NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1479 8.3101 121.7905 56.4758 33.4393 175.7741 3 A 4.3115 7.8419 121.3673 49.5185 20.8688 175.6970 *5 I 3.9450 7.8678 123.3746 60.4489 38.7914 170.9483 6 I 4.4565 7.8873 118.4895 61.1967 35.8588 175.5952 7 R 3.9824 9.5731 131.8452 56.7300 28.7698 172.2551 8 Y 4.4798 7.5425 119.2043 55.8995 39.6442 174.8748 9 F 5.2565 8.9641 123.0968 56.1939 42.8060 173.4709 10 Y 5.3297 9.0212 124.1950 56.0978 42.0549 174.8900 11 N 4.5367 8.6175 123.0072 51.1120 39.9547 174.1287 12 A 3.6272 7.9973 127.7926 54.5628 18.1867 178.5817 13 K 3.5153 7.4329 111.6331 61.0605 32.2949 176.7835 14 D 4.4066 8.0798 123.1135 54.7102 41.9359 176.4643 15 G 3.8447 8.1015 109.0817 45.9311 0.0000 171.7459 16 L 4.6948 6.8193 121.9662 54.1045 46.7417 174.4149 *18 Q 3.8896 8.4930 117.9555 56.0578 30.2511 175.6488 19 T 4.2414 6.5340 118.7380 61.7941 68.6693 173.2513 20 F 5.0798 7.1895 122.0484 57.1686 41.7293 177.5988 21 V 4.9773 7.6767 112.2146 62.3685 34.6754 174.3470 22 Y 4.3457 8.1266 115.8777 58.2503 39.7740 173.5899 23 G 4.5108 8.3328 117.5536 43.8841 0.0000 169.6655 24 G 4.0905 9.0816 111.1479 44.6765 0.0000 172.6134 25 C 4.5112 9.4110 122.3005 59.7340 32.5894 171.6262 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 2 K 8.31 4.15 0.00 1.73 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.45 7.81 3 A 7.84 4.31 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 *5 I 7.87 3.95 1.92 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 1.53 1.38 1.04 0.00 0.00 6 I 7.89 4.46 1.87 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 1.22 0.87 0.94 0.00 0.00 7 R 9.57 3.98 0.00 2.14 1.82 0.00 3.24 0.00 0.00 3.36 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 8 Y 7.54 4.48 0.00 2.62 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.96 5.26 0.00 2.96 2.79 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 10 Y 9.02 5.33 0.00 2.88 2.91 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 11 N 8.62 4.54 0.00 2.61 2.48 0.00 0.00 7.09 7.91 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 12 A 8.00 3.63 1.15 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 0.00 0.00 13 K 7.43 3.52 0.00 1.93 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 D 8.08 4.41 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 6.82 4.69 0.00 1.69 1.50 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *18 Q 8.49 3.89 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.45 0.00 19 T 6.53 4.24 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 20 F 7.19 5.08 0.00 3.02 2.88 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 V 7.68 4.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.99 0.00 0.00 22 Y 8.13 4.35 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.33 4.51 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 0.00 0.00 0.00 24 G 9.08 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 0.00 0.00 0.00 25 C 9.41 4.51 0.00 3.04 2.83 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.