NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1108 8.3144 119.9972 56.5322 33.4345 175.2678 *3 K 4.0309 8.6412 116.2072 56.4561 32.2097 175.2428 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 K 8.31 4.11 0.00 1.88 1.61 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 *3 K 8.64 4.03 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.