NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1960 8.3149 120.1301 56.2119 33.4155 174.9177 7 I 4.6833 7.6555 123.7968 59.5326 40.5465 173.6020 8 Y 4.7898 8.6847 118.6308 56.6343 42.4096 175.3086 9 S 4.7571 7.7164 114.1476 54.9281 67.6233 172.6661 10 P 4.1924 0.0000 0.0000 66.3004 31.0588 178.8992 11 T 3.7601 7.8876 113.7697 66.8717 68.0927 176.2285 12 Q 4.0346 7.9144 121.2445 58.5211 29.0557 178.0187 13 L 3.9646 7.8114 121.1173 58.0556 42.2552 178.4329 14 A 3.6753 7.9780 120.8232 55.3877 18.2463 179.3186 15 N 4.2763 8.1221 114.5121 56.4805 38.4836 177.4886 16 A 4.1337 7.7453 121.6415 54.9139 18.4861 179.5620 17 M 4.1449 8.1006 117.5031 58.0477 32.2314 178.5309 18 K 4.1726 8.5092 121.6431 59.0274 32.4008 178.6335 19 L 4.0450 7.8541 119.6123 57.7241 41.7777 179.0584 20 V 3.6018 7.5513 118.8573 65.5287 31.4863 177.6028 21 R 4.1298 8.1805 118.6603 59.8510 29.8733 178.4680 22 Q 3.9021 8.1199 117.2663 59.2548 28.5880 178.6114 23 Q 3.9754 7.8142 117.4541 58.9029 28.7607 178.2470 24 N 4.1726 7.3458 114.9116 51.9033 38.4962 174.9726 25 G 4.0021 7.3677 107.8847 45.8870 0.0000 173.8793 26 W 4.9777 7.3042 118.2842 55.8622 30.5429 175.6565 27 T 4.6731 8.1277 114.0441 60.2320 69.5001 175.2053 28 Q 4.1979 8.5293 122.1101 58.3309 28.4150 178.9181 29 S 4.3002 7.9292 115.9193 60.9402 63.2825 175.7879 30 E 3.9027 8.2637 119.6627 59.5128 29.3164 178.9546 31 L 3.8745 7.9059 119.5140 58.0353 42.2816 178.8338 32 A 3.9671 7.8711 120.3640 55.0064 18.0197 179.7883 33 K 3.9340 8.3634 117.5580 59.5188 31.8946 179.7009 34 K 3.8408 7.5283 118.0730 58.2552 31.9687 177.6072 35 I 4.3721 7.2446 108.9329 59.6396 38.7712 175.7858 36 G 3.7893 8.5139 108.9442 46.2300 0.0000 172.6016 37 I 4.5748 7.2328 112.1323 57.8837 40.6601 174.7673 38 K 4.1952 8.2991 119.2094 55.8482 32.7909 178.0981 39 Q 3.8699 8.9608 123.3917 59.7585 28.8817 179.4335 40 A 4.1541 8.0311 120.3716 54.6791 18.3244 179.1151 41 T 4.1469 8.0568 114.5324 65.8502 68.8665 177.3786 42 I 3.8842 7.6772 121.7925 64.4517 36.8971 178.4373 43 S 4.2644 8.2377 115.1271 61.3821 62.9320 176.1813 44 N 4.4408 8.3944 120.2022 56.0543 37.9773 177.0671 45 F 4.3235 7.8040 121.5916 61.2312 39.7475 177.0621 46 E 3.7112 8.3714 118.0659 58.2997 28.9348 178.2616 47 N 4.9202 7.5272 113.6901 53.2468 41.0008 174.5663 48 N 4.8075 8.0130 118.7014 51.1689 39.3652 171.6824 49 P 4.5497 0.0000 0.0000 63.9170 32.4646 178.7576 50 D 4.3664 8.2391 118.8547 57.4023 40.7104 177.1665 51 N 4.6498 7.9774 113.2051 53.7876 39.3342 175.4754 52 T 3.8617 7.4075 115.0327 64.6116 69.0606 174.5698 53 T 4.3919 8.3566 116.3215 60.9734 71.5692 175.8199 54 L 4.2369 8.3851 120.8509 58.0621 41.4722 179.6578 55 T 4.0473 7.9726 112.9441 65.2887 67.2872 176.4345 56 T 3.8641 7.7173 116.9325 66.3999 68.4147 176.1940 57 F 3.7435 7.9074 122.3243 61.5943 39.3525 177.3945 58 F 3.4717 8.0723 116.7427 59.8568 38.5722 178.0278 59 K 3.9227 7.6244 118.5680 59.4672 31.9787 179.2938 60 I 3.5367 7.6491 120.2690 64.3013 36.9300 178.2829 61 L 3.8017 7.6775 121.3715 57.9793 41.7333 179.1337 62 Q 3.9536 8.0747 118.3856 58.9091 28.5189 178.7067 63 S 4.0515 7.7294 113.4643 60.5148 63.1630 175.4947 64 L 4.4708 7.4194 120.3961 54.4536 41.8223 176.2223 65 E 3.8826 8.2325 117.5368 57.6690 27.0032 174.0536 66 L 4.9107 7.9755 116.8454 52.9146 45.0841 176.2264 67 S 5.0100 8.2905 114.5718 56.8647 65.7671 172.6051 68 M 4.9146 8.3891 115.4402 54.4172 34.0221 173.2735 69 T 4.7378 8.1249 112.7236 60.5579 71.0501 172.4048 70 L 4.7407 8.2586 122.9954 53.1604 43.5241 176.0315 71 C 4.9683 8.1162 118.4156 57.9876 31.6977 174.1788 72 D 4.2124 8.5017 121.5759 57.1249 40.8124 176.5806 *83 N 4.3796 7.7985 118.3735 52.8909 39.3465 174.0529 84 L 4.0289 8.2480 125.8652 54.8710 42.2334 177.5127 85 E 4.2382 8.4484 121.1943 57.9441 30.0700 176.9845 86 W 4.4555 7.3747 120.4162 57.0331 27.5265 174.0687 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 K 8.31 4.20 0.00 1.82 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.45 7.81 7 I 7.66 4.68 1.76 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 0.68 0.87 0.00 0.00 8 Y 8.68 4.79 0.00 2.91 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 9 S 7.72 4.76 0.00 3.98 3.92 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 10 P 0.00 4.19 0.00 2.24 2.14 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 11 T 7.89 3.76 4.22 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 1.17 0.00 0.00 12 Q 7.91 4.03 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 13 L 7.81 3.96 0.00 1.88 1.85 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.98 3.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.28 0.00 2.91 2.87 0.00 0.00 6.97 8.06 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 16 A 7.75 4.13 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 17 M 8.10 4.14 0.00 2.40 2.53 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 18 K 8.51 4.17 0.00 1.78 2.05 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.35 7.81 19 L 7.85 4.05 0.00 1.82 1.80 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.55 3.60 2.26 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 0.99 0.00 0.00 1.00 0.00 0.00 21 R 8.18 4.13 0.00 2.09 2.22 0.00 3.45 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 22 Q 8.12 3.90 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 23 Q 7.81 3.98 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.02 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 24 N 7.35 4.17 0.00 1.89 1.42 0.00 0.00 7.21 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.37 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 0.00 0.00 0.00 26 W 7.30 4.98 0.00 3.55 2.99 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 0.00 0.00 0.00 27 T 8.13 4.67 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 Q 8.53 4.20 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 29 S 7.93 4.30 0.00 3.88 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 30 E 8.26 3.90 0.00 2.23 2.02 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 2.38 2.42 0.00 31 L 7.91 3.87 0.00 1.98 1.80 0.77 1.05 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 32 A 7.87 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 3.93 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 K 7.53 3.84 0.00 1.61 1.66 0.00 0.90 0.00 0.00 1.15 0.00 0.00 2.27 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.23 1.49 7.81 35 I 7.24 4.37 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.60 0.84 0.00 0.00 36 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 37 I 7.23 4.57 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.89 0.00 0.00 38 K 8.30 4.20 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.42 7.81 39 Q 8.96 3.87 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 40 A 8.03 4.15 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 41 T 8.06 4.15 4.40 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 1.23 0.00 0.00 42 I 7.68 3.88 2.07 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 1.71 1.19 1.02 0.00 0.00 43 S 8.24 4.26 0.00 4.17 4.35 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 44 N 8.39 4.44 0.00 2.99 2.97 0.00 0.00 6.57 7.41 0.00 0.00 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 F 7.80 4.32 0.00 2.98 3.40 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 46 E 8.37 3.71 0.00 2.08 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 2.32 2.69 0.00 47 N 7.53 4.92 0.00 2.79 2.81 0.00 0.00 6.68 7.88 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 48 N 8.01 4.81 0.00 2.59 2.66 0.00 0.00 7.30 7.26 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 49 P 0.00 4.55 0.00 2.20 2.07 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.77 0.00 50 D 8.24 4.37 0.00 2.69 2.79 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 51 N 7.98 4.65 0.00 2.73 2.88 0.00 0.00 6.87 7.54 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 52 T 7.41 3.86 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 T 8.36 4.39 4.29 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 1.25 0.00 0.00 54 L 8.39 4.24 0.00 1.85 2.05 1.03 0.58 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 55 T 7.97 4.05 4.30 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 1.25 0.00 0.00 56 T 7.72 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 57 F 7.91 3.74 0.00 2.88 3.19 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 58 F 8.07 3.47 0.00 3.21 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 59 K 7.62 3.92 0.00 1.90 1.78 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.70 7.81 60 I 7.65 3.54 1.54 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 0.75 0.00 0.00 61 L 7.68 3.80 0.00 1.02 1.37 0.76 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.07 3.95 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 63 S 7.73 4.05 0.00 3.84 3.98 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 64 L 7.42 4.47 0.00 1.71 1.91 1.06 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.23 3.88 0.00 2.34 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 2.29 2.31 0.00 66 L 7.98 4.91 0.00 1.70 1.55 0.97 0.67 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 67 S 8.29 5.01 0.00 3.99 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 68 M 8.39 4.91 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 69 T 8.12 4.74 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 1.22 0.00 0.00 70 L 8.26 4.74 0.00 1.67 1.56 0.95 0.83 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 71 C 8.12 4.97 0.00 2.86 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 72 D 8.50 4.21 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 N 7.80 4.38 0.00 2.69 2.78 0.00 0.00 6.99 7.78 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 84 L 8.25 4.03 0.00 1.54 1.41 0.77 0.81 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 85 E 8.45 4.24 0.00 2.04 2.16 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 2.32 2.32 0.00 86 W 7.37 4.46 0.00 3.38 2.95 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 * Residues marked with a * may have inaccurate shift predictions.