NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 A 4.0472 8.1233 122.4569 52.0201 20.7519 175.7348 *103 D 4.5324 8.5728 119.2245 54.4779 40.7403 175.8438 104 C 4.5136 8.7893 121.0617 59.6225 41.5861 173.7932 105 A 4.7199 7.3763 117.5295 50.9338 22.4011 175.5190 106 K 4.8163 8.1325 120.2014 53.6382 35.7253 176.7900 107 G 3.8582 7.7129 112.7279 45.6034 0.0000 171.6933 108 K 4.6388 7.9765 118.6872 55.8704 32.9179 176.5653 109 I 4.2073 8.0133 121.9424 60.7051 37.8826 175.8401 110 E 4.2865 9.2621 128.2845 58.9838 30.0530 176.4605 111 F 5.0961 7.2976 111.8516 56.1370 40.9356 172.7186 112 S 5.2144 8.8919 113.4577 56.7672 66.5870 173.1010 113 K 4.5770 8.3797 121.3927 55.2653 35.8270 173.9252 114 Y 4.8835 8.8085 128.7936 56.7711 39.7207 174.5122 115 N 4.9089 8.5142 124.3395 51.4267 40.5508 175.7979 116 E 3.9823 8.7359 121.2573 59.3300 29.7714 177.3773 117 D 4.6060 7.9598 115.6616 53.2593 39.5354 176.3995 118 N 4.1174 8.2997 116.0139 54.0244 36.7070 174.1908 119 T 4.6837 7.8909 109.9184 60.9146 71.5163 173.1927 120 F 5.2990 9.3505 123.6727 56.8031 42.5966 173.4680 121 T 5.4123 8.6244 122.6464 62.0421 71.3094 173.8527 122 V 4.7652 8.9590 117.8456 59.4060 36.4501 174.3123 123 K 4.7093 8.1392 125.2605 54.6475 34.2188 175.0751 124 V 4.4915 8.3858 127.2278 61.4795 34.8248 175.6013 125 S 3.5672 9.5970 124.0830 59.8393 60.0536 173.3833 126 G 3.9442 8.4164 106.1585 45.7276 0.0000 173.9466 127 R 4.6051 7.6718 118.5817 54.2510 33.6038 174.6793 128 E 4.8880 8.2591 121.3727 55.2260 31.9628 174.8009 129 Y 5.4244 8.9040 119.9265 56.1808 42.9367 174.1673 130 W 5.7575 8.8644 118.7098 55.2506 32.1557 173.9708 131 T 4.4715 9.0825 114.4281 60.0934 70.6345 173.5677 132 N 5.1462 8.5361 122.9267 52.6400 37.8046 174.8939 133 R 4.1541 7.7233 119.4756 55.4544 29.3605 177.5538 134 W 4.5623 8.4655 124.5010 59.5882 29.0078 178.7030 135 N 4.4703 8.4173 116.0315 56.3757 37.8822 177.1663 136 L 4.2536 7.8654 120.3079 57.3923 41.6392 179.1497 137 Q 3.3767 7.6628 117.6096 58.5607 28.6944 177.5900 138 P 4.2338 0.0000 0.0000 65.6959 31.4043 178.3568 139 L 3.8741 7.3576 115.5325 57.6208 41.4850 179.4584 140 L 4.3068 8.8854 119.8352 58.0137 41.6296 179.4259 141 Q 4.1530 8.3397 119.5311 59.2351 28.9544 178.4511 142 S 4.1467 8.3184 116.1922 61.3349 62.9468 176.2775 143 A 4.0686 8.2274 123.5904 55.4629 18.0035 179.4999 144 Q 4.0244 8.4702 118.0377 59.2643 28.8556 178.5560 145 L 4.0375 7.8075 119.6666 57.6537 41.8988 178.6443 146 T 4.3407 8.2815 106.9834 61.3561 69.0993 175.0820 147 G 3.8993 7.5728 109.0736 46.8237 0.0000 174.0179 148 M 4.3819 7.7875 118.2635 55.4186 33.0650 175.9515 149 T 4.5915 8.4174 117.1642 62.7130 70.4651 174.4780 150 V 4.6727 8.7904 119.7188 59.7533 35.6405 175.0867 151 T 4.7915 8.0215 119.1447 61.7443 71.6885 173.3274 152 I 3.7890 8.0784 128.7324 60.6033 38.2836 175.2155 153 I 4.8408 7.8109 128.0618 59.6435 39.3180 174.8925 154 S 4.4446 8.3809 120.3032 58.0616 65.4572 174.2209 155 N 4.5328 8.8742 118.9056 54.3315 38.8501 175.7049 156 T 4.5230 7.8069 107.9039 60.2390 70.1765 174.2634 157 C 4.9117 8.7827 122.9248 56.3652 36.3426 174.0178 158 S 4.4417 7.8014 116.0014 57.3848 63.5474 173.4984 159 S 3.7801 8.4471 117.3367 60.4680 62.2298 174.5939 160 G 4.0536 8.9242 115.8208 45.1165 0.0000 173.6208 161 S 4.7029 7.8863 116.0836 57.9392 64.5201 174.0161 162 G 2.8699 8.2922 109.0488 45.4666 0.0000 172.8518 163 F 4.9511 7.4476 114.1349 55.3742 40.9415 174.1869 164 A 4.3898 8.4025 120.6054 51.6485 20.6149 175.1726 165 E 4.8989 8.2857 119.1101 55.4300 32.8384 174.7750 166 V 4.8336 8.4010 124.7700 60.2407 34.9404 173.7193 167 Q 4.6128 8.2976 122.3389 54.2934 32.3113 173.8587 168 F 5.2778 8.9290 123.5722 55.7232 41.4919 175.1644 169 N 4.7205 9.0462 120.5216 53.3720 38.5199 174.4590 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 1.26 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 0.00 0.00 0.00 *103 D 8.57 4.53 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 8.79 4.51 0.00 2.45 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 0.00 105 A 7.38 4.72 1.10 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 0.00 106 K 8.13 4.82 0.00 1.64 1.58 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.30 7.81 107 G 7.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.98 4.64 0.00 1.77 1.76 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 109 I 8.01 4.21 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.96 0.00 0.00 110 E 9.26 4.29 0.00 1.93 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 2.43 2.29 0.00 111 F 7.30 5.10 0.00 3.07 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 8.89 5.21 0.00 3.55 3.92 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 0.00 113 K 8.38 4.58 0.00 1.91 1.67 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.40 7.81 114 Y 8.81 4.88 0.00 3.38 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 0.00 115 N 8.51 4.91 0.00 2.83 2.64 0.00 0.00 6.20 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.74 3.98 0.00 1.96 2.00 0.00 0.00 0.00 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 2.35 0.00 117 D 7.96 4.61 0.00 2.77 2.70 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 0.00 118 N 8.30 4.12 0.00 3.19 3.37 0.00 0.00 6.88 7.73 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 0.00 119 T 7.89 4.68 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 1.24 0.00 0.00 120 F 9.35 5.30 0.00 3.16 3.05 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 0.00 0.00 0.00 0.00 121 T 8.62 5.41 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 1.31 0.00 0.00 122 V 8.96 4.77 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 0.90 0.00 0.00 1.00 0.00 0.00 123 K 8.14 4.71 0.00 0.79 0.87 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.22 7.81 124 V 8.39 4.49 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 0.90 0.00 0.00 0.83 0.00 0.00 125 S 9.60 3.57 0.00 4.07 3.92 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 0.00 126 G 8.42 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 7.67 4.61 0.00 1.80 1.34 0.00 3.23 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 128 E 8.26 4.89 0.00 1.83 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 2.20 0.00 129 Y 8.90 5.42 0.00 2.77 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 0.00 130 W 8.86 5.76 0.00 3.55 3.23 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 0.00 131 T 9.08 4.47 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 1.22 0.00 0.00 132 N 8.54 5.15 0.00 2.81 3.05 0.00 0.00 6.10 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 7.72 4.15 0.00 1.84 1.91 0.00 3.17 0.00 0.00 3.07 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 134 W 8.47 4.56 0.00 3.44 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 0.00 135 N 8.42 4.47 0.00 2.85 2.90 0.00 0.00 7.18 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 7.87 4.25 0.00 1.86 1.88 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.66 3.38 0.00 2.15 1.75 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 1.64 2.32 0.00 138 P 0.00 4.23 0.00 2.22 2.26 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 139 L 7.36 3.87 0.00 1.91 1.47 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.89 4.31 0.00 2.04 2.11 1.41 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.34 4.15 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 142 S 8.32 4.15 0.00 4.02 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 8.23 4.07 1.64 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 0.00 144 Q 8.47 4.02 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 145 L 7.81 4.04 0.00 1.88 1.74 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.28 4.34 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 1.22 0.00 0.00 147 G 7.57 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 0.00 0.00 0.00 148 M 7.79 4.38 0.00 2.08 2.16 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 2.71 2.58 0.00 149 T 8.42 4.59 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 1.20 0.00 0.00 150 V 8.79 4.67 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 0.82 0.00 0.00 0.81 0.00 0.00 151 T 8.02 4.79 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 1.11 0.00 0.00 152 I 8.08 3.79 1.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.20 -0.32 0.00 0.00 153 I 7.81 4.84 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.92 0.00 0.00 154 S 8.38 4.44 0.00 3.82 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.53 0.00 2.74 2.85 0.00 0.00 6.68 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 7.81 4.52 4.29 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 1.23 0.00 0.00 157 C 8.78 4.91 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 7.80 4.44 0.00 4.01 4.01 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 0.00 159 S 8.45 3.78 0.00 3.70 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 0.00 160 G 8.92 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.89 4.70 0.00 4.06 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 0.00 162 G 8.29 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 0.00 0.00 0.00 163 F 7.45 4.95 0.00 3.04 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 0.00 164 A 8.40 4.39 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.29 4.90 0.00 2.00 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 2.25 2.28 0.00 166 V 8.40 4.83 1.95 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 0.80 0.00 0.00 0.23 0.00 0.00 167 Q 8.30 4.61 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 168 F 8.93 5.28 0.00 2.89 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 0.00 169 N 9.05 4.72 0.00 2.67 2.68 0.00 0.00 6.90 8.38 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 * Residues marked with a * may have inaccurate shift predictions.