NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2665 8.1693 120.6212 54.8254 44.0550 177.7028 8 S 4.1099 7.9292 113.0972 57.6304 64.8760 173.6730 9 L 3.5302 8.9853 123.6307 57.9290 41.7717 180.8779 10 E 3.9437 7.9086 117.9580 59.4518 29.3996 179.3003 11 Q 4.0134 7.8614 117.8439 58.8109 28.8264 178.4219 12 Q 3.9957 8.1682 119.3759 59.1814 28.7557 179.1160 13 F 4.6553 8.2363 119.1385 60.4919 38.8713 177.9895 14 S 4.2511 8.2411 114.1336 61.4203 62.8517 176.7118 15 I 3.7892 8.0284 123.5278 64.1291 37.0009 178.2856 16 R 3.9463 8.2451 119.5811 59.7159 29.9217 178.7550 17 S 4.1740 8.3796 114.9423 61.4683 62.7206 176.4124 18 F 4.1980 8.5724 123.3123 61.2640 39.0834 177.0522 19 A 3.8037 8.2407 120.4801 55.3063 17.8787 179.7965 20 T 3.7228 7.5567 113.4045 66.7106 68.8738 176.2634 21 Q 3.9449 7.9404 121.4786 59.1463 28.7793 178.6326 22 V 3.2079 7.1310 118.2778 65.8707 31.5797 177.5077 23 Q 4.0373 7.9045 118.2930 58.1207 30.1704 177.2530 24 N 4.5369 7.2687 118.9902 50.6408 35.9385 174.0641 *26 S 4.2602 7.0739 117.5869 57.7677 65.2316 175.3235 27 H 4.1733 8.7883 119.9717 59.7670 29.4495 177.0968 28 D 4.3089 8.0353 119.9770 57.4331 40.6721 178.4274 29 Q 4.0479 8.2704 118.3689 59.0853 28.6505 179.0426 30 A 4.0197 8.3460 121.8584 55.0038 18.4042 179.8526 31 K 3.9473 8.1999 116.9709 59.7911 32.3056 179.2832 32 D 4.3927 8.2717 119.1413 57.3741 40.6634 178.7501 33 F 3.9900 8.6416 121.3664 61.1112 39.3581 176.8493 34 L 4.1521 8.4798 120.3383 58.3213 41.9080 179.1629 35 V 3.6252 7.9089 118.1168 65.9767 31.4720 178.1363 36 K 3.9445 7.9465 117.9022 59.3619 31.6228 179.1536 37 L 3.9016 8.0536 120.0460 58.0047 42.1069 177.8573 38 Y 4.1299 8.1164 118.8954 60.7827 39.0103 177.3797 39 E 4.1310 8.3988 120.0555 59.3086 29.5685 179.6500 40 Q 4.1399 7.9648 117.3465 56.4565 29.0133 178.0792 *42 V 3.8017 7.7568 119.2666 62.3577 33.5079 177.5501 43 V 3.5600 7.8834 118.8341 66.0008 31.2030 178.1601 44 R 3.8987 8.1888 118.0409 59.3002 29.8929 178.7349 45 E 3.9783 8.1763 117.5423 59.5974 29.5152 179.2613 46 A 4.0106 8.1699 120.6279 55.4458 18.3680 179.8624 47 T 3.8354 8.1567 114.3982 66.8381 68.4520 176.3459 48 Y 4.1079 8.3644 121.7552 60.8579 38.7194 178.0508 49 Q 3.7977 8.3514 119.0875 58.8413 28.9013 178.5459 50 E 3.8905 8.1696 120.3252 59.2613 29.4358 178.8922 51 L 3.9535 8.0184 119.1755 57.4655 41.4551 179.0408 52 L 3.7611 7.8854 121.0131 58.0635 41.7163 179.2072 53 K 3.9760 7.5163 116.9291 59.8588 32.8955 178.2267 54 H 4.1433 7.9075 118.2137 59.6352 29.7116 176.4581 55 Q 4.1383 7.8550 122.1518 58.6852 28.5760 176.8845 *56 W 4.1827 7.9402 126.0527 56.5514 28.4122 178.3715 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 7 L 8.17 4.27 0.00 1.73 1.72 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.93 4.11 0.00 3.98 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 9 L 8.99 3.53 0.00 1.49 1.22 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.91 3.94 0.00 2.01 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 2.41 2.50 0.00 11 Q 7.86 4.01 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 12 Q 8.17 4.00 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 13 F 8.24 4.66 0.00 3.12 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 14 S 8.24 4.25 0.00 4.12 4.31 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 15 I 8.03 3.79 2.04 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 1.43 0.66 0.99 0.00 0.00 16 R 8.25 3.95 0.00 2.03 2.18 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 17 S 8.38 4.17 0.00 4.00 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 18 F 8.57 4.20 0.00 3.18 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 3.80 1.36 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 20 T 7.56 3.72 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 Q 7.94 3.94 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 22 V 7.13 3.21 1.82 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 0.68 0.00 0.00 0.00 0.00 0.00 23 Q 7.90 4.04 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 24 N 7.27 4.54 0.00 2.88 2.71 0.00 0.00 6.99 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 *26 S 7.07 4.26 0.00 4.04 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 27 H 8.79 4.17 0.00 3.20 3.33 0.00 5.69 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 28 D 8.04 4.31 0.00 2.73 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 29 Q 8.27 4.05 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 30 A 8.35 4.02 1.36 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 31 K 8.20 3.95 0.00 1.94 1.87 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.63 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.59 7.81 32 D 8.27 4.39 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 3.99 0.00 3.30 3.19 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 34 L 8.48 4.15 0.00 2.03 1.98 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.91 3.63 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 1.00 0.00 0.00 0.98 0.00 0.00 36 K 7.95 3.94 0.00 1.79 1.64 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.55 7.81 37 L 8.05 3.90 0.00 1.79 1.97 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.12 4.13 0.00 3.09 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 39 E 8.40 4.13 0.00 2.14 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 0.00 2.30 2.33 0.00 40 Q 7.96 4.14 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.17 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 *42 V 7.76 3.80 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 0.86 0.00 0.00 0.53 0.00 0.00 43 V 7.88 3.56 2.04 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 0.96 0.00 0.00 0.96 0.00 0.00 44 R 8.19 3.90 0.00 1.82 1.92 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 45 E 8.18 3.98 0.00 2.08 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 0.00 2.34 2.27 0.00 46 A 8.17 4.01 1.37 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 0.00 0.00 0.00 47 T 8.16 3.84 4.41 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 1.22 0.00 0.00 48 Y 8.36 4.11 0.00 3.04 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 49 Q 8.35 3.80 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 50 E 8.17 3.89 0.00 2.16 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 2.29 2.33 0.00 51 L 8.02 3.95 0.00 1.77 1.65 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.89 3.76 0.00 1.54 1.44 0.78 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.52 3.98 0.00 1.87 1.97 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.41 7.81 54 H 7.91 4.14 0.00 3.26 3.47 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.85 4.14 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 *56 W 7.94 4.18 0.00 2.49 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.