NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3054 8.3149 120.1346 56.5319 33.5326 174.5870 3 T 4.5030 8.2499 117.8144 60.0249 70.5158 172.6469 4 I 4.7338 8.8242 118.9462 59.1052 41.7577 173.8443 5 E 4.7372 8.6077 120.9086 54.9288 31.2566 176.0692 6 V 4.6058 7.9962 114.9851 58.4328 35.9923 175.7701 7 D 4.5759 8.4946 122.4491 53.2779 41.3485 176.9896 8 D 4.4314 8.7624 121.3795 57.9388 40.8619 178.9929 9 E 3.9957 8.2514 118.8824 59.3593 29.6727 178.5064 10 L 4.0687 9.4426 121.5159 58.0888 42.0425 178.2322 11 Y 3.9508 8.2641 119.5883 60.9084 38.7542 178.3127 12 S 4.2607 8.4310 116.0454 61.7559 62.7094 175.9747 13 Y 4.1724 7.8963 121.2068 60.8484 38.7384 178.1752 14 I 3.6451 7.9690 120.3022 64.2365 37.2634 178.0495 15 A 3.8381 7.9714 122.2028 55.2520 17.9990 179.5920 16 S 4.2181 7.9858 110.4205 60.6692 63.0089 174.5771 17 H 4.4593 7.7041 119.0929 55.7483 28.7158 175.4422 18 T 4.0634 7.6631 117.7335 63.9723 68.5721 174.1446 19 K 4.3095 9.6334 124.7684 56.3474 34.6411 175.8348 20 H 4.7401 8.0710 115.3458 53.3807 30.3791 172.9313 21 I 3.7433 8.4120 125.2707 63.3845 37.1588 176.7167 22 G 3.9437 8.9932 113.1039 45.1667 0.0000 173.1882 23 E 4.1712 7.7749 117.6068 55.5825 30.5446 177.4116 24 S 4.4145 8.2708 114.9549 57.8122 65.4473 175.0397 25 A 3.9613 8.3870 123.7341 55.2391 17.9666 180.1735 26 S 4.0014 7.9361 113.3241 61.9093 62.7679 176.4032 27 D 4.3040 7.5419 120.3718 57.3056 40.7787 178.8191 28 I 3.8151 7.5532 119.6856 64.4743 36.9878 178.4677 29 L 3.9764 7.9754 118.7582 57.9818 41.3624 179.6730 30 R 4.0385 8.3004 118.2576 58.6642 29.6535 177.6735 31 R 4.0324 7.3286 117.0814 56.9786 30.8867 177.1649 *33 L 4.3203 7.9252 118.7288 52.6157 43.6044 178.0046 34 K 4.0555 7.7582 116.1423 55.5358 31.4176 176.1654 35 F 4.0621 7.8672 124.0606 58.4678 40.2719 174.8624 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 4.31 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 3 T 8.25 4.50 4.25 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 1.23 0.00 0.00 4 I 8.82 4.73 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.93 0.00 0.00 5 E 8.61 4.74 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 6 V 8.00 4.61 2.17 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 0.82 0.00 0.00 1.12 0.00 0.00 7 D 8.49 4.58 0.00 2.96 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 8 D 8.76 4.43 0.00 2.72 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 E 8.25 4.00 0.00 2.05 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 0.00 2.40 2.40 0.00 10 L 9.44 4.07 0.00 1.83 1.95 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.26 3.95 0.00 3.12 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 12 S 8.43 4.26 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 4.17 0.00 3.05 3.26 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 14 I 7.97 3.65 1.81 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 1.43 0.70 0.76 0.00 0.00 15 A 7.97 3.84 1.24 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 0.00 0.00 0.00 16 S 7.99 4.22 0.00 3.95 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.70 4.46 0.00 3.15 3.25 0.00 5.86 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.66 4.06 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 1.27 0.00 0.00 19 K 9.63 4.31 0.00 1.51 1.62 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.44 7.81 20 H 8.07 4.74 0.00 3.26 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.41 3.74 1.87 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 1.34 0.45 0.91 0.00 0.00 22 G 8.99 3.94 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 0.00 0.00 0.00 23 E 7.77 4.17 0.00 2.10 2.07 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 2.36 2.22 0.00 24 S 8.27 4.41 0.00 4.05 4.02 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 25 A 8.39 3.96 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 26 S 7.94 4.00 0.00 3.82 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 27 D 7.54 4.30 0.00 2.72 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 28 I 7.55 3.82 1.92 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 1.61 1.37 0.89 0.00 0.00 29 L 7.98 3.98 0.00 1.60 1.71 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.30 4.04 0.00 1.80 1.83 0.00 3.02 0.00 0.00 2.81 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 31 R 7.33 4.03 0.00 1.92 2.05 0.00 3.28 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 *33 L 7.93 4.32 0.00 1.81 1.86 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.76 4.06 0.00 1.88 2.24 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.40 7.81 35 F 7.87 4.06 0.00 3.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.