NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6456 8.4293 117.8345 55.3716 30.1339 172.9578 1 F 4.4959 8.1108 119.4619 56.0610 40.2259 173.8424 2 D 4.5772 8.9571 125.5801 54.8351 40.3977 180.1404 *4 Y 4.5460 8.8317 131.3788 58.0664 39.1629 173.2728 5 L 4.1201 8.3211 128.3852 53.8100 42.1023 177.3492 6 I 3.2873 8.0460 120.5932 63.6463 38.1487 176.8501 7 R 4.1121 7.6965 123.1517 56.2231 29.3455 179.9628 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 0 H 8.43 4.65 0.00 3.08 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 8.11 4.50 0.00 3.20 3.12 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 D 8.96 4.58 0.00 2.78 2.11 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 *4 Y 8.83 4.55 0.00 2.86 2.99 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 L 8.32 4.12 0.00 1.56 1.49 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.05 3.29 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 0.80 0.00 0.00 7 R 7.70 4.11 0.00 1.85 1.73 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.