NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.0579 8.1233 122.4557 51.9743 20.7917 175.8285 *503 D 4.6188 8.5689 119.0265 54.5389 40.9003 176.0270 504 C 4.5006 8.8380 121.3308 59.5469 41.9933 173.9973 505 A 4.7540 7.3720 117.7807 50.7992 22.5185 175.3711 506 K 4.7471 8.1195 119.6031 53.6917 35.7895 176.7629 507 G 3.8673 7.6234 112.9045 45.6057 0.0000 171.6288 508 K 4.6389 7.9749 118.6026 55.8759 32.8473 176.7971 509 I 4.0047 8.0734 122.4588 60.9346 37.5803 175.8015 510 E 4.2982 9.1461 128.5154 58.9675 30.0213 176.5362 511 F 5.1467 7.3887 112.0154 56.0487 41.0251 172.7148 512 S 5.2203 8.8748 113.4962 56.7263 66.5497 173.1322 513 K 4.5493 8.4082 121.5741 55.2410 35.7604 173.9653 514 Y 4.8422 8.7789 128.8685 56.7886 39.8773 174.6295 515 N 4.8880 8.4089 124.1310 51.4366 40.6337 175.8228 516 E 4.0282 8.6322 120.7330 59.3058 29.7916 177.2680 517 D 4.5271 7.8956 115.3400 53.2994 39.6749 176.0375 518 N 4.0313 7.8142 115.9854 54.3047 36.4762 174.0083 519 T 4.7124 7.8348 109.2524 60.4297 71.9293 172.9419 520 F 5.4484 9.2217 123.3528 56.7653 42.8121 173.5877 521 T 5.4606 8.5851 121.7009 62.0200 71.9267 173.5188 522 V 4.7953 9.1716 117.3694 59.4323 36.6448 174.3847 523 K 4.7392 8.2057 124.5012 54.6093 34.3999 174.9343 524 V 4.5210 8.4143 127.3466 61.5928 34.8481 175.6341 525 S 3.7467 9.6958 122.7403 59.7556 60.2714 173.6227 526 G 3.9462 7.6968 105.5591 45.7105 0.0000 174.2294 527 R 4.6002 7.7931 118.7625 54.2357 33.5723 174.6086 528 E 4.8641 8.1748 121.2671 55.1747 31.8891 174.8214 529 Y 5.3720 9.1356 120.8701 56.0260 42.7355 174.2972 530 W 5.7328 8.8112 118.7497 55.2894 32.2186 173.9909 531 T 4.4194 9.1169 114.3323 60.3672 70.4672 173.6297 532 N 5.0663 8.6656 123.1886 52.5978 37.9122 174.7295 533 R 3.9728 7.6594 119.6736 55.3757 29.9917 177.2765 534 W 4.4869 7.6476 120.5263 57.9427 28.4059 178.0090 535 N 4.3748 7.4077 117.3524 56.1289 38.0067 176.9137 536 L 4.1574 7.6209 120.4764 57.3014 41.5955 179.0196 537 Q 3.1403 7.4894 118.2181 58.4951 28.6594 177.4190 538 P 4.2553 0.0000 0.0000 65.7773 31.3785 178.4094 539 L 3.8437 7.3322 115.5582 57.5857 41.4427 179.4425 540 L 4.3159 8.5526 119.3372 57.8916 41.5332 179.3282 541 Q 4.1374 8.3275 119.5742 59.4385 28.9517 178.5346 542 S 4.1467 8.2349 116.0255 61.3857 62.7557 176.3780 543 A 4.0681 8.1601 123.5922 55.2348 18.1846 179.5024 544 Q 3.9491 8.4312 118.1340 59.5035 29.0231 178.4144 545 L 4.1120 8.1808 119.2103 57.4871 41.7293 178.6690 546 T 4.4628 8.0416 106.9784 60.6560 69.1830 174.7521 547 G 3.9178 7.9094 108.5059 47.1880 0.0000 174.3285 548 M 4.4022 8.1387 118.3610 55.2091 33.3493 176.3317 549 T 4.5545 8.4227 117.4654 62.7613 70.2300 174.4673 550 V 4.7208 8.4651 119.8651 59.7852 35.3300 175.1486 551 T 4.7095 8.1541 119.0707 61.8121 71.7259 173.2565 552 I 3.9053 8.1909 128.5435 60.4257 38.4487 175.0469 553 I 4.8412 7.6970 128.1057 59.6796 39.0763 174.9116 554 S 4.4189 8.3848 120.3273 57.8364 65.4509 174.6230 555 N 4.4790 8.9112 119.9860 55.0239 38.6540 175.9109 556 T 4.5305 7.7702 107.9656 60.2198 70.2343 174.4911 557 C 4.8754 8.7289 122.7218 56.3567 35.7794 174.0833 558 S 4.4070 7.7936 115.9664 57.5363 63.4334 173.5324 559 S 3.7976 8.4447 117.2508 60.4661 62.2609 174.6145 560 G 4.0689 9.1750 116.2292 45.1162 0.0000 173.6797 561 S 4.6607 7.8833 115.9350 57.9790 64.4187 174.0474 562 G 2.8959 8.3115 109.2993 45.5052 0.0000 172.8413 563 F 4.9975 7.5729 114.6574 55.3282 40.9914 174.2327 564 A 4.3900 8.4469 120.1015 51.6465 20.8224 175.2707 565 E 4.9060 8.1204 118.4440 55.1743 33.1805 174.7121 566 V 4.7817 8.2796 124.2392 60.5723 34.4967 172.7379 567 Q 4.5114 8.5401 124.7669 54.4239 31.3687 173.9607 568 F 5.1271 8.8036 124.3953 55.8909 40.9956 175.2757 569 N 4.6977 9.3052 121.1994 53.2795 38.3503 174.8312 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 4.06 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 8.57 4.62 0.00 2.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.50 0.00 2.42 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 0.00 505 A 7.37 4.75 1.12 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 0.00 0.00 506 K 8.12 4.75 0.00 1.70 1.58 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.30 7.81 507 G 7.62 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 7.97 4.64 0.00 1.77 1.77 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 509 I 8.07 4.00 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.97 0.00 0.00 510 E 9.15 4.30 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 511 F 7.39 5.15 0.00 3.08 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 8.87 5.22 0.00 3.47 3.93 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 0.00 513 K 8.41 4.55 0.00 1.93 1.68 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.40 7.81 514 Y 8.78 4.84 0.00 3.34 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 8.41 4.89 0.00 2.91 2.63 0.00 0.00 6.22 7.01 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 0.00 516 E 8.63 4.03 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 517 D 7.90 4.53 0.00 2.73 2.68 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 0.00 518 N 7.81 4.03 0.00 2.95 3.03 0.00 0.00 6.84 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 0.00 519 T 7.83 4.71 4.60 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 1.21 0.00 0.00 520 F 9.22 5.45 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 T 8.59 5.46 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 1.29 0.00 0.00 522 V 9.17 4.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.07 0.00 0.00 523 K 8.21 4.74 0.00 0.79 0.75 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.12 1.24 7.81 524 V 8.41 4.52 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.84 0.00 0.00 525 S 9.70 3.75 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 7.70 3.95 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 0.00 0.00 0.00 527 R 7.79 4.60 0.00 1.74 1.37 0.00 3.12 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 1.54 0.00 528 E 8.17 4.86 0.00 1.84 1.80 0.00 0.00 0.00 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 2.19 0.00 529 Y 9.14 5.37 0.00 2.66 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 0.00 530 W 8.81 5.73 0.00 3.63 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.42 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 1.13 0.00 0.00 532 N 8.67 5.07 0.00 2.98 3.14 0.00 0.00 6.12 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 3.97 0.00 1.71 1.65 0.00 3.06 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 534 W 7.65 4.49 0.00 3.69 3.42 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 0.00 0.00 0.00 0.00 535 N 7.41 4.37 0.00 2.63 2.76 0.00 0.00 7.14 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 7.62 4.16 0.00 1.77 1.76 0.87 1.11 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 7.49 3.14 0.00 2.28 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 1.56 2.23 0.00 538 P 0.00 4.26 0.00 2.24 2.30 0.00 3.73 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 2.07 0.00 539 L 7.33 3.84 0.00 1.94 1.46 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.55 4.32 0.00 1.84 2.07 1.33 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 541 Q 8.33 4.14 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 542 S 8.23 4.15 0.00 3.88 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 8.16 4.07 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 8.43 3.95 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 545 L 8.18 4.11 0.00 1.67 1.76 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.04 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 1.23 0.00 0.00 547 G 7.91 3.92 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 0.00 548 M 8.14 4.40 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 549 T 8.42 4.55 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 550 V 8.47 4.72 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 0.65 0.00 0.00 0.86 0.00 0.00 551 T 8.15 4.71 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 552 I 8.19 3.91 1.03 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.43 -0.31 0.00 0.00 553 I 7.70 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 0.59 0.93 0.00 0.00 554 S 8.38 4.42 0.00 3.79 3.60 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 0.00 555 N 8.91 4.48 0.00 2.74 2.85 0.00 0.00 6.74 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 7.77 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 8.73 4.88 0.00 3.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.41 0.00 4.02 4.02 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 0.00 559 S 8.44 3.80 0.00 3.71 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.66 0.00 4.07 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 0.00 562 G 8.31 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 563 F 7.57 5.00 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.39 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.91 0.00 1.98 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 2.23 2.26 0.00 566 V 8.28 4.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.30 0.00 0.00 567 Q 8.54 4.51 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 568 F 8.80 5.13 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 9.31 4.70 0.00 2.63 2.69 0.00 0.00 6.92 7.45 0.00 0.00 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.