NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623979 |
6ez0   |
34199 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
# Restraints file 4: D6_27_thio_SugarPucker.tbl
{Nomenclature}
{ASSIgn atom-selection atom-selection atom-selection atom-selection real real real integer}
{The first real number specifies the energy constant in kcal mole-1 rad-2, }
{the second real number specifies the angle in degrees to which the dihedral angle is restrained,}
{the third real number specifies the range around}
{the restrained angle, and the integer number specifies the exponent.}
{sugar pucker constraints}
{based on TOCSY EB_090806_3 @ 303K, mt=50ms, 700 MHz}
{helical A-type RNA is usually 3'-endo, i.e. N-type}
{Assumption: all sugarpuckers are constrained to N-type}
{delta angle: S-type, 145.0; N-type, 85.0}
{nu1 angle: S-type, 25.0; N-type, -25.0}
{nu2 angle: S-type, -35.0; N-type, 37.3}
{south: U13, A14, U21}
{unrestrained: G1, G12, A16, U19, A20, C27}
{G2}
assign ( resi 2 and name C5' )
( resi 2 and name C4' )
( resi 2 and name C3' )
( resi 2 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 2 and name O4' )
( resi 2 and name C1' )
( resi 2 and name C2' )
( resi 2 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 2 and name C1' )
( resi 2 and name C2' )
( resi 2 and name C3' )
( resi 2 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{A3}
assign ( resi 3 and name C5' )
( resi 3 and name C4' )
( resi 3 and name C3' )
( resi 3 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 3 and name O4' )
( resi 3 and name C1' )
( resi 3 and name C2' )
( resi 3 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 3 and name C1' )
( resi 3 and name C2' )
( resi 3 and name C3' )
( resi 3 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G4}
assign ( resi 4 and name C5' )
( resi 4 and name C4' )
( resi 4 and name C3' )
( resi 4 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 4 and name O4' )
( resi 4 and name C1' )
( resi 4 and name C2' )
( resi 4 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 4 and name C1' )
( resi 4 and name C2' )
( resi 4 and name C3' )
( resi 4 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{C5}
assign ( resi 5 and name C5' )
( resi 5 and name C4' )
( resi 5 and name C3' )
( resi 5 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 5 and name O4' )
( resi 5 and name C1' )
( resi 5 and name C2' )
( resi 5 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 5 and name C1' )
( resi 5 and name C2' )
( resi 5 and name C3' )
( resi 5 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G6}
assign ( resi 6 and name C5' )
( resi 6 and name C4' )
( resi 6 and name C3' )
( resi 6 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 6 and name O4' )
( resi 6 and name C1' )
( resi 6 and name C2' )
( resi 6 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 6 and name C1' )
( resi 6 and name C2' )
( resi 6 and name C3' )
( resi 6 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G7}
assign ( resi 7 and name C5' )
( resi 7 and name C4' )
( resi 7 and name C3' )
( resi 7 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 7 and name O4' )
( resi 7 and name C1' )
( resi 7 and name C2' )
( resi 7 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 7 and name C1' )
( resi 7 and name C2' )
( resi 7 and name C3' )
( resi 7 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G8}
assign ( resi 8 and name C5' )
( resi 8 and name C4' )
( resi 8 and name C3' )
( resi 8 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 8 and name O4' )
( resi 8 and name C1' )
( resi 8 and name C2' )
( resi 8 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 8 and name C1' )
( resi 8 and name C2' )
( resi 8 and name C3' )
( resi 8 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G9}
assign ( resi 9 and name C5' )
( resi 9 and name C4' )
( resi 9 and name C3' )
( resi 9 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 9 and name O4' )
( resi 9 and name C1' )
( resi 9 and name C2' )
( resi 9 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 9 and name C1' )
( resi 9 and name C2' )
( resi 9 and name C3' )
( resi 9 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G10}
assign ( resi 10 and name C5' )
( resi 10 and name C4' )
( resi 10 and name C3' )
( resi 10 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 10 and name O4' )
( resi 10 and name C1' )
( resi 10 and name C2' )
( resi 10 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 10 and name C1' )
( resi 10 and name C2' )
( resi 10 and name C3' )
( resi 10 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{U11}
assign ( resi 11 and name C5' )
( resi 11 and name C4' )
( resi 11 and name C3' )
( resi 11 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 11 and name O4' )
( resi 11 and name C1' )
( resi 11 and name C2' )
( resi 11 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 11 and name C1' )
( resi 11 and name C2' )
( resi 11 and name C3' )
( resi 11 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G12}
!assign ( resi 12 and name C5' )
! ( resi 12 and name C4' )
! ( resi 12 and name C3' )
! ( resi 12 and name O3' ) 1.0 145.0 20.0 2 {*delta*}
!assign ( resi 12 and name O4' )
! ( resi 12 and name C1' )
! ( resi 12 and name C2' )
! ( resi 12 and name C3' ) 1.0 25.0 20.0 2 {*nu1*}
!assign ( resi 12 and name C1' )
! ( resi 12 and name C2' )
! ( resi 12 and name C3' )
! ( resi 12 and name C4' ) 1.0 -35.0 20.0 2 {*nu2*}
{U13}
assign ( resi 13 and name C5' )
( resi 13 and name C4' )
( resi 13 and name C3' )
( resi 13 and name O3' ) 1.0 145.0 20.0 2 {*delta*}
assign ( resi 13 and name O4' )
( resi 13 and name C1' )
( resi 13 and name C2' )
( resi 13 and name C3' ) 1.0 25.0 20.0 2 {*nu1*}
assign ( resi 13 and name C1' )
( resi 13 and name C2' )
( resi 13 and name C3' )
( resi 13 and name C4' ) 1.0 -35.0 20.0 2 {*nu2*}
{A14}
assign ( resi 14 and name C5' )
( resi 14 and name C4' )
( resi 14 and name C3' )
( resi 14 and name O3' ) 1.0 145.0 20.0 2 {*delta*}
assign ( resi 14 and name O4' )
( resi 14 and name C1' )
( resi 14 and name C2' )
( resi 14 and name C3' ) 1.0 25.0 20.0 2 {*nu1*}
assign ( resi 14 and name C1' )
( resi 14 and name C2' )
( resi 14 and name C3' )
( resi 14 and name C4' ) 1.0 -35.0 20.0 2 {*nu2*}
{A15}
assign ( resi 15 and name C5' )
( resi 15 and name C4' )
( resi 15 and name C3' )
( resi 15 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 15 and name O4' )
( resi 15 and name C1' )
( resi 15 and name C2' )
( resi 15 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 15 and name C1' )
( resi 15 and name C2' )
( resi 15 and name C3' )
( resi 15 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{A16}
!assign ( resi 16 and name C5' )
! ( resi 16 and name C4' )
! ( resi 16 and name C3' )
! ( resi 16 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
!assign ( resi 16 and name O4' )
! ( resi 16 and name C1' )
! ( resi 16 and name C2' )
! ( resi 16 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
!assign ( resi 16 and name C1' )
! ( resi 16 and name C2' )
! ( resi 16 and name C3' )
! ( resi 16 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{C17}
assign ( resi 17 and name C5' )
( resi 17 and name C4' )
( resi 17 and name C3' )
( resi 17 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 17 and name O4' )
( resi 17 and name C1' )
( resi 17 and name C2' )
( resi 17 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 17 and name C1' )
( resi 17 and name C2' )
( resi 17 and name C3' )
( resi 17 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{C18}
assign ( resi 18 and name C5' )
( resi 18 and name C4' )
( resi 18 and name C3' )
( resi 18 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 18 and name O4' )
( resi 18 and name C1' )
( resi 18 and name C2' )
( resi 18 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 18 and name C1' )
( resi 18 and name C2' )
( resi 18 and name C3' )
( resi 18 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{U21}
assign ( resi 21 and name C5' )
( resi 21 and name C4' )
( resi 21 and name C3' )
( resi 21 and name O3' ) 1.0 145.0 20.0 2 {*delta*}
assign ( resi 21 and name O4' )
( resi 21 and name C1' )
( resi 21 and name C2' )
( resi 21 and name C3' ) 1.0 25.0 20.0 2 {*nu1*}
assign ( resi 21 and name C1' )
( resi 21 and name C2' )
( resi 21 and name C3' )
( resi 21 and name C4' ) 1.0 -35.0 20.0 2 {*nu2*}
{C22}
assign ( resi 22 and name C5' )
( resi 22 and name C4' )
( resi 22 and name C3' )
( resi 22 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 22 and name O4' )
( resi 22 and name C1' )
( resi 22 and name C2' )
( resi 22 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 22 and name C1' )
( resi 22 and name C2' )
( resi 22 and name C3' )
( resi 22 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{G23}
assign ( resi 23 and name C5' )
( resi 23 and name C4' )
( resi 23 and name C3' )
( resi 23 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 23 and name O4' )
( resi 23 and name C1' )
( resi 23 and name C2' )
( resi 23 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 23 and name C1' )
( resi 23 and name C2' )
( resi 23 and name C3' )
( resi 23 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{C24}
assign ( resi 24 and name C5' )
( resi 24 and name C4' )
( resi 24 and name C3' )
( resi 24 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 24 and name O4' )
( resi 24 and name C1' )
( resi 24 and name C2' )
( resi 24 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 24 and name C1' )
( resi 24 and name C2' )
( resi 24 and name C3' )
( resi 24 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{U25}
assign ( resi 25 and name C5' )
( resi 25 and name C4' )
( resi 25 and name C3' )
( resi 25 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 25 and name O4' )
( resi 25 and name C1' )
( resi 25 and name C2' )
( resi 25 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 25 and name C1' )
( resi 25 and name C2' )
( resi 25 and name C3' )
( resi 25 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
{C26}
assign ( resi 26 and name C5' )
( resi 26 and name C4' )
( resi 26 and name C3' )
( resi 26 and name O3' ) 1.0 85.0 20.0 2 {*delta*}
assign ( resi 26 and name O4' )
( resi 26 and name C1' )
( resi 26 and name C2' )
( resi 26 and name C3' ) 1.0 -25.0 20.0 2 {*nu1*}
assign ( resi 26 and name C1' )
( resi 26 and name C2' )
( resi 26 and name C3' )
( resi 26 and name C4' ) 1.0 37.3 20.0 2 {*nu2*}
# Restraints file 5: D6_27_thio_chiAngle.tbl
{all chi angles were set to -160 (anti), A15 was set to 60 (syn)}
assign ( resi 1 and name O4' )
( resi 1 and name C1' )
( resi 1 and name N9 )
( resi 1 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 2 and name O4' )
( resi 2 and name C1' )
( resi 2 and name N9 )
( resi 2 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 3 and name O4' )
( resi 3 and name C1' )
( resi 3 and name N9 )
( resi 3 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 4 and name O4' )
( resi 4 and name C1' )
( resi 4 and name N9 )
( resi 4 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 5 and name O4' )
( resi 5 and name C1' )
( resi 5 and name N1 )
( resi 5 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 6 and name O4' )
( resi 6 and name C1' )
( resi 6 and name N9 )
( resi 6 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 7 and name O4' )
( resi 7 and name C1' )
( resi 7 and name N9 )
( resi 7 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 8 and name O4' )
( resi 8 and name C1' )
( resi 8 and name N9 )
( resi 8 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 9 and name O4' )
( resi 9 and name C1' )
( resi 9 and name N9 )
( resi 9 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 10 and name O4' )
( resi 10 and name C1' )
( resi 10 and name N9 )
( resi 10 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 11 and name O4' )
( resi 11 and name C1' )
( resi 11 and name N1 )
( resi 11 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 12 and name O4' )
( resi 12 and name C1' )
( resi 12 and name N9 )
( resi 12 and name C4 ) 1.0 -160.0 30.0 2
assign ( resi 13 and name O4' )
( resi 13 and name C1' )
( resi 13 and name N1 )
( resi 13 and name C2 ) 1.0 -160.0 30.0 2
assign ( resi 14 and name O4' )
( resi 14 and name C1' )
( resi 14 and name N9 )
( resi 14 and name C4 ) 1.0 -160.0 30.0 2
assign ( resi 15 and name O4' )
( resi 15 and name C1' )
( resi 15 and name N9 )
( resi 15 and name C4 ) 1.0 60.0 30.0 2
assign ( resi 16 and name O4' )
( resi 16 and name C1' )
( resi 16 and name N9 )
( resi 16 and name C4 ) 1.0 -160.0 30.0 2
assign ( resi 17 and name O4' )
( resi 17 and name C1' )
( resi 17 and name N1 )
( resi 17 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 18 and name O4' )
( resi 18 and name C1' )
( resi 18 and name N1 )
( resi 18 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 19 and name O4' )
( resi 19 and name C1' )
( resi 19 and name N1 )
( resi 19 and name C2 ) 1.0 -160.0 30.0 2
assign ( resi 20 and name O4' )
( resi 20 and name C1' )
( resi 20 and name N9 )
( resi 20 and name C4 ) 1.0 -160.0 30.0 2
assign ( resi 21 and name O4' )
( resi 21 and name C1' )
( resi 21 and name N1 )
( resi 21 and name C2 ) 1.0 -160.0 30.0 2
assign ( resi 22 and name O4' )
( resi 22 and name C1' )
( resi 22 and name N1 )
( resi 22 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 23 and name O4' )
( resi 23 and name C1' )
( resi 23 and name N9 )
( resi 23 and name C4 ) 1.0 -160.0 20.0 2
assign ( resi 24 and name O4' )
( resi 24 and name C1' )
( resi 24 and name N1 )
( resi 24 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 25 and name O4' )
( resi 25 and name C1' )
( resi 25 and name N1 )
( resi 25 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 26 and name O4' )
( resi 26 and name C1' )
( resi 26 and name N1 )
( resi 26 and name C2 ) 1.0 -160.0 20.0 2
assign ( resi 27 and name O4' )
( resi 27 and name C1' )
( resi 27 and name N1 )
( resi 27 and name C2 ) 1.0 -160.0 20.0 2
# Restraints file 6: D6_27_thio_backboneDihe.tbl
{phosphate-sugar-backbone dihedral angle restraints}
{* consecutive list of A-helical backbone angles*}
{commented out: tetraloop (G12, U13, A14, A15) and bulge (U19, A20, U21)}
{G1}
assign ( resi 1 and name P )
( resi 1 and name O5' )
( resi 1 and name C5' )
( resi 1 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 1 and name O5' )
( resi 1 and name C5' )
( resi 1 and name C4' )
( resi 1 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 1 and name C4' )
( resi 1 and name C3' )
( resi 1 and name O3' )
( resi 2 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 1 and name C3' )
( resi 1 and name O3' )
( resi 2 and name P )
( resi 2 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G2}
assign ( resi 1 and name O3' )
( resi 2 and name P )
( resi 2 and name O5' )
( resi 2 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 2 and name P )
( resi 2 and name O5' )
( resi 2 and name C5' )
( resi 2 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 2 and name O5' )
( resi 2 and name C5' )
( resi 2 and name C4' )
( resi 2 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 2 and name C4' )
( resi 2 and name C3' )
( resi 2 and name O3' )
( resi 3 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 2 and name C3' )
( resi 2 and name O3' )
( resi 3 and name P )
( resi 3 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{A3}
assign ( resi 2 and name O3' )
( resi 3 and name P )
( resi 3 and name O5' )
( resi 3 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 3 and name P )
( resi 3 and name O5' )
( resi 3 and name C5' )
( resi 3 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 3 and name O5' )
( resi 3 and name C5' )
( resi 3 and name C4' )
( resi 3 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 3 and name C4' )
( resi 3 and name C3' )
( resi 3 and name O3' )
( resi 4 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 3 and name C3' )
( resi 3 and name O3' )
( resi 4 and name P )
( resi 4 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G4}
assign ( resi 3 and name O3' )
( resi 4 and name P )
( resi 4 and name O5' )
( resi 4 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 4 and name P )
( resi 4 and name O5' )
( resi 4 and name C5' )
( resi 4 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 4 and name O5' )
( resi 4 and name C5' )
( resi 4 and name C4' )
( resi 4 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 4 and name C4' )
( resi 4 and name C3' )
( resi 4 and name O3' )
( resi 5 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 4 and name C3' )
( resi 4 and name O3' )
( resi 5 and name P )
( resi 5 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{C5}
assign ( resi 4 and name O3' )
( resi 5 and name P )
( resi 5 and name O5' )
( resi 5 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 5 and name P )
( resi 5 and name O5' )
( resi 5 and name C5' )
( resi 5 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 5 and name O5' )
( resi 5 and name C5' )
( resi 5 and name C4' )
( resi 5 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 5 and name C4' )
( resi 5 and name C3' )
( resi 5 and name O3' )
( resi 6 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 5 and name C3' )
( resi 5 and name O3' )
( resi 6 and name P )
( resi 6 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G6}
assign ( resi 5 and name O3' )
( resi 6 and name P )
( resi 6 and name O5' )
( resi 6 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 6 and name P )
( resi 6 and name O5' )
( resi 6 and name C5' )
( resi 6 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 6 and name O5' )
( resi 6 and name C5' )
( resi 6 and name C4' )
( resi 6 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 6 and name C4' )
( resi 6 and name C3' )
( resi 6 and name O3' )
( resi 7 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 6 and name C3' )
( resi 6 and name O3' )
( resi 7 and name P )
( resi 7 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G7}
assign ( resi 6 and name O3' )
( resi 7 and name P )
( resi 7 and name O5' )
( resi 7 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 7 and name P )
( resi 7 and name O5' )
( resi 7 and name C5' )
( resi 7 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 7 and name O5' )
( resi 7 and name C5' )
( resi 7 and name C4' )
( resi 7 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 7 and name C4' )
( resi 7 and name C3' )
( resi 7 and name O3' )
( resi 8 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 7 and name C3' )
( resi 7 and name O3' )
( resi 8 and name P )
( resi 8 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G8}
assign ( resi 7 and name O3' )
( resi 8 and name P )
( resi 8 and name O5' )
( resi 8 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 8 and name P )
( resi 8 and name O5' )
( resi 8 and name C5' )
( resi 8 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 8 and name O5' )
( resi 8 and name C5' )
( resi 8 and name C4' )
( resi 8 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 8 and name C4' )
( resi 8 and name C3' )
( resi 8 and name O3' )
( resi 9 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 8 and name C3' )
( resi 8 and name O3' )
( resi 9 and name P )
( resi 9 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G9}
assign ( resi 8 and name O3' )
( resi 9 and name P )
( resi 9 and name O5' )
( resi 9 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 9 and name P )
( resi 9 and name O5' )
( resi 9 and name C5' )
( resi 9 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 9 and name O5' )
( resi 9 and name C5' )
( resi 9 and name C4' )
( resi 9 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 9 and name C4' )
( resi 9 and name C3' )
( resi 9 and name O3' )
( resi 10 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 9 and name C3' )
( resi 9 and name O3' )
( resi 10 and name P )
( resi 10 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G10}
assign ( resi 9 and name O3' )
( resi 10 and name P )
( resi 10 and name O5' )
( resi 10 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 10 and name P )
( resi 10 and name O5' )
( resi 10 and name C5' )
( resi 10 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 10 and name O5' )
( resi 10 and name C5' )
( resi 10 and name C4' )
( resi 10 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 10 and name C4' )
( resi 10 and name C3' )
( resi 10 and name O3' )
( resi 11 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 10 and name C3' )
( resi 10 and name O3' )
( resi 11 and name P )
( resi 11 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{U11}
assign ( resi 10 and name O3' )
( resi 11 and name P )
( resi 11 and name O5' )
( resi 11 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 11 and name P )
( resi 11 and name O5' )
( resi 11 and name C5' )
( resi 11 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 11 and name O5' )
( resi 11 and name C5' )
( resi 11 and name C4' )
( resi 11 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 11 and name C4' )
( resi 11 and name C3' )
( resi 11 and name O3' )
( resi 12 and name P ) 1.0 -153 40.0 2 {*epsilon*}
assign ( resi 11 and name C3' )
( resi 11 and name O3' )
( resi 12 and name P )
( resi 12 and name O5' ) 1.0 -71 40.0 2 {*zeta*}
{G12}
assign ( resi 11 and name O3' )
( resi 12 and name P )
( resi 12 and name O5' )
( resi 12 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 12 and name P )
! ( resi 12 and name O5' )
! ( resi 12 and name C5' )
! ( resi 12 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 12 and name O5' )
! ( resi 12 and name C5' )
! ( resi 12 and name C4' )
! ( resi 12 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 12 and name C4' )
( resi 12 and name C3' )
( resi 12 and name O3' )
( resi 13 and name P ) 1.0 -153 40.0 2 {*epsilon*}
assign ( resi 12 and name C3' )
( resi 12 and name O3' )
( resi 13 and name P )
( resi 13 and name O5' ) 1.0 0 120.0 2 {*zeta*}
{U13}
assign ( resi 12 and name O3' )
( resi 13 and name P )
( resi 13 and name O5' )
( resi 13 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 13 and name P )
! ( resi 13 and name O5' )
! ( resi 13 and name C5' )
! ( resi 13 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 13 and name O5' )
! ( resi 13 and name C5' )
! ( resi 13 and name C4' )
! ( resi 13 and name C3' ) 1.0 54 10.0 2 {*gamma*}
!assign ( resi 13 and name C4' )
! ( resi 13 and name C3' )
! ( resi 13 and name O3' )
! ( resi 14 and name P ) 1.0 -100 0.0 2 {*epsilon*}
assign ( resi 13 and name C3' )
( resi 13 and name O3' )
( resi 14 and name P )
( resi 14 and name O5' ) 1.0 0 120.0 2 {*zeta*}
{A14}
assign ( resi 13 and name O3' )
( resi 14 and name P )
( resi 14 and name O5' )
( resi 14 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 14 and name P )
! ( resi 14 and name O5' )
! ( resi 14 and name C5' )
! ( resi 14 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 14 and name O5' )
! ( resi 14 and name C5' )
! ( resi 14 and name C4' )
! ( resi 14 and name C3' ) 1.0 54 10.0 2 {*gamma*}
!assign ( resi 14 and name C4' )
! ( resi 14 and name C3' )
! ( resi 14 and name O3' )
! ( resi 15 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 14 and name C3' )
( resi 14 and name O3' )
( resi 15 and name P )
( resi 15 and name O5' ) 1.0 0 120.0 2 {*zeta*}
{A15}
assign ( resi 14 and name O3' )
( resi 15 and name P )
( resi 15 and name O5' )
( resi 15 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 15 and name P )
! ( resi 15 and name O5' )
! ( resi 15 and name C5' )
! ( resi 15 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 15 and name O5' )
! ( resi 15 and name C5' )
! ( resi 15 and name C4' )
! ( resi 15 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 15 and name C4' )
( resi 15 and name C3' )
( resi 15 and name O3' )
( resi 16 and name P ) 1.0 -153 40.0 2 {*epsilon*}
assign ( resi 15 and name C3' )
( resi 15 and name O3' )
( resi 16 and name P )
( resi 16 and name O5' ) 1.0 0 120.0 2 {*zeta*}
{A16}
assign ( resi 15 and name O3' )
( resi 16 and name P )
( resi 16 and name O5' )
( resi 16 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 16 and name P )
! ( resi 16 and name O5' )
! ( resi 16 and name C5' )
! ( resi 16 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 16 and name O5' )
! ( resi 16 and name C5' )
! ( resi 16 and name C4' )
! ( resi 16 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 16 and name C4' )
( resi 16 and name C3' )
( resi 16 and name O3' )
( resi 17 and name P ) 1.0 -153 40.0 2 {*epsilon*}
assign ( resi 16 and name C3' )
( resi 16 and name O3' )
( resi 17 and name P )
( resi 17 and name O5' ) 1.0 -71 40.0 2 {*zeta*}
{C17}
assign ( resi 16 and name O3' )
( resi 17 and name P )
( resi 17 and name O5' )
( resi 17 and name C5' ) 1.0 -68 40.0 2 {*alpha*}
assign ( resi 17 and name P )
( resi 17 and name O5' )
( resi 17 and name C5' )
( resi 17 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 17 and name O5' )
( resi 17 and name C5' )
( resi 17 and name C4' )
( resi 17 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 17 and name C4' )
( resi 17 and name C3' )
( resi 17 and name O3' )
( resi 18 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 17 and name C3' )
( resi 17 and name O3' )
( resi 18 and name P )
( resi 18 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{C18}
assign ( resi 17 and name O3' )
( resi 18 and name P )
( resi 18 and name O5' )
( resi 18 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 18 and name P )
( resi 18 and name O5' )
( resi 18 and name C5' )
( resi 18 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 18 and name O5' )
( resi 18 and name C5' )
( resi 18 and name C4' )
( resi 18 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 18 and name C4' )
( resi 18 and name C3' )
( resi 18 and name O3' )
( resi 19 and name P ) 1.0 -153 40.0 2 {*epsilon*}
assign ( resi 18 and name C3' )
( resi 18 and name O3' )
( resi 19 and name P )
( resi 19 and name O5' ) 1.0 -71 40.0 2 {*zeta*}
{U19}
assign ( resi 18 and name O3' )
( resi 19 and name P )
( resi 19 and name O5' )
( resi 19 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 19 and name P )
! ( resi 19 and name O5' )
! ( resi 19 and name C5' )
! ( resi 19 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 19 and name O5' )
! ( resi 19 and name C5' )
! ( resi 19 and name C4' )
! ( resi 19 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 19 and name C4' )
( resi 19 and name C3' )
( resi 19 and name O3' )
( resi 20 and name P ) 1.0 -153 40.0 2 {*epsilon*}
assign ( resi 19 and name C3' )
( resi 19 and name O3' )
( resi 20 and name P )
( resi 20 and name O5' ) 1.0 0 120.0 2 {*zeta*}
{A20}
assign ( resi 19 and name O3' )
( resi 20 and name P )
( resi 20 and name O5' )
( resi 20 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 20 and name P )
! ( resi 20 and name O5' )
! ( resi 20 and name C5' )
! ( resi 20 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 20 and name O5' )
! ( resi 20 and name C5' )
! ( resi 20 and name C4' )
! ( resi 20 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 20 and name C4' )
( resi 20 and name C3' )
( resi 20 and name O3' )
( resi 21 and name P ) 1.0 -153 40.0 2 {*epsilon*}
assign ( resi 20 and name C3' )
( resi 20 and name O3' )
( resi 21 and name P )
( resi 21 and name O5' ) 1.0 0 120.0 2 {*zeta*}
{U21}
assign ( resi 20 and name O3' )
( resi 21 and name P )
( resi 21 and name O5' )
( resi 21 and name C5' ) 1.0 0 120.0 2 {*alpha*}
!assign ( resi 21 and name P )
! ( resi 21 and name O5' )
! ( resi 21 and name C5' )
! ( resi 21 and name C4' ) 1.0 178 10.0 2 {*beta*}
!assign ( resi 21 and name O5' )
! ( resi 21 and name C5' )
! ( resi 21 and name C4' )
! ( resi 21 and name C3' ) 1.0 54 10.0 2 {*gamma*}
!assign ( resi 21 and name C4' )
! ( resi 21 and name C3' )
! ( resi 21 and name O3' )
! ( resi 22 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 21 and name C3' )
( resi 21 and name O3' )
( resi 22 and name P )
( resi 22 and name O5' ) 1.0 0 120.0 2 {*zeta*}
{C22}
assign ( resi 21 and name O3' )
( resi 22 and name P )
( resi 22 and name O5' )
( resi 22 and name C5' ) 1.0 -68 40.0 2 {*alpha*}
assign ( resi 22 and name P )
( resi 22 and name O5' )
( resi 22 and name C5' )
( resi 22 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 22 and name O5' )
( resi 22 and name C5' )
( resi 22 and name C4' )
( resi 22 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 22 and name C4' )
( resi 22 and name C3' )
( resi 22 and name O3' )
( resi 23 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 22 and name C3' )
( resi 22 and name O3' )
( resi 23 and name P )
( resi 23 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{G23}
assign ( resi 22 and name O3' )
( resi 23 and name P )
( resi 23 and name O5' )
( resi 23 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 23 and name P )
( resi 23 and name O5' )
( resi 23 and name C5' )
( resi 23 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 23 and name O5' )
( resi 23 and name C5' )
( resi 23 and name C4' )
( resi 23 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 23 and name C3' )
( resi 23 and name O3' )
( resi 24 and name P )
( resi 24 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{C24}
assign ( resi 23 and name O3' )
( resi 24 and name P )
( resi 24 and name O5' )
( resi 24 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 24 and name P )
( resi 24 and name O5' )
( resi 24 and name C5' )
( resi 24 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 24 and name O5' )
( resi 24 and name C5' )
( resi 24 and name C4' )
( resi 24 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 24 and name C4' )
( resi 24 and name C3' )
( resi 24 and name O3' )
( resi 25 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 24 and name C3' )
( resi 24 and name O3' )
( resi 25 and name P )
( resi 25 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{U25}
assign ( resi 24 and name O3' )
( resi 25 and name P )
( resi 25 and name O5' )
( resi 25 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 25 and name P )
( resi 25 and name O5' )
( resi 25 and name C5' )
( resi 25 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 25 and name O5' )
( resi 25 and name C5' )
( resi 25 and name C4' )
( resi 25 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 25 and name C4' )
( resi 25 and name C3' )
( resi 25 and name O3' )
( resi 26 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 25 and name C3' )
( resi 25 and name O3' )
( resi 26 and name P )
( resi 26 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{C26}
assign ( resi 25 and name O3' )
( resi 26 and name P )
( resi 26 and name O5' )
( resi 26 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 26 and name P )
( resi 26 and name O5' )
( resi 26 and name C5' )
( resi 26 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 26 and name O5' )
( resi 26 and name C5' )
( resi 26 and name C4' )
( resi 26 and name C3' ) 1.0 54 10.0 2 {*gamma*}
assign ( resi 26 and name C4' )
( resi 26 and name C3' )
( resi 26 and name O3' )
( resi 27 and name P ) 1.0 -153 10.0 2 {*epsilon*}
assign ( resi 26 and name C3' )
( resi 26 and name O3' )
( resi 27 and name P )
( resi 27 and name O5' ) 1.0 -71 10.0 2 {*zeta*}
{C27}
assign ( resi 26 and name O3' )
( resi 27 and name P )
( resi 27 and name O5' )
( resi 27 and name C5' ) 1.0 -68 10.0 2 {*alpha*}
assign ( resi 27 and name P )
( resi 27 and name O5' )
( resi 27 and name C5' )
( resi 27 and name C4' ) 1.0 178 10.0 2 {*beta*}
assign ( resi 27 and name O5' )
( resi 27 and name C5' )
( resi 27 and name C4' )
( resi 27 and name C3' ) 1.0 54.0 10.0 2 {*gamma*}
Contact the webmaster for help, if required. Monday, May 13, 2024 6:59:44 AM GMT (wattos1)