NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.1593 8.1133 119.6469 54.6510 32.7764 173.9162 6 E 4.9387 7.6806 119.8994 55.3147 31.7737 173.7440 7 G 4.2184 9.0248 109.7808 45.9420 0.0000 170.9014 8 T 5.1776 8.3433 109.4403 59.6463 71.7144 173.1364 9 L 4.8205 8.9705 128.0435 54.6138 43.5724 175.3076 10 F 5.3805 8.8721 119.6441 56.0007 41.9845 172.1195 11 Y 3.8688 8.7270 121.3260 56.3366 40.2893 173.4001 12 D 4.7864 7.4206 127.1717 53.0556 41.6293 176.0677 13 T 3.8434 8.5846 123.3143 67.0175 68.7576 177.2972 14 E 4.2506 7.5210 119.0234 55.3058 28.7792 178.5531 15 T 4.8103 7.4493 117.2006 61.3927 69.1236 173.4740 16 G 4.8450 8.3928 126.5801 46.6125 0.0000 170.8654 17 R 4.4290 10.6400 116.4155 53.9595 34.7067 175.4002 18 Y 4.1476 7.2563 117.8801 57.5090 39.9955 173.9004 19 D 4.9332 8.6837 120.9213 52.8068 46.0102 173.6664 20 I 4.7605 7.9851 120.2196 59.2584 40.7001 174.6736 21 R 4.2183 8.9094 128.1962 55.1460 30.5966 176.6954 22 F 4.4755 8.7544 126.3544 58.9478 39.9751 175.0614 23 D 4.7974 7.3310 117.6872 51.7761 44.6374 175.0240 24 L 3.9523 8.6139 122.0949 57.8488 41.8450 177.0656 25 E 4.8837 7.7605 116.4577 55.9554 30.7944 175.5522 26 S 4.6144 7.7659 112.9677 56.6432 64.7121 172.4520 27 F 5.3482 8.7459 125.5876 55.5297 42.1202 175.0036 28 Y 4.3880 8.7962 124.7420 60.1699 38.6534 177.0932 29 G 3.8691 8.5053 105.7335 43.9827 0.0000 172.8596 30 G 3.8585 8.3171 108.5911 44.4015 0.0000 173.7264 31 L 4.5855 8.3649 126.0755 54.5046 42.7595 176.2342 32 H 5.2238 10.0783 120.9031 53.7027 31.1915 174.0181 33 C 4.4788 8.8800 118.9615 62.1618 28.3188 174.7044 34 G 4.0522 9.0648 112.6798 45.1684 0.0000 173.7901 35 E 4.3265 8.2318 120.6260 56.5981 30.3774 175.9277 36 C 5.1458 8.3212 118.8010 56.8136 32.4417 172.4306 37 F 4.6963 7.6757 113.7222 56.9369 41.2345 171.9860 38 D 5.4875 9.0967 119.1932 52.8713 43.5694 175.9070 39 V 4.8677 8.8729 121.6829 61.0025 34.2965 174.5003 40 K 3.8546 8.9800 130.2206 55.8450 32.8596 176.4242 41 V 4.1100 8.6306 127.2239 61.2022 34.5036 177.3126 42 K 3.8103 8.9420 132.4637 57.5083 31.5013 175.4186 43 D 4.7021 9.2474 112.1739 52.6611 40.4648 176.0539 44 V 4.4542 7.7850 120.4160 61.1201 34.9606 174.0519 45 W 5.1012 8.7391 125.1765 55.1806 30.7951 175.4449 46 V 4.4812 9.0182 126.1552 60.3158 32.9963 173.0312 47 P 4.9246 0.0000 0.0000 62.5326 32.2094 175.8549 48 V 4.6720 8.6137 116.2789 59.5673 36.9784 174.0866 49 R 4.6663 8.3874 120.8323 54.6841 33.4459 173.5087 50 I 4.5906 8.3418 126.5227 59.6983 39.6620 173.0116 51 E 4.5074 8.6377 131.1334 56.0482 33.7790 175.5646 *53 G 4.1127 9.0817 116.3540 46.7837 0.0000 173.9567 54 D 4.4742 9.2809 124.8656 56.0591 41.6947 175.3045 55 D 4.5785 7.4846 115.7211 52.2618 44.1413 174.4276 56 W 4.6321 8.5962 122.9528 57.3855 29.7318 175.1203 57 Y 5.0332 8.7052 119.2791 56.0367 41.4952 173.1942 58 L 5.0043 8.6072 119.6138 53.0526 44.2364 176.1035 59 V 4.2090 8.5251 124.0150 62.5175 32.7619 176.4809 60 G 4.1145 9.7219 114.8626 45.5153 0.0000 173.3896 61 L 4.3130 7.4451 119.5475 54.0636 44.9529 173.6505 62 N 4.7621 8.7522 123.9857 52.3704 39.0422 174.8690 63 V 4.6180 7.9898 115.9651 59.1068 35.6692 176.1160 64 S 4.2943 8.7555 117.2195 61.3129 63.1900 174.4267 65 R 4.5895 7.3187 113.5237 55.2157 31.4271 174.5340 66 L 4.1481 8.2854 118.2644 56.4870 42.1872 177.0812 67 D 4.5010 8.1523 118.9750 55.9855 40.8925 176.7753 68 G 4.0311 9.1546 112.8072 45.0941 0.0000 173.5204 69 L 4.2337 7.5232 120.3624 54.8348 43.1197 176.2909 70 R 4.8598 8.5224 121.0764 55.5678 31.8856 175.9827 71 V 5.3655 9.0735 116.5130 59.7539 36.5668 175.8517 72 R 5.1502 8.7750 120.7791 56.4480 30.2931 174.5272 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 R 8.11 4.16 0.00 1.76 1.80 0.00 3.10 0.00 0.00 3.22 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 6 E 7.68 4.94 0.00 2.02 2.03 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 2.32 2.33 0.00 7 G 9.02 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 5.18 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 1.22 0.00 0.00 9 L 8.97 4.82 0.00 1.64 1.65 0.65 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.87 5.38 0.00 3.22 3.14 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 0.00 0.00 0.00 0.00 11 Y 8.73 3.87 0.00 2.23 2.70 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 12 D 7.42 4.79 0.00 2.38 2.38 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 13 T 8.58 3.84 4.19 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 1.22 0.00 0.00 14 E 7.52 4.25 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 15 T 7.45 4.81 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 1.15 0.00 0.00 16 G 8.39 4.84 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 0.00 0.00 0.00 17 R 10.64 4.43 0.00 1.52 1.46 0.00 3.11 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 18 Y 7.26 4.15 0.00 2.42 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.93 0.00 2.19 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 0.00 0.00 0.00 0.00 20 I 7.99 4.76 1.29 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.21 -0.11 0.00 0.00 21 R 8.91 4.22 0.00 1.81 1.71 0.00 2.93 0.00 0.00 2.99 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.00 22 F 8.75 4.48 0.00 3.13 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 23 D 7.33 4.80 0.00 2.61 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 24 L 8.61 3.95 0.00 1.59 1.69 0.90 0.81 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 E 7.76 4.88 0.00 1.97 1.96 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 2.24 2.26 0.00 26 S 7.77 4.61 0.00 3.80 3.77 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 0.00 0.00 0.00 27 F 8.75 5.35 0.00 3.07 3.19 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 28 Y 8.80 4.39 0.00 2.80 3.19 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 29 G 8.51 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.32 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 31 L 8.36 4.59 0.00 1.43 1.57 0.61 0.62 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 32 H 10.08 5.22 0.00 3.17 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.88 4.48 0.00 3.06 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.06 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 35 E 8.23 4.33 0.00 2.09 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 2.46 2.60 0.00 36 C 8.32 5.15 0.00 2.86 2.83 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 0.00 0.00 0.00 37 F 7.68 4.70 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 38 D 9.10 5.49 0.00 2.68 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 39 V 8.87 4.87 2.18 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 0.96 0.00 0.00 1.13 0.00 0.00 40 K 8.98 3.85 0.00 0.79 1.38 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.98 0.97 7.81 41 V 8.63 4.11 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 0.90 0.00 0.00 0.95 0.00 0.00 42 K 8.94 3.81 0.00 1.84 1.22 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.35 7.81 43 D 9.25 4.70 0.00 2.75 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 44 V 7.79 4.45 2.03 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 1.01 0.00 0.00 0.91 0.00 0.00 45 W 8.74 5.10 0.00 3.22 3.12 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 46 V 9.02 4.48 2.12 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 1.06 0.00 0.00 0.95 0.00 0.00 47 P 0.00 4.92 0.00 2.09 2.05 0.00 3.40 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 48 V 8.61 4.67 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 0.77 0.00 0.00 0.30 0.00 0.00 49 R 8.39 4.67 0.00 1.73 1.60 0.00 3.06 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 50 I 8.34 4.59 2.03 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 1.12 0.00 0.00 51 E 8.64 4.51 0.00 1.16 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 2.01 2.25 0.00 *53 G 9.08 4.11 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 0.00 54 D 9.28 4.47 0.00 2.65 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 55 D 7.48 4.58 0.00 2.58 2.54 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 0.00 0.00 0.00 0.00 56 W 8.60 4.63 0.00 3.60 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.71 5.03 0.00 3.09 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 58 L 8.61 5.00 0.00 1.55 1.55 0.95 0.85 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 59 V 8.53 4.21 2.05 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 0.96 0.00 0.00 1.03 0.00 0.00 60 G 9.72 4.11 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 0.00 61 L 7.45 4.31 0.00 1.55 1.51 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.75 4.76 0.00 2.76 2.76 0.00 0.00 6.85 7.68 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 63 V 7.99 4.62 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 0.78 0.00 0.00 1.00 0.00 0.00 64 S 8.76 4.29 0.00 3.99 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 65 R 7.32 4.59 0.00 2.07 1.93 0.00 3.05 0.00 0.00 3.61 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 66 L 8.29 4.15 0.00 1.26 1.19 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.15 4.50 0.00 2.78 2.79 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 68 G 9.15 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 0.00 0.00 0.00 69 L 7.52 4.23 0.00 1.61 1.65 0.95 0.88 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 70 R 8.52 4.86 0.00 1.74 1.91 0.00 3.04 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 71 V 9.07 5.37 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 0.62 0.00 0.00 0.74 0.00 0.00 72 R 8.78 5.15 0.00 0.95 0.66 0.00 2.28 0.00 0.00 2.90 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.00 * Residues marked with a * may have inaccurate shift predictions.