NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4754 8.2931 120.3273 55.5909 33.3163 174.1494 2 G 3.7720 8.3643 106.5242 45.5747 0.0000 172.4987 3 A 4.3705 7.8543 121.0906 52.3112 20.3228 177.0242 4 Q 4.2370 8.9573 118.3550 54.4545 31.4135 174.1446 5 V 3.9804 8.2916 124.9368 62.5551 32.6261 175.0380 6 S 4.6921 8.1422 123.0699 56.9161 67.1609 172.4114 7 T 4.7780 8.1512 116.6531 62.6422 69.5730 175.5292 8 Q 4.6452 8.5046 124.7516 54.9336 30.2416 175.6723 9 K 4.2234 8.6242 121.9314 55.9791 32.9940 176.5212 10 T 3.7905 8.3800 121.5635 64.1230 68.9353 173.7284 11 G 4.0324 8.3503 113.6386 44.2143 0.0000 172.8964 12 A 4.5389 8.3483 120.7552 52.3522 19.0307 177.9049 13 H 4.8279 7.8406 115.8975 57.0195 29.8473 171.3908 14 E 4.7566 7.6987 117.9133 54.9311 33.3514 175.7319 15 T 3.3635 8.2775 113.2433 64.9047 65.9894 173.4234 *24 I 3.9087 7.7179 110.2727 60.5229 40.0676 176.3121 25 I 4.2992 7.3726 123.1951 59.8305 36.4935 173.7864 26 H 5.4218 7.2955 116.0271 54.4384 32.0546 173.7655 27 Y 5.0549 8.4342 117.4516 55.7083 41.5997 174.1637 28 T 4.9137 8.6709 115.8246 62.0477 71.4306 173.5080 29 N 5.1804 8.6151 122.0560 52.3438 43.0621 173.2601 30 I 4.7546 7.9289 124.5253 59.8238 41.2658 174.3073 31 N 4.2068 8.5775 124.5800 52.7648 39.3028 174.6300 32 Y 4.3977 7.6800 119.7151 58.6558 39.2377 175.5229 33 Y 4.7953 7.3288 116.1011 56.4235 39.5836 175.8896 34 K 4.1931 8.7299 121.1459 58.3258 32.8378 177.0351 35 D 4.8692 7.9325 119.0743 52.1624 42.5222 177.3404 36 A 3.9716 8.6106 126.1368 54.8518 18.6311 179.1544 37 A 4.1723 7.8936 117.4100 54.5345 18.6463 178.6318 38 S 4.2858 7.9808 111.4728 60.4815 63.2873 174.7170 39 N 4.5755 7.6290 117.0487 52.8360 38.7815 174.7606 40 S 4.3699 8.2725 114.4463 57.3672 64.0809 173.8068 41 A 4.1177 8.2921 123.7920 52.9319 18.7548 178.0528 42 N 4.7354 8.1981 118.0046 52.3008 37.1772 176.5246 43 R 4.2592 7.6956 114.2744 57.3323 30.7060 177.4544 44 Q 3.7319 7.3971 116.8930 55.2712 29.4349 175.3446 45 D 4.3462 7.5633 118.7907 52.9468 41.3323 176.2326 46 F 5.0135 7.9290 128.6426 56.1789 38.1420 175.5313 47 T 4.7008 7.7529 117.9782 62.2547 70.7215 174.8992 48 Q 4.6375 7.9176 121.4377 55.3044 32.9483 174.5764 49 D 4.6381 8.0877 114.0742 52.1805 42.7991 174.7429 50 P 4.5333 0.0000 0.0000 64.8147 31.8113 178.0823 51 G 3.8702 8.1881 104.7042 48.0794 0.0000 175.2886 52 K 3.6439 7.1396 118.3826 58.8844 32.0144 178.3556 53 F 4.8905 7.4556 115.3689 58.7497 40.2934 177.4855 54 T 4.3495 8.2787 108.7987 62.9102 70.0810 174.8991 55 E 4.8049 7.9861 119.9666 54.8090 30.2356 173.5890 56 P 4.5974 0.0000 0.0000 63.1997 32.1740 177.1262 57 V 4.1425 7.4809 111.2152 61.3142 32.9450 176.6493 58 K 4.0338 8.5737 123.5050 58.3638 32.4102 176.6601 59 D 4.8511 7.7936 118.4440 51.8940 42.1362 175.9907 60 I 3.6102 8.4136 125.0063 62.2442 37.5341 175.1628 61 M 4.5067 8.4661 124.3092 53.4618 33.5034 175.5281 62 I 4.0345 8.2624 125.5095 60.3184 37.8882 176.1668 63 K 3.8507 8.9460 127.8514 60.1096 31.9352 177.6545 64 T 4.1274 7.8906 103.2348 62.5336 68.2888 173.0674 65 M 4.8702 7.9395 121.4459 52.5640 35.5875 173.3749 66 P 4.3837 0.0000 0.0000 62.4221 32.1592 176.5415 67 A 4.1450 8.7502 124.9523 54.4056 18.6182 177.7496 68 L 4.8402 7.2763 113.3561 53.1849 45.1922 176.0152 69 N 4.2610 8.5385 119.3700 54.3854 38.7217 174.0000 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 4.48 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 2 G 8.36 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 3 A 7.85 4.37 1.23 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 0.00 0.00 0.00 4 Q 8.96 4.24 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 5 V 8.29 3.98 1.94 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 0.58 0.00 0.00 0.85 0.00 0.00 6 S 8.14 4.69 0.00 2.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.78 4.29 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 0.00 0.00 1.32 0.00 0.00 8 Q 8.50 4.65 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 9 K 8.62 4.22 0.00 1.78 1.75 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 T 8.38 3.79 4.25 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 0.00 0.00 1.22 0.00 0.00 11 G 8.35 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.35 4.54 1.28 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 0.00 0.00 0.00 13 H 7.84 4.83 0.00 3.09 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.70 4.76 0.00 1.96 1.84 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 2.39 2.27 0.00 15 T 8.28 3.36 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 *24 I 7.72 3.91 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 0.90 0.00 0.00 25 I 7.37 4.30 1.88 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 1.52 1.38 0.94 0.00 0.00 26 H 7.30 5.42 0.00 3.25 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.43 5.05 0.00 3.11 3.10 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 28 T 8.67 4.91 4.32 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 1.23 0.00 0.00 29 N 8.62 5.18 0.00 2.93 2.66 0.00 0.00 7.03 7.77 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 30 I 7.93 4.75 1.79 0.00 0.00 0.90 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 0.69 0.84 0.00 0.00 31 N 8.58 4.21 0.00 2.60 2.72 0.00 0.00 7.03 7.46 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 32 Y 7.68 4.40 0.00 2.11 2.60 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 33 Y 7.33 4.80 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 4.19 0.00 1.81 1.91 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.53 7.81 35 D 7.93 4.87 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 3.97 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 A 7.89 4.17 1.28 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 0.00 0.00 0.00 38 S 7.98 4.29 0.00 4.12 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 39 N 7.63 4.58 0.00 2.80 2.76 0.00 0.00 7.02 8.51 0.00 0.00 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 S 8.27 4.37 0.00 3.97 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 41 A 8.29 4.12 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 0.00 0.00 0.00 0.00 0.00 42 N 8.20 4.74 0.00 2.74 2.71 0.00 0.00 6.86 7.66 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 43 R 7.70 4.26 0.00 1.80 1.99 0.00 3.13 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 44 Q 7.40 3.73 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 45 D 7.56 4.35 0.00 2.46 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 5.01 0.00 3.12 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 47 T 7.75 4.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 Q 7.92 4.64 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.41 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 49 D 8.09 4.64 0.00 2.67 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.22 2.16 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 51 G 8.19 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.14 3.64 0.00 0.79 1.17 0.00 1.22 0.00 0.00 1.44 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.48 7.81 53 F 7.46 4.89 0.00 3.05 3.02 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 0.00 54 T 8.28 4.35 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 1.29 0.00 0.00 55 E 7.99 4.80 0.00 1.92 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 2.23 2.22 0.00 56 P 0.00 4.60 0.00 2.18 2.39 0.00 3.75 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 2.00 2.02 0.00 57 V 7.48 4.14 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 0.70 0.00 0.00 0.99 0.00 0.00 58 K 8.57 4.03 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.79 4.85 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.41 3.61 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 1.41 0.46 0.91 0.00 0.00 61 M 8.47 4.51 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 62 I 8.26 4.03 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 0.73 0.91 0.00 0.00 63 K 8.95 3.85 0.00 1.71 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 64 T 7.89 4.13 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 65 M 7.94 4.87 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 66 P 0.00 4.38 0.00 2.38 2.05 0.00 3.77 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 1.98 1.96 0.00 67 A 8.75 4.14 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 68 L 7.28 4.84 0.00 1.59 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.54 4.26 0.00 2.60 2.60 0.00 0.00 6.91 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.