NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 483 K 4.2240 8.1685 121.7911 56.3374 32.6215 175.9302 484 A 3.8022 8.3706 130.3501 53.5979 18.9078 177.2199 485 I 3.9794 8.0027 116.0747 62.9288 38.6344 175.9996 486 V 3.8204 7.3853 119.8941 64.7620 32.0626 177.3383 487 Q 3.9825 7.9366 118.8560 59.4017 28.9391 177.8195 488 M 4.0737 8.2997 119.0810 58.4963 32.3071 178.0855 489 A 4.0521 7.5790 120.4589 54.5447 18.4402 179.4451 490 K 3.9034 8.0719 118.7962 59.7591 32.3088 178.9212 491 I 3.7313 7.8359 120.0466 64.4989 37.0049 178.3598 492 L 4.1095 7.9642 119.6003 57.4280 41.4649 179.2157 493 R 3.9308 7.9201 117.7447 59.3537 30.2196 177.7396 494 K 4.1911 8.3466 120.2907 58.7018 32.1623 178.2463 495 E 4.2863 8.3625 119.0901 59.2750 29.3298 178.6472 496 L 4.8489 7.5728 118.1670 54.0150 41.8996 177.1835 497 S 4.7593 8.4631 114.0038 58.4507 64.0085 174.3338 498 E 4.6294 7.4327 118.3467 55.3116 30.6531 174.8618 499 E 4.7619 7.4777 117.9133 55.8257 32.3081 176.3827 500 K 4.2062 8.8073 121.9090 57.7890 32.8580 176.8614 501 E 4.8619 8.0008 117.3506 54.4999 32.6966 175.6485 502 V 4.5135 8.0706 122.2449 61.7533 35.6455 173.2873 503 I 4.6610 8.4156 128.4205 60.3940 38.6365 176.3295 504 F 4.3335 9.1321 129.0060 62.2079 39.2548 177.8486 505 T 3.5404 7.9781 114.3912 66.4212 68.2344 176.2815 506 D 4.2110 7.9910 120.9058 57.4473 40.7487 178.6857 507 V 3.6127 7.7616 116.7031 66.1241 31.4467 177.5797 508 L 4.0102 7.5161 117.7390 57.3910 41.7523 178.6766 509 K 3.9430 7.7086 119.9876 59.3860 33.0855 177.3208 510 S 4.7507 7.5772 112.8800 56.8522 59.3600 174.6790 511 Q 4.5843 6.4332 114.0658 55.9845 33.3454 176.2480 512 A 4.6238 7.7781 127.0327 53.3838 19.7759 178.4305 *521 K 4.3334 8.6681 123.0673 55.7838 34.3225 176.6480 522 R 4.0643 7.8260 117.3934 58.6264 29.9122 177.6846 523 E 4.2227 8.1837 117.5295 58.3638 29.9701 178.1754 524 A 4.0955 7.8333 120.7208 55.2003 18.5469 179.5627 525 S 4.2366 8.0007 112.2615 61.6982 63.1555 176.3944 526 R 4.0673 7.8749 122.2017 59.1829 29.8111 178.7098 527 G 3.8403 8.7317 105.7631 47.7011 0.0000 175.2090 528 F 3.9102 9.0371 123.6927 61.1528 39.3757 176.9897 529 F 3.8512 8.6410 120.1864 61.3050 39.1336 176.5550 530 D 4.3944 8.0704 118.0259 57.5294 40.6727 178.9834 531 I 3.5343 7.5978 119.8753 64.3282 37.1099 178.1464 532 L 3.5837 7.1139 119.5208 57.8673 41.4177 179.6328 533 S 3.6922 7.7460 112.8110 61.2979 62.3304 175.9179 534 L 3.8630 8.0496 121.7316 57.9719 41.2674 179.5340 535 A 4.1792 8.2421 122.0028 54.9664 18.0317 179.8751 536 T 3.7807 7.4424 113.3874 66.7250 68.5694 176.6699 537 E 4.1156 8.0287 119.7137 57.5874 29.4212 178.1361 538 G 3.9582 7.5539 106.3268 45.4115 0.0000 173.8798 539 C 4.3571 8.0669 118.2309 61.0332 29.0553 173.3569 540 I 4.6215 7.5284 118.2155 59.6959 41.9589 173.8776 541 G 4.3398 9.3998 110.9215 43.7336 0.0000 172.4525 542 L 5.5655 8.0994 121.4378 52.9756 45.8152 176.1382 543 S 4.6081 8.0896 112.0129 57.6456 66.5537 173.7270 544 Q 4.8382 8.6035 123.8021 55.1440 31.6152 174.6672 545 T 4.2300 8.8024 122.2405 65.3790 69.5796 174.7866 546 E 4.7579 7.2006 118.5176 54.3978 33.6995 177.4887 547 A 3.0590 7.6875 115.7433 53.3772 19.8276 178.8418 548 F 4.6508 9.0153 118.4319 55.3827 40.0657 175.6884 549 G 4.0860 7.8046 111.8883 44.9253 0.0000 172.6611 550 N 4.6111 8.6127 117.2059 53.0441 39.6455 174.5898 551 I 4.5006 8.2982 122.7133 59.8192 38.8833 174.8784 552 K 4.7140 8.9979 128.6540 55.7546 32.9346 176.1415 553 I 4.8988 9.0560 127.5342 59.6125 38.9189 174.6163 554 D 5.1092 8.7817 126.2711 51.3216 42.4193 175.5024 555 A 4.2713 8.5920 122.1071 51.7119 19.8749 176.5534 556 K 4.7274 8.0486 117.5292 53.5277 35.9813 175.7330 557 P 4.3271 0.0000 0.0000 66.2047 30.9887 178.4605 558 A 4.0535 7.8911 120.1242 54.3643 18.4420 178.1035 559 L 3.7985 7.7096 117.5114 56.8541 42.1482 176.7333 560 F 4.9195 7.3571 117.8992 56.2884 41.6999 175.9130 *561 E 4.1515 8.5618 117.2510 56.3372 30.2201 176.8932 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 483 K 8.17 4.22 0.00 1.82 1.81 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 484 A 8.37 3.80 1.38 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 0.00 0.00 485 I 8.00 3.98 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.91 0.00 0.00 486 V 7.39 3.82 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 1.03 0.00 0.00 0.94 0.00 0.00 487 Q 7.94 3.98 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 488 M 8.30 4.07 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 489 A 7.58 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 490 K 8.07 3.90 0.00 2.00 2.05 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 491 I 7.84 3.73 1.90 0.00 0.00 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 1.54 1.48 0.93 0.00 0.00 492 L 7.96 4.11 0.00 1.75 1.68 0.93 0.84 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 0.00 493 R 7.92 3.93 0.00 1.95 2.11 0.00 3.31 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 494 K 8.35 4.19 0.00 1.92 1.89 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.50 7.81 495 E 8.36 4.29 0.00 2.03 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 0.00 2.36 2.60 0.00 496 L 7.57 4.85 0.00 1.86 1.80 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 497 S 8.46 4.76 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 498 E 7.43 4.63 0.00 1.88 1.93 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 2.23 2.22 0.00 499 E 7.48 4.76 0.00 1.99 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 2.23 2.52 0.00 500 K 8.81 4.21 0.00 1.80 1.86 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 501 E 8.00 4.86 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 502 V 8.07 4.51 2.22 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 0.83 0.00 0.00 0.96 0.00 0.00 503 I 8.42 4.66 2.08 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 1.29 0.77 1.00 0.00 0.00 504 F 9.13 4.33 0.00 3.16 3.16 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 0.00 0.00 0.00 0.00 505 T 7.98 3.54 4.19 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 1.13 0.00 0.00 506 D 7.99 4.21 0.00 2.96 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 0.00 507 V 7.76 3.61 2.25 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 0.93 0.00 0.00 0.99 0.00 0.00 508 L 7.52 4.01 0.00 1.53 1.54 0.55 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 509 K 7.71 3.94 0.00 1.87 2.03 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.46 7.81 510 S 7.58 4.75 0.00 4.11 3.89 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 0.00 0.00 0.00 511 Q 6.43 4.58 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.29 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 512 A 7.78 4.62 1.23 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 0.00 0.00 *521 K 8.67 4.33 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 522 R 7.83 4.06 0.00 1.93 1.92 0.00 3.22 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 523 E 8.18 4.22 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 524 A 7.83 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 S 8.00 4.24 0.00 4.20 4.22 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 0.00 526 R 7.87 4.07 0.00 2.23 2.24 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 527 G 8.73 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 528 F 9.04 3.91 0.00 3.25 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 F 8.64 3.85 0.00 3.23 3.25 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 0.00 530 D 8.07 4.39 0.00 3.09 2.75 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 0.00 531 I 7.60 3.53 1.62 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.72 0.00 0.00 532 L 7.11 3.58 0.00 1.29 1.29 0.43 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 533 S 7.75 3.69 0.00 3.26 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 L 8.05 3.86 0.00 1.79 1.62 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 535 A 8.24 4.18 1.19 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 0.00 0.00 536 T 7.44 3.78 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 1.14 0.00 0.00 537 E 8.03 4.12 0.00 2.03 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 2.30 2.47 0.00 538 G 7.55 3.96 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 0.00 0.00 0.00 539 C 8.07 4.36 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 I 7.53 4.62 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.08 0.84 0.00 0.00 541 G 9.40 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 5.57 0.00 1.41 1.46 0.73 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 543 S 8.09 4.61 0.00 3.88 3.89 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 0.00 0.00 0.00 544 Q 8.60 4.84 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 545 T 8.80 4.23 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 1.22 0.00 0.00 546 E 7.20 4.76 0.00 2.01 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 2.29 2.27 0.00 547 A 7.69 3.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.02 4.65 0.00 3.01 3.09 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 0.00 549 G 7.80 4.09 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 0.00 550 N 8.61 4.61 0.00 2.77 2.81 0.00 0.00 6.67 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 0.00 551 I 8.30 4.50 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.90 0.00 0.00 552 K 9.00 4.71 0.00 1.72 1.92 0.00 1.65 0.00 0.00 1.97 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 553 I 9.06 4.90 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.91 0.00 0.00 554 D 8.78 5.11 0.00 2.70 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 0.00 555 A 8.59 4.27 1.19 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 0.00 0.00 556 K 8.05 4.73 0.00 1.79 1.64 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.44 7.81 557 P 0.00 4.33 0.00 2.26 2.40 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 558 A 7.89 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 3.80 0.00 1.41 0.48 0.54 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 560 F 7.36 4.92 0.00 3.06 2.86 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 0.00 0.00 0.00 *561 E 8.56 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.