NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3292 8.3049 120.3387 55.3955 34.1152 175.7133 2 E 3.9781 7.9685 117.5751 56.3904 30.5333 174.7150 3 Q 4.7403 7.8653 122.4062 54.4683 32.3957 173.8823 4 L 5.1773 8.3999 116.6383 56.0084 43.8036 175.4801 5 T 4.7185 8.3120 113.3798 61.3208 70.5180 173.4635 6 K 4.7184 7.6686 119.4398 54.6273 36.0143 176.6770 7 N 5.1004 8.5043 118.4435 52.3878 37.1601 173.9514 8 Q 4.3960 8.2415 114.9443 54.8650 27.6167 175.1915 *61 R 4.3479 7.9038 122.8052 55.9016 32.6222 177.2540 62 K 3.9634 7.9336 117.9283 59.2156 32.1819 178.5090 63 K 3.8907 7.9581 119.5570 59.5624 32.1646 178.6413 64 R 3.9035 7.9122 118.5183 59.3350 30.0727 177.7449 65 D 4.3046 8.0514 118.0513 57.2768 41.2068 177.8762 66 E 3.9264 8.4276 120.0507 59.2003 29.6175 178.6101 67 I 3.6885 7.6504 118.7377 64.0200 38.0408 177.5135 68 E 3.9396 8.3618 120.1070 59.1728 29.4679 178.6711 69 A 4.1497 8.0520 121.0597 55.1262 18.5193 179.8611 70 G 3.6105 8.2066 104.3408 47.7740 0.0000 175.8596 71 K 4.0390 8.0760 122.0336 59.4589 32.0130 179.1584 72 S 4.2554 8.1841 115.5533 61.7559 62.7487 175.9933 73 Y 4.1215 8.2132 122.3525 60.7946 38.5112 177.6787 74 C 4.1016 8.1368 119.6089 62.4983 31.4368 175.5591 75 S 4.1790 7.8919 115.0775 61.2597 62.0123 176.2617 76 R 3.8313 7.8071 118.4930 59.1469 28.8290 178.7743 77 R 3.7115 7.3231 118.1585 59.1296 30.1114 178.0507 78 F 4.2830 7.8140 118.9361 61.1849 39.5963 177.2371 79 G 3.6981 9.7862 103.1335 46.7769 0.0000 171.4791 80 G 3.6225 6.9531 113.4671 43.2771 0.0000 173.2311 81 A 4.0868 7.5616 119.5239 51.8200 22.5010 178.0258 82 T 3.3888 8.5274 120.5343 64.3345 67.7883 170.8909 83 C 5.3766 8.0867 120.6742 58.2219 30.5661 173.0111 84 D 4.3881 7.7953 121.0402 54.0707 41.0593 175.4326 85 D 4.1048 8.2462 119.7148 57.7746 40.7757 179.0108 86 K 4.7567 8.3185 122.4407 59.5226 33.0448 178.5083 87 S 3.8524 8.8362 114.1515 61.5685 62.4267 176.3867 88 A 4.4560 8.8776 125.9928 54.6773 18.2428 179.6498 89 Q 4.1268 7.9866 117.7159 58.7766 28.3603 179.0864 90 I 3.7039 8.0170 121.0981 64.5658 36.1670 178.1300 91 Y 4.4967 7.2688 116.1365 60.7748 37.3741 178.5486 92 A 4.0554 7.9034 121.3024 55.2101 18.6466 179.0602 93 R 4.0159 7.4928 115.1555 58.4316 30.3538 176.9006 94 F 4.0610 7.0025 115.6745 58.8883 39.8359 173.7164 95 D 4.2879 8.4570 127.1900 52.0684 41.4551 176.9219 96 K 3.7176 7.7814 127.1426 58.7736 32.2515 177.1778 97 N 4.4462 7.7224 114.1591 53.2004 39.5911 174.4940 98 D 4.2510 8.5430 119.3498 53.7047 41.2127 176.9088 99 W 4.9938 8.6031 127.6362 59.7221 29.4631 177.4580 100 R 4.1143 7.3276 113.4436 55.7576 29.9302 176.3421 101 I 4.6610 8.2555 120.9127 61.7252 36.6158 176.2317 102 Q 4.5585 8.9451 125.1352 54.7146 29.9720 175.3539 103 P 4.5019 0.0000 0.0000 64.6616 32.1173 177.7991 104 A 4.6439 8.1665 120.4325 54.3264 18.5934 177.8530 105 E 4.2168 8.1775 114.9418 57.6870 29.6630 176.0675 106 F 5.2318 8.8435 119.6934 55.5227 41.3833 174.4598 107 Y 5.7820 7.6125 119.6530 57.0665 39.5526 172.6812 108 R 4.7026 8.2434 119.8341 54.3615 33.1824 174.7453 109 F 4.6053 9.0793 126.7242 58.2743 40.4186 173.9663 110 H 5.0330 8.2715 122.4295 54.0807 32.0473 172.5119 111 D 4.8176 8.5718 121.4683 53.2291 43.2101 176.5573 112 A 3.6278 8.5734 127.4301 54.4159 19.5452 178.7085 113 E 3.9107 8.0957 114.6576 59.8664 29.7948 179.8303 114 V 3.4316 7.1563 119.0240 64.5748 31.1450 177.8005 115 N 4.1983 7.6519 116.9370 57.0214 38.8996 176.4996 116 T 3.8709 8.1333 110.6534 64.6309 69.1792 176.5184 117 F 4.3152 7.9076 122.8583 57.3822 39.1451 177.0250 118 G 4.4755 9.5865 105.1263 44.9541 0.0000 172.6061 119 Y 4.6602 7.0424 115.8185 55.5406 40.4983 174.5452 120 F 4.3395 8.9767 122.5212 57.9530 38.9892 175.0342 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 1 M 8.30 4.33 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 2 E 7.97 3.98 0.00 2.02 1.97 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 2.32 2.41 0.00 3 Q 7.87 4.74 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 1.69 2.06 0.00 4 L 8.40 5.18 0.00 2.20 1.95 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.31 4.72 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 0.90 0.00 0.00 6 K 7.67 4.72 0.00 1.48 1.65 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.48 7.81 7 N 8.50 5.10 0.00 2.71 2.93 0.00 0.00 6.10 7.39 0.00 0.00 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 Q 8.24 4.40 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 *61 R 7.90 4.35 0.00 1.90 1.94 0.00 3.23 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 62 K 7.93 3.96 0.00 1.86 1.78 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.49 7.81 63 K 7.96 3.89 0.00 1.85 1.78 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.49 7.81 64 R 7.91 3.90 0.00 1.91 2.04 0.00 3.23 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 65 D 8.05 4.30 0.00 2.80 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 66 E 8.43 3.93 0.00 2.14 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 0.00 2.29 2.30 0.00 67 I 7.65 3.69 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 1.41 1.19 1.04 0.00 0.00 68 E 8.36 3.94 0.00 2.17 2.16 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 2.33 2.35 0.00 69 A 8.05 4.15 1.41 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 0.00 0.00 70 G 8.21 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.08 4.04 0.00 1.99 2.04 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 72 S 8.18 4.26 0.00 4.21 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 73 Y 8.21 4.12 0.00 3.09 3.25 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 74 C 8.14 4.10 0.00 3.28 3.16 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 75 S 7.89 4.18 0.00 3.93 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 76 R 7.81 3.83 0.00 2.05 2.14 0.00 2.73 0.00 0.00 2.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 77 R 7.32 3.71 0.00 1.67 2.11 0.00 3.23 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 78 F 7.81 4.28 0.00 3.03 3.24 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 0.00 79 G 9.79 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 80 G 6.95 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.56 4.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.53 3.39 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 83 C 8.09 5.38 0.00 3.44 2.97 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 84 D 7.80 4.39 0.00 2.83 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 85 D 8.25 4.10 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.32 4.76 0.00 1.92 1.86 0.00 1.86 0.00 0.00 2.39 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.33 7.81 87 S 8.84 3.85 0.00 3.60 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 0.00 88 A 8.88 4.46 1.57 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 0.00 0.00 89 Q 7.99 4.13 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 90 I 8.02 3.70 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.86 0.00 0.00 91 Y 7.27 4.50 0.00 3.32 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 92 A 7.90 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.49 4.02 0.00 1.88 2.06 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 94 F 7.00 4.06 0.00 3.08 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 95 D 8.46 4.29 0.00 2.60 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 3.72 0.00 1.69 1.88 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.20 7.81 97 N 7.72 4.45 0.00 2.65 2.41 0.00 0.00 6.91 8.18 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 98 D 8.54 4.25 0.00 2.68 2.84 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 99 W 8.60 4.99 0.00 3.30 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 0.00 100 R 7.33 4.11 0.00 1.94 1.96 0.00 3.74 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 101 I 8.26 4.66 2.02 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 1.46 0.96 1.11 0.00 0.00 102 Q 8.95 4.56 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.80 0.00 0.00 0.00 0.00 0.00 2.94 2.77 0.00 103 P 0.00 4.50 0.00 2.25 2.17 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 104 A 8.17 4.64 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.18 4.22 0.00 2.46 1.82 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 2.25 2.16 0.00 106 F 8.84 5.23 0.00 2.99 3.01 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 0.00 107 Y 7.61 5.78 0.00 3.08 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 0.00 108 R 8.24 4.70 0.00 1.77 1.85 0.00 3.18 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 109 F 9.08 4.61 0.00 3.25 2.97 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 0.00 110 H 8.27 5.03 0.00 3.06 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.57 4.82 0.00 3.34 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 0.00 112 A 8.57 3.63 1.32 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 0.00 0.00 0.00 113 E 8.10 3.91 0.00 2.11 1.91 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 2.40 2.56 0.00 114 V 7.16 3.43 1.40 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 0.30 0.00 0.00 0.84 0.00 0.00 115 N 7.65 4.20 0.00 2.75 2.98 0.00 0.00 7.28 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 0.00 116 T 8.13 3.87 3.84 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 1.03 0.00 0.00 117 F 7.91 4.32 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.59 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.04 4.66 0.00 3.00 2.92 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 0.00 0.00 0.00 0.00 120 F 8.98 4.34 0.00 3.16 3.07 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 * Residues marked with a * may have inaccurate shift predictions.