NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4823 8.3344 116.8052 58.3177 64.8438 173.0330 8 D 4.8533 7.9740 120.1978 51.6583 43.0065 173.9534 9 F 5.5473 8.8670 117.7839 55.2950 42.0136 173.5309 10 V 4.6505 9.3004 112.5756 59.6217 35.4104 174.8164 11 V 4.7166 8.6137 124.2216 61.4915 33.4919 174.4695 12 I 4.9785 9.0492 128.9076 59.4273 40.4061 174.1732 13 K 5.0324 9.3053 129.1471 54.4313 34.5886 174.8086 14 A 4.5566 8.7305 130.0472 51.9121 19.2691 177.5095 15 L 4.6812 9.2647 122.5966 54.8475 42.7176 175.7209 16 E 4.8001 7.7880 115.7420 54.5836 33.1552 174.6546 17 D 4.5970 8.7183 119.3696 55.0240 41.5127 176.1297 18 G 3.8650 8.4328 107.1005 46.7189 0.0000 174.3938 19 V 3.9599 7.7158 119.3342 62.3590 33.1752 174.1539 20 N 5.1773 9.4052 125.9469 51.9286 41.1738 173.2668 21 V 4.5410 8.7020 127.6411 61.6003 33.0025 173.9345 22 I 4.6573 8.8190 130.3103 59.6507 39.2436 175.1589 23 G 4.3774 9.5774 115.9724 44.8644 0.0000 172.5449 24 L 5.2476 8.9488 124.1838 53.7037 44.8273 175.7627 25 T 4.3363 8.8500 119.4719 65.8074 71.1346 175.7076 *32 F 4.9171 8.0156 120.0072 56.9000 41.3515 176.1303 33 H 6.0268 8.1369 112.4421 52.7427 31.5529 172.5366 34 H 4.8044 8.8385 121.1123 54.7164 31.5243 172.9695 35 S 4.6970 8.3623 120.5437 57.1257 64.5569 173.2667 36 E 4.4340 8.3797 127.0736 55.5782 32.4243 174.8642 37 K 4.7776 8.6506 131.0537 54.8846 33.1539 172.7698 38 L 4.9609 8.9527 123.4238 52.6193 45.3589 175.5844 39 D 5.1621 9.9268 123.6114 51.9123 43.8765 175.8072 40 K 4.0039 8.6658 122.1334 59.1413 32.1616 177.0149 41 G 4.0241 9.2650 115.8468 44.9871 0.0000 173.2019 42 E 4.3028 8.3661 120.0015 56.1696 30.9233 175.9352 43 V 4.8977 8.2696 121.6389 61.0174 34.4857 174.2054 44 L 4.6910 9.0502 129.7563 53.3181 44.7791 174.9825 45 I 4.8627 8.4858 126.8199 59.8683 38.4029 174.3223 46 A 4.6314 8.9126 130.1913 50.1919 20.8884 175.3392 47 Q 5.0336 8.4814 123.4501 54.3477 31.4708 174.8428 48 F 4.5182 8.7985 124.3929 57.5022 39.6366 175.9072 49 T 4.5616 8.4640 114.8015 59.8151 71.1200 174.3560 50 E 4.1518 8.7759 118.6522 59.8545 29.7850 177.7959 51 H 4.0521 8.4709 115.5492 57.9251 28.7947 174.8237 52 T 4.7480 7.5129 115.1848 61.7502 68.9209 173.9412 53 S 4.5141 8.9023 122.2889 60.5559 63.8547 174.5764 54 A 5.1461 8.0687 120.5375 49.7180 22.9529 174.7033 55 I 4.9620 8.4940 119.2265 59.4295 40.4984 174.8139 56 K 4.6120 9.2228 128.7604 54.5608 34.7289 174.8359 57 V 4.8125 8.3920 126.1763 61.2549 33.8627 174.4958 58 R 4.5130 9.3611 127.7850 54.7498 32.2613 175.3229 59 G 4.1650 8.8539 109.0792 42.7776 0.0000 172.8135 60 K 4.5530 9.0464 121.5121 56.1017 32.7028 175.5433 61 A 5.1351 9.0639 128.7163 50.6649 23.6043 173.5510 62 Y 4.9685 9.3519 121.1675 56.0529 40.9600 174.5332 63 I 4.9256 8.6677 127.4834 59.5316 40.6731 174.3223 64 Q 4.9411 9.1214 126.4575 54.3088 31.2619 174.9333 65 T 4.8237 8.5874 113.0794 59.2674 72.4105 174.6322 66 R 3.6520 8.5658 121.1454 59.6175 29.8012 176.3589 67 H 4.6775 7.5429 112.4035 55.4824 28.9515 174.0287 68 G 3.7024 8.0170 106.9570 44.2114 0.0000 173.4764 69 V 4.5281 7.7700 111.3171 60.6720 33.5140 175.5423 70 I 4.3841 8.1190 120.6028 60.1526 41.8921 172.4928 71 E 5.2037 8.7455 127.9951 54.3556 31.9909 174.9962 72 S 4.5673 8.9655 122.1979 57.3971 65.1468 172.7907 73 E 4.7246 8.8014 125.5959 54.5046 30.0812 175.3989 74 G 3.9529 8.4333 114.9554 45.3487 0.0000 171.7969 75 K 4.2652 8.4030 120.0241 56.4074 32.3764 175.9060 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 4.03 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 D 7.97 4.85 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 8.87 5.55 0.00 3.13 2.98 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 10 V 9.30 4.65 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 0.72 0.00 0.00 0.86 0.00 0.00 11 V 8.61 4.72 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 1.02 0.00 0.00 1.16 0.00 0.00 12 I 9.05 4.98 1.87 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 1.10 0.65 0.92 0.00 0.00 13 K 9.31 5.03 0.00 1.87 1.81 0.00 1.67 0.00 0.00 1.67 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 8.73 4.56 1.36 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 0.00 0.00 15 L 9.26 4.68 0.00 1.57 1.72 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.79 4.80 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 8.72 4.60 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.72 3.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.05 0.00 0.00 20 N 9.41 5.18 0.00 2.79 2.62 0.00 0.00 6.63 7.74 0.00 0.00 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 8.70 4.54 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 0.86 0.00 0.00 0.91 0.00 0.00 22 I 8.82 4.66 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 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 8.95 5.25 0.00 1.87 1.59 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.85 4.34 4.28 0.00 0.00 0.00 0.00 0.00 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 *32 F 8.02 4.92 0.00 2.00 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 33 H 8.14 6.03 0.00 3.31 3.23 0.00 5.08 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.84 4.80 0.00 3.22 3.20 0.00 5.85 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.36 4.70 0.00 3.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.43 0.00 1.97 1.75 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 0.00 2.17 2.27 0.00 37 K 8.65 4.78 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 1.35 1.04 7.81 38 L 8.95 4.96 0.00 1.52 1.54 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.93 5.16 0.00 2.81 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 8.67 4.00 0.00 1.78 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 41 G 9.27 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 42 E 8.37 4.30 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 43 V 8.27 4.90 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 9.05 4.69 0.00 1.74 1.46 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 4.86 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 0.62 0.00 0.00 46 A 8.91 4.63 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 5.03 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 8.80 4.52 0.00 3.07 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 8.78 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 2.34 2.35 0.00 51 H 8.47 4.05 0.00 3.14 3.47 0.00 5.84 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 7.51 4.75 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 1.33 0.00 0.00 53 S 8.90 4.51 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 54 A 8.07 5.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.96 1.82 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 0.85 0.00 0.00 56 K 9.22 4.61 0.00 1.81 1.65 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 57 V 8.39 4.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 58 R 9.36 4.51 0.00 1.77 1.81 0.00 3.17 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 59 G 8.85 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.55 0.00 2.14 1.74 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 9.06 5.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.35 4.97 0.00 2.97 2.85 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 63 I 8.67 4.93 1.87 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 0.62 0.91 0.00 0.00 64 Q 9.12 4.94 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 65 T 8.59 4.82 4.12 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 1.17 0.00 0.00 66 R 8.57 3.65 0.00 1.59 1.78 0.00 3.19 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 1.55 1.62 0.00 67 H 7.54 4.68 0.00 3.15 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 8.02 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.53 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 0.66 0.00 0.00 0.98 0.00 0.00 70 I 8.12 4.38 1.83 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 1.10 1.09 0.86 0.00 0.00 71 E 8.75 5.20 0.00 2.10 1.84 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 2.23 2.37 0.00 72 S 8.97 4.57 0.00 3.95 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 8.80 4.72 0.00 1.97 1.93 0.00 0.00 0.00 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 2.36 0.00 74 G 8.43 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.40 4.27 0.00 1.70 1.67 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.