NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4240 8.0276 122.7536 54.9228 43.7986 175.3419 10 L 4.9485 8.4295 125.4080 54.5972 42.4046 173.8460 11 L 5.0060 8.3976 120.1208 53.7840 47.2728 175.0426 12 E 4.7653 8.1743 115.7583 56.1020 32.9631 174.2261 13 C 5.6057 8.7748 116.1132 57.7705 31.8710 173.3483 14 T 4.4790 8.3783 119.2994 59.6310 68.5782 175.9875 15 E 3.6902 8.1411 127.8868 56.7934 28.8146 177.1502 16 C 3.8542 8.9358 105.7613 61.4133 27.6975 172.6670 17 K 4.2341 10.3900 124.4015 56.0152 29.6246 177.2184 18 R 4.4103 7.0738 114.9952 55.8893 33.2718 172.9404 19 R 3.8609 9.0129 116.5996 56.4287 27.7591 179.0739 20 N 3.8226 9.3921 113.7132 55.0996 39.5187 170.4511 21 Y 5.3184 7.9798 114.4692 58.6887 41.7461 173.9007 22 A 4.3783 8.5501 121.8693 53.5780 21.3511 172.9332 23 T 4.1817 8.6027 112.5188 61.2696 70.5726 170.5009 24 E 4.5201 7.9051 126.8362 55.9507 35.2760 173.9343 25 K 5.3453 7.7801 120.7365 58.3547 35.8160 175.9204 26 N 4.8103 8.8466 122.5001 51.3777 41.0180 174.7509 27 K 4.3925 8.1029 117.3447 58.8556 32.1456 181.5799 28 R 3.1772 7.6866 115.3647 57.1560 34.3398 178.0509 29 N 4.0554 8.8312 112.9801 56.2395 37.9247 177.2025 30 T 3.6182 9.6698 114.5046 62.9441 69.1607 172.4267 31 P 3.8406 0.0000 0.0000 60.6536 30.2025 174.4388 32 N 4.8779 8.5298 119.5313 52.5888 42.0584 172.8607 33 K 4.2748 9.5837 118.9447 55.9267 31.5666 175.3574 34 L 3.6446 8.5349 117.9193 55.6889 39.0453 175.5250 35 E 4.3568 8.2850 120.5371 56.0343 29.0320 174.9551 36 L 5.1227 8.1479 125.0281 53.9159 43.7913 175.4266 37 R 4.6752 8.7568 119.7523 55.3883 33.9074 173.4666 38 K 5.1349 8.4197 122.9824 54.4269 33.5543 174.5581 39 Y 4.9907 8.5494 126.6092 56.8330 42.3208 173.1448 40 C 4.2105 7.6820 124.5566 57.5129 33.4864 171.5459 41 P 5.0909 0.0000 0.0000 61.8599 30.3070 176.5047 42 W 5.4495 8.7020 122.1776 57.8912 32.6952 175.5538 43 C 4.4015 7.5023 116.4738 59.8179 30.0988 175.1693 44 R 3.8342 8.4454 128.8866 56.1963 28.2224 179.8233 45 K 4.4656 8.6300 119.5034 56.0977 35.7879 174.4693 46 H 4.3913 8.8768 118.3050 56.2590 30.5569 172.4660 47 T 4.1614 8.9753 117.4399 63.8435 68.4844 175.7086 48 V 3.9086 8.1633 130.3338 60.4699 33.5328 176.2331 49 H 5.1549 8.2310 114.8598 56.9447 28.0361 175.0583 50 R 4.9459 8.2594 122.7073 53.7683 34.1568 178.3243 51 E 4.5797 7.7548 119.5141 54.7419 28.5821 176.8063 52 V 3.1004 8.9135 132.9999 62.5958 31.3896 171.9066 *53 K 4.1330 8.5754 127.2548 54.8596 32.2491 172.0271 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 9 L 8.03 4.42 0.00 1.71 1.59 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.43 4.95 0.00 1.74 1.72 0.90 0.28 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 11 L 8.40 5.01 0.00 1.53 1.58 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.17 4.77 0.00 2.36 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 0.00 2.22 2.37 0.00 13 C 8.77 5.61 0.00 2.85 2.94 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 14 T 8.38 4.48 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 1.15 0.00 0.00 15 E 8.14 3.69 0.00 2.00 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 2.25 2.25 0.00 16 C 8.94 3.85 0.00 3.17 3.05 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 0.00 0.00 0.00 0.00 17 K 10.39 4.23 0.00 1.85 2.21 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.31 7.81 18 R 7.07 4.41 0.00 1.86 1.79 0.00 3.16 0.00 0.00 3.25 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.94 0.00 19 R 9.01 3.86 0.00 2.03 1.66 0.00 3.14 0.00 0.00 3.30 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 20 N 9.39 3.82 0.00 2.88 2.73 0.00 0.00 6.71 7.56 0.00 0.00 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 Y 7.98 5.32 0.00 2.98 2.76 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 22 A 8.55 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.60 4.18 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 1.32 0.00 0.00 24 E 7.91 4.52 0.00 1.82 1.73 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 2.18 2.15 0.00 25 K 7.78 5.35 0.00 1.61 1.75 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.19 7.81 26 N 8.85 4.81 0.00 2.62 2.80 0.00 0.00 6.95 7.61 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 27 K 8.10 4.39 0.00 1.70 1.77 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.32 7.81 28 R 7.69 3.18 0.00 1.84 1.91 0.00 3.27 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 29 N 8.83 4.06 0.00 2.81 2.49 0.00 0.00 6.86 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 30 T 9.67 3.62 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 31 P 0.00 3.84 0.00 2.10 2.09 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 8.53 4.88 0.00 2.60 2.77 0.00 0.00 7.46 6.68 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 33 K 9.58 4.27 0.00 1.85 2.07 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.24 7.81 34 L 8.53 3.64 0.00 1.74 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.29 4.36 0.00 2.23 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 2.46 2.31 0.00 36 L 8.15 5.12 0.00 1.84 1.59 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.76 4.68 0.00 1.79 1.81 0.00 3.29 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 38 K 8.42 5.13 0.00 1.85 1.75 0.00 1.70 0.00 0.00 2.30 0.00 0.00 2.60 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.50 7.81 39 Y 8.55 4.99 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.68 4.21 0.00 2.44 2.36 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 41 P 0.00 5.09 0.00 2.40 1.93 0.00 3.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 42 W 8.70 5.45 0.00 3.14 3.05 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 0.00 0.00 0.00 0.00 43 C 7.50 4.40 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 44 R 8.45 3.83 0.00 1.95 1.20 0.00 3.27 0.00 0.00 3.18 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 45 K 8.63 4.47 0.00 1.70 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.34 7.81 46 H 8.88 4.39 0.00 3.26 3.50 0.00 5.48 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.98 4.16 4.23 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 1.22 0.00 0.00 48 V 8.16 3.91 2.12 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 0.76 0.00 0.00 0.96 0.00 0.00 49 H 8.23 5.15 0.00 3.63 3.81 0.00 6.05 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.26 4.95 0.00 1.82 1.86 0.00 3.30 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 51 E 7.75 4.58 0.00 2.13 1.25 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 2.33 2.41 0.00 52 V 8.91 3.10 2.19 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 0.96 0.00 0.00 0.97 0.00 0.00 *53 K 8.58 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.