NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4377 8.3049 120.3550 54.7291 33.5493 174.8926 2 K 4.0696 8.4972 124.0927 56.0018 33.2803 173.8889 3 Y 5.0802 8.8612 125.7358 55.9141 42.6839 172.9193 4 C 4.6637 8.1793 127.4443 57.9234 32.5055 174.5147 5 K 4.0940 9.0382 128.4399 59.1125 32.3321 177.9126 6 F 4.4555 8.2249 120.1703 61.1543 39.5248 176.3755 7 C 3.8048 7.9184 115.8759 60.6686 28.1789 173.1622 8 C 3.9049 7.8080 115.7143 58.7099 25.9427 172.4903 9 K 4.8360 6.8339 115.1403 55.1429 36.0712 174.9868 10 A 4.8100 8.7887 122.8367 52.5393 18.8058 177.3416 11 V 4.7211 8.7783 114.7370 59.7478 35.3118 175.3721 12 T 4.5846 7.9326 111.3392 61.0011 71.7472 174.2610 13 G 4.2865 8.9430 109.5383 46.3768 0.0000 173.6685 14 V 4.5428 7.1367 110.7803 58.9889 35.4490 175.1855 15 K 4.5365 8.4216 120.8212 55.6091 33.7243 176.1752 16 L 5.0809 8.4901 123.5408 54.1078 43.4947 176.0455 17 I 4.8183 8.8749 121.9901 59.8815 40.8035 174.9271 18 H 4.9778 9.0414 123.3697 55.7246 29.4976 175.7602 19 V 3.3647 8.1067 114.6787 59.9696 32.4348 174.6862 20 P 4.0449 0.0000 0.0000 62.2733 31.7016 177.0798 21 K 3.9302 8.4056 123.2420 59.1933 32.6224 177.6679 22 C 4.1278 7.8629 119.2960 59.1548 32.6559 173.9200 23 A 3.9773 8.5973 129.9635 55.2012 17.9292 179.5537 24 I 3.8011 7.7196 120.3846 64.9465 37.3272 179.1324 25 K 4.0070 7.8979 124.0941 59.8427 31.5687 180.7870 26 R 3.7690 8.2320 120.3989 58.8863 29.8488 178.5647 27 K 4.1627 7.9756 119.3043 59.3014 32.1598 178.6824 28 L 4.0472 7.8179 119.3321 57.7716 41.6086 179.6003 29 W 4.1595 8.3214 118.5287 59.7224 28.9856 178.3338 30 E 4.2561 8.2908 119.9191 59.1006 28.7231 179.5557 31 Q 4.0573 8.1181 116.8274 59.0123 28.8380 178.4549 32 S 4.1416 8.0863 113.2778 60.8576 62.4657 175.4100 33 L 4.1060 7.9195 120.2675 54.0266 42.1178 176.9528 34 G 3.8774 9.0949 106.5875 46.3536 0.0000 172.5650 35 C 4.9240 7.7579 112.3206 55.8856 33.1181 172.8623 36 S 4.6813 8.4230 114.4715 57.6686 63.7752 173.6010 37 L 4.7581 9.1655 122.2114 53.0778 44.9324 177.0741 38 G 4.0528 8.7657 112.6159 43.9584 0.0000 174.5081 39 E 3.9352 8.6735 118.4161 58.7415 29.4341 178.0616 40 N 4.8741 7.9361 113.3781 52.9361 39.5496 175.0693 41 S 4.5762 7.9989 115.9111 58.8189 64.2274 173.3224 42 Q 5.2897 8.7213 120.1741 54.3125 33.2951 174.0612 43 I 5.1182 9.0048 114.4377 58.9086 41.8857 174.6337 44 C 4.6292 8.9295 120.6256 60.1635 28.6787 175.0418 45 D 4.9842 9.2966 123.5414 56.0815 39.2410 178.0964 46 T 4.1856 7.8539 108.7334 63.5426 69.1780 174.5195 47 H 4.4189 8.1727 119.4364 56.3966 29.0678 174.7513 48 F 4.9107 7.9590 118.3143 55.7080 41.3318 174.9285 49 N 4.9861 9.1188 120.2267 52.1510 39.7059 176.4541 50 D 4.8628 8.5914 119.3546 56.5477 41.1422 178.5392 51 S 4.1364 8.1191 112.7826 60.0592 63.5023 174.6342 52 Q 4.3106 8.3452 119.9116 55.5725 28.8996 174.5426 53 W 4.8264 7.2588 118.3708 54.6036 30.7803 176.6105 54 K 4.3357 8.7413 123.1002 56.4835 32.2942 176.8293 55 A 4.3602 8.4465 124.3366 51.5617 19.8539 176.6969 56 A 4.2933 8.1351 122.4895 51.0053 20.5614 177.5222 *59 K 4.3092 8.3653 117.1282 56.4960 33.7939 177.4509 60 G 3.8796 8.1816 108.2506 45.9569 0.0000 174.0841 61 Q 4.0367 7.9731 119.1760 54.9175 28.3868 179.6884 62 T 4.8345 8.1763 117.6977 59.1428 69.9362 173.0785 63 F 4.7661 8.6186 124.5951 55.7594 42.3463 175.1984 64 K 4.4141 8.7164 122.0432 57.0710 33.1626 177.2296 65 R 4.6670 7.8491 116.6697 54.1667 33.2992 174.8659 66 R 4.2411 8.7109 122.3225 55.9154 31.1030 175.8925 67 R 4.8652 8.3752 120.7354 54.1459 33.3527 175.4463 68 L 3.9281 8.3238 122.6402 54.0797 42.7147 176.5815 69 N 4.2457 8.6502 118.9473 53.9259 38.9802 176.4049 70 A 3.9124 8.8904 127.8838 55.7568 18.7240 178.9224 71 D 4.5578 7.9830 112.3153 54.2580 40.4002 180.5149 72 A 4.1161 7.8579 121.9394 52.9175 18.7601 177.0558 73 V 3.8383 7.9809 122.1964 59.8238 34.1287 173.6384 74 P 3.4432 0.0000 0.0000 62.0377 31.9004 175.1715 75 S 4.4790 7.8737 113.5924 56.0641 64.6888 174.1814 76 K 3.5712 8.2805 127.2750 58.6164 32.4176 177.9227 *77 V 3.9330 7.6454 119.9185 61.6789 32.2448 180.5844 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 M 8.30 4.44 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 2 K 8.50 4.07 0.00 2.08 1.79 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.54 7.81 3 Y 8.86 5.08 0.00 3.03 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 4 C 8.18 4.66 0.00 3.05 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.04 4.09 0.00 1.87 1.95 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.53 7.81 6 F 8.22 4.46 0.00 2.91 2.97 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 0.00 0.00 0.00 7 C 7.92 3.80 0.00 2.86 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 8 C 7.81 3.90 0.00 3.03 3.02 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 9 K 6.83 4.84 0.00 1.78 1.83 0.00 1.48 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.36 7.81 10 A 8.79 4.81 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 V 8.78 4.72 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 0.76 0.00 0.00 0.95 0.00 0.00 12 T 7.93 4.58 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 1.23 0.00 0.00 13 G 8.94 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 14 V 7.14 4.54 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 0.96 0.00 0.00 15 K 8.42 4.54 0.00 1.84 1.75 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.34 7.81 16 L 8.49 5.08 0.00 1.58 1.65 1.04 0.87 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 17 I 8.87 4.82 2.32 0.00 0.00 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 1.51 1.32 1.14 0.00 0.00 18 H 9.04 4.98 0.00 3.07 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.11 3.36 1.78 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 0.89 0.00 0.00 0.97 0.00 0.00 20 P 0.00 4.04 0.00 1.62 1.64 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.90 0.00 21 K 8.41 3.93 0.00 1.90 1.77 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.00 7.81 22 C 7.86 4.13 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.60 3.98 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 24 I 7.72 3.80 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 1.49 1.29 0.91 0.00 0.00 25 K 7.90 4.01 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 26 R 8.23 3.77 0.00 1.88 1.85 0.00 3.10 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 27 K 7.98 4.16 0.00 2.05 1.99 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.55 7.81 28 L 7.82 4.05 0.00 2.11 1.93 0.96 1.26 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 29 W 8.32 4.16 0.00 3.43 3.23 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 0.00 30 E 8.29 4.26 0.00 2.29 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 0.00 2.53 2.48 0.00 31 Q 8.12 4.06 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 32 S 8.09 4.14 0.00 3.77 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 33 L 7.92 4.11 0.00 1.64 1.41 0.66 -0.15 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 34 G 9.09 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 35 C 7.76 4.92 0.00 3.14 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 36 S 8.42 4.68 0.00 4.03 3.94 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 0.00 0.00 0.00 37 L 9.17 4.76 0.00 1.60 1.62 1.14 0.91 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 38 G 8.77 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 39 E 8.67 3.94 0.00 1.96 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 0.00 2.28 2.31 0.00 40 N 7.94 4.87 0.00 2.73 2.87 0.00 0.00 6.95 7.57 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 41 S 8.00 4.58 0.00 3.94 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 42 Q 8.72 5.29 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 43 I 9.00 5.12 2.03 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 1.58 1.59 1.09 0.00 0.00 44 C 8.93 4.63 0.00 2.85 2.90 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 45 D 9.30 4.98 0.00 3.27 3.27 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 46 T 7.85 4.19 4.22 0.00 0.00 0.00 0.00 0.00 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 47 H 8.17 4.42 0.00 2.94 2.87 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.96 4.91 0.00 3.31 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 49 N 9.12 4.99 0.00 2.84 2.77 0.00 0.00 7.36 7.63 0.00 0.00 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 D 8.59 4.86 0.00 2.76 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 51 S 8.12 4.14 0.00 3.99 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 52 Q 8.35 4.31 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 53 W 7.26 4.83 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 54 K 8.74 4.34 0.00 1.72 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.44 7.81 55 A 8.45 4.36 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.29 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 *59 K 8.37 4.31 0.00 1.80 1.95 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 60 G 8.18 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 61 Q 7.97 4.04 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 62 T 8.18 4.83 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 1.13 0.00 0.00 63 F 8.62 4.77 0.00 3.02 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 64 K 8.72 4.41 0.00 2.03 1.89 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.01 7.81 65 R 7.85 4.67 0.00 1.85 1.88 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 66 R 8.71 4.24 0.00 1.80 1.88 0.00 2.60 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 67 R 8.38 4.87 0.00 1.74 1.82 0.00 3.38 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 68 L 8.32 3.93 0.00 1.21 1.11 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.65 4.25 0.00 2.55 2.71 0.00 0.00 7.06 7.68 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 70 A 8.89 3.91 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 71 D 7.98 4.56 0.00 2.71 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 72 A 7.86 4.12 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.98 3.84 1.95 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 0.64 0.00 0.00 1.07 0.00 0.00 74 P 0.00 3.44 0.00 1.28 0.49 0.00 2.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 0.00 75 S 7.87 4.48 0.00 3.56 3.53 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 76 K 8.28 3.57 0.00 1.63 1.77 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.58 1.53 7.81 *77 V 7.65 3.93 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.