NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 4.0065 8.0244 120.7843 60.8453 39.2994 174.7685 9 S 4.7510 8.0491 119.8513 55.2807 66.3350 173.0139 10 Y 4.2206 8.9862 126.9012 60.6112 39.0002 177.2150 11 A 4.0812 8.2213 120.9298 54.4388 18.5282 179.2157 12 A 3.9348 7.7641 119.3126 55.2740 18.6815 179.0823 13 Y 3.9417 7.9100 113.8991 60.4806 38.2299 178.0573 14 L 4.3218 7.2583 118.6528 56.0348 42.3236 178.1840 15 N 4.2173 7.7044 116.4855 56.6765 39.3106 176.4167 16 V 3.6731 7.5982 119.2299 66.2828 31.3817 177.8468 17 A 3.9928 7.9726 119.4131 55.1143 18.0588 179.2534 18 A 3.9874 7.6209 117.7543 54.8243 18.4468 179.1687 19 Q 4.0487 7.6780 117.0801 58.8518 29.4466 177.5375 20 A 4.1766 7.7110 122.1311 54.6984 18.1722 178.1992 21 I 4.1423 7.7217 119.2218 62.6367 38.4295 177.3658 22 R 4.2911 7.7422 119.5348 56.6781 29.8679 180.1070 23 S 4.1242 7.8375 116.1363 59.8611 60.5437 179.5353 *28 E 4.3411 7.8132 121.9338 53.3714 32.6873 174.3515 29 L 4.7560 7.5377 120.9325 54.0139 41.6202 179.0221 30 Q 4.5620 7.3071 116.9773 53.6787 29.3810 178.4176 31 T 4.1447 7.7151 121.5831 62.5127 67.2219 174.4180 *33 S 4.3699 8.6491 111.3619 58.6713 64.5938 175.9882 34 V 3.5738 7.6348 119.0945 65.7331 31.4824 177.4479 35 L 3.8359 7.9111 122.7320 57.2697 42.2693 178.6954 36 N 4.5317 8.1941 117.3498 54.9685 37.6705 181.7077 37 R 4.5586 7.2455 112.7238 56.6015 30.2452 182.3953 38 S 4.3554 7.4626 110.2996 61.8784 63.3024 174.1646 39 Q 4.5920 7.5518 117.0593 55.1925 32.6186 173.0340 40 T 4.5231 8.0073 112.5127 61.1399 70.4718 172.8048 41 D 4.6755 8.5743 125.8423 52.6533 41.9292 175.8387 42 A 4.7734 7.9797 125.5467 49.9824 22.6271 174.4667 43 F 5.0233 8.9012 120.1108 55.8881 41.7623 173.9828 44 Y 4.8470 8.2860 122.6170 56.2352 40.4377 175.4082 45 T 4.6971 8.4764 117.5431 62.1923 72.1040 173.6422 46 Q 4.4636 8.8643 125.8114 56.7391 30.2705 175.0255 47 Y 5.0418 8.4233 118.4171 57.5135 42.5238 175.0694 48 K 4.7135 9.5151 126.9264 53.4257 37.1011 175.0692 49 N 4.3569 8.7034 116.5577 53.3372 37.3252 171.8860 *53 A 4.5503 7.6865 125.9694 52.1854 20.4005 177.7915 54 S 4.5609 8.1298 120.4570 59.9042 64.0395 173.7955 55 E 4.7072 7.9583 114.6248 56.3678 33.0632 173.6351 56 P 4.4640 0.0000 0.0000 61.3057 32.6710 176.3197 57 T 3.7347 8.2713 117.6203 63.4809 68.6140 172.5557 58 P 4.4893 0.0000 0.0000 62.7054 31.7394 175.9741 59 I 4.3318 7.5521 125.5214 59.8340 40.1837 175.0622 60 T 4.3562 8.1482 120.5286 61.0115 69.0386 175.3240 61 K 4.4173 7.9691 124.5521 54.8843 31.7324 177.0377 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 8 I 8.02 4.01 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.15 0.99 0.00 0.00 9 S 8.05 4.75 0.00 3.99 3.68 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 0.00 0.00 0.00 0.00 10 Y 8.99 4.22 0.00 3.16 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 11 A 8.22 4.08 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 12 A 7.76 3.93 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 13 Y 7.91 3.94 0.00 2.87 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 14 L 7.26 4.32 0.00 1.73 1.61 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.70 4.22 0.00 2.83 2.94 0.00 0.00 7.13 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.60 3.67 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 0.91 0.00 0.00 0.87 0.00 0.00 17 A 7.97 3.99 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 18 A 7.62 3.99 1.33 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 0.00 0.00 19 Q 7.68 4.05 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 20 A 7.71 4.18 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 21 I 7.72 4.14 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 1.49 0.82 0.91 0.00 0.00 22 R 7.74 4.29 0.00 1.84 1.81 0.00 3.27 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 23 S 7.84 4.12 0.00 3.62 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 4.34 0.00 2.01 1.81 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 2.13 1.91 0.00 29 L 7.54 4.76 0.00 1.60 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.31 4.56 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 31 T 7.72 4.14 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 *33 S 8.65 4.37 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.63 3.57 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 0.93 0.00 0.00 35 L 7.91 3.84 0.00 1.93 1.63 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.19 4.53 0.00 2.80 2.72 0.00 0.00 6.80 7.18 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 37 R 7.25 4.56 0.00 1.67 1.84 0.00 3.24 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 38 S 7.46 4.36 0.00 4.01 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 39 Q 7.55 4.59 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 40 T 8.01 4.52 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 1.19 0.00 0.00 41 D 8.57 4.68 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 42 A 7.98 4.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.90 5.02 0.00 2.89 2.88 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 44 Y 8.29 4.85 0.00 3.10 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 45 T 8.48 4.70 4.33 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 1.06 0.00 0.00 46 Q 8.86 4.46 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 47 Y 8.42 5.04 0.00 2.82 2.82 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 48 K 9.52 4.71 0.00 1.34 1.62 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.23 7.81 49 N 8.70 4.36 0.00 2.63 2.82 0.00 0.00 6.41 7.15 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 *53 A 7.69 4.55 1.48 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 54 S 8.13 4.56 0.00 3.51 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 55 E 7.96 4.71 0.00 1.70 1.70 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 2.14 1.74 0.00 56 P 0.00 4.46 0.00 1.90 2.02 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 57 T 8.27 3.73 4.20 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 1.16 0.00 0.00 58 P 0.00 4.49 0.00 1.85 1.96 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 59 I 7.55 4.33 1.34 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 1.05 1.68 0.86 0.00 0.00 60 T 8.15 4.36 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 1.12 0.00 0.00 61 K 7.97 4.42 0.00 1.84 1.56 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.