NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6583 8.2076 120.3173 53.4868 40.7526 176.0457 2 T 3.6555 8.5101 106.4837 64.7093 68.6071 174.6141 3 L 4.1658 9.0908 122.7636 57.0087 42.2580 180.0267 4 D 4.3516 8.2682 118.5630 57.3849 40.8290 178.2706 5 E 3.9369 8.5747 119.8985 59.0980 29.5595 178.7554 6 A 4.0505 7.8547 120.6228 55.0409 18.4440 179.2724 7 E 3.9378 8.7995 118.3008 59.4564 29.6944 179.0542 8 R 4.0038 8.3964 119.1452 59.3531 30.0700 178.3230 9 Q 4.0286 8.4109 119.5993 58.7791 29.0672 177.4859 10 W 4.0046 8.5456 129.5645 60.3217 30.7707 177.6326 11 K 4.0702 8.6224 118.0540 59.8117 31.6948 178.7604 12 A 4.0674 7.8906 120.0115 55.6511 18.3977 179.6565 13 E 4.0739 8.4407 116.3283 58.7181 29.4633 179.4399 14 F 3.9690 8.3747 121.7215 61.6626 39.3669 176.8415 15 H 3.8481 8.1962 115.7734 58.7520 28.2218 177.8690 16 R 3.9343 7.8447 119.9357 59.0269 29.7806 178.0876 17 W 4.4181 8.2258 128.4512 60.4416 30.4616 178.2691 18 S 3.6022 7.7372 114.5465 61.3138 62.3677 176.4371 19 S 4.1681 7.7169 117.6482 61.3684 62.4560 176.1244 20 Y 4.3867 7.3383 118.1051 58.1760 37.4436 178.1844 *22 V 3.9576 7.9863 120.8956 63.2852 33.7476 176.7614 23 H 4.0835 8.5792 119.2392 58.8665 29.5921 177.0145 24 W 3.9367 8.4925 130.5529 60.4381 30.6491 177.7309 25 K 3.5987 8.4121 119.0197 59.6132 31.2909 178.2699 26 N 4.2841 7.8020 115.9736 56.2546 38.4345 177.1769 27 Q 3.9834 7.6794 119.1947 58.7126 28.8716 178.3243 28 F 3.8457 7.8355 122.0608 61.4290 39.0298 176.9940 29 D 4.1302 7.6728 117.0676 57.3413 40.5989 177.7696 30 H 4.2124 7.6341 117.9502 58.4648 30.7083 175.0053 31 Y 4.2171 7.3676 122.5751 56.8414 37.9968 175.0318 32 S 4.0527 7.3319 118.6726 58.4859 62.8248 172.9355 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 D 8.21 4.66 0.00 2.92 2.85 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 2 T 8.51 3.66 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 1.21 0.00 0.00 3 L 9.09 4.17 0.00 1.82 1.72 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.27 4.35 0.00 2.94 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 5 E 8.57 3.94 0.00 2.30 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 0.00 2.32 2.39 0.00 6 A 7.85 4.05 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 7 E 8.80 3.94 0.00 2.04 2.19 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 2.38 2.37 0.00 8 R 8.40 4.00 0.00 2.03 2.14 0.00 3.18 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 9 Q 8.41 4.03 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 10 W 8.55 4.00 0.00 3.58 3.37 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 11 K 8.62 4.07 0.00 2.14 2.12 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.89 2.01 7.81 12 A 7.89 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.07 0.00 2.05 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 2.35 2.46 0.00 14 F 8.37 3.97 0.00 1.51 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 15 H 8.20 3.85 0.00 3.26 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.84 3.93 0.00 1.88 2.19 0.00 3.61 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 17 W 8.23 4.42 0.00 3.52 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 3.60 0.00 3.76 3.63 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 19 S 7.72 4.17 0.00 3.72 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 20 Y 7.34 4.39 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 V 7.99 3.96 2.17 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 0.92 0.00 0.00 0.91 0.00 0.00 23 H 8.58 4.08 0.00 3.26 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.49 3.94 0.00 3.52 3.24 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 0.00 25 K 8.41 3.60 0.00 2.12 1.99 0.00 1.79 0.00 0.00 2.03 0.00 0.00 3.54 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.79 7.81 26 N 7.80 4.28 0.00 2.81 2.76 0.00 0.00 7.07 7.72 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 27 Q 7.68 3.98 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 28 F 7.84 3.85 0.00 1.51 2.39 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 0.00 29 D 7.67 4.13 0.00 2.65 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 30 H 7.63 4.21 0.00 3.04 3.43 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.37 4.22 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.33 4.05 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.