NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.2817 8.1185 123.5827 52.2667 20.9441 178.8192 11 A 3.7929 8.1448 118.5932 55.1576 18.5602 176.5271 12 E 3.9157 8.6592 111.9681 59.9011 30.4171 179.3385 13 L 5.0766 7.7152 126.3076 58.0679 40.7746 182.8610 14 E 4.0258 8.4350 120.2091 60.5317 30.3951 181.8728 15 V 4.0927 7.3783 118.7763 64.8140 33.0329 175.6785 16 E 3.9326 7.8549 122.3202 56.3228 28.3313 176.8146 *19 A 4.3644 8.1159 129.8759 52.9012 20.8829 177.6290 20 D 4.6102 7.6432 112.9799 55.1473 41.0378 177.1887 *22 Y 4.3112 7.9069 120.0712 57.1482 40.6133 175.9932 23 N 4.5540 8.0326 117.1647 56.3654 38.9633 178.2833 24 R 4.1807 8.2272 114.7669 57.2655 29.8014 178.7216 *26 T 3.9631 8.0786 115.8726 63.7052 70.2665 176.0296 27 S 4.0527 8.0275 113.6644 62.1726 62.4734 175.3570 28 A 3.9752 8.4581 123.3443 53.9930 17.8375 178.0098 29 C 4.1402 8.3418 116.7399 59.3445 40.5071 175.9965 30 H 4.1580 8.6595 122.9538 59.8144 29.2267 177.9310 31 R 3.8601 8.3139 121.6677 61.4275 29.4351 180.2155 32 K 4.1924 8.0294 118.0570 58.8810 32.1313 178.4081 33 C 4.5925 8.0264 114.4473 57.1441 42.1557 173.8405 34 V 4.0327 7.4093 119.8001 60.0167 30.6734 173.6003 35 P 4.2960 0.0000 0.0000 62.1290 31.7864 174.9558 36 P 4.3447 0.0000 0.0000 63.5243 31.2185 177.1133 37 H 4.6274 7.5679 115.4610 56.9466 31.1304 174.9682 38 Y 3.5948 7.2932 113.4583 58.9227 35.0599 170.4351 39 K 4.1450 8.0855 122.7964 58.7263 33.3313 176.3894 40 E 4.6958 7.8630 115.3410 53.9575 32.1950 176.0674 41 A 4.1843 8.8357 124.5600 54.1143 18.6993 177.1289 42 E 4.5324 7.5679 114.9884 54.2725 30.9951 176.1387 43 L 4.0554 8.3333 122.5122 54.5639 42.0645 177.8063 44 S 4.2847 8.9494 121.1195 58.3789 64.0614 174.9815 45 K 3.9648 8.7869 133.8919 60.9924 31.6952 177.5141 46 G 3.8199 8.4457 105.6967 47.4857 0.0000 174.8150 47 E 3.9152 8.1444 119.8801 58.8323 29.5979 179.9351 48 S 4.0787 7.8489 112.4091 61.1307 62.7520 176.0339 49 V 4.4467 7.7698 122.2214 65.8822 31.2482 176.6039 50 C 3.9708 8.2752 117.5797 60.1569 42.6490 175.1637 51 L 3.6335 7.8034 121.2829 58.3007 41.4458 179.0884 52 D 4.3665 8.1672 118.8861 57.3871 40.3399 178.8793 53 R 3.9309 7.8637 118.0872 59.3163 30.1923 179.2950 54 C 4.5073 8.4620 118.6135 59.6495 42.8902 175.8954 55 V 3.4825 7.4576 118.5506 66.0080 31.3003 177.6061 56 S 4.1014 7.9799 112.8531 61.5652 62.2375 176.0543 57 K 4.1401 9.2685 123.8063 59.0057 31.8882 177.8741 58 Y 3.7838 8.0976 119.6365 60.8984 38.7852 178.0379 59 L 4.1878 8.4904 120.0814 58.4514 41.7832 178.9563 60 D 4.3743 8.1331 118.3409 57.2070 40.5731 178.5496 61 I 3.7233 7.6786 121.3372 64.6431 37.2518 177.7855 62 H 4.2215 7.7310 118.4685 59.1418 30.2464 176.5896 63 E 4.1281 8.3428 121.1356 58.8660 29.3550 177.9674 64 R 4.5082 8.3397 118.6380 56.3539 30.6735 179.0965 *66 G 3.8003 8.0569 107.9589 45.6221 0.0000 175.3840 67 K 3.9580 7.3018 122.4082 58.9501 31.6195 179.6664 68 K 3.7734 7.8638 128.9523 59.7268 32.0838 180.3944 69 L 4.4119 7.5929 118.4091 58.5568 42.4721 178.4748 70 T 3.6798 8.6097 116.7782 66.6792 68.2123 175.7247 71 E 4.0966 8.7763 119.5245 57.7185 29.7540 177.3512 72 L 4.4291 8.5473 121.7097 56.6181 42.5563 176.6928 73 S 4.3857 7.9151 119.5545 58.6775 62.9783 179.2124 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 10 A 8.12 4.28 1.33 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 0.00 0.00 0.00 11 A 8.14 3.79 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 12 E 8.66 3.92 0.00 2.00 1.91 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 2.24 1.90 0.00 13 L 7.72 5.08 0.00 1.65 1.59 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.44 4.03 0.00 2.09 1.85 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 2.26 2.25 0.00 15 V 7.38 4.09 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 1.00 0.00 0.00 0.93 0.00 0.00 16 E 7.85 3.93 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 *19 A 8.12 4.36 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 20 D 7.64 4.61 0.00 2.78 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 *22 Y 7.91 4.31 0.00 2.99 3.16 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 0.00 0.00 0.00 23 N 8.03 4.55 0.00 2.94 2.87 0.00 0.00 7.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.23 4.18 0.00 1.88 2.01 0.00 3.38 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 *26 T 8.08 3.96 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 1.12 0.00 0.00 27 S 8.03 4.05 0.00 3.83 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 28 A 8.46 3.98 1.33 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 0.00 0.00 0.00 29 C 8.34 4.14 0.00 2.86 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.16 0.00 3.27 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.31 3.86 0.00 1.90 1.82 0.00 3.34 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 32 K 8.03 4.19 0.00 1.71 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.53 7.81 33 C 8.03 4.59 0.00 3.08 3.06 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 0.00 0.00 0.00 0.00 34 V 7.41 4.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 35 P 0.00 4.30 0.00 2.08 1.94 0.00 3.68 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 1.80 1.91 0.00 36 P 0.00 4.34 0.00 1.98 2.16 0.00 3.42 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 37 H 7.57 4.63 0.00 3.00 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.29 3.59 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.14 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 40 E 7.86 4.70 0.00 2.14 1.99 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 2.26 2.28 0.00 41 A 8.84 4.18 1.33 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 0.00 0.00 0.00 42 E 7.57 4.53 0.00 1.98 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 2.30 2.42 0.00 43 L 8.33 4.06 0.00 1.64 1.64 0.93 0.88 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 44 S 8.95 4.28 0.00 3.88 3.71 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 0.00 0.00 0.00 0.00 45 K 8.79 3.96 0.00 1.89 1.75 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.12 7.81 46 G 8.45 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.14 3.92 0.00 2.00 2.03 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 2.38 2.39 0.00 48 S 7.85 4.08 0.00 3.88 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 49 V 7.77 4.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.06 0.00 0.00 50 C 8.28 3.97 0.00 3.01 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 51 L 7.80 3.63 0.00 1.96 1.87 0.89 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.17 4.37 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.86 3.93 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 54 C 8.46 4.51 0.00 2.98 3.08 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 0.00 0.00 0.00 0.00 55 V 7.46 3.48 2.23 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 1.00 0.00 0.00 0.93 0.00 0.00 56 S 7.98 4.10 0.00 4.02 4.06 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 0.00 0.00 0.00 0.00 57 K 9.27 4.14 0.00 2.05 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.32 7.81 58 Y 8.10 3.78 0.00 3.36 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 59 L 8.49 4.19 0.00 1.92 1.80 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.13 4.37 0.00 2.93 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 61 I 7.68 3.72 1.78 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 1.34 0.39 0.76 0.00 0.00 62 H 7.73 4.22 0.00 3.21 3.54 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.34 4.13 0.00 2.17 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 2.40 0.00 64 R 8.34 4.51 0.00 1.97 1.88 0.00 3.19 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 *66 G 8.06 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 0.00 0.00 0.00 67 K 7.30 3.96 0.00 1.83 1.75 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.71 7.81 68 K 7.86 3.77 0.00 1.81 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.37 7.81 69 L 7.59 4.41 0.00 1.72 1.82 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.61 3.68 4.23 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 1.21 0.00 0.00 71 E 8.78 4.10 0.00 1.96 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 0.00 2.31 2.35 0.00 72 L 8.55 4.43 0.00 1.81 1.76 0.91 0.21 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 73 S 7.92 4.39 0.00 3.63 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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.