NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9997 8.2127 109.7422 45.3843 0.0000 174.7935 2 I 3.0997 8.0013 118.1401 63.7092 37.5220 173.7851 3 V 3.5695 8.4582 114.1583 63.7964 31.5782 177.2124 4 E 4.2200 7.9666 116.5585 58.0960 30.1270 177.8028 5 Q 4.2825 8.0285 117.0258 57.3516 29.1305 175.8983 6 C 5.0943 8.2887 114.2351 56.1097 41.5584 173.8521 7 C 4.5289 7.5296 117.1883 59.6750 28.1104 173.7536 *9 S 4.2787 7.7988 114.4334 58.2348 63.6923 173.1947 10 I 4.1253 8.0865 122.3702 61.1816 37.6256 176.3402 11 C 5.0615 8.5201 122.2012 55.1021 43.1042 174.7498 12 S 4.4800 9.4059 120.7788 57.5192 64.8188 174.7734 13 L 3.7713 8.4054 122.8497 58.8166 41.2111 178.5772 14 Y 4.0645 7.4500 114.8822 61.1903 38.2899 177.9912 15 Q 4.2099 7.9879 117.7771 58.8201 28.8264 178.6714 16 L 4.2778 8.2509 120.3477 57.6866 41.5505 178.9614 17 E 4.0462 8.5838 119.3593 59.0018 29.2187 178.5686 18 N 4.3204 7.5976 115.0497 55.7891 38.4791 175.1490 19 Y 4.5750 7.6018 115.9559 57.9838 38.0128 175.3554 20 C 4.5416 7.5298 119.2914 58.8250 29.6631 173.6255 21 N 4.5469 8.5002 116.8462 53.8873 38.2836 175.5055 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 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.10 0.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 0.62 0.00 0.00 3 V 8.46 3.57 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 0.74 0.00 0.00 0.90 0.00 0.00 4 E 7.97 4.22 0.00 1.94 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 2.25 2.37 0.00 5 Q 8.03 4.28 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 6 C 8.29 5.09 0.00 2.99 3.07 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 0.00 0.00 0.00 7 C 7.53 4.53 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.80 4.28 0.00 3.93 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 10 I 8.09 4.13 1.89 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 1.42 0.48 0.93 0.00 0.00 11 C 8.52 5.06 0.00 2.97 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.41 4.48 0.00 4.17 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 3.77 0.00 1.50 1.12 0.73 0.17 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 14 Y 7.45 4.06 0.00 3.08 3.03 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 15 Q 7.99 4.21 0.00 2.37 2.24 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 2.44 2.50 0.00 16 L 8.25 4.28 0.00 1.88 1.75 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.58 4.05 0.00 2.06 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 2.32 2.36 0.00 18 N 7.60 4.32 0.00 2.59 2.50 0.00 0.00 6.94 7.34 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 19 Y 7.60 4.57 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.53 4.54 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.55 0.00 2.72 2.73 0.00 0.00 6.68 7.56 0.00 0.00 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.