##################################################################### # # # # # I-PINE supported NMR experiments and their profiles # # # # Last Updated: April 1, 2019 # # # # Author: Woonghee Lee, Ph.D. (whlee@nmrfam.wisc.edu), NMRFAM # # # # # ##################################################################### # A user can estimate peak numbers in experiments using these profiles. # e.g. If a protein has 100 residues, ~100 peaks are expected for # N15-HSQC, while ~200 peaks for HNCA and HN(CO)CACB. # If I-PINE results are not satisfactory, # # 1. you can check the peak numbers, and # 2. you can check peaks are well-aligned between experiments. # X, Y: aliphatic atom nomenclature (e.g. A, B, G, D, etc) # Z: all atom nomenclature # i, j: arbitrary residue number 1. N15-HSQC H(i)-N(i) 2. C13-HSQC - peak intensity column improves results for ctHSQC HX(i)-CX(i) 3. HNCO H(i)-N(i)-C(i-1) 4. CBCA(CO)NH H(i)-N(i)-CA(i-1) H(i)-N(i)-CB(i-1) 5. HNCACB - peak intensity column improves results H(i)-N(i)-CA(i-1) - positive signal H(i)-N(i)-CB(i-1) - negative signal H(i)-N(i)-CA(i) - positive signal H(i)-N(i)-CB(i) - negative signal OR opposite signs 6. HN(CO)CACB - peak intensity column improves results H(i)-N(i)-CA(i-1) - positive signal H(i)-N(i)-CB(i-1) - negative signal OR opposite signs 7. HNCA H(i)-N(i)-CA(i-1) H(i)-N(i)-CA(i) 8. HN(CO)CA H(i)-N(i)-CA(i-1) 9. HN(CA)CO H(i)-N(i)-C(i-1) H(i)-N(i)-C(i) 10. CB(CA)(CO)NH H(i)-N(i)-CB(i-1) 11. HN(CA)CB H(i)-N(i)-CB(i-1) H(i)-N(i)-CB(i) 12. C(CO)NH H(i)-N(i)-CX(i-1) 13. H(CCO)NH H(i)-N(i)-HX(i-1) 14. HBHA(CO)NH H(i)-N(i)-HA(i-1) H(i)-N(i)-HB(i-1) 15. HA(CO)NH H(i)-N(i)-HA(i-1) 16. HCCH-TOCSY a.k.a. H(C)CH-TOCSY HX(i)-CX(i)-HY(i) 17. CCH-TOCSY a.k.a. (H)CCH-TOCSY HX(i)-CX(i)-CY(i) 18. HCCH-COSY a.k.a. H(C)CH-COSY HX(i)-CX(i)-HY(i) -- HY is next to HX (e.g. HB next to HA) 19. CCH-COSY a.k.a. (H)CCH-COSY HX(i)-CX(i)-CY(i) -- CY is next to CX (e.g. CB next to CA) 20. TOCSY-NHSQC H(i)-N(i)-HX(i) H(i)-N(i)-H(i) 21. HNHA H(i)-N(i)-HA(i-1) H(i)-N(i)-HA(i) 22. HBHANH H(i)-N(i)-HA(i-1) H(i)-N(i)-HB(i-1) H(i)-N(i)-HA(i) H(i)-N(i)-HB(i) 23. HN(CA)NNH H(i)-N(i)-N(i-1) H(i)-N(i)-N(i) H(i)-N(i)-N(i+1) 24. N15-NOESY - peak intensity column is mandatory H(i)-N(i)-HZ(j) 25. C13-NOESY - peak intensity column is mandatory HX(i)-CX(i)-HZ(j) 26. HNCOCA-4D H(i)-N(i)-C(i-1)-CA(i-1) 27. HNCACO-4D H(i)-N(i)-C(i-1)-CA(i-1) H(i)-N(i)-C(i)-CA(i) 28. simHNCOCA-4D H(i)-N(i)-C(i-1)-CA(i-1) H(i)-N(i)-C(i-1)-CA(i) # This experiment is basically same as simHNCOCA-4D, # but completely disregard CA(i-1) signal. # A user should not pick CA(i-1). 29. HNCO(-1)CA-4D H(i)-N(i)-C(i-1)-CA(i)