NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1475 8.3149 119.9071 57.2358 34.2620 176.3262 2 Y 4.6554 7.9091 117.2266 56.7830 39.4349 173.2832 3 I 4.9366 7.4382 118.2255 57.9673 41.7398 175.2054 4 C 4.0971 8.6789 126.4140 59.6790 31.5819 174.2303 5 E 4.1013 8.7856 126.4491 58.3290 28.9169 177.0609 6 E 4.2431 7.4805 119.4479 58.3275 30.5576 176.8430 7 C 4.2323 7.9513 117.9367 61.5106 28.7535 175.2016 8 G 4.3364 8.3037 105.7136 46.0135 0.0000 173.0313 9 I 3.7167 7.7358 119.5581 60.7954 38.5174 174.9349 10 R 4.7368 8.1658 126.1980 54.5844 32.2155 175.8264 *12 K 4.3821 8.3470 120.1904 55.8428 34.2923 177.1617 13 K 4.1249 7.4025 118.1061 54.6633 34.5041 174.8966 14 P 4.0805 0.0000 0.0000 65.3302 31.0891 178.9639 15 S 3.9893 7.7461 113.6776 60.8920 63.1303 176.6504 16 M 3.9954 7.8671 121.8052 58.0145 31.8823 178.2470 17 L 3.9488 8.0446 120.3805 58.2337 42.2161 178.8049 18 K 4.1159 8.6100 119.4963 59.6512 32.3523 178.1810 19 K 4.1519 8.0040 118.4439 59.4690 32.0506 178.6442 20 H 4.0242 8.0794 118.5069 59.5161 29.6874 177.0101 21 I 3.8254 8.3929 120.5998 64.3032 37.5715 177.8326 22 R 4.1049 7.6212 117.4747 58.7859 30.1562 178.6549 23 T 4.0689 8.0194 116.1232 66.3345 68.1033 175.7567 24 H 4.4425 7.6892 114.9573 56.6476 29.9210 175.0054 25 T 4.4229 7.7615 112.5074 61.9490 66.7546 176.2633 26 D 4.6548 8.9252 114.8084 53.7749 42.6651 175.4222 27 V 4.2075 7.2858 116.7981 62.0169 31.4425 177.8061 28 R 4.5394 7.3328 119.4540 54.3581 30.1514 174.3475 29 P 4.1547 0.0000 0.0000 65.1386 31.8566 177.3847 30 Y 4.4920 7.2098 116.5089 57.8959 37.1452 173.3793 31 H 5.3607 8.3686 120.2876 53.8072 30.7565 174.5681 32 C 4.4659 8.8087 122.7174 59.9362 32.7463 173.8839 33 T 4.4364 8.7155 119.2901 64.1239 67.7785 174.5741 34 Y 4.5798 7.7101 118.6122 59.7403 42.0833 176.7592 35 C 4.5385 8.1631 116.1692 59.9240 29.3218 173.0868 36 N 4.8446 8.6364 117.1839 53.6991 39.2217 174.1930 37 F 4.3367 7.8699 119.6140 58.4230 41.2438 173.6057 38 S 4.9377 6.3931 115.4684 57.1155 65.3256 172.3167 39 F 4.9959 9.2531 120.1238 55.6173 42.8844 176.1540 40 K 4.3391 9.0822 120.8124 57.7760 32.1323 176.5670 41 T 4.7974 7.6492 107.6534 59.1811 71.7792 174.5570 42 K 3.3100 7.9079 122.3539 58.3263 32.2569 179.1661 43 G 3.4651 7.7409 106.0074 48.1258 0.0000 175.0452 44 N 4.1424 7.5088 118.7993 55.6371 38.7186 176.7611 45 L 3.3941 6.7899 121.8673 58.5534 42.0593 179.0827 46 T 3.7452 7.5884 115.1071 66.6862 68.1798 176.4930 47 K 3.9053 7.5025 120.3957 59.3222 32.2608 177.8101 48 H 4.4278 7.9790 117.4210 58.0674 28.5738 176.2768 49 M 4.1253 7.5982 119.6051 57.1792 32.1031 178.0301 50 K 4.1482 8.1531 119.6912 58.3496 32.8540 177.3228 51 S 4.2082 6.8391 112.6093 57.8819 62.8347 174.4242 52 K 4.0953 8.4254 121.8192 57.1779 31.9489 177.8679 53 A 3.7172 7.2964 121.4222 55.4419 17.9158 179.0080 54 H 4.5747 7.3847 117.8943 52.9307 30.0187 174.0062 55 S 4.5431 7.6201 123.2754 57.7291 62.9485 174.5823 56 K 4.3272 7.6397 123.0984 55.4053 31.9819 177.5985 57 K 4.0666 8.0107 124.2332 57.0050 31.9833 175.8077 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 4.15 0.00 1.73 1.75 0.00 1.44 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.17 7.81 2 Y 7.91 4.66 0.00 3.05 2.87 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 3 I 7.44 4.94 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 1.31 1.75 0.96 0.00 0.00 4 C 8.68 4.10 0.00 2.90 2.86 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 5 E 8.79 4.10 0.00 1.99 1.99 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 2.30 2.23 0.00 6 E 7.48 4.24 0.00 1.82 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 2.23 2.41 0.00 7 C 7.95 4.23 0.00 3.09 3.05 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 8 G 8.30 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 0.00 0.00 0.00 0.00 9 I 7.74 3.72 1.78 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 1.32 1.20 0.68 0.00 0.00 10 R 8.17 4.74 0.00 1.80 1.79 0.00 3.34 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 *12 K 8.35 4.38 0.00 1.77 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 13 K 7.40 4.12 0.00 1.64 1.57 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.35 7.81 14 P 0.00 4.08 0.00 2.24 2.27 0.00 3.53 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 15 S 7.75 3.99 0.00 4.06 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 0.00 16 M 7.87 4.00 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 17 L 8.04 3.95 0.00 1.86 1.82 1.02 0.64 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 18 K 8.61 4.12 0.00 1.81 1.95 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.57 7.81 19 K 8.00 4.15 0.00 2.12 1.85 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 20 H 8.08 4.02 0.00 3.40 3.47 0.00 5.79 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 21 I 8.39 3.83 1.96 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 1.56 1.11 1.04 0.00 0.00 22 R 7.62 4.10 0.00 2.02 1.98 0.00 3.24 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 23 T 8.02 4.07 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 1.14 0.00 0.00 24 H 7.69 4.44 0.00 3.28 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.76 4.42 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 26 D 8.93 4.65 0.00 2.59 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 27 V 7.29 4.21 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 0.80 0.00 0.00 0.91 0.00 0.00 28 R 7.33 4.54 0.00 1.60 1.79 0.00 2.99 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 29 P 0.00 4.15 0.00 1.67 1.99 0.00 3.34 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.92 0.00 30 Y 7.21 4.49 0.00 3.39 3.05 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 31 H 8.37 5.36 0.00 3.08 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.81 4.47 0.00 3.42 3.08 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 0.00 0.00 0.00 0.00 33 T 8.72 4.44 4.07 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 0.00 0.00 1.01 0.00 0.00 34 Y 7.71 4.58 0.00 2.74 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 35 C 8.16 4.54 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 36 N 8.64 4.84 0.00 2.67 2.82 0.00 0.00 6.81 7.01 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 37 F 7.87 4.34 0.00 3.13 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 38 S 6.39 4.94 0.00 3.77 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 39 F 9.25 5.00 0.00 3.22 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 40 K 9.08 4.34 0.00 1.73 1.90 0.00 1.67 0.00 0.00 1.98 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 41 T 7.65 4.80 4.20 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 0.00 0.00 0.00 1.27 0.00 0.00 42 K 7.91 3.31 0.00 1.22 1.55 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.25 7.81 43 G 7.74 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.51 4.14 0.00 2.59 2.63 0.00 0.00 7.06 7.69 0.00 0.00 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 L 6.79 3.39 0.00 1.57 1.58 0.92 0.95 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 46 T 7.59 3.75 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 1.15 0.00 0.00 47 K 7.50 3.91 0.00 1.66 1.84 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 48 H 7.98 4.43 0.00 3.02 3.25 0.00 5.99 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 M 7.60 4.13 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 50 K 8.15 4.15 0.00 1.81 1.78 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.45 7.81 51 S 6.84 4.21 0.00 3.84 3.58 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 52 K 8.43 4.10 0.00 1.86 1.84 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 53 A 7.30 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 7.38 4.57 0.00 2.31 3.02 0.00 5.51 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 55 S 7.62 4.54 0.00 3.70 3.66 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 0.00 0.00 0.00 0.00 56 K 7.64 4.33 0.00 1.83 1.81 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.40 7.81 57 K 8.01 4.07 0.00 1.73 1.72 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.