NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 A 4.0553 8.1233 122.4575 52.0127 20.8270 175.7389 *103 D 4.5575 8.5431 118.5946 54.5395 40.8219 176.1471 104 C 4.5206 8.6921 120.5189 59.4879 41.9363 173.8811 105 A 4.7609 7.3812 117.9798 50.7157 22.5603 175.2104 106 K 4.7787 8.1442 119.9221 53.7155 35.6387 176.7475 107 G 3.8645 7.5319 112.9410 45.5694 0.0000 171.5372 108 K 4.5443 7.9572 118.5750 55.8541 32.8401 176.8915 109 I 4.1049 8.0747 122.6407 60.8527 37.4202 175.7394 110 E 4.2792 9.1056 128.6797 58.9996 30.0334 176.6031 111 F 5.0792 7.2980 111.7238 56.1398 40.8777 172.7818 112 S 5.2162 8.9151 113.5711 56.7317 66.6322 173.1483 113 K 4.5368 8.5450 121.5444 55.2597 35.7353 173.9635 114 Y 4.7826 8.7765 129.0221 56.7785 39.7020 174.6660 115 N 4.8493 8.5758 124.5454 51.6674 40.3522 175.8460 116 E 4.0071 8.7346 121.1686 59.5142 29.7528 177.5206 117 D 4.5158 7.9084 114.7664 53.5233 39.4860 176.1874 118 N 4.0419 8.0908 115.9877 54.0870 36.5883 174.1286 119 T 4.6119 7.7965 109.5490 60.7619 71.4721 173.1404 120 F 5.2284 9.2055 124.1018 56.7250 42.5459 173.7865 121 T 5.3298 8.5340 122.2066 61.9737 71.7156 173.5808 122 V 4.7660 8.9991 117.6782 59.4062 36.4846 174.2827 123 K 4.7299 8.1379 124.8581 54.5897 34.3958 175.0222 124 V 4.4904 8.4501 127.1084 61.5563 34.9055 175.5694 125 S 3.5721 9.6489 123.7229 59.7782 60.1870 173.6197 126 G 3.9534 8.3485 105.8858 45.7353 0.0000 173.8484 127 R 4.6172 7.7429 118.7697 54.2850 33.4288 174.6930 128 E 4.9417 8.2098 121.1804 55.2027 31.9376 174.7971 129 Y 5.2519 8.9474 120.1177 56.0953 42.8637 174.2203 130 W 5.7265 8.7374 118.5378 55.2414 32.1461 173.9767 131 T 4.5214 9.1710 114.5989 60.2670 70.5331 173.6578 132 N 5.1253 8.6267 122.6263 52.5743 37.9072 174.5815 133 R 4.2413 7.7252 119.7292 55.3788 30.5757 177.0358 134 W 4.0538 9.0080 133.6688 60.6253 29.3625 177.4330 135 N 3.1400 7.9653 115.5922 55.6934 37.7618 177.1213 136 L 4.0962 7.3585 120.4802 57.4358 41.6241 178.7281 137 Q 3.0584 7.2880 117.9503 58.6691 28.6013 177.7132 138 P 4.1636 0.0000 0.0000 65.6893 31.2966 178.4564 139 L 3.7113 7.0696 116.2932 57.6820 41.6110 179.4017 140 L 4.2481 8.7038 119.7378 57.9907 41.4697 179.4948 141 Q 4.1617 8.2399 119.5459 59.1588 28.9416 178.4172 142 S 4.0809 8.1354 116.1203 61.5376 62.9229 176.2901 143 A 4.0447 8.1967 123.5802 55.3601 17.9572 179.5622 144 Q 3.9537 8.2275 117.9041 59.2735 28.9874 178.0499 145 L 4.0114 8.0956 120.7405 57.9682 42.2560 178.2379 146 T 4.3479 8.1158 107.2331 61.1001 69.4030 174.8273 147 G 3.8236 7.7069 109.8696 46.9561 0.0000 173.9366 148 M 4.4095 7.9672 118.2815 55.2444 33.2781 176.1828 149 T 4.6080 8.3774 116.9785 62.5651 70.5871 174.4401 150 V 4.7224 8.6522 119.4661 59.6923 35.6954 174.8595 151 T 4.6349 8.3697 120.4156 61.7689 71.2981 173.3827 152 I 3.8561 8.0850 128.6110 60.4782 38.3709 175.0694 153 I 4.7778 7.8054 128.2689 59.6656 38.9910 174.9424 154 S 4.4559 8.3785 120.5203 57.7799 65.4298 174.2692 155 N 4.5113 8.8849 119.6907 54.7874 38.7217 175.8576 156 T 4.5523 7.8097 107.9512 60.1713 70.3010 174.4305 157 C 4.9494 8.7418 122.7066 56.3913 35.7560 174.2195 158 S 4.3906 7.8030 115.6957 57.5098 63.4288 173.5364 159 S 3.6992 8.3723 116.8239 60.4495 62.2599 174.6515 160 G 4.0384 9.2843 116.4797 45.1971 0.0000 173.5678 161 S 4.6667 7.6822 115.9418 57.9173 64.5009 173.9970 162 G 2.9971 8.3128 109.1359 45.3818 0.0000 172.7951 163 F 4.9644 7.5550 114.1273 55.4371 40.9675 174.3972 164 A 4.3707 8.3546 120.1332 51.9253 20.7577 175.2756 165 E 4.8855 8.2094 118.9983 55.4059 33.0814 174.7107 166 V 4.8018 8.2974 124.7054 60.4842 34.5309 172.9420 167 Q 4.5026 8.5367 124.9171 54.4119 31.2327 173.8540 168 F 5.2508 8.7829 124.5337 55.8363 41.1138 175.3725 169 N 4.7139 9.0037 120.5669 53.4058 38.7723 174.3619 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 4.06 1.28 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 0.00 0.00 0.00 *103 D 8.54 4.56 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 8.69 4.52 0.00 2.53 3.03 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 0.00 0.00 0.00 105 A 7.38 4.76 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 8.14 4.78 0.00 1.71 1.58 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.29 7.81 107 G 7.53 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 7.96 4.54 0.00 1.76 1.76 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 109 I 8.07 4.10 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 0.95 0.00 0.00 110 E 9.11 4.28 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 111 F 7.30 5.08 0.00 3.07 3.11 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 0.00 112 S 8.92 5.22 0.00 3.61 3.95 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 0.00 113 K 8.54 4.54 0.00 1.88 1.67 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.40 7.81 114 Y 8.78 4.78 0.00 3.38 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 8.58 4.85 0.00 2.89 2.63 0.00 0.00 6.19 8.22 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 0.00 116 E 8.73 4.01 0.00 1.96 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 2.31 2.35 0.00 117 D 7.91 4.52 0.00 2.74 2.68 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 0.00 118 N 8.09 4.04 0.00 2.94 3.08 0.00 0.00 6.87 7.05 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 0.00 119 T 7.80 4.61 4.57 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 1.20 0.00 0.00 120 F 9.21 5.23 0.00 3.12 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 0.00 121 T 8.53 5.33 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 1.35 0.00 0.00 122 V 9.00 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 0.91 0.00 0.00 0.98 0.00 0.00 123 K 8.14 4.73 0.00 0.79 0.85 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.14 1.23 7.81 124 V 8.45 4.49 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 0.82 0.00 0.00 0.82 0.00 0.00 125 S 9.65 3.57 0.00 4.04 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 0.00 126 G 8.35 3.95 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 0.00 0.00 0.00 127 R 7.74 4.62 0.00 1.80 1.42 0.00 3.21 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 1.47 1.55 0.00 128 E 8.21 4.94 0.00 1.87 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 2.21 0.00 129 Y 8.95 5.25 0.00 2.78 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 0.00 130 W 8.74 5.73 0.00 3.61 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 9.17 4.52 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 1.11 0.00 0.00 132 N 8.63 5.13 0.00 2.94 3.12 0.00 0.00 6.11 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 7.73 4.24 0.00 1.77 1.85 0.00 3.29 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 134 W 9.01 4.05 0.00 3.52 3.35 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 0.00 135 N 7.97 3.14 0.00 2.63 2.54 0.00 0.00 7.14 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 7.36 4.10 0.00 1.67 1.69 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.29 3.06 0.00 1.79 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.59 2.08 0.00 138 P 0.00 4.16 0.00 2.13 2.23 0.00 3.21 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 139 L 7.07 3.71 0.00 1.81 1.43 0.83 0.32 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 0.00 140 L 8.70 4.25 0.00 1.77 2.04 1.29 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.24 4.16 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 142 S 8.14 4.08 0.00 3.97 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 0.00 143 A 8.20 4.04 1.66 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 0.00 0.00 144 Q 8.23 3.95 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 145 L 8.10 4.01 0.00 1.82 1.89 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.12 4.35 4.25 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 1.27 0.00 0.00 147 G 7.71 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 0.00 0.00 0.00 0.00 148 M 7.97 4.41 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 149 T 8.38 4.61 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 1.17 0.00 0.00 150 V 8.65 4.72 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.79 0.00 0.00 151 T 8.37 4.63 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 8.09 3.86 1.01 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.61 -0.45 0.00 0.00 153 I 7.81 4.78 1.93 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 0.59 0.94 0.00 0.00 154 S 8.38 4.46 0.00 3.82 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 8.88 4.51 0.00 2.75 2.85 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 7.81 4.55 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 1.24 0.00 0.00 157 C 8.74 4.95 0.00 3.01 3.22 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 0.00 158 S 7.80 4.39 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 8.37 3.70 0.00 3.71 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 9.28 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.68 4.67 0.00 3.97 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 8.31 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 0.00 0.00 0.00 163 F 7.56 4.96 0.00 2.99 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 8.35 4.37 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 0.00 165 E 8.21 4.89 0.00 1.99 1.84 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 2.23 2.27 0.00 166 V 8.30 4.80 1.92 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 0.66 0.00 0.00 0.25 0.00 0.00 167 Q 8.54 4.50 0.00 2.05 1.83 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 2.21 2.29 0.00 168 F 8.78 5.25 0.00 2.88 2.91 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 0.00 0.00 0.00 169 N 9.00 4.71 0.00 2.55 2.66 0.00 0.00 6.91 8.10 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 * Residues marked with a * may have inaccurate shift predictions.