NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7576 8.3549 109.7407 45.3164 0.0000 173.2943 *3 S 4.2310 8.3151 115.1671 58.1047 63.5687 173.4238 4 F 4.9399 8.2744 120.6559 54.7641 39.6607 173.6872 5 C 4.7334 8.0089 117.0244 55.0396 42.5954 172.8226 6 K 4.1938 9.0833 122.5567 55.7472 33.1034 175.3829 7 A 4.7622 7.9653 124.4612 50.1909 20.9436 175.9241 8 D 4.7270 8.1870 119.0302 55.1422 41.9451 176.0791 9 E 4.1543 9.2171 124.1252 57.5613 28.4480 175.6521 10 K 4.1645 6.9110 115.1540 56.1309 33.6779 173.4942 *12 C 4.4444 8.1932 113.9720 55.3786 42.8452 173.5768 13 E 3.9725 8.4083 117.8218 59.4503 30.1439 176.9737 14 Y 5.0364 6.1620 117.6773 57.9760 36.1562 177.7320 15 H 4.7686 9.0425 125.7379 56.5019 31.8390 173.0200 16 A 4.5133 8.0782 119.6316 52.7101 19.5681 177.4549 17 D 4.5693 8.3334 116.4232 57.4429 41.1576 177.9861 18 C 4.6381 7.9003 115.1031 56.2824 41.0533 175.2382 19 C 4.1746 8.7545 119.7924 59.2179 39.2866 173.8681 20 N 4.9103 7.2925 115.1256 53.4805 40.7360 173.4485 21 C 5.3205 8.7905 115.2945 56.1067 45.9181 171.1127 22 C 5.0616 8.5302 115.8919 54.2043 35.8178 173.5601 23 L 4.2511 8.0293 127.5993 54.4329 42.7410 177.8210 24 S 4.0141 8.8270 115.4027 61.7735 62.3129 175.9990 25 G 3.8036 8.2125 107.3813 47.2971 0.0000 172.7908 26 I 4.0396 6.8067 117.4568 60.3093 42.0720 172.5795 27 C 4.7270 8.0418 123.8726 56.4006 45.9234 172.0351 28 A 4.4596 8.9799 128.3868 51.1298 21.8772 177.3038 *30 S 4.3557 8.9217 107.3509 58.8915 64.9424 175.2872 31 T 4.2542 7.7150 118.0774 62.7330 66.4381 172.6964 32 N 5.4431 8.1276 122.6543 50.9814 41.9635 172.7892 33 W 5.0291 7.5607 113.8869 56.5548 30.5457 175.2445 34 I 4.0877 6.6567 112.1232 59.3196 37.7454 175.4614 35 L 4.1604 7.0090 121.7906 52.7776 41.3748 174.5791 36 P 4.5614 0.0000 0.0000 61.4575 32.6348 177.1410 37 G 4.8719 7.9317 118.7673 47.0075 0.0000 173.4761 38 C 4.5202 7.7976 119.9167 55.0959 40.8576 174.1207 39 S 4.5584 8.1570 120.7846 56.3634 62.2285 173.0849 40 T 4.3524 7.5343 112.9373 61.1864 70.4180 175.4796 41 S 4.5010 7.9230 120.5260 56.7158 67.2494 173.7611 42 S 4.2847 8.3427 120.5527 58.1204 63.3284 175.6164 43 F 4.0981 8.6712 123.8683 60.0023 39.2356 174.7076 44 F 4.8316 7.3956 114.6540 56.4588 42.5550 172.7184 45 K 4.5111 8.7176 121.5415 57.1349 34.7284 176.7543 46 I 4.0055 8.2914 119.1516 62.2254 37.1659 175.5735 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 G 8.35 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 S 8.32 4.23 0.00 3.90 3.87 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 4 F 8.27 4.94 0.00 3.16 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 5 C 8.01 4.73 0.00 3.01 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 6 K 9.08 4.19 0.00 1.80 1.73 0.00 1.52 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 7 A 7.97 4.76 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 8 D 8.19 4.73 0.00 2.69 2.77 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 9 E 9.22 4.15 0.00 2.18 2.10 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 2.22 2.24 0.00 10 K 6.91 4.16 0.00 1.89 1.80 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.52 7.81 *12 C 8.19 4.44 0.00 3.22 3.19 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 13 E 8.41 3.97 0.00 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 14 Y 6.16 5.04 0.00 2.88 2.23 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 15 H 9.04 4.77 0.00 3.13 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.08 4.51 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 17 D 8.33 4.57 0.00 2.75 2.78 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 18 C 7.90 4.64 0.00 3.00 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 19 C 8.75 4.17 0.00 2.92 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 20 N 7.29 4.91 0.00 2.71 2.69 0.00 0.00 6.71 8.11 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 21 C 8.79 5.32 0.00 3.00 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 22 C 8.53 5.06 0.00 2.99 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 23 L 8.03 4.25 0.00 1.70 1.58 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.83 4.01 0.00 3.78 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 25 G 8.21 3.80 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 0.00 0.00 0.00 26 I 6.81 4.04 1.86 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 1.31 0.33 0.94 0.00 0.00 27 C 8.04 4.73 0.00 3.12 2.94 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 28 A 8.98 4.46 1.17 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 0.00 0.00 *30 S 8.92 4.36 0.00 4.02 4.07 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 31 T 7.72 4.25 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 1.25 0.00 0.00 32 N 8.13 5.44 0.00 2.68 2.69 0.00 0.00 7.02 7.71 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 33 W 7.56 5.03 0.00 3.54 2.94 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 34 I 6.66 4.09 1.72 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 1.16 0.00 0.00 35 L 7.01 4.16 0.00 1.50 1.46 0.25 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.56 0.00 2.13 1.99 0.00 3.80 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 1.92 1.89 0.00 37 G 7.93 4.87 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 0.00 0.00 0.00 38 C 7.80 4.52 0.00 2.88 2.90 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 39 S 8.16 4.56 0.00 3.87 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 40 T 7.53 4.35 4.18 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 0.00 0.00 0.00 1.16 0.00 0.00 41 S 7.92 4.50 0.00 3.60 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.28 0.00 3.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.67 4.10 0.00 3.14 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 44 F 7.40 4.83 0.00 3.20 2.90 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 45 K 8.72 4.51 0.00 1.91 1.97 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.55 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.46 7.81 46 I 8.29 4.01 1.88 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 1.30 0.84 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.