NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4037 8.3649 120.1634 54.2908 41.8802 174.7804 2 C 4.7953 8.0922 114.5537 55.0247 42.0245 171.8660 3 Y 4.8430 9.1793 118.5701 56.5871 42.5601 173.7274 4 C 5.3751 8.9261 121.0062 56.3886 37.6636 173.2315 5 R 5.2862 9.3805 122.8823 54.4624 33.9626 174.7275 6 I 4.9103 8.4488 121.8046 59.1277 39.8737 173.9091 7 P 4.4308 0.0000 0.0000 63.5944 32.1303 175.3188 8 A 4.6099 7.3313 119.7895 50.9509 21.8475 176.5348 9 C 4.4247 8.6401 117.5997 57.1449 37.7098 174.0576 10 I 4.1286 8.4440 116.5001 58.6753 39.2289 174.7123 11 A 4.0252 8.3264 122.8809 54.3451 18.0787 178.0270 12 G 3.9166 9.1093 110.8735 45.3863 0.0000 172.4869 13 E 4.7198 7.5443 119.0507 54.8294 31.9511 175.4590 *16 Y 4.6537 8.2644 115.6500 57.1390 40.5212 177.1588 17 G 4.2936 7.0100 107.0360 46.5549 0.0000 171.8934 18 T 5.4053 8.1721 119.3006 62.5480 73.0788 174.0798 19 C 5.1176 9.5604 120.5096 55.3742 44.5497 173.1434 20 I 4.9626 8.5063 123.4998 59.9280 38.3820 174.7941 21 Y 4.6515 9.1187 128.0217 57.9850 41.7704 175.3699 22 Q 2.8166 9.1817 120.4773 58.5044 27.3867 174.0794 23 G 3.7942 7.7137 116.6031 47.1336 0.0000 170.6935 *25 L 4.4351 7.4313 115.3185 54.7082 43.3573 177.9380 26 W 5.0314 9.4805 123.5945 54.6951 32.8573 174.7486 27 A 4.7785 9.2953 125.5575 51.4068 19.6964 176.4506 28 F 5.0342 9.4954 126.8588 58.0846 40.5848 173.5887 29 C 5.0892 9.0160 124.6598 55.2648 43.3575 174.1164 30 C 4.5328 8.8644 119.8583 57.2063 41.8573 173.8294 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 D 8.36 4.40 0.00 2.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 4.80 0.00 2.43 2.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.18 4.84 0.00 2.78 2.75 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 4 C 8.93 5.38 0.00 2.56 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 5 R 9.38 5.29 0.00 1.85 1.88 0.00 3.22 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 6 I 8.45 4.91 1.51 0.00 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.01 0.71 0.00 0.00 7 P 0.00 4.43 0.00 2.14 2.11 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 8 A 7.33 4.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.64 4.42 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.44 4.13 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.87 0.00 0.00 11 A 8.33 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 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 13 E 7.54 4.72 0.00 2.08 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 2.33 0.00 *16 Y 8.26 4.65 0.00 3.24 3.24 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 0.00 17 G 7.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 5.41 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 19 C 9.56 5.12 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 4.96 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 1.00 0.00 0.00 21 Y 9.12 4.65 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 9.18 2.82 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 1.39 2.25 0.00 23 G 7.71 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.44 0.00 1.55 1.70 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.48 5.03 0.00 3.31 3.24 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 0.00 27 A 9.30 4.78 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.50 5.03 0.00 3.22 3.25 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 29 C 9.02 5.09 0.00 3.01 3.09 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 0.00 0.00 0.00 0.00 30 C 8.86 4.53 0.00 2.73 2.76 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 * Residues marked with a * may have inaccurate shift predictions.