NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 555 M 4.3142 8.3049 118.7782 53.9944 34.2265 175.2650 556 W 4.3531 7.8209 120.5631 56.5040 30.3092 175.0627 557 K 4.8321 9.7550 123.7906 51.7171 36.1926 172.4698 558 P 4.6952 0.0000 0.0000 64.2303 31.5808 176.7576 559 G 4.1096 9.3275 112.2725 45.3215 0.0000 173.7371 560 D 4.6256 8.0495 120.4699 54.2951 41.7778 175.9920 561 E 4.6653 8.9158 123.6370 56.8589 30.5070 175.7571 562 C 4.9944 9.5324 120.2607 58.1091 34.1749 172.6202 *563 F 5.4254 9.5084 118.6686 55.6454 40.4829 171.2177 564 A 5.3403 9.2799 124.7255 49.0163 22.7751 174.8205 565 L 3.8230 8.4814 123.6655 54.9294 42.8523 175.5917 566 Y 4.9270 8.4801 128.0278 55.9897 39.7026 176.5307 567 W 4.1348 8.8402 123.7592 59.2066 28.5334 176.9145 568 E 2.9887 5.9000 118.6173 57.2235 29.0020 176.2641 569 D 4.5756 6.8262 113.5871 51.8554 40.7737 174.8710 570 N 4.2428 8.1833 115.3811 54.3156 36.8716 173.7885 571 K 4.6905 7.6062 115.1535 54.3368 36.1422 175.5890 572 F 4.9175 8.7503 121.9506 57.7577 39.6698 174.5528 573 Y 4.9792 9.4708 122.8439 56.2928 42.4898 175.6812 574 R 4.5210 9.0046 121.7913 57.8546 30.5401 176.1136 575 A 5.0101 9.2322 125.8127 48.9710 23.3817 173.8581 576 E 4.9344 8.5660 119.9773 54.0088 32.5597 175.3918 577 V 3.7682 8.7265 127.8792 63.4783 32.0015 175.8039 578 E 4.4294 9.2743 127.6215 57.7827 31.1987 176.3975 579 A 4.7582 7.7441 118.7575 50.4699 22.9582 174.8913 580 L 5.1049 8.3384 120.1549 52.9605 44.2739 176.1319 581 H 4.4845 9.2246 124.4253 55.9731 30.5875 176.5093 582 S 4.3432 8.6190 118.9838 60.5456 63.4290 175.6427 583 S 4.1435 8.4019 115.9203 59.8546 62.8595 175.4338 584 G 3.9744 8.2988 107.2035 45.6930 0.0000 173.7236 585 M 4.3588 8.0300 120.5089 56.1287 32.9214 175.8941 586 T 5.2756 7.5982 107.2636 59.8387 72.9468 172.6676 587 A 5.1695 8.8162 123.4158 50.1313 23.1650 175.1501 588 V 4.5033 8.7329 120.6302 62.2469 32.9421 175.5702 589 V 4.7195 9.0499 121.1268 59.3419 35.3008 174.6438 590 K 4.3871 8.3920 124.6544 54.2842 34.1961 175.3344 591 F 4.3819 8.6144 127.8185 57.5471 39.2003 177.0383 592 I 3.6525 8.6904 125.7585 64.5384 37.3522 177.5908 593 D 4.2145 8.2159 118.9136 57.2531 40.4922 176.8244 594 Y 4.5397 7.6311 113.3778 56.9967 38.8732 176.8673 595 G 4.1449 8.3499 107.9435 45.9455 0.0000 173.3777 596 N 4.8196 7.5305 117.6709 52.4114 38.8922 173.6951 597 Y 5.1297 8.8232 119.7412 57.2879 39.5943 174.7248 598 E 4.9520 9.3116 121.9430 54.7703 34.7638 173.8260 599 E 4.9077 8.8339 123.3706 55.6054 30.7485 175.7826 600 V 4.6939 8.8767 119.6905 59.1232 36.1994 175.3643 601 L 4.4606 8.4315 123.0658 54.7082 42.2547 178.6832 602 L 3.9174 8.6927 122.9666 57.6633 41.7224 179.0084 603 S 4.6599 8.1097 110.4426 59.2843 63.2721 173.7085 604 N 5.4686 8.5586 119.1937 53.1259 40.0883 173.5671 605 I 5.3252 7.9130 111.6403 59.1791 40.4048 174.6830 606 K 5.0373 9.3913 123.6301 54.1574 36.4026 174.4258 607 P 5.1300 0.0000 0.0000 62.1353 33.8435 176.2205 608 I 4.1668 8.1333 119.4055 61.7784 37.8644 175.5704 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 555 M 8.30 4.31 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 556 W 7.82 4.35 0.00 3.39 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 0.00 557 K 9.75 4.83 0.00 1.59 1.59 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.25 7.81 558 P 0.00 4.70 0.00 2.07 2.25 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 559 G 9.33 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 D 8.05 4.63 0.00 3.08 3.04 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 0.00 561 E 8.92 4.67 0.00 1.91 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 2.33 2.28 0.00 562 C 9.53 4.99 0.00 2.99 2.82 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 *563 F 9.51 5.43 0.00 1.92 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 0.00 0.00 0.00 564 A 9.28 5.34 1.04 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 0.00 565 L 8.48 3.82 0.00 1.16 1.45 0.31 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 566 Y 8.48 4.93 0.00 2.71 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 W 8.84 4.13 0.00 3.46 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 0.00 568 E 5.90 2.99 0.00 1.16 1.12 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 1.68 1.47 0.00 569 D 6.83 4.58 0.00 2.72 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 0.00 570 N 8.18 4.24 0.00 2.84 2.91 0.00 0.00 6.69 7.77 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 0.00 571 K 7.61 4.69 0.00 1.58 1.42 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.50 7.81 572 F 8.75 4.92 0.00 2.85 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 0.00 573 Y 9.47 4.98 0.00 3.14 2.92 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 0.00 574 R 9.00 4.52 0.00 1.50 1.86 0.00 3.19 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 575 A 9.23 5.01 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 576 E 8.57 4.93 0.00 1.95 1.68 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 2.16 2.34 0.00 577 V 8.73 3.77 2.25 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 0.87 0.00 0.00 0.63 0.00 0.00 578 E 9.27 4.43 0.00 2.08 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 0.00 2.46 2.60 0.00 579 A 7.74 4.76 1.21 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 0.00 0.00 0.00 580 L 8.34 5.10 0.00 1.56 1.63 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 581 H 9.22 4.48 0.00 3.28 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.62 4.34 0.00 4.02 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 0.00 583 S 8.40 4.14 0.00 4.02 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 0.00 584 G 8.30 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 0.00 585 M 8.03 4.36 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 586 T 7.60 5.28 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 1.23 0.00 0.00 587 A 8.82 5.17 1.14 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 0.00 0.00 588 V 8.73 4.50 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 1.12 0.00 0.00 0.97 0.00 0.00 589 V 9.05 4.72 1.64 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 0.40 0.00 0.00 0.44 0.00 0.00 590 K 8.39 4.39 0.00 0.97 1.35 0.00 1.40 0.00 0.00 1.25 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.01 0.64 7.81 591 F 8.61 4.38 0.00 3.03 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 0.00 592 I 8.69 3.65 1.94 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 1.38 0.82 0.87 0.00 0.00 593 D 8.22 4.21 0.00 2.37 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 0.00 0.00 0.00 0.00 594 Y 7.63 4.54 0.00 2.93 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 0.00 595 G 8.35 4.14 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 0.00 0.00 0.00 596 N 7.53 4.82 0.00 2.82 3.03 0.00 0.00 6.96 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 597 Y 8.82 5.13 0.00 2.90 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 0.00 598 E 9.31 4.95 0.00 2.18 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 0.00 2.68 3.09 0.00 599 E 8.83 4.91 0.00 2.00 1.86 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 2.26 2.35 0.00 600 V 8.88 4.69 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 0.85 0.00 0.00 0.86 0.00 0.00 601 L 8.43 4.46 0.00 1.74 1.61 0.94 0.62 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 0.00 602 L 8.69 3.92 0.00 1.77 1.81 1.11 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 603 S 8.11 4.66 0.00 4.04 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 0.00 604 N 8.56 5.47 0.00 2.80 2.80 0.00 0.00 6.48 7.69 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 0.00 605 I 7.91 5.33 1.52 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.15 0.81 0.00 0.00 606 K 9.39 5.04 0.00 1.61 1.65 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.21 7.81 607 P 0.00 5.13 0.00 2.08 2.04 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 608 I 8.13 4.17 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.