NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 106 S 4.4292 8.1927 115.4123 58.3850 65.5509 175.2641 107 E 3.6873 8.2640 122.3218 57.9336 29.2506 175.4469 108 E 4.0668 8.9096 120.2549 59.1900 30.1395 178.2459 109 S 4.1235 7.9254 114.8839 61.4217 62.8549 175.8131 110 L 3.9266 8.1183 123.0899 58.5398 41.8867 179.2077 111 K 3.8686 7.7450 117.0289 59.6443 31.9093 178.9969 112 H 4.0027 8.0702 117.8227 59.2689 29.9281 177.1868 113 A 4.0227 8.3100 122.8885 55.5304 18.1163 179.7579 114 T 3.8551 8.2582 114.5944 66.5579 68.4572 176.9545 115 R 3.8379 7.8396 120.5191 59.5594 30.3040 178.6250 116 I 3.7135 7.8715 119.6404 64.4345 37.0950 178.6104 117 I 3.8661 7.8615 120.5867 64.4774 36.9477 178.0128 118 D 4.4293 8.6670 120.0993 57.5308 40.5425 179.0247 119 E 3.9471 8.2217 119.0325 59.3415 29.5020 179.4076 120 V 3.6001 7.3891 117.0147 65.9531 31.5299 178.3077 121 V 3.6696 7.8076 118.0412 66.1192 31.4910 178.1192 122 S 4.1970 8.3578 114.3365 61.3043 62.6331 176.3932 123 K 3.9160 8.3048 123.2303 59.2018 31.9166 178.4849 124 F 4.1763 8.2645 120.9134 61.4994 39.3621 177.1244 125 L 3.7123 8.4147 118.7879 57.5966 41.2844 179.3932 126 D 4.2808 8.0384 119.0905 57.4572 40.8005 178.4559 127 D 4.2839 8.0988 119.4655 57.2051 40.6829 178.6363 128 L 3.8639 7.8841 121.3959 57.7651 41.9712 179.2979 129 G 3.5429 7.8995 105.9777 47.5071 0.0000 175.6835 130 N 4.2946 8.2766 118.6018 56.0841 38.6036 177.2470 131 A 4.0126 7.8335 122.1609 55.0160 18.3834 179.5691 132 K 3.8103 7.7983 117.9029 59.7856 32.2643 179.2950 133 S 4.1331 8.1175 114.4884 61.5451 62.9022 175.8682 134 H 4.1862 8.7801 122.3381 59.1078 29.6186 177.3093 135 L 3.9427 8.3789 121.3167 57.8926 41.3138 179.4426 136 M 4.1625 8.1914 119.1353 58.3452 31.7083 178.9156 137 S 4.1833 8.2467 113.8064 61.3985 63.4218 176.3338 138 L 4.0743 7.7645 122.2751 57.4531 41.3275 178.5622 139 Y 4.2103 8.1288 119.7660 60.9020 38.6314 178.4880 140 S 4.3610 8.4108 113.2090 60.7053 63.1342 175.4873 141 A 4.2392 7.7921 123.0537 54.4763 18.2482 177.1666 142 C 4.3724 8.2861 113.7836 61.0002 29.8937 175.2126 143 S 3.8967 7.3603 121.4199 61.1982 62.4109 174.6117 *152 D 4.7520 7.9765 120.1250 54.2150 42.8948 176.9067 153 Q 4.1702 7.9936 117.1246 58.2276 29.3070 177.8293 154 K 4.0413 7.9732 119.8263 58.8175 32.2636 178.5919 155 F 4.2778 8.1897 120.9739 61.1269 39.3707 176.6683 156 Q 3.9184 7.9098 118.7974 59.5559 28.6083 178.7500 157 S 4.1246 7.6231 114.6624 61.1853 63.1223 176.3089 158 I 3.8761 7.1097 121.4493 63.7620 36.8927 178.1499 159 V 3.3203 7.6279 119.5388 66.2383 31.0480 178.2345 160 I 3.7459 7.2525 118.1351 64.0226 36.9777 177.9271 161 G 3.7389 7.6620 103.7244 45.1550 0.0000 173.3423 162 C 4.4957 7.2623 118.6768 58.2886 29.9023 173.9961 163 A 4.2121 8.1636 123.5570 51.6235 20.1051 178.5988 164 L 3.9093 8.6191 123.3085 58.1938 41.8728 179.9689 165 E 3.9753 8.1718 116.6345 59.7512 29.5110 178.6810 166 D 4.4932 8.0145 118.5626 56.3226 41.0413 178.2859 167 Q 4.1150 8.0372 118.8545 58.1419 28.6847 178.5200 168 K 3.9774 8.0598 119.8774 59.2807 32.1429 179.3492 169 K 3.9428 7.8822 118.3265 59.5805 31.9885 179.1974 170 I 3.7495 7.6511 119.6700 64.4614 37.0103 178.4362 171 K 4.0957 8.0340 118.9827 59.6485 31.9124 179.0622 172 R 4.7078 8.2558 120.4217 59.0817 29.8836 178.2898 173 R 3.9220 8.6601 118.4802 59.5308 29.9457 178.4714 174 L 3.9815 8.1651 118.7800 57.6483 41.6198 179.1999 175 E 3.6672 8.3408 118.7346 59.8134 29.3880 179.5364 176 T 3.8494 8.2004 115.9345 66.7141 68.4778 176.6995 177 L 3.9635 8.1316 120.9657 57.7774 41.6145 179.5917 178 L 4.0243 8.0777 119.0876 57.6462 41.4576 179.8488 179 R 3.8699 7.9386 118.1494 59.2231 30.0266 178.7188 180 N 4.2891 8.3379 116.5477 56.4796 38.7534 177.2753 181 I 3.8524 8.2166 119.7534 63.4254 38.0372 177.3127 182 D 4.3442 7.9529 119.3544 57.3168 41.0218 177.8038 183 N 4.4576 8.1673 117.1092 56.0553 38.2854 177.6212 184 S 4.2006 7.8085 116.2874 61.5216 63.1590 175.8555 185 D 4.4785 8.0708 120.4964 57.2350 40.8024 178.2398 186 K 4.0037 7.9943 118.8193 59.2614 32.2045 178.3637 187 A 4.3735 7.8151 120.4983 53.6929 18.6180 177.3834 188 I 4.0897 7.3094 117.8538 60.1042 36.2224 176.1831 189 K 4.1796 8.3716 123.6654 56.5174 31.9518 177.4588 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 106 S 8.19 4.43 0.00 4.02 4.18 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 0.00 0.00 0.00 0.00 107 E 8.26 3.69 0.00 2.18 2.01 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 2.39 2.49 0.00 108 E 8.91 4.07 0.00 2.08 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 0.00 2.39 2.42 0.00 109 S 7.93 4.12 0.00 4.05 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 0.00 110 L 8.12 3.93 0.00 1.86 1.68 0.92 1.01 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 0.00 111 K 7.75 3.87 0.00 2.11 1.87 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.47 7.81 112 H 8.07 4.00 0.00 3.49 3.35 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.31 4.02 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 0.00 114 T 8.26 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 115 R 7.84 3.84 0.00 2.19 1.88 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 116 I 7.87 3.71 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.92 0.00 0.00 117 I 7.86 3.87 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 1.52 1.18 0.91 0.00 0.00 118 D 8.67 4.43 0.00 2.80 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 0.00 119 E 8.22 3.95 0.00 2.16 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 2.64 0.00 120 V 7.39 3.60 2.22 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 1.00 0.00 0.00 0.98 0.00 0.00 121 V 7.81 3.67 2.24 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 1.10 0.00 0.00 0.98 0.00 0.00 122 S 8.36 4.20 0.00 4.08 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 0.00 123 K 8.30 3.92 0.00 1.96 2.13 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.31 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.54 7.81 124 F 8.26 4.18 0.00 3.21 3.28 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 0.00 125 L 8.41 3.71 0.00 1.81 1.65 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.04 4.28 0.00 2.84 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 0.00 127 D 8.10 4.28 0.00 2.66 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 0.00 128 L 7.88 3.86 0.00 0.99 1.46 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.90 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.28 4.29 0.00 2.71 2.83 0.00 0.00 6.86 6.86 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 0.00 131 A 7.83 4.01 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 0.00 132 K 7.80 3.81 0.00 1.86 1.99 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.40 7.81 133 S 8.12 4.13 0.00 4.09 4.08 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 0.00 0.00 0.00 0.00 134 H 8.78 4.19 0.00 3.30 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.38 3.94 0.00 1.87 1.63 0.87 0.76 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 0.00 136 M 8.19 4.16 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.51 0.00 137 S 8.25 4.18 0.00 4.02 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 0.00 138 L 7.76 4.07 0.00 1.60 0.99 0.41 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.13 4.21 0.00 3.13 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 0.00 140 S 8.41 4.36 0.00 4.05 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 0.00 141 A 7.79 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 142 C 8.29 4.37 0.00 2.81 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 0.00 143 S 7.36 3.90 0.00 3.26 3.25 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 *152 D 7.98 4.75 0.00 2.86 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 0.00 153 Q 7.99 4.17 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 154 K 7.97 4.04 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.52 7.81 155 F 8.19 4.28 0.00 3.17 3.08 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 0.00 0.00 0.00 0.00 156 Q 7.91 3.92 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 157 S 7.62 4.12 0.00 3.84 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 0.00 158 I 7.11 3.88 1.72 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 0.80 0.00 0.00 159 V 7.63 3.32 2.02 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 0.99 0.00 0.00 0.26 0.00 0.00 160 I 7.25 3.75 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.88 0.00 0.00 161 G 7.66 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 0.00 0.00 0.00 162 C 7.26 4.50 0.00 3.10 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 0.00 163 A 8.16 4.21 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 0.00 164 L 8.62 3.91 0.00 1.65 1.75 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.17 3.98 0.00 2.19 2.22 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 2.36 2.40 0.00 166 D 8.01 4.49 0.00 2.87 2.75 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 0.00 167 Q 8.04 4.11 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 168 K 8.06 3.98 0.00 2.05 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 169 K 7.88 3.94 0.00 2.02 1.89 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.72 7.81 170 I 7.65 3.75 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.88 1.12 0.00 0.00 171 K 8.03 4.10 0.00 2.05 2.02 0.00 1.68 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.71 7.81 172 R 8.26 4.71 0.00 2.02 2.18 0.00 3.31 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 173 R 8.66 3.92 0.00 1.98 2.12 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 174 L 8.17 3.98 0.00 2.14 1.75 0.88 1.03 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 0.00 175 E 8.34 3.67 0.00 2.18 1.93 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 2.11 2.51 0.00 176 T 8.20 3.85 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 177 L 8.13 3.96 0.00 1.84 1.68 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.08 4.02 0.00 1.70 1.60 0.64 0.76 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 0.00 179 R 7.94 3.87 0.00 2.05 1.95 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 180 N 8.34 4.29 0.00 2.98 2.86 0.00 0.00 6.71 8.28 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 0.00 181 I 8.22 3.85 1.96 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 1.37 1.33 0.91 0.00 0.00 182 D 7.95 4.34 0.00 2.95 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 0.00 183 N 8.17 4.46 0.00 2.95 2.85 0.00 0.00 6.97 7.91 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 0.00 184 S 7.81 4.20 0.00 4.08 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 0.00 185 D 8.07 4.48 0.00 2.73 2.83 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 0.00 0.00 0.00 0.00 186 K 7.99 4.00 0.00 1.88 1.98 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 187 A 7.82 4.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 I 7.31 4.09 1.96 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 1.64 1.18 0.98 0.00 0.00 189 K 8.37 4.18 0.00 1.73 1.72 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.