NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6473 8.2827 119.2046 53.7006 40.0776 173.7800 4 K 3.7936 8.4039 115.0857 57.0565 32.0558 177.6907 5 R 3.9664 8.8100 119.9652 59.9578 29.7434 177.0341 6 N 4.6512 8.0458 115.3131 55.4505 38.4239 177.4286 7 V 3.7044 7.1885 119.0527 65.7609 31.6519 177.9568 8 E 4.0698 8.8969 118.9701 59.0148 29.0775 178.8899 9 L 4.0058 7.5209 120.8844 57.8081 41.8574 178.5271 10 L 4.2738 7.7437 116.7962 56.2243 41.5676 178.3406 11 A 4.0044 7.3715 118.7636 53.9415 18.9973 178.5547 12 T 4.1649 7.8098 111.0407 64.0359 67.1497 176.7749 13 L 4.0458 7.5579 119.9230 57.5016 41.6377 179.0648 14 K 4.1931 7.6909 117.3278 58.3160 31.5076 178.8697 15 E 3.9912 7.8419 120.5824 59.1768 29.3383 178.3253 16 N 4.4576 8.0191 115.3739 55.9452 38.8371 177.0313 17 L 4.1744 7.6263 119.3778 57.7612 41.8799 179.2614 18 E 3.9909 8.1702 118.5650 59.4863 29.1931 179.6526 19 R 4.0021 7.6320 116.6071 58.6807 30.1463 178.3263 20 A 4.2713 7.6328 119.3413 51.4092 18.9496 177.7404 21 Q 4.4482 8.2142 112.2648 55.8298 30.5986 178.7401 22 G 3.8708 9.3623 117.0765 46.8492 0.0000 175.4243 *56 N 4.7475 9.2621 125.6798 53.0581 40.4923 176.1646 57 T 4.0664 7.6841 114.0617 65.5227 69.0989 176.5342 58 L 4.1151 7.8187 121.4827 57.5025 41.8748 178.6325 59 I 3.9408 7.5210 119.5455 63.9554 37.4494 177.8341 60 R 3.9580 7.6196 119.1655 59.0809 29.3236 178.3796 61 L 4.1408 7.7442 117.4283 56.9334 41.7472 178.3533 62 A 4.1263 7.6129 118.6088 53.2148 18.7509 178.7333 63 L 4.0762 7.4823 118.9368 57.2957 42.1052 178.6562 64 K 4.0857 7.5267 116.8915 58.6741 32.1567 178.2766 65 E 4.1706 7.6025 118.7940 57.6726 29.7306 177.2093 66 L 4.6337 6.6128 119.8417 55.7752 42.7744 176.1876 67 G 3.7630 7.9162 111.7711 46.2300 0.0000 172.9007 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 3 N 8.28 4.65 0.00 2.77 2.80 0.00 0.00 6.68 5.87 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 4 K 8.40 3.79 0.00 1.94 1.77 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.55 7.81 5 R 8.81 3.97 0.00 1.91 1.92 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 6 N 8.05 4.65 0.00 2.80 2.84 0.00 0.00 6.81 7.68 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 7 V 7.19 3.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 8 E 8.90 4.07 0.00 2.00 1.98 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 2.33 2.47 0.00 9 L 7.52 4.01 0.00 1.98 1.84 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.74 4.27 0.00 1.89 1.69 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.37 4.00 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 12 T 7.81 4.16 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 13 L 7.56 4.05 0.00 1.78 1.70 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.69 4.19 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.58 7.81 15 E 7.84 3.99 0.00 1.98 2.18 0.00 0.00 0.00 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 2.34 0.00 16 N 8.02 4.46 0.00 2.84 2.86 0.00 0.00 6.94 7.85 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 17 L 7.63 4.17 0.00 1.73 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.17 3.99 0.00 2.13 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 2.41 2.49 0.00 19 R 7.63 4.00 0.00 1.76 2.00 0.00 3.15 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 20 A 7.63 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 4.45 0.00 2.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 22 G 9.36 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 0.00 0.00 0.00 *56 N 9.26 4.75 0.00 2.79 2.92 0.00 0.00 6.80 7.05 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 57 T 7.68 4.07 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 58 L 7.82 4.12 0.00 1.71 1.66 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.52 3.94 2.00 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 0.63 0.91 0.00 0.00 60 R 7.62 3.96 0.00 2.00 1.91 0.00 3.09 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 61 L 7.74 4.14 0.00 1.77 1.69 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.61 4.13 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 63 L 7.48 4.08 0.00 1.95 1.84 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.53 4.09 0.00 1.89 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.63 7.81 65 E 7.60 4.17 0.00 2.14 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 2.30 2.45 0.00 66 L 6.61 4.63 0.00 1.93 1.71 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.92 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.