NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1917 8.2493 123.5821 52.2036 20.0956 175.9233 *3 T 4.0929 8.0826 108.9998 61.5907 70.4693 174.0101 *5 Q 4.0947 8.4667 123.3897 55.4859 29.1416 175.2230 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 A 8.25 4.19 1.27 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 0.00 0.00 *3 T 8.08 4.09 4.24 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 1.21 0.00 0.00 *5 Q 8.47 4.09 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.