welcome to ###### ## #### # # # # # # ##### # # # # # # ## # ## ## # # ##### # # #### # # # # # ## # # # # ###### # # # # # # # ##### # # # # # # # ## # # # # ###### # # #### # # # # # # # EASYNMR, a program makes NMR easy by GAOHUA LIU, 2002 Please choose from the following list A: converting one code sequence to xeasy sequence file B: modify xeasy atom list file C: simulate xeasy peak list D: simulate input files for autoassign E: converting autoassign result to xeasy sequence or updating xeasy sequence file F: converting autostructure/cyana output to xeasy G: combing xeasy peak prot seq lists for S/N analysis H: clean overintergrate peaks due to overlap I: simulate sparky peak list Please choose from the following list A: modify peaks of overlapping or close to diagnal line B: modify peaks based on cyana output peakoverlap Gaohua Liu input xeasy original peaks with format: peakID,shift(CN),shift(h),shift(Hcn),peakcolor,... output xeasy peaklist file name peakcolor of peaks close to diagnal line is 9 peakcolor of peaks close to water line is 8 peakcolor is 4 will not be change peakcolor is 4 is peaks manually modified peakcolor of overlap peaks is >4 peakcolor of overlap peaks is 5 < half height width peakcolor of overlap peaks is 7 < 1/2 half height width intensity limit for meaningful NOE, eg 60000 diagnal line limit, eg 0.1(ppm) half-height width for direct H in ppm half-height width in ppm for indirect H half-height width in ppm for 13C and 15N water shift modify intensity? peak height of peaks closed to diagnal line will be changed to 499-1999 xeasy peaks file read 275 peaks 0.100000001 0.0333333351 4542 599. 5608. 4546 599. 2028. 4566 599. 3840. 4600 599. 2155. 4602 599. 11050. 4636 599. 1383. 4649 599. 18470. 4764 599. 2417. 4831 599. 26990. 4665 2944. 496.797516 8 4760 757. 496.213379 8 4780 711. 496.162598 8 4788 640. 496.069855 8 4502 5559 4503 6580. 6614 0.160420537 1.00010002 4502 5559. 4672.2832 6614 0.840498269 6 4503 6580 4502 5559. 7471 0.160420537 1.00010002 4503 6580. 5795.26172 7471 0.880747676 5 4521 1224 4525 2707. 1793 0.21028915 1.00010002 4521 1224. 835.569458 1793 0.682661593 6 4522 1371 4778 739. 1518 0.199557811 1.00010002 4522 1371. 1238.23511 1518 0.903171062 5 4525 2707 4521 1224. 2964 0.21028915 1.00010002 4525 2707. 2472.28394 2964 0.913302004 5 4526 3004 4530 5037. 4063 0.21028915 1.00010002 4526 3004. 2221.02295 4063 0.739362538 6 4545 886 4543 1399. 1245 0.257099718 1.00010002 4545 886. 630.518921 1245 0.711653709 6 4561 1411 4560 1608. 2187 0.482835501 1.00010002 4561 1411. 910.343384 2187 0.64518249 6 4569 341 4570 214. 388 0.221416682 1.00010002 4569 341. 299.693298 388 0.878874779 5 4570 214 4569 341. 289 0.221416682 1.00010002 4570 214. 158.463654 289 0.740491807 6 4581 1205 4582 1500. 1691 0.324148744 1.00010002 4581 1205. 858.678345 1691 0.712603271 6 4582 1500 4581 1205. 1890 0.324148744 1.00010002 4582 1500. 1190.4762 1890 0.793658733 6 4590 2867 4602 11050. 3808 0.0852022171 1.00010002 4590 2867. 2158.53174 3808 0.752896249 6 4597 1522 4596 2059. 1977 0.221416682 1.00010002 4597 1522. 1171.7168 1977 0.769861042 6 4604 1263 4696 1795. 1567 0.169638202 1.00010002 4604 1263 4697 1259. 1860 0.232925415 1.00010002 4604 1263. 857.617737 1860 0.679039061 6 4696 1795 4604 1263. 2009 0.169638202 1.00010002 4696 1795. 1603.79541 2009 0.893488288 5 4697 1259 4604 1263. 1553 0.232925415 1.00010002 4697 1259. 1020.65741 1553 0.810697079 6 4723 914 4749 865. 1024 0.127185509 1.00010002 4723 914. 815.816406 1024 0.892587066 5 4729 1293 4750 1123. 1463 0.151572451 1.00010002 4729 1293. 1142.75391 1463 0.883809268 5 4739 675 4796 647. 714 0.0606396273 1.00010002 4739 675. 638.130249 714 0.945387661 5 4745 1747 4820 480. 1786 0.081942901 1.00010002 4745 1747. 1708.85156 1786 0.978173256 5 4749 865 4723 914. 981 0.127185509 1.00010002 4749 865. 762.716614 981 0.881762147 5 4750 1123 4729 1293. 1318 0.151572451 1.00010002 4750 1123. 956.850525 1318 0.852057099 5 4778 739 4522 1371. 1012 0.199557811 1.00010002 4778 739. 539.645203 1012 0.730244458 6 4785 1612 4534 4686. 1948 0.0717091188 1.00010002 4785 1612. 1333.95483 1948 0.827523649 6 4790 497 4811 497. 990 0.993094146 1.00010002 4790 497. 249.504044 990 0.502025247 6 4796 647 4739 675. 687 0.0606396273 1.00010002 4796 647 4797 605. 807 0.199556544 1.00010002 4796 647. 518.722412 807 0.801742852 6 4797 605 4796 647. 734 0.199556544 1.00010002 4797 605. 498.671631 734 0.824258924 6 4811 497 4790 497. 990 0.993094146 1.00010002 4811 497. 249.504044 990 0.502025247 6 4820 480 4745 1747. 623 0.081942901 1.00010002 4820 480. 369.823456 623 0.770473242 6 4830 16360 4586 5222. 17465 0.211650595 1.00010002 4830 16360 4643 12240. 24447 0.570445359 1.00010002 4830 16360. 10948.1582 24447 0.66920948 6