NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2578 8.1227 123.5788 52.4143 19.8320 175.6640 3 T 4.1963 8.1949 115.9009 61.4632 70.3519 171.5609 4 G 3.9383 9.7225 110.7564 45.4661 0.0000 175.2383 5 G 3.5222 7.8034 107.4752 47.7798 0.0000 176.0571 6 L 3.9401 8.2917 121.6667 57.1440 41.4909 179.4542 7 A 4.0468 7.9452 120.5851 55.1547 18.2529 179.5172 8 I 3.6445 7.8182 110.7738 64.2009 37.5778 178.3231 9 I 3.8662 7.4155 120.2196 64.0588 37.0787 177.7238 10 Q 4.1051 8.0828 119.3736 59.0187 29.7936 177.5679 11 S 4.1595 7.9319 117.0657 58.4242 63.3901 175.0408 *14 H 4.4720 7.7922 114.5427 55.6163 30.0840 174.1136 *16 L 4.1213 7.4064 117.5642 53.7409 43.3301 176.5905 17 P 4.4629 0.0000 0.0000 61.5822 33.2731 175.8459 18 P 4.2461 0.0000 0.0000 66.2480 30.8975 179.1327 19 S 4.1331 8.0158 112.1325 61.4505 62.9881 176.1058 20 E 4.0624 8.0888 121.7805 58.8447 29.2431 178.9314 21 R 3.8667 8.2912 119.3187 59.4577 30.2800 178.6760 22 K 3.9720 8.2441 118.3170 59.4062 31.9972 179.3522 23 L 4.0002 7.6589 117.6619 57.8795 41.5469 179.3502 24 A 4.0514 8.2336 120.8139 55.4057 18.2512 179.4632 25 D 4.2833 8.4160 117.5509 57.5142 40.7793 178.4231 26 Y 3.9029 8.0558 119.9109 60.6117 38.6266 177.8076 27 I 3.7794 7.8403 119.5971 64.5713 37.3447 178.1407 28 L 4.0757 7.9646 118.3883 57.6968 41.4689 179.1825 29 A 4.0108 7.7136 120.0263 54.1463 19.5631 177.5312 30 H 4.8248 7.7923 112.5934 53.9652 29.5898 172.0477 31 P 4.4034 0.0000 0.0000 66.0158 31.9327 179.5375 32 H 4.2145 8.0949 113.4295 56.2332 28.1292 176.7793 *34 A 4.4604 8.1480 125.0642 52.3201 20.0644 179.6176 35 I 3.9327 7.6815 106.9272 62.3087 37.9045 176.2156 36 E 4.7436 7.5741 119.5974 56.2027 29.8311 175.7972 37 S 5.0498 7.7201 114.2477 57.5891 66.0802 175.0459 38 T 4.4150 8.9810 114.9207 61.0232 70.9028 176.0861 39 V 3.0095 8.3038 120.3141 66.1952 31.4243 177.6434 40 N 4.5230 7.9352 116.8280 55.7655 38.3274 177.1438 41 E 3.8599 8.1864 119.8379 59.4878 29.6327 179.2899 42 I 3.5407 7.8387 119.0076 63.8622 37.9512 178.0792 43 S 3.9913 8.0569 115.1191 61.2325 62.8411 176.3635 44 A 3.9034 7.8235 124.3826 54.8825 17.9052 179.6285 45 L 3.6750 7.7823 116.4521 57.2945 41.6473 178.7275 46 A 4.2177 7.5766 117.7741 50.9956 19.9936 176.2098 47 N 4.0642 7.7239 115.2707 54.6417 38.1647 172.1431 48 S 4.5481 8.3791 114.3730 56.6201 65.1990 172.5513 49 S 4.7814 8.1819 111.8973 55.8877 66.9167 174.3538 50 D 4.2353 8.5030 121.4167 57.6123 40.4770 178.9667 51 A 3.9746 7.9864 120.3872 55.1618 18.3532 179.3920 52 A 3.9089 8.0046 119.2487 54.9713 18.3543 180.1068 53 V 3.4178 7.5623 116.4737 66.2141 31.3894 178.3451 54 I 3.7024 7.2666 117.6024 64.4898 37.0265 178.2725 55 R 4.0566 8.0364 118.0066 59.0713 30.0329 178.4348 56 L 4.3266 8.2241 120.4763 58.4368 41.9905 179.4813 57 C 4.3589 7.8366 112.4539 61.0577 27.5542 175.5974 *59 S 4.3624 7.9649 118.7500 58.5227 64.2168 174.8294 60 L 4.2210 7.7573 117.3036 54.7331 41.6964 177.3946 61 G 3.8665 8.1958 106.4548 45.9622 0.0000 173.3995 62 L 4.7252 7.6660 118.5712 52.8375 43.1489 177.4307 63 K 4.1383 9.2101 120.7879 57.1794 32.6295 177.9330 64 G 3.9506 7.3626 104.7457 45.5061 0.0000 172.1642 65 F 4.4465 8.5340 120.8495 61.2155 39.7900 177.3644 66 Q 3.9772 8.2674 118.6499 58.9590 28.7647 177.2450 67 D 4.3704 8.1368 115.7734 57.2029 41.7174 176.8817 68 L 4.1708 7.5248 122.2158 55.3724 39.5112 176.8451 *71 R 4.3085 7.8351 120.9910 55.8548 32.8596 178.5739 72 V 3.3336 8.0862 117.1566 65.9112 31.5077 177.6945 73 A 3.9962 8.0414 120.1877 55.3560 17.8377 179.5822 74 G 3.6808 7.8078 103.8087 47.5221 0.0000 175.1865 75 D 4.3970 7.6706 120.9473 57.0264 40.5167 178.8768 76 L 4.0838 7.8380 118.3718 57.5282 41.5984 179.1138 77 A 4.1233 7.8647 120.2766 53.8213 18.9397 178.2754 78 K 4.2321 7.5821 116.8591 55.5006 33.0901 176.1169 79 P 4.2489 0.0000 0.0000 66.3054 31.6040 178.4139 80 T 3.6683 8.0642 113.0118 66.4800 68.1650 174.7371 81 F 4.7618 8.0470 115.5176 57.1667 39.5236 175.8298 82 Q 4.3429 8.0132 120.9296 55.4814 29.5588 176.2575 83 G 3.6046 8.9381 109.1910 45.3947 0.0000 173.5951 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 A 8.12 4.26 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 3 T 8.19 4.20 4.23 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 1.21 0.00 0.00 4 G 9.72 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 5 G 7.80 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 0.00 0.00 0.00 6 L 8.29 3.94 0.00 1.20 1.59 0.58 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.95 4.05 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 8 I 7.82 3.64 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 1.70 0.63 0.93 0.00 0.00 9 I 7.42 3.87 1.86 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 1.42 0.64 0.92 0.00 0.00 10 Q 8.08 4.11 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.51 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 11 S 7.93 4.16 0.00 4.13 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 *14 H 7.79 4.47 0.00 3.20 3.34 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 L 7.41 4.12 0.00 1.66 1.65 0.92 1.16 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 17 P 0.00 4.46 0.00 2.15 1.97 0.00 3.76 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 2.18 0.00 18 P 0.00 4.25 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 19 S 8.02 4.13 0.00 4.03 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 20 E 8.09 4.06 0.00 2.18 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 2.54 2.36 0.00 21 R 8.29 3.87 0.00 2.03 2.04 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 22 K 8.24 3.97 0.00 1.84 2.03 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.69 7.81 23 L 7.66 4.00 0.00 1.93 1.74 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.23 4.05 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 25 D 8.42 4.28 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.90 0.00 3.21 3.03 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 27 I 7.84 3.78 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.95 0.95 0.00 0.00 28 L 7.96 4.08 0.00 1.57 1.71 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.71 4.01 1.07 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 0.00 0.00 30 H 7.79 4.82 0.00 2.44 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.40 0.00 2.08 2.29 0.00 3.65 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 1.95 1.93 0.00 32 H 8.09 4.21 0.00 3.31 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 A 8.15 4.46 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.93 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.67 0.90 0.00 0.00 36 E 7.57 4.74 0.00 1.96 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 2.46 2.28 0.00 37 S 7.72 5.05 0.00 4.17 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.98 4.41 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 39 V 8.30 3.01 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 0.87 0.00 0.00 0.79 0.00 0.00 40 N 7.94 4.52 0.00 2.77 2.81 0.00 0.00 7.63 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 41 E 8.19 3.86 0.00 2.16 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 2.30 0.00 42 I 7.84 3.54 1.89 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.21 0.51 0.00 0.00 43 S 8.06 3.99 0.00 4.00 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 44 A 7.82 3.90 1.34 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 0.00 0.00 45 L 7.78 3.67 0.00 1.03 0.27 0.76 0.86 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 46 A 7.58 4.22 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 47 N 7.72 4.06 0.00 2.80 2.80 0.00 0.00 6.80 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 48 S 8.38 4.55 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.78 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.50 4.24 0.00 2.66 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 51 A 7.99 3.97 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 52 A 8.00 3.91 1.34 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 0.00 0.00 53 V 7.56 3.42 2.03 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 0.52 0.00 0.00 0.73 0.00 0.00 54 I 7.27 3.70 1.99 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 1.63 0.91 0.91 0.00 0.00 55 R 8.04 4.06 0.00 1.94 2.21 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 56 L 8.22 4.33 0.00 1.78 1.88 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.84 4.36 0.00 3.25 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 *59 S 7.96 4.36 0.00 4.07 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 60 L 7.76 4.22 0.00 1.73 1.71 0.94 1.23 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 61 G 8.20 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.67 4.73 0.00 1.78 1.60 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.21 4.14 0.00 1.72 1.87 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.53 7.81 64 G 7.36 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.53 4.45 0.00 2.92 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.27 3.98 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 67 D 8.14 4.37 0.00 2.60 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.52 4.17 0.00 1.77 1.59 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *71 R 7.84 4.31 0.00 1.99 2.11 0.00 3.14 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 72 V 8.09 3.33 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 0.96 0.00 0.00 0.85 0.00 0.00 73 A 8.04 4.00 1.27 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 0.00 0.00 74 G 7.81 3.68 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 0.00 0.00 0.00 75 D 7.67 4.40 0.00 2.38 1.54 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 76 L 7.84 4.08 0.00 1.70 1.72 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.86 4.12 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 78 K 7.58 4.23 0.00 2.24 1.84 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.71 7.81 79 P 0.00 4.25 0.00 2.16 2.13 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 80 T 8.06 3.67 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 0.39 0.00 0.00 81 F 8.05 4.76 0.00 3.16 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 82 Q 8.01 4.34 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 83 G 8.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.