NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7319 8.4444 117.8668 56.0233 30.4503 174.8047 *4 C 4.6696 8.8558 127.5848 57.5693 44.6110 174.8825 5 C 4.5103 8.1090 115.5350 56.3516 43.0840 172.6310 6 L 4.3751 7.5227 120.5343 55.9901 42.7338 177.0405 7 Y 3.5849 8.8309 118.8039 57.9117 36.1301 170.9305 8 G 3.9002 7.9114 106.0824 45.2200 0.0000 173.1452 9 K 4.4595 7.7117 120.0851 54.1353 34.1657 176.3230 10 C 4.4893 8.7175 126.1244 56.4181 44.3805 172.4262 11 R 4.5374 8.0973 123.8817 54.7736 30.9024 178.0842 12 R 4.5157 8.3856 122.5375 54.7910 28.4378 175.0395 13 Y 4.5320 8.0345 120.8842 57.9055 40.9019 176.9796 *15 G 3.7936 7.8125 108.3132 45.4343 0.0000 173.5073 16 C 4.4002 8.1216 120.7700 59.2787 44.3900 174.9342 17 S 4.1227 7.8961 111.9062 59.9440 62.1938 174.7529 18 S 4.2020 7.9816 114.5736 61.0685 63.0288 174.6938 19 A 4.2138 7.9314 124.1549 52.4456 15.8099 177.5159 20 S 4.2740 8.6525 111.5524 59.8849 62.5299 176.3945 21 C 3.8678 7.4415 120.0809 59.4175 43.6026 174.0648 22 C 4.5937 7.3447 114.5275 56.8565 42.2860 173.5238 23 Q 3.4890 6.5094 120.2261 53.0489 30.2087 177.5323 24 R 4.2131 8.1835 117.7516 56.5817 31.1874 175.2414 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 H 8.44 4.73 0.00 3.41 2.60 0.00 5.72 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 *4 C 8.86 4.67 0.00 3.26 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.11 4.51 0.00 2.99 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 6 L 7.52 4.38 0.00 1.74 1.52 0.68 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.83 3.58 0.00 3.12 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 8 G 7.91 3.90 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 0.00 0.00 0.00 9 K 7.71 4.46 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.37 7.81 10 C 8.72 4.49 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.54 0.00 1.77 1.66 0.00 3.28 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.00 12 R 8.39 4.52 0.00 1.96 2.00 0.00 2.99 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 13 Y 8.03 4.53 0.00 3.03 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 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 16 C 8.12 4.40 0.00 3.23 3.17 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 17 S 7.90 4.12 0.00 3.87 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 18 S 7.98 4.20 0.00 3.90 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 19 A 7.93 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 4.27 0.00 3.85 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 21 C 7.44 3.87 0.00 3.00 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 22 C 7.34 4.59 0.00 3.10 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 23 Q 6.51 3.49 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 24 R 8.18 4.21 0.00 1.74 1.75 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.