NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4033 8.0333 110.9475 61.4213 70.4798 174.6409 6 T 3.7269 8.4371 119.0521 65.9999 68.2927 174.9051 7 Y 4.1743 8.5495 122.9139 60.8417 39.3050 177.7470 8 A 3.7245 8.1967 121.4762 55.2268 18.2528 179.3460 9 D 4.2948 8.0121 116.4433 57.2642 41.1259 178.5628 10 F 4.3838 8.3115 121.1662 61.5557 39.2654 177.3824 11 I 3.4401 7.4557 117.7021 63.7788 36.8764 177.5465 12 A 4.2066 7.5230 119.5008 52.0502 18.8280 177.5679 13 S 4.2844 7.4516 112.7665 57.5942 63.9256 174.4511 14 G 3.9031 8.3606 107.9057 46.0239 0.0000 174.0794 15 R 4.6706 7.3617 118.8880 55.8949 30.8198 176.3305 16 T 4.0260 7.7711 107.3808 61.8799 69.9520 174.8681 17 G 3.9417 7.5762 110.9631 43.9828 0.0000 173.1284 18 R 3.9573 8.4072 118.0742 56.5802 30.3574 176.5195 19 R 4.5518 8.3376 121.4539 54.3846 31.6458 176.0088 20 N 4.4781 8.6426 120.5168 52.5839 39.3014 175.0409 21 A 4.1728 8.5392 125.6730 52.3404 19.1115 176.5392 22 I 4.6837 7.8488 113.1352 59.6002 40.5396 173.9200 23 H 4.5087 8.2372 117.7071 55.7717 30.8887 174.0718 *24 D 4.3929 8.5509 117.3696 53.5642 40.3408 172.1444 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 4.40 4.33 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 8.44 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 8.55 4.17 0.00 3.12 3.05 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 8 A 8.20 3.72 1.39 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 8.01 4.29 0.00 2.85 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 8.31 4.38 0.00 3.03 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 7.46 3.44 1.46 0.00 0.00 0.83 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 -0.05 0.75 0.00 0.00 12 A 7.52 4.21 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 13 S 7.45 4.28 0.00 3.89 3.97 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 8.36 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 0.00 0.00 0.00 15 R 7.36 4.67 0.00 1.75 1.93 0.00 3.16 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 16 T 7.77 4.03 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 0.37 0.00 0.00 17 G 7.58 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 0.00 0.00 0.00 18 R 8.41 3.96 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 8.34 4.55 0.00 1.82 1.88 0.00 3.26 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 1.59 1.85 0.00 20 N 8.64 4.48 0.00 2.72 2.77 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 8.54 4.17 1.25 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 7.85 4.68 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.92 0.00 0.00 23 H 8.24 4.51 0.00 3.26 3.30 0.00 5.56 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 D 8.55 4.39 0.00 2.47 2.53 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.