NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5375 8.1833 119.4360 57.2603 41.1920 176.7561 2 L 3.8693 8.7488 124.4324 57.9174 42.1734 177.1913 3 D 4.4543 8.3361 118.6510 57.4708 41.2404 178.5891 4 G 3.5535 8.0611 105.5701 47.9007 0.0000 175.5730 5 I 3.5742 7.6492 121.9264 63.9065 36.8532 177.8401 6 D 4.4698 7.7477 117.9878 57.4383 41.1236 178.4029 7 K 4.1185 7.5344 116.9804 59.4793 32.1990 179.0869 8 A 3.8078 7.5857 119.9149 53.8084 18.5856 178.0947 9 Q 3.9483 8.2433 119.3463 56.5969 29.6021 174.9571 10 E 4.6499 8.1423 123.2583 55.5901 32.4532 174.2970 11 E 4.1688 8.5378 119.1075 56.5216 30.2183 177.8417 12 H 4.1422 8.3826 121.0271 56.1806 27.7311 174.4459 13 E 4.5725 7.2584 122.5735 54.9893 32.6610 177.0365 14 K 3.9777 8.5589 117.3587 60.2914 31.7616 178.7320 15 Y 3.9419 8.0745 116.1526 61.3035 37.8338 177.8295 16 H 4.4496 7.9918 116.8566 58.8723 28.8744 177.5571 17 S 4.5227 8.0145 114.5950 60.2619 63.7806 174.7643 18 N 4.6290 7.8505 122.2080 51.0715 37.6139 175.3979 19 W 4.2778 8.2029 123.5309 58.9564 28.6419 178.5569 20 R 3.1500 6.5771 118.7409 58.8188 29.3698 178.3679 21 A 4.0218 7.3098 120.0741 55.4270 18.3320 179.4035 22 M 4.1992 8.1736 115.9186 58.8266 32.4396 178.1468 23 A 4.1775 8.2250 121.0392 55.3046 18.3631 179.6040 24 S 4.0714 8.4457 111.1587 61.4915 62.5319 175.7534 25 D 4.4092 8.4226 121.1517 56.9395 40.7263 177.9515 26 F 4.4232 8.2154 114.3856 55.9978 40.1176 175.2802 27 N 4.2688 8.1603 115.4274 54.6576 36.4814 173.9161 28 L 4.8602 7.6320 115.3345 51.8337 45.4202 175.4370 29 P 4.5218 0.0000 0.0000 61.9462 31.9176 175.5619 30 P 4.2478 0.0000 0.0000 65.7220 31.0047 178.8199 31 V 3.8512 7.7400 116.7600 66.1119 31.5332 178.0434 32 V 3.5108 7.6127 116.9748 65.8893 31.5208 177.8104 33 A 4.0351 7.9197 120.0328 55.1826 18.2448 179.6030 34 K 3.6541 8.8530 118.0442 59.3734 32.0611 179.1611 35 E 3.8609 8.2322 119.6448 59.3366 29.5427 178.9832 36 I 3.6882 7.6043 119.4482 64.3209 36.9129 178.5686 37 V 3.5799 7.3964 117.6237 65.9622 31.4176 177.7167 38 A 4.1970 7.9372 119.8097 55.0986 18.2291 179.4877 39 S 4.3993 7.8623 113.2575 60.3789 63.2342 174.3173 40 C 4.3237 7.9662 123.1586 58.8124 31.4651 173.5840 41 D 4.3922 8.8721 128.3598 57.4736 40.2111 178.8512 42 K 3.9349 7.9238 117.4967 59.7562 32.1631 178.7325 43 C 4.4053 7.9888 115.5132 63.2617 28.2559 174.6575 44 Q 4.0993 8.1707 121.3767 57.3262 28.9569 175.5629 45 L 4.1946 7.9489 122.3459 54.7745 42.7968 177.5855 46 K 4.1023 8.6354 121.9590 58.0808 33.1155 177.0433 *47 G 3.7302 7.9298 111.0670 45.7262 0.0000 172.2669 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 F 8.18 4.54 0.00 3.17 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 2 L 8.75 3.87 0.00 1.81 1.74 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.34 4.45 0.00 2.71 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 4 G 8.06 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.57 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.88 0.00 0.00 6 D 7.75 4.47 0.00 2.78 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 7 K 7.53 4.12 0.00 1.66 1.99 0.00 1.87 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.47 7.81 8 A 7.59 3.81 0.83 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 0.00 0.00 9 Q 8.24 3.95 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 10 E 8.14 4.65 0.00 1.94 1.84 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 2.15 2.28 0.00 11 E 8.54 4.17 0.00 2.00 1.87 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 2.33 2.31 0.00 12 H 8.38 4.14 0.00 3.10 3.27 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.26 4.57 0.00 2.14 2.01 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 2.38 2.33 0.00 14 K 8.56 3.98 0.00 1.63 1.71 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.50 7.81 15 Y 8.07 3.94 0.00 3.05 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 16 H 7.99 4.45 0.00 3.17 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.01 4.52 0.00 4.03 4.01 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 18 N 7.85 4.63 0.00 2.73 2.64 0.00 0.00 6.62 6.92 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 19 W 8.20 4.28 0.00 3.64 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.58 3.15 0.00 1.28 1.50 0.00 2.63 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.31 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.17 4.20 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.73 0.00 23 A 8.22 4.18 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.07 0.00 3.93 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 D 8.42 4.41 0.00 3.01 2.39 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 0.00 26 F 8.22 4.42 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.27 0.00 2.87 2.88 0.00 0.00 6.73 7.35 0.00 0.00 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 L 7.63 4.86 0.00 1.64 1.51 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.52 0.00 2.22 2.19 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 30 P 0.00 4.25 0.00 1.94 1.58 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 31 V 7.74 3.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.90 0.00 0.00 32 V 7.61 3.51 2.01 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 0.94 0.00 0.00 0.77 0.00 0.00 33 A 7.92 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 3.65 0.00 1.58 1.63 0.00 1.34 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.63 1.11 7.81 35 E 8.23 3.86 0.00 2.06 2.04 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 2.29 2.50 0.00 36 I 7.60 3.69 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.83 0.00 0.00 37 V 7.40 3.58 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 0.76 0.00 0.00 0.99 0.00 0.00 38 A 7.94 4.20 1.32 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 0.00 0.00 0.00 39 S 7.86 4.40 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.32 0.00 3.02 2.88 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 41 D 8.87 4.39 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.93 0.00 1.58 1.65 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.49 7.81 43 C 7.99 4.41 0.00 3.17 3.07 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 44 Q 8.17 4.10 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 45 L 7.95 4.19 0.00 1.68 1.59 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.64 4.10 0.00 1.75 1.86 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 *47 G 7.93 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.