31
Astex_0038 0000.0000 0079.9526 0107.8203 0098.7957 0089.0891 0105.9758 0080.0617 0093.9508 0089.1845 0069.5082 0107.4916 0081.9398 0065.1859 0116.0564 0055.6209 0108.2628 0089.5359 0105.7963 0109.7244 0112.4852 0094.6681 0097.5677 0095.5817 0109.8861 0076.0596 0096.2469 0087.6782 0053.7000 0127.6300 0095.4575 0089.6128 
Astex_0215 0079.9526 0000.0000 0107.0371 0098.6271 0090.9046 0102.0295 0089.8479 0102.2795 0093.7784 0081.6880 0101.4503 0089.0368 0077.0752 0117.5945 0070.3045 0105.7713 0095.5244 0110.8240 0109.7102 0116.1214 0095.9923 0091.6031 0096.1516 0107.8973 0080.6389 0097.9738 0074.4795 0077.0522 0125.4782 0092.4375 0078.3677 
Astex_0220 0107.8203 0107.0371 0000.0000 0113.4736 0094.8776 0095.0928 0096.6697 0101.1875 0122.0456 0111.6584 0105.6335 0097.4618 0103.2591 0118.1945 0102.7180 0085.5929 0102.8897 0105.8387 0112.9111 0104.3458 0098.3148 0096.8748 0091.0389 0108.3507 0111.9424 0096.2278 0095.1105 0100.1337 0128.4657 0096.1830 0102.5318 
Astex_0366 0098.7957 0098.6271 0113.4736 0000.0000 0099.1566 0112.1449 0097.3654 0106.7110 0112.6055 0103.8066 0114.9184 0106.6834 0100.6268 0121.1010 0098.9173 0117.4853 0107.2802 0107.4719 0117.8985 0113.9349 0094.9892 0104.4176 0095.9711 0116.2161 0114.2383 0103.0771 0100.7799 0098.6736 0123.7233 0105.0195 0102.0226 
Astex_0469 0089.0891 0090.9046 0094.8776 0099.1566 0000.0000 0091.1467 0087.4560 0092.5661 0108.7249 0098.0202 0092.2366 0066.0721 0089.8806 0103.9765 0082.0030 0094.6166 0078.4677 0096.7414 0101.9325 0095.5794 0073.4287 0084.7883 0077.6008 0091.7751 0098.4873 0078.2671 0074.7524 0083.2772 0121.1940 0085.8213 0076.5063 
Astex_0556 0105.9758 0102.0295 0095.0928 0112.1449 0091.1467 0000.0000 0096.1018 0099.4100 0120.7956 0107.1001 0107.1208 0094.6793 0106.1777 0117.6514 0102.2121 0104.0174 0100.1107 0095.8344 0108.1589 0109.2226 0096.6669 0097.0906 0094.7979 0107.5961 0112.6973 0088.2558 0098.6091 0096.8599 0131.9662 0094.7977 0099.1453 
Astex_0574 0080.0617 0089.8479 0096.6697 0097.3654 0087.4560 0096.1018 0000.0000 0088.5611 0111.7350 0103.8237 0098.0882 0078.1828 0088.6955 0106.8658 0085.9699 0098.4182 0091.5729 0093.5931 0098.8771 0106.3995 0089.4692 0084.7698 0081.8311 0100.9399 0099.1115 0078.2634 0084.1279 0080.1054 0122.3767 0082.4022 0094.3547 
Astex_0616 0093.9508 0102.2795 0101.1875 0106.7110 0092.5661 0099.4100 0088.5611 0000.0000 0122.0615 0112.6714 0105.0563 0091.1856 0102.5918 0103.6406 0098.7280 0102.5439 0094.9896 0096.9453 0108.8800 0102.9738 0092.0883 0092.5654 0087.4480 0105.2190 0112.8677 0090.3645 0093.7971 0094.3554 0125.9469 0084.6097 0099.4184 
Astex_0624 0089.1845 0093.7784 0122.0456 0112.6055 0108.7249 0120.7956 0111.7350 0122.0615 0000.0000 0069.4225 0121.6248 0108.3162 0084.2526 0135.9422 0084.3636 0124.8951 0110.8916 0125.1130 0131.0084 0127.4003 0108.7329 0111.9260 0111.1087 0125.6215 0063.9507 0104.6053 0104.2825 0089.0157 0138.0887 0112.5627 0102.9565 
Astex_0625 0069.5082 0081.6880 0111.6584 0103.8066 0098.0202 0107.1001 0103.8237 0112.6714 0069.4225 0000.0000 0111.0315 0084.3795 0059.1518 0126.3308 0064.3659 0113.9432 0101.1011 0112.7890 0119.6966 0120.7834 0090.4903 0100.3467 0099.9055 0117.9753 0042.4422 0104.6545 0097.1285 0067.6233 0132.9408 0102.2277 0093.8288 
Astex_0655 0107.4916 0101.4503 0105.6335 0114.9184 0092.2366 0107.1208 0098.0882 0105.0563 0121.6248 0111.0315 0000.0000 0094.8974 0104.9619 0115.3753 0097.4873 0105.9774 0084.5536 0109.0351 0112.9517 0114.2636 0095.0198 0086.5778 0086.9061 0109.4824 0105.7564 0094.7837 0078.3318 0095.0268 0129.9006 0094.4840 0098.4403 
Astex_0692 0081.9398 0089.0368 0097.4618 0106.6834 0066.0721 0094.6793 0078.1828 0091.1856 0108.3162 0084.3795 0094.8974 0000.0000 0086.9451 0110.7404 0070.6074 0102.3762 0081.1714 0093.0925 0100.7352 0105.9624 0081.2713 0082.5215 0079.4790 0098.1815 0086.6710 0081.4072 0080.8141 0071.9848 0125.1338 0086.1323 0077.6257 
Astex_0695 0065.1859 0077.0752 0103.2591 0100.6268 0089.8806 0106.1777 0088.6955 0102.5918 0084.2526 0059.1518 0104.9619 0086.9451 0000.0000 0116.6124 0054.2773 0103.3269 0097.4226 0109.1153 0114.5247 0115.9891 0078.8728 0091.1989 0093.3375 0098.7858 0057.7869 0096.5356 0093.0585 0065.2625 0131.7695 0091.9546 0081.4627 
Astex_1002 0116.0564 0117.5945 0118.1945 0121.1010 0103.9765 0117.6514 0106.8658 0103.6406 0135.9422 0126.3308 0115.3753 0110.7404 0116.6124 0000.0000 0113.3873 0120.1477 0112.2053 0112.7226 0118.7596 0121.5025 0105.1204 0111.3589 0106.3392 0117.2071 0127.5503 0110.1688 0111.0351 0115.2697 0139.2568 0106.7360 0118.9128 
Astex_1027 0055.6209 0070.3045 0102.7180 0098.9173 0082.0030 0102.2121 0085.9699 0098.7280 0084.3636 0064.3659 0097.4873 0070.6074 0054.2773 0113.3873 0000.0000 0106.2627 0088.8829 0103.6397 0113.6869 0112.8940 0083.7362 0089.7893 0090.2718 0104.0345 0063.1917 0093.4973 0080.6951 0054.2860 0126.9507 0087.7731 0079.8252 
Astex_1048 0108.2628 0105.7713 0085.5929 0117.4853 0094.6166 0104.0174 0098.4182 0102.5439 0124.8951 0113.9432 0105.9774 0102.3762 0103.3269 0120.1477 0106.2627 0000.0000 0104.8127 0108.1332 0115.1426 0108.5280 0102.7440 0097.2214 0094.6374 0116.2740 0115.7260 0100.1783 0098.3958 0106.6609 0134.3603 0096.3660 0102.9596 
Astex_1107 0089.5359 0095.5244 0102.8897 0107.2802 0078.4677 0100.1107 0091.5729 0094.9896 0110.8916 0101.1011 0084.5536 0081.1714 0097.4226 0112.2053 0088.8829 0104.8127 0000.0000 0095.7197 0090.0875 0108.9065 0080.8893 0085.3657 0077.9865 0101.7510 0096.3985 0077.5563 0052.6090 0084.1291 0120.3181 0087.2391 0078.0227 
Astex_1213 0105.7963 0110.8240 0105.8387 0107.4719 0096.7414 0095.8344 0093.5931 0096.9453 0125.1130 0112.7890 0109.0351 0093.0925 0109.1153 0112.7226 0103.6397 0108.1332 0095.7197 0000.0000 0062.7560 0085.3267 0100.4482 0098.8343 0097.4574 0100.1631 0119.0673 0098.0084 0090.4650 0104.5587 0132.6369 0096.2202 0106.3601 
Astex_1374 0109.7244 0109.7102 0112.9111 0117.8985 0101.9325 0108.1589 0098.8771 0108.8800 0131.0084 0119.6966 0112.9517 0100.7352 0114.5247 0118.7596 0113.6869 0115.1426 0090.0875 0062.7560 0000.0000 0097.3901 0109.4219 0109.4643 0102.2885 0105.4424 0125.0625 0102.1624 0091.8878 0110.7990 0137.0620 0102.8886 0106.8529 
Astex_1415 0112.4852 0116.1214 0104.3458 0113.9349 0095.5794 0109.2226 0106.3995 0102.9738 0127.4003 0120.7834 0114.2636 0105.9624 0115.9891 0121.5025 0112.8940 0108.5280 0108.9065 0085.3267 0097.3901 0000.0000 0106.5510 0100.5572 0091.7825 0097.9634 0124.7614 0100.0597 0107.1490 0101.5908 0137.6524 0103.8627 0112.7126 
Astex_1462 0094.6681 0095.9923 0098.3148 0094.9892 0073.4287 0096.6669 0089.4692 0092.0883 0108.7329 0090.4903 0095.0198 0081.2713 0078.8728 0105.1204 0083.7362 0102.7440 0080.8893 0100.4482 0109.4219 0106.5510 0000.0000 0083.6009 0079.3563 0088.3251 0086.6853 0081.5065 0080.2520 0080.8829 0119.4610 0090.2184 0089.8218 
Astex_1581 0097.5677 0091.6031 0096.8748 0104.4176 0084.7883 0097.0906 0084.7698 0092.5654 0111.9260 0100.3467 0086.5778 0082.5215 0091.1989 0111.3589 0089.7893 0097.2214 0085.3657 0098.8343 0109.4643 0100.5572 0083.6009 0000.0000 0062.2752 0098.3901 0100.6699 0079.1081 0083.7882 0087.6046 0119.7052 0081.5942 0089.2251 
Astex_1650 0095.5817 0096.1516 0091.0389 0095.9711 0077.6008 0094.7979 0081.8311 0087.4480 0111.1087 0099.9055 0086.9061 0079.4790 0093.3375 0106.3392 0090.2718 0094.6374 0077.9865 0097.4574 0102.2885 0091.7825 0079.3563 0062.2752 0000.0000 0091.5435 0101.7273 0065.1329 0078.0015 0087.8703 0120.0081 0081.0788 0083.9756 
Astex_1825 0109.8861 0107.8973 0108.3507 0116.2161 0091.7751 0107.5961 0100.9399 0105.2190 0125.6215 0117.9753 0109.4824 0098.1815 0098.7858 0117.2071 0104.0345 0116.2740 0101.7510 0100.1631 0105.4424 0097.9634 0088.3251 0098.3901 0091.5435 0000.0000 0114.4588 0093.0043 0100.0472 0107.6831 0132.3106 0102.4136 0110.8531 
Astex_1960 0076.0596 0080.6389 0111.9424 0114.2383 0098.4873 0112.6973 0099.1115 0112.8677 0063.9507 0042.4422 0105.7564 0086.6710 0057.7869 0127.5503 0063.1917 0115.7260 0096.3985 0119.0673 0125.0625 0124.7614 0086.6853 0100.6699 0101.7273 0114.4588 0000.0000 0102.7519 0090.4471 0063.1785 0131.9818 0100.8536 0085.4388 
Astex_1968 0096.2469 0097.9738 0096.2278 0103.0771 0078.2671 0088.2558 0078.2634 0090.3645 0104.6053 0104.6545 0094.7837 0081.4072 0096.5356 0110.1688 0093.4973 0100.1783 0077.5563 0098.0084 0102.1624 0100.0597 0081.5065 0079.1081 0065.1329 0093.0043 0102.7519 0000.0000 0075.7085 0088.3328 0119.2751 0082.9928 0082.5274 
Astex_1994 0087.6782 0074.4795 0095.1105 0100.7799 0074.7524 0098.6091 0084.1279 0093.7971 0104.2825 0097.1285 0078.3318 0080.8141 0093.0585 0111.0351 0080.6951 0098.3958 0052.6090 0090.4650 0091.8878 0107.1490 0080.2520 0083.7882 0078.0015 0100.0472 0090.4471 0075.7085 0000.0000 0080.4352 0123.7834 0083.6635 0082.5007 
Astex_1996 0053.7000 0077.0522 0100.1337 0098.6736 0083.2772 0096.8599 0080.1054 0094.3554 0089.0157 0067.6233 0095.0268 0071.9848 0065.2625 0115.2697 0054.2860 0106.6609 0084.1291 0104.5587 0110.7990 0101.5908 0080.8829 0087.6046 0087.8703 0107.6831 0063.1785 0088.3328 0080.4352 0000.0000 0127.7772 0088.2482 0074.2783 
Astex_1998 0127.6300 0125.4782 0128.4657 0123.7233 0121.1940 0131.9662 0122.3767 0125.9469 0138.0887 0132.9408 0129.9006 0125.1338 0131.7695 0139.2568 0126.9507 0134.3603 0120.3181 0132.6369 0137.0620 0137.6524 0119.4610 0119.7052 0120.0081 0132.3106 0131.9818 0119.2751 0123.7834 0127.7772 0000.0000 0125.5263 0119.0569 
Astex_2018 0095.4575 0092.4375 0096.1830 0105.0195 0085.8213 0094.7977 0082.4022 0084.6097 0112.5627 0102.2277 0094.4840 0086.1323 0091.9546 0106.7360 0087.7731 0096.3660 0087.2391 0096.2202 0102.8886 0103.8627 0090.2184 0081.5942 0081.0788 0102.4136 0100.8536 0082.9928 0083.6635 0088.2482 0125.5263 0000.0000 0093.1245 
Astex_2321 0089.6128 0078.3677 0102.5318 0102.0226 0076.5063 0099.1453 0094.3547 0099.4184 0102.9565 0093.8288 0098.4403 0077.6257 0081.4627 0118.9128 0079.8252 0102.9596 0078.0227 0106.3601 0106.8529 0112.7126 0089.8218 0089.2251 0083.9756 0110.8531 0085.4388 0082.5274 0082.5007 0074.2783 0119.0569 0093.1245 0000.0000