NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5840 8.2893 120.6162 55.5436 33.1758 174.8545 2 E 4.4625 8.8540 124.3625 55.2828 31.7368 174.1193 3 Q 4.6357 8.8112 119.8388 55.1954 31.9626 176.3922 4 R 5.0562 8.1807 120.5295 55.7827 32.8498 173.9698 5 I 5.0282 8.8262 126.6490 59.4916 41.9886 175.2112 6 T 4.1201 8.2966 113.4103 60.8182 70.0970 175.4333 7 L 3.8734 8.0932 124.7692 58.3381 42.0407 179.4737 8 K 3.9061 7.8869 118.7968 59.8495 32.2769 178.3827 9 D 4.4009 8.9039 119.7426 57.3609 40.5883 178.1304 10 Y 4.0743 8.8668 120.9609 60.4952 38.1903 177.9613 11 A 4.2221 8.6184 123.5455 55.0070 18.3292 179.2110 12 M 4.2164 7.8647 115.9880 58.7498 32.0980 178.8474 13 R 3.7278 7.6082 117.2688 58.9731 30.3929 177.8004 14 F 4.4522 8.1343 115.2035 55.9845 40.2246 175.3557 15 G 4.0936 9.1854 110.5553 46.0099 0.0000 174.6707 16 Q 4.0194 8.7732 122.2751 59.3420 28.7741 180.4023 17 T 3.9687 7.9551 117.0390 66.6121 68.6374 176.9375 18 K 4.1577 8.0794 120.0985 59.8997 32.4361 179.0269 19 T 3.9933 8.1386 116.5421 66.7939 68.2595 176.1295 20 A 4.0840 7.8123 122.6234 54.9438 18.2923 179.6387 21 K 3.9524 7.7472 117.4246 59.6527 32.0535 178.8414 22 D 4.3520 8.3995 118.7852 56.8521 40.7819 177.7681 23 L 4.4517 7.8026 116.6230 53.0880 42.7033 176.8029 24 G 3.9580 8.0069 107.0532 46.9819 0.0000 172.4066 25 V 4.3000 9.2470 109.8513 59.8719 35.9415 174.8912 26 Y 4.7572 8.0435 117.0390 57.3921 39.3312 176.2485 27 Q 4.0245 9.1524 124.9970 59.7301 28.8426 179.2985 28 S 4.1371 8.3286 114.2094 61.5167 62.7104 176.1901 29 A 4.0935 8.0795 124.0722 55.0172 18.1753 179.3040 30 I 3.6375 7.8619 117.6217 64.7731 36.9957 177.7368 31 N 4.3934 8.1860 117.6903 56.7494 38.0185 176.9297 32 K 4.0335 8.8772 120.6598 59.7822 32.4719 178.6406 33 A 4.1658 8.6399 122.4304 55.3339 18.2732 179.4395 34 I 3.6770 8.3638 118.2055 64.6616 36.9885 177.7967 35 H 3.9376 9.6387 118.1482 59.6904 29.7931 176.7413 36 A 4.1669 9.1250 121.0168 53.3371 18.0904 178.4494 37 G 3.8429 7.7280 103.9759 45.6694 0.0000 173.9298 38 R 4.1125 7.3260 117.8031 55.9752 30.6491 177.5245 39 K 4.3444 8.3498 120.8947 55.2422 31.7863 174.2566 40 I 5.0256 7.6880 124.0236 59.2750 40.3386 174.2113 41 F 5.1730 9.1907 124.3277 55.7239 42.9320 173.8081 42 L 4.9135 9.3540 123.3847 53.4260 44.2194 175.4467 43 T 4.8575 8.4895 119.4250 61.6892 71.4820 173.3682 44 I 4.7330 8.3030 126.5927 59.3913 39.7780 175.5204 45 N 4.7894 9.1346 125.2346 52.5137 39.2496 176.1643 46 A 3.9996 8.7430 123.1685 55.5492 18.2494 178.5654 47 D 4.5749 7.8839 111.7019 53.1703 40.1110 176.4618 48 G 4.1221 8.0131 108.9793 45.8564 0.0000 174.9523 49 S 4.3827 8.4499 114.8591 58.4733 64.1133 173.7924 50 V 5.0965 8.2325 120.7361 61.6423 34.8107 173.7370 51 Y 5.0414 8.2675 121.4168 55.8144 41.6143 173.3408 52 A 5.2731 8.6239 120.8350 50.5088 22.6627 175.2046 53 E 4.8116 9.2628 118.1779 54.8110 34.4996 174.0131 54 E 5.1796 8.8423 123.1868 54.7949 31.4323 175.1030 55 V 4.7847 8.7149 125.8458 61.2012 34.6859 174.8361 56 K 4.7029 8.4659 123.5821 54.4627 35.2919 174.0385 57 P 4.4352 0.0000 0.0000 63.2273 31.6720 175.5024 58 F 4.6019 8.4606 121.6635 56.1020 42.0678 172.6213 59 P 3.7956 0.0000 0.0000 61.5969 33.2992 175.7476 60 S 5.3256 7.8364 119.4492 59.3636 63.0677 177.2251 *61 N 4.5530 8.0617 120.9042 52.0680 38.0464 175.2221 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 8.29 4.58 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 E 8.85 4.46 0.00 2.19 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 0.00 2.23 2.34 0.00 3 Q 8.81 4.64 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 4 R 8.18 5.06 0.00 1.76 1.79 0.00 3.07 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 5 I 8.83 5.03 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.25 1.05 0.00 0.00 6 T 8.30 4.12 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 1.01 0.00 0.00 7 L 8.09 3.87 0.00 1.70 1.62 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.89 3.91 0.00 1.87 1.73 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.59 7.81 9 D 8.90 4.40 0.00 2.72 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 10 Y 8.87 4.07 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.22 1.48 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 12 M 7.86 4.22 0.00 1.95 2.35 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 13 R 7.61 3.73 0.00 1.46 1.70 0.00 2.79 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.62 0.00 14 F 8.13 4.45 0.00 3.03 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 15 G 9.19 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.77 4.02 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 17 T 7.96 3.97 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 1.25 0.00 0.00 18 K 8.08 4.16 0.00 2.00 2.13 0.00 1.58 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.66 7.81 19 T 8.14 3.99 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 20 A 7.81 4.08 1.41 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 0.00 0.00 0.00 21 K 7.75 3.95 0.00 2.06 1.98 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.63 7.81 22 D 8.40 4.35 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 23 L 7.80 4.45 0.00 1.69 1.63 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.25 4.30 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 0.72 0.00 0.00 0.92 0.00 0.00 26 Y 8.04 4.76 0.00 3.04 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 27 Q 9.15 4.02 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 28 S 8.33 4.14 0.00 4.11 4.13 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 0.00 0.00 0.00 0.00 29 A 8.08 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.64 2.11 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 1.71 0.97 0.95 0.00 0.00 31 N 8.19 4.39 0.00 2.80 3.03 0.00 0.00 7.07 6.89 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 32 K 8.88 4.03 0.00 2.00 2.08 0.00 1.41 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.78 1.49 7.81 33 A 8.64 4.17 1.41 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 0.00 0.00 0.00 34 I 8.36 3.68 2.04 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 1.37 0.84 0.91 0.00 0.00 35 H 9.64 3.94 0.00 3.19 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 9.13 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.84 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 0.00 0.00 0.00 38 R 7.33 4.11 0.00 1.78 2.07 0.00 3.17 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 39 K 8.35 4.34 0.00 1.96 1.95 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.49 7.81 40 I 7.69 5.03 1.79 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 1.35 0.92 0.88 0.00 0.00 41 F 9.19 5.17 0.00 2.92 2.89 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 L 9.35 4.91 0.00 1.33 1.23 0.74 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.49 4.86 2.69 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 0.00 0.00 0.00 1.07 0.00 0.00 44 I 8.30 4.73 1.91 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 1.30 0.93 0.95 0.00 0.00 45 N 9.13 4.79 0.00 2.98 2.79 0.00 0.00 6.47 7.93 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 46 A 8.74 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.57 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 48 G 8.01 4.12 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 0.00 0.00 0.00 49 S 8.45 4.38 0.00 3.98 4.03 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 0.00 0.00 0.00 0.00 50 V 8.23 5.10 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 0.75 0.00 0.00 0.96 0.00 0.00 51 Y 8.27 5.04 0.00 3.03 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 52 A 8.62 5.27 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.81 0.00 1.98 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 0.00 2.37 2.52 0.00 54 E 8.84 5.18 0.00 2.01 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 2.26 2.53 0.00 55 V 8.71 4.78 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 56 K 8.47 4.70 0.00 1.91 1.76 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.48 7.81 57 P 0.00 4.44 0.00 2.37 2.14 0.00 3.76 0.00 0.00 3.64 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 58 F 8.46 4.60 0.00 3.07 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 59 P 0.00 3.80 0.00 1.78 1.04 0.00 3.75 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 60 S 7.84 5.33 0.00 3.85 3.82 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 *61 N 8.06 4.55 0.00 2.53 2.62 0.00 0.00 6.84 7.56 0.00 0.00 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.