NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570880 | 2mer | 18974 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
!Dihedral Restraints !Delta (Assuming A form through out_from Sam's GAAA paper) assign (resid 1 and name c5') (resid 1 and name c4') (resid 1 and name c3') (resid 1 and name o3') 1.0 84.00 10.0 2 assign (resid 2 and name c5') (resid 2 and name c4') (resid 2 and name c3') (resid 2 and name o3') 1.0 84.00 10.0 2 assign (resid 3 and name c5') (resid 3 and name c4') (resid 3 and name c3') (resid 3 and name o3') 1.0 84.00 10.0 2 assign (resid 4 and name c5') (resid 4 and name c4') (resid 4 and name c3') (resid 4 and name o3') 1.0 84.00 10.0 2 assign (resid 5 and name c5') (resid 5 and name c4') (resid 5 and name c3') (resid 5 and name o3') 1.0 84.00 10.0 2 assign (resid 6 and name c5') (resid 6 and name c4') (resid 6 and name c3') (resid 6 and name o3') 1.0 84.00 10.0 2 assign (resid 7 and name c5') (resid 7 and name c4') (resid 7 and name c3') (resid 7 and name o3') 1.0 84.00 20.0 2 assign (resid 8 and name c5') (resid 8 and name c4') (resid 8 and name c3') (resid 8 and name o3') 1.0 84.00 20.0 2 assign (resid 9 and name c5') (resid 9 and name c4') (resid 9 and name c3') (resid 9 and name o3') 1.0 84.00 20.0 2 !assign (resid 10 and name c5') (resid 10 and name c4') ! (resid 10 and name c3') (resid 10 and name o3') 1.0 84.00 20.0 2 !assign (resid 11 and name c5') (resid 11 and name c4') ! (resid 11 and name c3') (resid 11 and name o3') 1.0 157.00 45.0 2 !assign (resid 12 and name c5') (resid 12 and name c4') ! (resid 12 and name c3') (resid 12 and name o3') 1.0 84.00 20.0 2 assign (resid 13 and name c5') (resid 13 and name c4') (resid 13 and name c3') (resid 13 and name o3') 1.0 84.00 20.0 2 assign (resid 14 and name c5') (resid 14 and name c4') (resid 14 and name c3') (resid 14 and name o3') 1.0 84.00 10.0 2 assign (resid 15 and name c5') (resid 15 and name c4') (resid 15 and name c3') (resid 15 and name o3') 1.0 84.00 10.0 2 assign (resid 16 and name c5') (resid 16 and name c4') (resid 16 and name c3') (resid 16 and name o3') 1.0 84.00 10.0 2 assign (resid 17 and name c5') (resid 17 and name c4') (resid 17 and name c3') (resid 17 and name o3') 1.0 84.00 10.0 2 assign (resid 18 and name c5') (resid 18 and name c4') (resid 18 and name c3') (resid 18 and name o3') 1.0 84.00 10.0 2 assign (resid 19 and name c5') (resid 19 and name c4') (resid 19 and name c3') (resid 19 and name o3') 1.0 84.00 10.0 2 !zeta and alpha Derived from P chemical shifts, where a downfield shifted P !implies a trans conformation, otherwise constrain to exclude a trans conformation (0+/-120) assign (resid 1 and name c3') (resid 1 and name o3') (resid 2 and name p) (resid 2 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 1 and name o3') (resid 2 and name p) (resid 2 and name o5') (resid 2 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 2 and name c3') (resid 2 and name o3') (resid 3 and name p) (resid 3 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 2 and name o3') (resid 3 and name p) (resid 3 and name o5') (resid 3 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 3 and name c3') (resid 3 and name o3') (resid 4 and name p) (resid 4 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 3 and name o3') (resid 4 and name p) (resid 4 and name o5') (resid 4 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 4 and name c3') (resid 4 and name o3') (resid 5 and name p) (resid 5 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 4 and name o3') (resid 5 and name p) (resid 5 and name o5') (resid 5 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 5 and name c3') (resid 5 and name o3') (resid 6 and name p) (resid 6 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 5 and name o3') (resid 6 and name p) (resid 6 and name o5') (resid 6 and name c5') 1.0 -62 10.0 2 {*alpha*} assign(resid 6 and name c3') (resid 6 and name o3') (resid 7 and name p) (resid 7 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 6 and name o3') (resid 7 and name p) (resid 7 and name o5') (resid 7 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 7 and name c3') (resid 7 and name o3') (resid 8 and name p) (resid 8 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 7 and name o3') (resid 8 and name p) (resid 8 and name o5') (resid 8 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 8 and name c3') (resid 8 and name o3') (resid 9 and name p) (resid 9 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 8 and name o3') (resid 9 and name p) (resid 9 and name o5') (resid 9 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 9 and name c3') (resid 9 and name o3') (resid 10 and name p) (resid 10 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 9 and name o3') (resid 10 and name p) (resid 10 and name o5') (resid 10 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 10 and name c3') (resid 10 and name o3') (resid 11 and name p) (resid 11 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 10 and name o3') (resid 11 and name p) (resid 11 and name o5') (resid 11 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 11 and name c3') (resid 11 and name o3') (resid 12 and name p) (resid 12 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 11 and name o3') (resid 12 and name p) (resid 12 and name o5') (resid 12 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 12 and name c3') (resid 12 and name o3') (resid 13 and name p) (resid 13 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 12 and name o3') (resid 13 and name p) (resid 13 and name o5') (resid 13 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 13 and name c3') (resid 13 and name o3') (resid 14 and name p) (resid 14 and name o5') 1.0 0 120 2 {*Zeta*} assign (resid 13 and name o3') (resid 14 and name p) (resid 14 and name o5') (resid 14 and name c5') 1.0 0 120 2 {*alpha*} assign (resid 14 and name c3') (resid 14 and name o3') (resid 15 and name p) (resid 15 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 14 and name o3') (resid 15 and name p) (resid 15 and name o5') (resid 15 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 15 and name c3') (resid 15 and name o3') (resid 16 and name p) (resid 16 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 15 and name o3') (resid 16 and name p) (resid 16 and name o5') (resid 16 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 16 and name c3') (resid 16 and name o3') (resid 17 and name p) (resid 17 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 16 and name o3') (resid 17 and name p) (resid 17 and name o5') (resid 17 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 17 and name c3') (resid 17 and name o3') (resid 18 and name p) (resid 18 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 17 and name o3') (resid 18 and name p) (resid 18 and name o5') (resid 18 and name c5') 1.0 -62 10.0 2 {*alpha*} assign (resid 18 and name c3') (resid 18 and name o3') (resid 19 and name p) (resid 19 and name o5') 1.0 -71 10.0 2 {*Zeta*} assign (resid 18 and name o3') (resid 19 and name p) (resid 19 and name o5') (resid 19 and name c5') 1.0 -62 10.0 2 {*alpha*} !beta constraint to trans (180+/-40)if P-H5'/H5'' from 31P Hetcor are absent , !implies couplings <5Hz, if observed leave it unconstrained(Nucleic acids res, 2005, vol 33, No 22) assign (resid 2 and name p) (resid 2 and name o5') (resid 2 and name c5') (resid 2 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 3 and name p) (resid 3 and name o5') (resid 3 and name c5') (resid 3 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 4 and name p) (resid 4 and name o5') (resid 4 and name c5') (resid 4 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 5 and name p) (resid 5 and name o5') (resid 5 and name c5') (resid 5 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 6 and name p) (resid 6 and name o5') (resid 6 and name c5') (resid 6 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 7 and name p) (resid 7 and name o5') (resid 7 and name c5') (resid 7 and name c4') 1.0 -180 90.0 2 {*beta*} assign (resid 8 and name p) (resid 8 and name o5') (resid 8 and name c5') (resid 8 and name c4') 1.0 -180 90.0 2 {*beta*} assign (resid 9 and name p) (resid 9 and name o5') (resid 9 and name c5') (resid 9 and name c4') 1.0 -180 90.0 2 {*beta*} assign (resid 10 and name p) (resid 10 and name o5') (resid 10 and name c5') (resid 10 and name c4') 1.0 -180 90.0 2 {*beta*} assign (resid 11 and name p) (resid 11 and name o5') (resid 11 and name c5') (resid 11 and name c4') 1.0 -180 90.0 2 {*beta*} assign (resid 12 and name p) (resid 12 and name o5') (resid 12 and name c5') (resid 12 and name c4') 1.0 -180 90.0 2 {*beta*} assign (resid 13 and name p) (resid 13 and name o5') (resid 13 and name c5') (resid 13 and name c4') 1.0 -180 90.0 2 {*beta*} assign (resid 14 and name p) (resid 14 and name o5') (resid 14 and name c5') (resid 14 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 15 and name p) (resid 15 and name o5') (resid 15 and name c5') (resid 15 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 16 and name p) (resid 16 and name o5') (resid 16 and name c5') (resid 16 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 17 and name p) (resid 17 and name o5') (resid 17 and name c5') (resid 17 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 18 and name p) (resid 18 and name o5') (resid 18 and name c5') (resid 18 and name c4') 1.0 172 10.0 2 {*beta*} assign (resid 19 and name p) (resid 19 and name o5') (resid 19 and name c5') (resid 19 and name c4') 1.0 172 10.0 2 {*beta*} !Gamma ,in DQF COSY if H4'-H5'/H5'' peaks were absent implies <5Hz, ! restrain gamma to gauche+ (60+/-20), if H4'-H5'or H4'-H5'' present and equal intesity then, ! couplings >5Hz constraint to include both the trans and gauche- (-120+/-120), ! if weak, unobservable, and unequal H4'-H5'or H4'-H5'' NOE intensities, !implies conformational averaging, dont constrain !We used 120+/-120 for the unseen gammas to exclude gauche- which is very rare. !(Nucleic acids res, 2005, vol 33, No 22) assign (resid 1 and name o5') (resid 1 and name c5') (resid 1 and name c4') (resid 1 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 2 and name o5') (resid 2 and name c5') (resid 2 and name c4') (resid 2 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 3 and name o5') (resid 3 and name c5') (resid 3 and name c4') (resid 3 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 4 and name o5') (resid 4 and name c5') (resid 4 and name c4') (resid 4 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 5 and name o5') (resid 5 and name c5') (resid 5 and name c4') (resid 5 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 6 and name o5') (resid 6 and name c5') (resid 6 and name c4') (resid 6 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 7 and name o5') (resid 7 and name c5') (resid 7 and name c4') (resid 7 and name c3') 1.0 120 120 2 {*gamma} assign (resid 8 and name o5') (resid 8 and name c5') (resid 8 and name c4') (resid 8 and name c3') 1.0 120 120 2 {*gamma} assign (resid 9 and name o5') (resid 9 and name c5') (resid 9 and name c4') (resid 9 and name c3') 1.0 120 120 2 {*gamma} assign (resid 10 and name o5') (resid 10 and name c5') (resid 10 and name c4') (resid 10 and name c3') 1.0 120 120 2 {*gamma} assign (resid 11 and name o5') (resid 11 and name c5') (resid 11 and name c4') (resid 11 and name c3') 1.0 120 120 2 {*gamma} assign (resid 12 and name o5') (resid 12 and name c5') (resid 12 and name c4') (resid 12 and name c3') 1.0 120 120 2 {*gamma} assign (resid 13 and name o5') (resid 13 and name c5') (resid 13 and name c4') (resid 13 and name c3') 1.0 120 120 2 {*gamma} assign (resid 14 and name o5') (resid 14 and name c5') (resid 14 and name c4') (resid 14 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 15 and name o5') (resid 15 and name c5') (resid 15 and name c4') (resid 15 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 16 and name o5') (resid 16 and name c5') (resid 16 and name c4') (resid 16 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 17 and name o5') (resid 17 and name c5') (resid 17 and name c4') (resid 17 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 18 and name o5') (resid 18 and name c5') (resid 18 and name c4') (resid 18 and name c3') 1.0 60 10.0 2 {*gamma} assign (resid 19 and name o5') (resid 19 and name c5') (resid 19 and name c4') (resid 19 and name c3') 1.0 60 10.0 2 {*gamma} !Epsilon, these values include both trans and gauche minus since P-H3' were >5Hz ! in 31P Hetcor (Nucleic acids res, 2005, vol 33, No 22), ! you can constrain to (-120+/-120 to exclude gauche+) assign (resid 1 and name c4') (resid 1 and name c3') (resid 1 and name o3') (resid 2 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 2 and name c4') (resid 2 and name c3') (resid 2 and name o3') (resid 3 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 3 and name c4') (resid 3 and name c3') (resid 3 and name o3') (resid 4 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 4 and name c4') (resid 4 and name c3') (resid 4 and name o3') (resid 5 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 5 and name c4') (resid 5 and name c3') (resid 5 and name o3') (resid 6 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 6 and name c4') (resid 6 and name c3') (resid 6 and name o3') (resid 7 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 7 and name c4') (resid 7 and name c3') (resid 7 and name o3') (resid 8 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 8 and name c4') (resid 8 and name c3') (resid 8 and name o3') (resid 9 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 9 and name c4') (resid 9 and name c3') (resid 9 and name o3') (resid 10 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 10 and name c4') (resid 10 and name c3') (resid 10 and name o3') (resid 11 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 11 and name c4') (resid 11 and name c3') (resid 11 and name o3') (resid 12 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 12 and name c4') (resid 12 and name c3') (resid 12 and name o3') (resid 13 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 13 and name c4') (resid 13 and name c3') (resid 13 and name o3') (resid 14 and name p) 1.0 -120 120.0 2 {*epsilon} assign (resid 14 and name c4') (resid 14 and name c3') (resid 14 and name o3') (resid 15 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 15 and name c4') (resid 15 and name c3') (resid 15 and name o3') (resid 16 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 16 and name c4') (resid 16 and name c3') (resid 16 and name o3') (resid 17 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 17 and name c4') (resid 17 and name c3') (resid 17 and name o3') (resid 18 and name p) 1.0 -160 10.0 2 {*epsilon} assign (resid 18 and name c4') (resid 18 and name c3') (resid 18 and name o3') (resid 19 and name p) 1.0 -160 10.0 2 {*epsilon} !From H1'-H8/H6 peak volume in NOESY ,All uniform imply anti conformation, !(j.mol.biol (2005)351,371-382) !G1 chi assign (resid 1 and name O4') (resid 1 and name C1') (resid 1 and name N9 ) (resid 1 and name C4 ) 1 -160 10 2 !G2 chi assign (resid 2 and name O4') (resid 2 and name C1') (resid 2 and name N9 ) (resid 2 and name C4 ) 1 -160 10 2 ! C3 chi assign (resid 3 and name O4') (resid 3 and name C1') (resid 3 and name N1 ) (resid 3 and name C2 ) 1 -160 10 2 ! C4 chi assign (resid 4 and name O4') (resid 4 and name C1') (resid 4 and name N1 ) (resid 4 and name C2 ) 1 -160 10 2 !G5 chi assign (resid 5 and name O4') (resid 5 and name C1') (resid 5 and name N9 ) (resid 5 and name C4 ) 1 -160 10 2 ! P6 chi assign (resid 6 and name O4') (resid 6 and name C1') (resid 6 and name N1 ) (resid 6 and name C2 ) 1 -160 10 2 !assign (resid 6 and name H1') (resid 6 and name C1') ! (resid 6 and name N1 ) (resid 6 and name C6 ) 1 180 60 2 ! A7 chi assign (resid 7 and name O4') (resid 7 and name C1') (resid 7 and name N9 ) (resid 7 and name C4 ) 1 -110 110 2 ! A8 chi assign (resid 8 and name O4') (resid 8 and name C1') (resid 8 and name N9 ) (resid 8 and name C4 ) 1 -110 110 2 ! C9 chi assign (resid 9 and name O4') (resid 9 and name C1') (resid 9 and name N1 ) (resid 9 and name C2 ) 1 -110 110 2 ! P10 chi assign (resid 10 and name O4') (resid 10 and name C1') (resid 10 and name N1 ) (resid 10 and name C2 ) 1 -110 110 2 assign (resid 10 and name H1') (resid 10 and name C1') (resid 10 and name C5 ) (resid 10 and name C6 ) 1 180 45 2 ! A11 chi assign (resid 11 and name O4') (resid 11 and name C1') (resid 11 and name N9 ) (resid 11 and name C4 ) 1 -110 110 2 ! P12 chi assign (resid 12 and name O4') (resid 12 and name C1') (resid 12 and name N1 ) (resid 12 and name C2 ) 1 -110 110 2 ! A13 chi assign (resid 13 and name O4') (resid 13 and name C1') (resid 13 and name N9 ) (resid 13 and name C4 ) 1 -110 110 2 ! A14 chi assign (resid 14 and name O4') (resid 14 and name C1') (resid 14 and name N9 ) (resid 14 and name C4 ) 1 -160 10 2 ! C15 chi assign (resid 15 and name O4') (resid 15 and name C1') (resid 15 and name N1 ) (resid 15 and name C2 ) 1 -160 10 2 !G16 chi assign (resid 16 and name O4') (resid 16 and name C1') (resid 16 and name N9 ) (resid 16 and name C4 ) 1 -160 10 2 !G17 chi assign (resid 17 and name O4') (resid 17 and name C1') (resid 17 and name N9 ) (resid 17 and name C4 ) 1 -160 10 2 ! U18 chi assign (resid 18 and name O4') (resid 18 and name C1') (resid 18 and name N1 ) (resid 18 and name C2 ) 1 -160 10 2 ! C19 chi assign (resid 19 and name O4') (resid 19 and name C1') (resid 19 and name N1 ) (resid 19 and name C2 ) 1 -160 10 2 !H69PPP NOE Assignments at 37C (Jun Jiang)
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