NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2839 8.2745 112.9183 59.8435 70.1975 173.8098 4 K 3.8748 8.3952 123.0302 54.4293 32.4626 177.2025 5 L 4.0405 9.3635 122.0237 58.8710 42.8182 178.9571 6 L 4.0149 7.9175 116.8990 57.3730 41.5890 178.4483 7 D 4.5336 7.7026 117.8243 56.1947 40.9641 177.7361 8 I 4.1378 7.7053 119.2945 61.4389 38.2518 176.2436 9 L 4.3015 7.3643 118.4996 54.0400 42.4739 175.8257 10 A 4.8682 8.0142 123.5221 49.9433 22.5206 175.5109 11 C 4.3020 8.6686 121.1461 58.7525 32.0135 173.3594 12 P 4.3422 0.0000 0.0000 65.1548 31.1740 177.4810 13 I 4.0504 7.1254 117.0632 63.3232 37.1417 176.5629 14 C 4.3683 7.9235 113.1307 57.5529 30.5606 174.8933 15 K 4.0015 8.1708 118.7719 57.1287 29.7756 176.0280 16 G 3.9747 7.2986 110.4516 43.3186 0.0000 171.9255 17 P 4.7300 0.0000 0.0000 62.7556 31.7636 175.4167 18 L 5.1680 8.1703 117.8389 52.9673 45.2340 176.1797 19 K 4.6981 8.6900 120.9750 54.1814 35.8879 175.3880 20 L 4.5763 8.5648 126.7366 54.8332 42.8637 176.7666 21 S 4.3920 9.1355 121.3107 58.1278 64.1068 175.2304 22 A 3.9556 8.7937 123.4889 55.5988 17.9846 178.5776 23 D 4.5444 8.0587 111.0403 53.1186 39.6440 176.4013 24 K 3.9291 7.9388 117.6061 57.9794 30.2606 175.7915 25 T 4.5842 8.2054 107.4689 61.7316 69.9547 173.5779 26 E 5.1675 8.3541 120.9166 55.3139 35.0466 174.1936 27 L 5.0101 9.2532 122.2768 53.2416 43.8903 175.5546 28 I 4.3387 8.7002 125.8747 60.2753 39.7837 174.6381 29 S 5.0436 9.3969 127.3602 56.6513 62.4527 174.9562 30 K 3.9740 8.6922 127.7109 56.9647 31.8963 177.8973 31 G 3.7436 8.1825 106.2211 47.6151 0.0000 173.7485 32 A 4.5078 7.3441 119.0038 50.9352 20.4936 176.5538 33 G 3.8861 8.3478 104.3824 46.3818 0.0000 173.1959 34 L 5.1907 7.5130 116.8831 52.3097 46.6279 175.3471 35 A 4.7731 8.7587 122.4417 50.3799 21.9638 174.7628 36 Y 4.8548 8.8539 121.7174 56.2865 39.6213 173.8629 37 P 4.8570 0.0000 0.0000 62.8698 33.2902 175.1984 38 I 4.7435 8.4123 122.9690 59.9182 38.9291 175.5299 39 R 4.3589 9.2614 127.6121 55.0564 31.8764 175.9730 40 D 4.3658 9.7635 125.0502 55.3520 39.3983 174.0729 41 G 3.9365 8.2469 103.1521 45.7070 0.0000 172.6736 42 I 4.3511 7.5637 121.2943 58.4187 39.3386 172.9219 43 P 4.9511 0.0000 0.0000 62.2234 31.3303 176.2619 44 V 3.9121 8.4387 125.7770 62.0955 33.1534 174.9955 *46 L 4.0855 8.1689 121.5719 54.3764 42.8828 178.1030 47 E 4.0962 9.0305 123.6700 59.3349 29.8570 179.0623 48 S 4.2598 8.1723 111.8770 60.4103 63.0241 174.3857 49 E 4.4592 8.0313 118.2059 56.0076 30.3581 175.7584 50 A 4.5711 7.6380 120.8020 51.3770 20.2109 176.5972 51 R 4.6139 8.5294 120.1062 54.7521 32.1830 175.4937 52 T 4.5599 8.3813 116.7460 61.0502 69.8466 174.5129 53 L 4.3775 8.4027 125.9814 55.0066 42.6886 177.3998 54 T 4.2374 9.2305 113.5770 61.1585 69.9802 175.8194 55 T 3.8937 8.6346 119.9810 67.5324 68.0932 177.3511 56 E 4.0164 8.0520 118.4130 61.1873 29.8693 180.3388 57 E 4.3097 7.8196 118.3044 59.2737 29.5957 179.2904 58 R 4.1229 7.7767 116.7324 57.3716 30.4062 177.1308 59 L 4.2846 6.7778 118.0794 54.0736 42.3731 176.2982 60 D 4.4464 8.4596 122.9584 54.2406 41.4149 177.4079 61 K 3.8618 8.7234 127.7169 55.3756 31.7594 175.3665 62 L 4.4122 8.3107 125.9523 51.9016 40.0789 172.5916 63 E 3.9965 8.1394 126.9538 57.4218 28.8513 178.2218 64 H 4.8089 7.1788 112.8974 54.4034 30.9135 175.8812 65 H 4.3857 9.0409 118.3729 59.2169 28.6782 176.2449 *66 H 4.5401 7.5724 117.7931 54.5168 28.5533 175.2111 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 3 T 8.27 4.28 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 4 K 8.40 3.87 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.06 7.81 5 L 9.36 4.04 0.00 1.75 1.69 0.92 0.57 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 6 L 7.92 4.01 0.00 1.66 1.74 0.93 1.12 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 7 D 7.70 4.53 0.00 2.74 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 8 I 7.71 4.14 1.99 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 1.52 0.52 0.90 0.00 0.00 9 L 7.36 4.30 0.00 1.64 1.58 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.01 4.87 1.23 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 0.00 0.00 0.00 11 C 8.67 4.30 0.00 3.13 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 12 P 0.00 4.34 0.00 2.14 2.03 0.00 3.58 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 13 I 7.13 4.05 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.95 0.00 0.00 14 C 7.92 4.37 0.00 3.11 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 15 K 8.17 4.00 0.00 1.97 1.99 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.52 7.81 16 G 7.30 3.97 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 0.00 0.00 0.00 17 P 0.00 4.73 0.00 2.20 2.09 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 18 L 8.17 5.17 0.00 1.54 1.63 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.69 4.70 0.00 1.68 1.66 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 20 L 8.56 4.58 0.00 1.65 1.58 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.14 4.39 0.00 3.92 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 22 A 8.79 3.96 1.30 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 0.00 0.00 0.00 23 D 8.06 4.54 0.00 2.78 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 24 K 7.94 3.93 0.00 1.92 1.94 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.41 7.81 25 T 8.21 4.58 4.25 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 1.32 0.00 0.00 26 E 8.35 5.17 0.00 1.93 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 2.23 2.29 0.00 27 L 9.25 5.01 0.00 1.72 1.71 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.70 4.34 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.33 1.01 0.00 0.00 29 S 9.40 5.04 0.00 4.01 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 3.97 0.00 1.81 1.72 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 31 G 8.18 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.34 4.51 1.30 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 0.00 0.00 0.00 33 G 8.35 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 0.00 0.00 0.00 34 L 7.51 5.19 0.00 1.06 1.08 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.76 4.77 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.85 4.85 0.00 2.91 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 37 P 0.00 4.86 0.00 2.14 2.20 0.00 3.98 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 38 I 8.41 4.74 1.98 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 1.26 0.68 0.92 0.00 0.00 39 R 9.26 4.36 0.00 1.79 1.83 0.00 3.29 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 40 D 9.76 4.37 0.00 2.73 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 41 G 8.25 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 42 I 7.56 4.35 1.98 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 1.52 1.11 0.90 0.00 0.00 43 P 0.00 4.95 0.00 2.06 2.11 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 44 V 8.44 3.91 2.12 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 0.78 0.00 0.00 1.00 0.00 0.00 *46 L 8.17 4.09 0.00 1.71 1.64 0.92 0.72 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 47 E 9.03 4.10 0.00 2.09 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 0.00 2.41 2.34 0.00 48 S 8.17 4.26 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.46 0.00 2.15 2.05 0.00 0.00 0.00 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 2.39 0.00 50 A 7.64 4.57 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 51 R 8.53 4.61 0.00 1.86 1.73 0.00 3.07 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 52 T 8.38 4.56 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 1.18 0.00 0.00 53 L 8.40 4.38 0.00 1.51 1.61 0.93 1.09 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 54 T 9.23 4.24 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 1.20 0.00 0.00 55 T 8.63 3.89 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 1.20 0.00 0.00 56 E 8.05 4.02 0.00 2.06 1.87 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 2.23 1.97 0.00 57 E 7.82 4.31 0.00 2.00 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 2.33 2.33 0.00 58 R 7.78 4.12 0.00 1.92 1.98 0.00 3.29 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 59 L 6.78 4.28 0.00 1.77 1.60 0.92 0.98 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 60 D 8.46 4.45 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 3.86 0.00 1.77 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 62 L 8.31 4.41 0.00 1.65 1.52 0.92 0.88 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 63 E 8.14 4.00 0.00 1.79 1.56 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 2.22 2.24 0.00 64 H 7.18 4.81 0.00 3.37 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.04 4.39 0.00 3.15 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *66 H 7.57 4.54 0.00 2.87 2.77 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.