NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
526889 |
2ldl   |
17671 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! NOE Restraint File for ESS3
! Created by BT and CM 07.19.10
!
! Strong bin ( 1.8 - 3.0 A )
! Medium bin ( 2.5 - 4.5 A )
! Weak bin ( 3.5 - 6.0 A )
!
!-------------------------------------------------------
!-------------------------------------------------------
! Stem Intra-residue restraints (120)
!
! Gua 1
assign (resid 1 and name H8)
(resid 1 and name H1') 3.5 1.0 1.0
assign (resid 1 and name H8)
(resid 1 and name H2') 3.5 1.0 1.0
assign (resid 1 and name H8)
(resid 1 and name H3') 3.5 1.0 1.0
assign (resid 1 and name H8)
(resid 1 and name H4') 3.5 1.0 1.0
assign (resid 1 and name H8)
(resid 1 and name H5') 3.5 1.0 1.0
assign (resid 1 and name H1')
(resid 1 and name H5') 4.75 1.25 1.25
! Gua 2
assign (resid 2 and name H8)
(resid 2 and name H1') 3.5 1.0 1.0
assign (resid 2 and name H8)
(resid 2 and name H2') 3.5 1.0 1.0
assign (resid 2 and name H8)
(resid 2 and name H3') 3.5 1.0 1.0
assign (resid 2 and name H8)
(resid 2 and name H4') 3.5 1.0 1.0
assign (resid 2 and name H8)
(resid 2 and name H5') 3.5 1.0 1.0
assign (resid 2 and name H1')
(resid 2 and name H5') 4.75 1.25 1.25
! Ade 3
assign (resid 3 and name H8)
(resid 3 and name H1') 3.5 1.0 1.0
assign (resid 3 and name H8)
(resid 3 and name H2') 3.5 1.0 1.0
assign (resid 3 and name H8)
(resid 3 and name H3') 3.5 1.0 1.0
assign (resid 3 and name H8)
(resid 3 and name H4') 3.5 1.0 1.0
assign (resid 3 and name H8)
(resid 3 and name H5') 3.5 1.0 1.0
assign (resid 3 and name H1')
(resid 3 and name H5') 4.75 1.25 1.25
! Ura 4
assign (resid 4 and name H6)
(resid 4 and name H1') 3.5 1.0 1.0
assign (resid 4 and name H6)
(resid 4 and name H2') 3.5 1.0 1.0
assign (resid 4 and name H6)
(resid 4 and name H3') 3.5 1.0 1.0
assign (resid 4 and name H6)
(resid 4 and name H4') 3.5 1.0 1.0
assign (resid 4 and name H6)
(resid 4 and name H5') 3.5 1.0 1.0
assign (resid 4 and name H1')
(resid 4 and name H5') 4.75 1.25 1.25
! Cyt 5
assign (resid 5 and name H6)
(resid 5 and name H1') 3.5 1.0 1.0
assign (resid 5 and name H6)
(resid 5 and name H2') 3.5 1.0 1.0
assign (resid 5 and name H6)
(resid 5 and name H3') 3.5 1.0 1.0
assign (resid 5 and name H6)
(resid 5 and name H4') 3.5 1.0 1.0
assign (resid 5 and name H6)
(resid 5 and name H5') 3.5 1.0 1.0
assign (resid 5 and name H1')
(resid 5 and name H5') 4.75 1.25 1.25
! Cyt 6
assign (resid 6 and name H6)
(resid 6 and name H1') 3.5 1.0 1.0
assign (resid 6 and name H6)
(resid 6 and name H2') 3.5 1.0 1.0
assign (resid 6 and name H6)
(resid 6 and name H3') 3.5 1.0 1.0
assign (resid 6 and name H6)
(resid 6 and name H4') 3.5 1.0 1.0
assign (resid 6 and name H6)
(resid 6 and name H5') 3.5 1.0 1.0
assign (resid 6 and name H1')
(resid 6 and name H5') 4.75 1.25 1.25
! Ade 7
assign (resid 7 and name H8)
(resid 7 and name H1') 3.5 1.0 1.0
assign (resid 7 and name H8)
(resid 7 and name H2') 3.5 1.0 1.0
assign (resid 7 and name H8)
(resid 7 and name H3') 3.5 1.0 1.0
assign (resid 7 and name H8)
(resid 7 and name H4') 3.5 1.0 1.0
assign (resid 7 and name H8)
(resid 7 and name H5') 3.5 1.0 1.0
assign (resid 7 and name H1')
(resid 7 and name H5') 4.75 1.25 1.25
! Ura 8
assign (resid 8 and name H6)
(resid 8 and name H1') 3.5 1.0 1.0
assign (resid 8 and name H6)
(resid 8 and name H2') 3.5 1.0 1.0
assign (resid 8 and name H6)
(resid 8 and name H3') 3.5 1.0 1.0
assign (resid 8 and name H6)
(resid 8 and name H4') 3.5 1.0 1.0
assign (resid 8 and name H6)
(resid 8 and name H5') 3.5 1.0 1.0
assign (resid 8 and name H1')
(resid 8 and name H5') 4.75 1.25 1.25
! Ura 9
assign (resid 9 and name H6)
(resid 9 and name H1') 3.5 1.0 1.0
assign (resid 9 and name H6)
(resid 9 and name H2') 3.5 1.0 1.0
assign (resid 9 and name H6)
(resid 9 and name H3') 3.5 1.0 1.0
assign (resid 9 and name H6)
(resid 9 and name H4') 3.5 1.0 1.0
assign (resid 9 and name H6)
(resid 9 and name H5') 3.5 1.0 1.0
assign (resid 9 and name H1')
(resid 9 and name H5') 4.75 1.25 1.25
! Cyt 10
assign (resid 10 and name H6)
(resid 10 and name H1') 3.5 1.0 1.0
assign (resid 10 and name H6)
(resid 10 and name H2') 3.5 1.0 1.0
assign (resid 10 and name H6)
(resid 10 and name H3') 3.5 1.0 1.0
assign (resid 10 and name H6)
(resid 10 and name H4') 3.5 1.0 1.0
assign (resid 10 and name H6)
(resid 10 and name H5') 3.5 1.0 1.0
assign (resid 10 and name H1')
(resid 10 and name H5') 4.75 1.25 1.25
! Gua 18
assign (resid 18 and name H8)
(resid 18 and name H1') 3.5 1.0 1.0
assign (resid 18 and name H8)
(resid 18 and name H2') 3.5 1.0 1.0
assign (resid 18 and name H8)
(resid 18 and name H3') 3.5 1.0 1.0
assign (resid 18 and name H8)
(resid 18 and name H4') 3.5 1.0 1.0
assign (resid 18 and name H8)
(resid 18 and name H5') 3.5 1.0 1.0
assign (resid 18 and name H1')
(resid 18 and name H5') 4.75 1.25 1.25
! Ade 19
assign (resid 19 and name H8)
(resid 19 and name H1') 3.5 1.0 1.0
assign (resid 19 and name H8)
(resid 19 and name H2') 3.5 1.0 1.0
assign (resid 19 and name H8)
(resid 19 and name H3') 3.5 1.0 1.0
assign (resid 19 and name H8)
(resid 19 and name H4') 3.5 1.0 1.0
assign (resid 19 and name H8)
(resid 19 and name H5') 3.5 1.0 1.0
assign (resid 19 and name H1')
(resid 19 and name H5') 4.75 1.25 1.25
! Ade 20
assign (resid 20 and name H8)
(resid 20 and name H1') 3.5 1.0 1.0
assign (resid 20 and name H8)
(resid 20 and name H2') 3.5 1.0 1.0
assign (resid 20 and name H8)
(resid 20 and name H3') 3.5 1.0 1.0
assign (resid 20 and name H8)
(resid 20 and name H4') 3.5 1.0 1.0
assign (resid 20 and name H8)
(resid 20 and name H5') 3.5 1.0 1.0
assign (resid 20 and name H1')
(resid 20 and name H5') 4.75 1.25 1.25
! Cyt 21
assign (resid 21 and name H6)
(resid 21 and name H1') 3.5 1.0 1.0
assign (resid 21 and name H6)
(resid 21 and name H2') 3.5 1.0 1.0
assign (resid 21 and name H6)
(resid 21 and name H3') 3.5 1.0 1.0
assign (resid 21 and name H6)
(resid 21 and name H4') 3.5 1.0 1.0
assign (resid 21 and name H1')
(resid 21 and name H5') 4.75 1.25 1.25
! Gua 22
assign (resid 22 and name H8)
(resid 22 and name H1') 3.5 1.0 1.0
assign (resid 22 and name H8)
(resid 22 and name H2') 3.5 1.0 1.0
assign (resid 22 and name H8)
(resid 22 and name H3') 3.5 1.0 1.0
assign (resid 22 and name H8)
(resid 22 and name H4') 3.5 1.0 1.0
assign (resid 22 and name H8)
(resid 22 and name H5') 3.5 1.0 1.0
assign (resid 22 and name H1')
(resid 22 and name H5') 4.75 1.25 1.25
! Gua 23
assign (resid 23 and name H8)
(resid 23 and name H1') 3.5 1.0 1.0
assign (resid 23 and name H8)
(resid 23 and name H2') 3.5 1.0 1.0
assign (resid 23 and name H8)
(resid 23 and name H3') 3.5 1.0 1.0
assign (resid 23 and name H8)
(resid 23 and name H4') 3.5 1.0 1.0
assign (resid 23 and name H8)
(resid 23 and name H5') 3.5 1.0 1.0
assign (resid 23 and name H1')
(resid 23 and name H5') 4.75 1.25 1.25
! Ade 24
assign (resid 24 and name H8)
(resid 24 and name H1') 3.5 1.0 1.0
assign (resid 24 and name H8)
(resid 24 and name H2') 3.5 1.0 1.0
assign (resid 24 and name H8)
(resid 24 and name H3') 3.5 1.0 1.0
assign (resid 24 and name H8)
(resid 24 and name H4') 3.5 1.0 1.0
assign (resid 24 and name H8)
(resid 24 and name H5') 3.5 1.0 1.0
assign (resid 24 and name H1')
(resid 24 and name H5') 4.75 1.25 1.25
! Ura 25
assign (resid 25 and name H6)
(resid 25 and name H1') 3.5 1.0 1.0
assign (resid 25 and name H6)
(resid 25 and name H2') 3.5 1.0 1.0
assign (resid 25 and name H6)
(resid 25 and name H3') 3.5 1.0 1.0
assign (resid 25 and name H6)
(resid 25 and name H4') 3.5 1.0 1.0
assign (resid 25 and name H6)
(resid 25 and name H5') 3.5 1.0 1.0
assign (resid 25 and name H1')
(resid 25 and name H5') 4.75 1.25 1.25
! Cyt 26
assign (resid 26 and name H6)
(resid 26 and name H1') 3.5 1.0 1.0
assign (resid 26 and name H6)
(resid 26 and name H2') 3.5 1.0 1.0
assign (resid 26 and name H6)
(resid 26 and name H3') 3.5 1.0 1.0
assign (resid 26 and name H6)
(resid 26 and name H4') 3.5 1.0 1.0
assign (resid 26 and name H6)
(resid 26 and name H5') 3.5 1.0 1.0
assign (resid 26 and name H1')
(resid 26 and name H5') 4.75 1.25 1.25
! Cyt 27
assign (resid 27 and name H6)
(resid 27 and name H1') 3.5 1.0 1.0
assign (resid 27 and name H6)
(resid 27 and name H2') 3.5 1.0 1.0
assign (resid 27 and name H6)
(resid 27 and name H3') 3.5 1.0 1.0
assign (resid 27 and name H6)
(resid 27 and name H4') 3.5 1.0 1.0
assign (resid 27 and name H6)
(resid 27 and name H5') 3.5 1.0 1.0
assign (resid 27 and name H1')
(resid 27 and name H5') 4.75 1.25 1.25
!-------------------------------------------
! Stem Inter-residue restraints (130 restraints)
! Gua 1 to Gua 2 (7)
assign (resid 1 and name H1')
(resid 2 and name H8) 3.5 1.0 1.0
assign (resid 1 and name H2')
(resid 2 and name H8) 2.4 0.6 0.6
assign (resid 1 and name H3')
(resid 2 and name H8) 3.5 1.0 1.0
assign (resid 1 and name H4')
(resid 2 and name H8) 4.75 1.25 1.25
assign (resid 1 and name H8)
(resid 2 and name H8) 3.5 1.0 1.0
assign (resid 1 and name H2')
(resid 2 and name H1') 3.5 1.0 1.0
assign (resid 1 and name H2')
(resid 2 and name H5') 3.5 1.0 1.0
assign (resid 1 and name O2')
(resid 2 and name H5') 3.5 1.5 1.0
! Gua 2 to Ade 3 (7)
assign (resid 2 and name H1')
(resid 3 and name H8) 3.5 1.0 1.0
assign (resid 2 and name H2')
(resid 3 and name H8) 2.4 0.6 0.6
assign (resid 2 and name H3')
(resid 3 and name H8) 3.5 1.0 1.0
assign (resid 2 and name H4')
(resid 3 and name H8) 4.75 1.25 1.25
assign (resid 2 and name H8)
(resid 3 and name H8) 3.5 1.0 1.0
assign (resid 2 and name H2')
(resid 3 and name H1') 3.5 1.0 1.0
assign (resid 2 and name H2')
(resid 3 and name H5') 3.5 1.0 1.0
assign (resid 2 and name O2')
(resid 3 and name H5') 3.5 1.5 1.0
! Ade 3 to Ura 4 (9)
assign (resid 3 and name H1')
(resid 4 and name H6) 3.5 1.0 1.0
assign (resid 3 and name H2')
(resid 4 and name H6) 2.4 0.6 0.6
assign (resid 3 and name H3')
(resid 4 and name H6) 3.5 1.0 1.0
assign (resid 3 and name H4')
(resid 4 and name H6) 4.75 1.25 1.25
assign (resid 3 and name H8)
(resid 4 and name H6) 3.5 1.0 1.0
assign (resid 3 and name H8)
(resid 4 and name H5) 3.5 1.0 1.0
assign (resid 3 and name H1')
(resid 4 and name H5) 4.75 1.25 1.25
assign (resid 3 and name H2')
(resid 4 and name H1') 3.5 1.0 1.0
assign (resid 3 and name H2')
(resid 4 and name H5') 3.5 1.0 1.0
assign (resid 3 and name O2')
(resid 4 and name H5') 3.5 1.5 1.0
! Ura 4 to Cyt 5 (8)
assign (resid 4 and name H1')
(resid 5 and name H6) 3.5 1.0 1.0
assign (resid 4 and name H2')
(resid 5 and name H6) 2.4 0.6 0.6
assign (resid 4 and name H3')
(resid 5 and name H6) 3.5 1.0 1.0
assign (resid 4 and name H4')
(resid 5 and name H6) 4.75 1.25 1.25
assign (resid 4 and name H6)
(resid 5 and name H6) 3.5 1.0 1.0
assign (resid 4 and name H1')
(resid 5 and name H5) 4.75 1.25 1.25
assign (resid 4 and name H2')
(resid 5 and name H1') 3.5 1.0 1.0
assign (resid 4 and name H2')
(resid 5 and name H5') 3.5 1.0 1.0
assign (resid 4 and name O2')
(resid 5 and name H5') 3.5 1.5 1.0
! Cyt 5 to Cyt 6 (7)
assign (resid 5 and name H1')
(resid 6 and name H6) 3.5 1.0 1.0
assign (resid 5 and name H2')
(resid 6 and name H6) 2.4 0.6 0.6
assign (resid 5 and name H3')
(resid 6 and name H6) 3.5 1.0 1.0
assign (resid 5 and name H4')
(resid 6 and name H6) 4.75 1.25 1.25
assign (resid 5 and name H6)
(resid 6 and name H6) 3.5 1.0 1.0
assign (resid 5 and name H2')
(resid 6 and name H1') 3.5 1.0 1.0
assign (resid 5 and name H2')
(resid 6 and name H5') 3.5 1.0 1.0
assign (resid 5 and name O2')
(resid 6 and name H5') 3.5 1.5 1.0
! Cyt 6 to Ade 7 (7)
assign (resid 6 and name H1')
(resid 7 and name H8) 3.5 1.0 1.0
assign (resid 6 and name H2')
(resid 7 and name H8) 2.4 0.6 0.6
assign (resid 6 and name H3')
(resid 7 and name H8) 3.5 1.0 1.0
assign (resid 6 and name H4')
(resid 7 and name H8) 4.75 1.25 1.25
assign (resid 6 and name H6)
(resid 7 and name H8) 3.5 1.0 1.0
assign (resid 6 and name H2')
(resid 7 and name H1') 3.5 1.0 1.0
assign (resid 6 and name H2')
(resid 7 and name H5') 3.5 1.0 1.0
assign (resid 6 and name O2')
(resid 7 and name H5') 3.5 1.5 1.0
! Ade 7 to Ura 8 (9)
assign (resid 7 and name H1')
(resid 8 and name H6) 3.5 1.0 1.0
assign (resid 7 and name H2')
(resid 8 and name H6) 2.4 0.6 0.6
assign (resid 7 and name H3')
(resid 8 and name H6) 3.5 1.0 1.0
assign (resid 7 and name H4')
(resid 8 and name H6) 4.75 1.25 1.25
assign (resid 7 and name H8)
(resid 8 and name H6) 3.5 1.0 1.0
assign (resid 7 and name H8)
(resid 8 and name H5) 3.5 1.0 1.0
assign (resid 7 and name H1')
(resid 8 and name H5) 4.75 1.25 1.25
assign (resid 7 and name H2')
(resid 8 and name H1') 3.5 1.0 1.0
assign (resid 7 and name H2')
(resid 8 and name H5') 3.5 1.0 1.0
assign (resid 7 and name O2')
(resid 8 and name H5') 3.5 1.5 1.0
! Ura 8 to Ura 9 (8)
assign (resid 8 and name H1')
(resid 9 and name H6) 3.5 1.0 1.0
assign (resid 8 and name H2')
(resid 9 and name H6) 2.4 0.6 0.6
assign (resid 8 and name H3')
(resid 9 and name H6) 3.5 1.0 1.0
assign (resid 8 and name H4')
(resid 9 and name H6) 4.75 1.25 1.25
assign (resid 8 and name H6)
(resid 9 and name H6) 3.5 1.0 1.0
assign (resid 8 and name H2')
(resid 9 and name H5) 3.5 1.0 1.0
assign (resid 8 and name H2')
(resid 9 and name H1') 3.5 1.0 1.0
assign (resid 8 and name H2')
(resid 9 and name H5') 3.5 1.0 1.0
assign (resid 8 and name O2')
(resid 9 and name H5') 3.5 1.5 1.0
! Ura 9 to Cyt 10 (5)
assign (resid 9 and name H1')
(resid 10 and name H6) 3.5 1.0 1.0
assign (resid 9 and name H2')
(resid 10 and name H6) 2.4 0.6 0.6
assign (resid 9 and name H3')
(resid 10 and name H6) 3.5 1.0 1.0
assign (resid 9 and name H4')
(resid 10 and name H6) 4.75 1.25 1.25
assign (resid 9 and name H6)
(resid 10 and name H6) 3.5 1.0 1.0
! Gua 18 to Ade 19 (7)
assign (resid 18 and name H1')
(resid 19 and name H8) 3.5 1.0 1.0
assign (resid 18 and name H2')
(resid 19 and name H8) 2.4 0.6 0.6
assign (resid 18 and name H3')
(resid 19 and name H8) 3.5 1.0 1.0
assign (resid 18 and name H4')
(resid 19 and name H8) 4.75 1.25 1.25
assign (resid 18 and name H8)
(resid 19 and name H8) 3.5 1.0 1.0
assign (resid 18 and name H2')
(resid 19 and name H1') 3.5 1.0 1.0
assign (resid 18 and name H2')
(resid 19 and name H5') 3.5 1.0 1.0
assign (resid 18 and name O2')
(resid 19 and name H5') 3.5 1.5 1.0
! Ade 19 to Ade 20 (5)
assign (resid 19 and name H1')
(resid 20 and name H8) 3.5 1.0 1.0
assign (resid 19 and name H2')
(resid 20 and name H8) 2.4 0.6 0.6
assign (resid 19 and name H3')
(resid 20 and name H8) 3.5 1.0 1.0
assign (resid 19 and name H4')
(resid 20 and name H8) 4.75 1.25 1.25
assign (resid 19 and name H8)
(resid 20 and name H8) 3.5 1.0 1.0
! Ade 20 to Cyt 21 (11)
assign (resid 20 and name H1')
(resid 21 and name H6) 3.5 1.0 1.0 !adjusted upper b/c AC
assign (resid 20 and name H2')
(resid 21 and name H6) 2.4 0.6 0.6
assign (resid 20 and name H3')
(resid 21 and name H6) 3.5 1.0 1.0
assign (resid 20 and name H4')
(resid 21 and name H6) 4.75 1.25 1.25
assign (resid 20 and name H8)
(resid 21 and name H6) 3.5 1.0 1.0
assign (resid 20 and name H8)
(resid 21 and name H5) 3.5 1.0 1.0
assign (resid 20 and name H1')
(resid 21 and name H5) 4.75 1.25 1.25
assign (resid 20 and name H2')
(resid 21 and name H5) 3.5 1.0 1.0
assign (resid 20 and name H3')
(resid 21 and name H5) 3.5 1.0 1.0
assign (resid 20 and name H2')
(resid 21 and name H1') 3.5 1.0 1.0
assign (resid 20 and name H2')
(resid 21 and name H5') 3.5 1.0 1.0
assign (resid 20 and name O2')
(resid 21 and name H5') 3.5 1.5 1.0
! Cyt 21 to Gua 22 (5)
assign (resid 21 and name H1')
(resid 22 and name H8) 3.5 1.0 1.0
assign (resid 21 and name H2')
(resid 22 and name H8) 2.4 0.6 0.6
assign (resid 21 and name H3')
(resid 22 and name H8) 3.5 1.0 1.0
assign (resid 21 and name H4')
(resid 22 and name H8) 4.75 1.25 1.25
assign (resid 21 and name H6)
(resid 22 and name H8) 3.5 1.0 1.0 !adjusted upper next to AC
! Gua 22 to Gua 23 (7)
assign (resid 22 and name H1')
(resid 23 and name H8) 3.5 1.0 1.0
assign (resid 22 and name H2')
(resid 23 and name H8) 2.4 0.6 0.6
assign (resid 22 and name H3')
(resid 23 and name H8) 3.5 1.0 1.0
assign (resid 22 and name H4')
(resid 23 and name H8) 4.75 1.25 1.25
assign (resid 22 and name H8)
(resid 23 and name H8) 3.5 1.0 1.0
assign (resid 22 and name H2')
(resid 23 and name H1') 3.5 1.0 1.0
assign (resid 22 and name H2')
(resid 23 and name H5') 3.5 1.0 1.0
assign (resid 22 and name O2')
(resid 23 and name H5') 3.5 1.5 1.0
! Gua 23 to Ade 24 (7)
assign (resid 23 and name H1')
(resid 24 and name H8) 3.5 1.0 1.0
assign (resid 23 and name H2')
(resid 24 and name H8) 2.4 0.6 0.6
assign (resid 23 and name H3')
(resid 24 and name H8) 3.5 1.0 1.0
assign (resid 23 and name H4')
(resid 24 and name H8) 4.75 1.25 1.25
assign (resid 23 and name H8)
(resid 24 and name H8) 3.5 1.0 1.0
assign (resid 23 and name H2')
(resid 24 and name H1') 3.5 1.0 1.0
assign (resid 23 and name H2')
(resid 24 and name H5') 3.5 1.0 1.0
assign (resid 23 and name O2')
(resid 24 and name H5') 3.5 1.5 1.0
! Ade 24 to Ura 25 (9)
assign (resid 24 and name H1')
(resid 25 and name H6) 3.5 1.0 1.0
assign (resid 24 and name H2')
(resid 25 and name H6) 2.4 0.6 0.6
assign (resid 24 and name H3')
(resid 25 and name H6) 3.5 1.0 1.0
assign (resid 24 and name H4')
(resid 25 and name H6) 4.75 1.25 1.25
assign (resid 24 and name H8)
(resid 25 and name H6) 3.5 1.0 1.0
assign (resid 24 and name H8)
(resid 25 and name H5) 3.5 1.0 1.0
assign (resid 24 and name H1')
(resid 25 and name H5) 4.75 1.25 1.25
assign (resid 24 and name H2')
(resid 25 and name H1') 3.5 1.0 1.0
assign (resid 24 and name H2')
(resid 25 and name H5') 3.5 1.0 1.0
assign (resid 24 and name O2')
(resid 25 and name H5') 3.5 1.5 1.0
! Ura 25 to Cyt 26 (5)
assign (resid 25 and name H1')
(resid 26 and name H6) 3.5 1.0 1.0
assign (resid 25 and name H2')
(resid 26 and name H6) 2.4 0.6 0.6
assign (resid 25 and name H3')
(resid 26 and name H6) 3.5 1.0 1.0
assign (resid 25 and name H4')
(resid 26 and name H6) 4.75 1.25 1.25
assign (resid 25 and name H6)
(resid 26 and name H6) 3.5 1.0 1.0
! Cyt 26 to Cyt 27 (7)
assign (resid 26 and name H1')
(resid 27 and name H6) 3.5 1.0 1.0
assign (resid 26 and name H2')
(resid 27 and name H6) 2.4 0.6 0.6
assign (resid 26 and name H3')
(resid 27 and name H6) 3.5 1.0 1.0
assign (resid 26 and name H4')
(resid 27 and name H6) 4.75 1.25 1.25
assign (resid 26 and name H6)
(resid 27 and name H6) 3.5 1.0 1.0
assign (resid 26 and name H2')
(resid 27 and name H1') 3.5 1.0 1.0
assign (resid 26 and name H2')
(resid 27 and name H5') 3.5 1.0 1.0
assign (resid 26 and name O2')
(resid 27 and name H5') 3.5 1.5 1.0
!-----------------------------------------
!Stem Ade H2 restraints (17)
! A3 (3)
assign (resid 3 and name H2)
(resid 3 and name H1') 3.5 1.0 1.0
assign (resid 3 and name H2)
(resid 4 and name H1') 3.5 1.0 1.0
assign (resid 3 and name H2)
(resid 26 and name H1') 3.5 1.0 1.0
! A7 (4)
assign (resid 7 and name H2)
(resid 7 and name H1') 3.5 1.0 1.0
assign (resid 7 and name H2)
(resid 8 and name H1') 3.5 1.0 1.0
assign (resid 7 and name H2)
(resid 22 and name H1') 3.5 1.0 1.0
assign (resid 7 and name H2)
(resid 21 and name H1') 4.75 1.25 1.25
! A19 (3)
assign (resid 19 and name H2)
(resid 19 and name H1') 3.5 1.0 1.0
assign (resid 19 and name H2)
(resid 20 and name H1') 3.5 1.0 1.0
assign (resid 19 and name H2)
(resid 10 and name H1') 3.5 1.0 1.0
! A20 (3)
assign (resid 20 and name H2)
(resid 20 and name H1') 3.5 1.0 1.0
assign (resid 20 and name H2)
(resid 21 and name H1') 3.5 1.0 1.0
assign (resid 20 and name H2)
(resid 9 and name H1') 3.5 1.0 1.0
! A24 (4)
assign (resid 24 and name H2)
(resid 24 and name H1') 3.5 1.0 1.0
assign (resid 24 and name H2)
(resid 25 and name H1') 3.5 1.0 1.0
assign (resid 24 and name H2)
(resid 5 and name H1') 3.5 1.0 1.0
!-----------------------------------------
!added separate bin ranges for loop
!residues 12.7.10
!
! Loop to Stem restraints (14 restraints)
! C10 to G11 (5)
assign (resid 10 and name H1')
(resid 11 and name H8) 3.5 1.0 1.0
assign (resid 10 and name H2')
(resid 11 and name H8) 2.4 0.6 0.6 !loosened upper limit
assign (resid 10 and name H3')
(resid 11 and name H8) 3.5 1.0 1.0
assign (resid 10 and name H6)
(resid 11 and name H8) 3.5 1.0 1.0 !changed upper limit on 8.5.10
assign (resid 10 and name H2')
(resid 11 and name H1') 3.5 1.0 1.0
! U17 to G18 (2)
assign (resid 17 and name H1')
(resid 18 and name H8) 3.5 1.0 1.0 !ambiguous
assign (resid 17 and name H4')
(resid 18 and name H8) 3.5 1.0 1.0 !ambiguous
! G16 to G18 (7)
assign (resid 16 and name H1')
(resid 18 and name H8) 4.75 1.25 1.25 !SD through H2'
assign (resid 16 and name H1')
(resid 18 and name H5') 3.5 1.0 1.0 !SD through H2'
assign (resid 16 and name H2')
(resid 18 and name H8) 4.75 1.25 1.25 !suggest flipped out U
assign (resid 16 and name H3')
(resid 18 and name H8) 4.75 1.25 1.25 !suggest flipped out U
assign (resid 16 and name H8)
(resid 18 and name H8) 4.75 1.25 1.25 !suggest flipped out U
assign (resid 18 and name H4')
(resid 16 and name H8) 3.75 1.25 2.25 !noncanonical
assign (resid 18 and name H1')
(resid 16 and name H8) 4.75 1.25 1.25 !noncanonical
!-----------------------------------------
! Loop Intra-restraints (42 restraints)
! G11 (6)
assign (resid 11 and name H1')
(resid 11 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H2')
(resid 11 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H3')
(resid 11 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H4')
(resid 11 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H5')
(resid 11 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H1')
(resid 11 and name H5') 3.5 1.0 1.5
! A12 (6)
assign (resid 12 and name H1')
(resid 12 and name H8) 3.5 1.0 1.0
assign (resid 12 and name H2')
(resid 12 and name H8) 3.5 1.0 1.0
assign (resid 12 and name H3')
(resid 12 and name H8) 3.5 1.0 1.0
assign (resid 12 and name H4')
(resid 12 and name H8) 4.75 1.25 1.25
assign (resid 12 and name H5')
(resid 12 and name H8) 3.5 1.0 1.0
assign (resid 12 and name H1')
(resid 12 and name H5') 3.5 1.0 1.5
! U13 (6)
assign (resid 13 and name H1')
(resid 13 and name H6) 3.5 1.0 1.0
assign (resid 13 and name H2')
(resid 13 and name H6) 3.5 1.0 1.0
assign (resid 13 and name H3')
(resid 13 and name H6) 3.5 1.0 1.0
assign (resid 13 and name H2')
(resid 13 and name H5) 3.5 1.0 1.0
assign (resid 13 and name H4')
(resid 13 and name H6) 3.5 1.0 1.0
assign (resid 13 and name H1')
(resid 13 and name H5') 3.5 1.0 1.5
! U14 (6)
assign (resid 14 and name H1')
(resid 14 and name H6) 3.5 1.0 1.0
assign (resid 14 and name H2')
(resid 14 and name H6) 3.5 1.0 1.0
assign (resid 14 and name H3')
(resid 14 and name H6) 3.5 1.0 1.0
assign (resid 14 and name H2')
(resid 14 and name H5) 3.5 1.0 1.0
assign (resid 14 and name H4')
(resid 14 and name H6) 3.5 1.0 1.0
assign (resid 14 and name H1')
(resid 14 and name H5') 3.5 1.0 1.5
! A15 (6)
assign (resid 15 and name H1')
(resid 15 and name H8) 3.5 1.0 1.0
assign (resid 15 and name H2')
(resid 15 and name H8) 3.5 1.0 1.0
assign (resid 15 and name H3')
(resid 15 and name H8) 3.5 1.0 1.0
assign (resid 15 and name H5')
(resid 15 and name H8) 4.75 1.25 1.25 !added 08.17.10
assign (resid 15 and name H1')
(resid 15 and name H5') 3.5 1.0 1.5
assign (resid 15 and name H5'')
(resid 15 and name H8) 4.75 1.25 1.25 !added 08.17.10
! G16 (5)
assign (resid 16 and name H1')
(resid 16 and name H8) 2.4 0.6 0.6 !syn conformation
assign (resid 16 and name H2')
(resid 16 and name H8) 3.5 1.0 1.0
assign (resid 16 and name H3')
(resid 16 and name H8) 4.75 1.25 1.25
assign (resid 16 and name H4')
(resid 16 and name H8) 4.75 1.25 1.25
assign (resid 16 and name H1')
(resid 16 and name H5') 3.5 1.0 1.5
! U17 (7)
assign (resid 17 and name H1')
(resid 17 and name H6) 3.5 1.0 1.0
assign (resid 17 and name H2')
(resid 17 and name H6) 3.5 1.0 1.0
assign (resid 17 and name H3')
(resid 17 and name H6) 3.5 1.0 1.0
assign (resid 17 and name H4')
(resid 17 and name H6) 3.5 1.0 1.0
assign (resid 17 and name H5')
(resid 17 and name H6) 3.5 1.0 1.0
assign (resid 17 and name H5'')
(resid 17 and name H6) 3.5 1.0 1.0
assign (resid 17 and name H2')
(resid 17 and name H5) 3.5 1.0 1.0
!--------------------------------------------
! Loop Inter-restraints (26)
! G11 to A12 (5)
assign (resid 11 and name H1')
(resid 12 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H2')
(resid 12 and name H8) 2.4 0.6 0.6
assign (resid 11 and name H3')
(resid 12 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H8)
(resid 12 and name H8) 3.5 1.0 1.0
assign (resid 11 and name H2')
(resid 12 and name H1') 3.5 1.0 1.0
! A12 to U13 (7)
assign (resid 12 and name H1')
(resid 13 and name H6) 4.75 1.25 1.25
assign (resid 12 and name H2')
(resid 13 and name H6) 2.4 0.6 1.0
assign (resid 12 and name H3')
(resid 13 and name H6) 3.5 1.0 1.0
assign (resid 12 and name H4')
(resid 13 and name H6) 4.75 1.25 1.25
assign (resid 12 and name H8)
(resid 13 and name H6) 4.75 1.25 1.25
assign (resid 12 and name H8)
(resid 13 and name H5) 3.5 1.0 1.0
assign (resid 12 and name H2')
(resid 13 and name H1') 3.5 1.0 1.0 !added 08.03.10
! U13 to U14 (1)
assign (resid 13 and name H1')
(resid 14 and name H6) 4.75 1.25 2.25 !change to allow flexibility
!
!unusual A15 to U13 Noes (2)
assign (resid 15 and name H8)
(resid 13 and name H4') 4.75 1.25 1.25 !added 11.22.10
assign (resid 15 and name H8)
(resid 13 and name H1') 4.75 1.25 1.25 !added 11.22.10
! U14 to A15 (4)
assign (resid 14 and name H1')
(resid 15 and name H8) 4.75 1.25 1.25
assign (resid 14 and name H2')
(resid 15 and name H8) 3.5 1.0 1.0 !changed 11.22.10
assign (resid 14 and name H3')
(resid 15 and name H8) 4.75 1.25 1.25
assign (resid 14 and name H2')
(resid 15 and name H1') 3.5 1.0 1.0 ! added 08.03.10
! A15 to G16 (6)
assign (resid 15 and name H2')
(resid 16 and name H8) 4.75 1.25 1.25
assign (resid 15 and name H3')
(resid 16 and name H8) 4.75 1.25 1.25
assign (resid 15 and name H5')
(resid 16 and name H8) 4.75 0.75 1.25
assign (resid 15 and name H1')
(resid 16 and name H5') 3.5 1.0 1.0 !added 08.17.10
assign (resid 15 and name H1')
(resid 16 and name H5'') 3.5 1.0 1.0 !added 08.17.10
assign (resid 15 and name H1')
(resid 16 and name H4') 4.75 1.25 1.25 !added 08.17.10
! G16 to U17 (1)
assign (resid 16 and name H8)
(resid 17 and name H1') 4.75 1.25 1.25 !added 10.22.10
! Loop H2 restraints (9 restraints)
! A12 (6)
assign (resid 12 and name H1')
(resid 12 and name H2) 3.5 0.5 1.0
assign (resid 16 and name H1')
(resid 12 and name H2) 3.5 0.0 2.0
assign (resid 15 and name H3')
(resid 12 and name H2) 3.5 0.5 1.0
assign (resid 15 and name H2')
(resid 12 and name H2) 3.5 0.0 1.0
assign (resid 15 and name H5')
(resid 12 and name H2) 3.5 0.5 2.0
assign (resid 13 and name H1')
(resid 12 and name H2) 3.5 0.5 1.0
! A15 (3)
assign (resid 15 and name H1')
(resid 15 and name H2) 3.5 1.0 1.0
assign (resid 14 and name H1')
(resid 15 and name H2) 3.5 1.0 1.0
assign (resid 16 and name H4')
(resid 15 and name H2) 3.5 1.0 1.0
! Water data (19 restraints)
! Imino to Imino (6)
assign (resid 1 and name H1)
(resid 2 and name H1) 3.75 1.25 1.25
assign (resid 2 and name H1)
(resid 25 and name H3) 3.75 1.25 1.25
assign (resid 4 and name H3)
(resid 25 and name H3) 3.75 1.25 1.25
assign (resid 4 and name H3)
(resid 23 and name H1) 3.75 1.25 1.25
assign (resid 22 and name H1)
(resid 23 and name H1) 3.75 1.25 1.25
assign (resid 9 and name H3)
(resid 18 and name H1) 3.75 1.25 1.25
! Imino to H2 (3)
assign (resid 25 and name H3)
(resid 3 and name H2) 2.4 0.6 0.6
assign (resid 4 and name H3)
(resid 24 and name H2) 2.4 0.6 0.6
assign (resid 9 and name H3)
(resid 19 and name H2) 2.4 0.6 0.6
! Imino to H1' (9)
assign (resid 1 and name H1)
(resid 2 and name H1') 4.75 1.25 1.25
assign (resid 2 and name H1)
(resid 3 and name H1') 4.75 1.25 1.25
assign (resid 4 and name H3)
(resid 5 and name H1') 4.75 1.25 1.25
assign (resid 8 and name H3)
(resid 9 and name H1') 4.75 1.25 1.25
assign (resid 9 and name H3)
(resid 10 and name H1') 4.75 1.25 1.25
assign (resid 18 and name H1)
(resid 19 and name H1') 4.75 1.25 1.25
assign (resid 22 and name H1)
(resid 23 and name H1') 4.75 1.25 1.25
assign (resid 23 and name H1)
(resid 24 and name H1') 4.75 1.25 1.25
assign (resid 25 and name H3)
(resid 26 and name H1') 4.75 1.25 1.25
! Stem imino to loop (1)
assign (resid 11 and name H1')
(resid 18 and name H1) 4.75 1.25 1.25
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