NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3763 8.3344 116.7913 58.2503 65.0158 174.4126 8 R 3.7472 7.9905 120.4964 56.7009 28.7400 175.5470 9 H 4.1715 7.7626 115.3341 57.0327 27.9600 174.4688 10 K 4.6439 7.1011 133.5844 55.6620 31.0464 179.1924 *12 L 4.0812 8.4374 114.4096 54.3955 42.3545 175.4241 13 M 4.2725 8.5505 124.8757 55.1406 33.2157 176.5668 *14 F 4.2598 8.5780 122.6802 57.0352 38.1876 172.8999 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 7 S 8.33 4.38 0.00 3.85 3.94 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 8 R 7.99 3.75 0.00 1.81 1.88 0.00 3.56 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 9 H 7.76 4.17 0.00 3.34 3.30 0.00 5.76 0.00 0.00 0.00 0.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.10 4.64 0.00 1.71 0.92 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 *12 L 8.44 4.08 0.00 1.71 1.63 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.55 4.27 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 *14 F 8.58 4.26 0.00 2.34 2.04 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 * Residues marked with a * may have inaccurate shift predictions.