NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6713 8.2827 119.2046 53.4065 40.2385 173.9182 4 K 3.9442 8.4231 116.5116 58.2709 30.7454 177.7724 5 R 3.9337 8.8615 120.1652 59.4482 29.8005 177.2272 6 N 4.7401 7.8092 115.0164 55.5606 38.3047 177.6486 7 V 3.6554 7.5859 119.3391 65.8696 31.7186 177.8052 8 E 4.0420 8.6562 119.0154 59.0394 28.7556 178.9528 9 L 4.0071 7.3771 120.5694 57.8552 41.9658 178.5800 10 L 4.1835 7.7560 117.2290 56.4459 41.4875 178.6805 11 A 4.0086 7.3492 119.5618 54.6665 18.9524 178.9590 12 T 4.0611 7.9151 111.4316 64.7132 67.4424 176.8078 13 L 4.0624 7.6498 120.5159 57.4828 41.6253 179.1463 14 K 4.2301 7.7063 117.3766 58.3856 31.4888 178.9058 15 E 3.9839 7.8910 120.0634 59.2170 29.3331 178.3583 16 N 4.4424 7.6724 114.3763 55.7603 38.7298 177.1603 17 L 4.2087 7.7733 120.0421 57.6119 42.0848 178.9215 18 E 3.9843 8.1497 118.5191 59.5353 29.1826 179.6884 19 R 3.9757 7.5666 115.9702 58.9744 30.1212 178.5813 20 A 4.1906 7.7306 119.9291 51.9947 18.7719 178.1542 21 Q 4.4625 8.1392 111.5524 55.8314 29.7928 178.9939 22 G 3.8304 9.3693 117.5926 47.0173 0.0000 174.6337 *56 N 4.7780 9.3251 123.7546 53.4210 40.9101 176.6561 57 T 3.9406 7.7777 114.5262 66.3569 68.2738 176.5098 58 L 3.9998 7.8655 121.6006 57.8028 41.9016 178.8645 59 I 3.8157 7.4848 118.9943 64.0968 37.2827 177.6758 60 R 4.0605 7.8078 119.8373 59.2297 29.5984 178.5647 61 L 4.0043 7.7704 118.7165 57.4504 41.1334 178.8142 62 A 3.9574 7.7979 119.4122 53.7864 18.4829 179.2051 63 L 4.0031 7.5036 119.4495 57.8983 42.0024 178.9761 64 K 4.0602 7.9238 117.1774 58.9286 32.2210 178.2142 65 E 4.1541 7.6622 117.8447 57.6103 29.7288 177.1660 66 L 4.7098 7.1266 117.9584 56.3406 43.0004 176.0753 67 G 3.7593 8.0654 111.8762 46.1998 0.0000 172.9314 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 3 N 8.28 4.67 0.00 2.77 2.80 0.00 0.00 6.72 5.87 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 4 K 8.42 3.94 0.00 1.94 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.55 7.81 5 R 8.86 3.93 0.00 1.91 1.92 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 6 N 7.81 4.74 0.00 2.92 2.83 0.00 0.00 6.57 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 7 V 7.59 3.66 2.19 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 1.07 0.00 0.00 0.96 0.00 0.00 8 E 8.66 4.04 0.00 2.02 1.98 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 0.00 2.33 2.52 0.00 9 L 7.38 4.01 0.00 1.84 1.85 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.76 4.18 0.00 1.88 1.69 0.92 0.78 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 11 A 7.35 4.01 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 12 T 7.92 4.06 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 1.29 0.00 0.00 13 L 7.65 4.06 0.00 1.75 1.70 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.71 4.23 0.00 2.01 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.58 7.81 15 E 7.89 3.98 0.00 2.03 2.20 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 2.30 2.34 0.00 16 N 7.67 4.44 0.00 2.90 2.86 0.00 0.00 7.08 7.73 0.00 0.00 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 L 7.77 4.21 0.00 1.69 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.15 3.98 0.00 2.09 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 2.42 2.49 0.00 19 R 7.57 3.98 0.00 1.81 2.00 0.00 3.16 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 20 A 7.73 4.19 1.33 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 0.00 0.00 21 Q 8.14 4.46 0.00 2.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 22 G 9.37 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 N 9.33 4.78 0.00 2.79 2.92 0.00 0.00 6.84 7.05 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 57 T 7.78 3.94 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 58 L 7.87 4.00 0.00 1.71 1.66 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.48 3.82 2.04 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 1.52 0.65 0.91 0.00 0.00 60 R 7.81 4.06 0.00 1.84 1.91 0.00 3.09 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 61 L 7.77 4.00 0.00 1.71 1.70 0.92 0.78 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 62 A 7.80 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.50 4.00 0.00 1.95 1.86 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.92 4.06 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.68 7.81 65 E 7.66 4.15 0.00 2.00 1.96 0.00 0.00 0.00 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 2.45 0.00 66 L 7.13 4.71 0.00 1.83 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.07 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.