NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4387 8.4345 115.2983 58.0066 63.5520 174.5013 5 L 4.0723 8.6622 127.5906 54.5156 41.2893 173.9848 6 S 4.6322 8.3116 111.1268 59.3196 65.5664 173.4156 7 Y 4.6529 7.7865 121.3564 55.7980 39.6978 174.5382 8 R 4.3779 7.0797 121.2166 54.2930 31.1916 175.4556 9 C 4.2771 8.2524 117.0472 56.1454 40.7999 173.4173 10 P 3.9194 0.0000 0.0000 65.0396 31.1296 176.9168 11 C 4.2196 7.1155 116.1236 55.2209 40.0565 173.4677 12 R 3.8853 8.1656 126.4426 58.7425 29.9328 175.7076 13 F 4.8900 6.7664 109.3611 55.8564 40.6741 172.6780 14 F 4.8532 8.8806 118.9272 55.6001 41.2597 175.3551 15 E 4.5170 9.1345 126.0568 56.0920 30.0662 177.3868 16 S 4.6752 8.6947 114.9675 58.4485 65.0504 173.9396 17 H 5.0200 8.0397 118.1179 54.4592 28.2271 174.2261 18 V 4.4066 7.5118 117.2046 61.1724 35.1368 173.8851 19 A 4.5004 8.2623 128.8044 49.7160 21.9315 176.9203 20 R 2.5100 6.6665 119.1506 59.0335 29.7482 178.7586 21 A 3.9340 7.4149 118.0584 54.7561 18.5557 177.7438 22 N 4.5677 7.9232 112.2768 54.0791 39.0387 174.9321 23 V 4.8206 7.5315 118.0725 60.6381 34.6171 174.3092 24 K 4.5344 8.5958 124.4544 55.5249 36.1671 175.0964 25 H 4.1679 8.6074 113.4754 56.8458 26.0140 175.3052 26 L 4.4027 7.6856 117.5090 55.1726 42.5845 178.7908 27 K 4.7932 9.4070 122.5913 54.6222 36.8859 175.5557 28 I 4.4501 8.5652 124.8467 61.0587 37.9474 175.1264 29 L 4.4568 9.0102 130.8170 53.5062 42.7582 175.3838 30 N 4.7634 8.7383 126.4645 52.3732 39.5651 174.1651 31 T 4.7722 8.1688 115.7126 58.5284 71.7320 171.6190 32 P 4.2486 0.0000 0.0000 64.5187 31.5145 175.3436 33 N 4.3410 8.9895 117.5764 54.6098 37.2757 173.9873 34 C 5.0493 7.6387 110.7219 54.0432 43.1365 173.8739 35 A 4.1579 8.4750 125.8639 51.3518 18.6804 176.8197 36 L 3.8158 8.3623 120.5020 56.2470 42.2387 176.1904 37 Q 4.8495 8.8039 124.4006 54.4374 31.9006 174.3493 38 I 4.9017 8.5675 125.6808 59.6255 39.4656 175.0820 39 V 5.0006 8.9437 126.9910 61.3781 35.0951 173.9633 40 A 5.1042 8.6521 125.9086 51.9342 23.5644 174.8750 41 R 4.9919 8.7078 118.3826 54.2153 32.6318 176.4867 42 L 4.3766 8.8818 124.8317 54.8186 42.1928 177.8582 43 K 3.8512 9.4081 127.0585 59.7683 31.9309 177.8118 44 N 4.5512 8.2646 115.9376 54.8533 37.7179 175.1431 45 N 4.8561 7.6110 111.6235 51.2753 38.5087 173.7122 46 N 4.2189 8.4085 113.9283 54.1422 37.2038 174.0310 47 R 4.0069 8.1647 119.9081 56.4608 31.1864 175.4248 48 Q 4.6662 8.6574 128.0377 56.1103 29.8526 175.2321 49 V 4.5103 9.2347 119.3922 59.7179 36.0565 173.7478 50 C 5.1901 8.3472 119.7564 55.7770 42.1939 172.5649 51 I 4.9533 8.5789 124.5911 59.0886 39.2581 175.0138 52 D 4.3754 8.9901 126.9417 54.3743 41.4002 175.5886 53 P 4.2669 0.0000 0.0000 64.6632 31.6530 177.6746 54 K 4.0937 7.9409 116.7821 57.6902 32.4290 178.0944 55 L 4.0243 7.4498 120.0807 54.6758 42.9531 178.0816 56 K 3.9831 8.7345 123.1479 59.4057 32.2001 179.6388 57 W 4.3586 8.2393 116.3404 59.4263 28.0739 178.3929 58 I 3.2683 6.6800 120.5007 63.7304 36.4912 177.5634 59 Q 3.9646 8.3816 123.3912 60.0271 28.6416 179.1391 60 E 4.1414 8.3086 117.9617 61.2336 29.9290 179.7795 61 Y 4.6146 8.1861 120.8161 60.9659 38.4673 178.6487 62 L 3.7844 8.3978 119.8956 57.6755 41.6047 179.3764 63 E 4.0002 8.4739 118.5358 58.8232 29.0616 179.2417 64 K 3.8460 7.5434 118.0276 59.4186 32.2030 178.5000 65 A 4.2106 7.4711 118.3732 53.3484 18.4555 177.8209 66 L 4.4518 7.6611 117.9302 55.2434 42.9768 177.0646 *67 N 4.5292 8.0753 121.5562 52.5392 38.2400 178.5037 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 4 S 8.43 4.44 0.00 3.95 4.10 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 0.00 0.00 0.00 0.00 5 L 8.66 4.07 0.00 1.79 1.57 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.31 4.63 0.00 3.99 4.02 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 7 Y 7.79 4.65 0.00 2.95 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 R 7.08 4.38 0.00 1.74 1.69 0.00 3.02 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 9 C 8.25 4.28 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.92 0.00 2.09 2.13 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 11 C 7.12 4.22 0.00 2.59 1.87 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 12 R 8.17 3.89 0.00 1.64 1.70 0.00 3.37 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 13 F 6.77 4.89 0.00 3.14 2.96 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 0.00 0.00 0.00 14 F 8.88 4.85 0.00 3.03 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 15 E 9.13 4.52 0.00 2.10 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 2.52 2.36 0.00 16 S 8.69 4.68 0.00 3.88 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 17 H 8.04 5.02 0.00 3.20 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.51 4.41 2.29 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 0.93 0.00 0.00 1.03 0.00 0.00 19 A 8.26 4.50 1.05 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 0.00 0.00 0.00 0.00 0.00 20 R 6.67 2.51 0.00 0.67 1.19 0.00 3.08 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 21 A 7.41 3.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.57 0.00 2.86 2.84 0.00 0.00 6.21 7.17 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 23 V 7.53 4.82 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 0.90 0.00 0.00 1.00 0.00 0.00 24 K 8.60 4.53 0.00 1.75 1.74 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.30 1.24 7.81 25 H 8.61 4.17 0.00 3.36 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.69 4.40 0.00 1.48 1.52 0.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.41 4.79 0.00 1.59 1.67 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.58 7.81 28 I 8.57 4.45 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.95 0.00 0.00 29 L 9.01 4.46 0.00 1.60 1.62 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.74 4.76 0.00 2.72 2.74 0.00 0.00 7.01 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 8.17 4.77 4.46 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 1.28 0.00 0.00 32 P 0.00 4.25 0.00 2.09 2.06 0.00 3.96 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 33 N 8.99 4.34 0.00 2.92 3.10 0.00 0.00 6.86 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 7.64 5.05 0.00 3.27 3.08 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 0.00 0.00 0.00 0.00 35 A 8.48 4.16 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 36 L 8.36 3.82 0.00 1.56 1.57 0.92 0.60 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 37 Q 8.80 4.85 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.65 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 38 I 8.57 4.90 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.95 0.85 0.00 0.00 39 V 8.94 5.00 2.06 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 0.84 0.00 0.00 0.95 0.00 0.00 40 A 8.65 5.10 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.71 4.99 0.00 1.75 1.84 0.00 3.22 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 L 8.88 4.38 0.00 1.74 1.59 0.96 0.35 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 43 K 9.41 3.85 0.00 1.75 1.82 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 44 N 8.26 4.55 0.00 2.84 2.92 0.00 0.00 5.77 8.04 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 45 N 7.61 4.86 0.00 2.77 2.88 0.00 0.00 6.07 8.04 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 46 N 8.41 4.22 0.00 2.88 2.94 0.00 0.00 6.84 7.79 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 47 R 8.16 4.01 0.00 1.95 1.85 0.00 3.09 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 48 Q 8.66 4.67 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 49 V 9.23 4.51 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 0.84 0.00 0.00 1.00 0.00 0.00 50 C 8.35 5.19 0.00 2.54 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 4.95 1.83 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.84 0.00 0.00 52 D 8.99 4.38 0.00 2.92 2.57 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 53 P 0.00 4.27 0.00 1.92 1.97 0.00 3.43 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 54 K 7.94 4.09 0.00 2.08 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 55 L 7.45 4.02 0.00 1.28 1.43 1.10 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.73 3.98 0.00 1.85 1.93 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.49 7.81 57 W 8.24 4.36 0.00 3.63 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 58 I 6.68 3.27 1.68 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.35 0.76 0.00 0.00 59 Q 8.38 3.96 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 60 E 8.31 4.14 0.00 2.08 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 2.26 2.19 0.00 61 Y 8.19 4.61 0.00 3.22 3.22 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 62 L 8.40 3.78 0.00 1.81 1.63 0.89 0.81 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 63 E 8.47 4.00 0.00 2.15 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 2.50 0.00 64 K 7.54 3.85 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 65 A 7.47 4.21 1.19 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 0.00 0.00 66 L 7.66 4.45 0.00 1.56 1.62 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 8.08 4.53 0.00 2.49 2.63 0.00 0.00 6.65 7.56 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 * Residues marked with a * may have inaccurate shift predictions.