NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4472 8.3349 116.7891 58.3472 64.3228 172.4339 2 L 4.3147 8.0924 120.7496 52.6152 44.1971 175.3733 3 N 4.5448 8.4705 120.9250 52.1575 42.1668 175.1928 4 F 4.6726 8.2775 128.0386 55.4196 37.7631 172.6958 *6 P 4.3163 0.0000 0.0000 62.7766 32.8877 177.4747 7 I 4.2228 8.0341 117.5907 61.6070 37.9537 175.6656 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 S 8.33 4.45 0.00 3.83 3.84 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 2 L 8.09 4.31 0.00 1.60 1.33 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.47 4.54 0.00 2.46 2.61 0.00 0.00 6.99 7.45 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 4 F 8.28 4.67 0.00 3.13 2.92 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 *6 P 0.00 4.32 0.00 2.22 2.14 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 7 I 8.03 4.22 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.