NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3758 8.3349 116.7967 58.3871 64.5044 172.6176 3 S 4.4061 8.3546 117.6312 57.4617 64.0341 171.8490 4 N 5.3412 9.3844 124.4062 52.2225 40.7442 173.7778 5 Y 5.1028 9.0367 120.3990 56.0890 42.5885 174.6262 6 V 4.8227 9.0470 120.5556 61.3119 34.4366 174.5601 7 L 4.8073 9.0548 128.0121 53.4550 44.1819 175.0380 8 H 5.3409 9.1671 121.0701 54.3871 31.3086 174.5822 9 T 4.7928 8.3918 114.4270 60.3097 70.9124 175.8879 10 N 4.3097 8.9094 119.5848 56.6365 38.4467 176.4842 11 D 4.5386 8.0216 113.6420 53.6601 39.3276 177.0287 12 G 3.9488 8.0052 107.6865 45.4380 0.0000 174.3237 13 R 4.2321 7.8701 118.4527 56.4448 31.7054 176.0400 14 T 4.6040 8.2977 116.4819 62.1795 71.5724 173.3507 15 I 4.4741 8.7466 128.3730 59.3015 39.8743 175.3146 16 V 4.4410 8.3555 126.4515 62.2278 33.0893 174.3529 17 A 5.0975 9.2375 129.1989 50.2876 22.4370 174.8687 18 E 4.6444 9.3644 122.3844 58.5205 30.0124 176.6069 19 G 4.0608 9.3657 112.3044 44.3889 0.0000 172.1254 20 K 2.9462 8.2465 121.6915 54.9702 32.5618 175.0984 21 P 4.6848 0.0000 0.0000 62.8253 32.1122 175.8599 22 K 4.6724 8.8532 121.3051 54.5311 37.0866 175.8447 23 V 3.8942 8.3853 122.8501 63.1897 32.5357 174.8237 24 D 4.7487 8.5849 127.2748 52.8281 41.6979 176.6974 25 D 4.3435 8.9030 126.8911 56.9165 41.1545 177.8936 26 E 4.1730 8.8626 119.1360 58.3122 29.6881 177.6547 27 T 4.2974 8.1130 107.0160 60.7398 70.7784 174.1173 28 G 3.5204 8.4851 109.4977 46.0238 0.0000 173.7332 *30 I 4.0673 7.4235 118.2773 61.0297 39.3022 175.7409 31 S 5.3537 9.1797 122.7129 57.1583 64.4963 172.3547 32 Y 5.0951 8.7643 123.5092 56.6143 42.0695 173.0671 33 T 4.9228 8.4794 116.5706 61.7512 71.2356 174.8924 34 D 5.2838 8.9881 125.7669 51.6961 40.7993 176.7625 35 A 4.0608 8.4425 120.5033 54.0596 18.0877 177.4857 36 Y 4.5958 8.6951 112.7892 57.2742 38.5627 176.9555 37 G 3.9404 8.3340 108.0737 45.4568 0.0000 173.7278 38 Q 4.2525 7.9180 121.2074 55.0652 30.0405 174.3343 39 Q 4.5620 8.4822 124.1824 55.8677 29.3622 175.3197 40 Q 4.6327 8.9157 122.8094 54.0719 32.8554 174.5908 41 Q 5.1125 8.3081 118.3774 54.4801 32.8312 174.3781 42 I 4.7290 8.8776 122.9413 58.7443 41.5082 174.5658 43 N 4.3848 8.8591 126.7634 53.7658 39.6028 175.6750 44 R 3.9361 8.8630 124.3620 59.6638 30.3207 178.4021 45 D 4.5047 8.6314 116.3093 56.3746 40.9611 176.6580 46 N 4.6428 8.4226 116.3210 52.9606 39.1157 174.2937 47 V 4.4079 7.3864 119.4508 61.0588 32.7014 175.0166 48 K 4.1532 9.0078 129.9035 59.2422 32.4634 175.9192 49 E 4.4943 7.5469 117.5840 55.3058 33.8859 173.5472 *51 A 4.4080 8.5284 120.6737 52.5473 20.5676 176.3712 52 K 3.7129 8.9488 121.2480 54.0788 33.1067 177.1898 53 G 3.3578 8.2116 114.9016 45.3892 0.0000 172.4272 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 8.33 4.38 0.00 3.90 3.93 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 0.00 0.00 0.00 3 S 8.35 4.41 0.00 4.05 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 4 N 9.38 5.34 0.00 2.56 2.70 0.00 0.00 6.85 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 9.04 5.10 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.82 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 0.62 0.00 0.00 0.90 0.00 0.00 7 L 9.05 4.81 0.00 1.40 1.40 0.52 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.17 5.34 0.00 3.08 3.21 0.00 5.80 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 8.39 4.79 4.34 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 1.19 0.00 0.00 10 N 8.91 4.31 0.00 2.73 2.93 0.00 0.00 7.05 8.60 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 11 D 8.02 4.54 0.00 2.77 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 12 G 8.01 3.95 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 0.00 0.00 0.00 13 R 7.87 4.23 0.00 1.81 1.86 0.00 3.10 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 14 T 8.30 4.60 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 I 8.75 4.47 1.70 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 0.68 0.96 0.00 0.00 16 V 8.36 4.44 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 0.94 0.00 0.00 0.90 0.00 0.00 17 A 9.24 5.10 1.29 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 18 E 9.36 4.64 0.00 1.85 1.97 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 2.27 2.26 0.00 19 G 9.37 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 0.00 0.00 0.00 20 K 8.25 2.95 0.00 1.45 1.57 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.06 0.71 7.81 21 P 0.00 4.68 0.00 1.84 1.92 0.00 3.11 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.02 0.00 22 K 8.85 4.67 0.00 1.64 1.60 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.52 7.81 23 V 8.39 3.89 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 8.58 4.75 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 25 D 8.90 4.34 0.00 2.70 2.72 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 26 E 8.86 4.17 0.00 2.11 2.00 0.00 0.00 0.00 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 2.24 0.00 27 T 8.11 4.30 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 8.49 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.07 2.02 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 1.23 0.71 0.94 0.00 0.00 31 S 9.18 5.35 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 32 Y 8.76 5.10 0.00 2.99 2.94 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 33 T 8.48 4.92 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 34 D 8.99 5.28 0.00 3.05 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 35 A 8.44 4.06 0.95 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 0.00 0.00 36 Y 8.70 4.60 0.00 3.09 2.93 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 0.00 0.00 0.00 37 G 8.33 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 0.00 0.00 0.00 38 Q 7.92 4.25 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 39 Q 8.48 4.56 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 40 Q 8.92 4.63 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 41 Q 8.31 5.11 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 42 I 8.88 4.73 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.93 1.05 0.00 0.00 43 N 8.86 4.38 0.00 2.78 2.70 0.00 0.00 7.16 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 8.86 3.94 0.00 1.91 1.98 0.00 3.22 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 45 D 8.63 4.50 0.00 2.75 2.73 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 46 N 8.42 4.64 0.00 2.91 2.84 0.00 0.00 6.33 7.91 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 47 V 7.39 4.41 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 0.72 0.00 0.00 0.95 0.00 0.00 48 K 9.01 4.15 0.00 1.80 1.96 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 49 E 7.55 4.49 0.00 1.87 1.80 0.00 0.00 0.00 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 2.29 0.00 *51 A 8.53 4.41 1.29 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 52 K 8.95 3.71 0.00 1.36 1.48 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.01 0.42 7.81 53 G 8.21 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.