NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 L 4.3021 8.2845 120.7748 54.4243 42.2817 177.2336 6 S 4.0962 8.5947 112.1632 61.1738 62.0625 169.0198 7 Y 4.4700 8.3335 117.3756 58.9413 39.2212 175.6044 8 R 4.2203 7.6636 119.7961 55.4552 30.9769 177.0729 9 C 4.3211 8.7400 119.6118 56.7319 40.7359 172.6207 10 P 4.0437 0.0000 0.0000 65.0675 31.1753 176.7874 11 C 4.6740 7.9410 116.1335 55.2537 40.2361 173.0779 12 R 3.8258 8.4296 125.9482 57.9837 30.1254 176.3786 13 F 4.9830 7.6435 113.3609 55.5755 43.0128 173.3282 14 F 5.2676 7.7910 115.9424 55.2975 41.0951 173.7115 15 E 4.6754 9.3458 121.3078 55.4663 30.6222 177.2337 16 S 4.7805 8.7619 116.4816 58.8638 64.2727 174.2424 17 H 4.9686 8.0608 116.2029 55.3047 29.5447 173.6288 18 I 3.9417 7.9287 120.3932 61.2192 37.6864 175.4963 19 A 4.4071 8.4156 127.4239 50.9034 20.0633 178.0574 20 R 2.5100 7.5641 122.0938 58.8613 29.8614 178.5097 21 A 3.9239 7.5601 118.4513 54.2163 18.5656 177.1503 22 N 4.7084 8.2209 114.0216 52.9942 39.1014 173.5369 23 V 4.6260 7.3489 116.9628 61.1711 32.8864 175.7832 24 K 4.3783 9.0539 128.1499 59.6237 32.7097 176.7075 25 H 4.8889 7.7600 112.4261 55.0048 31.5431 172.5857 26 L 5.1767 8.8485 119.0818 53.1047 43.7004 175.7953 27 K 4.5842 9.2376 124.7172 54.7304 34.6212 174.7487 28 I 4.8290 8.3120 128.0418 59.4479 38.6842 175.2976 29 L 4.1022 8.8002 128.5310 54.2446 42.2206 178.1954 30 N 4.6824 8.4930 123.1310 52.5066 37.7103 175.0101 31 T 4.6234 7.2537 111.7409 58.3360 68.9541 173.6458 32 P 4.3633 0.0000 0.0000 66.0485 31.8966 178.2763 33 N 4.5466 8.1229 115.0455 54.7386 38.8376 175.3160 34 C 5.0512 7.7974 115.1334 54.8189 43.0950 174.0455 35 A 3.9240 8.5271 124.7378 53.6906 18.5556 177.7408 36 L 4.6662 7.8080 115.2234 53.3866 43.7956 175.9949 37 Q 4.6312 8.6363 120.9794 55.4736 31.1082 174.7817 38 I 4.8893 7.6103 121.1783 59.4428 39.8081 174.6989 39 V 4.9427 8.9811 126.3556 60.9566 35.1381 173.9285 40 A 5.1885 9.0702 127.6451 50.1273 22.5322 174.8261 41 R 4.8441 8.3797 121.7482 54.8782 31.9458 175.4128 42 L 4.8625 8.7370 126.9201 54.0315 42.9449 178.1521 43 K 4.0927 9.5124 123.3606 59.6676 32.4272 179.4589 44 N 4.4865 8.5298 116.4266 55.3019 37.4411 175.9862 45 N 4.7674 7.6642 112.0747 52.5668 39.8303 173.7913 46 N 4.3139 8.2158 115.5045 54.7976 38.2294 174.0668 47 R 4.3056 8.3093 115.1612 55.7526 31.5673 175.3694 48 Q 5.0816 8.5344 120.6514 54.7643 30.4821 175.4900 49 V 4.6550 8.9380 116.1104 59.8026 36.6007 174.0258 50 C 5.1511 8.7858 119.7524 56.4362 41.9954 172.6370 51 I 5.0374 8.3002 123.1928 59.0205 39.8649 174.9469 52 D 3.4685 8.8445 126.1686 53.7957 41.4399 175.5073 53 P 4.1831 0.0000 0.0000 64.6702 31.4066 176.9572 54 K 4.1597 7.8602 117.7439 55.9934 32.4872 176.6136 55 L 3.7327 7.5877 125.4164 55.6752 42.3912 178.1342 56 K 3.8385 8.8827 128.1549 57.6551 31.7534 175.1911 57 W 4.7461 7.7271 115.2347 57.2364 28.5040 178.3568 58 I 3.3784 7.0268 121.8396 64.3200 36.4874 177.5784 59 Q 3.9504 8.0214 119.9108 59.4443 28.8463 178.0819 60 E 3.9978 8.2626 119.5808 59.3968 29.5001 177.8921 61 Y 4.1690 8.0268 118.5491 60.8761 39.2247 177.8490 62 L 4.1679 8.5426 120.1858 57.6776 41.6263 179.3323 63 E 3.9661 8.2738 118.6304 59.5042 29.2441 179.6519 64 K 4.0094 8.0333 116.8491 59.1803 32.1169 179.0123 65 A 4.0235 7.4472 119.7551 54.3407 18.3246 178.8572 66 L 4.1253 7.5839 118.2023 57.0187 42.0268 177.3039 *67 N 4.5420 8.0351 120.3037 52.4011 38.3341 179.5213 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 *5 L 8.28 4.30 0.00 1.68 1.56 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.59 4.10 0.00 3.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.33 4.47 0.00 3.00 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 8 R 7.66 4.22 0.00 1.79 1.85 0.00 3.39 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 9 C 8.74 4.32 0.00 2.95 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 10 P 0.00 4.04 0.00 2.18 2.18 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 11 C 7.94 4.67 0.00 3.13 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 12 R 8.43 3.83 0.00 1.56 1.40 0.00 2.69 0.00 0.00 2.93 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.00 13 F 7.64 4.98 0.00 3.03 2.71 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 14 F 7.79 5.27 0.00 3.05 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 15 E 9.35 4.68 0.00 2.16 1.98 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 2.34 2.47 0.00 16 S 8.76 4.78 0.00 3.87 3.79 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 17 H 8.06 4.97 0.00 3.12 3.33 0.00 5.90 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.93 3.94 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 1.08 0.00 0.00 19 A 8.42 4.41 1.19 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 0.00 0.00 20 R 7.56 2.51 0.00 0.67 1.05 0.00 3.17 0.00 0.00 2.67 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.00 21 A 7.56 3.92 1.18 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 0.00 0.00 22 N 8.22 4.71 0.00 2.74 2.84 0.00 0.00 6.53 7.88 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 23 V 7.35 4.63 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 0.95 0.00 0.00 1.16 0.00 0.00 24 K 9.05 4.38 0.00 1.64 1.88 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.27 7.81 25 H 7.76 4.89 0.00 3.22 3.44 0.00 5.43 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.85 5.18 0.00 1.73 1.68 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.24 4.58 0.00 1.84 1.70 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 28 I 8.31 4.83 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.91 0.00 0.00 29 L 8.80 4.10 0.00 1.51 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.49 4.68 0.00 2.66 2.75 0.00 0.00 6.83 7.70 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 31 T 7.25 4.62 4.25 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 1.21 0.00 0.00 32 P 0.00 4.36 0.00 2.20 2.23 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 33 N 8.12 4.55 0.00 2.75 2.93 0.00 0.00 6.74 7.66 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 34 C 7.80 5.05 0.00 3.06 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 35 A 8.53 3.92 1.28 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 0.00 0.00 0.00 36 L 7.81 4.67 0.00 1.63 1.60 1.21 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.64 4.63 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 38 I 7.61 4.89 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.82 0.00 0.00 39 V 8.98 4.94 2.11 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 0.84 0.00 0.00 0.95 0.00 0.00 40 A 9.07 5.19 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 41 R 8.38 4.84 0.00 1.85 1.38 0.00 3.32 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 42 L 8.74 4.86 0.00 1.81 1.68 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.51 4.09 0.00 1.88 1.84 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.34 7.81 44 N 8.53 4.49 0.00 2.84 3.06 0.00 0.00 6.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.66 4.77 0.00 2.85 2.88 0.00 0.00 6.89 7.92 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 46 N 8.22 4.31 0.00 2.88 2.91 0.00 0.00 7.14 7.67 0.00 0.00 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 R 8.31 4.31 0.00 1.92 1.84 0.00 3.17 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 48 Q 8.53 5.08 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 49 V 8.94 4.66 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 0.79 0.00 0.00 0.98 0.00 0.00 50 C 8.79 5.15 0.00 3.22 3.08 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 0.00 0.00 0.00 0.00 51 I 8.30 5.04 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.68 0.00 0.00 52 D 8.84 3.47 0.00 2.76 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 53 P 0.00 4.18 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 54 K 7.86 4.16 0.00 1.74 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.23 7.81 55 L 7.59 3.73 0.00 1.56 0.96 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.88 3.84 0.00 1.81 1.75 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.04 7.81 57 W 7.73 4.75 0.00 3.54 3.33 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 58 I 7.03 3.38 1.57 0.00 0.00 -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 0.85 0.34 0.75 0.00 0.00 59 Q 8.02 3.95 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 60 E 8.26 4.00 0.00 2.16 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 0.00 2.47 2.43 0.00 61 Y 8.03 4.17 0.00 3.50 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 4.17 0.00 1.78 1.74 0.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.27 3.97 0.00 2.21 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 2.34 2.60 0.00 64 K 8.03 4.01 0.00 1.68 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 65 A 7.45 4.02 1.19 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 0.00 0.00 66 L 7.58 4.13 0.00 1.80 1.72 0.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 8.04 4.54 0.00 2.49 2.63 0.00 0.00 6.55 7.56 0.00 0.00 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.