NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3317 8.0433 122.7541 54.9206 43.7709 175.1862 10 L 4.6379 8.4658 125.9763 51.8603 43.2716 174.2918 11 L 4.7220 9.3928 122.8830 54.7405 44.7957 174.1002 12 E 5.0373 8.8209 118.9347 55.0324 33.1775 174.6013 13 C 5.1620 8.5345 118.0863 57.3909 31.2235 173.0189 14 T 4.3570 7.9639 118.3560 58.4551 69.1605 174.4338 15 E 4.9243 8.9810 128.5731 61.3138 26.7750 180.1036 16 C 3.8770 7.8901 109.5647 61.1642 28.0197 174.2597 17 K 4.2758 8.5134 132.7482 56.1270 29.3644 177.3001 18 R 4.5534 6.4241 115.8466 56.8136 36.0729 173.8200 19 R 4.2317 9.2135 116.7568 56.9040 28.8983 180.7162 20 N 3.8770 8.5551 112.0584 52.4231 39.7311 171.4813 21 Y 5.7908 8.6144 120.8448 55.9090 42.3032 174.3479 22 A 4.5129 8.4976 118.9851 51.1807 22.6819 175.9995 23 T 3.5463 8.2807 102.6628 62.9160 69.2961 170.4525 24 E 4.5669 9.1068 129.1145 55.0194 34.0567 174.6272 25 K 5.0573 8.6290 125.6136 56.2597 35.4006 175.6532 26 N 5.1351 8.4727 123.7136 50.5814 41.0745 174.0774 27 K 4.4401 8.2209 115.2973 57.5722 32.8548 182.7706 28 R 3.1291 8.0821 114.3597 56.5842 30.9800 177.3086 29 N 3.6686 6.5984 119.1523 58.4680 40.3523 176.9823 30 T 4.0581 8.1465 106.3686 61.4968 69.8233 171.8309 31 P 4.0829 0.0000 0.0000 61.5441 29.1325 174.1884 32 N 4.2977 7.8472 115.6026 51.7981 42.5912 173.8462 33 K 4.6374 9.5445 135.0000 57.2601 33.3523 173.5417 34 L 3.6167 7.8513 125.8249 54.5723 37.2948 174.7157 35 E 3.9535 7.6846 118.9715 56.1901 30.5701 176.0838 36 L 4.5367 8.1701 126.6035 55.2274 42.0120 174.4218 37 R 4.7239 8.0147 124.4751 53.7828 33.3591 174.7805 38 K 4.2469 8.6612 126.2712 56.7764 32.7561 175.1045 39 Y 4.9275 8.0509 129.3929 56.5097 42.8649 172.9239 40 C 4.6451 6.3232 121.2644 56.6871 33.1848 171.0499 41 P 4.9886 0.0000 0.0000 60.7863 33.1865 175.0597 42 W 4.9206 8.9274 129.5486 59.9014 31.2594 176.8602 43 C 4.2520 8.0279 119.1554 59.5409 28.7021 169.5103 44 R 3.2574 7.3685 121.6933 56.9179 28.9225 176.6776 45 K 4.6615 8.2011 122.0366 56.1155 29.5355 174.4573 46 H 3.7901 8.2671 119.0896 55.1404 29.9154 172.1240 47 T 3.5222 8.7201 115.2028 62.2309 69.3894 170.5345 48 V 4.5706 7.9024 124.6409 60.0295 29.1474 177.4043 49 H 6.3000 8.1973 135.0000 57.1771 32.3122 172.2123 50 R 4.5006 7.9981 123.4834 56.1085 30.5423 178.4612 51 E 5.3285 8.8871 123.6417 58.0545 32.2610 174.6142 52 V 4.3070 8.1386 120.5134 62.4260 34.9091 175.2564 *53 K 4.1303 8.5210 121.3895 54.9715 32.3038 171.3288 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 9 L 8.04 4.33 0.00 1.71 1.75 1.01 0.30 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 10 L 8.47 4.64 0.00 1.62 1.56 0.91 0.63 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 11 L 9.39 4.72 0.00 1.86 1.71 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.82 5.04 0.00 2.25 2.28 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 2.26 2.38 0.00 13 C 8.53 5.16 0.00 2.74 2.76 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 14 T 7.96 4.36 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 15 E 8.98 4.92 0.00 2.17 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 2.29 2.09 0.00 16 C 7.89 3.88 0.00 3.19 3.28 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 17 K 8.51 4.28 0.00 1.82 2.33 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.34 7.81 18 R 6.42 4.55 0.00 2.03 1.92 0.00 3.21 0.00 0.00 3.29 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 0.00 19 R 9.21 4.23 0.00 2.08 1.41 0.00 3.13 0.00 0.00 3.27 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 20 N 8.56 3.88 0.00 2.96 3.13 0.00 0.00 6.63 7.56 0.00 0.00 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 Y 8.61 5.79 0.00 2.83 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 22 A 8.50 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.28 3.55 4.23 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 1.24 0.00 0.00 24 E 9.11 4.57 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 25 K 8.63 5.06 0.00 1.69 1.61 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.62 7.81 26 N 8.47 5.14 0.00 2.84 2.77 0.00 0.00 6.81 7.01 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 27 K 8.22 4.44 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.35 7.81 28 R 8.08 3.13 0.00 1.87 1.94 0.00 3.25 0.00 0.00 3.15 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 29 N 6.60 3.67 0.00 2.70 2.72 0.00 0.00 7.36 7.37 0.00 0.00 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 T 8.15 4.06 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 31 P 0.00 4.08 0.00 2.07 2.02 0.00 3.71 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 2.13 0.00 32 N 7.85 4.30 0.00 2.63 2.83 0.00 0.00 7.07 5.97 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 33 K 9.54 4.64 0.00 1.89 1.88 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.22 1.12 7.81 34 L 7.85 3.62 0.00 1.79 1.90 0.92 0.97 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 35 E 7.68 3.95 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 36 L 8.17 4.54 0.00 1.65 1.63 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.01 4.72 0.00 1.92 1.80 0.00 3.31 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 38 K 8.66 4.25 0.00 1.84 1.75 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 39 Y 8.05 4.93 0.00 2.90 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 40 C 6.32 4.65 0.00 2.50 2.14 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 0.00 0.00 0.00 41 P 0.00 4.99 0.00 2.22 1.99 0.00 3.95 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 42 W 8.93 4.92 0.00 3.19 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 43 C 8.03 4.25 0.00 3.05 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 44 R 7.37 3.26 0.00 1.88 1.87 0.00 3.28 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 45 K 8.20 4.66 0.00 1.79 1.83 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.38 7.81 46 H 8.27 3.79 0.00 3.23 3.07 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.72 3.52 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 48 V 7.90 4.57 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 0.79 0.00 0.00 0.95 0.00 0.00 49 H 8.20 6.30 0.00 3.34 3.13 0.00 5.88 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.00 4.50 0.00 1.70 1.30 0.00 3.33 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 51 E 8.89 5.33 0.00 2.05 1.88 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 2.06 2.02 0.00 52 V 8.14 4.31 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.10 0.00 0.00 *53 K 8.52 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.