NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.7455 8.3501 109.7342 44.7915 0.0000 172.7774 9 A 4.2963 8.6564 123.1541 49.5362 17.4749 171.9709 *18 V 3.8513 8.0246 119.8564 61.9461 33.5995 173.5662 19 K 4.4480 8.2515 122.7463 54.1028 33.8538 174.7721 *35 H 4.7991 8.5834 121.6131 55.9681 32.7321 174.2878 *40 R 3.9857 8.5313 128.0052 56.3885 31.3588 172.2665 41 P 4.5170 0.0000 0.0000 62.8814 31.5741 175.6194 *79 A 4.0634 7.7281 120.6629 52.1565 21.0649 177.5746 *81 M 4.1835 8.8143 119.6773 55.5040 32.5388 176.8624 *93 V 4.0970 8.6484 110.6328 63.1482 33.5774 173.7558 94 Y 4.8293 8.3134 120.5497 56.6560 41.8372 174.1929 95 Y 5.0460 8.9540 119.3960 56.2380 42.4230 174.5255 96 C 5.1914 9.1083 114.6585 55.4969 31.9387 173.0268 97 A 4.9556 8.7270 125.6616 49.5966 20.9497 175.8139 98 R 4.3363 8.7185 119.1511 56.4883 31.2446 175.4626 99 M 4.6034 8.2355 118.9613 54.1208 35.3627 174.0899 *107 F 5.4282 7.8286 122.2338 57.6202 41.0303 175.3847 *111 G 3.9929 8.0895 106.8935 46.6638 0.0000 172.5220 *114 T 4.1802 8.3083 118.6021 63.8066 70.7069 174.1932 115 T 4.4036 7.9853 120.4835 62.5768 71.2911 174.1374 *118 V 3.6612 8.2710 123.3077 63.7137 31.1946 175.8653 *119 S 4.2830 8.4136 121.8607 58.1284 62.8314 171.6800 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 8 G 8.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.30 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 V 8.02 3.85 2.06 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 0.68 0.00 0.00 0.89 0.00 0.00 19 K 8.25 4.45 0.00 1.73 1.67 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.57 7.81 *35 H 8.58 4.80 0.00 3.40 2.92 0.00 5.90 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 8.53 3.99 0.00 1.66 1.90 0.00 3.16 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 41 P 0.00 4.52 0.00 2.02 2.04 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 *79 A 7.73 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 M 8.81 4.18 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 *93 V 8.65 4.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.89 0.00 0.00 94 Y 8.31 4.83 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.95 5.05 0.00 2.73 2.83 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 96 C 9.11 5.19 0.00 2.99 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 97 A 8.73 4.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.72 4.34 0.00 1.96 2.14 0.00 2.98 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 99 M 8.24 4.60 0.00 1.86 1.51 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.39 0.00 *107 F 7.83 5.43 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *111 G 8.09 3.99 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 0.00 0.00 0.00 *114 T 8.31 4.18 4.21 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 1.21 0.00 0.00 115 T 7.99 4.40 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 *118 V 8.27 3.66 2.10 0.00 0.00 0.00 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 0.95 0.00 0.00 *119 S 8.41 4.28 0.00 3.64 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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.