NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9602 8.2127 109.7402 45.2673 0.0000 176.7078 3 S 4.2592 9.0703 122.0307 59.8807 62.1406 172.4843 4 L 3.9151 8.1495 123.1435 58.1956 42.3432 178.4282 5 R 3.8698 7.9203 118.0321 59.5047 30.1183 178.0217 6 D 4.5428 8.6139 119.1867 57.4742 40.7923 178.8285 7 L 4.0514 8.5941 119.8708 57.8153 41.6702 179.5857 8 Q 3.9669 8.1246 118.1699 59.0476 28.6531 178.3429 9 Y 4.1244 7.9229 117.2580 60.9526 37.8995 178.2028 10 A 4.0488 8.3193 121.8437 55.2208 18.3897 179.4705 11 L 3.9291 8.1559 118.7795 58.3212 42.1569 179.1387 12 Q 4.0130 8.0586 117.8802 59.1020 28.5751 178.7925 13 E 4.0220 8.2239 119.4091 59.3394 29.5018 179.5668 14 K 3.9907 8.1229 118.5911 59.5258 32.1249 179.4738 15 I 3.7261 8.1474 120.5180 64.3364 36.9824 178.1529 16 E 3.9859 8.2134 120.2517 59.2225 29.4753 178.6887 17 E 3.9828 8.5489 119.1314 59.2036 29.4054 179.1053 18 L 3.9475 8.1026 120.4791 58.1026 42.1725 178.8964 19 R 3.8829 8.0724 118.6756 59.6034 29.9799 178.5636 20 Q 3.9967 8.1043 117.7950 58.9423 28.7333 178.8003 21 R 3.9402 8.0188 119.0979 59.5188 30.1214 178.9386 22 D 4.3728 8.5200 118.7437 57.2020 40.8947 178.7148 23 A 4.0190 8.2328 121.5395 54.9210 18.3460 179.4400 24 L 3.9343 8.0943 118.9885 58.3074 42.1425 179.3145 25 I 3.7203 7.9111 119.8054 64.3947 37.0298 177.9613 26 D 4.5189 8.0780 119.7922 57.5016 40.6733 178.6842 27 E 3.9191 8.0565 119.1407 59.3463 29.6782 178.8821 28 L 4.0326 8.0978 119.0449 57.6385 41.5933 179.4184 29 E 3.9564 8.1914 118.7012 59.3783 29.4234 179.1229 30 L 3.9834 7.8473 118.9839 58.1125 41.6934 179.6153 31 E 4.0027 8.2772 118.3030 59.1671 29.4047 179.2552 32 L 3.9750 8.0734 119.1462 57.9818 41.8493 179.2617 33 D 4.3750 8.0337 118.5946 57.6873 40.8677 179.0561 34 Q 4.0583 8.1142 118.3862 58.8397 28.6284 178.9848 35 K 4.0674 8.1596 119.6713 59.3341 31.9430 179.1453 36 D 4.4139 7.9262 118.9968 57.3840 40.4904 178.5787 37 E 3.9883 7.8151 117.8289 59.1469 29.4507 178.8482 38 L 4.1426 7.5839 119.6956 58.0100 42.5217 178.5841 39 I 3.9032 8.2004 120.3073 64.1437 37.0320 178.7272 40 Q 4.1183 8.3388 119.8315 56.2682 28.8237 177.9493 *42 L 4.3011 7.9216 119.6017 54.4823 43.8425 179.4305 43 Q 4.0074 8.1284 117.4315 58.9346 28.4234 178.5592 44 N 4.3353 8.3114 117.6436 56.2851 38.0532 177.0490 45 E 4.0366 8.1730 120.2405 59.3573 29.5969 178.7393 46 L 4.1976 8.0514 118.3909 57.8053 41.7025 178.8866 47 D 4.5981 8.3429 121.0980 57.7460 40.7636 179.1715 48 K 4.1424 7.6571 123.4075 59.5496 32.3333 180.4887 49 Y 4.4591 7.7133 116.7466 57.1660 37.1956 177.7814 50 R 4.4378 7.2598 114.0340 56.1369 32.5776 175.6150 51 S 4.4005 8.5109 117.8724 58.3796 63.2181 174.4740 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 G 8.21 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.26 0.00 3.99 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 4 L 8.15 3.92 0.00 1.79 1.66 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.92 3.87 0.00 1.93 2.15 0.00 3.53 0.00 0.00 3.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 6 D 8.61 4.54 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.59 4.05 0.00 1.80 1.72 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.12 3.97 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 9 Y 7.92 4.12 0.00 3.20 2.92 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 0.00 0.00 0.00 10 A 8.32 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 3.93 0.00 1.89 1.85 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.06 4.01 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 13 E 8.22 4.02 0.00 2.23 2.02 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 2.37 2.60 0.00 14 K 8.12 3.99 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.64 7.81 15 I 8.15 3.73 2.02 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 1.41 1.04 0.91 0.00 0.00 16 E 8.21 3.99 0.00 2.11 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 2.32 2.40 0.00 17 E 8.55 3.98 0.00 2.20 1.99 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 2.33 2.44 0.00 18 L 8.10 3.95 0.00 1.94 1.66 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.07 3.88 0.00 2.08 2.07 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 20 Q 8.10 4.00 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 21 R 8.02 3.94 0.00 2.16 1.98 0.00 3.18 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 22 D 8.52 4.37 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 23 A 8.23 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.93 0.00 1.78 1.86 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.91 3.72 2.00 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 1.52 0.58 0.91 0.00 0.00 26 D 8.08 4.52 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.92 0.00 2.11 2.11 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 2.31 2.47 0.00 28 L 8.10 4.03 0.00 1.74 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.19 3.96 0.00 2.21 1.99 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 2.33 2.51 0.00 30 L 7.85 3.98 0.00 1.93 1.73 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.28 4.00 0.00 2.16 1.99 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 2.33 2.66 0.00 32 L 8.07 3.98 0.00 1.90 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.03 4.38 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.06 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 35 K 8.16 4.07 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 36 D 7.93 4.41 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.82 3.99 0.00 2.18 2.02 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 2.35 2.32 0.00 38 L 7.58 4.14 0.00 1.79 1.88 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.20 3.90 2.00 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 1.41 0.79 0.91 0.00 0.00 40 Q 8.34 4.12 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 *42 L 7.92 4.30 0.00 1.98 1.74 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.13 4.01 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 44 N 8.31 4.34 0.00 2.76 2.88 0.00 0.00 6.62 6.94 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 45 E 8.17 4.04 0.00 2.09 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 0.00 2.55 2.59 0.00 46 L 8.05 4.20 0.00 1.90 1.75 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.34 4.60 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.66 4.14 0.00 1.83 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.35 7.81 49 Y 7.71 4.46 0.00 3.13 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.26 4.44 0.00 2.00 1.85 0.00 3.38 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 51 S 8.51 4.40 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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.