NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 525 G 3.9143 8.3393 109.7324 45.1059 0.0000 172.8378 526 K 3.9464 8.1698 117.8937 56.4561 34.4927 173.5861 527 N 3.9497 9.5267 117.0854 53.5510 37.3619 173.5803 528 P 4.3135 0.0000 0.0000 65.3402 31.9607 179.3414 529 V 3.7977 7.3877 113.2755 63.8374 31.0748 177.1596 *531 E 4.2173 8.2353 119.8707 55.8924 31.3487 177.9564 532 L 3.8421 8.2210 120.3853 58.0147 41.8297 178.4840 533 N 4.6568 7.8741 117.5463 56.0055 38.8889 176.3125 534 E 4.0711 7.7338 118.3954 58.2150 29.5711 178.4287 535 K 4.2709 7.5064 117.2362 56.5556 32.9743 176.9399 536 R 4.4164 8.0402 121.2949 55.0504 33.0605 175.5828 537 R 4.2508 8.5870 121.6522 56.5121 30.3537 172.4965 538 G 4.0309 8.6879 105.3988 46.8242 0.0000 174.2632 539 L 4.1540 8.0146 118.3286 54.1540 42.3437 176.5870 540 K 4.5552 8.3454 120.7244 54.9176 33.9284 174.7100 541 Y 4.7506 8.7104 121.3547 56.4990 39.4269 174.7593 542 E 4.6555 9.1342 125.1747 54.4197 31.4591 175.8022 543 L 4.2488 8.6283 126.8712 55.3016 41.9524 176.2083 544 I 4.3057 8.8676 128.2464 62.7263 38.4497 176.2255 545 S 4.6473 7.8858 114.7145 57.3050 65.8502 173.4868 546 E 4.8817 8.6112 127.6067 55.6537 31.7973 173.5352 547 T 4.5364 8.6165 117.2713 60.5035 73.1085 174.2375 548 G 4.2469 8.3477 105.3585 46.5036 0.0000 173.1480 549 G 3.8818 8.0458 108.1006 44.0137 0.0000 174.4833 550 S 4.0738 8.7790 115.7849 61.6868 62.1186 175.1110 *551 H 5.0263 7.5499 115.6163 53.5409 28.9347 176.1656 552 D 4.5944 7.8678 115.9246 53.0889 42.5120 175.1825 553 K 4.2694 8.0589 119.5623 56.9519 33.9327 177.7577 554 R 4.7880 8.3684 122.8603 55.4325 33.3115 174.0303 555 F 5.4557 9.3401 123.9882 54.8498 42.3110 175.0886 556 V 5.1728 8.6448 120.8876 59.8948 36.0013 173.4749 *558 E 4.8377 8.4883 122.5102 56.0068 31.0062 174.5507 559 V 4.7626 8.8751 125.1373 58.6605 35.0149 173.6740 560 E 5.0247 8.7057 124.4269 54.6689 31.0781 175.1488 561 V 4.4030 9.0262 126.4419 62.5404 34.8181 174.8949 562 D 4.3700 9.8756 126.6364 55.7902 38.2439 173.8865 563 G 4.0370 8.2623 100.3304 46.3474 0.0000 172.9084 564 Q 4.5401 8.2067 117.6242 53.5769 32.7327 174.5395 565 K 4.7865 8.1587 121.7235 55.1938 33.9479 176.0613 566 F 4.8989 9.0679 122.1388 55.8706 42.9276 173.9735 567 Q 5.1279 9.0544 121.0916 54.2596 32.2117 175.0292 568 G 4.5196 8.5804 106.3767 44.8735 0.0000 171.3533 569 A 5.1975 8.3030 123.2363 50.1039 22.8140 174.9868 570 G 4.1768 8.3688 105.7160 46.2429 0.0000 174.3654 571 S 5.0472 9.3688 112.7289 58.5728 63.9358 174.1987 572 N 5.2540 7.8307 118.5425 50.4583 41.5192 175.1197 573 K 3.6430 7.8610 121.0754 59.2088 32.1055 179.5208 574 K 3.8127 7.7972 119.6760 59.5795 32.1987 179.1873 575 V 3.6421 7.7644 118.6105 64.4288 31.4361 177.9962 576 A 4.1542 7.9722 121.2009 55.0897 18.2186 179.7096 577 K 3.9691 8.1852 116.7719 59.5453 31.9988 179.3403 578 A 3.9003 7.9824 120.9585 55.5633 18.2354 179.3815 579 Y 4.0448 8.3273 115.0262 60.8867 38.0020 178.5240 580 A 4.2221 8.2752 121.7632 55.2729 18.5044 179.5930 581 A 4.0840 8.4815 119.5374 55.1896 18.3932 179.5409 582 L 3.8683 8.3678 119.0141 58.2197 42.1402 179.1111 583 A 4.0178 8.3669 120.5691 55.1068 18.3782 179.4889 584 A 2.5800 7.6391 118.7526 54.6043 18.3219 179.8662 585 L 4.1531 8.0602 117.6988 58.1376 41.5150 179.6312 586 E 4.0050 8.1137 117.3917 59.1438 29.4343 179.1189 587 K 4.0849 7.7462 118.6148 59.0441 32.5420 178.1815 588 L 4.2660 7.8686 116.6986 54.1039 43.5217 176.9483 589 F 4.7121 7.9930 119.6615 57.0522 39.3336 173.7664 590 P 4.4794 0.0000 0.0000 62.2813 30.4014 175.3062 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 525 G 8.34 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 0.00 0.00 0.00 526 K 8.17 3.95 0.00 1.90 1.84 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.52 7.81 527 N 9.53 3.95 0.00 2.79 2.80 0.00 0.00 6.84 7.69 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 0.00 528 P 0.00 4.31 0.00 2.29 2.07 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 529 V 7.39 3.80 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.70 0.00 0.00 *531 E 8.24 4.22 0.00 2.02 1.96 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 2.56 2.21 0.00 532 L 8.22 3.84 0.00 1.82 1.90 0.95 0.54 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 0.00 533 N 7.87 4.66 0.00 2.92 2.82 0.00 0.00 7.19 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 E 7.73 4.07 0.00 2.09 1.91 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 2.29 2.44 0.00 535 K 7.51 4.27 0.00 1.31 1.07 0.00 1.07 0.00 0.00 1.39 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.92 0.21 7.81 536 R 8.04 4.42 0.00 1.76 1.80 0.00 3.34 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 537 R 8.59 4.25 0.00 1.83 1.71 0.00 3.39 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 538 G 8.69 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 L 8.01 4.15 0.00 1.67 1.42 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 540 K 8.35 4.56 0.00 1.77 1.71 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.43 7.81 541 Y 8.71 4.75 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 E 9.13 4.66 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 543 L 8.63 4.25 0.00 1.70 1.66 1.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 544 I 8.87 4.31 1.92 0.00 0.00 0.89 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 1.01 0.93 0.00 0.00 545 S 7.89 4.65 0.00 3.89 3.67 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 0.00 546 E 8.61 4.88 0.00 2.14 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 2.10 1.94 0.00 547 T 8.62 4.54 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 548 G 8.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 G 8.05 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 0.00 0.00 0.00 550 S 8.78 4.07 0.00 3.84 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 *551 H 7.55 5.03 0.00 2.93 2.87 0.00 7.29 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 D 7.87 4.59 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 K 8.06 4.27 0.00 1.81 1.12 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.58 1.43 7.81 554 R 8.37 4.79 0.00 1.45 1.74 0.00 3.22 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 555 F 9.34 5.46 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.64 5.17 2.14 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 1.34 0.00 0.00 0.97 0.00 0.00 *558 E 8.49 4.84 0.00 2.16 1.88 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 2.27 2.45 0.00 559 V 8.88 4.76 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.36 0.00 0.00 560 E 8.71 5.02 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 561 V 9.03 4.40 2.31 0.00 0.00 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 0.99 0.00 0.00 562 D 9.88 4.37 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 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 0.00 564 Q 8.21 4.54 0.00 2.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 565 K 8.16 4.79 0.00 1.43 1.60 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.32 7.81 566 F 9.07 4.90 0.00 2.97 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 0.00 567 Q 9.05 5.13 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 568 G 8.58 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 5.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 G 8.37 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 S 9.37 5.05 0.00 4.06 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 0.00 572 N 7.83 5.25 0.00 2.85 2.97 0.00 0.00 6.24 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 K 7.86 3.64 0.00 1.48 1.63 0.00 1.37 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.71 0.21 7.81 574 K 7.80 3.81 0.00 1.73 1.74 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 575 V 7.76 3.64 2.12 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 0.95 0.00 0.00 1.01 0.00 0.00 576 A 7.97 4.15 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 K 8.19 3.97 0.00 1.81 1.43 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.37 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.36 1.56 7.81 578 A 7.98 3.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 Y 8.33 4.04 0.00 3.33 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 A 8.28 4.22 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 A 8.48 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 L 8.37 3.87 0.00 1.82 1.93 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 583 A 8.37 4.02 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 A 7.64 2.58 0.88 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 0.00 0.00 585 L 8.06 4.15 0.00 1.87 1.79 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 586 E 8.11 4.01 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 587 K 7.75 4.08 0.00 1.90 1.78 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.80 1.61 7.81 588 L 7.87 4.27 0.00 0.70 0.76 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 589 F 7.99 4.71 0.00 3.03 2.88 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 0.00 590 P 0.00 4.48 0.00 2.16 1.92 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.