NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5997 8.1776 115.5663 57.9563 65.8271 173.1664 2 K 4.5930 7.9110 122.8291 53.1431 33.3702 173.7294 3 Y 4.8423 8.5482 126.4775 55.9774 40.5537 175.4933 4 E 4.9362 8.8829 121.4407 54.6574 33.0898 173.7185 5 Y 5.0496 8.9597 125.2861 55.8662 40.8975 174.9121 6 T 4.8082 8.9753 122.4156 61.9926 68.4740 174.3134 7 V 4.2653 8.7315 125.3349 63.0826 31.9660 176.7421 *9 S 4.5634 7.7298 112.0343 57.8650 64.0733 174.9699 10 Y 3.9094 7.5703 121.8569 56.3756 39.8664 173.3563 11 T 4.2618 7.8383 124.4699 62.6435 69.1926 175.2440 12 F 4.3872 9.1271 128.1350 56.2029 38.7782 174.1570 13 R 4.6747 7.7745 121.6168 54.1137 31.7527 175.7493 14 G 3.9128 7.0578 109.7660 45.0462 0.0000 170.5955 15 P 4.8489 0.0000 0.0000 62.3919 32.8728 173.2914 16 G 3.7374 9.1048 115.5612 45.4447 0.0000 174.2248 17 C 3.9883 8.6458 124.1956 55.7262 39.3255 171.9477 18 P 4.3489 0.0000 0.0000 63.5482 32.0522 175.6870 19 T 4.3213 7.1692 111.1383 59.4332 70.9679 175.3018 20 V 4.2850 7.6520 121.9269 61.3814 31.4317 175.0095 21 K 4.1891 7.4011 120.5019 55.7102 33.4255 176.9473 22 P 4.4351 0.0000 0.0000 61.6595 29.3975 175.6542 *24 I 3.9072 7.3322 119.5131 61.2004 38.7037 176.8588 25 S 4.4905 8.3263 119.7111 56.8988 60.7568 172.4118 26 L 4.4814 7.7836 124.8407 54.0050 43.6517 176.9134 27 R 4.7622 7.9155 122.8470 55.6381 30.6272 176.9541 28 C 4.4142 8.3885 121.1074 59.1562 44.4368 172.7002 29 E 4.2655 7.9280 122.8580 56.2825 29.5930 174.7202 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 S 8.18 4.60 0.00 3.94 4.22 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 0.00 0.00 0.00 0.00 2 K 7.91 4.59 0.00 1.66 1.80 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.45 7.81 3 Y 8.55 4.84 0.00 3.19 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 4 E 8.88 4.94 0.00 2.01 1.85 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 2.30 2.26 0.00 5 Y 8.96 5.05 0.00 3.05 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 6 T 8.98 4.81 4.33 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 1.25 0.00 0.00 7 V 8.73 4.27 2.30 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 1.06 0.00 0.00 1.09 0.00 0.00 *9 S 7.73 4.56 0.00 3.97 3.91 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 10 Y 7.57 3.91 0.00 2.73 2.48 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 11 T 7.84 4.26 4.08 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 1.17 0.00 0.00 12 F 9.13 4.39 0.00 1.80 2.41 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 13 R 7.77 4.67 0.00 1.53 1.68 0.00 3.18 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 14 G 7.06 3.91 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 0.00 0.00 0.00 15 P 0.00 4.85 0.00 2.12 2.06 0.00 3.40 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 16 G 9.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.65 3.99 0.00 2.95 2.99 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 18 P 0.00 4.35 0.00 2.11 2.03 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 19 T 7.17 4.32 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 1.11 0.00 0.00 20 V 7.65 4.28 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 0.81 0.00 0.00 0.84 0.00 0.00 21 K 7.40 4.19 0.00 1.65 1.64 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.28 7.81 22 P 0.00 4.44 0.00 2.01 1.99 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 *24 I 7.33 3.91 1.80 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.35 0.97 0.00 0.00 25 S 8.33 4.49 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.78 4.48 0.00 1.64 1.57 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.92 4.76 0.00 1.78 1.90 0.00 3.22 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 28 C 8.39 4.41 0.00 3.02 3.13 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 0.00 0.00 0.00 29 E 7.93 4.27 0.00 1.92 1.75 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 2.19 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.