NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1673 7.9829 118.5496 60.0909 37.9483 178.3987 3 D 4.3882 8.1960 122.2495 57.5472 39.8412 178.7992 4 T 4.5383 8.1406 114.4890 64.2173 69.5576 179.2783 5 A 4.3249 7.7641 120.9173 55.6239 18.6723 179.3893 6 A 4.0830 8.0329 121.1310 55.3364 18.3190 180.6541 7 K 4.0735 8.1263 124.8477 60.4688 31.6069 184.5776 *8 F 4.3668 8.0976 123.4730 62.4867 37.8513 180.5572 9 I 4.0297 7.7042 119.9874 64.0076 34.8800 179.9380 10 G 3.9791 7.9783 104.1179 46.9597 0.0000 175.9193 11 A 3.9765 7.7327 122.4890 54.9599 18.6223 179.6202 12 G 3.6447 7.7887 103.7905 47.6981 0.0000 175.8956 13 A 4.0508 7.4743 122.1853 54.4168 18.3928 178.7951 14 A 4.3299 7.7358 120.4131 54.2928 18.8611 179.5555 15 T 4.1122 7.5139 110.8567 62.6670 69.2234 182.2342 16 V 3.9778 7.7103 116.5127 62.8468 32.1005 182.9208 17 G 4.0041 7.7172 108.5487 47.5244 0.0000 175.3089 18 V 4.1451 7.5983 115.9398 60.6128 30.6243 181.8509 19 A 4.3062 7.6931 121.8376 54.8182 18.5295 180.0075 20 G 3.9804 8.0629 106.3406 47.8435 0.0000 176.7823 21 S 4.5851 7.4674 121.8148 62.1131 61.6812 179.4940 22 G 3.8543 7.8820 106.8425 46.6520 0.0000 175.1011 23 A 4.6184 7.4950 121.2091 53.4525 19.3850 179.2357 24 G 3.7030 8.0714 106.2929 47.9200 0.0000 176.3154 25 I 4.1127 7.6304 122.1416 64.0475 35.7848 182.9830 26 G 3.9670 7.6145 104.0212 48.1418 0.0000 176.5230 27 T 4.2678 7.8560 118.6664 66.0895 68.4576 183.1023 28 V 3.9564 7.6532 124.1302 66.3516 31.6392 181.1055 *29 F 4.3131 8.0216 120.4785 60.4953 37.8884 180.5908 30 G 3.8092 7.7509 105.8134 49.1194 0.0000 176.3335 31 S 4.5145 8.3521 122.0121 61.5817 62.2299 177.7973 32 L 4.7928 7.5092 126.7085 59.4692 40.6636 184.6692 33 I 3.9740 7.7064 118.2279 63.0344 35.6708 181.7439 34 I 4.3255 8.0410 115.4577 60.0707 35.4547 180.3320 35 G 4.1580 7.4715 106.3957 46.5769 0.0000 174.9915 *36 Y 4.4304 7.6101 122.0382 59.8491 37.7128 183.0619 37 A 4.3401 7.4531 118.6167 56.0543 18.5094 180.1997 38 R 4.0175 8.1033 120.4274 59.1045 29.7834 181.1555 39 N 4.6014 7.4368 117.8243 52.2504 37.4694 177.4922 40 P 4.9205 0.0000 0.0000 63.5952 33.6360 177.0793 41 S 4.5839 7.8842 117.0662 59.0560 60.1954 180.7200 42 L 4.0359 7.8745 130.6204 57.7345 41.6104 179.6543 43 K 4.2010 7.9345 122.8703 55.5770 32.2855 179.8503 44 Q 3.6072 9.1346 125.6101 54.7105 26.6836 169.5530 45 Q 3.7830 8.1141 116.2717 57.7217 26.8456 175.5903 46 L 4.4340 7.6700 121.6794 59.6717 41.5866 181.8133 *47 F 4.5579 7.6073 122.2500 61.0917 38.7507 180.0185 48 S 4.6590 8.1577 118.9792 63.8634 62.4227 180.9481 *49 Y 4.6416 7.4759 120.4081 59.4423 36.7630 181.2236 50 A 4.3112 7.7679 125.1498 56.7280 18.2511 180.3606 51 I 3.9752 7.8269 120.2113 64.9433 35.5799 180.6533 52 L 4.2395 7.2385 118.7249 58.3926 39.7707 183.0272 53 G 4.2091 8.1225 105.0022 46.6962 0.0000 175.5380 *54 F 4.5299 7.7600 121.0324 59.0243 38.1808 182.0262 55 A 4.4167 7.5973 123.5843 55.8498 19.2261 180.0938 56 L 4.3083 7.9761 120.8271 58.9656 41.6916 180.9874 57 S 4.8100 7.7145 116.6127 62.6545 62.8570 181.3019 58 E 4.6984 7.6203 117.4594 58.8568 30.0067 182.5289 59 A 4.2674 7.7864 122.5975 56.4728 18.4716 180.2499 60 M 4.2840 8.0524 113.5982 56.5717 32.2790 182.9681 61 G 3.8134 8.0890 106.2146 48.5643 0.0000 176.4366 62 L 4.3853 8.1250 126.6445 59.0474 40.4720 181.6067 *63 F 4.7721 7.8057 120.5123 62.6577 38.0173 183.5629 64 C 4.5011 7.8288 120.3912 63.4151 28.0135 178.8576 65 L 4.6155 8.5478 125.6570 58.3455 40.5049 181.1221 66 M 4.5562 7.5790 122.3093 60.4406 30.1516 184.4636 67 V 4.0163 7.4850 117.5904 64.9845 31.7170 181.4215 68 A 4.6735 7.7456 120.4254 55.6898 18.9165 179.7649 *69 F 4.3213 7.8680 120.2107 61.9150 37.9878 182.0523 70 L 4.2509 7.7165 119.6818 57.7445 40.8601 182.4996 71 I 4.2386 7.2774 115.1082 61.0263 35.6401 180.6966 72 L 4.6922 7.7845 121.1069 55.8694 43.2345 182.1640 *73 F 4.4211 8.0035 119.5294 57.2516 39.0266 178.9731 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 2 I 7.98 4.17 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 1.27 0.64 0.91 0.00 0.00 3 D 8.20 4.39 0.00 2.85 2.61 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 4 T 8.14 4.54 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 1.21 0.00 0.00 5 A 7.76 4.32 1.34 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 0.00 0.00 0.00 6 A 8.03 4.08 1.38 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 0.00 0.00 7 K 8.13 4.07 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *8 F 8.10 4.37 0.00 2.28 2.32 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 9 I 7.70 4.03 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 1.45 0.54 0.91 0.00 0.00 10 G 7.98 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 0.00 0.00 0.00 11 A 7.73 3.98 1.42 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 0.00 0.00 12 G 7.79 3.64 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 0.00 0.00 0.00 13 A 7.47 4.05 1.38 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 0.00 0.00 14 A 7.74 4.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.11 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 1.21 0.00 0.00 16 V 7.71 3.98 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 0.70 0.00 0.00 0.93 0.00 0.00 17 G 7.72 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 0.00 0.00 0.00 0.00 18 V 7.60 4.15 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 0.77 0.00 0.00 0.93 0.00 0.00 19 A 7.69 4.31 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 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 0.00 0.00 0.00 21 S 7.47 4.59 0.00 3.75 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 22 G 7.88 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 0.00 0.00 0.00 23 A 7.49 4.62 1.35 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 24 G 8.07 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 25 I 7.63 4.11 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 1.45 0.72 0.91 0.00 0.00 26 G 7.61 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 0.00 0.00 0.00 27 T 7.86 4.27 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 1.21 0.00 0.00 28 V 7.65 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 0.71 0.00 0.00 0.93 0.00 0.00 *29 F 8.02 4.31 0.00 2.23 2.32 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 30 G 7.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.35 4.51 0.00 3.76 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 32 L 7.51 4.79 0.00 1.63 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.71 3.97 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 1.16 0.54 0.91 0.00 0.00 34 I 8.04 4.33 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 1.23 1.16 0.91 0.00 0.00 35 G 7.47 4.16 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 0.00 0.00 0.00 *36 Y 7.61 4.43 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.45 4.34 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 38 R 8.10 4.02 0.00 1.92 1.86 0.00 3.39 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 39 N 7.44 4.60 0.00 2.87 2.74 0.00 0.00 6.66 8.95 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 40 P 0.00 4.92 0.00 2.03 1.92 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 41 S 7.88 4.58 0.00 3.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.87 4.04 0.00 1.56 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.93 4.20 0.00 1.77 1.63 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.00 7.81 44 Q 9.13 3.61 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.14 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 45 Q 8.11 3.78 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.97 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 46 L 7.67 4.43 0.00 1.67 1.68 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *47 F 7.61 4.56 0.00 2.31 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 0.00 0.00 0.00 0.00 48 S 8.16 4.66 0.00 3.73 3.89 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 0.00 0.00 0.00 *49 Y 7.48 4.64 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.77 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.98 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 1.50 0.70 0.91 0.00 0.00 52 L 7.24 4.24 0.00 1.79 1.60 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.12 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 0.00 0.00 0.00 0.00 *54 F 7.76 4.53 0.00 2.25 2.27 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 55 A 7.60 4.42 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.31 0.00 1.76 1.59 0.92 0.74 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 57 S 7.71 4.81 0.00 3.69 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 58 E 7.62 4.70 0.00 1.78 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 2.19 2.18 0.00 59 A 7.79 4.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.05 4.28 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.10 0.00 61 G 8.09 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.13 4.39 0.00 1.69 1.69 0.92 1.17 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 *63 F 7.81 4.77 0.00 2.40 2.31 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 64 C 7.83 4.50 0.00 2.87 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 65 L 8.55 4.62 0.00 1.61 1.69 0.92 0.90 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 66 M 7.58 4.56 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 67 V 7.48 4.02 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 0.74 0.00 0.00 0.93 0.00 0.00 68 A 7.75 4.67 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.87 4.32 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.25 0.00 1.62 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.28 4.24 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 1.16 1.12 0.91 0.00 0.00 72 L 7.78 4.69 0.00 1.63 1.57 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *73 F 8.00 4.42 0.00 2.25 1.99 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 * Residues marked with a * may have inaccurate shift predictions.