NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4064 8.0333 110.9481 61.4630 70.3969 174.6739 6 T 3.7262 8.4328 119.3566 65.9373 68.3433 174.8947 7 Y 4.1656 8.5723 122.9411 60.9326 39.3253 177.6687 8 A 3.8160 8.2224 121.3726 55.3589 18.2072 179.3829 9 D 4.2833 7.9206 116.3603 57.3131 41.1818 178.4258 10 F 4.3976 8.4113 121.3317 61.5819 39.2357 177.3779 11 I 3.3328 7.4401 117.6283 63.5887 36.8923 177.4971 12 A 4.1963 7.4949 119.5169 52.0271 18.7959 177.5921 13 S 4.3250 7.0948 112.3483 57.4834 64.0849 174.3456 14 G 3.9477 8.3829 108.3620 45.9109 0.0000 174.1540 15 R 4.6584 7.5143 118.3513 55.9253 30.8710 176.5382 16 T 4.0162 7.8065 107.9343 61.9822 69.8167 174.7807 17 G 3.9229 7.5858 110.9495 44.0148 0.0000 173.1092 18 R 3.9453 8.3903 118.1269 56.5696 30.3302 176.5991 19 R 4.4773 8.3829 121.7150 54.7490 31.4047 176.1395 20 N 4.5586 8.5709 120.1967 52.3398 39.4739 174.9845 21 A 4.1524 8.4904 124.4763 52.5026 19.0684 176.9897 22 I 4.5703 7.9214 113.5462 59.5213 40.2874 174.1966 23 H 4.5979 8.0808 118.0774 55.5545 31.1046 173.9466 *24 D 4.4415 8.5777 117.5717 53.5429 40.3447 174.6770 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 5 T 8.03 4.41 4.34 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 1.27 0.00 0.00 6 T 8.43 3.73 4.29 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 1.23 0.00 0.00 7 Y 8.57 4.17 0.00 3.11 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 8 A 8.22 3.82 1.42 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 9 D 7.92 4.28 0.00 2.89 2.77 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 F 8.41 4.40 0.00 3.02 3.14 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 11 I 7.44 3.33 1.46 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.06 0.74 0.00 0.00 12 A 7.49 4.20 1.28 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 13 S 7.09 4.33 0.00 3.95 3.99 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 14 G 8.38 3.95 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 15 R 7.51 4.66 0.00 1.83 1.94 0.00 3.16 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 16 T 7.81 4.02 3.91 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 0.00 0.00 0.24 0.00 0.00 17 G 7.59 3.92 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 0.00 0.00 0.00 18 R 8.39 3.95 0.00 1.82 1.91 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 19 R 8.38 4.48 0.00 1.82 1.88 0.00 3.25 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 20 N 8.57 4.56 0.00 2.71 2.74 0.00 0.00 7.06 7.35 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 A 8.49 4.15 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 22 I 7.92 4.57 1.85 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 1.47 0.66 0.90 0.00 0.00 23 H 8.08 4.60 0.00 3.20 3.30 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 D 8.58 4.44 0.00 2.48 2.54 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.