.0 5.0 257 216 A 540 VAL HB A 541 ALA H 1.0 0.0 3.2 258 217 A 540 VAL HG1% A 541 ALA H 1.0 0.0 4.8 259 218 A 540 VAL HG2% A 541 ALA H 1.0 0.0 4.8 260 219 A 541 ALA HA A 542 ALA H 1.0 0.0 5.0 261 220 A 541 ALA H A 542 ALA H 1.0 0.0 2.7 262 221 A 542 ALA H A 543 ILE HG13 1.0 0.0 5.0 263 222 A 542 ALA HA A 543 ILE H 1.0 0.0 4.0 264 223 A 542 ALA HB% A 543 ILE H 1.0 0.0 4.1 265 224 A 543 ILE H A 544 MET H 1.0 0.0 2.7 266 225 A 543 ILE HA A 544 MET H 1.0 0.0 4.0 267 226 A 544 MET H A 543 ILE HG13 1.0 0.0 5.0 268 227 A 543 ILE HG2% A 544 MET H 1.0 0.0 4.8 269 228 A 544 MET HA A 545 GLN H 1.0 0.0 4.0 270 229 A 544 MET HB2 A 545 GLN H 1.0 0.0 3.2 271 230 A 544 MET H A 545 GLN H 1.0 0.0 2.7 272 231 A 545 GLN HA A 546 ASP H 1.0 0.0 3.2 273 232 A 546 ASP H A 545 GLN HB3 1.0 0.0 4.0 274 233 A 546 ASP H A 545 GLN HB2 1.0 0.0 4.0 275 234 A 546 ASP H A 545 GLN HG2 1.0 0.0 5.1 276 234 A 545 GLN HG3 A 546 ASP H 1.0 0.0 5.1 277 235 A 548 VAL H A 547 PRO HD2 1.0 0.0 5.7 278 235 A 548 VAL H A 547 PRO HD3 1.0 0.0 5.7 279 236 A 548 VAL H A 549 MET H 1.0 0.0 2.7 280 237 A 548 VAL HA A 549 MET H 1.0 0.0 4.0 281 238 A 548 VAL HB A 549 MET H 1.0 0.0 2.7 282 239 A 548 VAL HG1% A 549 MET H 1.0 0.0 4.0 283 240 A 548 VAL HG2% A 549 MET H 1.0 0.0 4.8 284 241 A 549 MET H A 550 GLN H 1.0 0.0 2.7 285 242 A 549 MET HA A 550 GLN H 1.0 0.0 5.0 286 243 A 550 GLN H A 551 SER H 1.0 0.0 4.0 287 244 A 551 SER H A 550 GLN HB2 1.0 0.0 4.0 288 244 A 550 GLN HB3 A 551 SER H 1.0 0.0 4.0 289 245 A 551 SER H A 550 GLN HG2 1.0 0.0 5.7 290 245 A 550 GLN HG3 A 551 SER H 1.0 0.0 5.7 291 246 A 551 SER HA A 552 ILE H 1.0 0.0 5.0 292 247 A 552 ILE H A 551 SER HB2 1.0 0.0 3.9 293 247 A 551 SER HB3 A 552 ILE H 1.0 0.0 3.9 294 248 A 552 ILE H A 553 LEU H 1.0 0.0 2.7 295 249 A 552 ILE HA A 553 LEU H 1.0 0.0 4.0 296 250 A 552 ILE HD1% A 553 LEU H 1.0 0.0 5.8 297 251 A 552 ILE HG2% A 553 LEU H 1.0 0.0 4.8 298 252 A 553 LEU H A 554 GLN H 1.0 0.0 3.2 299 253 A 553 LEU HB3 A 554 GLN H 1.0 0.0 4.0 300 254 A 553 LEU HB2 A 554 GLN H 1.0 0.0 3.2 301 255 A 555 GLN H A 554 GLN H 1.0 0.0 3.2 302 256 A 555 GLN H A 556 ALA HB% 1.0 0.0 5.8 303 257 A 555 GLN H A 556 ALA H 1.0 0.0 2.7 304 258 A 555 GLN HA A 556 ALA H 1.0 0.0 4.0 305 259 A 556 ALA H A 555 GLN HB2 1.0 0.0 3.4 306 259 A 555 GLN HB3 A 556 ALA H 1.0 0.0 3.4 307 260 A 556 ALA HB% A 557 GLN H 1.0 0.0 4.0 308 261 A 556 ALA H A 557 GLN H 1.0 0.0 2.7 309 262 A 558 GLN H A 559 ASN H 1.0 0.0 3.2 310 263 A 559 ASN H A 558 GLN HB3 1.0 0.0 4.0 311 264 A 558 GLN HB2 A 559 ASN H 1.0 0.0 3.2 312 265 A 559 ASN H A 558 GLN HG2 1.0 0.0 5.0 313 265 A 559 ASN H A 558 GLN HG3 1.0 0.0 5.0 314 266 A 561 ALA H A 560 PRO HA 1.0 0.0 5.0 315 267 A 561 ALA H A 560 PRO HB3 1.0 0.0 5.0 316 268 A 561 ALA H A 560 PRO HB2 1.0 0.0 4.0 317 269 A 561 ALA H A 560 PRO HDy 1.0 0.0 5.7 318 269 A 561 ALA H A 560 PRO HDx 1.0 0.0 5.7 319 270 A 561 ALA H A 560 PRO HG2 1.0 0.0 3.9 320 270 A 561 ALA H A 560 PRO HG3 1.0 0.0 3.9 321 271 A 562 ALA H A 563 LEU H 1.0 0.0 3.2 322 272 A 562 ALA HA A 563 LEU H 1.0 0.0 4.0 323 273 A 562 ALA HB% A 563 LEU H 1.0 0.0 3.4 324 274 A 564 GLN H A 563 LEU HB2 1.0 2.7 5.9 325 275 A 565 GLU HA A 566 HIS H 1.0 0.0 4.0 326 276 A 565 GLU HB3 A 566 HIS H 1.0 0.0 4.0 327 277 A 566 HIS H A 565 GLU HB2 1.0 0.0 4.0 328 278 A 566 HIS H A 565 GLU HG2 1.0 0.0 4.0 329 278 A 565 GLU HG3 A 566 HIS H 1.0 0.0 4.0 330 279 A 566 HIS H A 567 MET H 1.0 0.0 2.7 331 280 A 566 HIS HA A 567 MET H 1.0 0.0 5.0 332 281 A 566 HIS HB3 A 567 MET H 1.0 0.0 5.0 333 282 A 566 HIS HB2 A 567 MET H 1.0 0.0 4.0 334 283 A 567 MET H A 568 LYS H 1.0 0.0 3.2 335 284 A 568 LYS H A 569 ASN H 1.0 0.0 3.2 336 285 A 571 GLU H A 570 PRO HA 1.0 0.0 4.0 337 286 A 571 GLU H A 570 PRO HD3 1.0 0.0 5.5 338 287 A 571 GLU H A 572 VAL HG2% 1.0 0.0 4.8 339 288 A 571 GLU H A 572 VAL H 1.0 0.0 2.7 340 289 A 571 GLU HA A 572 VAL H 1.0 0.0 5.0 341 290 A 572 VAL H A 571 GLU HB3 1.0 0.0 2.7 342 291 A 572 VAL H A 573 PHE H 1.0 0.0 2.7 343 292 A 572 VAL HA A 573 PHE H 1.0 0.0 5.0 344 293 A 572 VAL HB A 573 PHE H 1.0 0.0 3.2 345 294 A 572 VAL HG1% A 573 PHE H 1.0 0.0 4.8 346 295 A 572 VAL HG2% A 573 PHE H 1.0 0.0 4.8 347 296 A 573 PHE H A 574 LYS H 1.0 0.0 4.0 348 297 A 573 PHE HB3 A 574 LYS H 1.0 0.0 3.2 349 298 A 573 PHE HB2 A 574 LYS H 1.0 0.0 4.0 350 299 A 574 LYS H A 575 LYS H 1.0 0.0 3.2 351 300 A 575 LYS HA A 576 ILE H 1.0 0.0 4.0 352 301 A 575 LYS HB3 A 576 ILE H 1.0 0.0 3.2 353 302 A 575 LYS H A 576 ILE H 1.0 0.0 2.7 354 303 A 576 ILE HA A 577 GLN H 1.0 0.0 5.0 355 304 A 576 ILE HG12 A 577 GLN H 1.0 0.0 5.0 356 305 A 576 ILE HG2% A 577 GLN H 1.0 0.0 4.8 357 306 A 578 THR H A 577 GLN HGx 1.0 0.0 5.0 358 306 A 578 THR H A 577 GLN HGy 1.0 0.0 5.0 359 307 A 577 GLN H A 578 THR H 1.0 0.0 3.2 360 308 A 578 THR H A 579 LEU H 1.0 0.0 2.9 361 309 A 578 THR HB A 579 LEU H 1.0 0.0 3.2 362 310 A 579 LEU H A 580 ILE HB 1.0 0.0 5.0 363 311 A 579 LEU H A 580 ILE H 1.0 0.0 3.2 364 312 A 579 LEU HA A 580 ILE H 1.0 0.0 5.0 365 313 A 579 LEU HB3 A 580 ILE H 1.0 0.0 5.0 366 314 A 579 LEU HB2 A 580 ILE H 1.0 0.0 4.0 367 315 A 580 ILE HB A 581 ALA H 1.0 0.0 2.7 368 316 A 581 ALA H A 580 ILE HD1% 1.0 0.0 5.2 369 317 A 580 ILE HG13 A 581 ALA H 1.0 0.0 4.2 370 318 A 580 ILE HG2% A 581 ALA H 1.0 0.0 4.8 371 319 A 580 ILE H A 581 ALA H 1.0 0.0 2.7 372 320 A 581 ALA H A 582 ALA H 1.0 0.0 2.7 373 321 A 582 ALA H A 583 GLY H 1.0 0.0 2.7 374 322 A 582 ALA HB% A 583 GLY H 1.0 0.0 4.8 375 323 A 583 GLY HA2 A 584 ILE H 1.0 0.0 4.0 376 324 A 584 ILE H A 585 ILE H 1.0 0.0 2.7 377 325 A 584 ILE HA A 585 ILE H 1.0 0.0 5.0 378 326 A 584 ILE HB A 585 ILE H 1.0 0.0 4.0 379 327 A 584 ILE HG13 A 585 ILE H 1.0 0.0 4.0 380 328 A 585 ILE H A 586 ARG H 1.0 0.0 5.0 381 329 A 585 ILE HA A 586 ARG H 1.0 0.0 2.7 382 330 A 585 ILE HB A 586 ARG H 1.0 0.0 4.0 383 331 A 585 ILE HG13 A 586 ARG H 1.0 0.0 5.0 384 332 A 585 ILE HG2% A 586 ARG H 1.0 0.0 3.2 385 333 A 586 ARG HA A 587 THR H 1.0 0.0 4.0 386 334 A 587 THR H A 586 ARG HG2 1.0 0.0 5.8 387 334 A 586 ARG HG3 A 587 THR H 1.0 0.0 5.8 388 335 A 589 ARG H A 588 GLY HA2 1.0 0.0 3.4 389 335 A 589 ARG H A 588 GLY HA3 1.0 0.0 3.4 390 336 A 526 THR HA A 529 GLU HB2 1.0 0.0 5.0 391 337 A 526 THR H A 529 GLU HB3 1.0 5.0 6.0 392 338 A 526 THR H A 529 GLU H 1.0 0.0 5.0 393 339 A 528 GLU H A 526 THR HB 1.0 0.0 4.0 394 340 A 526 THR HG2% A 528 GLU H 1.0 0.0 5.8 395 341 A 528 GLU H A 531 TYR HB2 1.0 0.0 6.8 396 341 A 528 GLU H A 531 TYR HB3 1.0 0.0 6.8 397 342 A 531 TYR HA A 534 ALA HB% 1.0 0.0 3.5 398 343 A 531 TYR H A 527 PRO HB2 1.0 0.0 5.9 399 344 A 534 ALA H A 536 LYS H 1.0 0.0 4.5 400 345 A 534 ALA HB% A 536 LYS H 1.0 0.0 5.8 401 346 A 537 ASP HB3 A 540 VAL HG1% 1.0 0.0 5.8 402 347 A 537 ASP HB3 A 540 VAL HG2% 1.0 0.0 3.5 403 348 A 537 ASP HB2 A 540 VAL HG1% 1.0 5.8 7.8 404 349 A 537 ASP HB2 A 540 VAL HG2% 1.0 0.0 4.5 405 350 A 537 ASP H A 540 VAL HG1% 1.0 0.0 6.8 406 351 A 537 ASP H A 540 VAL HG2% 1.0 0.0 4.8 407 352 A 537 ASP H A 541 ALA HB% 1.0 5.8 8.5 408 353 A 541 ALA HB% A 538 PRO HA 1.0 0.0 3.2 409 354 A 540 VAL HG2% A 538 PRO HDy 1.0 0.0 6.5 410 354 A 540 VAL HG2% A 538 PRO HDx 1.0 0.0 6.5 411 355 A 543 ILE HD1% A 539 GLU HGx 1.0 0.0 7.5 412 355 A 543 ILE HD1% A 539 GLU HGy 1.0 0.0 7.5 413 356 A 540 VAL HA A 543 ILE HD1% 1.0 0.0 4.8 414 357 A 537 ASP HB3 A 540 VAL H 1.0 0.0 4.0 415 358 A 537 ASP HB2 A 540 VAL H 1.0 0.0 5.0 416 359 A 537 ASP HB3 A 541 ALA H 1.0 0.0 5.0 417 360 A 541 ALA H A 538 PRO HA 1.0 0.0 4.0 418 361 A 539 GLU HA A 541 ALA H 1.0 0.0 5.0 419 362 A 542 ALA H A 539 GLU HB3 1.0 0.0 5.8 420 362 A 542 ALA H A 539 GLU HB2 1.0 0.0 5.8 421 363 A 539 GLU H A 542 ALA H 1.0 0.0 5.0 422 364 A 540 VAL HB A 542 ALA H 1.0 0.0 5.0 423 365 A 540 VAL HG1% A 542 ALA H 1.0 0.0 6.0 424 366 A 540 VAL HA A 543 ILE H 1.0 0.0 4.0 425 367 A 540 VAL HA A 544 MET H 1.0 0.0 5.0 426 368 A 542 ALA HA A 544 MET H 1.0 0.0 5.0 427 369 A 541 ALA HA A 545 GLN H 1.0 0.0 5.0 428 370 A 546 ASP HB3 A 549 MET H 1.0 4.0 6.0 429 371 A 549 MET H A 547 PRO HA 1.0 0.0 5.0 430 372 A 549 MET H A 547 PRO HD2 1.0 0.0 5.7 431 372 A 549 MET H A 547 PRO HD3 1.0 0.0 5.7 432 373 A 549 MET H A 552 ILE HD1% 1.0 0.0 5.8 433 374 A 550 GLN H A 547 PRO HA 1.0 0.0 4.0 434 375 A 548 VAL HA A 551 SER H 1.0 0.0 5.0 435 376 A 549 MET H A 551 SER H 1.0 0.0 5.0 436 377 A 548 VAL HG1% A 552 ILE H 1.0 0.0 5.8 437 378 A 549 MET HA A 552 ILE H 1.0 0.0 4.0 438 379 A 549 MET HA A 553 LEU H 1.0 0.0 5.0 439 380 A 553 LEU H A 555 GLN HB2 1.0 0.0 5.7 440 380 A 553 LEU H A 555 GLN HB3 1.0 0.0 5.7 441 381 A 552 ILE HA A 555 GLN H 1.0 0.0 4.0 442 382 A 553 LEU HA A 556 ALA H 1.0 0.0 4.0 443 383 A 553 LEU HB2 A 556 ALA H 1.0 0.0 5.8 444 384 A 562 ALA HB% A 559 ASN HD21 1.0 5.8 8.8 445 385 A 562 ALA HB% A 559 ASN HD22 1.0 5.8 8.8 446 386 A 556 ALA HB% A 559 ASN H 1.0 0.0 5.8 447 387 A 557 GLN HA A 559 ASN H 1.0 0.0 5.0 448 388 A 559 ASN HA A 561 ALA H 1.0 0.0 4.0 449 389 A 563 LEU HA A 566 HIS H 1.0 0.0 4.0 450 390 A 566 HIS HA A 568 LYS H 1.0 0.0 5.0 451 391 A 566 HIS HB2 A 568 LYS H 1.0 0.0 5.0 452 392 A 565 GLU HA A 569 ASN H 1.0 0.0 5.0 453 393 A 566 HIS HA A 569 ASN H 1.0 0.0 5.0 454 394 A 569 ASN H A 572 VAL HG1% 1.0 5.8 8.5 455 395 A 569 ASN H A 572 VAL HG2% 1.0 5.8 9.3 456 396 A 569 ASN HA A 571 GLU H 1.0 0.0 6.8 457 397 A 569 ASN HB3 A 572 VAL H 1.0 0.0 5.0 458 398 A 572 VAL H A 570 PRO HA 1.0 0.0 5.0 459 399 A 573 PHE H A 570 PRO HA 1.0 0.0 4.0 460 400 A 573 PHE H A 571 GLU HB3 1.0 0.0 5.0 461 401 A 576 ILE H A 579 LEU H 1.0 0.0 5.5 462 402 A 576 ILE HA A 579 LEU H 1.0 0.0 4.0 463 403 A 576 ILE HA A 580 ILE H 1.0 0.0 5.0 464 404 A 577 GLN HA A 580 ILE H 1.0 0.0 4.0 465 405 A 577 GLN HA A 581 ALA H 1.0 0.0 5.0 466 406 A 578 THR HA A 581 ALA H 1.0 0.0 5.0 467 407 A 582 ALA HB% A 584 ILE HG13 1.0 0.0 4.8 468 408 A 579 LEU HA A 582 ALA H 1.0 0.0 4.0 469 409 A 580 ILE H A 582 ALA H 1.0 0.0 5.0 470 410 A 582 ALA HB% A 584 ILE H 1.0 0.0 5.5 471 411 A 530 THR HB A 584 ILE HG2% 1.0 0.0 5.8 472 412 A 530 THR HG2% A 584 ILE HD1% 1.0 0.0 6.5 473 413 A 531 TYR HA A 584 ILE HD1% 1.0 0.0 5.8 474 414 A 531 TYR HA A 584 ILE HG13 1.0 0.0 5.0 475 415 A 584 ILE HD1% A 531 TYR HB2 1.0 0.0 6.5 476 415 A 531 TYR HB3 A 584 ILE HD1% 1.0 0.0 6.5 477 416 A 540 VAL HG1% A 535 MET HA 1.0 0.0 4.0 478 417 A 541 ALA HB% A 535 MET HE% 1.0 0.0 4.7 479 418 A 535 MET HE% A 544 MET HGx 1.0 0.0 5.5 480 418 A 544 MET HGy A 535 MET HE% 1.0 0.0 5.5 481 419 A 584 ILE HD1% A 535 MET HE% 1.0 0.0 4.7 482 420 A 539 GLU H A 578 THR HG2% 1.0 0.0 5.8 483 421 A 540 VAL HG1% A 584 ILE HD1% 1.0 0.0 4.7 484 422 A 540 VAL HG2% A 578 THR HG2% 1.0 0.0 5.5 485 423 A 540 VAL HG2% A 582 ALA HB% 1.0 0.0 4.9 486 424 A 541 ALA HA A 535 MET HE% 1.0 0.0 4.0 487 425 A 541 ALA H A 578 THR HG2% 1.0 0.0 6.0 488 426 A 543 ILE HB A 579 LEU HD1% 1.0 0.0 5.5 489 426 A 543 ILE HB A 579 LEU HD2% 1.0 0.0 5.5 490 427 A 543 ILE HD1% A 575 LYS HA 1.0 0.0 4.0 491 428 A 543 ILE HD1% A 578 THR HB 1.0 0.0 4.0 492 429 A 543 ILE HD1% A 579 LEU HD1% 1.0 0.0 4.7 493 429 A 543 ILE HD1% A 579 LEU HD2% 1.0 0.0 4.7 494 430 A 543 ILE HG2% A 549 MET HB2 1.0 0.0 4.8 495 431 A 543 ILE HG2% A 549 MET HE% 1.0 0.0 4.2 496 432 A 543 ILE HG2% A 549 MET HGx 1.0 0.0 5.5 497 432 A 543 ILE HG2% A 549 MET HGy 1.0 0.0 5.5 498 433 A 543 ILE HG2% A 579 LEU HD1% 1.0 0.0 4.2 499 433 A 543 ILE HG2% A 579 LEU HD2% 1.0 0.0 4.2 500 434 A 544 MET HE% A 579 LEU HD1% 1.0 0.0 4.2 501 434 A 579 LEU HD2% A 544 MET HE% 1.0 0.0 4.2 502 435 A 584 ILE HD1% A 544 MET HE% 1.0 0.0 4.7 503 436 A 584 ILE HG2% A 544 MET HE% 1.0 0.0 4.2 504 437 A 544 MET HGy A 579 LEU HD1% 1.0 0.0 5.5 505 437 A 544 MET HGx A 579 LEU HD1% 1.0 0.0 5.5 506 437 A 579 LEU HD2% A 544 MET HGx 1.0 0.0 5.5 507 437 A 544 MET HGy A 579 LEU HD2% 1.0 0.0 5.5 508 438 A 584 ILE HD1% A 544 MET HGx 1.0 0.0 5.5 509 438 A 544 MET HGy A 584 ILE HD1% 1.0 0.0 5.5 510 439 A 544 MET H A 579 LEU HD1% 1.0 0.0 6.5 511 439 A 544 MET H A 579 LEU HD2% 1.0 0.0 6.5 512 440 A 548 VAL HG1% A 576 ILE HD1% 1.0 0.0 5.8 513 441 A 549 MET HE% A 579 LEU HG 1.0 0.0 4.0 514 442 A 580 ILE HD1% A 549 MET HE% 1.0 0.0 6.8 515 443 A 552 ILE HD1% A 572 VAL HG1% 1.0 0.0 4.2 516 444 A 552 ILE HD1% A 572 VAL HG2% 1.0 0.0 4.7 517 445 A 552 ILE HG12 A 572 VAL HG1% 1.0 0.0 5.8 518 446 A 552 ILE HG2% A 572 VAL HG1% 1.0 0.0 4.7 519 447 A 552 ILE HG2% A 572 VAL HG2% 1.0 0.0 6.5 520 448 A 556 ALA HA A 563 LEU HDx% 1.0 0.0 6.5 521 448 A 556 ALA HA A 563 LEU HDy% 1.0 0.0 6.5 522 449 A 552 ILE HG2% A 563 LEU HA 1.0 0.0 5.8 523 450 A 552 ILE HG2% A 563 LEU HDx% 1.0 0.0 5.5 524 450 A 552 ILE HG2% A 563 LEU HDy% 1.0 0.0 5.5 525 451 A 566 HIS HA A 572 VAL HG1% 1.0 0.0 5.8 526 452 A 552 ILE HD1% A 566 HIS HB3 1.0 0.0 5.8 527 453 A 552 ILE HG2% A 566 HIS HB3 1.0 0.0 5.8 528 454 A 566 HIS HB3 A 572 VAL HG1% 1.0 0.0 4.8 529 455 A 566 HIS HB3 A 572 VAL HG2% 1.0 0.0 5.8 530 456 A 566 HIS HB3 A 576 ILE HD1% 1.0 0.0 5.8 531 457 A 552 ILE HD1% A 566 HIS HB2 1.0 0.0 5.8 532 458 A 552 ILE HG2% A 566 HIS HB2 1.0 0.0 5.8 533 459 A 566 HIS HB2 A 572 VAL HG1% 1.0 0.0 4.8 534 460 A 566 HIS HB2 A 572 VAL HG2% 1.0 0.0 5.8 535 461 A 566 HIS HB2 A 576 ILE HD1% 1.0 0.0 5.8 536 462 A 576 ILE HG2% A 567 MET HE% 1.0 0.0 4.7 537 463 A 580 ILE HD1% A 567 MET HE% 1.0 0.0 4.7 538 464 A 573 PHE HD% A 567 MET HG3 1.0 0.0 5.7 539 465 A 576 ILE HD1% A 567 MET HG3 1.0 0.0 6.5 540 466 A 576 ILE HG2% A 567 MET HG3 1.0 0.0 6.5 541 467 A 567 MET H A 576 ILE HD1% 1.0 0.0 5.8 542 468 A 567 MET H A 576 ILE HG2% 1.0 0.0 5.8 543 469 A 543 ILE HD1% A 575 LYS HE2 1.0 0.0 6.5 544 469 A 543 ILE HD1% A 575 LYS HE3 1.0 0.0 6.5 545 470 A 543 ILE HG13 A 575 LYS HE2 1.0 0.0 5.7 546 470 A 543 ILE HG13 A 575 LYS HE3 1.0 0.0 5.7 547 471 A 543 ILE HD1% A 575 LYS HG2 1.0 0.0 5.8 548 472 A 575 LYS HG2 A 543 ILE HG13 1.0 0.0 5.0 549 473 A 566 HIS HB3 A 576 ILE HB 1.0 0.0 5.5 550 474 A 552 ILE HG2% A 576 ILE HG13 1.0 0.0 5.8 551 475 A 578 THR HB A 539 GLU HB2 1.0 0.0 5.0 552 476 A 578 THR HG2% A 539 GLU HB2 1.0 0.0 5.8 553 477 A 578 THR HG2% A 539 GLU HGx 1.0 0.0 6.5 554 477 A 578 THR HG2% A 539 GLU HGy 1.0 0.0 6.5 555 478 A 540 VAL HA A 578 THR HG2% 1.0 0.0 5.8 556 479 A 579 LEU HB3 A 584 ILE HG12 1.0 0.0 5.0 557 480 A 579 LEU HB3 A 585 ILE HD1% 1.0 0.0 5.8 558 481 A 579 LEU HB3 A 585 ILE HG13 1.0 0.0 5.0 559 482 A 579 LEU HB3 A 585 ILE HG2% 1.0 0.0 5.8 560 483 A 579 LEU HB2 A 584 ILE HG12 1.0 0.0 6.5 561 484 A 579 LEU HB2 A 585 ILE HG13 1.0 0.0 5.0 562 485 A 579 LEU HB2 A 585 ILE HG2% 1.0 0.0 5.8 563 486 A 584 ILE HB A 579 LEU HD1% 1.0 0.0 6.5 564 486 A 584 ILE HB A 579 LEU HD2% 1.0 0.0 6.5 565 487 A 584 ILE HG13 A 579 LEU HD1% 1.0 0.0 5.5 566 487 A 584 ILE HG13 A 579 LEU HD2% 1.0 0.0 5.5 567 488 A 584 ILE HG12 A 579 LEU HD1% 1.0 0.0 6.5 568 488 A 584 ILE HG12 A 579 LEU HD2% 1.0 0.0 6.5 569 489 A 580 ILE HA A 585 ILE HB 1.0 0.0 4.0 570 490 A 580 ILE HA A 585 ILE H 1.0 0.0 5.0 571 491 A 580 ILE HG13 A 585 ILE HB 1.0 0.0 5.0 572 492 A 530 THR HG2% A 583 GLY HA3 1.0 0.0 5.8 573 493 A 530 THR HG2% A 583 GLY HA2 1.0 0.0 5.8 574 494 A 584 ILE HD1% A 531 TYR HE% 1.0 0.0 6.8 575 495 A 584 ILE HD1% A 579 LEU HD1% 1.0 0.0 6.5 576 495 A 584 ILE HD1% A 579 LEU HD2% 1.0 0.0 6.5 577 496 A 584 ILE HG2% A 579 LEU HD1% 1.0 0.0 6.5 578 496 A 584 ILE HG2% A 579 LEU HD2% 1.0 0.0 6.5 579 497 A 576 ILE HA A 585 ILE HD1% 1.0 0.0 5.0 580 498 A 579 LEU HB2 A 585 ILE HD1% 1.0 0.0 5.0 581 499 A 580 ILE HG12 A 585 ILE H 1.0 0.0 5.0 582 500 A 587 THR HG2% A 580 ILE HD1% 1.0 0.0 5.5 583 501 A 580 ILE HG2% A 587 THR HG2% 1.0 0.0 5.5 stop_ save_