NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0798 8.3393 109.7364 44.6991 0.0000 175.9709 5 P 4.4639 0.0000 0.0000 61.8589 29.7691 178.2042 *7 G 3.8807 8.6394 105.8247 44.1542 0.0000 173.8421 8 P 4.4110 0.0000 0.0000 62.8467 29.9013 179.6005 *10 G 3.8776 8.8919 103.9395 44.3148 0.0000 173.1211 11 P 4.4641 0.0000 0.0000 62.5320 29.9168 180.2322 *13 G 3.7556 8.8711 114.1100 45.1253 0.0000 170.6100 14 P 4.4262 0.0000 0.0000 61.9038 31.8873 177.0884 15 R 4.0685 8.3180 117.3702 55.6352 30.0735 176.7581 16 G 3.9663 8.5996 111.3784 46.4617 0.0000 176.4251 17 Q 4.2288 8.4891 123.5828 55.0211 26.5188 180.0436 *19 G 3.9712 8.8933 105.6937 46.0432 0.0000 175.2477 20 V 4.2123 7.6579 126.0580 60.8786 30.2752 178.7195 *22 G 3.9678 8.4788 107.3744 45.0181 0.0000 174.2851 23 F 4.4313 8.7188 124.2166 57.4558 37.2814 179.3520 *25 G 3.9258 8.8175 118.5829 45.4544 0.0000 173.4170 26 P 4.6655 0.0000 0.0000 62.0109 30.1901 180.4440 *28 G 3.7490 8.6989 117.9991 44.9654 0.0000 170.5760 29 P 4.3918 0.0000 0.0000 63.1827 30.9791 176.2010 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 4.46 0.00 2.27 1.27 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 8.64 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 8 P 0.00 4.41 0.00 2.19 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 1.98 1.96 0.00 *10 G 8.89 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 11 P 0.00 4.46 0.00 2.05 1.37 0.00 3.71 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 2.02 2.08 0.00 *13 G 8.87 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 14 P 0.00 4.43 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.71 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 8.32 4.07 0.00 1.92 1.93 0.00 3.05 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 1.60 1.63 0.00 16 G 8.60 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 17 Q 8.49 4.23 0.00 2.09 1.28 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 2.28 1.92 0.00 *19 G 8.89 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 20 V 7.66 4.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.99 0.00 0.00 *22 G 8.48 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 23 F 8.72 4.43 0.00 2.92 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 3.93 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 0.00 0.00 0.00 26 P 0.00 4.67 0.00 2.07 1.14 0.00 3.73 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 2.04 2.10 0.00 *28 G 8.70 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.39 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.