NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 A 4.0476 8.1233 122.4569 52.0203 20.8121 175.7138 *103 D 4.6828 8.5438 118.6553 54.5365 40.7554 176.0304 104 C 4.5130 8.8371 120.8328 59.4833 39.9041 173.7218 105 A 4.7486 7.3810 117.8164 50.7494 22.7344 175.4325 106 K 4.6940 7.7282 119.5999 54.2882 35.5235 176.3417 107 G 3.8754 7.6704 113.7495 45.5605 0.0000 171.5416 108 K 4.6174 7.9952 118.4697 55.9864 32.7617 176.7282 109 I 4.1450 8.0159 122.0237 60.9743 37.8895 175.8934 110 E 4.3091 9.3778 128.0808 58.9834 30.1074 176.4231 111 F 5.1471 7.3337 111.9609 56.0178 41.0198 172.8858 112 S 5.2466 8.8537 113.4800 56.7350 66.5210 173.1594 113 K 4.5298 8.4119 121.8730 55.2285 35.7730 174.0020 114 Y 4.7900 8.7635 128.8661 56.7309 39.7831 174.4471 115 N 4.8540 8.3636 124.3308 51.4176 40.5009 175.7191 116 E 4.0854 8.7846 121.7355 59.5185 29.7120 177.5269 117 D 4.5673 7.8900 115.0272 53.3768 39.4806 176.2325 118 N 3.9779 8.3107 116.0698 54.0866 36.6355 174.0852 119 T 4.2104 7.5633 110.0081 60.4688 71.7620 173.1410 120 F 5.1374 9.0702 123.3664 56.7667 42.5733 173.3517 121 T 5.3358 8.6453 122.8009 62.0539 71.1444 173.9259 122 V 4.7714 9.0617 117.9920 59.3659 36.4392 174.4247 123 K 4.6401 8.1966 124.7405 54.6325 34.2569 174.9702 124 V 4.4384 8.5286 127.6614 61.4663 34.6765 175.6727 125 S 3.8401 9.5683 123.6417 59.7855 60.1432 173.5681 126 G 3.9409 8.2449 105.3204 45.8169 0.0000 173.5698 127 R 4.6021 7.7270 118.6944 54.2722 33.5727 174.6740 128 E 4.9459 8.1418 120.9848 55.2133 31.9858 174.8103 129 Y 5.4308 8.9856 120.1988 56.1686 42.9364 174.1728 130 W 5.6735 8.7671 118.5883 55.2223 32.1160 173.9997 131 T 4.5016 8.9567 114.4215 60.1843 70.5294 173.5834 132 N 4.6606 8.5200 123.1903 52.5345 37.9210 174.9669 133 R 4.3175 7.3097 119.2887 54.8389 30.0753 176.9776 134 W 4.1806 8.7669 124.5632 59.8643 28.0667 178.6592 135 N 4.4496 8.4652 115.1448 56.3626 38.3204 177.1456 136 L 4.3303 8.0126 118.0566 57.3932 41.5038 178.9862 137 Q 3.1362 7.6802 118.4850 58.5627 28.6319 177.5965 138 P 4.2234 0.0000 0.0000 65.8043 31.4174 178.3605 139 L 3.8459 7.3824 118.2244 57.5040 41.5029 179.4593 140 L 4.2953 8.7721 119.5559 58.0112 41.6631 179.3847 141 Q 4.1654 8.3494 119.5534 59.2911 29.0378 178.4426 142 S 4.1395 8.3661 116.1051 61.4357 62.8766 176.2766 143 A 4.0697 8.0937 123.5016 55.4033 17.9677 179.4770 144 Q 3.9816 8.2803 117.8453 59.4861 28.9957 178.5030 145 L 4.2556 8.0802 118.6181 56.7692 41.7590 178.3506 146 T 4.5055 7.7266 107.4567 60.4305 69.4628 174.4828 147 G 3.8511 7.7338 108.1015 47.1394 0.0000 174.1339 148 M 4.4203 8.0112 118.2112 55.1291 33.3214 176.3373 149 T 4.5392 8.4112 117.4388 62.7915 70.2980 174.3710 150 V 4.6751 8.5865 119.9533 59.7799 35.1184 175.1199 151 T 4.6064 8.1067 119.7254 61.7472 71.6132 173.3123 152 I 3.7372 8.0325 128.7308 60.5080 38.2274 175.0752 153 I 4.8147 7.8477 128.6702 59.6702 38.8196 175.0805 154 S 4.4170 8.4791 120.6762 57.9793 65.4612 173.7827 155 N 4.5029 8.8352 118.4491 54.5280 38.8613 175.7437 156 T 4.4753 7.7621 108.1378 60.3489 69.8299 174.4057 157 C 4.8858 8.7361 123.1187 56.3958 35.3677 174.1006 158 S 4.4523 7.7560 115.7787 57.3567 63.5746 173.5369 159 S 3.7951 8.4038 117.1614 60.3474 62.2404 174.5265 160 G 4.0961 8.8702 115.8780 45.0765 0.0000 173.7868 161 S 4.6024 7.8783 115.9585 58.1153 64.3029 174.0805 162 G 2.9050 8.2675 109.4616 45.4930 0.0000 172.7871 163 F 4.9842 7.6350 114.6990 55.3065 41.0389 174.2807 164 A 4.3918 8.4266 119.8763 51.7130 20.8439 175.2906 165 E 4.9082 8.2186 118.6842 55.1999 33.0422 174.6515 166 V 4.8412 8.3741 124.7241 60.3811 34.6811 173.2757 167 Q 4.6131 8.4371 123.9377 54.3128 31.8938 173.9256 168 F 5.2356 8.8198 123.5852 55.7429 41.3770 175.1619 169 N 4.7106 9.0998 120.9335 53.3312 38.4184 174.6024 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 101 A 8.12 4.05 1.29 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 0.00 0.00 *103 D 8.54 4.68 0.00 2.52 2.62 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 0.00 104 C 8.84 4.51 0.00 2.47 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 0.00 105 A 7.38 4.75 1.11 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 0.00 106 K 7.73 4.69 0.00 1.72 1.59 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.30 7.81 107 G 7.67 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 0.00 0.00 0.00 108 K 8.00 4.62 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 109 I 8.02 4.15 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.98 0.00 0.00 110 E 9.38 4.31 0.00 1.95 1.85 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 2.42 2.29 0.00 111 F 7.33 5.15 0.00 3.08 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 0.00 112 S 8.85 5.25 0.00 3.45 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 0.00 113 K 8.41 4.53 0.00 1.88 1.64 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.38 7.81 114 Y 8.76 4.79 0.00 3.36 2.98 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 0.00 115 N 8.36 4.85 0.00 2.79 2.57 0.00 0.00 6.19 7.33 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 0.00 116 E 8.78 4.09 0.00 1.95 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 2.32 2.37 0.00 117 D 7.89 4.57 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 3.98 0.00 3.08 3.20 0.00 0.00 6.86 7.30 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 0.00 119 T 7.56 4.21 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 120 F 9.07 5.14 0.00 2.87 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 0.00 121 T 8.65 5.34 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 0.00 122 V 9.06 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 0.87 0.00 0.00 1.06 0.00 0.00 123 K 8.20 4.64 0.00 0.79 0.82 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 1.21 7.81 124 V 8.53 4.44 2.04 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 0.88 0.00 0.00 0.82 0.00 0.00 125 S 9.57 3.84 0.00 4.04 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 0.00 126 G 8.24 3.94 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 0.00 0.00 0.00 127 R 7.73 4.60 0.00 1.78 1.35 0.00 3.10 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 128 E 8.14 4.95 0.00 1.84 1.79 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 2.10 2.19 0.00 129 Y 8.99 5.43 0.00 2.71 2.89 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 0.00 130 W 8.77 5.67 0.00 3.48 3.17 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 0.00 131 T 8.96 4.50 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 1.10 0.00 0.00 132 N 8.52 4.66 0.00 2.83 3.00 0.00 0.00 6.06 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 0.00 133 R 7.31 4.32 0.00 1.75 1.90 0.00 3.08 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 134 W 8.77 4.18 0.00 3.50 3.43 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 0.00 135 N 8.47 4.45 0.00 2.87 2.91 0.00 0.00 7.15 6.74 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 0.00 136 L 8.01 4.33 0.00 1.88 1.79 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.68 3.14 0.00 2.15 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 1.39 2.04 0.00 138 P 0.00 4.22 0.00 2.23 2.29 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 139 L 7.38 3.85 0.00 1.93 1.39 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.77 4.30 0.00 2.01 2.09 1.34 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.35 4.17 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 142 S 8.37 4.14 0.00 3.99 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 0.00 143 A 8.09 4.07 1.68 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 0.00 0.00 144 Q 8.28 3.98 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 145 L 8.08 4.26 0.00 1.83 1.75 1.00 0.69 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 0.00 146 T 7.73 4.51 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 147 G 7.73 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 0.00 148 M 8.01 4.42 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 149 T 8.41 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 1.17 0.00 0.00 150 V 8.59 4.68 1.74 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 0.74 0.00 0.00 0.84 0.00 0.00 151 T 8.11 4.61 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 1.10 0.00 0.00 152 I 8.03 3.74 1.03 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 0.72 0.42 -0.42 0.00 0.00 153 I 7.85 4.81 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.57 0.92 0.00 0.00 154 S 8.48 4.42 0.00 3.81 3.63 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 0.00 155 N 8.84 4.50 0.00 2.74 2.84 0.00 0.00 6.71 7.54 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 0.00 156 T 7.76 4.48 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 1.23 0.00 0.00 157 C 8.74 4.89 0.00 3.01 3.20 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 0.00 158 S 7.76 4.45 0.00 4.00 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 0.00 159 S 8.40 3.80 0.00 3.68 3.74 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 0.00 0.00 0.00 0.00 160 G 8.87 4.10 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 0.00 0.00 0.00 161 S 7.88 4.60 0.00 4.06 3.90 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 0.00 0.00 0.00 162 G 8.27 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.63 4.98 0.00 2.98 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.43 4.39 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 0.00 0.00 0.00 0.00 0.00 165 E 8.22 4.91 0.00 2.00 1.85 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 2.25 2.29 0.00 166 V 8.37 4.84 1.98 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 0.76 0.00 0.00 0.24 0.00 0.00 167 Q 8.44 4.61 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 168 F 8.82 5.24 0.00 2.90 2.95 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 0.00 0.00 0.00 0.00 169 N 9.10 4.71 0.00 2.65 2.69 0.00 0.00 6.92 7.22 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 * Residues marked with a * may have inaccurate shift predictions.