NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3495 8.2531 123.6117 51.7465 19.9473 175.8549 2 G 3.7255 8.3822 107.1679 44.4387 0.0000 169.6322 3 C 4.8123 8.9271 114.3505 54.4379 45.3374 171.5086 4 I 4.6225 7.9277 119.7329 59.4459 39.7562 175.7591 5 K 4.0517 8.8567 126.7401 59.5244 32.9352 177.1058 6 N 4.7548 7.9919 116.0845 50.8739 37.7376 175.0498 7 G 3.7213 7.5556 108.6998 45.6320 0.0000 172.0526 8 G 4.1587 8.3526 107.6166 44.9217 0.0000 172.2036 9 R 5.1021 8.4053 121.4194 54.5508 32.1765 173.8669 10 C 5.0030 9.4523 119.9024 54.4102 45.8482 172.8953 11 N 5.3705 8.3999 115.2357 52.1279 40.6507 175.4799 12 A 4.1555 10.0443 128.4629 53.4725 18.8319 178.3314 13 S 4.4608 7.8954 108.7359 58.6734 63.9851 174.3054 14 A 4.6395 7.4857 123.6361 51.7989 19.2445 175.2278 15 G 3.5506 8.3149 109.0649 46.3577 0.0000 170.3013 16 P 4.3000 0.0000 0.0000 62.3638 30.8832 175.1173 17 P 4.4853 0.0000 0.0000 62.6944 32.0894 175.4551 18 Y 4.5611 6.9369 114.5093 55.6474 40.4820 175.1593 19 C 4.5607 8.6486 120.8520 55.6862 42.3441 173.9707 20 C 4.4205 8.6844 119.5560 59.2990 41.7300 174.1202 21 S 4.6812 7.7715 114.6757 58.1526 63.3810 175.5342 22 S 4.1136 8.5700 113.1492 58.6481 61.5560 169.1464 23 Y 4.7096 7.4630 120.4575 57.0468 41.3029 173.8588 24 C 4.9752 7.4745 124.4703 55.6449 44.9788 172.7101 25 F 4.4986 10.6043 130.4455 56.8074 40.1780 174.1033 26 Q 5.3037 8.3641 126.8446 53.0119 31.9976 173.9976 27 I 4.3335 7.3563 116.4200 58.8254 41.0643 175.6706 28 A 4.2574 8.4224 126.2980 51.1929 16.6880 176.1905 29 G 4.3290 7.6320 109.8708 46.0607 0.0000 171.8638 30 Q 4.4382 8.2591 118.2922 54.1610 30.3990 175.3324 31 S 3.7061 8.2304 110.8695 59.0149 60.0554 170.1839 32 Y 4.9306 7.0953 118.8298 55.3709 41.8940 176.1403 33 G 4.4231 9.1799 108.8614 44.5889 0.0000 171.5792 34 V 5.1096 9.3325 115.5723 59.5538 34.9815 174.7452 35 C 5.0227 9.9517 122.4995 56.4283 42.1568 173.1458 36 K 5.1589 8.1319 118.6348 56.1430 35.9204 174.5817 37 N 4.7825 8.3045 119.6850 53.1591 40.2736 176.3471 *38 R 4.0934 8.3778 116.9398 57.2282 30.2062 171.0263 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 A 8.25 4.35 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.93 4.81 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 4.62 1.94 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 1.31 0.68 0.94 0.00 0.00 5 K 8.86 4.05 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.49 7.81 6 N 7.99 4.75 0.00 2.73 2.77 0.00 0.00 7.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.56 3.72 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 0.00 0.00 0.00 8 G 8.35 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 5.10 0.00 1.81 1.81 0.00 3.46 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 10 C 9.45 5.00 0.00 2.87 3.07 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 11 N 8.40 5.37 0.00 2.67 2.73 0.00 0.00 6.70 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 10.04 4.16 1.17 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 0.00 0.00 0.00 0.00 0.00 13 S 7.90 4.46 0.00 3.96 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 14 A 7.49 4.64 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 15 G 8.31 3.55 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 0.00 0.00 0.00 16 P 0.00 4.30 0.00 2.17 2.14 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 17 P 0.00 4.49 0.00 2.35 2.14 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 18 Y 6.94 4.56 0.00 3.10 2.94 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 0.00 0.00 0.00 0.00 19 C 8.65 4.56 0.00 3.02 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 20 C 8.68 4.42 0.00 3.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.77 4.68 0.00 3.97 3.91 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 22 S 8.57 4.11 0.00 4.08 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 23 Y 7.46 4.71 0.00 3.30 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 7.47 4.98 0.00 2.91 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 25 F 10.60 4.50 0.00 3.40 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 5.30 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 27 I 7.36 4.33 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 1.12 0.82 0.00 0.00 28 A 8.42 4.26 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 29 G 7.63 4.33 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 0.00 30 Q 8.26 4.44 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 31 S 8.23 3.71 0.00 4.03 3.96 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 0.00 0.00 0.00 32 Y 7.10 4.93 0.00 3.03 2.99 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 0.00 0.00 0.00 33 G 9.18 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 9.33 5.11 2.19 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 1.06 0.00 0.00 1.20 0.00 0.00 35 C 9.95 5.02 0.00 2.93 3.12 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 0.00 0.00 0.00 36 K 8.13 5.16 0.00 1.79 1.48 0.00 1.70 0.00 0.00 0.61 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.20 7.81 37 N 8.30 4.78 0.00 2.60 2.76 0.00 0.00 7.12 7.65 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 *38 R 8.38 4.09 0.00 1.68 1.79 0.00 3.40 0.00 0.00 3.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.