NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.5955 8.3244 119.4034 57.3737 40.4873 174.4678 *5 I 3.9023 8.1517 118.4156 61.9158 37.8765 175.6039 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 F 8.32 4.60 0.00 3.08 3.06 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 *5 I 8.15 3.90 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 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.