NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 F 4.6213 8.3093 119.0060 55.6215 38.9981 173.3990 3 P 4.2862 0.0000 0.0000 62.5782 32.0694 175.3133 4 T 4.9189 8.2776 118.5742 61.7963 73.0693 173.6869 5 Y 5.0530 8.6294 122.7594 54.4533 41.9264 174.6718 6 K 4.4219 8.8609 121.0145 56.8292 32.9078 177.1781 7 C 4.6474 8.7091 123.2051 55.4621 39.7051 172.2523 8 P 4.3590 0.0000 0.0000 63.0617 32.6121 176.9622 9 E 3.9059 8.9495 121.7055 60.1776 29.3400 179.6508 10 T 3.9050 7.9847 112.0641 65.5030 67.2473 175.8163 11 F 3.9776 8.0281 118.9968 60.1586 38.7747 176.9896 12 D 4.2627 8.5671 117.0083 57.3819 41.1271 177.9467 13 A 3.6555 7.8540 119.8784 54.1092 18.4130 178.6984 14 W 4.9279 7.4004 112.9473 56.5171 30.7560 176.6599 15 Y 4.3488 8.2246 120.5188 60.5763 38.5397 174.8088 16 C 4.4008 8.0526 115.9828 55.8218 39.6766 173.4746 17 L 4.4724 8.3562 124.7405 54.2421 42.9471 175.8126 18 N 4.0479 8.9022 114.0038 54.6447 35.4090 173.7177 19 D 4.2372 8.0824 112.2891 55.3634 38.9955 173.2146 20 A 4.6336 7.0946 118.8012 50.9856 20.9422 176.8488 21 H 4.9430 8.7118 118.4627 54.5519 32.7620 171.9896 22 C 5.0066 8.6029 125.5359 55.8322 45.5739 172.3788 23 F 5.2488 8.7715 120.3628 54.9092 41.4709 173.4855 24 A 4.9375 8.8112 121.1278 50.1785 21.8677 175.5899 25 V 4.6461 8.4049 114.5013 59.2736 35.9094 174.5874 26 K 5.3041 8.8802 125.0319 55.0081 33.3840 175.5956 27 I 4.3495 8.4704 120.9303 59.9998 40.3174 175.2807 28 A 3.7816 9.4101 130.5781 54.9017 15.5224 176.5546 29 D 4.5224 7.9993 112.3589 53.5034 38.1789 175.0630 30 L 4.9849 7.3415 118.7087 53.0150 45.0784 174.0261 31 P 4.6451 0.0000 0.0000 62.3041 32.4467 175.3665 32 V 3.8600 8.9759 125.9529 60.9889 33.7205 173.6692 33 Y 4.7417 7.7954 125.7389 56.6962 39.1360 174.9079 34 S 4.8307 8.2812 119.8824 56.7642 67.7672 172.1697 35 C 5.2693 8.2270 116.2609 55.4103 41.0880 174.0927 36 E 4.6035 9.2792 124.4575 55.2255 29.9977 174.8179 37 C 4.8771 8.8422 124.8068 56.7360 42.1847 173.8455 38 A 4.4285 8.5671 123.6369 51.2311 19.7981 176.9404 39 I 3.7587 8.4104 119.6994 63.7019 37.5047 176.6626 40 G 3.9394 9.5369 113.1936 45.0422 0.0000 172.3950 41 F 5.2490 7.9601 117.2973 56.0118 42.4190 173.8633 42 M 4.6450 9.2504 119.3531 54.6940 33.9490 172.8376 43 G 4.2488 8.7754 104.6888 44.1942 0.0000 175.0401 44 Q 3.9647 8.8088 119.5415 59.0226 29.2237 176.8826 45 R 4.1211 8.4078 115.6170 55.7849 30.1013 175.8175 46 C 4.3122 7.4415 113.2997 58.1928 37.9569 174.0750 47 E 3.9575 8.1329 117.0607 56.9366 30.4522 175.1916 48 Y 4.9356 8.0201 118.3567 56.1311 40.7419 175.0084 49 K 4.2871 8.5767 122.4870 55.4621 33.1360 176.7813 50 E 4.1100 8.7386 125.3207 56.5972 30.1800 176.5007 51 I 4.3449 8.0961 124.0959 59.4037 39.2727 175.2825 52 D 4.4585 8.6241 123.4036 54.5291 41.0879 175.6481 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 F 8.31 4.62 0.00 2.32 2.19 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 3 P 0.00 4.29 0.00 2.31 2.13 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 4 T 8.28 4.92 4.25 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 1.18 0.00 0.00 5 Y 8.63 5.05 0.00 2.98 3.06 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 6 K 8.86 4.42 0.00 1.90 1.88 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.53 7.81 7 C 8.71 4.65 0.00 3.01 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 8 P 0.00 4.36 0.00 2.24 2.07 0.00 3.43 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.28 0.00 9 E 8.95 3.91 0.00 2.02 2.02 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 2.40 2.41 0.00 10 T 7.98 3.90 4.26 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 1.20 0.00 0.00 11 F 8.03 3.98 0.00 2.88 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 12 D 8.57 4.26 0.00 2.76 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 13 A 7.85 3.66 0.35 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 0.00 0.00 0.00 0.00 0.00 0.00 14 W 7.40 4.93 0.00 3.20 3.06 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 15 Y 8.22 4.35 0.00 3.11 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 16 C 8.05 4.40 0.00 2.99 2.94 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 17 L 8.36 4.47 0.00 1.54 1.46 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.90 4.05 0.00 1.96 1.56 0.00 0.00 6.94 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 19 D 8.08 4.24 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.09 4.63 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 21 H 8.71 4.94 0.00 3.27 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.60 5.01 0.00 3.02 2.89 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 23 F 8.77 5.25 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 24 A 8.81 4.94 0.74 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 0.00 0.00 0.00 0.00 0.00 25 V 8.40 4.65 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 26 K 8.88 5.30 0.00 1.97 1.78 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.48 7.81 27 I 8.47 4.35 1.87 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 1.20 0.85 0.90 0.00 0.00 28 A 9.41 3.78 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 29 D 8.00 4.52 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.34 4.98 0.00 1.65 1.46 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.65 0.00 1.37 2.01 0.00 3.60 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 32 V 8.98 3.86 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 0.91 0.00 0.00 0.80 0.00 0.00 33 Y 7.80 4.74 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.28 4.83 0.00 2.81 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.23 5.27 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.28 4.60 0.00 2.30 2.04 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 2.34 2.37 0.00 37 C 8.84 4.88 0.00 2.99 3.24 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 0.00 38 A 8.57 4.43 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 39 I 8.41 3.76 1.94 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 1.39 0.62 0.95 0.00 0.00 40 G 9.54 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 41 F 7.96 5.25 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.25 4.65 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 43 G 8.78 4.25 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 0.00 44 Q 8.81 3.96 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.46 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 45 R 8.41 4.12 0.00 1.77 1.64 0.00 3.15 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.32 0.00 46 C 7.44 4.31 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.96 0.00 1.69 1.79 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 1.47 1.56 0.00 48 Y 8.02 4.94 0.00 3.17 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.58 4.29 0.00 1.52 1.49 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.43 1.25 7.81 50 E 8.74 4.11 0.00 1.77 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 51 I 8.10 4.34 1.85 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 1.27 0.65 0.89 0.00 0.00 52 D 8.62 4.46 0.00 2.62 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.