NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1605 8.2649 123.5725 52.0380 19.9164 176.7132 2 C 4.8281 8.0111 117.8721 54.8519 42.6614 171.5562 3 Y 4.9329 9.3021 119.7058 56.6014 42.8593 173.1492 4 C 5.4980 8.9514 119.2926 56.1170 39.2861 173.4302 5 R 5.2436 9.5330 121.8664 54.6147 34.4984 174.1802 6 I 4.9339 8.5705 121.9402 59.1796 39.7292 173.7499 7 P 4.4991 0.0000 0.0000 62.9405 32.1970 174.6028 8 A 4.4952 7.2768 119.8416 51.4515 21.7646 176.3492 9 C 4.6135 8.4547 117.0659 56.6602 38.9265 174.1649 10 I 4.0217 8.7126 122.7291 60.5213 37.3862 175.9630 11 A 4.1304 8.4337 126.8126 54.0151 18.4949 177.3512 12 G 4.0570 9.0106 110.7721 45.5724 0.0000 173.8934 13 E 4.4124 8.0708 118.6588 55.5745 30.8792 175.4998 14 R 4.4519 8.4295 119.7609 54.3344 32.5141 175.5003 15 R 4.6183 8.4991 124.9140 56.3558 30.2998 175.3085 16 Y 5.0493 8.8704 123.5527 57.7622 39.8057 176.9769 17 G 4.2109 7.5751 107.2721 46.2397 0.0000 171.6423 18 T 5.1104 8.5439 118.0133 62.4335 72.1213 175.2668 19 C 4.8017 9.3392 127.5601 56.7235 44.4340 172.0150 *21 Y 4.7785 8.3056 119.0687 57.3691 39.7409 174.5984 22 Q 3.5448 9.9142 117.2659 57.3202 27.5442 173.9934 23 G 4.0223 8.5450 99.8239 46.0206 0.0000 173.8259 24 R 4.5804 7.8677 116.4286 53.9841 34.1036 174.5582 25 L 4.8401 8.0731 119.5902 53.5826 43.1799 176.3287 26 W 5.1002 9.0356 121.7300 54.4955 33.4880 174.5980 27 A 4.5376 9.3464 125.5897 52.0658 19.3596 176.3409 28 F 5.0917 9.3756 125.4767 57.2287 41.0198 173.8237 29 C 5.2115 8.8699 124.6769 55.2361 40.4954 173.8152 30 C 4.4148 8.8130 120.9313 56.9544 41.8793 174.0553 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 A 8.26 4.16 1.11 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 0.00 0.00 2 C 8.01 4.83 0.00 2.64 1.85 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.30 4.93 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 5.50 0.00 2.78 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 R 9.53 5.24 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 6 I 8.57 4.93 1.55 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 1.09 0.15 0.67 0.00 0.00 7 P 0.00 4.50 0.00 2.14 2.10 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 A 7.28 4.50 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.45 4.61 0.00 2.96 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 10 I 8.71 4.02 1.94 0.00 0.00 0.80 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 0.58 0.89 0.00 0.00 11 A 8.43 4.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.01 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.07 4.41 0.00 1.97 1.88 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 2.28 2.31 0.00 14 R 8.43 4.45 0.00 0.96 1.15 0.00 2.97 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 15 R 8.50 4.62 0.00 1.83 1.87 0.00 3.25 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 16 Y 8.87 5.05 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 17 G 7.58 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 0.00 0.00 0.00 0.00 18 T 8.54 5.11 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 19 C 9.34 4.80 0.00 3.11 3.15 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 *21 Y 8.31 4.78 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.91 3.54 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 23 G 8.54 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.87 4.58 0.00 1.50 1.17 0.00 2.91 0.00 0.00 2.65 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 25 L 8.07 4.84 0.00 1.58 1.62 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.04 5.10 0.00 3.29 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 27 A 9.35 4.54 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 28 F 9.38 5.09 0.00 3.18 3.24 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 0.00 29 C 8.87 5.21 0.00 2.99 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 30 C 8.81 4.41 0.00 2.28 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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.