NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4943 8.3349 115.3049 57.9221 63.7407 173.4040 8 D 4.7021 8.5586 127.4526 52.8758 42.0165 174.3680 9 F 5.3625 8.2764 115.2872 55.6856 41.8717 173.1086 10 V 4.4928 9.0822 119.7014 61.0987 34.6733 174.1514 11 V 4.9109 8.7219 127.4943 61.3035 33.8355 174.2262 12 I 4.9600 9.1790 128.6006 59.3588 40.5447 174.1582 13 K 5.0323 9.3338 128.6428 54.2806 34.7502 174.9480 14 A 4.4542 8.8322 129.9118 52.1287 19.2428 177.5149 15 L 4.6826 8.8137 121.8345 54.5509 42.6885 175.7256 16 E 4.6456 7.6501 115.7679 55.0623 32.3629 174.1653 17 D 4.4958 8.3649 119.0109 55.4781 41.3854 177.0380 18 G 3.8763 8.0570 108.7858 45.5398 0.0000 173.8232 19 V 3.9400 7.5316 119.5583 62.9835 32.8023 174.5794 20 N 5.4043 9.0823 124.2748 51.4011 41.8831 173.4288 21 V 4.6361 8.7749 123.6860 61.1850 34.0246 174.2007 22 I 4.7695 8.8414 129.1432 59.3444 40.3180 174.7348 23 G 4.1719 8.5994 114.2832 44.9760 0.0000 172.4075 24 L 5.5281 8.6929 125.1351 52.8327 44.2867 176.2359 25 T 4.5796 8.5998 114.0955 61.7442 69.4910 174.2001 26 R 4.2836 7.7466 125.6623 56.1670 30.9455 175.6908 27 G 3.8410 8.8011 110.6737 43.6575 0.0000 172.9543 28 A 4.0885 8.5025 121.9626 54.4651 18.5712 177.8439 29 D 4.9011 7.7937 113.9556 53.2103 42.7732 175.9291 30 T 4.8060 8.2570 117.7579 61.9573 71.4655 173.3704 31 R 4.6837 8.8390 122.1204 54.3758 33.7959 174.2273 32 F 5.2316 8.5640 119.2423 58.1685 38.7935 175.1954 33 H 4.8850 8.9196 119.3356 56.7440 30.1348 174.6701 34 H 4.7800 7.6405 116.8005 55.1508 33.2171 172.0953 35 S 4.9495 8.3359 118.9399 56.4315 64.8804 172.2450 36 E 4.5379 9.0459 128.9898 54.3912 31.3699 174.4732 37 K 4.8389 8.5888 128.2849 55.6240 33.8523 175.4923 38 L 5.0205 8.8014 126.4735 53.1343 45.0705 176.1235 39 D 4.9633 9.5083 124.0010 52.6023 43.0678 175.8286 40 K 3.8179 8.7114 121.2732 58.7443 32.1767 177.0606 41 G 3.9942 9.0822 115.4701 45.1539 0.0000 173.2173 42 E 4.3086 8.1246 119.8951 56.0770 30.8963 175.8533 43 V 4.9538 8.3116 122.2162 60.9927 34.3995 174.2380 44 L 4.7159 9.3168 129.4099 53.2997 44.7978 174.8709 45 I 4.9850 8.5453 126.8735 59.7746 38.7724 174.6323 46 A 4.7507 9.1209 129.7622 50.0179 21.7106 175.3701 47 Q 4.8049 8.5983 120.7738 55.1344 30.3253 175.7932 48 F 4.5807 8.6405 120.9980 57.8082 38.5524 175.0947 49 T 4.7553 8.9435 111.7380 59.7775 72.0607 174.1128 50 E 4.1695 8.9300 121.3705 59.1232 29.6352 177.0072 51 H 4.6734 7.8481 113.8307 55.8632 30.1777 174.0010 52 T 5.1810 8.0910 116.9083 61.9633 70.8446 174.4046 53 S 5.0372 9.1002 119.9276 58.1168 65.0657 173.5359 54 A 5.0472 7.9762 121.6407 50.8662 22.7872 174.9851 55 I 4.9168 8.4856 120.1710 59.3951 40.8211 174.6531 56 K 4.5580 9.0982 128.6056 54.4740 34.6692 174.7376 57 V 4.8435 8.3364 126.2667 61.1107 34.0396 174.4891 58 R 4.5129 8.8436 126.8551 55.2254 32.7732 175.3944 59 G 4.1474 9.0617 109.8484 43.5615 0.0000 172.8485 60 K 4.2379 9.2054 121.1280 56.3001 33.0732 175.6559 61 A 5.1072 8.5008 127.7820 50.7755 23.3190 173.5603 62 Y 5.0152 9.3498 122.1722 56.2266 40.7909 174.4770 63 I 4.9322 8.3335 127.4733 59.5055 40.6447 174.4404 64 Q 4.8434 8.9427 125.9908 55.9181 32.0385 173.5485 65 T 4.3648 8.9546 109.6517 62.9526 69.7916 175.2567 *67 H 4.7244 9.6587 120.1580 54.2010 32.2767 172.6317 68 G 3.7388 6.7863 105.6259 44.0979 0.0000 172.0961 69 V 4.8187 8.1482 121.4571 60.8968 34.3869 176.4805 70 I 4.4971 8.5332 120.2628 59.1569 40.2811 173.4592 71 E 5.0454 8.7369 128.1790 54.1026 31.3902 175.6442 72 S 4.4265 8.6591 122.1593 58.8870 62.5243 174.1463 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 7 S 8.33 4.49 0.00 3.91 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 8 D 8.56 4.70 0.00 2.86 2.82 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 0.00 0.00 0.00 9 F 8.28 5.36 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.08 4.49 1.95 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 0.86 0.00 0.00 0.83 0.00 0.00 11 V 8.72 4.91 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 1.12 0.00 0.00 1.17 0.00 0.00 12 I 9.18 4.96 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 0.91 0.00 0.00 13 K 9.33 5.03 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.38 7.81 14 A 8.83 4.45 1.34 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 15 L 8.81 4.68 0.00 1.66 1.72 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.65 0.00 2.03 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 2.19 2.33 0.00 17 D 8.36 4.50 0.00 2.69 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 18 G 8.06 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 19 V 7.53 3.94 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 1.05 0.00 0.00 0.96 0.00 0.00 20 N 9.08 5.40 0.00 2.66 2.58 0.00 0.00 6.32 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.77 4.64 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.84 4.77 1.40 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.33 0.08 0.00 0.00 23 G 8.60 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.69 5.53 0.00 1.86 1.69 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.60 4.58 4.31 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 1.37 0.00 0.00 26 R 7.75 4.28 0.00 1.92 1.99 0.00 3.23 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.80 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 28 A 8.50 4.09 1.30 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 0.00 0.00 0.00 29 D 7.79 4.90 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.26 4.81 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 1.29 0.00 0.00 31 R 8.84 4.68 0.00 1.79 1.94 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 32 F 8.56 5.23 0.00 2.90 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 33 H 8.92 4.89 0.00 3.16 3.50 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 34 H 7.64 4.78 0.00 3.31 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.34 4.95 0.00 3.77 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.05 4.54 0.00 2.12 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 2.23 2.27 0.00 37 K 8.59 4.84 0.00 1.78 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 8.80 5.02 0.00 1.57 1.51 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.51 4.96 0.00 2.56 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 40 K 8.71 3.82 0.00 1.83 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 41 G 9.08 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 0.00 0.00 0.00 42 E 8.12 4.31 0.00 2.02 1.87 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 2.32 2.41 0.00 43 V 8.31 4.95 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.32 4.72 0.00 1.72 1.46 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.55 4.98 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.80 0.00 0.00 46 A 9.12 4.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.60 4.80 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 48 F 8.64 4.58 0.00 3.03 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 49 T 8.94 4.76 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 1.27 0.00 0.00 50 E 8.93 4.17 0.00 1.94 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 2.06 2.28 0.00 51 H 7.85 4.67 0.00 3.34 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.09 5.18 4.33 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 1.30 0.00 0.00 53 S 9.10 5.04 0.00 3.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.98 5.05 1.30 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 0.00 0.00 0.00 55 I 8.49 4.92 1.81 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.81 0.00 0.00 56 K 9.10 4.56 0.00 1.64 1.37 0.00 1.52 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.30 7.81 57 V 8.34 4.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.89 0.00 0.00 58 R 8.84 4.51 0.00 1.73 1.77 0.00 3.11 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 59 G 9.06 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.21 4.24 0.00 1.86 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.50 5.11 1.24 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 0.00 0.00 62 Y 9.35 5.02 0.00 3.04 2.83 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 63 I 8.33 4.93 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.82 0.00 0.00 64 Q 8.94 4.84 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 1.96 2.25 0.00 65 T 8.95 4.36 4.10 0.00 0.00 0.00 0.00 0.00 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 *67 H 9.66 4.72 0.00 3.14 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.79 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.15 4.82 2.06 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 0.57 0.00 0.00 0.89 0.00 0.00 70 I 8.53 4.50 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.05 0.88 0.00 0.00 71 E 8.74 5.05 0.00 2.25 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 2.28 2.49 0.00 72 S 8.66 4.43 0.00 4.05 3.78 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 * Residues marked with a * may have inaccurate shift predictions.