NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0533 8.1600 109.1380 45.1221 0.0000 174.3153 2 I 3.3016 8.0181 117.9660 62.0053 37.5850 172.7311 3 V 3.5699 8.3799 121.0241 64.8279 31.6634 177.6483 4 E 3.9361 8.0719 118.9973 59.1070 29.4192 178.9648 5 Q 4.1194 8.3735 119.5236 58.3995 29.0285 176.3218 6 C 4.9094 8.5008 116.0389 56.2168 41.2495 173.9754 7 C 4.3001 7.9976 117.5034 59.9295 28.7714 174.4949 8 T 4.3537 7.8344 108.9135 62.3909 69.4996 174.7850 9 S 4.6718 7.3594 112.6757 56.1749 66.2034 173.0545 10 I 4.0535 8.2247 122.7739 61.3514 37.3841 176.3502 11 C 4.8947 8.5886 123.4352 55.7620 42.1342 174.4824 12 S 4.5435 8.8834 119.7238 57.7126 65.1848 175.4923 13 L 4.1231 8.5506 124.2572 58.5540 41.0171 180.1042 *14 Y 4.0099 7.7737 119.7472 62.1783 37.2405 181.6672 15 Q 4.3599 7.9362 120.0261 58.7851 28.7542 178.9545 16 L 4.3140 8.1932 120.0008 57.6336 41.7103 178.9671 17 E 3.9790 8.2038 118.8715 59.0575 29.2187 178.4808 18 N 4.3440 7.8226 115.0253 55.5685 38.5511 175.6915 19 Y 4.4591 7.7510 116.2549 57.2542 38.6340 175.4923 20 C 4.4628 7.2988 118.4706 59.3742 29.1574 173.4569 21 N 4.5502 8.5727 118.5252 53.0624 37.1888 174.8343 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 8.16 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.30 1.06 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.13 0.70 0.00 0.00 3 V 8.38 3.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 4 E 8.07 3.94 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 5 Q 8.37 4.12 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 6 C 8.50 4.91 0.00 2.95 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 7 C 8.00 4.30 0.00 3.12 2.95 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 8 T 7.83 4.35 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 1.26 0.00 0.00 9 S 7.36 4.67 0.00 4.04 3.94 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 10 I 8.22 4.05 1.88 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 1.41 0.54 0.92 0.00 0.00 11 C 8.59 4.89 0.00 2.98 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 12 S 8.88 4.54 0.00 4.07 4.01 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 13 L 8.55 4.12 0.00 1.72 1.78 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *14 Y 7.77 4.01 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.36 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 16 L 8.19 4.31 0.00 1.90 1.80 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.20 3.98 0.00 2.29 1.95 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 2.31 2.37 0.00 18 N 7.82 4.34 0.00 2.42 2.45 0.00 0.00 6.96 7.98 0.00 0.00 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 7.75 4.46 0.00 3.07 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 20 C 7.30 4.46 0.00 3.07 2.87 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 21 N 8.57 4.55 0.00 2.83 2.80 0.00 0.00 5.93 7.56 0.00 0.00 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.