NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 P 4.4076 0.0000 0.0000 62.2668 32.1812 176.0039 0 S 4.2304 8.4455 118.5962 56.5333 63.9893 172.1467 1 Y 4.2539 8.3317 123.6270 57.4217 39.9841 174.6665 3 P 4.7973 0.0000 0.0000 62.9736 33.0686 175.3629 4 T 4.1116 7.5275 108.7169 61.5384 68.8695 172.7011 *6 P 4.1648 0.0000 0.0000 63.8851 31.7562 176.5733 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 P 0.00 4.41 0.00 2.07 2.09 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 0 S 8.45 4.23 0.00 4.11 3.89 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 1 Y 8.33 4.25 0.00 2.95 2.97 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 3 P 0.00 4.80 0.00 2.19 2.20 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 4 T 7.53 4.11 4.20 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 1.18 0.00 0.00 *6 P 0.00 4.16 0.00 2.08 2.04 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.