NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 71 R 4.5943 8.0976 119.7039 56.4310 34.2777 174.9745 72 I 4.9792 8.6057 121.0394 59.7504 39.5929 173.3732 73 L 5.0635 9.2771 125.4999 52.8539 46.7549 176.5633 74 S 5.0854 8.3796 114.6530 56.9947 66.0719 173.2550 75 G 4.0725 8.5886 108.5405 46.1767 0.0000 171.4698 76 V 4.7819 8.3530 119.3720 60.9031 34.6043 175.5217 77 V 4.2371 8.5704 127.4892 62.0156 31.1104 176.2757 78 T 4.0337 8.5396 124.1785 64.4359 68.2794 174.7385 79 K 4.4723 7.7444 120.6701 55.1421 35.4536 177.2678 80 M 4.0100 8.9406 125.9812 57.6413 32.5685 176.3262 81 K 4.1729 7.6858 117.8193 57.3738 31.6592 175.4839 82 M 3.7036 8.2020 124.2184 54.5633 35.3135 175.3317 83 Q 4.2072 8.2816 117.3192 56.1811 29.5021 176.2929 84 R 4.5346 8.3020 119.7220 56.6978 31.3836 175.5676 85 T 5.0263 8.5053 116.9457 61.8350 73.2703 173.0594 86 I 4.8575 8.6086 117.4810 59.0617 41.2931 174.5599 87 V 4.5738 9.1523 125.9886 60.3790 33.1682 174.5057 88 I 4.5674 8.7850 127.3907 59.9041 39.3351 174.5967 89 R 5.1667 8.5638 127.1082 54.3579 33.5495 174.7964 90 R 4.7359 9.5583 122.9250 54.5581 33.4966 173.6464 91 D 5.3394 8.7147 124.5258 52.6049 44.4931 173.7378 92 Y 4.9811 8.8022 123.3663 55.1328 41.8761 174.2674 93 L 4.5958 8.5947 122.6991 54.8105 43.2146 175.9447 94 H 4.1445 8.5983 124.7068 56.5172 29.9562 175.1245 95 Y 4.0947 7.9509 122.2388 60.4512 38.0489 176.5003 96 I 4.4311 7.4312 118.0554 59.1631 39.2521 175.2441 97 R 4.2080 8.2586 125.4394 57.0792 30.6818 177.7319 98 K 4.0756 8.7537 116.9073 56.6582 29.9908 176.1633 99 Y 4.6394 7.4750 115.3933 56.1592 40.5958 175.0589 100 N 4.8344 8.4643 121.3422 52.0983 38.3115 174.1192 101 R 3.7383 7.9496 119.9422 57.4690 31.2398 175.0554 102 F 4.6909 8.4085 125.7118 56.8446 39.7148 174.4839 103 E 4.6559 9.2428 126.1513 53.9447 31.8543 174.6708 104 K 5.2344 8.3434 124.6851 54.4947 35.3627 175.4861 105 R 4.9441 9.3894 120.5493 55.1300 34.5968 173.7980 106 H 5.2799 8.4727 115.9971 54.6066 31.7662 172.0898 107 K 4.7387 9.5400 119.9150 55.0365 36.2877 174.2575 108 N 5.4787 8.7284 120.4705 51.5841 41.3053 173.7418 109 M 4.6580 8.7773 122.4347 53.7496 35.8641 174.6772 110 S 4.9683 8.7180 120.8052 57.3295 62.8978 172.4241 111 V 4.5359 7.6542 127.8748 60.7403 32.7391 175.5564 112 H 4.2936 9.2732 125.1500 56.0781 29.8924 175.5422 113 L 3.9503 8.8418 129.3460 57.3022 42.2342 177.0420 114 S 4.7045 6.9898 110.0173 57.3169 64.5976 175.2145 115 P 4.6624 0.0000 0.0000 65.7877 31.1156 178.3386 116 C 4.6949 7.7235 108.6988 60.6032 31.8701 174.8047 117 F 3.8823 8.4768 123.8341 59.8388 38.6828 175.6199 118 R 3.9140 8.8804 118.6192 57.0685 28.0618 178.0085 119 D 4.8443 8.7495 118.0830 56.6741 41.5915 175.7249 120 V 4.2568 6.8544 114.3083 60.9024 33.5680 174.4431 *122 I 3.9626 7.9846 121.4510 62.3287 37.7380 176.2928 123 G 4.0623 8.5479 113.1363 45.2161 0.0000 173.7353 124 D 4.6525 7.9852 119.7906 54.1611 42.6184 175.4519 125 I 4.7187 8.5915 115.8242 59.6999 39.4651 175.1080 126 V 4.7681 8.3252 119.7956 59.8088 35.4120 174.7055 127 T 5.1307 8.7969 118.6664 61.9225 71.0839 174.2776 128 V 4.9002 9.2965 125.9706 59.9055 34.4134 174.8126 129 G 4.5993 9.2817 109.9682 44.1466 0.0000 171.8222 130 E 3.4884 8.8523 123.6935 55.9405 30.1730 175.9696 131 C 4.7158 7.7657 122.1050 57.4621 32.5177 173.6506 132 R 3.8251 8.4688 121.4131 55.8889 30.0574 174.4112 133 P 4.5365 0.0000 0.0000 62.2802 31.6113 176.6289 134 L 4.1164 8.6155 124.5071 57.2380 41.8756 176.7584 135 S 4.6526 7.4603 109.7299 56.5506 66.1817 174.0049 136 K 4.0895 8.7103 119.3567 59.9536 31.7570 178.9675 137 T 3.9339 7.9629 111.4572 63.9200 67.2915 173.7209 138 V 5.2025 7.3113 119.6835 60.1947 34.0775 173.7241 *140 F 4.5260 8.0429 119.2077 57.4332 40.5717 174.1474 141 N 5.5242 9.0812 118.1531 51.2454 42.8671 174.0724 142 V 4.1971 8.0414 121.5494 62.8176 31.2952 175.8190 143 L 4.2509 9.2774 131.9529 56.8036 42.2271 176.8285 144 K 4.4045 7.5130 115.3061 56.0649 35.3275 173.4866 145 V 4.1708 8.3369 121.4300 61.7235 31.9958 176.0911 146 T 4.1006 9.1703 123.1814 66.1054 68.5800 174.7525 147 K 4.6078 7.6515 118.0988 55.0819 36.9757 175.7165 148 A 5.0862 8.3822 123.5526 52.1818 18.5515 177.6506 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 71 R 8.10 4.59 0.00 1.88 1.67 0.00 3.07 0.00 0.00 3.37 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 72 I 8.61 4.98 1.90 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 1.38 0.81 0.95 0.00 0.00 73 L 9.28 5.06 0.00 1.39 1.43 0.83 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.38 5.09 0.00 3.80 3.78 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 0.00 0.00 0.00 75 G 8.59 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.35 4.78 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 0.95 0.00 0.00 0.90 0.00 0.00 77 V 8.57 4.24 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 1.13 0.00 0.00 0.93 0.00 0.00 78 T 8.54 4.03 4.23 0.00 0.00 0.00 0.00 0.00 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 79 K 7.74 4.47 0.00 1.69 1.65 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 80 M 8.94 4.01 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 81 K 7.69 4.17 0.00 1.91 1.85 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 82 M 8.20 3.70 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 83 Q 8.28 4.21 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 84 R 8.30 4.53 0.00 1.81 1.85 0.00 3.12 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 85 T 8.51 5.03 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 1.26 0.00 0.00 86 I 8.61 4.86 1.85 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 1.23 1.05 0.90 0.00 0.00 87 V 9.15 4.57 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 0.68 0.00 0.00 0.96 0.00 0.00 88 I 8.78 4.57 1.79 0.00 0.00 0.81 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 1.06 0.93 0.00 0.00 89 R 8.56 5.17 0.00 1.68 1.78 0.00 3.15 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 90 R 9.56 4.74 0.00 1.84 1.83 0.00 3.14 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 91 D 8.71 5.34 0.00 2.77 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.80 4.98 0.00 2.90 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 93 L 8.59 4.60 0.00 1.78 1.62 0.51 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.60 4.14 0.00 3.14 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.95 4.09 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.43 4.43 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 1.20 0.00 0.00 97 R 8.26 4.21 0.00 1.96 1.87 0.00 3.26 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 98 K 8.75 4.08 0.00 1.80 1.78 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.35 7.81 99 Y 7.48 4.64 0.00 3.42 2.78 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 0.00 0.00 0.00 100 N 8.46 4.83 0.00 2.36 2.69 0.00 0.00 6.14 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 0.00 101 R 7.95 3.74 0.00 1.90 1.80 0.00 3.12 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 102 F 8.41 4.69 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 9.24 4.66 0.00 1.76 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 2.02 1.84 0.00 104 K 8.34 5.23 0.00 1.75 1.84 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.26 7.81 105 R 9.39 4.94 0.00 1.76 1.86 0.00 3.40 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 106 H 8.47 5.28 0.00 3.28 3.20 0.00 5.47 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 9.54 4.74 0.00 1.74 1.59 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.40 7.81 108 N 8.73 5.48 0.00 2.60 2.69 0.00 0.00 6.65 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 0.00 109 M 8.78 4.66 0.00 1.94 1.64 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.17 0.00 110 S 8.72 4.97 0.00 3.98 3.85 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 0.00 111 V 7.65 4.54 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 0.71 0.00 0.00 1.09 0.00 0.00 112 H 9.27 4.29 0.00 3.29 3.44 0.00 5.79 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 0.00 113 L 8.84 3.95 0.00 1.62 1.66 0.92 1.00 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 0.00 114 S 6.99 4.70 0.00 4.06 3.82 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 0.00 115 P 0.00 4.66 0.00 2.14 2.24 0.00 3.77 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 2.10 2.22 0.00 116 C 7.72 4.69 0.00 2.93 2.87 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 0.00 117 F 8.48 3.88 0.00 3.07 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 0.00 118 R 8.88 3.91 0.00 2.04 1.99 0.00 3.19 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 119 D 8.75 4.84 0.00 2.20 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 0.00 120 V 6.85 4.26 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 0.92 0.00 0.00 0.92 0.00 0.00 *122 I 7.98 3.96 1.87 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 1.35 0.66 0.91 0.00 0.00 123 G 8.55 4.06 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 0.00 0.00 0.00 124 D 7.99 4.65 0.00 2.61 2.59 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 0.00 125 I 8.59 4.72 1.85 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 1.43 0.95 0.89 0.00 0.00 126 V 8.33 4.77 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 0.69 0.00 0.00 0.92 0.00 0.00 127 T 8.80 5.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 128 V 9.30 4.90 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 0.58 0.00 0.00 1.17 0.00 0.00 129 G 9.28 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.85 3.49 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.59 0.00 131 C 7.77 4.72 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.47 3.83 0.00 1.72 1.83 0.00 3.38 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 133 P 0.00 4.54 0.00 2.06 1.98 0.00 3.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 134 L 8.62 4.12 0.00 1.64 1.61 1.55 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.46 4.65 0.00 3.92 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 0.00 136 K 8.71 4.09 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.38 7.81 137 T 7.96 3.93 4.27 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 1.32 0.00 0.00 138 V 7.31 5.20 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 1.16 0.00 0.00 1.33 0.00 0.00 *140 F 8.04 4.53 0.00 3.14 3.04 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 0.00 141 N 9.08 5.52 0.00 2.61 2.70 0.00 0.00 6.78 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.04 4.20 2.22 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 0.68 0.00 0.00 1.00 0.00 0.00 143 L 9.28 4.25 0.00 1.66 1.81 0.92 0.61 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 0.00 144 K 7.51 4.40 0.00 1.73 1.80 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.24 7.81 145 V 8.34 4.17 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 0.70 0.00 0.00 1.02 0.00 0.00 146 T 9.17 4.10 4.32 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 0.00 0.00 0.00 1.20 0.00 0.00 147 K 7.65 4.61 0.00 1.65 1.63 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.43 7.81 148 A 8.38 5.09 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 * Residues marked with a * may have inaccurate shift predictions.