NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2398 8.4449 118.7979 56.2516 30.8997 174.5095 2 I 4.0493 8.0294 119.7468 58.5599 38.0184 170.6514 3 V 3.8994 9.0915 127.8398 61.8242 32.5527 175.0413 4 K 4.4086 8.5332 127.7351 55.7783 32.9335 176.3973 5 T 4.7298 8.0734 112.3774 59.7142 71.9889 173.0545 6 K 4.3386 8.3338 123.2755 54.7412 33.4546 176.3864 7 R 3.8890 8.5517 124.2273 56.9290 30.3879 176.1249 8 F 3.9405 8.9934 127.2912 61.1658 39.5653 175.3304 9 A 4.3211 7.6642 125.1962 51.5786 16.9614 176.9320 10 I 3.8395 8.0920 122.3534 64.7599 37.6236 177.6537 11 K 4.3001 7.7090 118.0368 54.7677 32.8088 175.0107 12 P 5.2860 0.0000 0.0000 62.1473 32.0740 176.1349 *14 S 4.3708 8.1440 113.8758 58.2271 65.2476 174.5977 15 E 3.8545 8.5683 121.4847 59.5529 29.3021 179.4696 16 E 3.8342 8.0219 118.0947 59.4314 29.5601 178.9125 17 E 3.8001 8.1550 119.0334 58.9539 29.4230 178.5896 18 A 3.5411 7.5509 120.2942 54.9229 18.3264 179.4755 19 V 3.2500 7.1490 115.3851 65.8348 31.7847 177.6654 20 L 3.9588 7.3689 119.5179 57.9126 41.8319 179.7573 21 E 3.9106 7.9081 117.0588 56.5192 29.1975 178.8679 *23 E 4.2417 8.1576 120.0688 56.5144 31.4684 178.4678 24 L 3.9858 8.0339 117.5394 57.5256 41.6740 178.3365 25 L 4.1036 7.8821 116.7334 55.2002 41.8825 177.6477 26 G 3.8248 7.8245 106.3755 46.2120 0.0000 173.1872 27 H 4.7268 7.9592 115.4947 54.3284 30.7542 174.7004 28 N 4.9069 8.4519 116.9057 54.0706 39.6011 174.8651 29 F 5.7471 7.5734 111.1176 55.6833 41.5425 173.9366 30 F 4.7778 9.7672 122.6314 57.1757 42.7980 173.0637 31 V 4.8712 8.1850 126.7876 62.0024 32.5890 174.7459 32 F 4.8942 8.7625 121.3554 55.6710 42.1302 172.9701 33 Q 4.4724 8.7149 121.4748 54.9035 30.2069 174.1517 34 N 4.8465 9.0444 127.7735 53.4901 39.2813 176.1180 35 G 3.7296 9.1397 115.9927 47.7995 0.0000 173.4427 36 D 4.6473 8.6661 119.3765 55.1688 41.0787 177.1640 37 S 4.5724 7.9041 111.0616 56.8570 64.2847 174.2806 38 N 4.8328 8.5274 117.1125 54.2322 36.6681 173.3859 39 E 4.7945 7.3725 116.2052 54.1853 33.6731 175.4416 40 V 4.0675 8.2444 122.4115 63.0448 32.4587 174.7468 41 N 5.1656 8.6189 124.2380 51.3320 43.5820 173.3228 42 V 5.0685 8.5202 118.8000 61.7666 34.7346 174.5344 43 V 5.2163 9.2407 121.5577 60.5155 34.2664 174.5388 44 Y 5.4887 8.6231 120.3521 55.9509 42.0057 173.5565 45 K 4.7209 8.9038 120.3912 55.7742 33.1499 177.0392 46 R 4.5515 8.6671 124.5304 54.5397 32.0431 177.9636 47 K 4.4229 8.7069 118.6521 57.3490 31.4437 177.1044 48 D 4.7893 8.2722 116.5387 52.7410 39.7426 176.4843 49 G 3.8756 8.2590 109.6036 45.8481 0.0000 173.8163 50 N 4.4731 7.5442 116.8893 53.0477 40.3141 173.4623 51 Y 4.9979 8.2661 116.7850 56.3507 40.7550 175.8759 52 G 3.6631 8.5352 109.7857 44.1340 0.0000 172.0838 53 L 5.3267 8.3495 122.6224 53.2797 44.9376 175.4327 54 I 4.6648 9.2914 128.6238 59.8909 37.4537 174.8879 55 E 5.2206 8.6026 124.0829 53.7222 32.9271 174.9828 56 P 4.2166 0.0000 0.0000 64.6069 32.0101 176.0039 57 E 4.0660 7.3960 123.5418 56.7633 29.4203 176.2281 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 E 8.44 4.24 0.00 2.10 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 0.00 2.18 2.35 0.00 2 I 8.03 4.05 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 1.30 0.76 0.92 0.00 0.00 3 V 9.09 3.90 2.10 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 0.82 0.00 0.00 0.94 0.00 0.00 4 K 8.53 4.41 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 T 8.07 4.73 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 1.25 0.00 0.00 6 K 8.33 4.34 0.00 1.74 1.74 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 7 R 8.55 3.89 0.00 1.79 1.84 0.00 3.37 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 8 F 8.99 3.94 0.00 2.97 3.04 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 0.00 0.00 0.00 9 A 7.66 4.32 1.26 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 0.00 0.00 0.00 10 I 8.09 3.84 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.87 0.00 0.00 11 K 7.71 4.30 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 12 P 0.00 5.29 0.00 2.08 2.05 0.00 3.78 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 *14 S 8.14 4.37 0.00 4.21 4.05 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 15 E 8.57 3.85 0.00 2.05 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 0.00 2.60 2.49 0.00 16 E 8.02 3.83 0.00 1.99 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 2.37 2.39 0.00 17 E 8.16 3.80 0.00 1.97 1.93 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 2.20 2.24 0.00 18 A 7.55 3.54 0.24 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 19 V 7.15 3.25 1.80 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 -0.44 0.00 0.00 0.56 0.00 0.00 20 L 7.37 3.96 0.00 1.66 1.62 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.91 3.91 0.00 1.47 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 *23 E 8.16 4.24 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 24 L 8.03 3.99 0.00 1.50 1.67 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.88 4.10 0.00 1.59 1.65 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.82 3.82 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 0.00 0.00 0.00 27 H 7.96 4.73 0.00 3.10 3.26 0.00 5.71 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 28 N 8.45 4.91 0.00 2.95 3.05 0.00 0.00 6.31 8.13 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 29 F 7.57 5.75 0.00 3.13 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 30 F 9.77 4.78 0.00 3.05 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 31 V 8.18 4.87 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 0.84 0.00 0.00 1.11 0.00 0.00 32 F 8.76 4.89 0.00 3.25 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 33 Q 8.71 4.47 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.13 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 34 N 9.04 4.85 0.00 2.62 2.73 0.00 0.00 6.68 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 35 G 9.14 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.67 4.65 0.00 2.87 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 37 S 7.90 4.57 0.00 3.95 4.05 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 38 N 8.53 4.83 0.00 2.89 2.93 0.00 0.00 6.72 7.30 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 39 E 7.37 4.79 0.00 1.62 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 2.42 2.33 0.00 40 V 8.24 4.07 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 0.71 0.00 0.00 0.87 0.00 0.00 41 N 8.62 5.17 0.00 1.54 2.54 0.00 0.00 6.04 7.35 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 42 V 8.52 5.07 2.21 0.00 0.00 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 0.97 0.00 0.00 43 V 9.24 5.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.18 0.00 0.00 44 Y 8.62 5.49 0.00 3.36 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.90 4.72 0.00 1.82 1.84 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.62 7.81 46 R 8.67 4.55 0.00 1.90 1.91 0.00 3.07 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.33 0.00 47 K 8.71 4.42 0.00 1.77 1.84 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.48 7.81 48 D 8.27 4.79 0.00 2.70 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 49 G 8.26 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 50 N 7.54 4.47 0.00 2.84 2.68 0.00 0.00 6.64 7.33 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 51 Y 8.27 5.00 0.00 2.79 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 0.00 52 G 8.54 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 5.33 0.00 1.68 1.60 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 I 9.29 4.66 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.93 0.00 0.00 55 E 8.60 5.22 0.00 1.98 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 0.00 2.27 2.29 0.00 56 P 0.00 4.22 0.00 2.18 2.20 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 57 E 7.40 4.07 0.00 1.96 1.91 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 2.34 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.