NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *501 F 4.4485 8.3244 119.0077 56.4988 40.4810 174.4678 *505 Q 4.1391 7.9318 124.0869 57.3510 28.9466 174.4545 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 *501 F 8.32 4.45 0.00 2.32 2.26 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 *505 Q 7.93 4.14 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.