NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0842 8.0244 121.4476 61.1654 38.2547 174.3487 17 V 3.8057 8.3183 125.8946 62.2567 32.3524 173.9411 18 G 3.8768 9.0648 114.9309 46.4575 0.0000 173.0763 19 G 4.2097 7.8163 110.0556 43.7024 0.0000 172.5962 20 Y 4.8981 7.6336 116.0326 54.8522 41.1359 174.8865 21 T 4.0339 8.4383 117.3651 63.1588 68.9504 174.9435 22 C 4.2305 8.3916 124.2592 59.0919 29.1015 173.4683 23 A 3.8759 8.7687 125.1663 52.3420 18.3212 176.8168 24 A 4.0440 8.6346 125.0374 54.1011 18.4621 177.0901 25 N 4.2844 8.9557 118.7432 53.7436 36.1781 174.7797 26 S 4.2586 7.8168 113.0600 58.6165 64.4776 173.4991 27 I 2.5360 8.1230 118.6770 61.6822 33.6858 173.9085 28 P 4.2570 0.0000 0.0000 65.2662 31.8527 177.2487 29 Y 4.3210 7.0323 116.2995 58.1391 38.6436 174.7263 30 Q 4.5198 7.3048 123.4538 56.2371 29.5888 175.5355 31 V 4.5644 8.7824 118.8352 59.5701 35.8809 174.1687 32 S 4.7109 8.4856 117.2215 56.7154 64.1401 173.1120 33 L 4.3917 8.3767 127.6302 53.5764 43.2735 175.1003 34 N 5.6011 8.4099 121.4252 50.4804 42.0511 173.7692 *37 S 4.8223 7.9140 119.8802 57.5499 62.8434 171.7461 38 G 4.1880 10.5797 110.9119 45.4599 0.0000 171.5360 39 S 4.5838 7.4308 110.9257 57.0408 65.3673 173.5019 40 H 4.4220 8.8612 121.4434 56.8090 29.8826 174.8956 41 F 4.8963 7.9110 118.5024 56.9263 39.6742 173.7539 42 C 4.6442 6.6162 116.4345 55.9608 44.7598 173.6215 43 G 4.2063 8.1159 108.5586 45.7586 0.0000 171.8979 44 G 4.2237 7.7783 105.7950 46.0809 0.0000 172.6240 45 S 5.3633 8.7922 115.1723 56.5324 67.1154 173.6880 46 L 4.7616 8.9461 126.9060 54.3252 41.7331 176.1316 47 I 4.3391 8.6610 120.2362 61.0704 39.3301 174.6521 48 N 5.0289 7.8064 117.4804 51.2215 40.0346 174.9719 49 S 4.2955 8.8202 112.8740 60.8915 62.7072 174.7991 50 Q 4.5810 8.6831 118.3291 55.2302 29.1621 174.6664 51 W 5.1590 8.4301 117.5406 55.9567 33.1945 174.3009 52 V 5.1052 8.8287 124.5755 61.0290 33.3953 174.7308 53 V 4.4754 8.7498 127.5036 60.5158 33.5825 175.1427 54 S 4.2882 8.3305 117.2815 57.5174 64.6351 171.6745 55 A 4.6966 8.4128 120.3073 50.2987 20.8455 178.0517 56 A 4.2367 8.7279 125.7364 55.4833 18.6279 179.1655 57 H 4.5089 8.2043 109.3693 57.8424 28.7445 176.7082 58 C 4.5980 8.4392 117.1966 57.3454 40.4747 173.1435 59 Y 4.2095 7.7384 121.1166 58.2466 38.7333 176.1584 60 K 3.6634 7.3412 126.1685 56.5274 32.4151 175.4009 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 16 I 8.02 4.08 1.82 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 1.27 1.00 0.87 0.00 0.00 17 V 8.32 3.81 2.09 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 0.77 0.00 0.00 0.94 0.00 0.00 18 G 9.06 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 19 G 7.82 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.90 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 21 T 8.44 4.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 22 C 8.39 4.23 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.77 3.88 1.29 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 24 A 8.63 4.04 1.25 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 0.00 0.00 25 N 8.96 4.28 0.00 2.86 2.94 0.00 0.00 7.16 7.53 0.00 0.00 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 S 7.82 4.26 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.12 2.54 1.57 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.33 0.00 0.00 28 P 0.00 4.26 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 29 Y 7.03 4.32 0.00 3.23 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 4.52 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 31 V 8.78 4.56 2.06 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 0.70 0.00 0.00 0.93 0.00 0.00 32 S 8.49 4.71 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.39 0.00 0.57 1.02 0.77 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.41 5.60 0.00 2.72 2.64 0.00 0.00 7.32 7.25 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 *37 S 7.91 4.82 0.00 3.82 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.58 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 0.00 0.00 0.00 0.00 39 S 7.43 4.58 0.00 4.02 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 40 H 8.86 4.42 0.00 3.09 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.91 4.90 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 42 C 6.62 4.64 0.00 2.18 2.73 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 43 G 8.12 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.78 4.22 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 0.00 45 S 8.79 5.36 0.00 3.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.95 4.76 0.00 1.70 1.69 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.66 4.34 1.88 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 1.57 0.88 0.91 0.00 0.00 48 N 7.81 5.03 0.00 3.00 2.99 0.00 0.00 6.13 7.19 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 49 S 8.82 4.30 0.00 4.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.68 4.58 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.49 0.00 0.00 0.00 0.00 0.00 2.28 1.97 0.00 51 W 8.43 5.16 0.00 3.26 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 52 V 8.83 5.11 2.13 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 0.94 0.00 0.00 0.97 0.00 0.00 53 V 8.75 4.48 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 0.77 0.00 0.00 0.95 0.00 0.00 54 S 8.33 4.29 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.41 4.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.73 4.24 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.20 4.51 0.00 3.30 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.44 4.60 0.00 3.17 3.37 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 59 Y 7.74 4.21 0.00 3.07 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 60 K 7.34 3.66 0.00 1.30 1.20 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.90 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.