NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4043 8.2893 120.3509 55.3786 33.3684 174.3351 2 E 4.6154 8.5328 122.7631 54.3850 32.6744 173.3858 3 Q 4.6698 9.2994 119.7465 54.7980 31.7354 176.4418 4 R 5.0051 8.3748 121.7670 55.1843 32.8888 174.0780 5 I 4.9453 8.7319 126.7947 59.3091 41.6483 175.6276 6 T 3.7631 8.3166 114.6615 61.1073 69.6914 175.2410 7 L 3.9114 8.5448 125.2872 58.1084 42.0023 179.3723 8 K 3.9325 7.9069 119.1938 59.7687 32.2148 178.3848 9 D 4.4319 8.7932 119.3484 57.0294 40.6161 178.1852 10 Y 4.0792 8.1373 120.1412 60.8138 38.6760 177.9547 11 A 3.9532 8.4002 123.0639 54.6420 18.1886 179.1348 12 M 4.2259 7.7557 116.1088 59.0299 32.4041 178.2425 13 R 3.7344 7.6462 117.1656 58.4412 30.3248 177.3942 14 F 4.6202 8.8488 115.5631 55.6474 40.9800 176.8737 15 G 4.2002 8.7549 104.8277 45.8285 0.0000 174.4837 16 Q 4.0472 8.8240 119.3908 59.4005 28.7333 179.1561 17 T 4.2661 8.0837 109.8586 65.1843 68.1825 175.7653 18 K 3.9178 8.0332 122.3130 58.9225 32.1397 178.4710 19 T 4.4973 8.0034 115.6188 67.1417 68.4129 176.2328 20 A 4.1118 9.1525 123.2114 54.8914 18.2769 179.6389 21 K 3.8806 8.5263 118.5369 59.9677 32.2320 178.9553 22 D 4.3895 9.0657 118.3343 56.4594 40.7805 177.7500 23 L 4.4955 7.6392 117.3883 53.3249 42.4488 176.3003 24 G 3.8047 8.3079 107.2842 46.9034 0.0000 173.4414 25 V 4.3604 7.8067 112.2139 59.1143 35.8277 174.7733 26 Y 4.8006 7.9929 117.4799 57.5297 38.9004 176.7222 27 Q 4.0474 9.0088 124.7863 59.4732 29.0469 178.9196 28 S 4.1343 8.2462 114.5290 61.4346 62.7984 176.1763 29 A 3.9982 8.1449 124.1770 55.0226 18.1545 179.6363 30 I 3.5767 7.6428 117.5690 64.5229 37.2371 177.6046 31 N 4.1552 8.6446 118.1627 57.0862 38.6774 176.9298 32 K 3.8823 8.6146 119.5027 59.1932 32.0891 179.0521 33 A 4.0158 7.9496 121.1358 55.4239 18.1782 179.8581 34 I 3.7387 7.8402 117.9940 64.8498 37.1026 178.3468 35 H 3.8471 8.3038 115.7425 58.3467 28.5770 176.6854 36 A 4.4381 8.3481 120.6773 51.0343 19.2418 176.8994 37 G 3.8574 8.7241 106.0224 46.4361 0.0000 174.6748 38 R 4.0817 8.2338 118.1560 55.5806 31.2431 179.1123 39 K 4.4081 8.8456 122.5523 56.1573 30.4832 174.6496 40 I 5.1212 7.7523 123.5721 59.2087 40.7909 174.1363 41 F 5.0623 9.3521 124.6513 55.6273 42.4608 174.0653 42 L 4.9325 9.4833 124.0833 53.5038 43.9747 175.4706 43 T 4.7143 8.5071 120.8209 62.0118 70.4668 173.5973 44 I 4.7172 8.7472 128.0946 59.6310 39.4593 175.5218 45 N 4.8947 9.1044 124.8857 51.9046 40.0103 176.3111 46 A 4.1172 8.6809 123.6404 55.7984 18.3243 178.9208 47 D 4.5820 8.3080 112.4424 53.1419 39.2286 176.6436 48 G 4.3042 8.7261 107.7777 46.7693 0.0000 174.0983 49 S 4.7048 7.3148 113.3394 57.0041 65.3621 172.9581 50 V 4.9057 8.2380 120.4681 61.2691 34.0448 174.0675 51 Y 5.0839 8.4966 124.6339 55.1003 41.4815 174.1245 52 A 5.3576 8.6987 121.1787 50.4946 22.1694 175.2871 53 E 4.8075 9.1714 118.7124 54.7855 34.6843 173.8768 54 E 5.0183 8.8363 123.2332 54.8858 30.9948 175.0869 55 V 4.7001 8.5837 127.1455 61.0279 33.8647 174.7354 56 K 4.7498 8.4019 124.3271 54.6193 35.7697 173.9727 57 P 4.7205 0.0000 0.0000 61.9601 32.4001 175.6562 58 F 4.6698 8.2940 121.3111 55.8307 42.2291 172.7339 59 P 3.1619 0.0000 0.0000 61.4238 32.8383 177.6230 60 S 4.3568 7.8805 120.8462 58.8291 62.7407 174.6699 *61 N 4.5254 8.6645 116.0465 52.5243 38.0464 171.3782 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 8.29 4.40 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 E 8.53 4.62 0.00 2.21 1.92 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 2.15 2.34 0.00 3 Q 9.30 4.67 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 4 R 8.37 5.01 0.00 1.74 1.77 0.00 3.08 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 5 I 8.73 4.95 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 1.04 0.00 0.00 6 T 8.32 3.76 3.97 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 0.00 0.00 0.94 0.00 0.00 7 L 8.54 3.91 0.00 1.67 1.62 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.91 3.93 0.00 1.85 1.74 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.54 7.81 9 D 8.79 4.43 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 4.08 0.00 3.30 3.18 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 0.00 11 A 8.40 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.76 4.23 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 13 R 7.65 3.73 0.00 1.56 1.79 0.00 2.96 0.00 0.00 2.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 14 F 8.85 4.62 0.00 2.78 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 15 G 8.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.05 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 17 T 8.08 4.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 K 8.03 3.92 0.00 1.91 1.94 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.84 1.54 7.81 19 T 8.00 4.50 4.54 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 0.00 0.00 0.00 1.30 0.00 0.00 20 A 9.15 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 3.88 0.00 1.83 2.05 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.64 7.81 22 D 9.07 4.39 0.00 2.59 2.68 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 0.00 0.00 0.00 0.00 23 L 7.64 4.50 0.00 1.66 1.66 0.83 0.85 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 24 G 8.31 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 25 V 7.81 4.36 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 0.69 0.00 0.00 0.93 0.00 0.00 26 Y 7.99 4.80 0.00 3.01 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 27 Q 9.01 4.05 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 28 S 8.25 4.13 0.00 4.11 4.12 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 0.00 0.00 0.00 0.00 29 A 8.14 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.58 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.94 0.00 0.00 31 N 8.64 4.16 0.00 3.03 2.92 0.00 0.00 7.33 7.23 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 32 K 8.61 3.88 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.60 7.81 33 A 7.95 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.84 3.74 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.96 0.00 0.00 35 H 8.30 3.85 0.00 3.26 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.35 4.44 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 37 G 8.72 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 38 R 8.23 4.08 0.00 1.80 1.89 0.00 3.19 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 39 K 8.85 4.41 0.00 1.84 1.94 0.00 1.52 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.67 7.81 40 I 7.75 5.12 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.96 0.00 0.00 41 F 9.35 5.06 0.00 3.00 2.95 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 0.00 0.00 0.00 0.00 42 L 9.48 4.93 0.00 1.39 1.22 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.51 4.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 44 I 8.75 4.72 1.89 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.92 0.00 0.00 45 N 9.10 4.89 0.00 2.81 2.87 0.00 0.00 6.41 8.24 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 46 A 8.68 4.12 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 47 D 8.31 4.58 0.00 2.85 2.91 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 48 G 8.73 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 0.00 0.00 0.00 0.00 49 S 7.31 4.70 0.00 3.84 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 50 V 8.24 4.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.87 0.00 0.00 51 Y 8.50 5.08 0.00 3.02 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 52 A 8.70 5.36 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.17 4.81 0.00 1.99 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 2.48 2.47 0.00 54 E 8.84 5.02 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 55 V 8.58 4.70 2.22 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 0.83 0.00 0.00 0.79 0.00 0.00 56 K 8.40 4.75 0.00 1.89 1.75 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.49 7.81 57 P 0.00 4.72 0.00 2.08 2.04 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 58 F 8.29 4.67 0.00 3.02 2.97 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 0.00 0.00 0.00 59 P 0.00 3.16 0.00 1.81 1.27 0.00 3.66 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 60 S 7.88 4.36 0.00 3.97 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 *61 N 8.66 4.53 0.00 2.51 2.67 0.00 0.00 6.35 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 * Residues marked with a * may have inaccurate shift predictions.