NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4761 8.3344 116.8049 58.3135 64.8184 172.9584 8 D 4.8864 7.9694 120.2148 51.4746 43.1877 173.9585 9 F 5.5177 8.8004 117.6231 55.3129 42.0066 173.5166 10 V 4.6717 9.2699 112.5529 59.6205 35.4492 174.7820 11 V 4.8010 8.6858 124.1204 61.3903 33.6651 174.4370 12 I 5.0040 9.0335 128.7706 59.4031 40.5132 174.1436 13 K 5.0483 9.3507 128.9310 54.4260 34.6502 174.7213 14 A 4.6234 8.8168 129.9003 51.8621 19.2819 177.5923 15 L 4.4425 9.2479 122.6765 55.0605 42.7408 175.8406 16 E 4.8089 7.8120 115.4830 54.4908 33.1533 174.7263 17 D 4.5883 8.7420 119.4441 54.9218 41.5427 176.0602 18 G 3.8905 8.3409 106.8645 46.7221 0.0000 174.4226 19 V 3.9897 7.7890 119.0551 62.3015 33.2943 174.1708 20 N 5.2262 9.3712 126.0050 51.9102 41.1082 173.2545 21 V 4.5519 8.7289 127.5193 61.6073 33.1375 173.9849 22 I 4.7340 8.9835 130.3565 59.6507 39.1660 175.1966 23 G 4.3831 9.5846 116.0372 45.0094 0.0000 172.6651 24 L 5.8576 9.2345 123.6436 52.5484 45.5381 176.2077 25 T 4.0099 8.6981 107.6417 65.0616 70.3728 175.5539 *31 R 3.9906 8.2598 118.5320 54.7144 31.0135 177.1509 32 F 4.9788 5.4692 121.6964 56.7842 43.0924 175.9223 33 H 5.7093 8.4030 116.5206 54.2001 30.1368 172.0473 34 H 4.4465 8.9492 125.4896 56.4157 30.5400 173.9299 35 S 4.8645 8.5388 120.7467 57.1929 64.6168 173.2917 36 E 4.4572 8.4149 126.8594 55.5784 32.4185 174.9132 37 K 4.7414 8.6870 131.1417 54.9869 33.1066 172.7748 38 L 4.9526 9.0167 123.7641 52.5864 45.1341 175.6106 39 D 5.1413 10.0129 124.0728 51.9799 43.7023 175.8322 40 K 4.0335 8.7098 122.0322 58.7912 32.1633 177.0558 41 G 4.0036 9.5539 116.3751 45.0902 0.0000 173.1938 42 E 4.3058 8.3626 120.0129 56.1893 30.9300 175.9370 43 V 4.9397 8.2600 121.4053 61.0287 34.5227 174.2227 44 L 4.6997 9.0670 129.7004 53.3123 44.8127 174.9714 45 I 4.8522 8.4914 126.8101 59.8828 38.4631 174.3612 46 A 4.6582 9.0178 130.3384 50.1258 20.9819 175.2020 47 Q 5.0223 8.4788 123.4423 54.2624 31.5168 174.8785 48 F 4.4880 8.7366 124.5951 57.5821 39.6130 175.8413 49 T 4.5638 8.4558 114.7570 59.7950 71.1260 174.3179 50 E 4.1543 8.7566 118.6461 59.8349 29.7955 177.8139 51 H 4.0426 8.4598 115.5531 57.9086 28.8093 174.8581 52 T 4.7742 7.5496 115.4329 61.8147 68.9163 173.9664 53 S 4.5397 8.9293 122.4441 60.4788 63.9487 174.5549 54 A 5.1604 8.0962 120.4100 49.7396 22.9591 174.7117 55 I 4.9719 8.5322 119.2078 59.4126 40.5122 174.8479 56 K 4.6102 9.3321 128.6488 54.5517 34.7343 174.8296 57 V 4.8458 8.5589 128.7789 61.8663 33.8014 175.1353 58 R 4.5482 9.0815 129.1102 55.4461 31.9604 171.4561 59 G 4.0522 8.8686 109.4499 42.0991 0.0000 172.8818 60 K 4.5972 9.0774 121.1996 55.9739 32.6758 175.5310 61 A 5.1520 9.0279 128.6654 50.6409 23.5854 173.5088 62 Y 5.0025 9.1255 121.1614 56.0072 41.1343 174.5947 63 I 4.9486 8.4613 127.2647 59.5517 40.8650 174.2244 64 Q 4.9430 9.1573 126.5247 54.2867 31.2308 174.9419 65 T 4.8561 8.4901 112.8846 59.2721 72.4026 174.6820 66 R 3.6266 8.5220 121.5267 59.6558 29.8445 176.3590 67 H 4.7070 7.6053 112.3846 55.5354 28.9660 174.0288 68 G 3.7071 8.0796 107.0257 44.2679 0.0000 173.4679 69 V 4.5464 7.7742 111.1958 60.6358 33.4468 175.6298 70 I 4.4421 8.2016 120.9604 60.0912 41.8826 172.5508 71 E 5.2631 8.7777 128.1106 54.3892 31.9760 174.9259 72 S 4.6547 9.0526 122.2084 57.1111 65.3156 172.7139 73 E 4.7200 8.7329 125.2983 53.9954 30.5064 175.7781 74 G 4.2092 8.7142 115.0271 45.9832 0.0000 171.7373 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 7 S 8.33 4.48 0.00 3.92 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 8 D 7.97 4.89 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 5.52 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 4.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 11 V 8.69 4.80 2.14 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 0.98 0.00 0.00 1.17 0.00 0.00 12 I 9.03 5.00 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.64 0.92 0.00 0.00 13 K 9.35 5.05 0.00 1.87 1.80 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.82 4.62 1.31 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 0.00 0.00 0.00 15 L 9.25 4.44 0.00 1.58 1.73 0.98 0.81 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 16 E 7.81 4.81 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 17 D 8.74 4.59 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.99 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 1.04 0.00 0.00 1.05 0.00 0.00 20 N 9.37 5.23 0.00 2.79 2.62 0.00 0.00 6.62 7.75 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 21 V 8.73 4.55 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 8.98 4.73 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.42 0.94 0.00 0.00 23 G 9.58 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.23 5.86 0.00 1.89 1.62 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.70 4.01 4.38 0.00 0.00 0.00 0.00 0.00 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 *31 R 8.26 3.99 0.00 1.85 1.70 0.00 3.19 0.00 0.00 3.23 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 32 F 5.47 4.98 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.40 5.71 0.00 3.10 3.34 0.00 5.33 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.95 4.45 0.00 3.29 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.54 4.86 0.00 3.90 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.41 4.46 0.00 2.00 1.78 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 2.18 2.28 0.00 37 K 8.69 4.74 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 1.04 7.81 38 L 9.02 4.95 0.00 1.66 1.55 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.01 5.14 0.00 2.80 2.66 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 40 K 8.71 4.03 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.57 7.81 41 G 9.55 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.36 4.31 0.00 2.09 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 2.33 2.26 0.00 43 V 8.26 4.94 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.07 4.70 0.00 1.74 1.46 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 4.85 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.60 0.00 0.00 46 A 9.02 4.66 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.48 5.02 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 48 F 8.74 4.49 0.00 3.06 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 49 T 8.46 4.56 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 E 8.76 4.15 0.00 2.11 2.15 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 2.33 2.33 0.00 51 H 8.46 4.04 0.00 3.12 3.43 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.55 4.77 4.33 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 1.34 0.00 0.00 53 S 8.93 4.54 0.00 3.93 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 0.00 54 A 8.10 5.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.53 4.97 1.82 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.86 0.00 0.00 56 K 9.33 4.61 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 57 V 8.56 4.85 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 0.84 0.00 0.00 0.93 0.00 0.00 58 R 9.08 4.55 0.00 1.50 1.76 0.00 3.30 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 59 G 8.87 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.08 4.60 0.00 1.89 1.73 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 A 9.03 5.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.13 5.00 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.46 4.95 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.89 0.00 0.00 64 Q 9.16 4.94 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 65 T 8.49 4.86 4.13 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 1.18 0.00 0.00 66 R 8.52 3.63 0.00 1.58 1.78 0.00 3.18 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 67 H 7.61 4.71 0.00 3.19 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.08 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.77 4.55 1.54 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 0.64 0.00 0.00 1.01 0.00 0.00 70 I 8.20 4.44 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.22 0.86 0.00 0.00 71 E 8.78 5.26 0.00 2.11 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 2.23 2.48 0.00 72 S 9.05 4.65 0.00 3.93 3.98 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 0.00 0.00 0.00 73 E 8.73 4.72 0.00 1.97 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 2.20 2.36 0.00 74 G 8.71 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 * Residues marked with a * may have inaccurate shift predictions.