NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.8112 8.4249 118.1279 53.0142 40.6471 174.3269 7 S 4.6030 7.8755 113.6688 57.3253 64.5774 171.7554 8 D 5.0436 8.0666 120.0637 53.3051 44.0372 174.3472 9 F 5.5281 8.0073 116.2529 55.2813 41.6483 173.9881 10 V 4.6700 9.2053 112.5160 59.6283 35.3141 174.8234 11 V 4.7700 8.6487 124.3349 61.5001 33.5767 174.4983 12 I 4.9742 9.0619 128.7661 59.4403 40.5976 174.1335 13 K 5.0622 9.3037 129.1758 54.4041 34.5715 174.8192 14 A 4.5737 8.8379 130.1385 51.9629 19.1353 177.5679 15 L 4.6045 9.2252 122.9464 55.1957 42.6140 175.8411 16 E 4.7908 7.7783 115.6582 54.6340 33.1353 174.6122 17 D 4.6001 8.7340 119.3301 54.8920 41.5786 176.0650 18 G 3.8766 8.3531 106.7788 46.7346 0.0000 174.4326 19 V 3.9885 7.9206 119.2759 62.2902 33.3168 174.2321 20 N 5.2411 9.3494 126.0152 51.9389 41.0173 173.2939 21 V 4.5437 8.7076 127.7202 61.5959 33.1661 174.0800 22 I 4.7752 8.9494 130.4803 59.6317 38.9765 175.2389 23 G 4.3085 9.3824 116.2696 45.0950 0.0000 172.8477 24 L 5.0668 8.9581 125.0723 53.0525 44.6488 176.5023 25 T 5.1937 8.6605 113.2816 59.2356 71.1358 174.4120 26 R 3.7770 8.5578 118.5429 57.3388 29.1453 176.6225 27 G 3.6371 8.6663 110.3257 46.4207 0.0000 171.8764 *34 H 4.5009 7.7686 119.0060 56.0309 30.8422 172.0236 35 S 4.8759 8.4881 120.4113 57.1505 64.5543 173.2905 36 E 4.4266 8.2779 124.8789 54.8371 32.4656 174.0205 37 K 4.6828 8.6792 129.0922 56.1803 33.4459 175.8260 38 L 4.9826 9.0561 126.3164 53.1451 45.2548 175.3871 39 D 5.0935 9.8265 123.5305 51.9551 43.7108 175.8535 40 K 4.0013 8.6887 122.2225 58.8963 32.1894 177.0178 41 G 4.0092 9.3355 115.8246 45.0094 0.0000 173.1949 42 E 4.3089 8.3256 120.0124 56.1428 30.9485 175.9162 43 V 4.9172 8.2717 121.6938 61.0265 34.4294 174.2120 44 L 4.7188 9.1855 129.7663 53.2819 44.8622 174.9557 45 I 4.8733 8.4673 126.5385 59.8198 38.7828 174.4177 46 A 4.6531 9.0700 130.4184 50.1111 20.9868 175.1613 47 Q 4.9964 8.4840 123.5840 54.3159 31.4547 174.8862 48 F 4.4747 8.7331 124.5126 57.5959 39.6088 175.8393 49 T 4.5707 8.4468 114.8161 59.8335 71.1619 174.2713 50 E 4.1585 8.7700 118.5952 59.8449 29.9685 177.7606 51 H 4.0571 8.5237 116.5871 57.9350 28.8497 174.2537 52 T 4.8782 7.5148 115.3466 61.7678 68.8406 173.9548 53 S 4.5172 8.8922 122.4743 60.5272 63.8921 174.5753 54 A 5.1396 8.0571 120.2830 49.7970 22.9846 174.7663 55 I 4.9782 8.5135 119.2264 59.4267 40.5563 174.8188 56 K 4.5952 9.2443 128.7791 54.5700 34.6815 174.8764 57 V 4.8018 8.3949 126.3469 61.2040 33.7725 174.2630 58 R 4.4614 9.2327 129.4519 54.9948 31.9622 174.7064 59 G 4.1510 8.8460 111.3584 42.9827 0.0000 172.7471 60 K 4.5732 8.9716 121.4338 55.9975 32.6699 175.5134 61 A 5.1349 9.0292 128.7431 50.6521 23.5306 173.5718 62 Y 4.9786 9.2850 121.4665 56.0917 40.9645 174.5981 63 I 4.9934 8.5086 127.2443 59.5274 41.0564 174.2513 64 Q 5.0046 9.0906 126.2030 54.2664 31.5166 174.8974 65 T 4.8828 8.5072 112.8141 59.2760 72.4150 174.6454 66 R 3.6499 8.5736 121.1551 59.4674 29.8191 176.3606 67 H 4.7193 7.6191 112.4496 55.4710 29.0739 174.1089 68 G 3.7286 7.9993 106.9891 44.2311 0.0000 173.3569 69 V 4.6028 7.8044 111.0939 60.4451 33.6603 175.5427 70 I 4.5058 8.3697 121.5088 59.9454 41.9211 172.6664 71 E 5.2538 8.7298 127.9900 54.3927 31.8004 174.9714 72 S 4.5898 9.1180 122.4644 57.4910 65.1505 173.2473 73 E 4.9627 8.6084 124.1031 53.6714 29.3544 176.3050 74 G 4.2391 8.1360 111.6130 45.3778 0.0000 171.1694 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 6 N 8.42 4.81 0.00 2.76 2.97 0.00 0.00 6.71 6.68 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 7 S 7.88 4.60 0.00 3.92 3.87 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 0.00 0.00 0.00 8 D 8.07 5.04 0.00 2.73 2.58 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 9 F 8.01 5.53 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.21 4.67 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 0.71 0.00 0.00 0.87 0.00 0.00 11 V 8.65 4.77 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 1.13 0.00 0.00 1.16 0.00 0.00 12 I 9.06 4.97 1.87 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 1.10 0.49 0.92 0.00 0.00 13 K 9.30 5.06 0.00 1.88 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.84 4.57 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 15 L 9.23 4.60 0.00 1.58 1.73 1.00 0.85 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 16 E 7.78 4.79 0.00 1.91 1.89 0.00 0.00 0.00 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 2.33 0.00 17 D 8.73 4.60 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 19 V 7.92 3.99 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 1.00 0.00 0.00 1.04 0.00 0.00 20 N 9.35 5.24 0.00 2.80 2.62 0.00 0.00 6.63 7.66 0.00 0.00 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 V 8.71 4.54 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 0.87 0.00 0.00 0.91 0.00 0.00 22 I 8.95 4.78 1.87 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 1.15 0.47 0.91 0.00 0.00 23 G 9.38 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 0.00 0.00 0.00 0.00 24 L 8.96 5.07 0.00 1.86 1.59 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.66 5.19 4.26 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 1.25 0.00 0.00 26 R 8.56 3.78 0.00 1.92 2.03 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 27 G 8.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.77 4.50 0.00 3.29 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.49 4.88 0.00 3.89 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 36 E 8.28 4.43 0.00 1.98 1.77 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 2.17 2.27 0.00 37 K 8.68 4.68 0.00 1.77 1.67 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.52 7.81 38 L 9.06 4.98 0.00 1.69 1.50 0.92 0.86 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 39 D 9.83 5.09 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.00 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 41 G 9.34 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 0.00 0.00 0.00 42 E 8.33 4.31 0.00 2.08 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 2.32 2.25 0.00 43 V 8.27 4.92 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.19 4.72 0.00 1.71 1.45 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.87 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.59 0.00 0.00 46 A 9.07 4.65 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 47 Q 8.48 5.00 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 48 F 8.73 4.47 0.00 3.07 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 49 T 8.45 4.57 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 1.23 0.00 0.00 50 E 8.77 4.16 0.00 2.11 2.15 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 2.34 2.35 0.00 51 H 8.52 4.06 0.00 3.27 3.45 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.51 4.88 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 S 8.89 4.52 0.00 3.91 4.02 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 54 A 8.06 5.14 1.28 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 0.00 0.00 55 I 8.51 4.98 1.82 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.89 0.00 0.00 56 K 9.24 4.60 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 57 V 8.39 4.80 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 0.84 0.00 0.00 0.92 0.00 0.00 58 R 9.23 4.46 0.00 1.90 1.75 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 59 G 8.85 4.15 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 0.00 0.00 0.00 60 K 8.97 4.57 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 A 9.03 5.13 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 62 Y 9.29 4.98 0.00 2.98 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 63 I 8.51 4.99 1.87 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 1.20 0.64 0.92 0.00 0.00 64 Q 9.09 5.00 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 65 T 8.51 4.88 4.14 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 1.18 0.00 0.00 66 R 8.57 3.65 0.00 1.58 1.78 0.00 3.18 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 67 H 7.62 4.72 0.00 3.19 3.24 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.00 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 69 V 7.80 4.60 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.98 0.00 0.00 70 I 8.37 4.51 1.83 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 1.10 1.08 0.86 0.00 0.00 71 E 8.73 5.25 0.00 2.10 1.85 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 2.24 2.37 0.00 72 S 9.12 4.59 0.00 3.92 3.98 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 0.00 0.00 0.00 73 E 8.61 4.96 0.00 1.86 1.94 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 0.00 2.23 2.29 0.00 74 G 8.14 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.