NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.0543 8.1233 122.4566 51.9840 20.8322 175.7921 *503 D 4.1950 8.5477 118.6205 54.5299 40.8672 176.1103 504 C 4.5079 8.8019 121.1487 59.5539 41.1761 173.8523 505 A 4.7123 7.3671 117.7429 50.9038 22.6162 175.3612 506 K 4.7619 7.8071 119.7017 54.0719 35.5685 176.4253 507 G 3.8722 7.6836 113.4493 45.6251 0.0000 171.5475 508 K 4.5871 7.9956 118.4026 55.8942 32.8107 176.7923 509 I 4.1151 8.0421 122.3197 60.9484 37.7141 175.8517 510 E 4.2909 9.2118 128.3801 59.0043 30.0694 176.5925 511 F 5.1156 7.3120 111.8013 55.9709 40.9169 172.9315 512 S 5.2457 8.9023 113.9289 56.7370 66.4978 173.1862 513 K 4.5151 8.2703 121.6291 55.3190 35.6976 173.9879 514 Y 4.8044 8.8084 129.2162 57.1571 39.6805 174.3178 515 N 4.8882 8.5034 124.1988 51.6235 40.5988 176.0374 516 E 3.9865 8.9035 122.0424 59.3490 29.8675 177.3967 517 D 4.5566 7.9317 115.5426 53.2944 39.4890 176.3439 518 N 4.1186 8.0632 115.6070 54.0473 36.7210 174.1363 519 T 4.6467 7.8831 109.7074 60.7379 71.5487 173.1931 520 F 5.3832 9.1592 123.7098 56.7576 42.6224 173.6886 521 T 5.3938 8.5428 122.0124 61.9784 71.7133 173.5526 522 V 4.7970 9.2131 117.7640 59.3850 36.4986 174.3444 523 K 4.6894 8.1623 124.5949 54.5738 34.4920 174.9616 524 V 4.4961 8.3942 127.0840 61.5029 34.7813 175.6385 525 S 3.4265 9.6276 123.7720 59.8034 60.1740 173.4301 526 G 3.9358 8.3987 105.6097 45.7842 0.0000 173.8902 527 R 4.6347 7.7384 118.5345 54.2204 33.6864 174.5627 528 E 4.9518 8.4632 121.2342 55.1888 32.0879 174.8071 529 Y 5.2424 9.0309 120.1661 56.1460 42.9430 174.1749 530 W 5.7540 8.7381 118.3026 55.2484 32.2501 173.9556 531 T 4.5472 9.1127 114.5947 60.1703 70.5886 173.6274 532 N 4.9927 8.6226 122.7626 52.6136 37.8078 174.7096 533 R 4.0512 7.6615 119.4805 55.1254 29.8531 177.3795 534 W 4.2530 8.1095 122.3797 59.5917 27.5156 177.8752 535 N 4.3443 7.3188 116.9294 56.0976 37.8414 177.0809 536 L 4.1288 7.6030 120.5059 57.4560 41.6148 179.0151 537 Q 3.2618 7.6597 118.7434 58.6139 28.6909 177.6957 538 P 4.2686 0.0000 0.0000 65.7520 31.4312 178.4041 539 L 3.8580 7.3542 115.5784 57.5614 41.5180 179.4180 540 L 4.3202 8.8189 119.7006 57.9669 41.5315 179.3864 541 Q 4.1579 8.2752 119.5080 59.3129 29.0185 178.4610 542 S 4.1072 8.3060 115.9903 61.4775 62.8123 176.2476 543 A 4.0975 8.1099 123.4867 55.5460 17.5953 179.5438 544 Q 3.9679 8.3369 117.8464 59.3942 28.9532 178.4003 545 L 4.1790 8.2008 119.4861 56.9161 41.7502 178.3999 546 T 4.4645 7.9289 107.2998 60.2772 69.7800 174.2940 547 G 3.8309 7.7447 108.4730 47.1903 0.0000 173.9480 548 M 4.4612 8.1448 117.8936 55.0105 33.8091 176.8757 549 T 4.5977 8.3711 116.9430 62.5716 70.4274 174.6104 550 V 4.7374 8.5881 119.8426 59.8311 35.3117 175.0931 551 T 4.7337 8.0687 118.6116 61.8319 71.9102 173.2615 552 I 3.8072 8.0572 128.4212 60.3594 38.4164 175.0262 553 I 4.8447 7.8998 128.2247 59.6483 39.2101 174.9219 554 S 4.4324 8.3146 120.3838 57.9622 65.4483 173.9233 555 N 4.5292 8.8497 118.5826 54.4682 38.8248 175.8006 556 T 4.5286 7.7942 107.9821 60.2155 70.1916 174.4048 557 C 4.9085 8.7429 122.8840 56.3658 35.3599 174.1478 558 S 4.3934 7.8340 115.9118 57.5096 63.4363 173.5002 559 S 3.7297 8.4200 117.0130 60.4824 62.2398 174.6337 560 G 4.0442 9.2726 116.3933 45.1996 0.0000 173.5765 561 S 4.6624 7.7433 115.7162 57.8945 64.5034 173.8662 562 G 2.9169 8.2645 109.0435 45.2467 0.0000 172.8662 563 F 4.9832 7.7388 115.1452 55.1325 41.2341 174.5329 564 A 4.3457 8.3049 119.6121 52.0475 20.5786 175.3549 565 E 4.8705 8.2733 119.3279 55.6857 33.0157 174.5502 566 V 4.7989 8.3383 124.7507 60.3847 34.7658 173.1673 567 Q 4.5642 8.5827 123.9474 54.3455 31.5643 173.9063 568 F 5.2827 8.8813 124.4876 55.8275 41.1217 175.4037 569 N 4.7129 8.8860 120.2878 53.3710 38.5028 174.4654 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 501 A 8.12 4.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *503 D 8.55 4.19 0.00 2.52 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 C 8.80 4.51 0.00 2.46 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 A 7.37 4.71 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 K 7.81 4.76 0.00 1.71 1.58 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.44 7.81 507 G 7.68 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 K 8.00 4.59 0.00 1.76 1.76 0.00 1.87 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 509 I 8.04 4.12 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.49 0.96 0.00 0.00 510 E 9.21 4.29 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 511 F 7.31 5.12 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 512 S 8.90 5.25 0.00 3.57 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 K 8.27 4.52 0.00 1.90 1.68 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.39 7.81 514 Y 8.81 4.80 0.00 3.36 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 N 8.50 4.89 0.00 2.81 2.63 0.00 0.00 6.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 E 8.90 3.99 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 517 D 7.93 4.56 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 N 8.06 4.12 0.00 2.94 3.06 0.00 0.00 6.86 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 T 7.88 4.65 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 520 F 9.16 5.38 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 T 8.54 5.39 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 522 V 9.21 4.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.05 0.00 0.00 523 K 8.16 4.69 0.00 0.79 0.75 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.12 1.22 7.81 524 V 8.39 4.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.81 0.00 0.00 525 S 9.63 3.43 0.00 4.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 G 8.40 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 R 7.74 4.63 0.00 1.80 1.38 0.00 3.22 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 528 E 8.46 4.95 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 529 Y 9.03 5.24 0.00 2.74 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 W 8.74 5.75 0.00 3.60 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 531 T 9.11 4.55 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 532 N 8.62 4.99 0.00 2.95 3.10 0.00 0.00 6.10 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 R 7.66 4.05 0.00 1.71 1.64 0.00 3.06 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 534 W 8.11 4.25 0.00 3.65 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 535 N 7.32 4.34 0.00 2.59 2.75 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 L 7.60 4.13 0.00 1.78 1.78 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.66 3.26 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.47 2.20 0.00 538 P 0.00 4.27 0.00 2.25 2.30 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 539 L 7.35 3.86 0.00 1.96 1.46 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.82 4.32 0.00 2.00 2.09 1.34 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 541 Q 8.28 4.16 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 542 S 8.31 4.11 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 A 8.11 4.10 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 Q 8.34 3.97 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 545 L 8.20 4.18 0.00 1.84 1.75 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 546 T 7.93 4.46 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 547 G 7.74 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 M 8.14 4.46 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 549 T 8.37 4.60 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 550 V 8.59 4.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.81 0.00 0.00 551 T 8.07 4.73 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 552 I 8.06 3.81 0.99 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.28 -0.29 0.00 0.00 553 I 7.90 4.84 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.58 0.94 0.00 0.00 554 S 8.31 4.43 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 N 8.85 4.53 0.00 2.74 2.85 0.00 0.00 6.68 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 T 7.79 4.53 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 557 C 8.74 4.91 0.00 3.01 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 S 7.83 4.39 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 S 8.42 3.73 0.00 3.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 G 9.27 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 S 7.74 4.66 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 G 8.26 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 563 F 7.74 4.98 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 564 A 8.30 4.35 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 E 8.27 4.87 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 566 V 8.34 4.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.27 0.00 0.00 567 Q 8.58 4.56 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 568 F 8.88 5.28 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 N 8.89 4.71 0.00 2.69 2.68 0.00 0.00 6.90 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.