NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 F 4.5884 8.1785 119.0088 56.7793 40.6863 176.9810 10 A 4.0352 7.9938 124.0004 53.5154 20.1781 177.5573 11 T 3.4957 9.2184 101.8986 65.0153 67.3082 173.1975 12 L 4.0689 9.0500 121.3028 57.7797 41.9181 177.8578 13 G 3.7211 8.0532 104.6569 47.8015 0.0000 174.7776 14 A 4.4228 7.6843 122.3742 55.6936 18.1658 179.9673 15 T 3.8017 7.1694 111.5614 66.5851 68.7367 176.7554 16 L 3.8179 7.4250 120.5340 57.6901 41.3308 179.2398 17 Q 4.2660 8.9158 118.9835 59.4780 28.6098 179.0176 18 D 4.4851 8.1111 116.2083 56.2529 41.4780 177.1383 19 S 4.6046 8.0060 114.4019 57.4773 63.4156 173.8759 20 I 4.0019 6.9226 123.7781 63.1712 37.2055 176.5858 21 G 3.9847 9.6361 113.5689 45.2230 0.0000 173.0127 22 K 4.7344 7.9549 119.0159 54.1037 35.9514 175.3277 23 Q 4.7495 8.5280 123.5895 56.2319 30.4105 175.1086 24 V 4.8797 9.0590 124.8017 59.8493 35.6789 173.6967 25 L 5.1710 8.8573 124.1428 53.4244 44.3473 175.2030 26 V 4.7242 9.0561 125.9153 61.0010 34.8055 174.1023 27 K 4.8822 7.7725 126.0320 54.5329 34.7810 175.2346 28 L 5.1722 8.6296 123.0134 52.3143 45.5843 176.0834 29 R 3.8033 8.3508 119.5833 57.3157 30.9350 176.1855 30 D 4.3724 9.0394 117.3434 55.6575 38.0366 174.1060 31 S 3.7229 8.0743 111.0456 59.9870 60.5079 171.6231 32 H 4.7322 7.6686 116.1642 54.5925 30.7735 174.4192 33 E 4.9976 8.6765 122.5040 54.5870 32.4717 174.3208 34 I 5.2022 8.9200 127.4938 59.6164 41.5889 174.8267 35 R 5.0792 8.6848 122.9385 54.5572 34.4043 174.6939 36 G 4.2922 8.3598 107.9381 45.7872 0.0000 172.3445 37 I 4.5876 7.8626 121.9506 60.6238 38.3594 175.5021 38 L 4.4449 8.8900 130.5190 55.4314 42.1735 177.1805 39 R 4.3664 8.8931 126.6533 57.9755 31.6491 176.5343 40 S 4.7822 7.8817 111.0718 58.1031 66.0072 174.0542 41 F 5.7841 8.0648 114.4936 57.1809 40.8580 172.1545 42 D 4.7552 8.4225 117.1323 51.8888 42.1432 175.7085 43 Q 4.1963 8.7107 116.4624 58.4684 28.9573 176.6516 44 H 4.6077 10.4125 114.9774 55.0442 29.2722 175.9009 45 V 3.3585 8.1712 118.8065 63.6400 30.6403 171.0692 46 N 5.0032 8.2081 114.7035 52.9707 39.7463 173.9865 47 L 5.3611 8.9452 120.5604 52.9706 46.6776 175.0790 48 L 5.1027 8.9657 123.5990 53.3940 44.6306 175.2001 49 L 5.3851 9.2446 128.1607 53.6538 45.9224 176.0489 50 E 4.8744 9.0074 119.7172 54.9827 33.6670 174.9140 51 D 4.1595 8.7490 116.9554 55.5702 38.8652 174.2076 52 A 4.7257 8.2128 119.9191 52.2300 20.1157 177.1648 53 E 5.1088 9.1209 115.7156 55.5076 33.4427 174.0185 54 E 4.9925 9.4973 121.2948 55.0663 32.3528 175.3311 55 I 4.9260 8.6626 124.8228 60.0084 38.5879 175.2292 56 I 4.3691 8.7874 128.9399 60.4135 39.2342 176.1517 57 D 4.4408 9.8285 126.2478 55.4184 38.2797 175.2472 58 G 4.0257 8.3819 105.6332 45.7468 0.0000 173.7709 59 N 4.8682 8.1512 117.7312 52.0992 40.7976 174.1388 60 V 4.7471 8.0605 121.3357 61.7092 33.6631 174.6908 61 Y 4.5408 9.3827 125.0200 55.8914 40.7079 175.0897 62 K 4.5660 8.7794 124.5169 56.6330 32.3327 177.3876 63 R 4.4451 9.5224 122.5385 54.1675 33.1516 176.8782 64 G 4.0455 8.4238 104.9596 45.0026 0.0000 175.1830 65 T 4.6590 8.3409 121.0359 63.3266 69.1574 172.6429 66 M 4.8726 9.3720 125.6172 53.9049 35.9660 173.7239 67 V 4.7462 8.4831 125.5376 60.1660 33.7123 175.2129 68 V 4.4264 8.6235 124.1984 60.9025 34.3493 174.8238 69 R 4.5819 8.6428 127.2427 55.6878 30.8819 177.9328 70 G 3.9942 9.2477 111.9233 47.0941 0.0000 175.0956 71 E 3.8813 8.3267 119.9702 58.9038 29.7095 177.0307 72 N 4.7631 7.8443 113.5787 52.6476 39.0925 174.7095 73 V 3.8917 7.5867 119.8069 63.0704 32.1458 175.3281 74 L 4.5410 8.6824 128.5689 56.4924 42.2584 176.6501 75 F 5.0572 7.2048 111.3415 55.9510 41.4517 172.3642 76 I 5.3548 8.4574 119.5214 59.7408 40.9339 175.2611 77 S 4.7092 9.3654 121.2956 55.8259 66.1453 171.6636 78 P 4.6585 0.0000 0.0000 62.7308 31.8635 176.2564 79 V 3.7462 8.7748 123.7271 62.2834 31.2994 175.1927 80 P 4.1158 0.0000 0.0000 63.7748 31.6886 176.5080 81 G 3.6043 7.7089 112.0264 45.9073 0.0000 172.1982 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 F 8.18 4.59 0.00 2.22 2.36 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 10 A 7.99 4.04 1.34 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 0.00 0.00 0.00 0.00 0.00 11 T 9.22 3.50 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 1.21 0.00 0.00 12 L 9.05 4.07 0.00 1.73 1.60 0.93 0.82 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 13 G 8.05 3.72 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 0.00 14 A 7.68 4.42 1.39 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 0.00 0.00 15 T 7.17 3.80 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 1.17 0.00 0.00 16 L 7.43 3.82 0.00 0.46 0.13 0.42 1.27 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 17 Q 8.92 4.27 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 18 D 8.11 4.49 0.00 2.67 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 19 S 8.01 4.60 0.00 3.86 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 20 I 6.92 4.00 1.94 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.90 0.97 0.00 0.00 21 G 9.64 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 0.00 0.00 0.00 22 K 7.95 4.73 0.00 1.84 1.70 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.51 7.81 23 Q 8.53 4.75 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 24 V 9.06 4.88 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 0.75 0.00 0.00 0.98 0.00 0.00 25 L 8.86 5.17 0.00 1.81 1.82 0.96 0.96 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 26 V 9.06 4.72 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 0.94 0.00 0.00 0.92 0.00 0.00 27 K 7.77 4.88 0.00 0.79 1.34 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.16 0.94 7.81 28 L 8.63 5.17 0.00 1.51 1.50 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.35 3.80 0.00 1.69 1.89 0.00 3.44 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 30 D 9.04 4.37 0.00 2.92 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 31 S 8.07 3.72 0.00 3.93 3.89 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 0.00 0.00 0.00 32 H 7.67 4.73 0.00 3.04 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.68 5.00 0.00 1.98 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 2.26 2.28 0.00 34 I 8.92 5.20 1.85 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 1.22 0.49 0.98 0.00 0.00 35 R 8.68 5.08 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 36 G 8.36 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 4.59 1.98 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 1.13 0.60 0.95 0.00 0.00 38 L 8.89 4.44 0.00 1.81 1.60 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.89 4.37 0.00 1.74 1.98 0.00 3.43 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 40 S 7.88 4.78 0.00 3.74 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 41 F 8.06 5.78 0.00 3.16 3.06 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 0.00 0.00 0.00 42 D 8.42 4.76 0.00 2.82 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 43 Q 8.71 4.20 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 H 10.41 4.61 0.00 3.35 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.17 3.36 2.12 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 0.93 0.00 0.00 0.97 0.00 0.00 46 N 8.21 5.00 0.00 2.89 2.75 0.00 0.00 6.77 6.74 0.00 0.00 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 L 8.95 5.36 0.00 1.57 1.55 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.97 5.10 0.00 1.74 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.24 5.39 0.00 1.58 1.50 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.01 4.87 0.00 1.62 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 2.13 2.12 0.00 51 D 8.75 4.16 0.00 2.80 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 52 A 8.21 4.73 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 53 E 9.12 5.11 0.00 2.15 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 2.40 2.32 0.00 54 E 9.50 4.99 0.00 1.93 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 2.25 2.29 0.00 55 I 8.66 4.93 1.90 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 1.26 0.49 0.95 0.00 0.00 56 I 8.79 4.37 1.74 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.81 0.00 0.00 57 D 9.83 4.44 0.00 2.85 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 58 G 8.38 4.03 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 0.00 0.00 0.00 59 N 8.15 4.87 0.00 2.98 2.57 0.00 0.00 6.39 8.28 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 60 V 8.06 4.75 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 0.86 0.00 0.00 0.94 0.00 0.00 61 Y 9.38 4.54 0.00 2.90 2.89 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 0.00 0.00 0.00 62 K 8.78 4.57 0.00 1.65 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 R 9.52 4.45 0.00 1.62 1.94 0.00 3.35 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 64 G 8.42 4.05 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 0.00 0.00 0.00 65 T 8.34 4.66 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 1.22 0.00 0.00 66 M 9.37 4.87 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 67 V 8.48 4.75 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 0.74 0.00 0.00 0.93 0.00 0.00 68 V 8.62 4.43 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 0.95 0.00 0.00 0.92 0.00 0.00 69 R 8.64 4.58 0.00 1.90 1.83 0.00 3.17 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 70 G 9.25 3.99 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 0.00 0.00 0.00 71 E 8.33 3.88 0.00 1.94 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 2.29 2.35 0.00 72 N 7.84 4.76 0.00 2.75 2.78 0.00 0.00 6.60 7.43 0.00 0.00 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 V 7.59 3.89 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 0.75 0.00 0.00 0.97 0.00 0.00 74 L 8.68 4.54 0.00 1.47 1.72 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.20 5.06 0.00 3.01 3.11 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 76 I 8.46 5.35 1.89 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 1.39 0.68 0.91 0.00 0.00 77 S 9.37 4.71 0.00 3.82 3.92 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 0.00 0.00 0.00 0.00 78 P 0.00 4.66 0.00 2.09 2.11 0.00 3.76 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 1.98 1.96 0.00 79 V 8.77 3.75 2.10 0.00 0.00 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 80 P 0.00 4.12 0.00 2.08 2.13 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 81 G 7.71 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.