NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0774 8.3393 109.7364 44.6019 0.0000 177.1143 5 P 4.4966 0.0000 0.0000 61.4225 30.4129 177.6357 *7 G 3.8344 8.4270 106.8326 44.1077 0.0000 171.9483 8 P 3.9582 0.0000 0.0000 64.1439 29.7526 178.2548 *10 G 3.8666 8.8913 102.9940 43.8990 0.0000 172.6079 11 P 4.1607 0.0000 0.0000 63.5493 29.5772 178.8815 *13 G 3.7270 8.9434 105.9046 44.1390 0.0000 170.4745 14 P 4.4353 0.0000 0.0000 61.9443 31.8535 176.6766 15 R 4.0457 8.2556 120.1948 55.8689 30.5760 176.4430 16 G 4.0120 8.3359 112.7480 45.1811 0.0000 175.8202 17 Q 4.3863 8.1601 124.1067 55.7275 27.2638 179.7276 *19 G 3.8891 8.7270 104.6671 45.2053 0.0000 174.4191 20 V 4.2211 7.8020 119.9066 60.8408 29.8653 180.2692 *22 G 4.0215 8.6548 116.7272 46.0312 0.0000 175.4037 23 F 4.4025 8.8714 122.5899 57.3480 37.7260 179.2523 *25 G 3.9175 8.8323 118.3691 45.2299 0.0000 172.1084 26 P 4.2186 0.0000 0.0000 63.4806 29.5540 179.0506 *28 G 3.8779 8.9870 104.3793 44.1493 0.0000 172.0489 29 P 4.3415 0.0000 0.0000 63.2808 29.6854 176.7289 *31 G 3.7129 9.2334 105.8536 45.5670 0.0000 172.5822 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 4 G 8.34 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 0.00 0.00 0.00 0.00 5 P 0.00 4.50 0.00 2.27 1.30 0.00 3.80 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 2.02 0.00 *7 G 8.43 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 0.00 0.00 0.00 8 P 0.00 3.96 0.00 2.19 1.90 0.00 3.80 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 *10 G 8.89 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 11 P 0.00 4.16 0.00 2.19 1.67 0.00 3.80 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 *13 G 8.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.05 2.00 0.00 3.68 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 2.03 2.07 0.00 15 R 8.26 4.05 0.00 1.77 1.82 0.00 3.24 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 16 G 8.34 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.39 0.00 2.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 *19 G 8.73 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.80 4.22 2.10 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 0.73 0.00 0.00 1.00 0.00 0.00 *22 G 8.65 4.02 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 0.00 0.00 0.00 23 F 8.87 4.40 0.00 2.90 2.32 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 0.00 *25 G 8.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.20 1.66 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 *28 G 8.99 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 0.00 0.00 0.00 29 P 0.00 4.34 0.00 2.19 1.56 0.00 3.80 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 *31 G 9.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.