NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Y 4.7526 8.1293 118.3287 57.5871 39.5963 175.2372 8 S 4.2297 8.6086 119.4398 58.0611 64.9842 174.4266 9 N 4.4551 9.2147 126.2812 58.3532 37.6192 177.9758 10 E 4.1742 8.1229 119.2075 61.1797 29.9421 181.8216 11 R 4.0499 7.8271 119.6437 59.1857 30.2193 178.6044 12 V 3.5304 7.7805 117.9392 66.0702 31.5276 177.5199 13 E 3.9954 8.6592 121.7407 59.8921 29.4736 179.5690 14 K 4.0349 8.2800 123.8421 59.8243 31.7604 181.0177 15 I 3.9104 7.9125 121.1246 64.2031 36.9456 178.6070 16 I 3.6892 7.7801 120.6507 64.5350 36.9641 178.3202 17 Q 3.9526 8.1388 120.2863 59.2684 28.6720 178.0410 18 D 4.3734 8.2303 120.1106 57.0707 40.7956 178.7445 19 L 4.0114 7.9593 119.6549 57.8933 41.5963 179.5922 20 L 4.0521 8.1833 118.9697 57.6278 41.4679 179.2757 21 D 4.3235 8.2699 119.2350 57.2349 40.6202 178.6946 22 V 3.5758 7.5113 118.7793 66.1371 30.9384 178.1892 23 L 3.9716 7.5053 117.8778 57.6980 41.4225 179.5623 24 V 3.5822 8.0169 118.4649 65.9882 31.2733 177.8474 25 K 3.8527 8.4168 118.2979 59.2909 32.0667 177.3413 26 E 4.2020 7.7855 116.2695 55.2469 30.3977 175.4114 27 E 3.7804 8.0883 116.5768 58.1278 27.7735 175.1762 28 V 4.0429 7.2335 109.4245 60.9257 33.1610 177.3894 29 T 4.3986 8.0079 112.4581 60.2409 71.4400 173.9248 30 P 4.2213 0.0000 0.0000 66.0892 31.1125 178.5306 31 D 4.3489 8.0232 115.6832 57.3810 40.8700 178.2880 32 L 4.0713 7.3630 117.7369 58.0425 42.4161 178.2675 33 A 4.2008 8.2997 121.1201 55.1127 18.2238 179.6867 34 L 4.3665 8.0413 116.9884 55.3914 42.0557 179.2502 *36 C 4.4772 8.0984 118.2112 59.9420 30.3371 176.5477 37 L 4.1418 8.1806 119.6491 57.5419 41.0848 179.7709 38 G 3.6085 8.4512 106.1287 47.9711 0.0000 175.5438 39 N 4.3452 8.1553 118.4510 55.7944 38.5683 177.2268 40 A 3.9542 7.9157 122.2882 55.1476 18.4172 179.8680 41 V 3.3584 7.9314 116.8921 66.3942 31.6798 178.3877 42 T 3.7826 7.9639 115.5229 66.5296 68.0141 176.1208 43 N 4.2887 7.9246 118.1252 56.6972 39.2734 176.7862 44 I 3.8410 7.5971 121.1971 64.4655 37.3831 178.5199 45 I 3.9014 8.0352 120.6546 63.9754 36.6533 177.6753 46 A 4.2417 7.6395 119.1746 53.5560 18.3547 177.9776 47 Q 4.1700 8.2920 115.9258 56.6724 29.4630 176.5142 48 V 4.2720 7.0484 110.6981 58.6884 33.4446 174.0210 49 P 4.2841 0.0000 0.0000 62.9352 31.3954 177.3367 50 E 3.8884 8.9025 122.3658 59.3280 29.6374 178.5517 51 S 4.4120 8.0201 110.6739 59.3795 63.4352 174.3076 52 K 4.5694 8.1250 119.7718 55.9871 33.8529 178.2516 53 R 3.8945 7.8466 118.6635 59.1688 29.8454 179.0072 54 V 3.5636 7.7374 117.3561 65.7951 31.5680 177.7802 55 A 3.9670 7.9100 120.0313 55.1496 18.2707 179.4832 56 V 3.5722 8.0335 117.2342 66.2174 31.5328 178.5728 57 V 3.6705 7.9775 118.8950 65.0227 31.1261 178.0339 58 D 4.4717 8.2977 120.9842 56.6502 40.6614 178.5641 59 N 4.3768 8.5468 117.2768 56.0896 38.5510 177.2320 60 F 4.1113 8.5905 122.6091 61.5733 39.0043 177.3598 61 T 3.8520 8.4372 109.7970 64.4822 68.5454 176.3753 62 K 3.8580 8.2402 122.3537 59.2330 32.2000 178.4825 63 A 3.9038 7.9740 120.9070 54.9840 18.2013 179.1598 64 L 3.7238 7.8171 121.1269 58.8345 42.0492 179.9657 65 K 3.9746 8.4339 126.2560 60.5036 31.6824 181.3108 66 Q 4.2584 8.3122 124.8941 60.9608 27.7594 181.6350 67 S 4.5384 8.2941 121.1876 63.0709 62.0580 178.5379 68 V 3.8253 7.6982 120.9958 65.8867 31.3277 177.9213 69 L 4.1226 7.9464 118.1893 57.6774 41.5653 178.8002 70 E 4.0782 8.0687 117.9363 58.1903 29.7137 177.0787 71 H 5.1193 7.8335 118.2043 55.5588 30.4142 174.8476 *72 H 4.7510 7.7394 117.6954 53.1356 29.3397 176.9914 73 H 4.6069 8.6573 121.1593 55.1941 28.6533 175.3495 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 7 Y 8.13 4.75 0.00 3.04 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 8 S 8.61 4.23 0.00 4.16 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 9.21 4.46 0.00 2.75 2.89 0.00 0.00 6.98 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 10 E 8.12 4.17 0.00 1.97 1.99 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 2.31 1.94 0.00 11 R 7.83 4.05 0.00 1.95 2.11 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 12 V 7.78 3.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 13 E 8.66 4.00 0.00 2.27 2.05 0.00 0.00 0.00 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 2.37 0.00 14 K 8.28 4.03 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 15 I 7.91 3.91 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.87 0.00 0.00 16 I 7.78 3.69 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.91 0.00 0.00 17 Q 8.14 3.95 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 18 D 8.23 4.37 0.00 2.90 2.69 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 0.00 0.00 0.00 0.00 19 L 7.96 4.01 0.00 1.93 1.71 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.18 4.05 0.00 1.81 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.27 4.32 0.00 2.86 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 22 V 7.51 3.58 2.26 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 1.03 0.00 0.00 1.00 0.00 0.00 23 L 7.51 3.97 0.00 2.02 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.02 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 25 K 8.42 3.85 0.00 1.82 2.02 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 26 E 7.79 4.20 0.00 2.04 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 2.29 2.38 0.00 27 E 8.09 3.78 0.00 2.09 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 0.00 2.26 2.26 0.00 28 V 7.23 4.04 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 0.74 0.00 0.00 0.97 0.00 0.00 29 T 8.01 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 30 P 0.00 4.22 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 31 D 8.02 4.35 0.00 2.62 2.74 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 32 L 7.36 4.07 0.00 1.67 1.85 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.30 4.20 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 34 L 8.04 4.37 0.00 1.85 1.70 0.93 0.84 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 *36 C 8.10 4.48 0.00 3.16 3.01 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 37 L 8.18 4.14 0.00 1.72 1.75 0.94 0.76 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 8.45 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.35 0.00 2.86 2.87 0.00 0.00 6.99 7.40 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 40 A 7.92 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.36 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 0.44 0.00 0.00 0.87 0.00 0.00 42 T 7.96 3.78 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 1.18 0.00 0.00 43 N 7.92 4.29 0.00 2.81 3.02 0.00 0.00 7.29 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 44 I 7.60 3.84 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.58 0.84 0.00 0.00 45 I 8.04 3.90 1.78 0.00 0.00 0.67 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 1.08 0.86 0.00 0.00 46 A 7.64 4.24 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 47 Q 8.29 4.17 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 48 V 7.05 4.27 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 0.67 0.00 0.00 0.96 0.00 0.00 49 P 0.00 4.28 0.00 2.17 1.99 0.00 3.61 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 2.12 2.10 0.00 50 E 8.90 3.89 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 51 S 8.02 4.41 0.00 4.02 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 52 K 8.13 4.57 0.00 1.90 1.82 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.36 7.81 53 R 7.85 3.89 0.00 1.88 1.96 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 54 V 7.74 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 1.13 0.00 0.00 0.93 0.00 0.00 55 A 7.91 3.97 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 56 V 8.03 3.57 2.14 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 1.13 0.00 0.00 1.02 0.00 0.00 57 V 7.98 3.67 2.14 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 1.00 0.00 0.00 0.97 0.00 0.00 58 D 8.30 4.47 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.38 0.00 2.96 2.91 0.00 0.00 6.66 8.90 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 60 F 8.59 4.11 0.00 3.21 3.27 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 0.00 0.00 0.00 0.00 61 T 8.44 3.85 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 1.39 0.00 0.00 62 K 8.24 3.86 0.00 2.00 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 A 7.97 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.82 3.72 0.00 1.51 1.66 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.43 3.97 0.00 1.76 1.81 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 66 Q 8.31 4.26 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 67 S 8.29 4.54 0.00 3.71 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 68 V 7.70 3.83 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 0.98 0.00 0.00 0.92 0.00 0.00 69 L 7.95 4.12 0.00 1.77 1.70 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.07 4.08 0.00 1.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 71 H 7.83 5.12 0.00 3.15 3.28 0.00 5.69 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 H 7.74 4.75 0.00 2.91 2.85 0.00 7.20 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.66 4.61 0.00 3.13 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.91 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.