NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5308 8.3193 116.7972 58.2860 64.2432 172.7790 2 K 4.9444 8.4286 123.6416 52.6596 35.2361 173.4812 3 Y 4.6184 9.0142 121.5873 56.8200 40.1618 175.2801 4 E 4.7159 9.0447 124.8530 54.8464 30.7125 173.4796 5 Y 5.0792 8.2997 125.2462 54.9811 39.4002 173.9933 6 T 4.2076 8.2519 116.2185 61.4470 70.1397 175.2276 7 I 4.1116 8.1022 126.1082 61.8251 37.5173 177.0985 *9 S 4.0915 7.8423 114.1608 57.6729 64.4673 173.2761 10 Y 3.8242 7.6628 123.8030 56.5733 37.5188 174.0539 11 T 4.1952 7.3251 123.6743 62.9140 70.0214 174.4936 12 F 4.9129 8.0595 122.9929 55.8503 43.3960 173.8676 13 R 4.6903 8.7870 121.6176 54.6824 32.7058 174.8796 14 G 4.1281 8.6917 111.4743 44.8938 0.0000 171.3519 15 P 4.9662 0.0000 0.0000 62.0245 31.5011 174.8470 16 G 3.8006 7.3332 105.3752 45.3406 0.0000 172.7439 17 C 4.7394 7.7570 119.1127 54.1018 43.8154 171.6730 18 P 4.5755 0.0000 0.0000 61.2701 32.6055 176.7115 19 T 4.1935 8.0680 113.7937 61.8739 67.9911 173.7691 20 L 4.8727 8.0464 126.1613 52.8792 45.8542 175.7569 21 K 4.2393 8.3198 120.6063 54.2535 33.2258 175.4195 22 P 4.3535 0.0000 0.0000 62.5483 29.6725 174.8711 *24 I 3.8821 7.7750 124.8733 62.0107 38.8126 177.0361 25 T 4.2393 8.2954 122.2195 60.8673 65.8781 174.9278 26 V 4.1591 7.4270 121.8227 61.5042 33.1121 177.8242 27 R 4.5365 8.6229 127.0112 54.1046 31.7353 173.2042 28 C 4.6743 8.7120 123.0028 57.4825 41.2565 173.7572 29 E 4.1874 8.4356 122.0035 57.0165 29.6110 174.2983 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 8.32 4.53 0.00 3.87 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 2 K 8.43 4.94 0.00 2.20 1.98 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 Y 9.01 4.62 0.00 3.03 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 4 E 9.04 4.72 0.00 2.13 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 2.22 2.22 0.00 5 Y 8.30 5.08 0.00 3.05 2.84 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 0.00 0.00 0.00 6 T 8.25 4.21 4.15 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 0.00 0.00 1.08 0.00 0.00 7 I 8.10 4.11 1.91 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.97 0.00 0.00 *9 S 7.84 4.09 0.00 3.94 3.98 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 10 Y 7.66 3.82 0.00 2.84 2.56 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 0.00 0.00 0.00 0.00 11 T 7.33 4.20 3.98 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 1.08 0.00 0.00 12 F 8.06 4.91 0.00 2.63 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 13 R 8.79 4.69 0.00 1.68 1.87 0.00 3.22 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 14 G 8.69 4.13 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 0.00 0.00 0.00 15 P 0.00 4.97 0.00 2.15 2.13 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 16 G 7.33 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 17 C 7.76 4.74 0.00 2.78 2.82 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 18 P 0.00 4.58 0.00 2.16 1.92 0.00 3.57 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 19 T 8.07 4.19 4.23 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 1.21 0.00 0.00 20 L 8.05 4.87 0.00 1.67 1.56 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.32 4.24 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.47 7.81 22 P 0.00 4.35 0.00 2.19 2.12 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 *24 I 7.78 3.88 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 1.16 0.00 0.00 25 T 8.30 4.24 4.26 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 1.21 0.00 0.00 26 V 7.43 4.16 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 0.82 0.00 0.00 1.09 0.00 0.00 27 R 8.62 4.54 0.00 1.88 1.87 0.00 3.11 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 28 C 8.71 4.67 0.00 2.92 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 29 E 8.44 4.19 0.00 2.10 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 0.00 2.23 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.