NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 111 G 3.9865 8.3544 109.7655 44.6828 0.0000 173.3140 112 K 2.0000 8.2813 121.5628 54.3139 32.4301 174.3575 113 P 4.2023 0.0000 0.0000 63.0031 32.7839 175.0833 114 K 4.3471 8.2028 120.7755 54.3294 33.5411 176.6430 115 R 2.5100 8.0432 124.1960 55.0272 30.3991 174.5545 116 P 4.3207 0.0000 0.0000 61.9996 32.1493 176.0330 117 R 3.9298 8.1882 120.1353 56.1227 30.7665 177.2275 118 S 4.3634 8.4100 119.1138 57.8240 65.1729 175.0870 119 A 4.1227 8.5989 124.6520 55.9008 18.1280 179.5141 120 Y 2.3900 7.6129 117.1931 60.4067 38.7845 177.8061 121 N 4.2941 8.0652 117.0786 55.7203 38.5783 177.6948 122 V 3.5752 8.1702 120.3881 66.0442 31.7834 177.3294 123 Y 3.7751 7.9321 119.1665 60.6681 38.5132 178.1255 124 V 3.4942 7.5460 118.7924 66.0080 31.3471 177.8607 125 A 3.9540 7.7622 119.2807 55.1158 18.3250 179.1724 126 E 4.0479 8.2798 115.4699 59.4011 29.6818 178.9915 127 R 4.0647 7.6751 117.7046 57.3791 30.2566 178.3535 128 F 3.9413 7.7998 121.5129 61.3776 39.1292 176.7561 129 Q 3.8243 8.3513 120.0275 59.3298 28.9355 177.1216 130 E 4.3822 7.3966 110.1111 55.5088 30.4633 178.8583 131 A 3.8872 7.7945 124.6115 56.3569 18.4474 179.4670 132 K 3.8309 7.5951 117.1127 53.5685 31.1526 176.4703 133 G 3.5826 8.2873 109.0017 49.0687 0.0000 175.0932 134 D 4.5453 8.4611 124.0954 54.6363 41.3194 179.1727 135 S 4.7172 7.5513 110.6008 56.0882 66.8415 173.3490 136 P 4.5010 0.0000 0.0000 66.0084 31.1002 178.6894 137 Q 4.0636 8.2511 116.2483 59.3748 28.6531 179.1510 138 E 4.0120 8.1856 119.0927 59.2234 29.5309 179.3397 139 K 3.9794 8.2720 118.8130 59.4252 32.0444 178.9694 140 L 4.0977 8.3662 120.5003 58.1893 42.1527 178.7154 141 K 3.9086 8.2365 119.7911 59.9790 31.9814 178.7379 142 T 3.9963 8.0436 109.9399 64.5608 68.8215 176.9207 143 V 3.6724 7.9319 121.0768 65.8835 31.4075 177.9318 144 K 4.0174 8.0448 116.8142 59.7110 32.1081 178.7563 145 E 4.2024 8.1860 118.0492 59.5614 29.4443 179.0762 146 N 4.3457 8.5445 116.8275 56.1691 38.2281 176.9366 147 W 3.4454 8.7126 130.0061 60.5748 30.3963 178.1569 148 K 4.2124 7.9544 116.6136 58.5754 31.4624 178.0667 149 N 4.8113 7.4068 114.1224 51.8453 39.3512 174.9651 150 L 3.9544 6.5942 120.5707 54.5098 42.3751 178.0026 151 S 4.2768 8.2560 116.4221 58.3490 64.8965 175.1288 152 D 4.2830 8.5432 122.8194 57.6782 40.5734 179.3189 153 S 4.1010 7.9045 114.1926 61.0830 63.2262 176.0582 154 E 3.8432 8.1661 123.1253 58.7995 29.3188 178.5103 155 K 3.5180 7.9543 118.7696 59.6433 32.0772 178.4793 156 E 3.9162 8.3121 119.3470 59.3867 29.4656 178.7345 157 L 3.8078 7.8853 120.0560 58.2768 42.1846 178.3794 158 Y 4.2251 7.8702 116.6521 61.4197 37.8796 178.9557 159 I 3.9219 8.2588 120.7247 64.4308 37.2245 178.3084 160 Q 4.0311 8.4646 120.7386 59.5106 28.9868 178.0189 161 H 4.3187 8.3953 117.0494 58.8751 28.6687 177.6787 162 A 4.0657 8.3072 122.6151 54.9661 18.1424 179.4368 163 K 4.1065 8.4809 119.9558 59.1948 32.2165 178.7847 164 E 3.9965 8.3796 118.6970 59.6399 29.3534 179.1504 165 D 4.4126 8.1146 118.6350 57.3495 40.8786 178.7219 166 E 4.0122 8.4452 119.4433 59.5942 29.4123 179.4492 167 T 3.9469 8.2445 116.2134 66.5292 68.4235 176.5743 168 R 3.8877 8.0091 120.6084 59.6356 30.0420 177.8101 169 Y 4.3763 8.2064 119.3248 61.1400 38.7565 177.8237 170 H 4.0166 8.5106 117.3834 58.9641 28.8317 177.4798 171 N 4.3307 8.3225 118.1735 56.4855 38.4113 177.3379 172 E 4.0323 8.4958 120.1926 59.6389 29.2917 179.3214 173 M 4.0828 7.9012 118.1161 58.4547 32.0831 178.7755 174 K 4.1535 7.8511 117.3550 59.2003 32.2420 179.0813 175 S 4.3943 7.8927 114.5489 59.1084 63.4033 174.8479 176 W 4.2353 7.6669 131.1034 57.6484 30.9696 175.4923 *177 A 3.7133 8.3666 126.5484 52.3296 18.2802 176.2291 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 111 G 8.35 3.99 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 0.00 0.00 0.00 112 K 8.28 2.00 0.00 1.25 1.40 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.01 0.34 7.81 113 P 0.00 4.20 0.00 2.11 2.20 0.00 2.69 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 114 K 8.20 4.35 0.00 1.63 1.60 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.33 7.81 115 R 8.04 2.51 0.00 1.39 1.57 0.00 3.18 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.17 0.00 116 P 0.00 4.32 0.00 2.15 1.95 0.00 3.22 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 117 R 8.19 3.93 0.00 1.75 1.85 0.00 3.22 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 118 S 8.41 4.36 0.00 4.06 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 0.00 119 A 8.60 4.12 1.65 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 0.00 0.00 120 Y 7.61 2.39 0.00 2.21 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.29 0.00 2.81 2.79 0.00 0.00 6.65 7.17 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 0.00 122 V 8.17 3.58 2.37 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 1.26 0.00 0.00 1.01 0.00 0.00 123 Y 7.93 3.78 0.00 2.57 2.93 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 0.00 0.00 0.00 124 V 7.55 3.49 1.86 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 0.89 0.00 0.00 0.52 0.00 0.00 125 A 7.76 3.95 1.30 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 0.00 126 E 8.28 4.05 0.00 2.12 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 0.00 2.17 2.31 0.00 127 R 7.68 4.06 0.00 1.58 1.81 0.00 3.20 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.67 0.00 128 F 7.80 3.94 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 8.35 3.82 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 130 E 7.40 4.38 0.00 2.04 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 2.19 2.11 0.00 131 A 7.79 3.89 1.23 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 0.00 0.00 132 K 7.60 3.83 0.00 1.95 1.71 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.99 7.81 133 G 8.29 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.55 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.72 0.00 4.02 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 0.00 136 P 0.00 4.50 0.00 2.29 2.41 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 137 Q 8.25 4.06 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 138 E 8.19 4.01 0.00 2.15 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 2.34 2.50 0.00 139 K 8.27 3.98 0.00 1.72 1.39 0.00 1.56 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.50 7.81 140 L 8.37 4.10 0.00 1.91 1.94 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.24 3.91 0.00 2.03 2.04 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 142 T 8.04 4.00 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 1.26 0.00 0.00 143 V 7.93 3.67 2.16 0.00 0.00 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 1.01 0.00 0.00 144 K 8.04 4.02 0.00 2.00 2.02 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.61 7.81 145 E 8.19 4.20 0.00 2.31 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 2.38 2.61 0.00 146 N 8.54 4.35 0.00 3.09 3.06 0.00 0.00 6.69 7.23 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 0.00 147 W 8.71 3.45 0.00 3.01 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.21 0.00 2.03 1.93 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.30 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.95 7.81 149 N 7.41 4.81 0.00 2.67 2.78 0.00 0.00 7.03 7.90 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 0.00 150 L 6.59 3.95 0.00 1.10 1.28 -0.35 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.26 4.28 0.00 3.99 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 0.00 152 D 8.54 4.28 0.00 2.70 2.73 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 0.00 0.00 0.00 153 S 7.90 4.10 0.00 4.01 4.09 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 0.00 154 E 8.17 3.84 0.00 2.03 1.90 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 2.41 2.28 0.00 155 K 7.95 3.52 0.00 1.93 1.73 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.59 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.53 1.11 7.81 156 E 8.31 3.92 0.00 2.04 2.15 0.00 0.00 0.00 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 2.34 0.00 157 L 7.89 3.81 0.00 1.80 1.65 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 7.87 4.23 0.00 3.41 3.26 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 0.00 159 I 8.26 3.92 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 1.00 0.00 0.00 160 Q 8.46 4.03 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 161 H 8.40 4.32 0.00 3.48 3.36 0.00 5.69 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 0.00 162 A 8.31 4.07 1.46 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 0.00 0.00 0.00 163 K 8.48 4.11 0.00 1.92 2.04 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.40 7.81 164 E 8.38 4.00 0.00 2.27 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 2.36 2.59 0.00 165 D 8.11 4.41 0.00 2.92 2.71 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 0.00 166 E 8.45 4.01 0.00 2.16 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 2.34 2.45 0.00 167 T 8.24 3.95 4.41 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 1.24 0.00 0.00 168 R 8.01 3.89 0.00 1.92 2.13 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 169 Y 8.21 4.38 0.00 2.98 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 0.00 170 H 8.51 4.02 0.00 3.36 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.32 4.33 0.00 2.91 2.88 0.00 0.00 7.09 7.18 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 0.00 172 E 8.50 4.03 0.00 2.15 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 2.37 2.54 0.00 173 M 7.90 4.08 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.30 0.00 174 K 7.85 4.15 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 175 S 7.89 4.39 0.00 3.92 3.97 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 0.00 0.00 0.00 176 W 7.67 4.24 0.00 3.32 3.29 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 *177 A 8.37 3.71 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 * Residues marked with a * may have inaccurate shift predictions.