NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8887 8.3393 109.7349 45.4537 0.0000 173.0052 2 I 3.9264 7.9643 112.8238 58.8624 38.8050 170.2679 3 V 3.5730 8.0804 114.6875 61.3769 32.4790 177.6562 4 E 4.1190 8.7454 123.1829 56.2125 30.2537 177.8761 5 Q 3.9944 8.9754 118.7309 59.7874 28.6793 180.2225 6 C 4.6171 8.1641 110.7755 58.2190 40.6654 174.0126 7 C 4.2790 7.9817 120.4654 61.8413 31.7775 174.7232 8 T 3.9766 8.0180 112.4055 64.3413 67.1188 173.8529 9 S 4.8404 7.8513 114.8229 56.5723 65.8276 173.1220 10 I 4.3590 8.0243 121.9832 60.3591 38.2457 176.3315 11 C 5.0207 8.3566 121.0951 54.7206 41.3349 173.6588 12 S 4.4757 8.2193 116.1695 57.6087 63.6750 175.0167 13 L 4.0589 8.4425 121.7151 58.1970 42.0209 177.7428 14 Y 3.7512 7.9694 119.4744 60.5633 39.1011 177.6433 15 Q 3.9687 8.2276 118.3398 59.4492 29.1932 179.6130 16 L 4.4464 7.5326 117.6974 58.0629 41.6485 179.4682 17 E 4.0473 8.0305 118.0924 58.7923 29.1688 178.3832 18 N 4.1690 7.5335 115.1283 55.2229 38.8988 174.9681 19 Y 4.5981 7.2152 116.2043 59.7631 38.8199 176.0518 20 C 4.2085 8.1563 118.6040 61.6888 28.7590 174.0558 *21 N 4.5415 8.0078 121.8766 52.4364 37.8894 179.5128 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 G 8.34 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 0.00 0.00 0.00 2 I 7.96 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.91 0.00 0.00 3 V 8.08 3.57 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 4 E 8.75 4.12 0.00 2.11 2.06 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 2.35 2.32 0.00 5 Q 8.98 3.99 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.04 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 6 C 8.16 4.62 0.00 3.02 3.18 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 7 C 7.98 4.28 0.00 2.94 3.18 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 T 8.02 3.98 4.40 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 1.31 0.00 0.00 9 S 7.85 4.84 0.00 3.90 3.76 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 10 I 8.02 4.36 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.53 0.93 0.00 0.00 11 C 8.36 5.02 0.00 3.00 3.04 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 12 S 8.22 4.48 0.00 4.07 4.05 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 13 L 8.44 4.06 0.00 1.69 1.74 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.97 3.75 0.00 3.03 2.90 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 15 Q 8.23 3.97 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 16 L 7.53 4.45 0.00 1.95 1.79 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.03 4.05 0.00 1.76 1.91 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 2.30 2.50 0.00 18 N 7.53 4.17 0.00 2.58 2.51 0.00 0.00 7.12 7.04 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 19 Y 7.22 4.60 0.00 3.02 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 20 C 8.16 4.21 0.00 2.94 2.98 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 *21 N 8.01 4.54 0.00 2.49 2.63 0.00 0.00 6.58 7.56 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.