NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2879 8.4444 120.2263 55.5867 32.1434 175.1737 2 L 4.2213 7.6664 122.3896 54.3600 42.9130 171.8722 3 V 4.3305 8.9402 124.9812 61.6239 35.5579 173.1992 4 M 4.7927 8.7432 128.2943 54.4026 33.3825 175.7606 5 T 4.5867 8.7028 120.9289 61.9110 71.3054 173.8224 6 Q 5.3286 8.4371 124.9595 54.6925 31.3679 175.2593 7 T 4.5120 7.8331 114.1001 62.3650 72.9838 172.1138 8 P 4.7059 0.0000 0.0000 61.8048 32.6796 175.9546 9 L 4.1117 8.2968 119.6905 56.9644 42.2260 176.1829 10 S 4.6804 7.5756 110.4419 56.4209 65.5798 173.1349 11 L 4.1334 8.0945 125.2453 53.9163 43.0017 172.9404 12 P 4.6614 0.0000 0.0000 61.4006 31.6774 176.0171 13 V 4.5195 8.0594 116.1775 59.3728 35.1350 175.4371 14 S 4.4714 8.3475 118.6485 56.9442 63.8545 173.4564 15 L 3.9378 8.4912 125.9189 57.3210 41.8572 176.4987 16 G 4.0449 8.9931 114.2807 45.7268 0.0000 173.2530 17 D 4.6333 8.0757 118.5662 53.7875 42.1209 174.6515 18 Q 4.6131 8.4576 119.6261 54.6298 31.1854 174.9490 19 A 4.8184 8.4079 126.5086 50.2776 21.6901 175.4600 20 S 4.7592 8.4242 115.0035 56.4700 65.5691 173.3341 21 I 4.7437 8.1222 125.7912 59.6941 41.3151 174.5511 22 S 4.8829 8.6641 118.9699 56.9061 66.4358 172.6771 23 C 5.0055 8.6838 122.0764 55.2457 46.6813 172.9749 24 R 4.8108 8.7792 126.6027 54.4576 31.8553 176.7097 25 S 4.9715 8.6278 119.1322 57.5323 64.4997 174.3360 26 S 4.5299 8.3817 114.5609 60.5834 64.0494 173.9651 27 Q 4.5910 7.6558 116.0326 54.7646 31.3604 173.3697 *271 S 4.2562 8.2513 112.2575 58.3706 63.0483 173.1613 272 I 4.3720 8.1175 118.7815 60.5592 37.6833 176.2471 273 V 3.7287 7.3693 122.2980 62.5425 29.9059 173.8574 274 H 3.8412 9.2403 127.1499 56.9880 29.1739 175.1859 275 S 4.1400 7.5907 119.9414 57.6232 64.1512 173.0544 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 4.29 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 2 L 7.67 4.22 0.00 1.66 1.60 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.94 4.33 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 0.96 0.00 0.00 0.96 0.00 0.00 4 M 8.74 4.79 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 5 T 8.70 4.59 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 6 Q 8.44 5.33 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 7 T 7.83 4.51 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 8 P 0.00 4.71 0.00 2.36 2.07 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 9 L 8.30 4.11 0.00 1.63 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.58 4.68 0.00 3.81 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 11 L 8.09 4.13 0.00 1.58 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.66 0.00 2.07 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 13 V 8.06 4.52 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 0.75 0.00 0.00 0.93 0.00 0.00 14 S 8.35 4.47 0.00 4.09 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 15 L 8.49 3.94 0.00 1.59 1.64 0.92 1.17 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 16 G 8.99 4.04 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 0.00 0.00 0.00 17 D 8.08 4.63 0.00 2.73 2.66 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 18 Q 8.46 4.61 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 19 A 8.41 4.82 1.21 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 0.00 0.00 20 S 8.42 4.76 0.00 3.78 3.68 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 21 I 8.12 4.74 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 0.78 0.96 0.00 0.00 22 S 8.66 4.88 0.00 3.75 3.71 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 23 C 8.68 5.01 0.00 2.92 2.93 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 0.00 0.00 0.00 24 R 8.78 4.81 0.00 1.77 1.81 0.00 3.33 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 25 S 8.63 4.97 0.00 3.87 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 26 S 8.38 4.53 0.00 4.06 4.34 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.66 4.59 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.67 0.00 *271 S 8.25 4.26 0.00 3.88 3.84 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 0.00 272 I 8.12 4.37 1.88 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 0.85 0.96 0.00 0.00 273 V 7.37 3.73 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00 274 H 9.24 3.84 0.00 3.17 3.26 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 S 7.59 4.14 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.