NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4491 8.1127 119.7066 56.5615 32.5739 177.2735 2 M 3.9167 8.1051 116.9342 58.4401 32.2467 177.1272 3 R 3.9697 8.8739 121.6429 61.7757 29.7900 180.1683 4 Q 4.2350 7.9136 117.8633 58.8411 28.7544 178.5780 5 I 3.7075 7.8568 120.9265 64.3334 37.1384 178.2650 6 E 3.9604 8.5531 119.8324 59.6045 29.3296 179.2017 7 D 4.3751 8.0374 118.6437 57.3638 40.7832 178.8610 8 R 3.9267 8.2912 119.4370 59.2847 29.9862 178.4975 9 L 3.9696 8.1884 119.1097 57.7973 41.6132 179.1198 10 E 3.9628 8.2859 119.1971 59.3415 29.5907 178.7461 11 E 4.0103 8.3246 118.6563 59.2754 29.3977 179.3234 12 I 3.6641 8.1210 120.1485 64.4081 37.1700 178.0766 13 L 3.8529 8.1200 120.1921 58.1768 41.5254 179.8253 14 S 4.1915 8.1170 112.5357 61.3176 62.3894 176.0759 15 K 3.9666 8.1715 122.3241 59.4655 31.9409 178.6992 16 L 3.9286 8.1596 119.5851 58.0807 41.5391 179.1591 17 Y 4.1160 8.0138 116.7068 61.3522 37.7844 178.2435 *18 H 4.1866 8.1691 116.7284 58.9392 28.5979 177.8185 19 I 3.7117 7.8498 121.4799 64.6379 36.9534 178.1587 20 C 4.1089 8.4503 117.8817 63.0380 27.9629 176.0561 21 N 4.4207 8.3377 117.9496 56.3781 38.0439 177.4263 22 E 4.0311 8.3245 120.0734 59.1781 29.4482 179.3265 23 L 3.9548 8.2348 119.1062 57.7230 41.7120 179.4090 24 A 3.9702 8.5964 120.9873 55.2066 18.2770 179.6151 25 R 3.9021 8.0514 117.2236 59.4712 30.0847 178.6533 26 I 3.6544 7.9841 119.7937 64.4068 37.1916 177.9859 27 R 3.8682 8.1497 119.5228 59.7871 29.6322 178.5400 28 R 3.9331 8.1723 116.3770 59.3182 30.3543 178.6852 29 L 4.1376 8.1319 118.7561 57.8833 41.6475 179.4986 30 L 4.1101 8.4798 119.4061 57.9139 41.3384 179.9357 31 G 3.6838 7.8076 104.0121 47.2488 0.0000 174.7488 32 E 4.3195 7.6431 117.9699 57.0248 29.8567 176.7752 33 R 4.1312 7.7497 123.5797 56.4099 30.2042 176.1986 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 R 8.11 4.45 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 2 M 8.11 3.92 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.72 0.00 3 R 8.87 3.97 0.00 1.85 1.94 0.00 3.30 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 4 Q 7.91 4.23 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.86 3.71 2.01 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 1.52 0.72 0.91 0.00 0.00 6 E 8.55 3.96 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 7 D 8.04 4.38 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 3.93 0.00 2.00 2.05 0.00 3.20 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 9 L 8.19 3.97 0.00 1.88 1.71 0.92 0.96 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 10 E 8.29 3.96 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 11 E 8.32 4.01 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 12 I 8.12 3.66 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.88 0.00 0.00 13 L 8.12 3.85 0.00 1.91 1.90 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.12 4.19 0.00 4.00 4.09 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 15 K 8.17 3.97 0.00 1.92 1.90 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 16 L 8.16 3.93 0.00 1.67 1.47 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.01 4.12 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.19 0.00 3.23 3.14 0.00 7.18 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.85 3.71 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.90 0.00 0.00 20 C 8.45 4.11 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.34 4.42 0.00 2.90 2.89 0.00 0.00 7.06 6.94 0.00 0.00 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 E 8.32 4.03 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 23 L 8.23 3.95 0.00 1.87 1.72 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.60 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 3.90 0.00 2.00 2.14 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 I 7.98 3.65 2.02 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 1.41 0.49 0.91 0.00 0.00 27 R 8.15 3.87 0.00 1.91 2.20 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 28 R 8.17 3.93 0.00 1.78 1.99 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 29 L 8.13 4.14 0.00 1.81 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.48 4.11 0.00 1.78 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 4.32 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 33 R 7.75 4.13 0.00 2.00 1.84 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.