NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 R 4.1534 8.3545 119.0729 55.8403 30.2925 174.8036 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 R 8.35 4.15 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.