NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *37 N 4.7552 8.4249 117.7897 51.8992 39.7085 175.0553 38 Q 4.0612 8.2141 118.9729 54.5913 29.4762 173.6376 39 P 4.4059 0.0000 0.0000 61.4987 32.9499 174.5185 40 P 4.3645 0.0000 0.0000 63.1709 31.6180 176.3099 41 M 4.3163 8.3273 120.0842 55.2278 32.4054 176.2063 42 V 3.8401 8.5482 122.2350 61.7904 31.7000 174.4171 43 P 4.7198 0.0000 0.0000 62.8659 31.2328 174.7857 44 H 4.9899 7.4199 113.0207 54.0460 31.7563 172.7553 45 S 4.3078 8.5859 114.0844 58.6003 62.9640 173.9115 46 V 4.4915 8.1936 117.1406 60.9298 32.4937 177.3447 47 A 3.9429 7.7194 124.1037 55.0622 18.1546 178.5775 48 N 4.4761 7.4249 109.8163 53.4092 38.9823 174.0933 49 Y 5.1334 7.3363 116.5239 56.1375 40.1563 175.3181 50 Q 4.2838 9.5172 127.1527 55.7810 30.7675 175.1239 51 V 4.9070 8.4641 125.0095 61.6689 33.4645 173.7688 52 T 5.0426 9.2105 121.3049 60.3777 72.0548 175.2248 53 K 4.0234 9.1549 121.6769 57.7589 31.4484 173.3058 54 N 4.9854 8.1913 112.8009 52.5145 39.5819 174.4897 55 V 4.3660 7.8276 118.1589 61.0263 34.1167 173.8801 56 N 4.9983 8.4197 124.5161 51.2084 39.7866 174.1828 57 Q 4.1206 8.9462 125.1620 57.9417 28.9462 177.8011 58 C 3.8997 7.7611 118.5373 62.5362 28.0076 175.3342 59 L 4.2141 7.7442 118.9063 56.1502 41.0924 178.6473 60 N 4.3734 7.8221 116.5200 55.3923 38.2550 175.7660 61 C 4.5877 7.8147 116.6152 60.8320 30.4179 174.8203 62 H 4.6793 8.0146 115.5300 54.9262 29.0102 175.6264 63 S 4.6409 7.1636 116.9341 57.2866 63.6591 173.3836 64 P 4.2728 0.0000 0.0000 65.8348 31.0875 177.7711 65 E 4.1715 8.1337 113.7169 57.8126 30.2174 176.7178 66 N 4.8841 7.9426 115.7756 53.0645 40.7233 176.7489 67 S 4.4618 8.1729 118.0431 61.6430 62.7720 177.2216 68 R 3.9449 7.8146 122.8273 60.9314 29.3230 179.9745 69 L 4.2925 7.8043 120.0713 57.6639 42.3428 178.3855 70 S 4.4095 8.1003 112.0923 58.4087 63.5953 175.3984 71 G 3.8531 7.9086 109.5873 45.2728 0.0000 173.3821 72 A 4.2560 7.3546 122.5587 51.1166 19.3803 177.7453 73 T 3.9494 8.3729 119.4527 63.4662 69.1019 174.3428 74 R 4.4177 8.4335 126.9211 56.0024 30.9993 176.0503 75 I 3.8708 8.1990 120.3007 61.0314 38.1126 176.1820 76 S 4.5656 8.6895 120.6543 57.1918 64.4832 173.2412 77 P 4.4749 0.0000 0.0000 65.8731 30.6809 178.8099 78 T 3.9821 8.0727 107.4689 64.8941 68.8313 175.2529 79 H 4.3805 8.7472 117.9064 56.9060 28.6879 176.5145 80 F 4.6803 7.9592 117.9570 57.9830 41.0219 176.1273 81 M 4.4760 7.9973 117.7052 55.0143 31.7631 176.2527 82 D 4.7012 8.9681 123.5914 52.9598 41.4272 177.5883 83 R 3.9561 8.6050 116.4115 59.2934 29.1849 172.9947 84 D 4.7284 8.4088 114.0707 54.1939 41.0743 177.2303 85 G 3.9362 8.5074 110.8641 45.4965 0.0000 174.6622 86 K 4.2520 8.4314 122.6783 53.8227 32.5477 182.6605 87 V 4.0699 8.3250 122.5658 62.2907 32.7868 176.2303 *92 S 4.4891 8.1787 117.0687 56.9965 64.0477 172.5263 93 P 3.9262 0.0000 0.0000 63.4173 31.5308 177.3408 94 R 4.0679 8.4008 119.7214 58.6077 29.7288 175.3940 95 R 4.3791 7.7010 116.8301 55.3643 28.7656 174.6859 96 Y 4.2213 8.2129 121.7526 58.8590 40.5644 176.8641 97 F 4.5477 7.7883 120.6991 55.7639 37.8836 175.3224 98 C 3.9282 8.3534 122.7563 62.9228 28.2850 175.9328 99 L 4.5814 7.8475 115.0134 55.3712 41.5055 177.8545 100 Q 4.1877 8.1757 119.0709 58.1454 28.9642 176.7515 101 C 4.5991 8.1033 113.4379 60.8391 30.3286 173.7571 102 H 4.7887 8.0942 115.6979 54.6470 29.6204 175.2723 103 V 4.4060 8.2395 121.8434 61.0174 34.4453 175.2519 104 S 4.5544 8.5673 120.2764 58.6069 61.9886 173.6269 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 *37 N 8.42 4.76 0.00 2.48 2.66 0.00 0.00 6.73 6.57 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 38 Q 8.21 4.06 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 39 P 0.00 4.41 0.00 1.76 1.77 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 40 P 0.00 4.36 0.00 2.20 2.09 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 41 M 8.33 4.32 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 42 V 8.55 3.84 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 0.75 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.72 0.00 2.24 2.12 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 44 H 7.42 4.99 0.00 3.23 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.59 4.31 0.00 3.86 3.80 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 46 V 8.19 4.49 2.19 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 0.94 0.00 0.00 0.96 0.00 0.00 47 A 7.72 3.94 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 48 N 7.42 4.48 0.00 1.80 2.55 0.00 0.00 6.70 7.46 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 49 Y 7.34 5.13 0.00 2.89 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 50 Q 9.52 4.28 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 51 V 8.46 4.91 2.20 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 0.68 0.00 0.00 0.90 0.00 0.00 52 T 9.21 5.04 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 53 K 9.15 4.02 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.05 7.81 54 N 8.19 4.99 0.00 2.72 2.87 0.00 0.00 6.57 7.68 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 55 V 7.83 4.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.98 0.00 0.00 56 N 8.42 5.00 0.00 2.33 2.46 0.00 0.00 7.23 6.72 0.00 0.00 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 Q 8.95 4.12 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 58 C 7.76 3.90 0.00 2.88 2.86 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 59 L 7.74 4.21 0.00 1.72 1.67 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.82 4.37 0.00 2.65 2.82 0.00 0.00 6.76 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.81 4.59 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.01 4.68 0.00 3.21 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.16 4.64 0.00 4.15 4.09 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 0.00 0.00 0.00 0.00 64 P 0.00 4.27 0.00 2.04 2.14 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 65 E 8.13 4.17 0.00 2.07 2.07 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 2.27 2.27 0.00 66 N 7.94 4.88 0.00 2.75 2.84 0.00 0.00 6.58 6.93 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 67 S 8.17 4.46 0.00 4.25 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 0.00 68 R 7.81 3.94 0.00 1.93 1.89 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 69 L 7.80 4.29 0.00 1.60 1.84 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.10 4.41 0.00 4.00 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 71 G 7.91 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.35 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.37 3.95 4.28 0.00 0.00 0.00 0.00 0.00 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 74 R 8.43 4.42 0.00 1.84 1.85 0.00 3.26 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 75 I 8.20 3.87 1.61 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 0.67 0.00 0.00 76 S 8.69 4.57 0.00 3.99 4.09 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 0.00 0.00 0.00 0.00 77 P 0.00 4.47 0.00 2.23 2.21 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 78 T 8.07 3.98 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 1.24 0.00 0.00 79 H 8.75 4.38 0.00 3.28 3.12 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.96 4.68 0.00 2.97 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 81 M 8.00 4.48 0.00 2.20 2.01 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 2.62 2.70 0.00 82 D 8.97 4.70 0.00 2.91 2.90 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 83 R 8.60 3.96 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 84 D 8.41 4.73 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.51 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 0.00 0.00 0.00 86 K 8.43 4.25 0.00 1.71 1.70 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.24 7.81 87 V 8.33 4.07 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 0.89 0.00 0.00 0.98 0.00 0.00 *92 S 8.18 4.49 0.00 3.64 3.66 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 93 P 0.00 3.93 0.00 2.07 1.24 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.75 0.00 94 R 8.40 4.07 0.00 1.86 1.88 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 95 R 7.70 4.38 0.00 1.73 1.90 0.00 2.67 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 96 Y 8.21 4.22 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 4.55 0.00 3.39 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 98 C 8.35 3.93 0.00 2.95 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 99 L 7.85 4.58 0.00 1.68 1.74 0.97 0.98 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 0.00 100 Q 8.18 4.19 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 101 C 8.10 4.60 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.09 4.79 0.00 3.15 3.19 0.00 5.61 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 0.00 103 V 8.24 4.41 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 1.07 0.00 0.00 0.93 0.00 0.00 104 S 8.57 4.55 0.00 3.92 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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.