NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0109 8.3393 109.7364 44.3714 0.0000 175.6613 2 P 4.2883 0.0000 0.0000 61.3431 30.5272 173.9937 *4 G 3.8554 8.2393 107.3694 44.4157 0.0000 173.5769 5 P 4.3614 0.0000 0.0000 62.7680 30.3645 178.3774 *7 G 3.8671 8.5175 106.3530 44.0555 0.0000 171.9507 8 P 4.2662 0.0000 0.0000 63.4447 30.0042 178.8444 *10 G 3.8212 8.8720 106.7701 44.5340 0.0000 170.7775 11 P 4.4502 0.0000 0.0000 62.0041 32.0121 176.5985 12 S 4.1671 8.5115 117.2252 58.4754 63.2360 174.7537 13 G 3.8050 8.4314 113.1237 44.8325 0.0000 170.8664 14 P 4.5734 0.0000 0.0000 61.8112 32.6220 176.7429 15 R 4.0583 8.2241 116.8398 55.9084 29.7473 175.4192 16 G 4.1044 8.2566 108.9944 45.3470 0.0000 174.1304 17 Q 4.5518 7.9150 124.6800 55.4023 26.8549 179.2610 *19 G 3.7093 8.5066 119.1384 46.3524 0.0000 171.3410 20 V 4.0766 7.8843 118.1496 61.1302 32.7238 174.8308 21 M 4.0602 8.4625 123.7598 55.9397 32.4567 175.4630 22 G 4.3196 8.1326 109.7256 43.1395 0.0000 174.3845 23 F 4.1586 8.7614 117.4345 57.1883 38.4009 175.4359 *25 G 3.7555 8.4152 108.3509 44.1457 0.0000 169.7445 26 P 4.5438 0.0000 0.0000 62.1237 32.3079 176.8473 27 K 4.1607 8.3403 120.0613 54.0877 32.1111 175.5299 28 G 3.9668 8.3930 110.9890 44.6235 0.0000 172.5210 29 P 4.5685 0.0000 0.0000 62.4936 31.3267 178.4100 *31 G 3.6463 8.3742 99.1603 44.7507 0.0000 172.1178 32 A 4.1516 8.0792 126.7841 52.5165 18.2702 177.8219 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 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 2 P 0.00 4.29 0.00 2.27 1.99 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 1.99 2.02 0.00 *4 G 8.24 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.36 0.00 2.18 1.48 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 2.00 2.01 0.00 *7 G 8.52 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 8 P 0.00 4.27 0.00 2.19 1.69 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 8.87 3.82 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 0.00 0.00 0.00 11 P 0.00 4.45 0.00 2.05 1.99 0.00 3.69 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 2.02 2.10 0.00 12 S 8.51 4.17 0.00 3.86 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 13 G 8.43 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.57 0.00 2.19 2.08 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 15 R 8.22 4.06 0.00 1.85 1.76 0.00 3.26 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 1.55 1.20 0.00 16 G 8.26 4.10 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 0.00 0.00 0.00 17 Q 7.92 4.55 0.00 2.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 *19 G 8.51 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 20 V 7.88 4.08 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 0.82 0.00 0.00 0.94 0.00 0.00 21 M 8.46 4.06 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 22 G 8.13 4.32 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 0.00 0.00 0.00 23 F 8.76 4.16 0.00 2.93 2.91 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 *25 G 8.42 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.54 0.00 2.21 2.12 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 27 K 8.34 4.16 0.00 1.80 1.64 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 28 G 8.39 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 0.00 0.00 0.00 29 P 0.00 4.57 0.00 2.19 1.96 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 1.97 1.96 0.00 *31 G 8.37 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.08 4.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.