NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 100 S 5.1927 8.2816 114.8080 58.1432 64.0676 174.2630 *102 L 4.4080 8.2172 120.0495 54.7474 43.0698 174.8888 103 I 5.0402 8.9947 118.0055 59.2471 41.7103 173.8445 104 K 5.1241 8.8084 122.1178 54.6596 35.5038 175.3322 105 V 4.7278 8.6200 124.0259 61.2029 33.8636 174.0679 106 K 5.0011 9.2932 130.6016 55.4914 33.9301 175.9211 107 T 4.6636 8.6518 117.7281 59.8693 71.2265 175.4126 108 L 3.8967 8.6827 123.5074 58.5859 41.9610 178.3051 109 T 3.8607 7.8215 111.0090 63.4717 67.3463 174.2163 110 G 4.0679 8.2098 108.2711 45.0525 0.0000 174.1416 111 K 4.0142 8.1219 121.2399 57.0251 33.4993 175.2737 112 E 5.0540 8.5887 124.3932 54.7036 32.2127 175.3359 113 I 4.2518 8.6318 126.4502 60.4806 38.9424 174.9192 114 E 4.9541 8.6568 125.7117 55.3658 31.2317 175.7854 115 I 4.7184 8.7674 124.4503 59.8869 41.9223 173.6032 116 D 5.1266 8.7321 126.6202 52.5014 40.8306 175.7214 117 I 4.8106 8.1201 120.6227 60.2932 41.9050 173.7385 118 E 4.6286 9.6468 124.0123 53.9501 30.9535 175.7630 119 P 4.2203 0.0000 0.0000 66.1700 31.6978 178.2951 120 T 3.8816 8.3336 113.6782 67.2899 68.6888 173.5492 121 D 4.2334 7.9410 119.3700 53.1810 41.3743 176.2365 122 K 4.7328 8.5510 124.9305 54.9668 33.8195 177.0286 123 V 3.5732 8.5387 126.2153 66.5021 31.4784 178.1439 124 E 3.9182 8.3688 116.9982 59.6384 28.9946 179.2761 125 R 4.0204 8.5329 119.6824 59.2152 30.2353 178.3582 126 I 3.7047 7.6789 119.1354 64.4546 37.1984 178.3784 127 K 4.1979 8.3888 119.3020 59.0524 31.7842 179.4214 128 E 3.9736 7.6781 118.0046 59.4311 29.4513 179.3426 129 R 3.9161 8.3083 118.5146 59.1400 30.0160 179.1521 130 V 3.5720 7.7174 118.0017 66.1605 31.4586 177.6843 131 E 4.4418 8.0379 119.1359 58.0656 29.1677 178.2878 132 E 3.9467 7.7646 118.5170 59.3783 29.6612 178.6751 133 K 4.0696 8.1188 118.9058 58.5594 32.9546 176.9651 134 E 4.5714 8.1673 118.1823 54.9580 31.4548 175.9670 135 G 4.2665 8.2773 106.1092 45.8150 0.0000 174.0026 136 I 4.1046 7.6720 122.0165 58.7985 37.4310 174.2975 137 P 4.7404 0.0000 0.0000 61.4242 32.1149 175.5413 138 P 4.2097 0.0000 0.0000 65.7629 31.5092 178.3684 139 Q 4.0335 8.1757 115.2036 58.5255 28.8217 176.7401 140 Q 4.6122 8.3671 115.6985 55.8990 29.9487 174.8360 141 Q 4.8634 7.8597 118.3030 55.1460 30.6654 175.8311 142 R 4.4821 8.4579 122.0092 54.3928 33.1878 174.1282 143 L 4.9288 8.4111 123.9594 54.0586 43.1783 176.6854 144 I 4.8312 9.1063 123.4042 59.7656 41.1490 173.7637 145 Y 4.6503 8.7445 127.8455 56.2249 42.0961 176.3384 146 S 3.2965 7.3868 117.9867 59.4596 61.8204 170.8694 147 G 4.2226 8.0087 113.7873 46.0388 0.0000 173.2985 148 K 4.4798 8.2670 118.5674 55.2249 33.8651 177.4096 149 Q 4.4877 8.1599 124.3607 55.7305 29.3377 175.0319 *151 N 4.5218 8.5675 119.2645 54.3186 40.1466 175.4207 152 D 4.4386 8.8609 125.2393 57.4983 41.0327 177.8719 153 E 4.4023 8.2977 115.0221 56.3674 30.2151 176.0353 154 K 4.4584 8.0169 119.9995 55.1925 34.1296 175.4952 155 T 4.9226 9.5160 111.1483 59.9460 70.6707 175.6888 156 A 4.1269 8.5147 126.3388 55.6167 18.8568 180.1777 157 A 4.0478 7.8168 118.0218 55.1785 18.5454 178.7663 158 D 4.5056 8.2724 113.4687 55.5919 40.4652 176.2931 159 Y 4.6378 7.3792 114.7087 56.8011 39.5622 175.6739 160 K 3.9455 7.8855 117.7022 57.3456 29.6677 176.6359 161 I 3.5084 7.5607 118.3860 60.9403 37.5151 176.0374 *163 G 3.6393 8.3537 111.5794 46.6487 0.0000 174.1514 164 G 4.0218 8.9171 109.3647 45.2407 0.0000 174.5518 165 S 4.4093 7.5570 115.8478 58.8279 64.1757 173.5373 166 V 4.7780 8.5355 123.3984 61.3558 33.0446 174.5455 167 L 4.7870 9.3453 129.7925 53.8454 43.6655 175.5255 168 H 4.8375 9.0848 121.5118 54.9590 30.4584 174.2729 169 L 4.9191 8.9216 126.6365 53.6259 42.3217 174.9163 170 V 4.3147 8.3837 126.4711 61.2189 33.2902 175.2541 171 L 4.6394 8.4561 126.9024 53.9024 43.2003 176.4429 172 A 4.1006 8.5589 123.2788 52.2342 18.8377 178.9966 173 L 3.9056 8.7442 122.3200 58.2425 41.9461 181.2703 174 R 4.3627 7.9776 115.1531 56.4611 29.5338 177.9630 175 G 4.2795 8.2148 107.8746 45.3245 0.0000 174.8826 176 G 4.3017 7.9062 111.3664 46.3529 0.0000 171.3633 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 100 S 8.28 5.19 0.00 4.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *102 L 8.22 4.41 0.00 1.82 1.62 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.99 5.04 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.90 0.00 0.00 104 K 8.81 5.12 0.00 1.71 1.70 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 105 V 8.62 4.73 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 1.03 0.00 0.00 0.93 0.00 0.00 106 K 9.29 5.00 0.00 1.74 1.44 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 107 T 8.65 4.66 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 0.00 108 L 8.68 3.90 0.00 1.61 1.76 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.82 3.86 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 1.23 0.00 0.00 110 G 8.21 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 0.00 0.00 0.00 0.00 111 K 8.12 4.01 0.00 1.85 1.70 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.49 7.81 112 E 8.59 5.05 0.00 1.83 1.82 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 2.17 2.40 0.00 113 I 8.63 4.25 1.86 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 1.22 0.62 0.91 0.00 0.00 114 E 8.66 4.95 0.00 1.84 1.87 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 2.25 2.32 0.00 115 I 8.77 4.72 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 1.28 0.51 0.91 0.00 0.00 116 D 8.73 5.13 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.12 4.81 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 1.01 0.00 0.00 118 E 9.65 4.63 0.00 1.92 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 2.24 2.39 0.00 119 P 0.00 4.22 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 120 T 8.33 3.88 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 0.00 121 D 7.94 4.23 0.00 2.90 2.57 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 0.00 122 K 8.55 4.73 0.00 1.79 1.66 0.00 2.03 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.56 7.81 123 V 8.54 3.57 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 1.06 0.00 0.00 1.19 0.00 0.00 124 E 8.37 3.92 0.00 2.24 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 2.40 2.34 0.00 125 R 8.53 4.02 0.00 1.89 2.14 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 126 I 7.68 3.70 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.72 0.90 0.00 0.00 127 K 8.39 4.20 0.00 1.94 1.85 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.47 7.81 128 E 7.68 3.97 0.00 2.24 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 2.33 2.56 0.00 129 R 8.31 3.92 0.00 1.79 1.98 0.00 3.30 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 130 V 7.72 3.57 2.34 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 1.11 0.00 0.00 1.04 0.00 0.00 131 E 8.04 4.44 0.00 2.29 2.05 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 2.30 2.20 0.00 132 E 7.76 3.95 0.00 2.19 1.97 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 2.61 2.45 0.00 133 K 8.12 4.07 0.00 1.73 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.52 7.81 134 E 8.17 4.57 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 2.37 0.00 135 G 8.28 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 0.00 0.00 0.00 0.00 136 I 7.67 4.10 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 1.47 0.60 0.91 0.00 0.00 137 P 0.00 4.74 0.00 2.21 2.18 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 138 P 0.00 4.21 0.00 2.19 2.18 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 139 Q 8.18 4.03 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.40 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 140 Q 8.37 4.61 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 141 Q 7.86 4.86 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 142 R 8.46 4.48 0.00 1.90 1.82 0.00 3.11 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 143 L 8.41 4.93 0.00 1.47 1.55 0.90 0.82 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 0.00 144 I 9.11 4.83 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.91 0.00 0.00 145 Y 8.74 4.65 0.00 2.92 2.72 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 0.00 146 S 7.39 3.30 0.00 4.06 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 0.00 147 G 8.01 4.22 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 0.00 0.00 0.00 148 K 8.27 4.48 0.00 1.86 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.64 7.81 149 Q 8.16 4.49 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 *151 N 8.57 4.52 0.00 2.92 2.88 0.00 0.00 6.92 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.86 4.44 0.00 2.84 2.74 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 0.00 153 E 8.30 4.40 0.00 1.97 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 2.28 2.27 0.00 154 K 8.02 4.46 0.00 2.08 1.80 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 155 T 9.52 4.92 4.42 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 1.25 0.00 0.00 156 A 8.51 4.13 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 0.00 157 A 7.82 4.05 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 0.00 158 D 8.27 4.51 0.00 2.28 2.35 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 0.00 159 Y 7.38 4.64 0.00 2.96 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 0.00 160 K 7.89 3.95 0.00 2.06 2.04 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.62 7.81 161 I 7.56 3.51 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.27 0.80 0.00 0.00 *163 G 8.35 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 0.00 164 G 8.92 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 0.00 0.00 0.00 165 S 7.56 4.41 0.00 3.86 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 0.00 166 V 8.54 4.78 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 0.72 0.00 0.00 0.94 0.00 0.00 167 L 9.35 4.79 0.00 1.60 1.60 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 168 H 9.08 4.84 0.00 3.19 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.92 4.92 0.00 1.57 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.38 4.31 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 0.93 0.00 0.00 171 L 8.46 4.64 0.00 1.57 1.58 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.56 4.10 1.25 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 0.00 0.00 0.00 173 L 8.74 3.91 0.00 1.72 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 7.98 4.36 0.00 1.80 1.95 0.00 3.34 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 175 G 8.21 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 0.00 0.00 0.00 0.00 176 G 7.91 4.30 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 0.00 * Residues marked with a * may have inaccurate shift predictions.