NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0718 8.0544 120.3131 61.1816 32.7573 174.5780 2 V 3.6307 8.1028 121.1374 61.2730 32.2380 174.3763 3 S 4.1422 8.8905 121.0816 59.0243 63.5027 174.1563 4 H 4.2975 9.0748 123.5030 56.4278 29.2463 174.6374 5 F 3.6452 7.8079 116.0360 59.4544 39.1060 174.8374 *10 D 4.4384 7.7733 117.4300 55.0994 41.7447 173.6777 11 S 4.3867 8.5511 116.0911 60.0142 64.6498 174.5540 12 H 4.6841 7.9617 117.3296 54.1833 29.9821 175.0068 13 T 4.3642 8.3348 109.2464 62.9171 69.7806 174.8920 14 Q 4.0967 7.8008 124.5606 55.9664 29.8468 174.5623 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 V 8.05 4.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 2 V 8.10 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 0.78 0.00 0.00 0.94 0.00 0.00 3 S 8.89 4.14 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.07 4.30 0.00 3.15 3.33 0.00 5.95 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.81 3.65 0.00 3.07 3.08 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 0.00 0.00 0.00 *10 D 7.77 4.44 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.39 0.00 3.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.96 4.68 0.00 3.17 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.33 4.36 4.25 0.00 0.00 0.00 0.00 0.00 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 14 Q 7.80 4.10 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.