NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6890 8.3649 120.4809 54.2468 43.7181 178.3707 4 Q 4.1165 9.1188 126.6406 55.7569 30.3225 173.4269 5 Q 4.3592 8.5685 122.8554 55.7231 29.6442 175.5469 6 T 4.4182 8.3098 114.1087 61.3242 69.3910 173.6019 *8 V 3.8894 8.2488 119.5213 62.7498 32.4293 174.1335 9 Y 5.0323 8.6015 125.1469 56.3272 40.2148 175.1169 10 I 4.5117 8.8530 124.8893 59.5004 40.2494 174.5264 11 V 4.3002 7.8714 127.9632 61.3153 33.0318 174.8233 12 S 4.5610 8.1821 118.1128 57.2358 65.0025 175.2278 13 A 4.1445 8.3286 130.3730 54.8074 18.4737 178.2565 14 K 4.6318 8.1019 115.4080 56.4552 32.9270 179.2713 15 R 3.9342 8.0617 118.8263 59.3266 29.3711 177.7012 16 K 3.8986 8.0086 118.6904 59.3813 32.1815 179.1999 17 I 3.7621 7.6736 119.7878 64.2990 36.9184 178.4033 18 I 3.7944 7.7590 112.7583 63.7088 37.5152 177.8616 19 A 4.1120 8.3987 122.5036 54.9562 18.4844 179.1397 20 D 4.4716 8.1488 117.3718 57.3787 41.0720 181.3264 21 R 4.1813 7.7565 119.6680 55.6586 29.7058 178.8088 *23 L 4.3416 7.9390 121.5237 55.4091 44.0243 178.5813 24 Q 3.9860 8.7448 116.3783 58.8959 28.5916 177.2665 25 E 4.5000 8.1515 113.8874 56.3775 29.9123 176.5468 26 L 4.6105 7.4117 116.6033 53.3079 43.6918 176.8433 27 D 4.6940 7.8083 116.6405 55.0405 38.7364 173.3375 28 L 4.2892 7.2944 119.8850 53.6707 42.4471 176.8693 29 G 3.8538 8.5670 112.9193 44.8573 0.0000 173.2587 30 V 4.5913 8.1615 118.3059 59.6051 35.7634 176.2841 31 T 4.4516 7.7897 115.9733 62.1759 67.6906 174.8408 *33 L 4.1851 8.2613 117.9064 54.3573 43.4401 174.5320 34 Q 4.8258 8.5884 123.0033 54.5710 30.1682 174.8291 35 A 4.3730 8.5594 128.8050 51.0520 20.1800 177.5214 36 V 3.7050 8.3053 120.6866 61.9757 30.9091 176.3924 37 G 3.8979 8.3433 116.3408 44.1965 0.0000 171.9821 38 A 3.9485 8.5882 122.0146 54.5641 18.1897 177.6607 39 Y 4.8669 7.5516 111.1515 55.9146 41.1638 176.9614 40 K 3.9594 8.7347 121.4487 59.4066 32.6347 178.6194 41 N 4.4959 8.3053 115.6341 56.4039 38.8114 175.9898 42 N 4.7574 7.4288 115.8695 52.6412 36.2824 173.7871 43 E 4.1373 7.9433 119.4266 56.4204 30.8669 176.6514 44 T 4.7558 8.3377 117.3484 60.3943 70.8028 172.0519 45 E 5.1657 8.9104 126.3088 54.6705 32.1677 175.2263 46 V 4.4532 8.6956 121.0837 61.4010 34.6976 175.7014 47 I 4.1201 8.0556 127.3792 60.4266 39.8760 173.8797 *49 C 4.3501 8.3751 121.7032 59.6085 32.0312 173.7677 50 V 4.2919 7.9317 125.8035 61.5627 32.4074 175.2346 *52 R 4.0997 8.1221 123.0075 55.6226 30.9974 176.6705 53 K 3.8951 7.9873 122.1731 58.4950 32.2509 177.1268 54 A 4.5942 7.6546 118.7592 53.4460 20.6236 178.5455 55 T 4.0340 7.9789 113.0863 66.1179 68.3483 176.3971 56 L 3.9314 7.9247 122.2982 58.1482 42.0599 179.0296 57 V 3.5862 7.7289 117.5446 66.0113 31.6787 177.9230 58 K 3.9634 8.0279 117.7296 59.4725 31.8390 179.3720 59 V 3.5870 7.6887 118.4157 65.7784 31.5259 177.7862 60 R 3.8837 8.4673 118.9053 59.9494 29.6233 178.2297 61 N 4.4400 8.0768 114.5477 55.8734 38.6419 176.9305 62 L 4.1019 7.7765 121.8880 57.8937 42.1178 178.9657 63 L 3.9648 8.0424 119.0885 57.8490 41.3939 179.2853 64 K 3.8827 7.6935 116.9039 60.0075 32.1222 178.7037 65 E 4.1725 7.8350 116.9117 57.9903 29.4795 177.6986 66 V 4.1329 7.4950 116.5404 63.7646 33.7887 174.8405 67 D 4.4996 8.5339 121.1900 52.3030 41.8552 173.4710 68 P 4.3605 0.0000 0.0000 64.7400 31.5283 177.3021 69 D 4.6902 8.5302 116.4099 54.3296 41.4395 176.6662 70 A 4.4719 7.7746 121.6623 52.6009 19.1609 177.5945 71 F 4.5451 7.7281 113.2297 56.1917 41.7840 172.7959 *73 I 4.2060 8.3570 118.9482 61.9010 38.7122 175.5153 74 V 4.2160 8.4597 128.0895 60.9787 30.9733 175.5478 75 S 4.3557 8.5985 120.9218 58.6463 62.1491 173.8732 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 3 D 8.36 4.69 0.00 2.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.12 4.12 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 5 Q 8.57 4.36 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 6 T 8.31 4.42 4.21 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 1.26 0.00 0.00 *8 V 8.25 3.89 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 0.75 0.00 0.00 0.87 0.00 0.00 9 Y 8.60 5.03 0.00 2.85 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 10 I 8.85 4.51 1.83 0.00 0.00 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 1.08 0.74 0.83 0.00 0.00 11 V 7.87 4.30 0.67 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 0.77 0.00 0.00 0.62 0.00 0.00 12 S 8.18 4.56 0.00 3.73 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 4.63 0.00 1.78 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.50 7.81 15 R 8.06 3.93 0.00 1.97 2.38 0.00 3.12 0.00 0.00 3.52 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 16 K 8.01 3.90 0.00 1.81 1.90 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 17 I 7.67 3.76 1.98 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 1.69 1.05 0.91 0.00 0.00 18 I 7.76 3.79 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.51 0.96 0.00 0.00 19 A 8.40 4.11 1.38 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 0.00 0.00 20 D 8.15 4.47 0.00 2.75 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 21 R 7.76 4.18 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 *23 L 7.94 4.34 0.00 1.74 1.85 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.74 3.99 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 25 E 8.15 4.50 0.00 2.02 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 2.26 2.25 0.00 26 L 7.41 4.61 0.00 1.61 1.62 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.81 4.69 0.00 2.83 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 28 L 7.29 4.29 0.00 1.80 1.58 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.57 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.16 4.59 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 0.73 0.00 0.00 0.92 0.00 0.00 31 T 7.79 4.45 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 *33 L 8.26 4.19 0.00 1.73 1.65 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.59 4.83 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 35 A 8.56 4.37 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.31 3.71 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 0.79 0.00 0.00 0.91 0.00 0.00 37 G 8.34 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 0.00 0.00 0.00 38 A 8.59 3.95 1.11 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 0.00 0.00 39 Y 7.55 4.87 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 3.96 0.00 1.79 1.90 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 N 8.31 4.50 0.00 2.68 2.87 0.00 0.00 6.94 8.00 0.00 0.00 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 N 7.43 4.76 0.00 2.90 2.86 0.00 0.00 7.09 7.54 0.00 0.00 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 E 7.94 4.14 0.00 1.96 1.90 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 2.38 2.37 0.00 44 T 8.34 4.76 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 45 E 8.91 5.17 0.00 2.05 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 2.18 2.27 0.00 46 V 8.70 4.45 2.09 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 0.92 0.00 0.00 0.89 0.00 0.00 47 I 8.06 4.12 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.89 0.00 0.00 *49 C 8.38 4.35 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 4.29 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 1.12 0.00 0.00 0.87 0.00 0.00 *52 R 8.12 4.10 0.00 1.93 1.86 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 53 K 7.99 3.90 0.00 1.72 1.96 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 54 A 7.65 4.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.98 4.03 4.30 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 1.20 0.00 0.00 56 L 7.92 3.93 0.00 1.74 1.67 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.73 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 58 K 8.03 3.96 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.50 7.81 59 V 7.69 3.59 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 1.06 0.00 0.00 0.96 0.00 0.00 60 R 8.47 3.88 0.00 2.08 2.00 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 61 N 8.08 4.44 0.00 2.90 2.87 0.00 0.00 7.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.78 4.10 0.00 1.88 1.83 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.04 3.96 0.00 1.95 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.69 3.88 0.00 1.94 1.92 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.65 7.81 65 E 7.83 4.17 0.00 2.04 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 2.34 2.48 0.00 66 V 7.49 4.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 67 D 8.53 4.50 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.36 0.00 2.10 2.12 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 69 D 8.53 4.69 0.00 2.84 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 70 A 7.77 4.47 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 4.55 0.00 3.09 3.16 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 *73 I 8.36 4.21 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 1.09 0.00 0.00 74 V 8.46 4.22 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 0.78 0.00 0.00 0.95 0.00 0.00 75 S 8.60 4.36 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.