NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1988 8.0093 114.2701 61.3796 39.2400 175.6082 2 R 4.1107 8.1387 116.3439 58.3623 31.3898 174.3771 3 D 4.4240 7.9900 123.1728 53.0204 41.2457 178.4839 *5 C 4.5790 8.5483 124.6294 56.4492 45.5458 175.6137 6 C 4.3959 7.8898 119.2366 59.6450 43.3631 174.7221 7 S 4.1338 7.9593 113.8891 60.7669 63.0879 174.5070 8 N 4.2942 8.0860 118.9767 53.3307 39.3590 173.4219 9 P 4.2148 0.0000 0.0000 65.4829 31.6007 178.4942 10 A 3.9641 7.9949 119.1620 55.3066 18.3644 180.0447 11 C 4.1930 8.9891 117.3894 59.8440 43.5282 175.6295 12 R 3.9054 7.9324 119.2208 59.4120 29.6551 178.4471 13 V 3.7313 7.7569 117.1578 66.0558 31.6842 177.5606 14 N 4.5177 8.0094 114.8074 54.9366 38.6869 174.9017 15 N 4.9733 7.9145 115.0593 51.6768 41.8408 173.6537 *17 H 4.6718 8.4416 116.9469 56.1089 31.1626 174.7672 18 V 3.6617 8.0309 119.4990 65.0356 31.7383 176.2320 19 C 4.3904 8.0056 122.6932 56.6359 44.5270 172.7289 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 I 8.01 4.20 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 1.47 1.12 0.91 0.00 0.00 2 R 8.14 4.11 0.00 1.97 2.03 0.00 3.02 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 3 D 7.99 4.42 0.00 2.80 2.66 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 C 8.55 4.58 0.00 2.95 3.15 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 C 7.89 4.40 0.00 2.95 3.19 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 S 7.96 4.13 0.00 3.90 3.90 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 8 N 8.09 4.29 0.00 2.75 2.72 0.00 0.00 7.23 7.71 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 P 0.00 4.21 0.00 2.20 2.08 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 10 A 7.99 3.96 1.37 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 11 C 8.99 4.19 0.00 2.95 3.09 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 R 7.93 3.91 0.00 1.95 2.13 0.00 3.32 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 13 V 7.76 3.73 2.21 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 0.85 0.00 0.00 1.01 0.00 0.00 14 N 8.01 4.52 0.00 2.75 2.86 0.00 0.00 7.00 8.04 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 15 N 7.91 4.97 0.00 2.71 2.69 0.00 0.00 7.01 8.54 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 *17 H 8.44 4.67 0.00 3.08 3.35 0.00 5.92 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.03 3.66 2.07 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 0.76 0.00 0.00 0.93 0.00 0.00 19 C 8.01 4.39 0.00 2.96 2.93 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.