NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2959 8.3049 120.3492 55.5878 34.2115 176.3506 *530 D 4.6573 8.0807 115.9500 53.8637 42.6584 174.2422 531 P 4.2819 0.0000 0.0000 63.4836 31.4430 176.1205 532 G 3.7998 8.6692 104.8581 46.6726 0.0000 173.8477 533 K 4.2039 7.8599 120.1993 55.1739 33.1216 176.0228 534 K 4.4821 8.2468 121.0340 54.7640 33.9493 177.2699 535 K 4.0370 8.7977 123.4617 56.1119 30.9697 177.2261 536 Q 3.9477 9.5546 133.0149 56.8870 27.5033 172.2568 537 H 4.8228 9.2012 121.5838 55.0344 30.0411 174.5290 538 I 4.7057 8.2206 124.7034 59.1481 38.2587 174.3503 539 C 3.9793 8.8489 127.6509 60.0697 31.4881 173.7121 540 H 4.2773 8.9856 124.4102 58.5326 28.5831 176.8797 541 I 3.6324 7.1965 121.7661 60.8256 37.1391 174.6628 542 Q 4.0901 8.8505 126.5166 58.4986 28.1123 176.5983 543 G 4.7767 8.0403 122.6998 47.2771 0.0000 173.1896 544 C 4.4653 7.3573 119.9332 60.6207 29.2105 173.4932 545 G 4.7218 7.8293 111.9002 46.7073 0.0000 173.0999 546 K 4.2790 7.7968 120.6446 55.5475 35.2088 175.3732 547 V 4.8307 7.2156 116.6130 62.6469 34.3951 173.4326 548 Y 5.2047 8.4854 123.6437 56.5745 41.5520 175.6533 549 G 4.2180 8.6760 109.4545 44.7581 0.0000 173.1765 550 K 4.5838 7.5145 119.8622 53.8358 35.4293 177.1214 551 T 4.1590 8.7627 122.6559 66.7674 68.4000 177.0426 552 S 4.1782 8.1991 116.7607 62.0032 62.7293 176.2549 553 H 4.2920 8.0774 118.3118 58.2873 28.3094 177.4486 554 L 4.1687 8.1893 122.8884 58.0153 42.0241 179.1733 555 R 3.9219 8.0494 115.4118 59.4761 29.2177 178.6452 556 A 4.0001 7.4118 120.0462 54.7499 18.7078 178.7180 557 H 4.6724 8.6103 117.0340 59.1024 30.0598 177.1764 558 L 4.0287 8.8767 123.5441 58.1441 41.7171 179.1267 559 R 4.0187 7.7757 114.5541 59.0999 29.2376 178.3608 560 W 4.5349 7.8861 127.9863 60.5374 30.9659 177.5594 561 H 4.5892 8.1747 116.1777 57.9341 28.3481 174.6372 562 T 4.1587 7.6480 112.8792 64.5580 67.5607 173.6154 563 G 3.9187 8.7885 116.4132 46.0035 0.0000 172.7994 564 E 3.9898 8.2389 122.9740 56.4378 30.0148 176.7849 565 R 4.2078 7.9987 121.2938 56.6455 30.1983 175.7252 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 1 M 8.30 4.30 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 *530 D 8.08 4.66 0.00 2.73 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 P 0.00 4.28 0.00 2.04 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 532 G 8.67 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 533 K 7.86 4.20 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 534 K 8.25 4.48 0.00 1.77 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.51 7.81 535 K 8.80 4.04 0.00 1.73 1.27 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.58 7.81 536 Q 9.55 3.95 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 537 H 9.20 4.82 0.00 3.13 3.31 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 I 8.22 4.71 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.87 0.00 0.00 539 C 8.85 3.98 0.00 3.02 2.87 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 0.00 540 H 8.99 4.28 0.00 3.13 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 541 I 7.20 3.63 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.87 0.00 0.00 542 Q 8.85 4.09 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.27 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 543 G 8.04 4.78 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 0.00 0.00 0.00 544 C 7.36 4.47 0.00 3.11 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 0.00 545 G 7.83 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 K 7.80 4.28 0.00 1.48 1.68 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.02 0.31 7.81 547 V 7.22 4.83 2.01 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 1.04 0.00 0.00 0.86 0.00 0.00 548 Y 8.49 5.20 0.00 3.06 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 0.00 549 G 8.68 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 0.00 0.00 0.00 550 K 7.51 4.58 0.00 1.67 1.55 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 551 T 8.76 4.16 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 552 S 8.20 4.18 0.00 3.86 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 0.00 553 H 8.08 4.29 0.00 3.29 3.11 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 L 8.19 4.17 0.00 1.97 1.74 0.88 0.73 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 0.00 555 R 8.05 3.92 0.00 2.09 2.20 0.00 3.03 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 556 A 7.41 4.00 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 557 H 8.61 4.67 0.00 3.51 3.72 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 L 8.88 4.03 0.00 2.01 1.70 0.93 -0.07 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 0.00 559 R 7.78 4.02 0.00 2.05 2.08 0.00 3.06 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 560 W 7.89 4.53 0.00 3.48 3.14 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 0.00 561 H 8.17 4.59 0.00 3.40 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 T 7.65 4.16 4.27 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 1.28 0.00 0.00 563 G 8.79 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 0.00 564 E 8.24 3.99 0.00 2.09 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 2.23 2.30 0.00 565 R 8.00 4.21 0.00 2.01 1.90 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.