NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.3909 8.3444 115.6489 59.0471 30.3486 172.7686 2 S 3.2928 8.1957 124.5853 60.7290 61.4987 169.8911 3 A 3.8961 8.7970 118.6779 54.1637 16.6012 176.9426 4 S 3.7964 8.4227 110.1900 59.1293 61.4783 171.3681 5 S 3.7537 7.5369 106.7534 59.0804 62.4523 172.5476 6 L 3.9201 7.9886 117.4086 53.1011 41.4704 181.9646 7 L 3.2550 8.3682 123.7815 57.1747 45.3556 175.3073 8 D 4.4224 8.1339 120.8842 56.2548 40.6498 178.0618 9 K 3.5746 8.4214 121.7077 59.2811 32.1904 178.6652 10 E 4.1479 7.5592 116.1956 56.7884 29.2720 178.4868 *12 V 4.0931 7.9322 117.3827 62.8100 33.4034 176.8925 13 Y 4.2610 8.3312 117.1891 61.2361 37.4803 178.6143 14 F 4.1862 8.4287 120.2780 61.5002 39.6460 176.5997 15 C 4.2612 8.2881 112.4612 61.3868 29.4157 174.8462 16 H 4.0913 8.8352 121.1139 58.7349 29.2229 176.5025 17 L 3.4110 8.6459 116.7517 55.1012 40.3084 174.1544 18 D 4.1099 7.9580 114.6677 56.0170 39.6103 173.6168 19 I 2.9721 7.7619 120.5065 62.9727 34.7663 174.7258 20 I 2.1384 7.7760 114.6738 61.1467 37.8973 173.0528 21 W 3.8055 6.9835 121.7932 57.0584 30.8005 174.0961 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 C 8.34 4.39 0.00 3.09 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 2 S 8.20 3.29 0.00 4.10 3.90 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 3 A 8.80 3.90 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 4 S 8.42 3.80 0.00 3.95 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 5 S 7.54 3.75 0.00 3.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.99 3.92 0.00 1.89 1.35 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.37 3.25 0.00 1.69 1.55 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.13 4.42 0.00 2.82 2.78 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 9 K 8.42 3.57 0.00 1.61 1.66 0.00 0.77 0.00 0.00 0.70 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.13 0.70 7.81 10 E 7.56 4.15 0.00 2.06 1.86 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 2.32 2.36 0.00 *12 V 7.93 4.09 2.28 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 0.99 0.00 0.00 1.02 0.00 0.00 13 Y 8.33 4.26 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.19 0.00 3.19 3.27 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 0.00 15 C 8.29 4.26 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.84 4.09 0.00 3.41 3.45 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.65 3.41 0.00 1.68 1.76 1.02 1.27 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 18 D 7.96 4.11 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 2.97 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.83 0.00 0.00 20 I 7.78 2.14 1.47 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.72 0.00 0.00 21 W 6.98 3.81 0.00 3.62 3.08 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.