NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.5392 8.4449 117.8381 55.6519 30.2497 173.0195 *4 I 3.9446 8.1948 120.0718 61.7319 37.3113 175.5979 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 2 H 8.44 4.54 0.00 3.13 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 I 8.19 3.94 1.87 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 1.28 0.75 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.