NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4879 8.4549 118.0379 57.1258 39.6389 172.1740 2 Y 4.8322 8.8849 116.8467 56.4612 42.7023 172.1421 3 C 5.7176 9.0932 118.7673 55.4946 42.9460 173.2026 4 R 5.2418 9.6284 123.4843 54.8161 33.7666 173.5035 5 I 4.8477 8.5988 125.1640 59.0661 39.2665 173.9322 6 P 4.3469 0.0000 0.0000 63.9817 32.0474 174.9528 7 A 4.4438 7.2876 119.6215 51.4189 21.7141 175.9914 8 C 4.6043 8.4941 117.1184 56.9095 41.8466 174.1000 9 I 4.1146 8.4031 121.9756 60.1006 37.6136 175.6398 10 A 4.0874 8.3589 124.3414 54.4076 18.2886 178.5609 11 G 3.9690 9.0022 110.1135 45.3264 0.0000 173.1332 12 E 4.8011 7.8057 118.4441 54.8899 31.7743 175.2343 13 R 4.7120 8.4167 118.8378 54.3976 33.9713 174.8016 14 R 4.8382 8.3080 121.9874 55.9296 30.6349 175.4400 15 Y 4.6207 9.2276 122.9452 58.3844 40.3312 175.5429 *17 T 4.6253 7.7827 108.1235 61.8950 70.3675 173.5889 18 C 5.2147 9.2866 118.1190 55.2059 44.6904 173.3226 19 I 5.3581 8.1676 121.3127 59.9569 39.5712 174.7274 20 Y 4.7908 9.5567 126.0140 58.0303 42.0219 174.3000 21 Q 3.2167 9.3436 124.4540 56.8990 26.2169 174.3976 22 G 3.9543 8.5410 103.3953 45.8829 0.0000 174.0879 23 R 4.6260 7.9940 118.1847 53.8908 32.9138 174.2203 24 L 5.3389 8.2326 122.1001 53.5014 43.4857 175.5212 25 W 5.0042 9.5365 125.7776 54.5335 33.0865 174.7796 26 A 4.5916 9.1298 124.5279 51.9991 19.5502 176.2660 27 F 5.3930 8.9930 124.1283 57.0899 41.4466 175.1417 28 C 5.5409 9.0498 123.4405 55.4298 43.6203 173.6662 29 C 4.4702 9.0472 119.1085 57.2618 42.1971 173.9388 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 4.49 0.00 2.80 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 2 Y 8.88 4.83 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.09 5.72 0.00 2.59 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 4 R 9.63 5.24 0.00 1.94 1.93 0.00 3.00 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 5 I 8.60 4.85 1.42 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.20 0.68 0.00 0.00 6 P 0.00 4.35 0.00 2.15 2.12 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 7 A 7.29 4.44 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 8 C 8.49 4.60 0.00 2.99 3.20 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 9 I 8.40 4.11 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.87 0.00 0.00 10 A 8.36 4.09 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 9.00 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 12 E 7.81 4.80 0.00 2.18 1.93 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 2.36 2.30 0.00 13 R 8.42 4.71 0.00 1.71 1.33 0.00 3.11 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 14 R 8.31 4.84 0.00 1.81 1.77 0.00 3.26 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 15 Y 9.23 4.62 0.00 2.83 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 *17 T 7.78 4.63 4.45 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 0.00 0.00 0.00 1.33 0.00 0.00 18 C 9.29 5.21 0.00 2.86 2.89 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 19 I 8.17 5.36 1.95 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 1.35 0.71 1.02 0.00 0.00 20 Y 9.56 4.79 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 9.34 3.22 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 22 G 8.54 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 7.99 4.63 0.00 1.95 1.48 0.00 2.83 0.00 0.00 2.97 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 24 L 8.23 5.34 0.00 1.66 1.56 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 W 9.54 5.00 0.00 3.31 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 4.59 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 5.39 0.00 3.21 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 28 C 9.05 5.54 0.00 2.94 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 29 C 9.05 4.47 0.00 2.52 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.