NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6520 8.3649 119.5546 52.6944 41.8839 175.8804 2 F 4.2512 8.3150 119.9184 56.5340 39.7902 172.0238 3 E 4.2797 8.5431 124.4354 55.9757 31.0399 175.8998 4 E 4.3370 8.5394 119.8604 55.5946 30.7769 176.5373 5 I 4.2713 8.0390 116.1027 58.7244 39.5889 173.6401 6 P 4.3475 0.0000 0.0000 62.9232 31.7904 177.5809 7 E 4.1576 8.9819 122.6759 59.0093 29.8191 179.3969 8 E 3.9421 7.9845 115.3072 58.7373 29.8663 182.9971 9 Y 4.4598 7.5013 113.6576 59.8616 38.2993 176.2276 10 L 4.2986 7.7004 120.2446 55.7625 42.1595 177.3089 *11 Q 4.1415 7.9127 122.8047 55.2074 28.7519 179.7871 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 D 8.36 4.65 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.25 0.00 3.19 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 3 E 8.54 4.28 0.00 2.02 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 0.00 2.33 2.32 0.00 4 E 8.54 4.34 0.00 2.11 1.99 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 2.28 2.32 0.00 5 I 8.04 4.27 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.87 0.00 0.00 6 P 0.00 4.35 0.00 2.27 2.09 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.25 0.00 7 E 8.98 4.16 0.00 2.12 2.22 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 2.34 2.24 0.00 8 E 7.98 3.94 0.00 2.01 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 0.00 2.23 1.91 0.00 9 Y 7.50 4.46 0.00 3.12 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 10 L 7.70 4.30 0.00 1.70 1.71 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *11 Q 7.91 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.