NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A D 4.5928 8.2076 120.1921 53.8834 43.2836 175.4730 1 C 4.1436 7.8840 113.3246 59.0867 29.9528 172.2493 2 G 3.8444 9.6038 110.0258 45.9000 0.0000 174.3179 3 L 4.6313 7.3529 118.8600 52.6927 43.0510 176.4450 4 R 4.4109 9.1304 124.1609 54.7065 31.0485 176.3459 5 P 4.2308 0.0000 0.0000 65.2756 31.4564 177.3040 6 L 4.2176 7.7974 114.9183 54.7251 41.7267 176.1371 7 F 4.5035 6.9478 114.9587 58.3636 42.5591 176.6666 8 E 4.0527 8.4545 120.0989 59.8129 29.9795 179.7272 9 K 4.1515 8.2284 116.6294 58.2115 32.1311 177.6710 10 K 4.4465 8.2795 116.4180 55.1332 33.2048 175.8932 11 S 3.7823 7.8949 113.8802 59.8109 60.7575 172.0179 12 L 4.8164 7.7517 117.6101 53.0845 44.0612 176.2065 13 E 4.8803 8.5049 120.8849 54.6875 30.2911 175.8864 14 D 4.5752 8.9534 124.5820 53.0794 40.3040 178.3273 14A K 4.1676 8.4596 120.9220 56.8898 31.8932 177.6596 14B T 4.6503 7.5397 105.0960 60.8891 69.9300 175.5525 14C E 3.9955 8.5857 124.8184 60.1640 29.2333 179.6850 14D R 3.8680 8.0136 121.4824 61.4865 29.0981 182.2941 14E E 4.0459 7.6700 118.6435 59.0773 29.8028 178.8227 14F L 3.7933 7.6228 118.8147 57.7323 41.7629 179.2194 14G L 3.5828 7.5670 118.1843 57.9787 41.3852 179.3093 14H E 4.0821 8.1732 117.0441 58.2667 29.4393 178.5368 14I S 4.5401 7.7117 113.5682 58.8989 64.7063 174.6037 14J Y 4.5404 7.1718 123.5032 56.1448 36.2031 176.1657 *14K I 3.5369 8.1439 120.5035 59.7977 35.4796 173.4981 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 1A D 8.21 4.59 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.88 4.14 0.00 3.21 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 2 G 9.60 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 0.00 0.00 0.00 3 L 7.35 4.63 0.00 1.76 1.63 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.13 4.41 0.00 2.15 2.02 0.00 3.24 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 5 P 0.00 4.23 0.00 2.03 2.12 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 6 L 7.80 4.22 0.00 1.40 1.23 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 F 6.95 4.50 0.00 3.10 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 8 E 8.45 4.05 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 9 K 8.23 4.15 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.57 7.81 10 K 8.28 4.45 0.00 1.66 1.72 0.00 2.05 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.31 7.81 11 S 7.89 3.78 0.00 4.03 3.95 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 12 L 7.75 4.82 0.00 1.50 1.56 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.50 4.88 0.00 2.01 1.89 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 2.28 2.32 0.00 14 D 8.95 4.58 0.00 2.45 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.46 4.17 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.00 7.81 14B T 7.54 4.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14C E 8.59 4.00 0.00 2.17 2.24 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 2.47 2.29 0.00 14D R 8.01 3.87 0.00 1.84 2.00 0.00 3.26 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 14E E 7.67 4.05 0.00 1.86 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 14F L 7.62 3.79 0.00 1.87 1.36 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.57 3.58 0.00 1.53 1.67 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.17 4.08 0.00 1.83 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 2.30 2.54 0.00 14I S 7.71 4.54 0.00 3.97 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 14J Y 7.17 4.54 0.00 3.06 2.87 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 *14K I 8.14 3.54 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 1.27 0.46 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.