NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3962 8.2929 115.2903 58.3086 64.6194 176.4410 9 N 4.1963 8.1124 120.6633 57.3895 37.3638 178.5809 10 T 4.4361 8.0824 120.1408 66.3350 69.0912 177.2604 11 Q 4.0089 7.8400 122.5658 60.0253 28.2348 182.2115 12 V 3.7619 8.0512 120.8359 65.9791 31.6268 177.8714 13 E 3.9713 8.4725 118.6765 59.6623 29.2530 179.7134 14 S 4.2343 8.2668 115.0440 61.4330 62.8403 176.6564 15 L 3.9803 7.8117 121.3528 57.8646 41.4178 179.5095 16 I 3.6695 8.0729 119.7237 64.4182 37.0131 178.2188 17 A 3.9785 8.3210 121.7845 55.2479 18.0832 179.1924 18 E 3.8732 8.3112 117.7343 59.6133 29.7024 179.2027 19 I 3.7564 8.0083 119.8831 64.3408 37.0959 178.4412 20 L 4.0319 8.4459 120.3559 57.7342 41.3415 179.7290 21 V 3.9757 8.1479 120.0141 65.2900 31.0754 178.1334 22 V 3.6028 7.5840 118.0622 66.1237 31.4425 178.0841 23 L 3.9950 7.7519 118.0662 57.8770 41.3317 179.3889 24 E 4.0197 8.5872 118.9449 59.3621 29.1614 179.5170 25 K 3.9929 8.6511 118.1002 59.5875 32.2160 178.3665 26 H 4.4452 8.0063 113.6668 55.3297 28.9649 175.4670 27 K 3.8351 7.9842 118.6913 56.7816 30.2260 175.2566 28 A 4.0637 7.6832 120.6984 51.5923 18.8415 177.5665 29 P 4.4975 0.0000 0.0000 62.3059 33.3920 177.9809 30 T 3.8626 8.3873 115.8616 67.0449 68.1889 176.4071 31 D 4.3641 8.0705 118.9514 56.6452 39.2824 177.9805 32 L 4.0876 7.7815 120.1671 57.7669 42.4407 178.6190 33 S 4.3306 8.2207 115.2954 61.4884 62.7729 177.7251 34 L 4.1261 8.0570 118.8847 55.2565 41.2138 178.9966 *36 A 4.2312 7.9425 123.5354 52.3176 20.6591 179.9367 37 L 4.1017 8.3854 116.3343 57.8588 41.4907 180.0724 38 G 3.5689 8.7347 105.9713 47.9564 0.0000 175.5735 39 N 4.3338 8.0986 118.5379 56.0821 38.5050 177.1963 40 C 4.1409 8.1275 118.3883 62.6151 28.1047 176.2615 41 V 3.3629 7.5865 119.7079 66.1954 31.0637 178.0455 42 T 3.7605 7.9830 115.7421 66.8881 68.2249 175.7325 43 H 4.4565 8.4594 121.5864 58.7116 29.8979 176.9430 44 L 3.9441 8.0125 120.5218 57.9921 41.5212 179.5672 45 L 3.9649 8.0568 118.8518 58.0241 41.4949 179.6106 46 E 3.9424 8.3354 118.4519 59.0107 29.1826 178.8575 47 R 4.2321 7.9231 117.0818 57.1370 30.4622 176.6893 48 K 4.5477 8.4783 114.6558 55.4891 34.1905 175.8158 49 V 4.3480 7.6590 119.3163 59.8294 33.7852 173.4136 50 P 4.2172 0.0000 0.0000 63.1515 31.5690 176.8909 51 S 4.1148 9.0076 117.0626 61.8555 61.9666 176.4435 52 E 3.7753 8.1844 118.1358 58.4281 29.7888 177.9306 53 S 4.6278 8.4116 114.9973 58.2446 64.2393 175.7342 54 R 3.8551 7.3685 122.2183 59.7798 29.6540 177.8434 55 Q 3.9333 8.0929 118.0668 59.0836 29.0887 177.9306 56 A 3.9767 7.9290 121.2075 55.2993 18.4717 179.6095 57 V 3.5573 8.5003 116.8743 65.9791 31.5484 177.9895 58 A 3.9919 8.4021 121.0139 55.2647 18.1660 179.2668 59 E 3.9481 8.6475 118.2012 59.5647 29.6718 179.0904 60 Q 4.0350 8.4002 118.2660 58.6525 28.6337 178.3871 61 F 4.0400 8.5991 121.8634 61.1659 39.4568 177.0549 62 A 4.0214 8.3047 120.4378 55.0893 18.2033 179.7262 63 K 3.8518 8.4329 117.1341 59.5341 32.1764 179.3373 64 A 3.8834 8.0132 121.0106 54.9802 18.1857 179.3538 65 L 3.6141 7.8561 118.7495 58.1489 42.0738 178.9144 66 A 3.9505 8.2738 120.9558 55.4114 18.2465 179.6102 67 Q 3.8841 8.5806 116.7136 59.0575 28.6784 178.7228 68 S 4.0136 8.4350 114.4476 61.5231 62.1658 176.2141 69 V 3.5308 7.7672 119.8043 66.0621 31.5399 177.4112 70 K 3.9527 8.2419 119.2681 59.9467 31.7907 178.5702 71 S 4.1485 8.1630 114.5837 61.9035 62.9336 176.4764 72 N 4.4479 8.2683 117.8434 55.2524 38.9731 175.7502 73 L 4.5441 8.2678 124.3788 55.5074 41.0010 177.1499 74 E 4.3026 7.8327 119.0466 56.0630 30.7287 177.8038 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 8 S 8.29 4.40 0.00 3.87 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 9 N 8.11 4.20 0.00 2.85 2.81 0.00 0.00 6.94 6.34 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 10 T 8.08 4.44 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 11 Q 7.84 4.01 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 12 V 8.05 3.76 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 13 E 8.47 3.97 0.00 2.07 2.00 0.00 0.00 0.00 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 2.51 0.00 14 S 8.27 4.23 0.00 4.04 3.91 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 15 L 7.81 3.98 0.00 1.94 1.73 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.07 3.67 2.05 0.00 0.00 0.87 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 0.67 0.92 0.00 0.00 17 A 8.32 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.87 0.00 2.34 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 2.31 2.36 0.00 19 I 8.01 3.76 2.01 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 1.52 0.99 0.92 0.00 0.00 20 L 8.45 4.03 0.00 1.79 1.72 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.15 3.98 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 1.33 0.00 0.00 1.00 0.00 0.00 22 V 7.58 3.60 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 23 L 7.75 4.00 0.00 1.90 1.70 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.59 4.02 0.00 2.13 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 2.57 0.00 25 K 8.65 3.99 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.72 7.81 26 H 8.01 4.45 0.00 3.21 3.37 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.98 3.84 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.51 7.81 28 A 7.68 4.06 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 29 P 0.00 4.50 0.00 2.34 2.00 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 30 T 8.39 3.86 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 1.22 0.00 0.00 31 D 8.07 4.36 0.00 2.83 2.82 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 32 L 7.78 4.09 0.00 1.64 1.90 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.22 4.33 0.00 4.06 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 34 L 8.06 4.13 0.00 1.83 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *36 A 7.94 4.23 1.35 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 37 L 8.39 4.10 0.00 1.83 1.77 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.33 0.00 2.87 2.86 0.00 0.00 7.12 7.66 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 40 C 8.13 4.14 0.00 3.12 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 41 V 7.59 3.36 1.89 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 0.35 0.00 0.00 0.46 0.00 0.00 42 T 7.98 3.76 4.35 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 1.27 0.00 0.00 43 H 8.46 4.46 0.00 3.28 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.01 3.94 0.00 1.84 1.68 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.06 3.96 0.00 1.75 1.68 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.34 3.94 0.00 2.07 1.94 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 2.29 2.45 0.00 47 R 7.92 4.23 0.00 1.62 1.90 0.00 3.17 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 48 K 8.48 4.55 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.32 7.81 49 V 7.66 4.35 2.25 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 0.82 0.00 0.00 0.92 0.00 0.00 50 P 0.00 4.22 0.00 2.21 1.98 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 51 S 9.01 4.11 0.00 3.87 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 52 E 8.18 3.78 0.00 2.16 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 0.00 2.27 2.39 0.00 53 S 8.41 4.63 0.00 3.80 3.91 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 54 R 7.37 3.86 0.00 1.90 1.94 0.00 3.08 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 55 Q 8.09 3.93 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 56 A 7.93 3.98 1.38 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 0.00 0.00 57 V 8.50 3.56 2.09 0.00 0.00 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 1.01 0.00 0.00 58 A 8.40 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.65 3.95 0.00 2.04 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 0.00 2.33 2.37 0.00 60 Q 8.40 4.04 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 61 F 8.60 4.04 0.00 3.22 3.28 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 62 A 8.30 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.43 3.85 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.61 7.81 64 A 8.01 3.88 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 65 L 7.86 3.61 0.00 1.37 1.69 0.82 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.27 3.95 1.35 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 67 Q 8.58 3.88 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 68 S 8.43 4.01 0.00 3.85 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 69 V 7.77 3.53 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 0.84 0.00 0.00 0.92 0.00 0.00 70 K 8.24 3.95 0.00 1.92 1.95 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 71 S 8.16 4.15 0.00 3.96 3.91 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 72 N 8.27 4.45 0.00 2.85 2.88 0.00 0.00 7.07 8.69 0.00 0.00 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 L 8.27 4.54 0.00 1.77 1.65 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.83 4.30 0.00 1.93 1.65 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 0.00 2.11 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.