NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3006 8.4345 117.0991 57.2133 63.2801 172.1575 *7 Y 3.8594 7.8568 121.4245 56.6264 36.5243 176.9868 8 R 4.5073 8.8651 126.2453 54.0589 32.2679 173.9855 9 C 4.6974 8.3411 113.4111 56.8264 40.9781 172.7461 10 P 4.1677 0.0000 0.0000 64.9743 31.0201 177.1761 11 C 4.7479 8.5870 116.2133 54.8873 42.2250 173.7523 12 R 4.0711 8.1398 121.3330 55.8740 32.4129 175.8180 13 F 4.9362 7.3693 114.0991 55.4202 42.1707 174.0760 14 F 5.0942 8.8255 121.2476 55.6255 42.6890 173.8765 15 E 4.7797 9.0155 123.1144 54.6165 31.3548 176.5683 16 S 4.5551 8.6757 118.0428 58.2952 64.2823 173.8513 17 H 4.8288 8.0305 119.1022 53.9912 28.4446 172.8472 18 V 4.4408 8.0847 121.9617 60.7676 34.7045 174.4815 19 A 4.3346 8.5421 130.0002 50.9996 19.8187 177.9381 20 R 2.7633 7.9462 122.8851 58.8170 30.0521 178.3232 21 A 3.9647 7.6666 119.0956 54.1664 18.6487 177.1579 22 N 4.7523 8.4368 114.4663 53.0316 38.9927 173.6002 23 V 4.6969 7.2965 116.2119 60.6926 33.3367 175.5434 24 K 4.3821 9.0482 127.9603 59.3436 32.7344 176.5415 25 H 4.9078 7.6582 112.5908 55.0697 31.6732 172.2461 26 L 5.2024 8.7856 118.5567 52.8443 44.1535 175.9094 27 K 4.5971 9.6151 125.8049 54.8696 34.1393 174.7768 28 I 5.0024 8.4631 127.7922 59.5203 39.6619 174.8564 29 L 4.8606 8.7893 126.3327 53.1097 45.4307 175.8064 30 N 5.6817 8.9149 120.9167 52.9323 40.6875 173.1726 31 T 4.6993 8.2850 115.9199 58.9878 72.1766 173.4279 32 P 4.2049 0.0000 0.0000 65.8171 31.5794 177.7926 33 N 4.4623 8.1828 115.1102 56.0213 39.0568 176.0419 34 C 4.5032 8.1422 113.2600 55.8619 36.2411 174.9409 35 A 3.5463 8.0649 123.0674 51.4405 17.2509 175.0853 36 L 4.7334 8.4022 117.1003 55.4529 42.9475 177.8737 37 Q 4.7786 9.3817 125.1641 54.1734 32.9638 174.1611 38 I 4.9642 8.5601 123.6293 59.4762 40.3537 174.3860 39 V 4.8435 8.9406 127.0862 60.9818 34.1653 173.9014 40 A 5.1489 9.1530 129.7608 50.2449 21.8423 175.2154 41 R 4.7111 8.3721 122.5390 54.9597 31.7712 175.6930 42 L 4.7363 8.8548 127.3119 54.4517 42.7600 178.0557 43 K 4.0805 8.8584 124.5164 59.4238 32.1454 178.2414 44 N 4.5306 8.7592 117.1361 55.1977 37.7629 175.3663 45 N 4.8660 7.6068 112.2064 51.4797 38.9191 174.2312 46 N 4.2275 8.1186 113.5514 54.5378 37.0673 174.3385 47 R 4.4255 7.3451 116.1407 55.8533 32.0434 175.2437 48 Q 5.0998 8.4802 119.8705 54.4162 30.8014 175.3953 49 V 4.4693 8.6855 123.4391 61.0408 35.2696 173.8318 50 C 5.0903 8.8250 125.4188 56.9028 41.1489 172.5559 51 I 5.2025 8.5842 117.2120 58.5773 40.5455 174.8485 52 D 4.3475 9.0549 124.6075 53.8961 41.5102 175.3224 53 P 4.2756 0.0000 0.0000 64.4250 31.4238 176.7838 54 K 4.2520 8.1014 118.2397 56.0036 32.0282 176.7694 55 L 3.8627 7.3170 120.4193 54.6699 42.1789 178.0401 56 K 3.8565 8.6831 123.6820 59.5367 32.2527 178.7419 57 W 4.5153 7.8390 114.8282 58.2946 28.2463 178.0081 58 I 3.3228 6.5185 120.5614 64.4791 36.4967 177.6755 59 Q 3.9495 7.9808 119.6485 59.4157 28.9727 178.0186 60 E 4.0283 8.2448 119.7147 59.2453 29.5359 177.9383 61 Y 4.1520 8.1881 119.2081 60.7124 39.0922 177.6700 62 L 4.3194 8.4914 120.1490 57.6306 41.6916 178.8926 63 E 3.9428 8.4285 119.4164 59.3174 29.7548 178.9053 64 K 3.9688 8.1153 119.0180 59.2069 31.9887 178.3712 65 A 4.2004 7.5605 119.8984 53.9684 18.5897 178.5717 66 L 4.3556 7.5057 117.8506 56.1299 42.1045 177.2629 67 N 4.5638 7.5891 120.2857 52.4447 37.5960 180.2621 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 6 S 8.43 4.30 0.00 3.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *7 Y 7.86 3.86 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 4.51 0.00 1.82 1.76 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 9 C 8.34 4.70 0.00 2.93 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 10 P 0.00 4.17 0.00 2.15 2.18 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 11 C 8.59 4.75 0.00 2.96 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 0.00 0.00 0.00 12 R 8.14 4.07 0.00 1.37 0.98 0.00 3.07 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 13 F 7.37 4.94 0.00 2.92 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 14 F 8.83 5.09 0.00 2.97 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 15 E 9.02 4.78 0.00 2.07 1.93 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 2.26 2.39 0.00 16 S 8.68 4.56 0.00 3.89 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 17 H 8.03 4.83 0.00 3.24 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.08 4.44 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.04 0.00 0.00 19 A 8.54 4.33 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 2.76 0.00 0.67 1.41 0.00 3.08 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.00 21 A 7.67 3.96 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.44 4.75 0.00 2.72 2.81 0.00 0.00 6.46 7.75 0.00 0.00 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 V 7.30 4.70 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 0.96 0.00 0.00 1.03 0.00 0.00 24 K 9.05 4.38 0.00 1.70 1.88 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 25 H 7.66 4.91 0.00 3.30 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.79 5.20 0.00 1.61 1.61 0.60 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.62 4.60 0.00 1.86 1.84 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 28 I 8.46 5.00 1.90 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 1.37 0.84 0.92 0.00 0.00 29 L 8.79 4.86 0.00 1.62 1.53 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.91 5.68 0.00 2.68 2.69 0.00 0.00 7.13 7.70 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 31 T 8.28 4.70 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 32 P 0.00 4.20 0.00 2.06 2.15 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 33 N 8.18 4.46 0.00 2.68 2.84 0.00 0.00 6.89 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 34 C 8.14 4.50 0.00 3.02 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 35 A 8.06 3.55 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 36 L 8.40 4.73 0.00 1.65 1.56 0.88 0.66 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 37 Q 9.38 4.78 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 38 I 8.56 4.96 1.87 0.00 0.00 0.77 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 0.85 0.87 0.00 0.00 39 V 8.94 4.84 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 1.03 0.00 0.00 0.94 0.00 0.00 40 A 9.15 5.15 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 41 R 8.37 4.71 0.00 1.81 1.43 0.00 3.22 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 42 L 8.85 4.74 0.00 1.62 1.56 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.86 4.08 0.00 1.75 1.99 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 44 N 8.76 4.53 0.00 2.86 3.10 0.00 0.00 6.79 8.14 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 45 N 7.61 4.87 0.00 2.85 2.99 0.00 0.00 6.32 6.96 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 46 N 8.12 4.23 0.00 2.90 2.93 0.00 0.00 6.92 7.11 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 47 R 7.35 4.43 0.00 1.88 1.84 0.00 3.09 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 48 Q 8.48 5.10 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 49 V 8.69 4.47 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 0.96 0.00 0.00 0.94 0.00 0.00 50 C 8.82 5.09 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.58 5.20 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.99 0.00 0.00 52 D 9.05 4.35 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.09 2.05 0.00 3.47 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 54 K 8.10 4.25 0.00 1.82 1.76 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.30 7.81 55 L 7.32 3.86 0.00 1.32 0.78 0.76 0.79 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 56 K 8.68 3.86 0.00 1.73 1.94 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.47 7.81 57 W 7.84 4.52 0.00 3.71 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.52 3.32 1.64 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.14 0.70 0.00 0.00 59 Q 7.98 3.95 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 60 E 8.24 4.03 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 61 Y 8.19 4.15 0.00 3.55 3.35 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 62 L 8.49 4.32 0.00 1.95 1.77 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.43 3.94 0.00 2.28 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 2.33 2.34 0.00 64 K 8.12 3.97 0.00 2.17 1.72 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.48 7.81 65 A 7.56 4.20 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 66 L 7.51 4.36 0.00 1.75 1.73 0.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.59 4.56 0.00 2.83 2.58 0.00 0.00 6.81 7.44 0.00 0.00 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.