NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 724 D 5.2749 8.1700 119.9223 54.6430 43.2237 177.3811 725 I 3.4663 7.9652 118.1692 62.9345 38.2513 174.0192 726 S 4.7061 7.9873 114.7100 56.5132 66.4266 172.2348 727 E 4.5956 8.3861 122.1684 54.4288 29.7603 175.0808 728 S 4.3893 8.1431 122.7048 58.7697 65.4120 177.0147 729 L 4.8620 8.1325 118.2540 54.6094 43.3378 178.8198 730 R 3.9400 5.8400 116.2291 58.7395 30.5394 179.1549 731 Q 4.3479 7.6406 118.6984 57.2810 29.7261 177.6783 732 G 3.7844 8.0756 106.6548 47.8712 0.0000 172.8595 733 G 4.1281 6.7649 104.9151 44.8407 0.0000 174.0988 734 G 4.0500 7.4960 123.5406 45.1169 0.0000 170.9700 735 K 4.8798 6.3714 115.6939 54.4052 37.7455 176.0055 736 L 5.7473 8.8478 120.0875 52.3462 44.6051 175.6739 737 N 5.2408 8.6777 119.3318 51.3553 43.3255 174.9681 738 F 3.9155 8.8037 121.6142 61.3513 39.9351 176.9272 739 D 4.4350 8.1917 119.5008 57.1285 41.3391 177.4313 740 E 4.1072 8.0632 119.2030 58.3739 29.8056 177.8245 741 L 4.0351 7.9630 120.9790 58.1651 41.7836 179.1620 742 R 3.8183 7.4229 116.8684 59.0180 29.6688 178.4102 743 Q 3.9159 7.9339 119.0643 59.2540 28.9699 178.0448 744 D 4.5802 8.0600 119.5315 55.7038 41.9475 178.3523 745 L 4.8243 7.5336 119.7910 53.9177 41.4545 176.3659 746 K 4.0514 7.1634 119.8954 59.3980 32.2721 177.6157 747 G 4.0157 8.9336 111.6540 45.0863 0.0000 173.1454 748 K 4.1807 7.9865 121.6140 56.3423 33.1846 177.2252 749 G 4.1018 8.8062 110.3273 46.5306 0.0000 172.6971 750 H 4.5918 8.8570 116.5915 57.1378 29.8957 175.7743 751 T 4.7887 8.6883 109.3628 59.3661 71.3189 174.8703 752 D 4.5767 8.7857 122.8200 57.5398 40.8534 178.8202 753 A 4.2080 8.1677 120.9500 55.1632 18.1497 179.3733 754 E 3.9554 8.0755 117.4589 59.6875 29.5377 179.5783 755 I 3.9561 7.8868 119.4679 64.2132 37.4259 177.7869 756 E 3.9881 9.1256 120.5666 59.1514 29.1458 178.8675 757 A 3.8401 7.8065 120.0844 55.0528 18.6932 179.1755 758 I 4.0010 7.6387 117.4244 64.1971 38.1083 178.1126 759 F 4.3865 8.3623 115.6093 60.1333 37.3448 177.5193 760 T 3.7890 6.7127 114.9741 66.2345 68.2989 175.6343 761 K 3.9966 7.7336 118.8948 58.3074 32.8233 177.1323 762 Y 4.5064 7.8604 113.9750 57.2706 38.3929 175.4594 763 D 4.7366 7.7125 120.9936 53.3709 42.2926 176.8449 764 Q 4.0072 8.8414 122.2533 58.8889 28.4660 176.9459 765 D 4.6368 8.3320 114.9076 52.8202 41.9438 176.0333 766 G 3.9641 7.8777 105.3066 47.6629 0.0000 173.4814 767 D 4.4887 8.1200 115.3036 53.5778 43.6273 173.7609 768 Q 3.1848 8.5173 132.1834 59.5300 26.9948 171.1935 769 E 4.2693 8.0109 127.8161 56.0467 30.3327 176.7664 770 L 4.7528 8.0984 120.2568 53.2633 43.7727 176.5245 771 T 4.5379 8.0690 119.0307 62.7450 71.4851 175.8038 772 E 4.0017 8.9788 122.9371 58.2156 27.7751 176.5655 773 H 4.2433 7.9493 116.1890 58.9327 28.5712 177.5368 774 E 4.3149 8.1585 119.9451 59.4463 29.2294 178.5492 775 H 4.2499 8.1055 117.3622 59.3152 30.0710 176.9297 776 Q 4.1343 8.0805 118.3759 59.1799 28.6578 178.2491 777 Q 4.0174 7.6344 120.3140 57.6246 28.5618 178.5475 778 M 3.4605 7.9060 117.9278 55.2654 31.8875 176.9936 779 R 4.5570 7.5112 116.5465 53.8236 32.8427 174.9149 780 D 4.4337 8.6040 121.9389 54.1442 41.3871 175.4669 781 D 4.5310 8.6328 126.5107 55.6419 41.9791 177.9383 782 L 4.0532 8.2095 120.1672 58.5083 42.3348 177.3223 783 E 3.9434 8.1451 117.7725 58.7440 29.5703 176.7194 784 K 4.2751 7.4816 117.5201 55.5979 32.0136 177.5300 785 E 4.4519 8.3538 128.8245 54.9368 28.0683 176.8247 786 R 4.0652 7.7488 116.8558 58.2780 30.6041 177.8233 787 E 4.4586 7.8176 116.9880 54.5986 30.9293 174.8973 788 D 4.4107 8.4543 122.5681 53.3516 41.7114 175.5802 789 L 4.1552 8.4175 129.2131 54.5189 41.6552 175.7964 790 D 4.6358 8.2642 126.1393 53.0716 42.5331 176.1166 791 L 4.0254 8.4218 122.3523 57.5295 42.2137 176.0220 792 D 4.8663 8.0187 116.9816 52.9457 42.4792 176.0692 793 H 4.9341 8.4059 124.5974 55.3960 30.9627 176.5712 794 S 3.7889 9.0377 117.4796 59.6471 62.4022 173.3164 795 S 3.8924 9.3592 124.6876 61.4093 62.7503 174.8994 *796 L 4.1398 8.5301 127.8407 55.0068 41.3513 179.1188 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 724 D 8.17 5.27 0.00 2.79 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 0.00 725 I 7.97 3.47 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.36 0.90 0.00 0.00 726 S 7.99 4.71 0.00 4.10 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 0.00 727 E 8.39 4.60 0.00 1.86 1.83 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 2.15 2.26 0.00 728 S 8.14 4.39 0.00 4.03 3.93 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 0.00 729 L 8.13 4.86 0.00 1.66 1.40 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 730 R 5.84 3.94 0.00 2.09 2.17 0.00 2.80 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 731 Q 7.64 4.35 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 7.01 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 732 G 8.08 3.78 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 0.00 0.00 0.00 733 G 6.76 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 734 G 7.50 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 735 K 6.37 4.88 0.00 2.15 2.02 0.00 1.39 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.53 7.81 736 L 8.85 5.75 0.00 1.55 1.55 1.04 0.47 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 0.00 737 N 8.68 5.24 0.00 2.69 2.66 0.00 0.00 6.76 8.12 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 0.00 738 F 8.80 3.92 0.00 2.94 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 0.00 739 D 8.19 4.43 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 740 E 8.06 4.11 0.00 2.16 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 2.33 2.34 0.00 741 L 7.96 4.04 0.00 1.90 1.65 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 742 R 7.42 3.82 0.00 1.93 1.87 0.00 3.10 0.00 0.00 2.55 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 743 Q 7.93 3.92 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 744 D 8.06 4.58 0.00 2.68 2.71 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 0.00 745 L 7.53 4.82 0.00 1.89 1.80 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 746 K 7.16 4.05 0.00 1.71 1.79 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.48 7.81 747 G 8.93 4.02 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 0.00 0.00 0.00 748 K 7.99 4.18 0.00 1.69 1.89 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.50 7.81 749 G 8.81 4.10 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 0.00 750 H 8.86 4.59 0.00 3.37 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 751 T 8.69 4.79 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 0.00 752 D 8.79 4.58 0.00 2.97 3.27 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 0.00 753 A 8.17 4.21 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 0.00 754 E 8.08 3.96 0.00 2.16 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 2.36 2.39 0.00 755 I 7.89 3.96 2.32 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 0.94 0.00 0.00 756 E 9.13 3.99 0.00 1.99 2.01 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 1.97 2.14 0.00 757 A 7.81 3.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 758 I 7.64 4.00 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 1.10 0.00 0.00 759 F 8.36 4.39 0.00 3.38 3.54 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 0.00 0.00 0.00 0.00 760 T 6.71 3.79 4.15 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 0.00 0.00 0.00 1.10 0.00 0.00 761 K 7.73 4.00 0.00 1.41 1.10 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.70 0.49 7.81 762 Y 7.86 4.51 0.00 3.17 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 0.00 763 D 7.71 4.74 0.00 3.00 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 0.00 764 Q 8.84 4.01 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 765 D 8.33 4.64 0.00 2.62 2.68 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 0.00 766 G 7.88 3.96 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 0.00 767 D 8.12 4.49 0.00 2.73 2.55 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 0.00 0.00 0.00 0.00 768 Q 8.52 3.18 0.00 1.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.76 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 769 E 8.01 4.27 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 770 L 8.10 4.75 0.00 1.72 1.92 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 771 T 8.07 4.54 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 772 E 8.98 4.00 0.00 2.08 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 2.26 2.22 0.00 773 H 7.95 4.24 0.00 3.26 3.34 0.00 5.81 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 0.00 774 E 8.16 4.31 0.00 2.07 2.06 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 2.41 2.56 0.00 775 H 8.11 4.25 0.00 3.18 3.39 0.00 5.73 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 0.00 776 Q 8.08 4.13 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 777 Q 7.63 4.02 0.00 2.43 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.91 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 778 M 7.91 3.46 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 779 R 7.51 4.56 0.00 1.78 1.80 0.00 3.17 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 780 D 8.60 4.43 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 781 D 8.63 4.53 0.00 2.81 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 0.00 782 L 8.21 4.05 0.00 1.65 2.10 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 783 E 8.15 3.94 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 784 K 7.48 4.28 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.41 7.81 785 E 8.35 4.45 0.00 1.97 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 2.29 2.30 0.00 786 R 7.75 4.07 0.00 1.92 2.07 0.00 3.03 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 787 E 7.82 4.46 0.00 1.99 1.92 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 2.26 2.29 0.00 788 D 8.45 4.41 0.00 2.62 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 0.00 789 L 8.42 4.16 0.00 1.68 1.62 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 790 D 8.26 4.64 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 791 L 8.42 4.03 0.00 1.63 1.64 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 792 D 8.02 4.87 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 793 H 8.41 4.93 0.00 3.13 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 794 S 9.04 3.79 0.00 4.03 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 0.00 795 S 9.36 3.89 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *796 L 8.53 4.14 0.00 1.40 1.47 0.92 0.70 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 * Residues marked with a * may have inaccurate shift predictions.