NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2690 8.2544 119.0733 53.9046 30.9176 175.7163 2 M 4.2279 8.3743 125.4975 55.6965 30.5386 177.8414 *3 K 4.6400 7.1772 119.0692 57.0006 34.3257 179.7185 4 Q 4.1986 8.1754 120.4099 58.3171 28.8376 178.1531 5 I 3.6672 8.0391 121.7049 64.3776 37.2071 177.4511 6 E 3.8808 8.2950 119.6955 59.7552 29.2712 178.6775 7 D 4.3243 7.7518 117.0546 57.2186 40.8891 178.4956 8 K 3.8549 7.8551 119.5446 59.5093 32.0720 178.2865 9 A 3.9556 8.1996 120.9607 55.3661 18.3349 179.0459 10 E 3.9034 8.4808 117.1656 59.8398 29.7669 179.4415 11 E 3.9457 8.2394 118.7533 59.3560 29.6021 178.7616 12 I 3.6797 8.1284 120.1312 64.4650 37.2443 177.9794 13 L 3.9081 8.1148 121.1240 58.3745 41.7940 178.9983 14 S 4.3212 8.1598 112.9554 61.4177 62.3371 176.2874 15 K 4.0455 8.0972 120.9297 59.3323 31.6377 179.3475 16 L 3.9932 7.7950 119.1015 57.9550 41.5044 179.1224 17 Y 4.1303 7.9752 116.7075 61.3575 37.8357 178.0653 18 H 4.2123 8.6576 119.3434 59.2990 29.9239 177.2161 19 I 3.8079 8.3076 122.0575 64.5497 36.8949 178.1658 20 E 3.9832 8.5415 119.6083 59.5293 29.3764 179.2000 21 N 4.3610 8.2607 116.5351 56.1881 38.4782 177.1566 22 E 3.9412 8.1602 120.0117 59.6558 29.5978 179.5804 23 L 3.9787 7.9962 118.5848 57.4810 41.5293 179.2318 24 A 4.0458 8.1866 120.9564 55.2076 18.1925 179.9995 25 R 3.8680 7.8746 115.8872 59.4917 30.0875 179.2490 26 I 3.6792 7.9769 119.8341 64.4925 37.1619 178.5568 27 K 3.9695 8.6650 122.0481 59.8792 31.5626 180.1913 28 K 3.9863 7.5105 123.1768 59.7266 32.0187 181.7280 29 L 4.2405 7.8071 119.3382 58.0313 41.5564 178.1439 30 L 4.4642 7.9640 118.4619 52.9657 41.7917 177.1667 31 G 5.2016 7.7390 124.0795 46.4703 0.0000 171.9960 32 E 4.0936 8.2128 123.8364 56.6146 29.1909 176.8888 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 R 8.25 4.27 0.00 1.85 1.88 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 2 M 8.37 4.23 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 *3 K 7.18 4.64 0.00 1.74 1.73 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.06 7.81 4 Q 8.18 4.20 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 5 I 8.04 3.67 2.06 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 1.41 0.48 0.91 0.00 0.00 6 E 8.29 3.88 0.00 2.17 2.14 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 2.40 2.45 0.00 7 D 7.75 4.32 0.00 3.01 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 8 K 7.86 3.85 0.00 1.96 2.02 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 9 A 8.20 3.96 1.38 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 0.00 0.00 0.00 10 E 8.48 3.90 0.00 2.17 2.07 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 2.36 2.66 0.00 11 E 8.24 3.95 0.00 2.17 2.15 0.00 0.00 0.00 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 2.37 0.00 12 I 8.13 3.68 2.06 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 1.41 1.29 0.90 0.00 0.00 13 L 8.11 3.91 0.00 1.98 1.84 1.07 0.84 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 14 S 8.16 4.32 0.00 4.01 4.05 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 15 K 8.10 4.05 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.64 7.81 16 L 7.80 3.99 0.00 1.67 1.57 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.98 4.13 0.00 3.19 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 18 H 8.66 4.21 0.00 3.29 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.31 3.81 2.01 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 1.52 0.46 0.89 0.00 0.00 20 E 8.54 3.98 0.00 2.18 2.03 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 2.50 2.45 0.00 21 N 8.26 4.36 0.00 2.89 2.87 0.00 0.00 7.02 7.82 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 22 E 8.16 3.94 0.00 2.15 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 2.27 2.29 0.00 23 L 8.00 3.98 0.00 1.86 1.70 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.19 4.05 1.38 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 0.00 0.00 0.00 25 R 7.87 3.87 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 26 I 7.98 3.68 1.87 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 1.52 0.73 0.91 0.00 0.00 27 K 8.66 3.97 0.00 1.94 1.87 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.71 1.54 7.81 28 K 7.51 3.99 0.00 1.80 1.71 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 29 L 7.81 4.24 0.00 1.75 1.80 0.92 1.14 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 30 L 7.96 4.46 0.00 1.72 1.57 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.74 5.20 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 0.00 0.00 0.00 0.00 32 E 8.21 4.09 0.00 2.08 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 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.