NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570342 | 2lun | 18532 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
!Modified by jwang ! !----------------------------------------------------------------------! !updated 02-06-2009 with tortional angles and dihedral from GA motif ! !----------------------------------------------------------------------! ! !--------------------33mer RNA sequence:--------------------------- !----------------------------------------------------------------------! ! GGGAGUAAAGAUUGACUUCGGUCAUGAACUCCC ! !----------------------------------------------------------------------! ! ! backbone beta constraints SLX26 ! updated Feb/06/2009 !Selex28_A5_dih_v63_test4.tbl & Selex28_A5_dih_v63_test3.tbl are similar for noe6.tbl ! ! beta ! ! ! !G2 assign (resid 2 and name P ) (resid 2 and name O5') (resid 2 and name C5') (resid 2 and name C4') 1.0 170.0 40.0 2 ! !G3 assign (resid 3 and name P ) (resid 3 and name O5') (resid 3 and name C5') (resid 3 and name C4') 1.0 170.0 40.0 2 ! !C4 beta 4 =161.7 | gamma 4 =52.2 assign (resid 4 and name P ) (resid 4 and name O5') (resid 4 and name C5') (resid 4 and name C4') 1.0 170.0 40.0 2 ! !A5 -102.987 in crystal structure assign (resid 5 and name P ) (resid 5 and name O5') (resid 5 and name C5') (resid 5 and name C4') 1.0 -170.0 40.0 2 ! A5 Gamma ! 156 in crystal structure assign (resid 5 and name O5') (resid 5 and name C5') (resid 5 and name C4') (resid 5 and name C3') 1.0 110.0 40.0 2 ! ! !G6 -175.637 in crystal structure ! 160.0 55mer A46 assign (resid 6 and name P ) (resid 6 and name O5') (resid 6 and name C5') (resid 6 and name C4') 1.0 160.0 40.0 2 ! ! G6 Gamma ! assign (resid 6 and name O5') (resid 6 and name C5') (resid 6 and name C4') (resid 6 and name C3') 1.0 105.0 40.0 2 ! ! !U7 ! assign (resid 7 and name P ) (resid 7 and name O5') (resid 7 and name C5') (resid 7 and name C4') 1.0 175.0 60.0 2 ! ! !G8 ! assign (resid 8 and name P ) (resid 8 and name O5') (resid 8 and name C5') (resid 8 and name C4') 1.0 160.0 40.0 2 ! ! !A9 ! assign (resid 9 and name P ) (resid 9 and name O5') (resid 9 and name C5') (resid 9 and name C4') 1.0 170.0 40.0 2 ! ! !U10 ! assign (resid 10 and name P ) (resid 10 and name O5') (resid 10 and name C5') (resid 10 and name C4') 1.0 170.0 40.0 2 ! ! !G11 ! assign (resid 11 and name P ) (resid 11 and name O5') (resid 11 and name C5') (resid 11 and name C4') 1.0 -175.0 40.0 2 ! ! !C12 ! assign ( resid 12 and name P ) ( resid 12 and name O5' ) ( resid 12 and name C5' ) ( resid 12 and name C4' ) 1.0 170.0 40.0 2 ! !-----------------tetra-loop-------------------------| !U13-from ! assign ( resid 13 and name P ) ( resid 13 and name O5' ) ( resid 13 and name C5' ) ( resid 13 and name C4' ) 1.0 -170.0 40.0 2 ! ! !U14-from assign ( resid 14 and name P ) ( resid 14 and name O5' ) ( resid 14 and name C5' ) ( resid 14 and name C4' ) 1.0 155.0 40.0 2 ! ! !C15-from assign ( resid 15 and name P ) ( resid 15 and name O5' ) ( resid 15 and name C5' ) ( resid 15 and name C4' ) 1.0 -170.0 40.0 2 ! !G16-from assign ( resid 16 and name P ) ( resid 16 and name O5' ) ( resid 16 and name C5' ) ( resid 16 and name C4' ) 1.0 -170.0 40.0 2 ! ! !--------------------end of tetra loop----------------------------| ! !G17 assign (resid 17 and name P ) (resid 17 and name O5') (resid 17 and name C5') (resid 17 and name C4') 1.0 170.0 40.0 2 ! ! !C18 assign (resid 18 and name P ) (resid 18 and name O5') (resid 18 and name C5') (resid 18 and name C4') 1.0 175.0 40.0 2 ! ! !A19 assign (resid 19 and name P ) (resid 19 and name O5') (resid 19 and name C5') (resid 19 and name C4') 1.0 155.0 40.0 2 ! ! !U20 ! assign (resid 20 and name P ) (resid 20 and name O5') (resid 20 and name C5') (resid 20 and name C4') 1.0 110.0 40.0 2 ! ! !A21 ! assign (resid 21 and name P ) (resid 21 and name O5') (resid 21 and name C5') (resid 21 and name C4') 1.0 150.0 40.0 2 ! ! !U22 ! assign (resid 22 and name P ) (resid 22 and name O5') (resid 22 and name C5') (resid 22 and name C4') 1.0 155.0 40.0 2 ! ! !C23 ! assign (resid 23 and name P ) (resid 23 and name O5') (resid 23 and name C5') (resid 23 and name C4') 1.0 130.0 40.0 2 ! ! C23 ! assign (resid 23 and name O5') (resid 23 and name C5') (resid 23 and name C4') (resid 23 and name C3') 1.0 80.0 40.0 2 ! ! !A24 ! assign (resid 24 and name P ) (resid 24 and name O5') (resid 24 and name C5') (resid 24 and name C4') 1.0 -155.0 40.0 2 ! ! !G25 ! assign (resid 25 and name P ) (resid 25 and name O5') (resid 25 and name C5') (resid 25 and name C4') 1.0 170.0 40.0 2 ! ! !C26 ! assign (resid 26 and name P ) (resid 26 and name O5') (resid 26 and name C5') (resid 26 and name C4') 1.0 170.0 40.0 2 ! ! !C27 ! assign (resid 27 and name P ) (resid 27 and name O5') (resid 27 and name C5') (resid 27 and name C4') 1.0 170.0 40.0 2 ! ! !C28 176.894 in crystal structure ! assign (resid 28 and name P ) (resid 28 and name O5') (resid 28 and name C5') (resid 28 and name C4') 1.0 170.0 60.0 2 ! ! backbone epsilon constraints GA_33mer ! updated 4/4/07 ! ! ! epsilon ! 160.00 for both side chians ! around -160.0 in residues close to 1S72-loopE ! ! G1 ! assign (resid 1 and name C4') (resid 1 and name C3') (resid 1 and name O3') (resid 2 and name P ) 1.0 -160.0 40.0 2 ! ! ! G2 ! assign (resid 2 and name C4') (resid 2 and name C3') (resid 2 and name O3') (resid 3 and name P ) 1.0 -160.0 40.0 2 ! ! G3 ! assign (resid 3 and name C4') (resid 3 and name C3') (resid 3 and name O3') (resid 4 and name P ) 1.0 -160.0 40.0 2 ! ! C4 ! assign (resid 4 and name C4') (resid 4 and name C3') (resid 4 and name O3') (resid 5 and name P ) 1.0 -155.0 40.0 2 ! ! A5 ! assign (resid 5 and name C4') (resid 5 and name C3') (resid 5 and name O3') (resid 6 and name P ) 1.0 -165.0 40.0 2 ! ! ! G6 ! assign (resid 6 and name C4') (resid 6 and name C3') (resid 6 and name O3') (resid 7 and name P ) 1.0 -150.0 40.0 2 ! ! ! U7 ! assign (resid 7 and name C4') (resid 7 and name C3') (resid 7 and name O3') (resid 8 and name P ) 1.0 -160.0 40.0 2 ! ! ! G8 ! assign (resid 8 and name C4') (resid 8 and name C3') (resid 8 and name O3') (resid 9 and name P ) 1.0 -145.0 40.0 2 ! ! ! A9 ! assign (resid 9 and name C4') (resid 9 and name C3') (resid 9 and name O3') (resid 10 and name P ) 1.0 -150.0 40.0 2 ! ! ! U10 ! assign (resid 10 and name C4') (resid 10 and name C3') (resid 10 and name O3') (resid 11 and name P ) 1.0 -150.0 40.0 2 ! ! ! G11 assign (resid 11 and name C4') (resid 11 and name C3') (resid 11 and name O3') (resid 12 and name P ) 1.0 -150.0 40.0 2 ! ! C12 ! assign (resid 12 and name C4') (resid 12 and name C3') (resid 12 and name O3') (resid 13 and name P ) 1.0 -145.0 40.0 2 ! !-----------------tetra-loop-------------------------| ! ! U13 ! assign (resid 13 and name C4') (resid 13 and name C3') (resid 13 and name O3') (resid 14 and name P ) 1.0 -160.0 40.0 2 ! ! ! U14 ! assign (resid 14 and name C4') (resid 14 and name C3') (resid 14 and name O3') (resid 15 and name P ) 1.0 -110.0 40.0 2 ! ! ! C15 ! assign (resid 15 and name C4') (resid 15 and name C3') (resid 15 and name O3') (resid 16 and name P ) 1.0 -90.0 40.0 2 ! ! ! G16 ! assign (resid 16 and name C4') (resid 16 and name C3') (resid 16 and name O3') (resid 17 and name P ) 1.0 -142.0 40.0 2 ! !-----------------end of tetra-loop-------------------------| ! !G17 ! assign ( resid 17 and name C4' ) ( resid 17 and name C3' ) ( resid 17 and name O3' ) ( resid 18 and name P ) 1.0 -145.0 40.0 2 ! ! !C18 ! assign ( resid 18 and name C4' ) ( resid 18 and name C3' ) ( resid 18 and name O3' ) ( resid 19 and name P ) 1.0 -155.0 40.0 2 ! ! !A19 ! assign ( resid 19 and name C4' ) ( resid 19 and name C3' ) ( resid 19 and name O3' ) ( resid 20 and name P ) 1.0 -150.0 40.0 2 ! ! !U20 ! assign ( resid 20 and name C4' ) ( resid 20 and name C3' ) ( resid 20 and name O3' ) ( resid 21 and name P ) 1.0 -150.0 40.0 2 ! ! A21 ! assign (resid 21 and name C4') (resid 21 and name C3') (resid 21 and name O3') (resid 22 and name P ) 1.0 -140.0 40.0 2 ! ! ! U22 ! assign (resid 22 and name C4') (resid 22 and name C3') (resid 22 and name O3') (resid 23 and name P ) 1.0 -150.0 40.0 2 ! ! ! C23 ! assign (resid 23 and name C4') (resid 23 and name C3') (resid 23 and name O3') (resid 24 and name P ) 1.0 -150.0 40.0 2 ! ! ! A24 ! assign (resid 24 and name C4') (resid 24 and name C3') (resid 24 and name O3') (resid 25 and name P ) 1.0 -155.0 40.0 2 ! ! !G25 ! assign (resid 25 and name C4') (resid 25 and name C3') (resid 25 and name O3') (resid 26 and name P ) 1.0 -155.0 30.0 2 ! ! ! C26 ! assign (resid 26 and name C4') (resid 26 and name C3') (resid 26 and name O3') (resid 27 and name P ) 1.0 -140.0 40.0 2 ! ! ! C27 ! assign (resid 27 and name C4') (resid 27 and name C3') (resid 27 and name O3') (resid 28 and name P ) 1.0 -140.0 40.0 2 ! ! backbone alpha and zeta constraints SLX26 ! updated 02/06/2009 ! !alpha - average -70.0 ! !G1 assign ( resid 1 and name O3' ) ( resid 2 and name P ) ( resid 2 and name O5' ) ( resid 2 and name C5' ) 1.0 -70.0 60.0 2 ! ! !G2 assign ( resid 2 and name O3' ) ( resid 3 and name P ) ( resid 3 and name O5' ) ( resid 3 and name C5' ) 1.0 -70.0 60.0 2 ! ! !G3 assign ( resid 3 and name O3' ) ( resid 4 and name P ) ( resid 4 and name O5' ) ( resid 4 and name C5' ) 1.0 -80.0 40.0 2 ! ! !C4 assign ( resid 4 and name O3' ) ( resid 5 and name P ) ( resid 5 and name O5' ) ( resid 5 and name C5' ) 1.0 -80.0 40.0 2 ! ! !G5 ! assign ( resid 5 and name O3' ) ( resid 6 and name P ) ( resid 6 and name O5' ) ( resid 6 and name C5' ) 1.0 -80.0 60.0 2 ! ! !C6 ! assign ( resid 6 and name O3' ) ( resid 7 and name P ) ( resid 7 and name O5' ) ( resid 7 and name C5' ) 1.0 -90.0 40.0 2 ! !---------------------------------------------- !A7 ! assign ( resid 7 and name O3' ) ( resid 8 and name P ) ( resid 8 and name O5' ) ( resid 8 and name C5' ) 1.0 -40.0 40.0 2 ! ! !A8 ! assign ( resid 8 and name O3' ) ( resid 9 and name P ) ( resid 9 and name O5' ) ( resid 9 and name C5' ) 1.0 -40.0 40.0 2 ! ! !A9 ! assign ( resid 9 and name O3' ) ( resid 10 and name P ) ( resid 10 and name O5' ) ( resid 10 and name C5' ) 1.0 -70.0 40.0 2 ! ! !G10 ! assign ( resid 10 and name O3' ) ( resid 11 and name P ) ( resid 11 and name O5' ) ( resid 11 and name C5' ) 1.0 -80.0 40.0 2 ! ! !A11 ! assign ( resid 11 and name O3' ) ( resid 12 and name P ) ( resid 12 and name O5' ) ( resid 12 and name C5' ) 1.0 150.0 60.0 2 ! ! !U12 ! assign ( resid 12 and name O3' ) ( resid 13 and name P ) ( resid 13 and name O5' ) ( resid 13 and name C5' ) 1.0 -80.0 40.0 2 ! !-------------------Tetra-loop----------------------------| ! !U13 ! assign ( resid 13 and name O3' ) ( resid 14 and name P ) ( resid 14 and name O5' ) ( resid 14 and name C5' ) 1.0 -150.0 40.0 2 ! !U14 ! assign ( resid 14 and name O3' ) ( resid 15 and name P ) ( resid 15 and name O5' ) ( resid 15 and name C5' ) 1.0 -100.0 40.0 2 ! !C15 ! assign ( resid 15 and name O3' ) ( resid 16 and name P ) ( resid 16 and name O5' ) ( resid 16 and name C5' ) 1.0 60.0 40.0 2 ! ! !G16 ! assign ( resid 16 and name O3' ) ( resid 17 and name P ) ( resid 17 and name O5' ) ( resid 17 and name C5' ) 1.0 120.0 40.0 2 ! ! !G17 ! assign ( resid 17 and name O3' ) ( resid 18 and name P ) ( resid 18 and name O5' ) ( resid 18 and name C5' ) 1.0 -70.0 40.0 2 ! !C18 assign ( resid 18 and name O3' ) ( resid 19 and name P ) ( resid 19 and name O5' ) ( resid 19 and name C5' ) 1.0 -80.0 40.0 2 ! ! !A19 assign ( resid 19 and name O3' ) ( resid 20 and name P ) ( resid 20 and name O5' ) ( resid 20 and name C5' ) 1.0 -80.0 40.0 2 ! ! !U20 ! assign ( resid 20 and name O3' ) ( resid 21 and name P ) ( resid 21 and name O5' ) ( resid 21 and name C5' ) 1.0 -120.0 40.0 2 !60 flipped A ! !A21 ! assign ( resid 21 and name O3' ) ( resid 22 and name P ) ( resid 22 and name O5' ) ( resid 22 and name C5' ) 1.0 170.0 40.0 2 ! ! !U22 ! assign ( resid 22 and name O3' ) ( resid 23 and name P ) ( resid 23 and name O5' ) ( resid 23 and name C5' ) 1.0 -60.0 40.0 2 ! ! !C23 assign ( resid 23 and name O3' ) ( resid 24 and name P ) ( resid 24 and name O5' ) ( resid 24 and name C5' ) 1.0 -105.0 40.0 2 ! ! !A24 ! assign ( resid 24 and name O3' ) ( resid 25 and name P ) ( resid 25 and name O5' ) ( resid 25 and name C5' ) 1.0 -90.0 40.0 2 ! ! !G25 ! assign ( resid 25 and name O3' ) ( resid 26 and name P ) ( resid 26 and name O5' ) ( resid 26 and name C5' ) 1.0 -60.0 60.0 2 ! ! !C26 ! assign ( resid 26 and name O3' ) ( resid 27 and name P ) ( resid 27 and name O5' ) ( resid 27 and name C5' ) 5.0 -70.0 60.0 2 ! ! !C27 ! assign ( resid 27 and name O3' ) ( resid 28 and name P ) ( resid 28 and name O5' ) ( resid 28 and name C5' ) 1.0 -70.0 60.0 2 ! !--------------------------------------------------------- ! ! zeta ! ! Average -70.0 in residues close to loopE in 1S72 ! ! G1 - ! assign (resid 1 and name C3') (resid 1 and name O3') (resid 2 and name P ) (resid 2 and name O5') 1.0 -70.0 60.0 2 ! ! ! G2 ! assign (resid 2 and name C3') (resid 2 and name O3') (resid 3 and name P ) (resid 3 and name O5') 1.0 -70.0 60.0 2 ! ! ! G3 ! assign (resid 3 and name C3') (resid 3 and name O3') (resid 4 and name P ) (resid 4 and name O5') 1.0 -70.0 60.0 2 ! ! ! C4 ! assign (resid 4 and name C3') (resid 4 and name O3') (resid 5 and name P ) (resid 5 and name O5') 1.0 -60.0 40.0 2 ! ! ! A5 ! assign (resid 5 and name C3') (resid 5 and name O3') (resid 6 and name P ) (resid 6 and name O5') 1.0 -30.0 40.0 2 ! ! ! G6 ! assign (resid 6 and name C3') (resid 6 and name O3') (resid 7 and name P ) (resid 7 and name O5') 1.0 -70.0 30.0 2 ! ! ! U7 ! assign (resid 7 and name C3') (resid 7 and name O3') (resid 8 and name P ) (resid 8 and name O5') 1.0 -90.0 40.0 2 ! ! ! G8 ! assign (resid 8 and name C3') (resid 8 and name O3') (resid 9 and name P ) (resid 9 and name O5') 1.0 -70.0 40.0 2 ! ! ! A9 ! assign (resid 9 and name C3') (resid 9 and name O3') (resid 10 and name P ) (resid 10 and name O5') 1.0 -70.0 40.0 2 ! ! ! U10 ! assign (resid 10 and name C3') (resid 10 and name O3') (resid 11 and name P ) (resid 11 and name O5') 1.0 -70.0 40.0 2 ! ! ! G11 ! assign (resid 11 and name C3') (resid 11 and name O3') (resid 12 and name P ) (resid 12 and name O5') 1.0 -70.0 60.0 2 ! ! ! C12 ! assign (resid 12 and name C3') (resid 12 and name O3') (resid 13 and name P ) (resid 13 and name O5') 1.0 -65.0 60.0 2 ! !-------------------Tetra-loop----------------------------| ! ! U13 ! assign (resid 13 and name C3') (resid 13 and name O3') (resid 14 and name P ) (resid 14 and name O5') 1.0 -100.0 40.0 2 ! ! ! U14 ! assign (resid 14 and name C3') (resid 14 and name O3') (resid 15 and name P ) (resid 15 and name O5') 1.0 -60.0 40.0 2 ! ! ! C15 ! assign (resid 15 and name C3') (resid 15 and name O3') (resid 16 and name P ) (resid 16 and name O5') 1.0 82.0 40.0 2 ! ! ! G16 ! assign (resid 16 and name C3') (resid 16 and name O3') (resid 17 and name P ) (resid 17 and name O5') 1.0 -105.00 40.0 2 ! ! ! G17 ! assign (resid 17 and name C3') (resid 17 and name O3') (resid 18 and name P ) (resid 18 and name O5') 1.0 -65.0 60.0 2 ! ! ! C18 ! assign (resid 18 and name C3') (resid 18 and name O3') (resid 19 and name P ) (resid 19 and name O5') 1.0 -70.0 40.0 2 ! ! ! A19 ! assign (resid 19 and name C3') (resid 19 and name O3') (resid 20 and name P ) (resid 20 and name O5') 1.0 -40.0 40.0 2 ! ! ! U20 ! assign (resid 20 and name C3') (resid 20 and name O3') (resid 21 and name P ) (resid 21 and name O5') 1.0 -80.0 40.0 2 ! ! ! A21 ! assign (resid 21 and name C3') (resid 21 and name O3') (resid 22 and name P ) (resid 22 and name O5') 1.0 -40.0 40.0 2 ! ! ! U22 ! assign (resid 22 and name C3') (resid 22 and name O3') (resid 23 and name P ) (resid 23 and name O5') 1.0 -80.0 40.0 2 ! ! ! C23 ! assign (resid 23 and name C3') (resid 23 and name O3') (resid 24 and name P ) (resid 24 and name O5') 1.0 -75.0 40.0 2 ! ! ! A24 ! ! assign (resid 24 and name C3') (resid 24 and name O3') (resid 25 and name P ) (resid 25 and name O5') 1.0 -75.0 40 2 ! ! ! G25 ! assign (resid 25 and name C3') (resid 25 and name O3') (resid 26 and name P ) (resid 26 and name O5') 1.0 -95.0 40.0 2 ! ! !C26 ! assign (resid 26 and name C3') (resid 26 and name O3') (resid 27 and name P ) (resid 27 and name O5') 1.0 -100.0 60.0 2 ! ! ! C27 ! assign (resid 27 and name C3') (resid 27 and name O3') (resid 28 and name P ) (resid 28 and name O5') 1.0 -70.0 60.0 2 ! ! ! backbone Delta from 1IKD ! updated 4/4/07 ! ! Delta ! ! !U13 assign ( resid 13 and name C5' ) ( resid 13 and name C4' ) ( resid 13 and name C3' ) ( resid 13 and name O3' ) 1.0 85.0 30.0 2 !85.0 in 1IKD/82.45 in 1K2G ! !U14 assign ( resid 14 and name C5' ) ( resid 14 and name C4' ) ( resid 14 and name C3' ) ( resid 14 and name O3' ) 1.0 155.0 30.0 2 !162.0 in 1IKD/151.38 in 1K2G ! !C15 assign ( resid 15 and name C5' ) ( resid 15 and name C4' ) ( resid 15 and name C3' ) ( resid 15 and name O3' ) 1.0 160.0 30.0 2 !162.0 in 1IKD/-93.10 in 1K2G ! !G16 assign ( resid 16 and name C5' ) ( resid 16 and name C4' ) ( resid 16 and name C3' ) ( resid 16 and name O3' ) 1.0 85.0 30.0 2 !85.0 in 1IKD/85.41 in 1K2G !Sugar pucker constraints for SLX26 !modified from Sean Moran's y32sugardih.tbl for SLX1 !Dan Harmon 4/3/07 ! ! ! G1 - C3' endo ! assign (resid 1 and name O4') (resid 1 and name C4') (resid 1 and name C3') (resid 1 and name C2') 1.0 -36.1 3.0 2 assign (resid 1 and name C4') (resid 1 and name C3') (resid 1 and name C2') (resid 1 and name C1') 1.0 37.3 3.0 2 assign (resid 1 and name C3') (resid 1 and name C2') (resid 1 and name C1') (resid 1 and name O4') 1.0 -25.8 3.0 2 ! ! G2 - C3' endo ! assign (resid 2 and name O4') (resid 2 and name C4') (resid 2 and name C3') (resid 2 and name C2') 1.0 -36.1 3.0 2 assign (resid 2 and name C4') (resid 2 and name C3') (resid 2 and name C2') (resid 2 and name C1') 1.0 37.3 3.0 2 assign (resid 2 and name C3') (resid 2 and name C2') (resid 2 and name C1') (resid 2 and name O4') 1.0 -25.8 3.0 2 ! ! G3 - C3' endo ! assign (resid 3 and name O4') (resid 3 and name C4') (resid 3 and name C3') (resid 3 and name C2') 1.0 -36.1 3.0 2 assign (resid 3 and name C4') (resid 3 and name C3') (resid 3 and name C2') (resid 3 and name C1') 1.0 37.3 3.0 2 assign (resid 3 and name C3') (resid 3 and name C2') (resid 3 and name C1') (resid 3 and name O4') 1.0 -25.8 3.0 2 ! ! C4 - C3' endo ! assign (resid 4 and name O4') (resid 4 and name C4') (resid 4 and name C3') (resid 4 and name C2') 1.0 -36.1 3.0 2 assign (resid 4 and name C4') (resid 4 and name C3') (resid 4 and name C2') (resid 4 and name C1') 1.0 37.3 3.0 2 assign (resid 4 and name C3') (resid 4 and name C2') (resid 4 and name C1') (resid 4 and name O4') 1.0 -25.1 3.0 2 ! ! A5 - C3' endo ! assign (resid 5 and name O4') (resid 5 and name C4') (resid 5 and name C3') (resid 5 and name C2') 1.0 -36.1 3.0 2 assign (resid 5 and name C4') (resid 5 and name C3') (resid 5 and name C2') (resid 5 and name C1') 1.0 37.3 3.0 2 assign (resid 5 and name C3') (resid 5 and name C2') (resid 5 and name C1') (resid 5 and name O4') 1.0 -25.8 3.0 2 ! ! G6 - C3' endo ! assign (resid 6 and name O4') (resid 6 and name C4') (resid 6 and name C3') (resid 6 and name C2') 1.0 -36.1 3.0 2 assign (resid 6 and name C4') (resid 6 and name C3') (resid 6 and name C2') (resid 6 and name C1') 1.0 37.3 3.0 2 assign (resid 6 and name C3') (resid 6 and name C2') (resid 6 and name C1') (resid 6 and name O4') 1.0 -25.8 3.0 2 ! ! U7 - C3' endo ! assign (resid 7 and name O4') (resid 7 and name C4') (resid 7 and name C3') (resid 7 and name C2') 1.0 -36.1 3.0 2 assign (resid 7 and name C4') (resid 7 and name C3') (resid 7 and name C2') (resid 7 and name C1') 1.0 37.3 3.0 2 assign (resid 7 and name C3') (resid 7 and name C2') (resid 7 and name C1') (resid 7 and name O4') 1.0 -25.1 3.0 2 ! ! G8 - C2' endo, more likely, changed 05-26-2011 ! assign (resid 8 and name O4') (resid 8 and name C4') (resid 8 and name C3') (resid 8 and name C2') 1.0 33.3 3.0 2 ! assign (resid 8 and name C4') (resid 8 and name C3') (resid 8 and name C2') (resid 8 and name C1') 1.0 -34.9 3.0 2 ! assign (resid 8 and name C3') (resid 8 and name C2') (resid 8 and name C1') (resid 8 and name O4') 1.0 24.9 3.0 2! ! ! A9 - C3' endo - changed 05-26-2011 ! assign (resid 9 and name O4') (resid 9 and name C4') (resid 9 and name C3') (resid 9 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 9 and name C4') (resid 9 and name C3') (resid 9 and name C2') (resid 9 and name C1') 1.0 37.3 3.0 2 ! assign (resid 9 and name C3') (resid 9 and name C2') (resid 9 and name C1') (resid 9 and name O4') 1.0 -25.1 3.0 2 ! ! ! U10 - C3' endo ! assign (resid 10 and name O4') (resid 10 and name C4') (resid 10 and name C3') (resid 10 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 10 and name C4') (resid 10 and name C3') (resid 10 and name C2') (resid 10 and name C1') 1.0 37.3 3.0 2 ! assign (resid 10 and name C3') (resid 10 and name C2') (resid 10 and name C1') (resid 10 and name O4') 1.0 -25.1 3.0 2 ! ! ! G11 - - ! assign (resid 11 and name O4') (resid 11 and name C4') (resid 11 and name C3') (resid 11 and name C2') 1.0 -36.1 3.0 2 assign (resid 11 and name C4') (resid 11 and name C3') (resid 11 and name C2') (resid 11 and name C1') 1.0 37.3 3.0 2 assign (resid 11 and name C3') (resid 11 and name C2') (resid 11 and name C1') (resid 11 and name O4') 1.0 -25.8 3.0 2 ! ! C12 - C3' endo from real 38mer ! assign (resid 12 and name O4') (resid 12 and name C4') (resid 12 and name C3') (resid 12 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 12 and name C4') (resid 12 and name C3') (resid 12 and name C2') (resid 12 and name C1') 1.0 37.3 3.0 2 ! assign (resid 12 and name C3') (resid 12 and name C2') (resid 12 and name C1') (resid 12 and name O4') 1.0 -25.8 3.0 2 ! ! ! U13 - C3' endo ! assign (resid 13 and name O4') (resid 13 and name C4') (resid 13 and name C3') (resid 13 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 13 and name C4') (resid 13 and name C3') (resid 13 and name C2') (resid 13 and name C1') 1.0 37.3 3.0 2 ! assign (resid 13 and name C3') (resid 13 and name C2') (resid 13 and name C1') (resid 13 and name O4') 1.0 -25.8 3.0 2 ! ! ! U14 - ! assign (resid 14 and name O4') (resid 14 and name C4') (resid 14 and name C3') (resid 14 and name C2') 1.0 33.3 3.0 2 ! assign (resid 14 and name C4') (resid 14 and name C3') (resid 14 and name C2') (resid 14 and name C1') 1.0 -34.9 3.0 2 ! assign (resid 14 and name C3') (resid 14 and name C2') (resid 14 and name C1') (resid 14 and name O4') 1.0 24.9 3.0 2 ! ! ! C15 - C2' endo ! assign (resid 15 and name O4') (resid 15 and name C4') (resid 15 and name C3') (resid 15 and name C2') 1.0 33.3 3.0 2 ! assign (resid 15 and name C4') (resid 15 and name C3') (resid 15 and name C2') (resid 15 and name C1') 1.0 -34.9 3.0 2 ! assign (resid 15 and name C3') (resid 15 and name C2') (resid 15 and name C1') (resid 15 and name O4') 1.0 24.9 3.0 2 ! ! ! G16 - C3' endo ! assign (resid 16 and name O4') (resid 16 and name C4') (resid 16 and name C3') (resid 16 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 16 and name C4') (resid 16 and name C3') (resid 16 and name C2') (resid 16 and name C1') 1.0 37.3 3.0 2 ! assign (resid 16 and name C3') (resid 16 and name C2') (resid 16 and name C1') (resid 16 and name O4') 1.0 -25.8 3.0 2 ! ! !chi G16-syn ! assign (resid 16 and name O4') (resid 16 and name C1') (resid 16 and name N9) (resid 16 and name C4) 1.0 55.0 15.0 2 ! assign (resid 16 and name C2') (resid 16 and name C1') (resid 16 and name N9) (resid 16 and name C8) 1.0 115.0 15.0 2 ! ! ! G17 - C3' endo ! assign (resid 17 and name O4') (resid 17 and name C4') (resid 17 and name C3') (resid 17 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 17 and name C4') (resid 17 and name C3') (resid 17 and name C2') (resid 17 and name C1') 1.0 37.3 3.0 2 ! assign (resid 17 and name C3') (resid 17 and name C2') (resid 17 and name C1') (resid 17 and name O4') 1.0 -25.8 3.0 2 ! ! !C18 - ! assign (resid 18 and name O4') (resid 18 and name C4') (resid 18 and name C3') (resid 18 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 18 and name C4') (resid 18 and name C3') (resid 18 and name C2') (resid 18 and name C1') 1.0 37.3 3.0 2 ! assign (resid 18 and name C3') (resid 18 and name C2') (resid 18 and name C1') (resid 18 and name O4') 1.0 -25.8 3.0 2 ! ! !A19 - ! assign (resid 19 and name O4') (resid 19 and name C4') (resid 19 and name C3') (resid 19 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 19 and name C4') (resid 19 and name C3') (resid 19 and name C2') (resid 19 and name C1') 1.0 37.3 3.0 2 ! assign (resid 19 and name C3') (resid 19 and name C2') (resid 19 and name C1') (resid 19 and name O4') 1.0 -25.8 3.0 2 ! ! ! U20 - C3' endo ! assign (resid 20 and name O4') (resid 20 and name C4') (resid 20 and name C3') (resid 20 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 20 and name C4') (resid 20 and name C3') (resid 20 and name C2') (resid 20 and name C1') 1.0 37.3 3.0 2 ! assign (resid 20 and name C3') (resid 20 and name C2') (resid 20 and name C1') (resid 20 and name O4') 1.0 -25.8 3.0 2 ! ! ! A21 - C3' endo ! assign (resid 21 and name O4') (resid 21 and name C4') (resid 21 and name C3') (resid 21 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 21 and name C4') (resid 21 and name C3') (resid 21 and name C2') (resid 21 and name C1') 1.0 37.3 3.0 2 ! assign (resid 21 and name C3') (resid 21 and name C2') (resid 21 and name C1') (resid 21 and name O4') 1.0 -25.8 3.0 2 ! ! ! U22 ! assign (resid 22 and name O4') (resid 22 and name C4') (resid 22 and name C3') (resid 22 and name C2') 1.0 -36.1 3.0 2 assign (resid 22 and name C4') (resid 22 and name C3') (resid 22 and name C2') (resid 22 and name C1') 1.0 37.3 3.0 2 assign (resid 22 and name C3') (resid 22 and name C2') (resid 22 and name C1') (resid 22 and name O4') 1.0 -25.8 3.0 2 ! ! C23 - C3' endo ! assign (resid 23 and name O4') (resid 23 and name C4') (resid 23 and name C3') (resid 23 and name C2') 1.0 -36.1 3.0 2 assign (resid 23 and name C4') (resid 23 and name C3') (resid 23 and name C2') (resid 23 and name C1') 1.0 37.3 3.0 2 assign (resid 23 and name C3') (resid 23 and name C2') (resid 23 and name C1') (resid 23 and name O4') 1.0 -25.8 3.0 2 ! ! A24 - C3' endo ! assign (resid 24 and name O4') (resid 24 and name C4') (resid 24 and name C3') (resid 24 and name C2') 1.0 -36.1 3.0 2 assign (resid 24 and name C4') (resid 24 and name C3') (resid 24 and name C2') (resid 24 and name C1') 1.0 37.3 3.0 2 assign (resid 24 and name C3') (resid 24 and name C2') (resid 24 and name C1') (resid 24 and name O4') 1.0 -25.8 3.0 2 ! ! G25 - C3' endo ! assign (resid 25 and name O4') (resid 25 and name C4') (resid 25 and name C3') (resid 25 and name C2') 1.0 -36.1 3.0 2 assign (resid 25 and name C4') (resid 25 and name C3') (resid 25 and name C2') (resid 25 and name C1') 1.0 37.3 3.0 2 assign (resid 25 and name C3') (resid 25 and name C2') (resid 25 and name C1') (resid 25 and name O4') 1.0 -25.8 3.0 2 ! ! C26 - ! assign (resid 26 and name O4') (resid 26 and name C4') (resid 26 and name C3') (resid 26 and name C2') 1.0 -36.1 3.0 2 assign (resid 26 and name C4') (resid 26 and name C3') (resid 26 and name C2') (resid 26 and name C1') 1.0 37.3 3.0 2 assign (resid 26 and name C3') (resid 26 and name C2') (resid 26 and name C1') (resid 26 and name O4') 1.0 -25.8 3.0 2 ! ! C27 - C3' endo from slx26 A5 ! assign (resid 27 and name O4') (resid 27 and name C4') (resid 27 and name C3') (resid 27 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 27 and name C4') (resid 27 and name C3') (resid 27 and name C2') (resid 27 and name C1') 1.0 37.3 3.0 2 ! assign (resid 27 and name C3') (resid 27 and name C2') (resid 27 and name C1') (resid 27 and name O4') 1.0 -25.8 3.0 2 ! ! ! C28 - no data from real 38mer - ! assign (resid 28 and name O4') (resid 28 and name C4') (resid 28 and name C3') (resid 28 and name C2') 1.0 -36.1 3.0 2 ! assign (resid 28 and name C4') (resid 28 and name C3') (resid 28 and name C2') (resid 28 and name C1') 1.0 37.3 3.0 2 ! assign (resid 28 and name C3') (resid 28 and name C2') (resid 28 and name C1') (resid 28 and name O4') 1.0 -25.8 3.0 2 ! ! base pair tortional restraints SLX26 ! updated 09/24/07 by jwang ! ! ! !G1-C28 assign (resid 1 and name C5 ) (resid 1 and name C6 ) (resid 1 and name N1 ) (resid 28 and name N3 ) 10.0 180.0 5.0 2 assign (resid 1 and name C5 ) (resid 1 and name C6 ) (resid 1 and name O6 ) (resid 28 and name N4 ) 10.0 180.0 5.0 2 ! !G2-C27 assign (resid 2 and name C5 ) (resid 2 and name C6 ) (resid 2 and name N1 ) (resid 27 and name N3 ) 10.0 180.0 5.0 2 assign (resid 2 and name C5 ) (resid 2 and name C6 ) (resid 2 and name O6 ) (resid 27 and name N4 ) 10.0 180.0 5.0 2 ! !G3-C26 assign (resid 3 and name C5 ) (resid 3 and name C6 ) (resid 3 and name N1 ) (resid 26 and name N3 ) 10.0 180.0 5.0 2 assign (resid 3 and name C5 ) (resid 3 and name C6 ) (resid 3 and name O6 ) (resid 26 and name N4 ) 10.0 180.0 5.0 2 ! !C4-G25 assign (resid 25 and name C5 ) (resid 25 and name C6 ) (resid 25 and name N1 ) (resid 4 and name N3 ) 10.0 180 5.0 2 assign (resid 25 and name C5 ) (resid 25 and name C6 ) (resid 25 and name O6 ) (resid 4 and name N4 ) 10.0 180 5.0 2 ! !G6-C23 - loose base pair - added 05-26-2011 assign (resid 6 and name C5 ) (resid 6 and name C6 ) (resid 6 and name N1 ) (resid 23 and name N3 ) 10.0 180.0 5.0 2 assign (resid 6 and name C5 ) (resid 6 and name C6 ) (resid 6 and name O6 ) (resid 23 and name N4 ) 10.0 180.0 5.0 2 ! !U7-U22 *** Weak Base Pair, !UU imino-4-carbonyl U22 O4 acceptor (U7O2-U22H3/U7H3-U22O4) assign (resid 7 and name N1 ) (resid 7 and name C2 ) (resid 7 and name O2 ) (resid 22 and name N3 ) 10.0 180 5.0 2 assign (resid 22 and name C5 ) (resid 22 and name C4 ) (resid 22 and name O4 ) (resid 7 and name N3 ) 10.0 180 5.0 2 ! !G8-A21 very weak sheared G8-A21 assign (resid 8 and name N1 ) (resid 8 and name C2 ) (resid 8 and name N3 ) (resid 21 and name N6 ) 10.0 180 10.0 2 assign (resid 21 and name C4 ) (resid 21 and name C5 ) (resid 21 and name N7 ) (resid 8 and name N2 ) 10.0 180 10.0 2 assign (resid 21 and name N1 ) (resid 21 and name C6 ) (resid 21 and name N6 ) (resid 8 and name N3 ) 10.0 180 10.0 2 ! !A9-U20 - Very weak bp - assign (resid 9 and name C5 ) (resid 9 and name C6 ) (resid 9 and name N1 ) (resid 20 and name N3 ) 30.0 180 5.0 2 assign (resid 9 and name C5 ) (resid 9 and name C6 ) (resid 9 and name N6 ) (resid 20 and name O4 ) 30.0 180 5.0 2 !A19-U10 regular A-U bp assign (resid 19 and name C5 ) (resid 19 and name C6 ) (resid 19 and name N1 ) (resid 10 and name N3 ) 10.0 180 5.0 2 assign (resid 19 and name C5 ) (resid 19 and name C6 ) (resid 19 and name N6 ) (resid 10 and name O4 ) 10.0 180 5.0 2 ! !G11-C18 assign (resid 11 and name C5 ) (resid 11 and name C6 ) (resid 11 and name N1 ) (resid 18 and name N3 ) 5.0 180.0 5.0 2 assign (resid 11 and name C5 ) (resid 11 and name C6 ) (resid 11 and name O6 ) (resid 18 and name N4 ) 5.0 180.0 5.0 2 !G17-C12 assign (resid 17 and name C5 ) (resid 17 and name C6 ) (resid 17 and name N1 ) (resid 12 and name N3 ) 5.0 180.0 5.0 2 assign (resid 17 and name C5 ) (resid 17 and name C6 ) (resid 17 and name O6 ) (resid 12 and name N4 ) 5.0 180.0 5.0 2
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