NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6646 8.4549 118.0476 57.1342 40.0723 172.3539 2 Y 4.6220 8.5044 116.9558 56.2688 42.4870 172.3367 3 C 5.3984 9.5071 120.9996 56.1991 43.3030 173.1000 4 R 5.2688 9.5772 122.0479 54.6324 34.5374 174.1883 5 I 4.9669 8.6303 121.7114 59.1976 39.9417 173.7135 6 P 4.5903 0.0000 0.0000 62.7371 32.1501 174.5256 7 A 4.5454 7.3204 120.0109 51.3541 21.8452 176.4453 8 C 4.5483 8.5029 117.3789 56.8044 37.7507 173.7670 9 I 4.1826 8.3766 115.3759 58.9556 38.9086 175.0477 10 A 4.1347 8.1968 123.5825 54.0065 18.4201 177.7108 11 G 4.0220 9.0725 110.4496 44.9129 0.0000 173.3642 12 E 4.8058 7.5314 118.0316 55.0768 31.5017 175.6122 13 R 4.5222 8.7223 122.1243 54.3788 33.2020 174.5672 14 R 4.6046 8.3168 126.2434 56.3465 30.7136 175.2660 15 Y 4.7310 9.0785 122.0575 58.3377 39.8681 175.5484 *17 T 4.5179 7.8074 115.4369 63.7619 70.0673 173.8994 18 C 4.8197 9.2523 122.9620 55.8292 42.6435 172.9733 19 I 5.0209 8.4080 123.8028 60.0897 38.3168 174.8284 20 Y 4.6196 9.1043 128.8770 57.1665 41.6027 175.0607 21 Q 2.9784 9.4193 127.6606 57.0528 26.3017 174.7750 22 G 3.9502 8.3846 102.2243 45.7391 0.0000 173.4505 23 R 4.7041 8.0667 118.0420 54.0509 33.4720 174.0877 24 L 5.4947 8.1051 118.9963 53.2600 43.5723 176.1409 25 W 5.2481 9.2389 121.5486 54.5863 34.0320 174.3627 26 A 4.5421 9.0412 124.6782 52.0107 19.3947 176.4461 27 F 5.1666 9.0449 125.0678 57.4739 40.9156 174.9113 28 C 5.4247 8.9113 124.4510 55.2572 43.1188 173.7985 29 C 4.5647 9.1983 120.1245 57.1378 42.0138 173.9588 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 1 C 8.45 4.66 0.00 2.72 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 2 Y 8.50 4.62 0.00 2.80 2.76 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 3 C 9.51 5.40 0.00 2.32 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 4 R 9.58 5.27 0.00 1.87 1.87 0.00 3.20 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 5 I 8.63 4.97 1.68 0.00 0.00 -0.51 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 0.36 0.77 0.00 0.00 6 P 0.00 4.59 0.00 2.15 2.12 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 7 A 7.32 4.55 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 8 C 8.50 4.55 0.00 2.96 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.38 4.18 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 0.85 0.00 0.00 10 A 8.20 4.13 1.25 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 0.00 0.00 0.00 11 G 9.07 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 12 E 7.53 4.81 0.00 2.01 1.88 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 2.31 2.24 0.00 13 R 8.72 4.52 0.00 1.79 1.62 0.00 2.95 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.81 0.00 14 R 8.32 4.60 0.00 1.82 1.73 0.00 3.26 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 15 Y 9.08 4.73 0.00 3.10 3.06 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 *17 T 7.81 4.52 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 18 C 9.25 4.82 0.00 3.06 3.01 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 19 I 8.41 5.02 1.94 0.00 0.00 0.90 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 0.64 0.98 0.00 0.00 20 Y 9.10 4.62 0.00 2.84 2.52 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 21 Q 9.42 2.98 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 22 G 8.38 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 4.70 0.00 1.99 1.41 0.00 3.16 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 24 L 8.11 5.49 0.00 1.50 1.62 0.94 0.96 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 25 W 9.24 5.25 0.00 3.32 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 9.04 4.54 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 5.17 0.00 3.19 3.26 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 28 C 8.91 5.42 0.00 2.97 3.06 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 29 C 9.20 4.56 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.