NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.7186 8.2833 118.1240 53.3123 40.7268 176.1933 14 D 4.2033 8.2810 117.0070 56.4182 40.8491 176.2705 15 I 3.8688 8.0638 119.4307 62.4338 39.6819 175.0201 16 A 4.8200 7.9555 121.9181 51.0667 18.4724 175.8510 17 R 4.6788 7.6230 117.6495 55.1568 31.7978 179.3996 18 G 4.1642 8.5456 108.4373 48.5681 0.0000 175.9286 19 F 4.5342 8.0784 119.1368 60.1342 38.7075 176.8216 20 E 4.1984 8.3923 116.8999 58.0034 29.4105 178.6640 21 R 3.9998 7.7206 118.1595 56.6427 30.1661 176.6659 22 G 3.6892 7.8148 106.3241 46.6279 0.0000 173.3579 23 L 4.5026 7.1159 117.8173 52.4556 44.3525 175.5646 24 E 4.7900 8.3506 119.3858 54.6268 30.9736 174.6786 25 P 4.9622 0.0000 0.0000 63.5215 32.0383 174.8576 26 E 4.5559 9.1971 121.0648 57.2319 32.2557 175.5870 27 K 4.3554 7.3422 117.1560 55.4156 35.7221 173.6966 28 I 4.2217 8.2286 128.5520 60.4689 37.7487 175.5473 29 I 4.2966 8.2258 119.3731 59.7005 38.5059 175.1862 30 G 4.1183 7.1048 110.4621 47.1035 0.0000 171.2773 31 A 5.6410 7.8227 119.9565 52.1037 22.3135 175.2101 32 T 4.1801 7.9269 111.0996 62.0141 70.6152 171.9675 33 D 4.7909 8.6730 125.1781 53.2694 42.2672 176.0423 *37 D 4.2904 8.3106 120.6093 53.6525 42.2481 175.2863 38 L 3.9823 8.3931 125.2149 56.3720 42.9846 175.6646 39 M 4.9335 9.0303 124.7669 53.4277 36.4201 174.2382 40 F 5.3742 8.5496 120.3521 55.4681 42.2252 174.7431 41 L 4.1871 8.7873 126.4656 55.1752 42.8540 174.9295 42 M 4.3765 8.5307 127.8125 53.5070 34.3125 174.4469 43 K 4.3347 8.2531 127.7047 55.0406 33.9711 175.4179 44 W 5.4346 7.9197 126.7490 54.9927 31.0271 176.3963 45 K 4.2095 8.9071 123.9539 57.5237 31.9769 178.2217 46 D 4.6529 9.1086 123.9336 54.9425 39.6508 173.7010 47 T 4.6196 7.6623 108.2810 60.1551 71.3852 174.9052 48 D 4.7824 8.2638 123.6016 52.7603 39.6376 175.8497 49 E 4.9694 7.5533 119.0312 54.8896 34.8358 175.3694 50 A 4.8076 8.4839 122.9424 50.6650 22.5834 174.9840 51 D 4.8275 8.7239 119.0494 52.5088 46.2805 174.9598 52 L 4.6376 8.4401 120.7407 55.1694 42.9851 176.5908 53 V 4.6885 8.3572 114.9309 59.3832 36.6869 174.7668 54 L 4.3058 8.4628 122.5201 54.1674 42.5748 177.7556 55 A 3.8308 8.1508 125.7630 55.3752 17.2656 179.5367 56 K 3.7742 8.1409 117.3105 59.9707 32.0733 178.1927 57 E 4.1622 8.2256 118.4145 59.0692 29.7801 178.2539 58 A 4.3767 8.6137 120.9996 55.2088 18.2235 179.1048 59 N 4.3849 8.4759 114.8721 56.6469 38.6983 177.2308 60 V 3.8433 7.1043 115.0635 65.4899 31.8940 177.6393 61 K 4.1431 7.9305 118.4712 58.1168 33.7479 177.0338 62 C 4.8491 8.4625 113.9880 54.9807 30.0933 172.4108 63 P 4.3176 0.0000 0.0000 66.9593 31.3702 178.6760 64 Q 4.0354 8.0723 117.3432 58.7143 28.7739 178.6958 65 I 3.7602 7.7045 120.4901 64.0926 36.8043 178.3404 66 V 3.3277 7.6486 119.0464 66.1478 31.3937 178.2461 67 I 3.9522 8.2739 119.6575 64.3274 36.6866 178.3203 68 A 4.0486 7.9252 121.0067 54.9590 18.2192 179.0994 69 F 4.2154 7.7740 118.2273 61.6011 39.5619 176.7062 70 Y 4.2426 7.5584 115.9318 60.7670 37.4860 177.6837 71 E 4.3530 7.9338 114.3637 57.2661 29.2676 176.9385 72 E 4.1973 7.9732 125.1507 56.4352 29.8664 175.7818 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 13 N 8.28 4.72 0.00 2.85 2.93 0.00 0.00 6.97 7.19 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 14 D 8.28 4.20 0.00 2.74 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 15 I 8.06 3.87 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.89 0.00 0.00 16 A 7.96 4.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.62 4.68 0.00 1.88 2.07 0.00 3.36 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 18 G 8.55 4.16 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 0.00 0.00 0.00 19 F 8.08 4.53 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.20 0.00 2.07 2.00 0.00 0.00 0.00 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 2.41 0.00 21 R 7.72 4.00 0.00 1.36 1.70 0.00 3.25 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 22 G 7.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.12 4.50 0.00 0.65 1.41 0.63 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.35 4.79 0.00 2.03 1.97 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 0.00 2.39 2.33 0.00 25 P 0.00 4.96 0.00 2.21 2.40 0.00 3.90 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 26 E 9.20 4.56 0.00 2.11 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 2.16 2.22 0.00 27 K 7.34 4.36 0.00 1.77 1.48 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.36 7.81 28 I 8.23 4.22 1.12 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 0.90 0.25 -0.24 0.00 0.00 29 I 8.23 4.30 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.81 0.00 0.00 30 G 7.10 4.12 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 0.00 0.00 0.00 31 A 7.82 5.64 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.93 4.18 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 1.17 0.00 0.00 33 D 8.67 4.79 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 *37 D 8.31 4.29 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 3.98 0.00 1.71 1.45 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 39 M 9.03 4.93 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 40 F 8.55 5.37 0.00 2.72 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 0.00 0.00 0.00 0.00 41 L 8.79 4.19 0.00 1.64 1.41 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.53 4.38 0.00 0.96 1.34 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 0.00 43 K 8.25 4.33 0.00 1.67 1.63 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.47 7.81 44 W 7.92 5.43 0.00 3.22 3.05 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 0.00 0.00 0.00 0.00 45 K 8.91 4.21 0.00 1.87 1.81 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.43 7.81 46 D 9.11 4.65 0.00 2.92 2.84 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 47 T 7.66 4.62 4.31 0.00 0.00 0.00 0.00 0.00 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 48 D 8.26 4.78 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.55 4.97 0.00 2.06 2.00 0.00 0.00 0.00 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 2.38 0.00 50 A 8.48 4.81 1.02 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 0.00 0.00 51 D 8.72 4.83 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.44 4.64 0.00 1.70 1.52 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.36 4.69 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.75 0.00 0.00 54 L 8.46 4.31 0.00 1.76 1.58 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.15 3.83 0.72 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 0.00 0.00 56 K 8.14 3.77 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.56 7.81 57 E 8.23 4.16 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 58 A 8.61 4.38 1.72 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 0.00 0.00 59 N 8.48 4.38 0.00 2.97 3.01 0.00 0.00 6.97 8.12 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 60 V 7.10 3.84 2.20 0.00 0.00 0.00 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 0.96 0.00 0.00 61 K 7.93 4.14 0.00 1.45 1.30 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 1.20 7.81 62 C 8.46 4.85 0.00 3.11 3.05 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 0.00 0.00 0.00 0.00 63 P 0.00 4.32 0.00 2.32 2.54 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 64 Q 8.07 4.04 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 65 I 7.70 3.76 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.99 0.81 0.00 0.00 66 V 7.65 3.33 2.35 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 1.33 0.00 0.00 1.19 0.00 0.00 67 I 8.27 3.95 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.83 0.97 0.00 0.00 68 A 7.93 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.77 4.22 0.00 2.59 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 70 Y 7.56 4.24 0.00 3.22 2.86 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 71 E 7.93 4.35 0.00 1.97 1.98 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 2.36 2.51 0.00 72 E 7.97 4.20 0.00 1.81 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 2.42 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.