NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1483 8.2649 123.5655 52.0513 19.9089 176.7516 2 C 4.9075 8.0387 118.5116 55.0316 40.1625 171.4239 3 Y 5.0191 9.5527 119.1571 56.8736 43.0185 173.1345 4 C 5.4277 8.9407 119.2078 56.4207 41.9252 173.4474 5 R 5.2497 9.5258 121.3771 54.8431 34.5845 174.1210 6 I 4.9691 8.5455 122.1222 59.0932 40.2245 173.9183 7 P 4.3997 0.0000 0.0000 63.4671 32.0160 175.1158 8 A 4.4621 7.1930 119.6856 51.5301 21.6790 176.4754 9 C 4.5710 8.6157 117.3590 56.8691 40.0978 174.1263 10 I 4.2044 8.4734 115.8368 59.3546 38.5992 175.2271 11 A 4.2005 8.2561 124.1905 54.0186 18.4433 178.2395 12 G 4.0018 9.1659 110.8243 45.0020 0.0000 172.9366 13 E 4.8955 7.7398 118.0407 54.4872 32.4311 175.2278 14 R 4.7054 9.0427 119.8502 54.3563 33.6149 175.0557 15 R 4.6468 8.5027 123.5539 56.3443 30.5309 175.4011 16 Y 4.4000 9.6801 123.2483 57.1968 39.5753 176.7827 17 G 4.1710 7.1733 105.7560 46.4154 0.0000 170.8643 18 T 5.1512 8.2432 116.0071 62.5056 72.3357 175.0525 19 C 4.6501 8.9636 124.6758 55.8544 39.2770 172.0444 *21 Y 4.7810 8.2198 116.9896 57.5799 39.6414 174.6608 22 Q 3.3737 10.0305 114.7424 57.1338 26.4707 175.3340 23 G 4.0205 9.2607 103.4341 45.6539 0.0000 173.6725 24 R 4.6403 7.8797 114.4672 54.2927 32.7479 174.2870 25 L 4.7393 8.0613 117.9642 53.8146 42.9445 176.4332 26 W 5.1515 9.0733 121.4718 54.5596 33.5814 174.5306 27 A 4.5435 9.1151 125.0151 51.9896 19.5101 176.3570 28 F 5.2731 9.2181 125.2356 57.2516 40.9817 173.8639 29 C 5.4902 9.3593 124.2065 55.2897 42.1395 173.8105 30 C 4.4823 9.1632 120.0043 57.0995 41.9810 173.9565 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 A 8.26 4.15 1.15 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 0.00 0.00 0.00 2 C 8.04 4.91 0.00 2.83 2.63 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 0.00 0.00 0.00 0.00 3 Y 9.55 5.02 0.00 2.91 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 C 8.94 5.43 0.00 2.58 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.53 5.25 0.00 1.84 1.88 0.00 3.19 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 6 I 8.55 4.97 1.66 0.00 0.00 -0.70 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 0.29 0.73 0.00 0.00 7 P 0.00 4.40 0.00 2.15 2.12 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 8 A 7.19 4.46 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 9 C 8.62 4.57 0.00 3.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.20 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.93 0.00 0.00 11 A 8.26 4.20 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 12 G 9.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 4.90 0.00 2.19 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 2.29 2.27 0.00 14 R 9.04 4.71 0.00 1.94 1.64 0.00 3.18 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 15 R 8.50 4.65 0.00 1.83 1.80 0.00 3.23 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 16 Y 9.68 4.40 0.00 2.59 3.10 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 17 G 7.17 4.17 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 0.00 0.00 0.00 18 T 8.24 5.15 4.27 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 1.33 0.00 0.00 19 C 8.96 4.65 0.00 2.35 2.16 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 *21 Y 8.22 4.78 0.00 2.98 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 22 Q 10.03 3.37 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.98 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 23 G 9.26 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 24 R 7.88 4.64 0.00 1.66 1.73 0.00 3.45 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.87 0.00 25 L 8.06 4.74 0.00 1.61 1.64 0.92 0.84 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 26 W 9.07 5.15 0.00 3.01 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.12 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 28 F 9.22 5.27 0.00 3.08 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 9.36 5.49 0.00 3.00 3.08 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 30 C 9.16 4.48 0.00 2.55 2.63 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.