NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9101 8.4545 109.7364 45.4815 0.0000 173.4722 *2 V 4.2934 7.5863 116.1599 59.1112 35.1253 176.3318 *3 I 4.6145 8.2326 122.7693 59.2832 37.7780 173.7095 *4 D 4.7623 8.0384 125.3350 54.9974 47.2028 181.5206 *5 T 4.0295 8.1302 118.3206 66.7207 68.3459 179.0078 *6 S 4.4505 8.1204 120.9713 62.6498 62.2757 177.8845 7 A 4.2619 7.8733 124.7244 56.3739 17.9028 180.6819 *8 V 3.6993 7.6331 119.1382 66.8733 31.5205 180.9561 *9 E 4.2798 8.2049 120.9812 61.5699 29.4206 182.5108 *10 S 4.3636 7.9589 118.8613 63.3644 62.2188 179.1926 11 A 4.2815 8.0845 126.6348 55.5610 17.9834 180.1921 *12 I 3.7177 7.3450 119.6562 66.2787 35.6433 180.5268 *13 T 4.3201 8.6513 118.7924 65.5674 68.9193 178.0293 *14 D 5.3229 8.5922 124.4637 54.1981 40.1620 179.7153 15 G 4.0935 8.2592 114.7306 48.7645 0.0000 174.8633 *16 Q 5.2688 7.1909 134.1165 54.2845 28.4852 172.7628 17 G 3.9980 7.5218 113.7430 44.8750 0.0000 171.6958 *18 D 4.4962 8.7482 122.0554 54.4992 41.7885 173.5466 *19 M 3.2835 8.2512 122.6120 55.1664 30.1804 179.3382 *20 K 4.0532 8.0498 122.8862 60.6601 31.4886 184.1850 21 A 4.2192 7.9552 122.5783 56.0662 18.4861 180.0571 *22 I 3.9736 7.7071 117.8509 64.9399 35.5302 180.5874 23 G 3.9439 8.5340 107.5228 47.7690 0.0000 176.0156 24 G 3.7199 8.1243 110.0687 48.4842 0.0000 176.0781 *25 Y 4.1319 7.8299 125.0574 62.3451 36.6478 181.7360 *26 I 4.0219 7.7848 122.8046 65.8242 35.8286 181.4937 *27 V 4.1081 7.6671 121.6466 65.6690 31.3888 180.4595 28 G 3.8594 7.8569 105.4367 47.8082 0.0000 175.6643 29 A 4.2017 7.9990 125.6062 55.4076 17.9536 180.3436 *30 L 4.1405 7.9131 123.5485 60.3009 40.7036 183.4893 *31 V 4.0173 7.4022 120.2542 66.5992 31.6924 181.3732 *32 I 4.1766 7.8458 122.4940 65.5736 35.2872 181.1758 *33 L 4.2248 7.6870 122.3236 59.3589 40.7653 181.5889 34 A 4.2646 7.8869 122.3149 55.7900 18.1876 180.7164 *35 V 3.6205 7.6721 117.9519 66.1472 31.6029 181.0843 36 A 4.3223 7.9242 121.3491 55.0311 18.2971 179.7216 37 G 3.7730 8.1435 106.2948 48.7474 0.0000 176.1819 *38 L 4.1174 7.9280 126.4256 60.1654 40.7537 183.2604 *39 I 3.9996 8.0804 122.7361 66.2544 35.3220 181.1422 *40 Y 4.3152 7.9792 124.4771 62.4760 36.6475 181.0803 *41 S 4.4577 8.2666 121.6060 64.0921 62.2275 180.2733 *42 M 4.3735 8.2122 124.1618 60.9553 30.7639 184.1062 *43 L 4.3247 8.0751 124.3861 60.1571 41.0660 182.6411 *44 R 4.2387 7.9593 122.0827 59.7231 29.8560 180.3349 *45 K 3.8385 7.8068 117.1790 55.7130 29.3560 179.2074 *46 A 4.1825 7.9372 127.6371 52.9500 18.7921 177.1908 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 G 8.45 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 *2 V 7.59 4.29 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 0.76 0.00 0.00 0.93 0.00 0.00 *3 I 8.23 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.91 0.00 0.00 *4 D 8.04 4.76 0.00 2.54 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 *5 T 8.13 4.03 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 1.21 0.00 0.00 *6 S 8.12 4.45 0.00 3.73 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 7 A 7.87 4.26 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 *8 V 7.63 3.70 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 0.76 0.00 0.00 0.93 0.00 0.00 *9 E 8.20 4.28 0.00 1.92 1.99 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 2.24 2.19 0.00 *10 S 7.96 4.36 0.00 3.75 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 11 A 8.08 4.28 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 *12 I 7.34 3.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.91 0.00 0.00 *13 T 8.65 4.32 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 1.21 0.00 0.00 *14 D 8.59 5.32 0.00 2.67 2.52 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 15 G 8.26 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 *16 Q 7.19 5.27 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.05 1.65 0.00 17 G 7.52 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.50 0.00 2.56 2.52 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 *19 M 8.25 3.28 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.08 0.00 *20 K 8.05 4.05 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.33 7.81 21 A 7.96 4.22 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 *22 I 7.71 3.97 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 0.91 0.00 0.00 23 G 8.53 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 0.00 0.00 0.00 24 G 8.12 3.72 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 *25 Y 7.83 4.13 0.00 2.34 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 0.00 0.00 0.00 0.00 *26 I 7.78 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.91 0.00 0.00 *27 V 7.67 4.11 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 0.73 0.00 0.00 0.93 0.00 0.00 28 G 7.86 3.86 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 0.00 0.00 0.00 29 A 8.00 4.20 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 *30 L 7.91 4.14 0.00 1.61 1.69 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *31 V 7.40 4.02 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 0.90 0.00 0.00 0.93 0.00 0.00 *32 I 7.85 4.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.91 0.00 0.00 *33 L 7.69 4.22 0.00 1.69 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.89 4.26 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 *35 V 7.67 3.62 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 0.79 0.00 0.00 0.93 0.00 0.00 36 A 7.92 4.32 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 37 G 8.14 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 0.00 0.00 0.00 *38 L 7.93 4.12 0.00 1.64 1.71 0.92 1.40 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 *39 I 8.08 4.00 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.91 0.00 0.00 *40 Y 7.98 4.32 0.00 2.35 2.34 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 *41 S 8.27 4.46 0.00 3.74 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 *42 M 8.21 4.37 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 *43 L 8.08 4.32 0.00 1.74 1.62 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *44 R 7.96 4.24 0.00 1.92 1.89 0.00 3.37 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 *45 K 7.81 3.84 0.00 1.95 1.79 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.24 7.81 *46 A 7.94 4.18 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 * Residues marked with a * may have inaccurate shift predictions.