NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8730 8.2127 109.7329 45.6596 0.0000 173.7447 2 I 3.8834 7.6425 121.7358 60.1494 38.5665 174.3395 *4 E 4.3360 8.4228 120.1865 56.3095 32.2088 177.9364 5 Q 3.8391 7.3735 116.3274 58.4661 29.3754 176.2691 6 C 4.7029 7.6770 112.8293 58.7839 41.6715 174.6201 7 C 4.1928 7.9931 117.5902 61.9762 31.4739 174.3669 8 T 4.3137 8.3848 114.8461 64.7217 69.2220 174.8996 9 S 4.3322 7.5657 118.1847 57.4570 63.5302 172.5720 10 I 4.6415 8.2826 119.3953 59.7742 39.6961 175.6094 11 C 5.1317 8.7296 118.8539 55.4767 41.1254 173.9399 12 S 4.8044 8.4022 118.8591 56.2008 65.5240 174.4214 13 L 4.1710 8.4198 118.8239 57.2227 41.0045 178.4709 14 Y 4.4284 7.8463 119.3272 60.0103 39.1109 177.1052 15 Q 3.8578 7.6398 119.6519 58.7616 28.9332 178.5872 16 L 4.4254 8.0624 120.5055 58.2505 40.2823 178.5603 17 E 4.0651 7.7129 118.6631 58.4647 29.3827 177.3974 18 N 4.3067 7.6297 114.3660 54.3036 38.6583 175.4217 19 Y 4.6999 7.2721 117.7483 57.4220 39.4496 175.6716 20 C 4.3035 7.2299 114.7999 57.7215 30.3496 173.1806 21 N 4.4683 8.7383 121.9799 53.7089 38.5823 174.3264 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 G 8.21 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.64 3.88 1.20 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.36 0.59 0.00 0.00 *4 E 8.42 4.34 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 5 Q 7.37 3.84 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 6 C 7.68 4.70 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.99 4.19 0.00 2.91 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 8 T 8.38 4.31 4.30 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 1.21 0.00 0.00 9 S 7.57 4.33 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.64 1.90 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 1.43 1.05 0.93 0.00 0.00 11 C 8.73 5.13 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.80 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.17 0.00 1.77 1.82 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.85 4.43 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.64 3.86 0.00 2.50 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 16 L 8.06 4.43 0.00 2.01 2.02 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.71 4.07 0.00 2.28 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 2.23 2.33 0.00 18 N 7.63 4.31 0.00 2.40 2.17 0.00 0.00 6.55 6.68 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 19 Y 7.27 4.70 0.00 3.22 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.23 4.30 0.00 3.13 2.97 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 21 N 8.74 4.47 0.00 2.70 2.74 0.00 0.00 7.05 7.57 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 * Residues marked with a * may have inaccurate shift predictions.