NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0090 8.4487 107.8194 46.0674 0.0000 170.9837 2 A 4.6775 8.1118 126.3448 49.2339 21.8781 174.0030 3 Q 4.1120 8.7492 125.9696 55.2989 29.7291 172.2795 4 V 4.5643 7.8464 125.4044 61.1216 32.3349 175.0140 5 S 4.8650 8.1653 123.4488 56.8919 66.3685 173.0008 6 R 5.1100 8.0583 120.0089 54.5735 33.0613 174.7415 7 Q 4.3737 8.6132 120.6419 56.9407 33.9908 173.3632 *23 S 4.8050 7.7342 111.1130 58.9568 63.5402 172.9548 24 L 4.5305 8.3610 128.5448 53.8037 42.2916 174.4719 25 N 5.4960 8.4786 123.6690 51.5317 40.6949 173.4478 26 Y 4.9249 8.1330 124.1422 56.3062 41.3504 174.2961 27 F 4.6721 8.6874 123.9526 55.6601 40.8981 173.5098 28 N 4.3003 7.9414 123.3163 52.2047 37.9475 172.5923 29 I 4.4784 7.6224 123.3094 60.0745 38.4981 174.5473 30 N 4.6180 9.4718 125.9478 52.0289 39.9141 174.8291 31 Y 4.0527 8.3996 124.9450 59.6562 38.3530 175.9667 32 F 5.0140 7.9367 116.4273 55.5927 42.0983 174.8262 33 K 4.4892 8.7411 120.0699 56.5073 32.1595 176.4564 34 D 4.9873 7.8365 119.2097 52.0190 43.6803 176.8536 35 A 4.0222 8.7791 125.8477 55.2326 18.6195 179.6038 36 A 4.0761 7.9693 117.5972 55.2331 18.6511 178.9849 37 S 4.2522 7.9180 111.8485 61.2117 63.0622 175.1579 38 S 4.4467 7.6190 114.5182 57.7464 63.5103 175.0406 39 G 3.8858 8.2664 109.4402 44.6758 0.0000 173.0499 40 A 4.0620 8.5433 121.6938 52.6686 18.7435 178.1625 41 S 4.4221 8.3250 116.8519 58.1552 63.7324 174.5481 42 R 4.2973 8.2255 121.2495 55.9571 30.7913 176.0331 43 L 4.5709 8.2135 119.2072 54.3963 43.5689 176.7448 44 D 4.8981 8.6761 119.9510 53.6556 39.3753 174.4863 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 8.45 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.75 4.11 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 4 V 7.85 4.56 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 1.03 0.00 0.00 5 S 8.17 4.86 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 5.11 0.00 1.87 1.68 0.00 3.08 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 7 Q 8.61 4.37 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.34 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 *23 S 7.73 4.80 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.36 4.53 0.00 1.66 1.58 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.48 5.50 0.00 2.74 2.43 0.00 0.00 7.15 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.13 4.92 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.69 4.67 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.94 4.30 0.00 1.80 2.33 0.00 0.00 7.08 7.54 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 29 I 7.62 4.48 1.14 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.40 0.00 0.00 30 N 9.47 4.62 0.00 2.74 2.58 0.00 0.00 7.05 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.40 4.05 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.94 5.01 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.74 4.49 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 34 D 7.84 4.99 0.00 2.69 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 35 A 8.78 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.97 4.08 1.29 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 0.00 0.00 0.00 37 S 7.92 4.25 0.00 4.21 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.62 4.45 0.00 3.97 3.93 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 39 G 8.27 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 40 A 8.54 4.06 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 41 S 8.32 4.42 0.00 3.89 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 42 R 8.23 4.30 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 43 L 8.21 4.57 0.00 1.62 1.58 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.68 4.90 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.