NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1P L 4.1596 8.1844 120.6283 54.5410 42.9866 176.1854 2P V 3.7702 8.2475 122.3690 61.4814 31.0124 173.6014 3P K 4.4751 8.6463 127.1337 54.3775 35.0727 175.6458 4P V 4.2181 8.1327 123.3554 60.2055 32.2631 173.4744 5P P 4.4281 0.0000 0.0000 62.4394 31.8730 175.9504 6P L 4.8049 8.3100 121.5205 52.9240 44.3295 176.1994 7P V 4.3459 8.1308 115.2308 59.4237 33.8629 175.3060 8P R 4.2924 8.4373 124.2484 55.2734 30.4581 175.5140 9P K 4.7437 8.1887 123.4166 53.8919 36.0006 176.0621 10P K 4.1413 8.3423 119.7914 56.2579 32.7063 178.1179 11P S 4.4139 8.3212 117.2736 57.7277 65.2500 175.1159 12P L 3.8882 8.3244 123.2393 58.1924 41.7524 178.8249 13P R 3.8128 7.8911 118.0387 59.7159 30.1255 178.2175 14P Q 4.0939 8.0673 117.6749 59.2745 28.3277 178.9085 15P N 4.4058 8.1562 117.3585 55.9698 38.4515 177.6291 16P L 4.0360 7.9613 120.6991 57.6361 41.7492 179.3316 17P I 3.6712 8.1819 120.1562 64.4251 36.9420 178.4250 18P K 4.2848 8.0421 118.2445 58.4467 31.9892 177.3388 19P D 4.8601 7.3915 115.6461 52.5690 42.6470 176.2241 20P G 4.0410 8.2536 108.1304 46.9974 0.0000 173.7891 21P K 4.5442 8.4172 116.1988 56.0094 35.5202 179.2564 22P L 4.1208 8.1094 120.3127 58.1091 41.8387 178.3924 23P K 3.8586 8.2101 117.7677 59.9984 31.8944 178.3466 24P D 4.3914 8.1897 117.9880 57.5841 40.9493 178.7618 25P F 4.0479 7.8663 119.3414 61.4918 39.1876 177.2813 26P L 3.9648 8.0552 119.5045 58.0776 41.4290 179.9600 27P K 4.1640 8.0741 123.6888 59.2461 31.7430 181.4443 28P T 4.5470 7.3006 107.4154 60.9799 69.4665 174.1417 29P H 4.6020 7.2750 117.2351 54.0843 32.7084 173.0369 30P K 4.2968 8.3142 123.3580 54.6794 32.2882 175.0957 31P H 4.4582 8.6696 127.0081 55.7902 30.4664 174.3078 32P N 4.7318 8.4625 124.4202 50.3521 40.4120 172.4817 33P P 4.4634 0.0000 0.0000 65.2587 31.2450 178.0865 34P A 4.5064 8.1585 119.2532 54.7004 18.0606 179.3056 35P S 4.2470 8.4520 112.4795 61.0142 63.0931 176.1927 36P K 3.8538 7.6717 122.4040 58.5040 31.8766 176.7304 37P Y 4.4579 7.2847 114.6503 57.7482 39.3633 175.6132 38P F 4.8316 7.9622 118.7451 54.6675 42.0671 173.7270 39P P 4.3747 0.0000 0.0000 65.2914 31.0570 177.1189 40P E 4.4399 8.1934 113.2387 56.4455 31.1269 181.7653 41P A 4.4216 8.2988 118.3997 52.3408 18.9639 177.1715 42P A 4.0802 7.8714 119.3805 52.5297 18.9356 177.2742 43P A 4.4083 8.3091 124.4078 51.6852 19.9924 178.5688 *44P L 4.2158 8.3553 119.8600 54.5704 41.0478 176.7892 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 1P L 8.18 4.16 0.00 1.65 1.67 0.92 0.59 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 2P V 8.25 3.77 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 0.77 0.00 0.00 0.93 0.00 0.00 3P K 8.65 4.48 0.00 1.75 1.68 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.38 7.81 4P V 8.13 4.22 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 0.83 0.00 0.00 0.93 0.00 0.00 5P P 0.00 4.43 0.00 2.08 1.96 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 6P L 8.31 4.80 0.00 1.59 1.54 0.92 0.88 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 7P V 8.13 4.35 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 0.70 0.00 0.00 0.93 0.00 0.00 8P R 8.44 4.29 0.00 1.76 1.84 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 9P K 8.19 4.74 0.00 1.72 1.65 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.41 7.81 10P K 8.34 4.14 0.00 1.73 1.74 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.36 7.81 11P S 8.32 4.41 0.00 4.03 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 12P L 8.32 3.89 0.00 1.73 1.66 0.85 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 13P R 7.89 3.81 0.00 1.88 1.89 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 14P Q 8.07 4.09 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 15P N 8.16 4.41 0.00 2.84 2.84 0.00 0.00 7.01 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16P L 7.96 4.04 0.00 1.78 1.66 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17P I 8.18 3.67 2.05 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 1.41 0.64 0.91 0.00 0.00 18P K 8.04 4.28 0.00 1.75 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 19P D 7.39 4.86 0.00 2.80 2.64 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 0.00 0.00 0.00 20P G 8.25 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 21P K 8.42 4.54 0.00 1.80 1.80 0.00 1.78 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.38 7.81 22P L 8.11 4.12 0.00 1.76 1.69 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23P K 8.21 3.86 0.00 1.95 1.88 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.54 1.13 7.81 24P D 8.19 4.39 0.00 2.74 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 25P F 7.87 4.05 0.00 3.21 3.25 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 0.00 26P L 8.06 3.96 0.00 1.84 1.73 0.99 0.79 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 27P K 8.07 4.16 0.00 1.85 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.32 7.81 28P T 7.30 4.55 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 1.22 0.00 0.00 29P H 7.28 4.60 0.00 2.29 2.91 0.00 5.63 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 30P K 8.31 4.30 0.00 1.92 1.71 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 0.95 7.81 31P H 8.67 4.46 0.00 3.23 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32P N 8.46 4.73 0.00 2.73 2.64 0.00 0.00 7.19 7.71 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 33P P 0.00 4.46 0.00 2.31 2.18 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 34P A 8.16 4.51 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 35P S 8.45 4.25 0.00 4.01 4.19 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 36P K 7.67 3.85 0.00 1.45 0.93 0.00 1.54 0.00 0.00 1.19 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.71 1.15 7.81 37P Y 7.28 4.46 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 38P F 7.96 4.83 0.00 3.16 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 39P P 0.00 4.37 0.00 2.22 2.22 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 40P E 8.19 4.44 0.00 1.99 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 2.14 1.85 0.00 41P A 8.30 4.42 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 42P A 7.87 4.08 1.25 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 0.00 0.00 0.00 43P A 8.31 4.41 1.24 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 0.00 0.00 0.00 *44P L 8.36 4.22 0.00 1.68 1.45 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.