NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4609 8.3193 115.4158 57.6174 64.6385 173.2333 3 S 3.9975 8.6041 118.5042 58.8394 63.3415 172.0259 4 N 5.3476 9.5302 122.4104 52.7165 41.1505 174.6715 5 Y 4.7478 9.2230 117.9265 56.2579 42.8188 174.6423 6 V 4.7026 8.8722 121.5180 61.2811 33.9035 174.7044 7 L 4.7377 9.0925 128.6849 53.7847 43.7540 175.2257 8 H 5.3241 9.1836 121.4520 54.3421 30.4746 174.5621 9 T 5.4152 8.5517 114.0940 60.1308 70.9252 175.0030 10 N 4.8795 8.6367 117.9196 53.3221 39.0321 175.3251 11 D 4.8520 7.5474 117.4878 52.9478 39.7279 176.1466 12 G 3.8934 8.3833 105.2094 47.7007 0.0000 174.1506 13 R 4.9054 7.9457 117.5296 54.0350 33.8130 175.1374 14 T 4.9445 8.3613 110.6205 60.0018 71.4296 173.1004 15 I 4.5668 8.7583 126.5071 59.2935 40.5748 174.6331 16 V 4.4708 8.4140 126.3411 62.0604 33.0729 174.2974 17 A 5.0803 9.4488 129.4432 50.2833 22.2803 175.0728 18 E 4.9197 8.9099 121.9897 57.4328 29.7907 177.0744 19 G 4.0362 8.8276 110.9370 44.7659 0.0000 171.9219 20 K 2.7436 8.0914 121.4592 54.8903 32.5181 175.1248 21 P 4.6605 0.0000 0.0000 62.8585 32.0756 175.8083 22 K 4.6882 8.8491 121.1291 54.4442 37.1200 175.8165 23 V 3.8942 8.3776 122.5891 63.1490 32.4987 174.7567 24 D 4.7324 8.6032 127.5339 52.8111 41.7112 176.6797 25 D 4.4722 8.8987 126.9655 57.2129 41.1000 177.9464 26 E 4.1891 8.7603 118.5296 58.2424 29.6300 177.6264 27 T 4.4049 7.8253 106.2842 60.2975 70.9613 173.6861 28 G 3.5339 8.4873 109.5120 46.0876 0.0000 173.7085 *30 I 4.0842 7.4456 118.3381 61.0143 39.2460 175.6862 31 S 5.3739 9.1833 122.5939 57.1405 64.9344 172.3215 32 Y 4.9900 8.4959 123.1701 56.8782 42.1018 172.7774 33 T 5.0153 8.4885 115.6095 61.7370 71.7222 174.7786 34 D 5.2950 9.1131 125.5899 51.3937 40.9621 176.9271 35 A 3.9578 8.4763 121.2344 54.5568 18.1884 177.7036 36 Y 4.5646 8.3825 112.5260 57.4356 38.1454 176.8337 37 G 3.9278 8.4176 107.9298 45.5061 0.0000 173.4242 38 Q 4.3770 7.9590 121.4422 55.0877 30.6861 174.5764 39 Q 4.5415 8.5509 125.4805 55.8332 29.5627 175.2769 40 Q 4.5876 8.8366 122.2596 54.0940 33.2965 174.2986 41 Q 5.0772 8.3736 118.2802 54.4177 32.8349 174.5773 42 I 4.7067 8.8793 122.4939 58.8648 41.5447 174.4660 43 N 4.3213 8.9830 126.9896 53.9903 39.5575 175.6466 44 R 4.0269 8.8246 124.2090 59.5465 30.3478 178.3502 45 D 4.4622 8.8157 116.7304 56.2508 41.1118 176.3802 46 N 4.6314 8.5260 117.6370 52.9465 39.0014 173.7635 47 V 4.4993 7.4049 116.7688 61.4448 32.3795 175.1068 48 K 4.1490 8.9323 129.7837 59.2542 32.4740 175.8421 49 E 4.4267 7.5736 118.5728 55.3075 34.0710 173.1410 *51 A 4.2998 8.5589 121.5845 52.6364 20.5104 176.5278 52 K 3.5675 9.0020 123.6092 55.8621 32.6045 176.6231 53 G 3.7042 7.2337 115.0100 43.9391 0.0000 173.0801 54 K 4.1043 8.1743 119.6310 57.0231 32.9386 176.4304 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 S 8.32 4.46 0.00 4.04 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 3 S 8.60 4.00 0.00 3.90 4.06 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 0.00 0.00 0.00 0.00 4 N 9.53 5.35 0.00 2.63 2.77 0.00 0.00 6.90 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 5 Y 9.22 4.75 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.87 4.70 2.11 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 0.66 0.00 0.00 0.95 0.00 0.00 7 L 9.09 4.74 0.00 1.44 1.44 0.69 0.30 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 8 H 9.18 5.32 0.00 3.09 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.55 5.42 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 1.20 0.00 0.00 10 N 8.64 4.88 0.00 2.64 2.89 0.00 0.00 6.71 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 11 D 7.55 4.85 0.00 2.77 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 12 G 8.38 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 13 R 7.95 4.91 0.00 1.87 1.80 0.00 3.09 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 14 T 8.36 4.94 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 1.11 0.00 0.00 15 I 8.76 4.57 1.71 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.97 0.00 0.00 16 V 8.41 4.47 2.06 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 0.95 0.00 0.00 0.90 0.00 0.00 17 A 9.45 5.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.92 0.00 1.86 1.98 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 2.47 2.11 0.00 19 G 8.83 4.04 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 0.00 0.00 0.00 20 K 8.09 2.74 0.00 1.30 1.50 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.04 0.47 7.81 21 P 0.00 4.66 0.00 1.84 1.91 0.00 3.18 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 22 K 8.85 4.69 0.00 1.64 1.60 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.54 7.81 23 V 8.38 3.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 24 D 8.60 4.73 0.00 2.76 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 25 D 8.90 4.47 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 4.19 0.00 2.02 2.01 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 2.34 2.34 0.00 27 T 7.83 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 G 8.49 3.53 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 0.00 0.00 0.00 *30 I 7.45 4.08 2.03 0.00 0.00 0.85 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 0.71 0.94 0.00 0.00 31 S 9.18 5.37 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.50 4.99 0.00 3.00 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 T 8.49 5.02 4.28 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 1.25 0.00 0.00 34 D 9.11 5.29 0.00 3.04 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 35 A 8.48 3.96 0.99 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 0.00 0.00 36 Y 8.38 4.56 0.00 3.15 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 37 G 8.42 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 0.00 0.00 0.00 38 Q 7.96 4.38 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 39 Q 8.55 4.54 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 40 Q 8.84 4.59 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 41 Q 8.37 5.08 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 42 I 8.88 4.71 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.93 1.07 0.00 0.00 43 N 8.98 4.32 0.00 2.78 2.71 0.00 0.00 7.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.82 4.03 0.00 1.92 1.98 0.00 3.23 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 45 D 8.82 4.46 0.00 2.73 2.73 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 46 N 8.53 4.63 0.00 2.73 2.86 0.00 0.00 6.49 7.27 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 47 V 7.40 4.50 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 0.79 0.00 0.00 0.96 0.00 0.00 48 K 8.93 4.15 0.00 2.01 1.95 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 49 E 7.57 4.43 0.00 1.83 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 *51 A 8.56 4.30 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 52 K 9.00 3.57 0.00 1.42 1.53 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.99 0.33 7.81 53 G 7.23 3.70 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 0.00 0.00 0.00 54 K 8.17 4.10 0.00 1.82 1.76 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.