NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3245 8.0433 122.7537 54.8983 43.8920 175.0584 10 L 4.9041 8.4916 125.7374 53.1404 43.2267 174.3009 11 L 5.0124 8.9212 123.2297 52.7903 46.4464 174.7821 12 E 5.0156 8.3827 116.7241 55.2123 33.0177 173.9431 13 C 4.9976 8.9044 121.5485 58.1147 30.1334 172.1569 14 T 4.8081 8.3849 118.5754 59.2545 69.3271 176.1958 15 E 3.8481 8.8720 132.7281 61.3336 28.5293 178.6420 16 C 3.9835 6.7298 109.5149 59.6428 27.2270 171.1793 17 K 4.4460 7.6657 133.5190 56.4502 30.1998 176.3566 18 R 4.6432 7.0350 122.5278 56.0723 28.0163 175.7805 19 R 4.0440 8.0253 108.1922 52.2006 32.1421 177.3449 20 N 3.9742 8.4126 116.2035 54.3367 39.6782 171.8435 21 Y 5.4123 8.1266 114.2440 59.1813 41.5553 173.5613 22 A 4.4471 8.9565 120.8398 51.6657 24.4921 173.5761 23 T 4.0887 8.1916 111.1507 60.7931 70.3298 170.8587 24 E 4.5099 7.9464 125.5707 55.3472 34.1437 173.6542 25 K 5.6335 8.4477 120.9122 55.4790 35.5629 175.9060 26 N 4.8991 8.8820 122.2727 51.3158 40.9870 174.9591 27 K 4.4151 8.3174 118.6309 56.6786 32.7488 181.7040 28 R 3.1300 7.8931 114.6517 57.9224 30.6697 177.4206 29 N 4.3197 7.9533 120.3914 56.2846 39.8577 175.3275 30 T 3.7574 8.3122 115.4189 64.7615 69.3660 174.8362 31 P 3.9855 0.0000 0.0000 62.9538 27.2342 173.7377 32 N 4.7379 7.2603 115.7220 51.5998 42.0629 172.6257 33 K 4.0748 9.5253 128.3345 58.7679 33.2876 174.7616 34 L 3.8990 8.3380 122.1147 53.4054 40.1433 173.4995 35 E 5.5655 7.8368 119.9467 56.1926 32.4575 175.1977 36 L 5.9531 8.6301 126.9715 53.4954 43.6639 175.9612 37 R 4.6333 8.7682 117.1234 54.5904 32.5845 174.5177 38 K 4.1680 8.7111 123.6727 57.7878 32.8520 174.8579 39 Y 4.6613 8.7101 124.1432 56.8096 42.8619 172.5646 40 C 4.4388 8.0583 127.3107 57.8802 32.1749 171.3416 41 P 5.0221 0.0000 0.0000 62.7440 30.2655 175.8939 42 W 5.0742 9.0099 114.4520 55.6219 28.6365 176.3586 43 C 4.4552 7.7748 113.7578 57.2265 29.3718 172.6762 44 R 4.1287 8.0510 126.2819 55.3654 28.5209 175.6575 45 K 4.0722 7.7508 117.4816 57.8310 31.3504 174.6548 46 H 3.9240 8.4531 120.4144 56.5073 25.6845 174.2455 47 T 4.9068 8.4727 122.3325 62.1059 71.4837 174.5222 48 V 4.0356 8.3911 112.5170 63.2611 33.6795 173.9196 49 H 5.6116 8.0646 118.4523 56.6939 29.7311 173.4245 50 R 5.6074 7.9198 118.6285 55.6983 31.2342 176.8104 51 E 5.0241 8.7265 130.2516 56.3385 30.1567 175.8867 52 V 3.6055 8.7628 127.7195 63.6101 31.6746 170.9765 *53 K 4.1330 8.3507 123.1542 54.8532 32.2491 176.7450 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 9 L 8.04 4.32 0.00 1.74 1.79 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.49 4.90 0.00 1.63 1.55 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.92 5.01 0.00 1.54 1.55 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.38 5.02 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 13 C 8.90 5.00 0.00 2.83 2.92 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 14 T 8.38 4.81 4.04 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 1.25 0.00 0.00 15 E 8.87 3.85 0.00 2.02 1.83 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 2.25 2.19 0.00 16 C 6.73 3.98 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.45 0.00 1.80 2.06 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.18 1.08 7.81 18 R 7.04 4.64 0.00 1.95 1.48 0.00 2.93 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 19 R 8.03 4.04 0.00 1.92 2.01 0.00 3.38 0.00 0.00 3.52 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 20 N 8.41 3.97 0.00 3.00 2.82 0.00 0.00 6.77 7.54 0.00 0.00 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 8.13 5.41 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.96 4.45 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.19 4.09 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 1.19 0.00 0.00 24 E 7.95 4.51 0.00 1.81 1.79 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 2.18 2.18 0.00 25 K 8.45 5.63 0.00 1.55 1.65 0.00 1.76 0.00 0.00 2.34 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.28 7.81 26 N 8.88 4.90 0.00 2.57 2.72 0.00 0.00 7.01 7.61 0.00 0.00 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 K 8.32 4.42 0.00 1.70 1.77 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.35 7.81 28 R 7.89 3.13 0.00 1.87 1.86 0.00 3.22 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 29 N 7.95 4.32 0.00 2.71 2.80 0.00 0.00 6.83 7.54 0.00 0.00 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 T 8.31 3.76 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 31 P 0.00 3.99 0.00 2.08 2.12 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 32 N 7.26 4.74 0.00 2.71 2.93 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.53 4.07 0.00 1.89 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.13 7.81 34 L 8.34 3.90 0.00 1.71 2.05 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.84 5.57 0.00 2.10 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 2.12 2.14 0.00 36 L 8.63 5.95 0.00 1.69 1.66 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.77 4.63 0.00 1.86 1.91 0.00 3.06 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 38 K 8.71 4.17 0.00 1.85 1.88 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.73 7.81 39 Y 8.71 4.66 0.00 2.90 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.06 4.44 0.00 2.60 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.02 0.00 2.37 1.88 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 42 W 9.01 5.07 0.00 3.43 2.96 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 0.00 0.00 0.00 43 C 7.77 4.46 0.00 2.79 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.05 4.13 0.00 1.89 2.30 0.00 3.37 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 45 K 7.75 4.07 0.00 1.95 1.98 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.39 7.81 46 H 8.45 3.92 0.00 3.25 3.37 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.47 4.91 4.20 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 0.00 0.00 1.20 0.00 0.00 48 V 8.39 4.04 2.13 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 0.99 0.00 0.00 0.96 0.00 0.00 49 H 8.06 5.61 0.00 3.61 3.42 0.00 6.03 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.92 5.61 0.00 1.80 0.88 0.00 3.52 0.00 0.00 3.31 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 51 E 8.73 5.02 0.00 1.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 52 V 8.76 3.61 2.21 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 0.76 0.00 0.00 0.99 0.00 0.00 *53 K 8.35 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.