NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4753 8.3344 116.8047 58.3366 64.8348 173.0138 8 D 4.8770 7.9803 120.1246 51.5133 43.1865 173.8636 9 F 5.5372 8.8260 117.5779 55.2912 42.0381 173.5325 10 V 4.6765 9.3039 112.2761 59.5989 35.5328 174.8384 11 V 4.7732 8.6808 124.0357 61.3988 33.7572 174.4703 12 I 4.9902 8.9571 128.6208 59.4176 40.6232 174.0904 13 K 5.0327 9.2750 129.0297 54.4410 34.6567 174.7650 14 A 4.6045 8.8457 129.9777 51.8796 19.2797 177.5623 15 L 4.6614 9.1981 122.7200 55.0212 42.6623 175.8099 16 E 4.7859 7.7318 115.6416 54.6864 33.0824 174.5981 17 D 4.6069 8.7189 119.4902 54.9092 41.5588 176.0844 18 G 3.8802 8.4213 106.8108 46.7253 0.0000 174.4407 19 V 3.9633 7.7808 119.1727 62.3548 33.2512 174.1330 20 N 5.2256 9.3788 125.8566 51.9067 41.0649 173.2525 21 V 4.5583 8.7323 127.5421 61.5995 33.0968 173.9830 22 I 4.7691 8.9047 130.3707 59.6212 39.0618 175.2320 23 G 4.3491 9.4553 115.7937 45.0746 0.0000 172.4315 24 L 5.3027 8.9416 124.5846 53.0696 44.9219 176.0080 25 T 5.2715 8.0209 111.5165 59.0246 71.6426 175.4229 26 R 4.0290 8.2356 119.4618 57.2376 29.6467 177.7052 *30 T 4.5466 8.1763 110.6749 61.4711 69.1498 174.4552 31 R 4.6519 7.4827 120.8549 56.5870 30.3356 175.7782 32 F 4.8203 9.1684 118.5746 58.2682 40.5249 172.8012 33 H 4.6133 9.0305 125.3359 56.4670 31.7721 175.1957 34 H 4.3170 9.6900 124.1816 56.4880 31.0550 173.6968 35 S 4.9170 8.4395 120.7949 57.2241 64.4732 173.2819 36 E 4.4611 8.4389 127.0710 55.5268 32.4272 174.9609 37 K 4.7767 8.6723 130.9333 54.9423 33.1575 172.7659 38 L 4.9905 9.0309 122.8804 52.7706 45.6152 175.5050 39 D 5.2109 10.0072 123.3884 51.7908 44.0968 175.5747 40 K 4.0079 8.7575 122.2765 59.1684 31.9864 176.9163 41 G 4.0055 9.2738 116.0690 44.9566 0.0000 172.9487 42 E 4.3314 8.3019 119.9510 56.0663 31.0303 175.8659 43 V 4.8762 8.2588 121.6169 61.0448 34.3314 174.1788 44 L 4.6829 9.2528 129.9229 53.3327 44.6646 174.9912 45 I 4.8144 8.4622 126.7615 59.8646 38.4548 174.3345 46 A 4.6326 8.9277 130.2658 50.1503 20.8968 175.2392 47 Q 5.0313 8.4725 123.5855 54.2592 31.4994 174.8909 48 F 4.4741 8.7133 124.5795 57.5989 39.6239 175.8277 49 T 4.5678 8.4607 114.6716 59.7932 71.1301 174.3488 50 E 4.1513 8.7761 118.6635 59.8456 30.0557 177.7854 51 H 4.0451 8.5217 116.6230 57.9278 28.8446 174.2426 52 T 4.8207 7.5106 115.2283 61.7484 69.0007 173.9377 53 S 4.5087 8.8716 122.3414 60.5497 63.8651 174.5829 54 A 5.1239 8.0665 120.5127 49.7077 22.9413 174.7192 55 I 4.9130 8.4837 119.2957 59.4216 40.4901 174.8218 56 K 4.5296 9.1828 128.8472 54.5508 34.6429 174.9008 57 V 4.7960 8.3332 126.2553 61.2954 33.7675 174.5113 58 R 4.4833 9.0140 127.8824 54.9001 32.1817 175.3947 59 G 4.0476 8.8431 109.1441 43.0406 0.0000 172.7561 60 K 4.5773 8.9753 121.2340 55.9889 32.7133 175.5347 61 A 5.1054 8.9971 128.5691 50.7574 23.5776 173.5487 62 Y 4.9767 9.1501 121.2001 56.0102 41.0663 174.5946 63 I 4.9777 8.6616 127.2402 59.5077 40.9072 174.2991 64 Q 4.9516 9.2094 125.9843 54.2649 31.5395 174.8916 65 T 4.8890 8.5985 112.9927 59.2857 72.4392 174.6468 66 R 3.6771 8.5561 121.2716 59.5491 29.7996 176.3603 67 H 4.7185 7.5926 112.5139 55.3530 29.2173 173.8032 68 G 3.7649 7.8553 106.5806 44.1230 0.0000 173.4486 69 V 4.5900 7.9125 111.6340 60.3942 33.8402 175.4201 70 I 4.4926 8.2270 121.3355 59.9580 41.9236 172.6587 71 E 5.2349 8.7243 128.1399 54.3799 31.8495 174.9961 72 S 4.6393 9.0305 122.4390 56.6579 65.0019 174.7984 73 E 4.9317 8.5255 124.3961 55.6038 29.9478 175.4429 74 G 3.9995 7.7530 108.1909 43.7307 0.0000 174.0708 75 K 4.1430 8.4238 117.4722 57.1192 32.6060 176.8025 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 7.98 4.88 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 8.83 5.54 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 4.68 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 0.73 0.00 0.00 0.91 0.00 0.00 11 V 8.68 4.77 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 0.90 0.00 0.00 1.15 0.00 0.00 12 I 8.96 4.99 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 1.09 0.57 0.92 0.00 0.00 13 K 9.28 5.03 0.00 1.88 1.80 0.00 1.68 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 8.85 4.60 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 9.20 4.66 0.00 1.57 1.72 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.73 4.79 0.00 1.91 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 2.18 2.34 0.00 17 D 8.72 4.61 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 8.42 3.88 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 0.00 0.00 0.00 19 V 7.78 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 1.00 0.00 0.00 0.99 0.00 0.00 20 N 9.38 5.23 0.00 2.79 2.62 0.00 0.00 6.65 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 4.56 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 8.90 4.77 1.80 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 1.16 0.43 0.93 0.00 0.00 23 G 9.46 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 5.30 0.00 1.86 1.60 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.02 5.27 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 1.06 0.00 0.00 26 R 8.24 4.03 0.00 1.82 1.99 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 *30 T 8.18 4.55 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 31 R 7.48 4.65 0.00 2.10 2.05 0.00 3.07 0.00 0.00 3.28 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 32 F 9.17 4.82 0.00 2.97 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 33 H 9.03 4.61 0.00 3.11 3.20 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.69 4.32 0.00 3.31 3.25 0.00 5.90 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.44 4.92 0.00 3.92 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 36 E 8.44 4.46 0.00 1.98 1.77 0.00 0.00 0.00 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 8.67 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 2.61 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 9.03 4.99 0.00 1.51 1.53 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.01 5.21 0.00 2.78 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 40 K 8.76 4.01 0.00 1.78 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 41 G 9.27 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.30 4.33 0.00 2.10 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 8.26 4.88 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 9.25 4.68 0.00 1.72 1.46 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.81 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 8.93 4.63 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 47 Q 8.47 5.03 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.71 4.47 0.00 3.08 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 4.57 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 1.23 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 2.34 0.00 51 H 8.52 4.05 0.00 3.28 3.46 0.00 5.76 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 52 T 7.51 4.82 4.34 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 1.28 0.00 0.00 53 S 8.87 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 5.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.91 1.80 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.88 0.00 0.00 56 K 9.18 4.53 0.00 1.64 1.52 0.00 1.37 0.00 0.00 1.44 0.00 0.00 2.56 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.26 1.24 7.81 57 V 8.33 4.80 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 0.87 0.00 0.00 0.91 0.00 0.00 58 R 9.01 4.48 0.00 1.77 1.81 0.00 3.16 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 1.53 1.51 0.00 59 G 8.84 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 8.98 4.58 0.00 2.22 1.73 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 61 A 9.00 5.11 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 9.15 4.98 0.00 2.97 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.98 1.87 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 1.20 0.56 0.89 0.00 0.00 64 Q 9.21 4.95 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 65 T 8.60 4.89 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 8.56 3.68 0.00 1.58 1.78 0.00 3.18 0.00 0.00 3.13 7.37 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 7.59 4.72 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 7.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.59 1.55 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 0.65 0.00 0.00 0.97 0.00 0.00 70 I 8.23 4.49 1.83 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 1.10 0.66 0.85 0.00 0.00 71 E 8.72 5.23 0.00 2.09 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 2.36 0.00 72 S 9.03 4.64 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.93 0.00 1.94 1.95 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 2.21 2.27 0.00 74 G 7.75 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 75 K 8.42 4.14 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.