NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 555 M 4.3073 8.3049 118.7709 53.3736 33.5972 175.2411 556 W 4.5264 8.0775 119.0396 57.3333 28.4849 174.8333 557 K 4.5807 9.3536 126.4387 52.4147 33.5545 171.8664 558 P 4.5009 0.0000 0.0000 63.7853 32.1243 176.2384 559 G 3.7329 9.0330 110.6485 47.3742 0.0000 174.2487 560 D 5.0240 7.5386 117.8194 51.7046 44.5172 177.8407 561 E 4.8417 9.0198 122.5030 56.2547 30.7659 175.5825 562 C 4.9083 8.5297 115.7737 58.1014 33.8312 171.9009 563 F 5.5951 9.7438 118.0199 55.9005 41.1388 175.1265 564 A 5.4451 9.5074 124.7913 49.8614 22.7266 174.8369 565 L 4.1392 8.7822 124.3382 55.1685 42.8582 175.8401 566 Y 4.6705 8.6116 128.3895 56.5661 39.4492 176.4239 567 W 4.1376 8.6916 123.6926 59.4303 28.4487 177.2069 568 E 3.4206 5.9000 117.0773 56.8673 29.0397 176.4218 569 D 4.4043 7.5656 113.6266 53.7656 43.5767 176.4035 570 N 4.1156 8.2658 118.6130 54.2672 37.5768 175.0228 571 K 4.1631 7.3325 122.5967 54.7201 33.1921 181.2766 572 F 4.8564 8.3350 121.2629 57.2917 40.0097 174.7042 573 Y 4.4621 8.9974 121.9767 56.2359 42.7687 175.6605 574 R 4.7069 8.3228 121.7223 57.4096 31.1112 176.6785 575 A 5.1279 9.0838 124.7824 49.8413 23.5421 173.8179 576 E 4.8842 8.2646 116.9857 54.5965 33.1650 175.2773 577 V 3.7041 8.5106 127.8801 63.5387 32.1233 175.4795 578 E 4.5024 9.5976 126.9910 57.5098 31.3825 176.3579 579 A 4.7738 7.7444 119.2751 50.2054 23.0285 174.5152 580 L 4.9140 8.3921 120.5070 52.9870 44.0704 176.0257 581 H 4.4251 8.7553 123.9659 55.8397 30.3921 176.5024 582 S 4.3741 8.8441 119.9585 61.2163 63.1527 175.3836 583 S 4.1314 8.5285 115.3695 61.4408 61.8320 175.5218 584 G 4.0161 8.8303 105.4064 45.7750 0.0000 173.3860 585 M 4.8599 7.7833 117.7214 54.9675 34.7254 175.4074 586 T 5.2273 7.8310 107.6660 59.9353 73.1064 172.5023 587 A 5.0407 8.8074 122.5795 50.3241 23.2406 175.2466 588 V 4.4801 8.6913 120.8127 62.2121 33.3229 175.4694 589 V 4.6936 8.9765 120.3904 59.3659 36.2783 174.5316 590 K 4.3215 8.4250 126.2088 54.3990 33.4578 175.5254 591 F 4.5347 8.4183 128.0004 57.7126 39.0448 177.0968 592 I 3.6333 8.5240 127.8570 64.7102 37.2257 178.1947 593 D 4.4293 8.1202 118.6555 56.0115 39.3235 181.1828 *594 Y 4.4136 7.5034 114.4614 56.7766 38.4644 176.9135 595 G 3.8935 8.3956 107.7784 46.0798 0.0000 173.2050 596 N 4.8638 7.3875 118.4997 51.8126 38.9767 173.9212 597 Y 4.7932 8.8531 121.3647 57.8975 38.9905 174.7886 598 E 4.9430 9.5518 122.7711 54.7338 34.7465 173.8742 599 E 4.8865 8.8652 123.8195 55.7278 30.7236 175.8418 600 V 4.7190 8.7425 119.6272 59.1256 36.2018 175.4106 601 L 4.5239 8.4854 123.0403 54.7290 42.0572 178.6765 602 L 4.1450 8.6172 122.7766 57.5834 41.7405 179.3254 603 S 4.5316 8.1587 111.3472 59.9353 63.6262 174.0999 604 N 5.4236 8.2815 119.4247 53.0996 39.5604 174.0669 605 I 5.7616 7.4250 112.4816 59.3473 40.9749 174.9120 606 K 4.8962 8.2140 123.3095 53.9449 36.0334 174.2004 607 P 4.6958 0.0000 0.0000 63.7964 31.5619 176.2411 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 2.03 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 8.08 4.53 0.00 3.37 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 0.00 557 K 9.35 4.58 0.00 1.77 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 1.02 7.81 558 P 0.00 4.50 0.00 2.06 2.24 0.00 3.77 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 2.12 0.00 559 G 9.03 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 5.02 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 4.84 0.00 1.93 1.98 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 2.35 2.30 0.00 562 C 8.53 4.91 0.00 2.96 2.54 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 0.00 563 F 9.74 5.60 0.00 2.93 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 0.00 564 A 9.51 5.45 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 0.00 565 L 8.78 4.14 0.00 1.64 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 566 Y 8.61 4.67 0.00 2.58 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 W 8.69 4.14 0.00 3.49 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 0.00 568 E 5.90 3.42 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 2.29 1.86 0.00 569 D 7.57 4.40 0.00 2.88 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 0.00 570 N 8.27 4.12 0.00 2.84 2.87 0.00 0.00 6.84 6.99 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 0.00 571 K 7.33 4.16 0.00 1.41 1.68 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.29 7.81 572 F 8.33 4.86 0.00 2.89 2.85 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 0.00 573 Y 9.00 4.46 0.00 2.61 2.57 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 0.00 574 R 8.32 4.71 0.00 1.50 1.82 0.00 3.19 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.00 575 A 9.08 5.13 0.69 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 0.00 0.00 576 E 8.26 4.88 0.00 1.96 1.61 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 2.14 2.21 0.00 577 V 8.51 3.70 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 0.88 0.00 0.00 0.47 0.00 0.00 578 E 9.60 4.50 0.00 2.04 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 2.44 2.51 0.00 579 A 7.74 4.77 1.20 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 0.00 0.00 0.00 580 L 8.39 4.91 0.00 1.55 1.64 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 581 H 8.76 4.43 0.00 3.24 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.84 4.37 0.00 4.02 3.98 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 0.00 583 S 8.53 4.13 0.00 3.96 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 8.83 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 0.00 585 M 7.78 4.86 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 586 T 7.83 5.23 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 1.19 0.00 0.00 587 A 8.81 5.04 1.13 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 0.00 588 V 8.69 4.48 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 1.08 0.00 0.00 0.97 0.00 0.00 589 V 8.98 4.69 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.52 0.00 0.00 590 K 8.42 4.32 0.00 0.84 1.29 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.97 0.41 7.81 591 F 8.42 4.53 0.00 2.97 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 0.00 592 I 8.52 3.63 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.90 0.00 0.00 593 D 8.12 4.43 0.00 2.69 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 *594 Y 7.50 4.41 0.00 2.20 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 0.00 595 G 8.40 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 0.00 596 N 7.39 4.86 0.00 3.20 3.01 0.00 0.00 7.04 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 8.85 4.79 0.00 2.89 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 0.00 598 E 9.55 4.94 0.00 2.07 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 2.72 3.12 0.00 599 E 8.87 4.89 0.00 2.01 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 2.28 2.36 0.00 600 V 8.74 4.72 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 0.79 0.00 0.00 0.94 0.00 0.00 601 L 8.49 4.52 0.00 1.77 1.65 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 602 L 8.62 4.15 0.00 1.83 1.89 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 603 S 8.16 4.53 0.00 4.06 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 0.00 604 N 8.28 5.42 0.00 2.91 2.97 0.00 0.00 6.36 7.54 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 0.00 605 I 7.43 5.76 1.65 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 0.89 0.00 0.00 606 K 8.21 4.90 0.00 1.41 1.64 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 0.96 7.81 607 P 0.00 4.70 0.00 2.18 2.08 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.