NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.4888 8.1627 118.7815 54.0823 34.1802 177.9324 9 S 4.5295 8.5671 110.0050 58.0287 62.8354 172.5328 10 Y 4.4446 9.3573 117.7168 59.5995 40.3373 176.9909 11 A 3.9598 7.9483 120.5486 54.6208 18.6532 177.7615 12 A 4.6038 7.5372 115.5866 52.4418 21.1862 178.0649 13 Y 4.6800 7.5717 117.4061 61.5320 39.0770 177.7900 14 L 4.5292 7.7069 116.5752 54.7525 41.5967 176.4890 15 N 4.9292 9.8551 115.1690 53.0988 39.5883 174.9695 16 V 4.1548 7.5080 116.4504 63.1902 33.3692 177.3971 17 A 3.6619 8.0570 121.4752 53.5543 18.2296 177.4756 18 A 4.6541 7.9232 116.4024 51.8505 19.9347 176.3545 19 Q 4.4350 7.6676 113.7358 55.1456 31.1106 175.6822 20 A 4.1473 9.2764 124.2230 56.0911 18.9510 179.5675 21 I 4.0550 7.8178 112.6724 61.1390 35.6479 179.4596 22 R 4.4017 7.5832 121.8029 60.2946 31.4385 183.0749 23 S 4.3082 8.2647 117.0668 59.1136 60.9389 176.8182 *24 S 4.4222 9.0817 113.9999 59.2302 64.2767 175.8591 *27 T 4.3757 7.9083 117.3335 63.9485 71.5749 174.2036 28 E 4.3053 8.3660 120.8210 56.2798 30.1593 178.9367 29 L 4.0043 9.3892 134.7343 58.3707 42.3820 178.9630 30 Q 4.0473 7.7877 112.9113 57.0478 27.9087 176.3254 31 T 3.7722 7.9012 115.8581 64.3338 68.2538 174.4437 32 A 3.5410 8.2061 129.8754 51.9442 17.9587 181.1316 33 S 3.2852 6.5596 106.0653 57.6315 65.8731 176.2412 34 V 3.7806 7.7740 120.7415 66.7787 31.8433 179.0612 35 T 3.9244 7.9678 112.8035 66.1342 68.2587 177.1216 36 N 4.7860 8.1222 117.3475 55.5823 38.7397 177.4604 37 R 3.9188 7.7132 119.0729 59.0342 30.1230 178.0316 38 S 4.6694 7.9058 115.8055 59.4207 63.2418 174.5228 39 Q 4.3803 7.5313 122.7749 54.3098 27.9743 179.6073 40 T 4.7371 8.3007 116.0855 58.3062 71.0608 170.8665 41 D 4.9435 8.5611 125.6593 53.1929 41.8603 176.4443 42 A 4.5534 7.6903 120.3733 51.9299 20.1410 177.3624 43 F 5.2256 8.7034 117.3935 55.9074 42.8891 173.9064 44 Y 5.0467 8.2620 120.4367 56.0611 41.1167 174.9123 45 T 4.8536 8.3319 116.2842 62.5894 73.0360 173.3197 46 Q 4.3760 8.9570 127.6298 55.8905 30.0614 174.3638 47 Y 4.5093 8.6644 122.7594 56.7291 41.0198 175.8891 48 K 4.8274 8.9528 129.3159 53.2349 35.5218 171.4712 49 N 4.1178 8.6935 110.9789 54.1772 37.5219 169.9288 *53 A 4.3256 7.2390 124.7618 52.8520 21.5365 178.5203 54 S 4.4020 8.0593 111.7547 57.9359 64.4509 176.8386 55 E 4.0419 8.2303 124.3676 56.4891 28.8615 175.9167 56 P 4.7951 0.0000 0.0000 63.7580 33.9820 172.2309 57 T 4.0573 7.1473 111.3547 60.3741 71.5945 172.9822 58 P 4.9166 0.0000 0.0000 62.8440 32.8182 176.3242 59 M 4.6606 7.8549 119.8284 54.8573 36.1507 175.7560 60 T 3.3462 8.5561 117.9686 61.1543 69.5565 175.6699 61 K 4.3078 7.9679 125.6955 54.8579 31.6748 175.5953 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 8 M 8.16 4.49 0.00 1.96 1.89 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 2.50 2.11 0.00 9 S 8.57 4.53 0.00 3.93 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 9.36 4.44 0.00 3.16 2.99 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 11 A 7.95 3.96 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 12 A 7.54 4.60 1.29 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 0.00 0.00 0.00 13 Y 7.57 4.68 0.00 2.88 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 14 L 7.71 4.53 0.00 1.61 1.64 0.67 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 15 N 9.86 4.93 0.00 2.61 2.87 0.00 0.00 6.87 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.51 4.15 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 0.69 0.00 0.00 0.85 0.00 0.00 17 A 8.06 3.66 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 18 A 7.92 4.65 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.67 4.44 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 20 A 9.28 4.15 1.27 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 0.00 0.00 21 I 7.82 4.05 1.87 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 1.27 0.73 0.91 0.00 0.00 22 R 7.58 4.40 0.00 1.96 1.85 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 23 S 8.26 4.31 0.00 3.62 3.22 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 *24 S 9.08 4.42 0.00 3.59 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 *27 T 7.91 4.38 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 28 E 8.37 4.31 0.00 1.96 1.47 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 2.29 2.23 0.00 29 L 9.39 4.00 0.00 1.70 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.79 4.05 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 31 T 7.90 3.77 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 32 A 8.21 3.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.56 3.29 0.00 3.93 3.83 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 0.00 0.00 0.00 34 V 7.77 3.78 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 1.02 0.00 0.00 0.93 0.00 0.00 35 T 7.97 3.92 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 36 N 8.12 4.79 0.00 2.90 2.88 0.00 0.00 6.56 7.50 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 37 R 7.71 3.92 0.00 2.04 2.04 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 38 S 7.91 4.67 0.00 4.06 3.88 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 39 Q 7.53 4.38 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 40 T 8.30 4.74 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 41 D 8.56 4.94 0.00 2.69 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.55 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.70 5.23 0.00 2.83 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 44 Y 8.26 5.05 0.00 3.05 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 45 T 8.33 4.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 46 Q 8.96 4.38 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 47 Y 8.66 4.51 0.00 2.96 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 48 K 8.95 4.83 0.00 1.68 1.59 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.27 1.21 7.81 49 N 8.69 4.12 0.00 2.73 2.74 0.00 0.00 6.46 7.46 0.00 0.00 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 A 7.24 4.33 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 54 S 8.06 4.40 0.00 3.67 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.04 0.00 1.98 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 0.00 2.20 1.86 0.00 56 P 0.00 4.80 0.00 2.01 1.87 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 57 T 7.15 4.06 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 58 P 0.00 4.92 0.00 1.84 1.84 0.00 3.65 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.42 0.00 59 M 7.85 4.66 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 60 T 8.56 3.35 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 61 K 7.97 4.31 0.00 1.78 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.29 7.81 * Residues marked with a * may have inaccurate shift predictions.