NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9245 8.2127 109.7392 45.2373 0.0000 173.2464 2 I 3.3273 8.2377 118.0005 63.4816 36.7423 172.8181 3 V 3.4985 8.4491 119.8100 66.1419 31.7902 177.0798 4 E 3.9999 8.0533 117.4280 59.6660 29.2444 178.9713 5 Q 4.0494 8.0754 116.9172 59.1716 28.9242 178.0377 6 C 4.6202 8.6624 115.4327 57.7564 41.1585 174.3147 7 C 4.2719 9.1958 119.4645 60.9550 32.2495 174.7757 8 A 4.2031 7.9807 121.0050 55.3546 19.2332 178.7429 9 S 4.7967 7.9504 113.9483 57.4318 64.2578 174.7897 10 V 4.6201 8.5801 109.3387 60.6702 35.6502 169.5799 11 C 4.9839 8.6768 117.0390 54.9080 44.5305 172.9787 12 S 4.7155 8.3134 114.7027 56.2282 65.3215 174.0089 13 L 4.0617 8.5186 121.5452 58.7490 41.6213 179.7561 *14 Y 4.0874 8.1908 120.1727 62.6182 36.4956 181.5586 15 Q 4.2887 7.8426 118.4415 57.9765 28.7759 178.6968 16 L 4.2492 8.0419 120.4513 57.3035 41.6834 178.6301 17 E 4.1250 7.9610 118.8869 59.6607 29.1559 178.8319 18 N 4.3322 7.6223 114.7656 54.9819 38.4719 175.1487 19 Y 4.6316 7.5860 117.0663 57.6497 38.4303 175.1408 20 C 4.4230 7.8368 119.3100 58.9771 28.8730 173.5869 21 N 4.5399 8.7829 120.9429 53.6606 38.0935 174.8673 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 8.21 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.24 3.33 0.94 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.68 0.00 0.00 3 V 8.45 3.50 2.04 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.05 4.00 0.00 2.22 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 2.40 2.46 0.00 5 Q 8.08 4.05 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 6 C 8.66 4.62 0.00 2.97 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 9.20 4.27 0.00 2.91 3.03 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 0.00 0.00 0.00 0.00 8 A 7.98 4.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.80 0.00 3.85 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 11 C 8.68 4.98 0.00 2.97 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 12 S 8.31 4.72 0.00 3.99 3.92 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 0.00 0.00 0.00 13 L 8.52 4.06 0.00 1.70 1.77 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *14 Y 8.19 4.09 0.00 2.31 2.33 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 15 Q 7.84 4.29 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 L 8.04 4.25 0.00 1.77 1.87 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.96 4.13 0.00 2.08 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 2.33 2.37 0.00 18 N 7.62 4.33 0.00 1.95 2.52 0.00 0.00 6.91 7.83 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 19 Y 7.59 4.63 0.00 2.98 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 7.84 4.42 0.00 2.98 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 21 N 8.78 4.54 0.00 2.73 2.75 0.00 0.00 6.96 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.