NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2946 8.3344 115.2880 57.9206 62.7779 172.5067 3 I 4.1740 7.2372 119.5998 56.5474 39.7503 173.5040 4 T 4.3005 8.5465 119.1693 61.4634 71.9974 173.9485 5 S 3.8622 8.5511 113.3313 62.4666 62.0292 176.1064 6 D 4.4619 8.1465 121.0085 57.6820 40.7445 178.4956 7 E 4.0888 7.8209 119.3484 59.1626 29.5914 179.3373 8 V 3.7228 8.0846 119.1782 65.3299 31.1240 178.0607 9 N 4.5446 8.1408 117.0537 56.2244 38.4730 176.6928 10 F 4.0953 8.1645 120.7560 61.5229 39.4354 176.7803 11 L 4.1185 8.1760 119.6672 58.6474 41.8354 179.3468 12 V 3.6141 7.7709 117.7071 65.8207 31.1851 177.0938 13 Y 4.1631 8.3810 118.9837 61.5293 38.9054 177.7856 14 R 3.4680 8.4012 118.3182 59.5901 30.1197 178.0304 15 Y 4.0457 8.2191 118.0360 60.9927 38.8839 179.0489 16 L 4.1291 8.1817 119.6271 58.5621 41.6363 178.9331 17 Q 3.9067 7.9723 117.8265 58.7474 28.3215 178.5027 18 E 3.5425 7.8869 120.4126 60.1207 29.7516 179.6879 19 S 3.7806 7.3474 113.7085 59.4473 62.7940 175.4675 20 G 3.7884 8.5139 110.2264 45.2743 0.0000 175.2168 21 F 4.9162 7.1505 119.9839 56.6722 34.1703 175.0237 22 S 4.0511 8.0758 117.8454 62.2049 62.5999 175.0419 23 H 4.3534 8.0223 117.5704 59.1237 28.7144 177.5577 24 S 4.2037 8.4090 116.1877 62.2760 62.5786 176.1277 25 A 4.2376 8.2259 122.5889 55.6292 17.8040 178.9590 26 F 4.1971 8.1029 116.8339 62.2382 39.7415 177.4760 27 T 3.6824 8.1691 114.6112 66.9555 68.3301 176.1446 28 F 3.9968 8.6418 122.2529 61.3882 39.3414 177.4926 29 G 3.1195 8.2302 105.6156 47.3754 0.0000 175.7854 30 I 3.5523 7.4559 122.1058 63.9618 37.1132 178.1142 31 E 3.5949 7.6767 118.8176 58.6728 29.6332 177.1584 32 S 4.1022 7.4870 111.5810 57.2599 63.3066 173.4676 33 H 4.0141 7.7572 117.3510 56.3635 27.2260 176.6811 34 I 3.5226 7.5453 120.7519 64.3985 37.7910 177.2891 35 S 4.4036 7.9854 109.7385 59.6133 62.5731 174.0696 36 Q 4.5477 8.0000 118.4223 55.7106 29.4953 174.6895 37 S 4.6522 7.8575 113.4376 56.6620 63.8663 174.7958 38 N 4.7046 8.6207 128.6324 53.6503 37.7075 174.6224 39 I 4.2391 7.1861 118.4319 59.2396 39.8953 176.1145 40 N 4.4673 8.5022 123.5730 53.0522 38.0684 175.6660 41 G 3.5185 8.6926 115.0880 48.9020 0.0000 174.0276 42 T 4.2797 8.0105 106.0222 61.9740 68.4371 174.2917 43 L 4.8334 7.6990 122.0968 54.3903 42.3683 176.9579 44 V 4.4427 7.5218 116.5165 59.0835 34.3093 173.6936 45 P 4.4280 0.0000 0.0000 61.4276 31.9283 174.3517 46 P 4.0692 0.0000 0.0000 64.3173 32.3332 176.2318 47 A 3.8979 8.8657 122.1697 53.0114 16.7414 178.6396 48 A 4.1151 7.6709 127.5036 54.5207 18.7137 179.4010 49 L 3.8802 7.8871 118.5136 58.6101 42.5191 178.9895 50 I 3.7354 8.0352 119.4514 64.0814 36.9783 178.3136 51 S 4.3108 7.6547 114.4185 61.3853 63.5023 176.5018 52 I 3.8050 7.8420 124.2521 63.6927 36.6641 178.3355 53 L 3.9351 7.7656 119.8647 57.7324 41.4605 178.8919 54 Q 3.9067 7.6843 118.0048 59.5469 28.8889 179.6868 55 K 4.0989 7.9821 119.2462 59.2766 32.0694 179.2706 56 G 3.9142 8.0815 106.1463 48.1442 0.0000 175.6108 57 L 4.0289 8.1645 121.4428 57.6884 41.7477 179.6164 58 Q 4.3725 8.3837 119.5129 58.4991 28.3402 178.3667 59 Y 4.1264 8.1864 120.0502 60.1393 39.2296 177.3627 60 V 4.3722 7.6110 120.5492 65.5041 31.1514 177.7574 61 E 3.9477 8.5643 118.5140 59.4365 27.8919 179.0996 62 A 4.0686 7.7702 119.6112 54.2164 18.4640 179.0265 63 E 4.2094 7.7238 116.9194 58.4084 30.0609 178.7907 64 I 3.6764 7.5147 119.7419 64.4526 37.0944 178.4250 65 S 4.3222 7.5057 112.0429 60.6049 63.2948 175.4840 66 I 3.7005 7.1150 113.9841 63.5103 37.8581 176.2644 *67 N 4.5070 7.5094 121.4794 52.4440 38.1293 178.9611 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 S 8.33 4.29 0.00 3.83 3.86 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 0.00 0.00 0.00 3 I 7.24 4.17 1.86 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 1.47 0.92 0.91 0.00 0.00 4 T 8.55 4.30 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 1.21 0.00 0.00 5 S 8.55 3.86 0.00 3.93 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 6 D 8.15 4.46 0.00 2.76 2.77 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 E 7.82 4.09 0.00 2.27 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 2.32 2.32 0.00 8 V 8.08 3.72 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 0.95 0.00 0.00 0.97 0.00 0.00 9 N 8.14 4.54 0.00 3.12 3.19 0.00 0.00 6.52 7.99 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 10 F 8.16 4.10 0.00 3.36 3.23 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 0.00 11 L 8.18 4.12 0.00 2.19 1.86 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.77 3.61 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 0.71 0.00 0.00 0.96 0.00 0.00 13 Y 8.38 4.16 0.00 3.03 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 14 R 8.40 3.47 0.00 2.20 2.04 0.00 3.68 0.00 0.00 2.98 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 15 Y 8.22 4.05 0.00 3.07 3.17 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 0.00 0.00 0.00 16 L 8.18 4.13 0.00 2.01 1.84 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.97 3.91 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 18 E 7.89 3.54 0.00 1.71 1.88 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 2.24 2.32 0.00 19 S 7.35 3.78 0.00 3.15 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.15 4.92 0.00 3.19 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.05 0.00 3.93 3.70 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 23 H 8.02 4.35 0.00 3.30 3.41 0.00 5.71 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 24 S 8.41 4.20 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.24 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.20 0.00 3.10 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 3.68 4.33 0.00 0.00 0.00 0.00 0.00 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 28 F 8.64 4.00 0.00 3.21 3.32 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 29 G 8.23 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 0.00 0.00 0.00 30 I 7.46 3.55 1.64 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 1.41 0.58 0.75 0.00 0.00 31 E 7.68 3.59 0.00 1.72 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 32 S 7.49 4.10 0.00 3.53 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.76 4.01 0.00 3.21 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.55 3.52 1.49 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 1.35 1.36 0.62 0.00 0.00 35 S 7.99 4.40 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 36 Q 8.00 4.55 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 37 S 7.86 4.65 0.00 3.93 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 38 N 8.62 4.70 0.00 2.71 2.76 0.00 0.00 7.01 7.94 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 39 I 7.19 4.24 1.38 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 1.30 0.78 0.41 0.00 0.00 40 N 8.50 4.47 0.00 2.68 2.68 0.00 0.00 7.10 7.90 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 41 G 8.69 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 42 T 8.01 4.28 4.27 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 1.27 0.00 0.00 43 L 7.70 4.83 0.00 1.79 1.64 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.52 4.44 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 0.89 0.00 0.00 0.92 0.00 0.00 45 P 0.00 4.43 0.00 2.08 2.03 0.00 3.72 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 2.03 2.11 0.00 46 P 0.00 4.07 0.00 2.03 2.01 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 47 A 8.87 3.90 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 48 A 7.67 4.12 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 49 L 7.89 3.88 0.00 1.99 1.77 0.89 0.62 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 50 I 8.04 3.74 1.94 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 1.69 0.99 1.00 0.00 0.00 51 S 7.65 4.31 0.00 4.19 4.12 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 52 I 7.84 3.80 1.87 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 1.52 0.83 0.90 0.00 0.00 53 L 7.77 3.94 0.00 1.98 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.68 3.91 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 55 K 7.98 4.10 0.00 1.99 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 56 G 8.08 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 0.00 0.00 0.00 57 L 8.16 4.03 0.00 1.97 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.38 4.37 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 59 Y 8.19 4.13 0.00 3.01 3.20 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 0.00 0.00 0.00 0.00 60 V 7.61 4.37 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 1.31 0.00 0.00 1.08 0.00 0.00 61 E 8.56 3.95 0.00 2.24 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 2.50 0.00 62 A 7.77 4.07 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 63 E 7.72 4.21 0.00 2.07 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 0.00 2.02 2.06 0.00 64 I 7.51 3.68 1.84 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 1.69 1.16 0.89 0.00 0.00 65 S 7.51 4.32 0.00 4.00 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 66 I 7.12 3.70 1.84 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 1.16 0.61 0.90 0.00 0.00 *67 N 7.51 4.51 0.00 2.70 2.65 0.00 0.00 6.85 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.