NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1633 8.2644 123.5821 51.4474 19.5290 177.2214 2 R 3.7075 7.7712 121.2950 54.6957 29.9036 173.9874 3 T 4.3334 8.1793 115.2812 60.3446 71.7501 175.0851 4 K 4.3026 8.2447 124.4269 55.4772 30.9102 174.5191 5 Q 4.5976 7.3101 118.9472 54.4538 32.4943 176.1246 6 T 3.7757 8.7152 107.5046 65.0602 68.2511 175.0762 7 A 4.1936 8.1242 124.4337 53.8700 19.2895 177.7904 8 R 4.4050 7.3293 116.8591 53.8211 31.3747 177.1628 9 K 3.7351 8.6522 118.3191 58.6958 29.6055 175.2734 10 S 4.5705 7.7798 112.2063 59.2129 63.9499 175.3729 11 T 4.4720 7.8382 116.3235 63.3896 68.3630 174.9804 12 G 3.9653 7.9441 108.3919 45.1794 0.0000 174.6001 13 G 3.6419 7.6312 109.0114 44.3835 0.0000 172.7213 *15 A 4.0581 8.2015 120.9386 51.1079 19.2864 175.1515 16 P 4.3327 0.0000 0.0000 62.2526 31.9884 177.2775 17 R 4.1390 8.3065 121.9004 56.4563 28.4746 175.4403 18 K 4.5661 8.1779 123.5654 55.7171 34.3504 176.7233 19 Q 4.5452 8.1729 115.5637 55.9638 28.9436 175.6771 20 L 3.9680 7.5517 124.1875 56.2519 42.3506 174.4534 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 8.26 4.16 1.28 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 0.00 0.00 0.00 2 R 7.77 3.71 0.00 1.86 1.93 0.00 3.23 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 3 T 8.18 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 4 K 8.24 4.30 0.00 1.74 1.79 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.42 7.81 5 Q 7.31 4.60 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 6 T 8.72 3.78 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 A 8.12 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 4.41 0.00 1.97 1.56 0.00 3.44 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 9 K 8.65 3.74 0.00 1.87 1.96 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.44 7.81 10 S 7.78 4.57 0.00 3.89 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 11 T 7.84 4.47 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 G 7.94 3.97 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 0.00 0.00 0.00 13 G 7.63 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.20 4.06 1.28 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 0.00 0.00 0.00 16 P 0.00 4.33 0.00 2.05 1.99 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 17 R 8.31 4.14 0.00 1.77 1.88 0.00 3.18 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 18 K 8.18 4.57 0.00 1.76 1.69 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 19 Q 8.17 4.55 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 20 L 7.55 3.97 0.00 1.79 1.68 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.