NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 85 T 4.2117 8.2745 110.9391 61.1662 69.1473 173.9581 86 R 3.8816 8.6190 126.3791 55.4702 29.7302 172.0759 87 K 4.8056 9.1215 125.1034 51.5380 37.7645 174.7064 88 L 4.0110 8.0911 117.8370 56.7517 41.1236 179.7538 89 C 4.2613 8.9661 124.4831 60.9695 39.9065 174.9711 90 S 3.9057 8.5068 117.1382 60.3411 62.8790 174.6924 91 L 4.3546 8.0893 121.6289 52.9804 40.7732 181.5561 92 D 4.4434 9.4438 127.4654 54.5857 39.9777 173.7368 93 N 3.9858 8.8912 111.0912 54.1975 37.6925 174.3180 94 G 3.6801 8.6355 102.1215 45.8274 0.0000 174.5981 95 D 4.5341 8.1692 116.0932 54.2569 40.5317 173.4367 96 C 4.5685 7.6833 114.7703 57.0174 40.8463 173.7877 97 D 4.4534 8.6339 123.7820 56.9535 42.2809 177.2159 98 Q 4.4604 7.8226 111.7140 56.0525 30.6428 178.7668 99 F 4.7471 5.6310 126.3897 58.4401 40.5860 173.5913 100 C 5.5470 8.9928 124.4508 55.8291 43.9586 173.3261 *101 H 5.0631 9.1321 123.4386 53.4432 32.1552 169.8130 102 E 4.8680 9.0247 125.1703 55.2636 30.4358 176.4732 103 E 4.5539 9.3294 124.0633 55.3689 33.5970 172.2666 104 Q 3.5763 8.6158 123.0906 55.7425 26.3685 171.6225 105 N 5.1025 8.6726 108.0791 54.6361 39.0448 173.6642 106 S 4.7745 7.9227 112.0622 56.2540 66.6810 172.9573 107 V 4.4664 8.1129 120.7367 61.9911 32.6972 175.1515 108 V 4.4271 8.9411 127.3014 61.4156 34.0786 173.9381 109 C 5.3462 8.9069 125.3536 56.7258 36.6223 173.1114 110 S 4.5739 8.6237 114.3442 58.2844 66.1090 171.8613 111 C 4.7624 8.6213 114.8219 55.1470 38.5337 174.2622 112 A 4.3662 9.1520 126.2748 51.9581 18.6584 177.0350 113 R 4.2395 8.4198 120.0640 57.8481 30.7050 176.7458 114 G 3.9549 9.4329 112.8021 45.2453 0.0000 171.7319 115 Y 5.1903 7.7144 115.5516 56.0467 41.6002 175.0441 116 T 4.7821 9.1017 111.3415 59.4302 72.3447 173.0371 117 L 4.5028 8.5278 125.4804 55.2535 42.8889 176.6127 118 A 4.3269 9.2240 128.5711 51.2553 19.6210 177.8793 119 D 4.2750 8.8879 118.8655 57.7775 40.7988 178.2916 120 N 4.4150 8.1792 113.5153 53.1150 37.5616 175.4262 121 G 3.9994 8.7277 107.2226 46.3953 0.0000 174.0571 122 K 4.4822 8.6623 118.8845 57.3249 35.3887 176.5220 123 A 4.8377 8.1742 120.6575 51.3889 20.5858 176.7078 124 C 5.3749 9.1776 118.1586 55.2090 40.9345 173.6015 125 I 4.7257 8.9706 124.6237 58.7386 39.7664 173.3075 126 P 4.1869 0.0000 0.0000 62.5675 31.6081 176.2720 127 T 4.3366 8.2478 114.0541 61.6876 69.6295 174.3064 128 G 4.0351 7.3093 109.9772 44.1878 0.0000 170.4548 129 P 4.2692 0.0000 0.0000 62.6860 32.9374 175.0689 130 Y 3.6045 7.6726 114.8712 58.5507 34.8935 169.1286 131 P 4.3291 0.0000 0.0000 62.2291 32.6779 176.5476 132 C 4.3870 8.3996 115.0609 59.7684 29.9962 174.2328 133 G 3.9937 8.9985 109.2953 45.4419 0.0000 173.1614 134 K 4.6158 7.1648 119.1230 54.1443 33.9044 176.4908 135 Q 4.1640 8.5504 122.6378 56.0883 29.3174 176.0528 136 T 4.3365 8.3666 112.3123 61.2703 69.8488 174.6778 137 L 4.3560 8.4744 127.0683 56.6243 42.7743 177.0761 138 E 4.4543 7.9396 118.5923 56.4707 30.4045 180.0216 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 85 T 8.27 4.21 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 86 R 8.62 3.88 0.00 1.94 1.79 0.00 3.20 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 87 K 9.12 4.81 0.00 1.63 1.67 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 0.98 7.81 88 L 8.09 4.01 0.00 2.00 1.00 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.97 4.26 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.51 3.91 0.00 3.91 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 91 L 8.09 4.35 0.00 1.57 1.58 0.92 0.81 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 92 D 9.44 4.44 0.00 2.83 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 93 N 8.89 3.99 0.00 3.00 2.81 0.00 0.00 6.99 7.96 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 94 G 8.64 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.17 4.53 0.00 2.83 2.80 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 96 C 7.68 4.57 0.00 3.17 2.97 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 97 D 8.63 4.45 0.00 2.54 2.58 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 98 Q 7.82 4.46 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 99 F 5.63 4.75 0.00 2.95 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 0.00 100 C 8.99 5.55 0.00 3.09 2.94 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 *101 H 9.13 5.06 0.00 2.59 2.84 0.00 7.25 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 9.02 4.87 0.00 1.84 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 0.00 2.28 2.31 0.00 103 E 9.33 4.55 0.00 1.78 1.77 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 2.12 2.08 0.00 104 Q 8.62 3.58 0.00 2.23 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.48 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 105 N 8.67 5.10 0.00 2.66 2.81 0.00 0.00 6.51 7.57 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 0.00 106 S 7.92 4.77 0.00 3.97 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 0.00 107 V 8.11 4.47 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 0.78 0.00 0.00 0.94 0.00 0.00 108 V 8.94 4.43 2.10 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 0.95 0.00 0.00 0.94 0.00 0.00 109 C 8.91 5.35 0.00 3.02 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 0.00 110 S 8.62 4.57 0.00 3.98 4.03 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 0.00 111 C 8.62 4.76 0.00 2.82 2.84 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 0.00 0.00 0.00 0.00 112 A 9.15 4.37 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 0.00 113 R 8.42 4.24 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 114 G 9.43 3.95 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 0.00 0.00 0.00 115 Y 7.71 5.19 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 9.10 4.78 4.26 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 1.23 0.00 0.00 117 L 8.53 4.50 0.00 1.68 1.63 0.99 1.08 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 0.00 118 A 9.22 4.33 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 0.00 119 D 8.89 4.28 0.00 2.68 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 0.00 120 N 8.18 4.42 0.00 2.81 2.94 0.00 0.00 5.99 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.73 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 0.00 122 K 8.66 4.48 0.00 1.67 1.95 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.46 7.81 123 A 8.17 4.84 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 0.00 124 C 9.18 5.37 0.00 2.64 2.91 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 0.00 125 I 8.97 4.73 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 0.91 0.00 0.00 126 P 0.00 4.19 0.00 1.73 1.54 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 127 T 8.25 4.34 4.20 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 1.23 0.00 0.00 128 G 7.31 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 0.00 129 P 0.00 4.27 0.00 2.02 1.91 0.00 3.92 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 130 Y 7.67 3.60 0.00 3.18 3.02 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 0.00 131 P 0.00 4.33 0.00 1.93 1.76 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 132 C 8.40 4.39 0.00 3.19 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.00 3.99 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 0.00 0.00 0.00 134 K 7.16 4.62 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.58 7.81 135 Q 8.55 4.16 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 136 T 8.37 4.34 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 137 L 8.47 4.36 0.00 1.63 1.75 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 138 E 7.94 4.45 0.00 1.93 1.63 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 2.09 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.