NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4812 8.3193 116.7992 58.4688 64.3219 172.6278 3 S 4.5082 8.4010 119.2176 56.6674 64.8135 172.0728 4 D 4.7283 8.9997 122.7766 54.4274 42.4553 176.3174 5 Y 5.0157 8.7113 119.2978 56.7528 41.2773 175.1133 6 V 4.4553 8.2636 120.7325 61.8687 35.6087 173.2336 *8 A 4.4105 8.5575 119.8966 52.3119 20.0604 176.6250 9 T 4.8337 8.2866 113.0183 60.1249 71.2896 175.6577 10 K 4.2211 8.8865 121.4215 57.2782 32.8075 176.8043 11 D 4.7988 7.8313 118.3597 52.6885 40.1163 176.0869 12 G 4.0407 7.7859 105.7318 47.2226 0.0000 173.7761 13 R 3.8631 8.4716 118.0716 56.6426 29.2772 177.5450 *15 I 3.8900 8.7319 112.8641 60.9930 38.8202 175.1560 16 L 4.5501 8.3979 125.5735 54.6126 42.7263 175.9277 17 T 4.9679 8.2457 111.7290 60.1151 72.5762 172.5677 18 D 4.6816 9.2149 120.8294 54.8703 42.6039 176.4723 19 G 4.0326 9.0320 110.2447 44.7322 0.0000 171.4652 20 K 2.5407 7.7617 120.3595 54.7941 32.4659 174.8613 21 P 4.5177 0.0000 0.0000 62.7209 32.3206 175.6222 22 E 4.3299 9.1657 124.6877 55.3415 30.8611 175.6296 23 I 4.3534 8.3258 126.8112 60.4730 38.1056 175.7370 24 D 4.6356 8.9786 129.6539 52.5888 40.4759 176.6161 25 D 4.6732 8.6901 125.9306 56.9378 41.1168 177.7795 26 D 4.6297 8.0546 117.0857 55.5894 41.1215 176.9579 27 T 4.4633 7.5240 106.4569 59.9729 70.7855 173.9800 28 G 3.8502 8.9191 110.7395 46.5030 0.0000 172.6532 29 L 5.1685 7.6890 117.3154 52.5106 46.5280 175.8356 30 V 4.6960 9.1040 122.9964 61.5470 33.4125 174.6136 31 S 5.2175 9.1448 125.0216 57.6884 64.8916 172.8626 32 Y 4.9507 8.0090 119.3549 56.6929 40.6975 172.9266 33 H 5.7020 8.7743 117.3619 53.7057 31.0338 175.6081 34 D 5.1216 8.3397 123.8868 53.7157 40.5885 176.9569 35 Q 4.5159 8.7309 120.0093 56.6745 28.9903 175.6484 36 Q 4.3220 8.4521 118.5209 55.4536 29.4912 176.3258 37 G 3.9939 7.8385 104.1547 46.0789 0.0000 174.0977 38 N 4.2594 7.8874 117.0239 53.2709 39.1242 174.4772 39 A 4.4387 8.0482 124.2672 51.8769 19.5792 176.8337 *41 Q 4.4481 8.1624 117.5568 56.0116 30.2326 174.8748 42 I 4.7716 8.4787 121.5201 59.0168 42.2687 174.0183 43 N 4.5555 8.9107 125.4527 53.7293 39.1675 176.1120 44 R 3.8602 8.7720 123.4460 59.3551 30.4855 178.0181 45 D 4.5939 8.1932 116.1682 57.2415 41.2375 176.6919 46 D 4.5379 8.0502 117.3529 54.9506 41.3427 175.7584 47 V 4.5538 7.9337 120.2247 61.4964 32.6739 175.3067 48 S 4.6191 9.2231 123.0941 59.6757 64.2793 174.8736 49 Q 4.5288 7.7035 117.4825 54.3928 32.5218 174.5628 50 I 4.4654 8.5126 124.9703 60.0213 38.7592 174.9792 51 I 4.3986 8.7411 129.3591 59.4829 39.2554 174.3906 52 E 4.3669 8.7218 128.4412 54.6967 31.0865 175.3234 53 R 4.3785 8.6408 127.1750 54.3704 31.1875 175.8296 54 L 4.0558 8.3128 124.5415 54.6338 42.4067 176.7540 55 E 4.2987 8.4803 123.7228 55.5131 30.6784 175.2346 56 H 4.9174 8.4839 122.0353 54.2014 32.4385 172.7206 57 H 4.9000 8.4349 118.6995 54.7417 31.0738 173.0678 58 H 4.3793 8.7060 120.4407 56.0639 29.6797 173.1135 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 4.48 0.00 3.91 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 8.40 4.51 0.00 3.88 3.73 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 4 D 9.00 4.73 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 5.02 0.00 2.94 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 6 V 8.26 4.46 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 1.09 0.00 0.00 0.92 0.00 0.00 *8 A 8.56 4.41 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 9 T 8.29 4.83 4.39 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 1.17 0.00 0.00 10 K 8.89 4.22 0.00 1.76 1.94 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.39 7.81 11 D 7.83 4.80 0.00 2.74 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 12 G 7.79 4.04 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 0.00 0.00 0.00 13 R 8.47 3.86 0.00 2.06 1.63 0.00 3.31 0.00 0.00 3.24 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 *15 I 8.73 3.89 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.79 0.00 0.00 16 L 8.40 4.55 0.00 1.56 1.62 0.94 0.87 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 17 T 8.25 4.97 4.38 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 0.00 0.00 0.00 1.12 0.00 0.00 18 D 9.21 4.68 0.00 2.81 2.81 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 19 G 9.03 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 0.00 0.00 0.00 20 K 7.76 2.54 0.00 0.79 1.34 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 0.97 7.81 21 P 0.00 4.52 0.00 1.90 1.93 0.00 3.38 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 22 E 9.17 4.33 0.00 1.88 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 2.23 2.22 0.00 23 I 8.33 4.35 1.86 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 1.22 0.48 0.96 0.00 0.00 24 D 8.98 4.64 0.00 2.74 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 D 8.69 4.67 0.00 2.70 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 26 D 8.05 4.63 0.00 2.89 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 27 T 7.52 4.46 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 28 G 8.92 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 0.00 0.00 0.00 29 L 7.69 5.17 0.00 1.57 1.53 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.10 4.70 2.11 0.00 0.00 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 0.93 0.00 0.00 31 S 9.14 5.22 0.00 3.76 3.72 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 32 Y 8.01 4.95 0.00 2.91 2.81 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 33 H 8.77 5.70 0.00 3.11 3.29 0.00 5.89 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 34 D 8.34 5.12 0.00 2.99 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 35 Q 8.73 4.52 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 36 Q 8.45 4.32 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 37 G 7.84 3.99 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 0.00 0.00 0.00 38 N 7.89 4.26 0.00 2.99 2.69 0.00 0.00 7.05 7.08 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 39 A 8.05 4.44 1.21 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 0.00 0.00 0.00 *41 Q 8.16 4.45 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 42 I 8.48 4.77 2.08 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 1.26 1.51 1.02 0.00 0.00 43 N 8.91 4.56 0.00 2.93 2.75 0.00 0.00 6.72 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 44 R 8.77 3.86 0.00 1.89 1.93 0.00 3.11 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 45 D 8.19 4.59 0.00 2.68 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 46 D 8.05 4.54 0.00 3.01 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 47 V 7.93 4.55 2.16 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 0.74 0.00 0.00 0.89 0.00 0.00 48 S 9.22 4.62 0.00 3.90 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 49 Q 7.70 4.53 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 50 I 8.51 4.47 1.91 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 1.34 0.82 1.01 0.00 0.00 51 I 8.74 4.40 1.86 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 1.11 0.97 0.88 0.00 0.00 52 E 8.72 4.37 0.00 1.78 1.70 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 1.84 1.47 0.00 53 R 8.64 4.38 0.00 1.74 1.80 0.00 3.15 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 54 L 8.31 4.06 0.00 1.45 1.39 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.48 4.30 0.00 1.98 1.79 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 2.28 2.31 0.00 56 H 8.48 4.92 0.00 3.13 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.43 4.90 0.00 3.14 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.71 4.38 0.00 3.09 3.19 0.00 5.93 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 * Residues marked with a * may have inaccurate shift predictions.