NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2917 0.0000 0.0000 62.5295 32.7583 177.0688 *67 Q 4.2014 9.0297 123.6949 56.9468 29.4719 179.2052 68 S 3.2829 7.7367 112.7449 59.4070 62.7816 174.6550 *69 H 4.5751 8.1071 123.9508 53.7180 27.0101 175.3048 70 N 4.9599 8.2215 122.8859 50.5849 39.1216 174.2437 71 D 4.4347 8.7223 125.7785 51.3191 39.5870 171.5983 72 G 3.8202 8.2794 113.5904 45.9720 0.0000 172.4560 73 D 4.7713 7.8839 117.4419 53.2923 40.2526 175.8922 74 F 4.5301 8.0834 117.6759 56.8434 40.5838 176.0060 75 E 4.1689 8.6932 126.1665 56.6079 30.0214 177.4383 76 E 4.1780 8.6051 118.9278 55.7578 30.3846 177.0598 77 I 4.2212 8.1465 117.2625 58.3995 39.0829 173.9340 78 P 4.1998 0.0000 0.0000 64.2424 31.9337 177.8387 79 E 3.9184 9.0278 120.1079 59.0834 29.7325 175.9810 80 E 4.0616 7.9639 114.8706 57.8899 29.3978 176.7624 81 Y 4.6794 7.7637 116.4377 58.4314 38.4418 175.9140 82 L 4.4344 8.0063 121.5072 55.5250 42.3879 177.1915 *83 Q 4.1415 7.9397 122.8703 55.2275 28.7519 179.5925 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 2 P 0.00 4.29 0.00 2.06 1.30 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 *67 Q 9.03 4.20 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.07 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 68 S 7.74 3.28 0.00 3.72 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *69 H 8.11 4.58 0.00 2.92 2.91 0.00 7.14 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.22 4.96 0.00 2.71 2.64 0.00 0.00 6.88 8.06 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 71 D 8.72 4.43 0.00 2.69 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.28 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.88 4.77 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 74 F 8.08 4.53 0.00 3.03 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.69 4.17 0.00 2.01 1.92 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 2.33 2.31 0.00 76 E 8.61 4.18 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 77 I 8.15 4.22 1.96 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 1.46 1.10 0.94 0.00 0.00 78 P 0.00 4.20 0.00 2.43 2.10 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 79 E 9.03 3.92 0.00 1.89 1.97 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 2.32 1.93 0.00 80 E 7.96 4.06 0.00 1.83 1.92 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 1.47 1.85 0.00 81 Y 7.76 4.68 0.00 3.16 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 82 L 8.01 4.43 0.00 1.74 1.69 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *83 Q 7.94 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.