NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2974 8.2544 119.7064 56.1969 31.6496 174.1634 2 D 4.5778 8.1775 120.8244 52.1042 44.7212 174.6261 3 C 4.6647 9.0225 118.3946 59.0587 41.0374 174.1240 4 C 4.7562 7.7220 107.7850 55.0608 39.6037 174.5076 5 T 4.1080 7.8052 116.7086 64.3908 67.8840 173.9938 *8 K 4.0679 7.5983 119.8588 56.8093 33.6697 175.7493 9 K 4.5850 8.3750 120.0145 55.6527 32.4119 176.1790 10 C 4.9938 8.1179 113.5786 56.7215 40.5634 174.8253 11 K 4.5612 7.7733 120.1208 56.7198 31.7854 175.9853 12 D 4.9600 8.1601 115.9107 51.6245 44.7537 177.1527 13 R 3.9421 8.6135 118.2841 59.1049 29.7223 176.8563 14 Q 4.4895 7.8944 117.8432 56.0015 28.9409 176.9609 15 C 4.7951 8.1072 110.4775 57.1094 38.9897 174.7739 16 K 4.2829 7.8798 119.9341 55.7239 31.6173 174.3854 *18 Q 4.1981 7.5648 117.0688 56.1155 30.1798 175.3386 19 R 4.2754 8.3859 117.0738 57.6148 30.4957 175.7686 20 C 4.5226 8.0744 110.4108 56.4135 41.9965 173.8776 21 C 4.5067 7.3903 115.7534 58.0591 42.0475 173.4170 22 A 4.1641 7.9932 128.5798 52.8110 17.8614 177.2734 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 R 8.25 4.30 0.00 1.82 1.95 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 2 D 8.18 4.58 0.00 2.77 2.45 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 0.00 3 C 9.02 4.66 0.00 3.02 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.76 0.00 3.07 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 5 T 7.81 4.11 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 1.21 0.00 0.00 *8 K 7.60 4.07 0.00 1.77 1.79 0.00 1.80 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.40 7.81 9 K 8.38 4.59 0.00 1.75 1.65 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 10 C 8.12 4.99 0.00 3.03 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 11 K 7.77 4.56 0.00 1.71 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 12 D 8.16 4.96 0.00 2.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 3.94 0.00 1.91 2.06 0.00 3.02 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 14 Q 7.89 4.49 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.39 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 15 C 8.11 4.80 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 16 K 7.88 4.28 0.00 1.94 1.69 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.65 7.81 *18 Q 7.56 4.20 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 19 R 8.39 4.28 0.00 1.76 1.94 0.00 3.22 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 20 C 8.07 4.52 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.39 4.51 0.00 3.17 3.04 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 22 A 7.99 4.16 1.32 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.