NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1160 8.0093 114.2546 60.0943 39.2107 175.3433 3 S 4.1081 8.3329 115.9969 58.5122 64.4271 173.8781 4 N 4.4010 9.0786 122.2898 56.3496 38.8642 178.7791 5 A 4.0202 7.9656 121.8664 55.2166 18.5260 179.7087 6 K 4.0577 8.0682 116.4658 59.4155 32.1020 179.7767 7 I 3.8081 7.8103 119.7735 64.2374 37.0294 178.2568 8 A 4.0309 8.0744 121.7967 55.0626 18.1064 179.7312 9 R 3.8664 7.9020 117.1208 59.4697 30.0900 178.6694 10 I 3.9921 7.8113 121.0496 63.9957 37.1126 178.1661 11 N 4.2974 8.2017 117.1366 56.2462 38.4271 177.3591 12 E 3.9509 8.1594 119.9654 59.5509 29.5202 179.5150 13 L 4.0367 8.2227 118.8586 57.4796 41.6352 179.3583 14 A 3.9280 8.3105 120.9984 55.0386 18.2733 179.5598 15 A 3.9459 8.0303 119.3457 55.2459 18.4740 180.0614 16 K 3.9350 7.9897 116.6657 59.2929 32.0537 179.4714 17 A 3.9602 8.2201 121.3591 55.1717 18.1529 179.6570 18 K 3.8935 7.8639 116.5052 59.3563 32.3571 178.1732 19 A 4.2754 7.9302 118.9346 52.0045 18.5589 177.6888 20 G 3.8443 7.8025 105.0750 46.5936 0.0000 174.9365 21 V 4.2741 7.6357 110.7344 60.3127 32.9359 176.2851 22 I 3.9025 7.6298 121.1883 61.1351 38.5146 176.0815 23 T 4.3917 8.8257 118.5868 60.8237 71.4596 175.8858 24 E 3.9863 8.5265 120.3456 59.5584 29.4308 179.4947 25 E 4.0131 8.0926 118.2959 59.3949 29.6151 179.0391 26 E 4.0470 8.2188 118.6860 59.0782 29.4608 179.4591 27 K 3.9761 8.2621 118.5594 59.3527 32.1248 179.2406 28 A 3.9722 7.9641 120.9828 55.0145 18.3099 179.2428 29 E 3.8648 8.1520 117.8707 59.5261 29.5745 178.8268 30 Q 3.9669 8.6108 119.8825 59.2635 29.0944 178.2568 31 Q 4.0167 8.2747 119.1158 58.9273 28.7874 178.9387 32 K 3.9870 8.1087 119.4312 59.5365 32.0493 179.4634 33 L 4.0826 8.1120 119.2379 57.8754 41.5228 179.8047 34 R 4.0501 8.4764 118.4482 59.1822 29.9020 179.1533 35 Q 4.0797 8.1537 118.1124 58.8818 28.7882 178.3373 36 E 4.0415 8.2999 119.7267 59.3381 29.4418 178.8320 37 Y 3.9005 8.5254 120.1212 60.7730 38.8934 178.0258 38 L 4.1913 8.1476 119.9711 57.5398 41.7752 179.5455 39 K 4.0592 8.2516 119.9562 59.5382 32.1937 179.2673 40 G 3.5955 8.1547 105.6911 47.1531 0.0000 175.5284 41 F 4.0007 7.8024 122.4891 61.1938 39.5593 177.3027 42 R 4.0462 8.1228 116.8048 59.1950 29.8952 178.6744 43 S 4.2316 7.6877 111.7893 61.1978 62.7086 177.5173 44 S 4.7753 7.4624 119.5451 57.7853 62.3685 176.3120 *46 K 4.1326 8.0799 124.3979 56.0284 33.7064 175.7208 47 N 4.6794 7.7812 114.4889 53.1561 37.9724 176.4303 48 T 4.1426 7.5297 108.4570 63.1110 69.8424 175.8424 49 L 4.0092 7.7977 123.4257 57.8717 42.8111 177.8090 50 K 4.3703 7.6912 118.3592 54.6932 30.1701 175.6119 51 S 4.5457 7.1949 111.8807 57.3794 65.7081 174.6006 52 V 3.9148 8.2679 123.0383 61.8517 31.4816 175.9016 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 2 I 8.01 4.12 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.91 0.00 0.00 3 S 8.33 4.11 0.00 4.16 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 9.08 4.40 0.00 2.77 2.93 0.00 0.00 6.75 7.72 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 5 A 7.97 4.02 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 6 K 8.07 4.06 0.00 2.06 1.93 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.50 7.81 7 I 7.81 3.81 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.15 0.97 0.00 0.00 8 A 8.07 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.87 0.00 1.98 2.09 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 10 I 7.81 3.99 2.02 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 1.52 1.52 0.78 0.00 0.00 11 N 8.20 4.30 0.00 2.89 2.85 0.00 0.00 7.08 7.18 0.00 0.00 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 E 8.16 3.95 0.00 2.17 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 2.33 2.66 0.00 13 L 8.22 4.04 0.00 1.80 1.70 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.31 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 3.93 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.68 7.81 17 A 8.22 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 3.89 0.00 1.76 1.98 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 19 A 7.93 4.28 1.36 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 0.00 0.00 20 G 7.80 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 21 V 7.64 4.27 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 0.75 0.00 0.00 0.98 0.00 0.00 22 I 7.63 3.90 1.84 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 1.46 0.89 0.90 0.00 0.00 23 T 8.83 4.39 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 1.27 0.00 0.00 24 E 8.53 3.99 0.00 2.00 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 2.40 2.34 0.00 25 E 8.09 4.01 0.00 1.97 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 2.40 2.34 0.00 26 E 8.22 4.05 0.00 2.18 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 2.32 2.34 0.00 27 K 8.26 3.98 0.00 1.98 1.85 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.68 7.81 28 A 7.96 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.86 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 30 Q 8.61 3.97 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 Q 8.27 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 32 K 8.11 3.99 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 33 L 8.11 4.08 0.00 1.87 1.75 0.93 0.83 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 34 R 8.48 4.05 0.00 1.99 1.98 0.00 3.08 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 35 Q 8.15 4.08 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 36 E 8.30 4.04 0.00 2.26 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 2.35 2.50 0.00 37 Y 8.53 3.90 0.00 3.12 3.11 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 38 L 8.15 4.19 0.00 1.96 1.79 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.25 4.06 0.00 1.97 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 40 G 8.15 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.80 4.00 0.00 2.98 3.24 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 42 R 8.12 4.05 0.00 1.84 2.00 0.00 3.27 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.02 0.00 43 S 7.69 4.23 0.00 3.87 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 44 S 7.46 4.78 0.00 3.69 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 K 8.08 4.13 0.00 1.82 1.97 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.41 7.81 47 N 7.78 4.68 0.00 2.81 2.99 0.00 0.00 6.66 7.15 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 48 T 7.53 4.14 4.18 0.00 0.00 0.00 0.00 0.00 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 49 L 7.80 4.01 0.00 1.59 1.71 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.69 4.37 0.00 1.76 1.76 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.40 7.81 51 S 7.19 4.55 0.00 3.76 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 52 V 8.27 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.