NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.5947 8.3149 120.0884 56.6690 33.6607 174.6103 2 T 4.5027 8.8546 122.0053 61.5706 71.2851 171.9410 3 I 4.9284 9.3124 127.4287 60.0622 39.8239 174.2757 4 F 5.1874 9.3419 126.0489 55.7719 41.7414 174.9886 5 V 4.6996 9.1041 123.8773 61.5608 33.2662 174.0649 6 I 5.0608 9.1463 130.2701 59.8885 39.4270 175.7336 7 V 4.8149 8.5745 125.9352 58.8121 32.7234 173.2386 8 P 4.5990 0.0000 0.0000 63.3505 31.8641 177.6788 9 T 4.3733 9.1852 112.0028 62.8750 69.5868 174.1644 10 N 4.9622 7.5594 119.0182 50.9161 41.4798 174.6557 11 E 4.0768 8.7211 118.8906 59.3535 29.3546 179.2886 12 E 4.0126 8.2115 118.5069 59.6079 29.5667 179.1979 13 Q 4.1420 8.0835 117.5831 58.6405 28.9416 178.4849 14 V 3.6670 7.7723 119.0647 66.0073 31.6099 177.9789 15 A 4.0110 8.3377 120.6538 55.0406 18.1651 179.1758 16 F 4.1111 8.5304 119.3443 61.7209 39.4853 177.4490 17 L 4.1681 8.2463 118.4402 57.8070 41.1974 179.3822 18 E 3.6992 8.1258 117.6120 59.0876 29.6692 178.9240 19 A 3.9876 7.8845 120.7430 55.1242 18.4866 179.3616 20 L 3.7403 7.7486 118.7504 58.1957 41.8928 178.7251 21 A 3.4952 7.2544 118.7292 53.5021 18.1569 178.9364 22 K 4.1443 7.4537 115.9349 57.0902 33.3865 177.6520 23 Q 4.3548 7.4520 119.8530 54.1740 27.5662 175.8817 24 D 4.4096 8.1344 123.2061 56.8026 41.3184 178.6722 25 E 4.0644 7.8819 117.1604 58.3622 29.6562 177.9655 26 L 3.6784 7.3795 117.9699 55.4371 41.6274 176.7720 27 N 4.2697 7.6887 114.6055 54.1927 36.4401 174.1785 28 F 4.5969 8.2315 115.4254 56.9357 40.2475 175.4851 29 D 4.8911 8.6076 124.9593 52.4133 42.0723 174.5439 30 W 4.5299 8.9073 125.7236 56.3469 29.0722 176.5209 31 Q 4.4460 9.3336 126.0708 58.0432 28.8887 176.3132 32 N 5.1299 8.0347 113.7352 50.2764 40.4427 172.1891 33 P 4.6582 0.0000 0.0000 61.6226 32.4362 174.4546 34 P 4.5658 0.0000 0.0000 62.9926 31.2761 174.8421 35 T 4.5179 7.8980 108.1582 62.0911 71.6489 173.5725 36 E 4.7878 7.5269 118.8232 52.4596 34.1609 173.2126 37 P 4.5665 0.0000 0.0000 64.7552 31.6008 177.3223 38 G 3.9665 9.2867 111.8070 45.3825 0.0000 173.3232 39 Q 4.3090 7.6398 119.0896 54.2794 29.1250 174.1581 40 P 4.7541 0.0000 0.0000 62.9205 32.5471 176.0304 41 V 4.4869 9.1450 122.1842 61.2564 34.8068 174.1526 42 V 4.8065 8.9583 128.0853 61.3410 33.6103 174.4140 43 I 4.8680 8.5027 127.8333 59.4497 41.2510 174.1527 44 L 4.8712 8.7830 127.0260 53.5510 43.4349 175.5448 45 I 4.2908 8.6476 124.8997 58.3634 40.0001 173.5809 46 P 4.6065 0.0000 0.0000 62.4364 31.9141 177.4245 47 S 4.2449 9.0516 118.4219 61.7040 62.7857 175.0540 48 D 4.6346 7.2803 119.9369 53.4655 39.4852 177.8363 *50 V 4.3813 7.8943 114.4054 62.7556 34.1698 177.9642 51 E 4.0651 8.3100 119.5021 58.9081 29.2632 178.3684 52 W 4.2174 8.3412 127.0466 60.6027 30.9187 177.2799 53 F 4.3570 8.4875 118.7371 61.1338 39.1051 176.3026 54 L 3.9091 8.3600 119.1103 58.0832 41.4701 181.0841 55 E 4.1498 7.7824 114.9728 56.7979 29.2628 179.0954 *57 L 4.0191 7.8859 120.8363 54.6603 43.3258 179.1938 58 K 3.8956 8.1824 119.5069 59.3727 32.2523 178.6757 59 A 4.0126 7.8982 120.6779 54.5019 18.3447 178.1749 60 K 4.0285 7.7130 112.6718 55.9927 32.5018 176.9209 61 G 3.8126 7.5046 106.0038 46.4952 0.0000 173.4072 62 I 4.3691 7.7310 120.9447 58.8828 38.2916 174.4946 63 P 4.5774 0.0000 0.0000 62.8189 32.4715 175.3344 64 F 5.3237 7.7226 116.4274 56.6568 40.7334 173.1224 65 T 4.5880 8.9368 115.3673 61.8099 72.5722 173.2236 66 V 4.6207 8.2273 124.5702 61.3371 33.9180 174.3029 67 Y 4.7394 9.0727 124.2396 56.2902 41.5895 174.9436 68 V 4.8510 8.2711 115.2245 58.8667 35.6691 175.1619 69 E 3.9179 8.8615 123.0318 56.2797 29.9014 176.5862 70 E 3.8413 9.0089 124.9771 57.9937 29.8479 177.2763 71 G 4.0019 8.7275 114.1069 46.8286 0.0000 172.0860 72 G 4.3558 7.7215 109.2150 43.3912 0.0000 174.1445 73 S 4.3001 8.5662 113.8182 58.6117 63.2756 173.8599 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 K 8.31 4.59 0.00 1.67 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.49 7.81 2 T 8.85 4.50 4.41 0.00 0.00 0.00 0.00 0.00 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 3 I 9.31 4.93 1.93 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 1.23 0.80 0.86 0.00 0.00 4 F 9.34 5.19 0.00 2.96 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 5 V 9.10 4.70 2.26 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 1.02 0.00 0.00 0.79 0.00 0.00 6 I 9.15 5.06 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 1.12 0.00 0.00 7 V 8.57 4.81 2.13 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 0.78 0.00 0.00 0.97 0.00 0.00 8 P 0.00 4.60 0.00 2.33 2.35 0.00 3.91 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 9 T 9.19 4.37 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 1.23 0.00 0.00 10 N 7.56 4.96 0.00 2.94 2.95 0.00 0.00 6.29 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 11 E 8.72 4.08 0.00 2.03 2.07 0.00 0.00 0.00 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 2.36 0.00 12 E 8.21 4.01 0.00 2.00 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 2.43 2.37 0.00 13 Q 8.08 4.14 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 14 V 7.77 3.67 2.28 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 1.11 0.00 0.00 1.06 0.00 0.00 15 A 8.34 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.53 4.11 0.00 3.21 3.36 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 17 L 8.25 4.17 0.00 2.10 2.11 1.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.13 3.70 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 19 A 7.88 3.99 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 20 L 7.75 3.74 0.00 1.43 1.90 1.02 1.85 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 21 A 7.25 3.50 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.14 0.00 1.81 1.76 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.50 7.81 23 Q 7.45 4.35 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 24 D 8.13 4.41 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 25 E 7.88 4.06 0.00 1.79 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 2.23 2.32 0.00 26 L 7.38 3.68 0.00 0.97 0.37 0.30 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.69 4.27 0.00 2.90 2.94 0.00 0.00 6.98 6.73 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 28 F 8.23 4.60 0.00 2.96 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 29 D 8.61 4.89 0.00 2.76 2.54 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 0.00 0.00 0.00 0.00 30 W 8.91 4.53 0.00 3.23 3.28 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 31 Q 9.33 4.45 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 32 N 8.03 5.13 0.00 2.83 2.79 0.00 0.00 6.05 7.75 0.00 0.00 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 P 0.00 4.66 0.00 2.21 2.08 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 34 P 0.00 4.57 0.00 2.14 2.19 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 35 T 7.90 4.52 4.27 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 1.25 0.00 0.00 36 E 7.53 4.79 0.00 1.98 1.84 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 2.31 2.27 0.00 37 P 0.00 4.57 0.00 2.06 2.11 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 38 G 9.29 3.97 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 0.00 0.00 0.00 39 Q 7.64 4.31 0.00 2.33 2.12 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 2.41 2.40 0.00 40 P 0.00 4.75 0.00 1.97 2.03 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 41 V 9.15 4.49 2.25 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 1.30 0.00 0.00 1.16 0.00 0.00 42 V 8.96 4.81 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 0.90 0.00 0.00 0.92 0.00 0.00 43 I 8.50 4.87 1.47 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.28 -0.02 0.00 0.00 44 L 8.78 4.87 0.00 1.57 1.54 0.90 0.50 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 45 I 8.65 4.29 1.99 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.39 0.51 0.00 0.00 46 P 0.00 4.61 0.00 2.28 1.99 0.00 3.58 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 2.19 2.18 0.00 47 S 9.05 4.24 0.00 4.00 4.06 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 48 D 7.28 4.63 0.00 2.78 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 V 7.89 4.38 2.26 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 0.90 0.00 0.00 1.07 0.00 0.00 51 E 8.31 4.07 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 52 W 8.34 4.22 0.00 3.39 3.39 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 53 F 8.49 4.36 0.00 3.02 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 54 L 8.36 3.91 0.00 2.07 1.74 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.78 4.15 0.00 1.98 1.86 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 2.59 2.49 0.00 *57 L 7.89 4.02 0.00 1.47 1.52 0.53 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.18 3.90 0.00 1.88 2.05 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 59 A 7.90 4.01 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 60 K 7.71 4.03 0.00 1.45 1.53 0.00 1.30 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.94 0.21 7.81 61 G 7.50 3.81 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 0.00 0.00 0.00 62 I 7.73 4.37 1.88 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 1.47 0.74 1.02 0.00 0.00 63 P 0.00 4.58 0.00 2.19 1.93 0.00 3.86 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 64 F 7.72 5.32 0.00 3.11 3.04 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 0.00 0.00 0.00 65 T 8.94 4.59 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 66 V 8.23 4.62 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 0.53 0.00 0.00 0.30 0.00 0.00 67 Y 9.07 4.74 0.00 2.85 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 68 V 8.27 4.85 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 0.67 0.00 0.00 0.92 0.00 0.00 69 E 8.86 3.92 0.00 1.94 1.88 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 2.31 2.36 0.00 70 E 9.01 3.84 0.00 2.01 1.93 0.00 0.00 0.00 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 2.29 0.00 71 G 8.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 4.36 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 0.00 73 S 8.57 4.30 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.