NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4616 8.3193 115.4193 57.9009 64.3463 172.7885 3 S 4.3221 8.2606 115.7556 57.4460 64.0928 172.2974 4 N 4.9392 9.3919 119.0943 53.6490 40.3778 174.8033 5 Y 4.9984 9.1200 117.5153 56.2233 42.3913 174.9337 6 V 4.7856 8.8034 121.3730 61.2650 34.1903 174.6705 7 L 4.8431 9.1703 128.0518 53.4194 44.3797 175.0843 8 H 5.4816 8.9510 120.4796 54.2832 31.1063 174.4147 9 T 4.8345 8.7983 114.8243 61.2182 70.1602 174.3877 10 N 4.7851 8.8892 118.3198 53.1252 38.9657 175.7512 11 D 4.7802 8.0114 117.6265 53.0242 39.7445 176.9882 12 G 3.8900 8.4226 105.8393 46.1885 0.0000 173.8600 13 R 4.6469 8.3298 119.0158 54.8874 32.7336 175.3654 14 T 5.0580 8.3873 117.6288 61.9380 71.0887 173.5692 15 I 4.5673 9.0087 127.3351 59.3981 40.6361 174.6473 16 V 4.6833 8.3667 125.7317 61.5031 33.4400 174.2058 17 A 5.1641 8.8604 129.0481 50.1701 21.5462 177.0420 18 E 4.1769 9.4862 121.1936 59.1480 30.2863 176.7169 19 G 4.2835 7.7433 104.0771 44.4104 0.0000 172.0431 20 K 2.4800 8.3607 121.0387 55.3095 32.2783 174.8290 21 P 4.7160 0.0000 0.0000 62.7111 32.2601 175.8247 22 K 4.6718 8.6889 120.9610 54.6007 37.1524 175.7500 23 V 3.9080 8.3247 122.8116 63.0998 32.4685 174.9642 24 D 4.6276 8.6581 127.7499 52.9944 41.3510 176.2164 25 D 4.1184 8.9607 126.8611 57.1043 41.3431 177.2039 26 E 4.2656 8.5491 117.5985 57.7815 29.8204 177.2990 27 T 4.3790 7.8366 106.6876 60.4638 71.0593 173.8850 28 G 3.5344 8.5907 109.6525 45.9218 0.0000 173.8102 *30 I 4.0721 7.4605 118.4678 61.0498 39.2067 175.7009 31 S 5.3379 9.1038 122.8834 57.1818 64.6488 172.4025 32 Y 4.9983 8.4310 123.3132 56.8252 42.1212 172.8967 33 T 4.9645 8.4613 115.8370 61.6209 71.3950 174.8281 34 D 5.2986 8.9963 125.9815 51.8154 40.6997 176.9836 35 A 3.9141 8.3651 121.1802 55.0795 18.2098 177.9607 36 Y 4.3743 8.1214 111.8223 58.2842 38.2392 176.4672 37 G 3.9015 8.4049 108.3723 45.6081 0.0000 172.9087 38 Q 4.4633 8.0151 120.3529 54.1355 30.4023 174.4777 39 Q 4.5604 8.4915 124.2580 56.0206 29.3757 175.3678 40 Q 4.6159 8.9646 122.4380 54.0997 33.1270 174.4277 41 Q 5.0050 8.2914 118.2260 54.4570 32.8495 174.4019 42 I 4.7197 8.9044 122.8792 58.7345 41.5363 174.5642 43 N 4.3645 8.9148 127.0637 53.7015 39.4466 175.8649 44 R 3.9450 8.7349 121.9770 59.2345 29.6744 178.2523 45 D 4.4409 8.7229 117.8723 56.2146 40.9774 176.2985 46 N 4.6485 8.3751 117.2732 52.9590 39.0815 173.6732 47 V 4.4207 7.5039 117.4034 61.6210 32.4002 174.9880 48 K 4.2117 8.9005 129.7140 59.0989 32.8069 175.7460 49 E 4.4947 7.5244 116.8731 55.3368 33.9229 173.3271 *51 A 4.2821 8.5220 120.5428 52.4411 20.3595 176.5271 52 K 3.1251 8.3730 123.0714 56.3707 33.1202 177.0109 53 G 3.8899 8.6440 114.8699 45.7840 0.0000 173.1244 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 2 S 8.32 4.46 0.00 4.11 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 3 S 8.26 4.32 0.00 3.89 3.86 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 0.00 0.00 0.00 4 N 9.39 4.94 0.00 2.64 2.85 0.00 0.00 6.58 7.48 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 5 Y 9.12 5.00 0.00 2.78 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 6 V 8.80 4.79 2.03 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 0.80 0.00 0.00 0.93 0.00 0.00 7 L 9.17 4.84 0.00 1.46 1.43 0.60 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.95 5.48 0.00 3.03 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.80 4.83 4.48 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 1.22 0.00 0.00 10 N 8.89 4.79 0.00 2.62 2.89 0.00 0.00 6.81 8.58 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 11 D 8.01 4.78 0.00 2.73 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 12 G 8.42 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 0.00 0.00 0.00 13 R 8.33 4.65 0.00 1.76 1.86 0.00 3.10 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 14 T 8.39 5.06 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 1.24 0.00 0.00 15 I 9.01 4.57 1.71 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 1.14 0.85 0.88 0.00 0.00 16 V 8.37 4.68 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 0.96 0.00 0.00 0.91 0.00 0.00 17 A 8.86 5.16 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 18 E 9.49 4.18 0.00 1.89 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 2.37 2.63 0.00 19 G 7.74 4.28 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 0.00 20 K 8.36 2.48 0.00 1.15 1.47 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.10 0.88 7.81 21 P 0.00 4.72 0.00 1.86 1.93 0.00 3.26 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 22 K 8.69 4.67 0.00 1.65 1.60 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.49 7.81 23 V 8.32 3.91 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 0.73 0.00 0.00 0.93 0.00 0.00 24 D 8.66 4.63 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.12 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.55 4.27 0.00 2.13 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 2.33 2.24 0.00 27 T 7.84 4.38 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 1.25 0.00 0.00 28 G 8.59 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 0.00 0.00 0.00 *30 I 7.46 4.07 2.04 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 1.24 0.65 0.96 0.00 0.00 31 S 9.10 5.34 0.00 3.84 3.83 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 32 Y 8.43 5.00 0.00 3.02 2.98 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 33 T 8.46 4.96 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 1.29 0.00 0.00 34 D 9.00 5.30 0.00 3.06 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 35 A 8.37 3.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.12 4.37 0.00 3.17 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 37 G 8.40 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 Q 8.02 4.46 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 39 Q 8.49 4.56 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 40 Q 8.96 4.62 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 41 Q 8.29 5.01 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 42 I 8.90 4.72 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.94 1.10 0.00 0.00 43 N 8.91 4.36 0.00 2.78 2.71 0.00 0.00 6.92 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.73 3.95 0.00 2.03 2.19 0.00 3.14 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 45 D 8.72 4.44 0.00 2.77 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 46 N 8.38 4.65 0.00 2.75 2.86 0.00 0.00 6.51 8.01 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 47 V 7.50 4.42 2.19 0.00 0.00 0.00 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 48 K 8.90 4.21 0.00 1.99 1.98 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 49 E 7.52 4.49 0.00 1.88 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 2.30 2.33 0.00 *51 A 8.52 4.28 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.13 0.00 1.34 1.47 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.99 0.39 7.81 53 G 8.64 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.