NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
10807 1qet cing 1-original 3 unknown dihedral angle


#3J_dihedral
! ---- Alpha & Zeta Angles are allowed from 0-150, and 210-360, so use 3J_dihedral 
!Alpha Angles
1:G5'_1:O3'        1:G_2:P            1:G_2:O5'          1:G_2:C5'          0.0   0
1:G_2:O3'          1:A_3:P            1:A_3:O5'          1:A_3:C5'          0.0   0
1:A_3:O3'          1:U_4:P            1:U_4:O5'          1:U_4:C5'          0.0   0
1:U_4:O3'          1:G_5:P            1:G_5:O5'          1:G_5:C5'          0.0   0
1:G_5:O3'          1:U_6:P            1:U_6:O5'          1:U_6:C5'          0.0   0
1:U_6:O3'          1:C_7:P            1:C_7:O5'          1:C_7:C5'          0.0   0
1:C_7:O3'          1:C3'_8:P          1:C3'_8:O5'        1:C3'_8:C5'        0.0   0
!.....................................
1:G5'_1B:O3'       1:G_2B:P           1:G_2B:O5'         1:G_2B:C5'         0.0   0
1:G_2B:O3'         1:A_3B:P           1:A_3B:O5'         1:A_3B:C5'         0.0   0
1:A_3B:O3'         1:U_4B:P           1:U_4B:O5'         1:U_4B:C5'         0.0   0
1:U_4B:O3'         1:G_5B:P           1:G_5B:O5'         1:G_5B:C5'         0.0   0
1:G_5B:O3'         1:U_6B:P           1:U_6B:O5'         1:U_6B:C5'         0.0   0
1:U_6B:O3'         1:C_7B:P           1:C_7B:O5'         1:C_7B:C5'         0.0   0
1:C_7B:O3'         1:C3'_8B:P         1:C3'_8B:O5'       1:C3'_8B:C5'       0.0   0
!
!Zeta Angles
1:G5'_1:C3'        1:G5'_1:O3'        1:G_2:P            1:G_2:O5'          0.0   0
1:G_2:C3'          1:G_2:O3'          1:A_3:P            1:A_3:O5'          0.0   0
1:A_3:C3'          1:A_3:O3'          1:U_4:P            1:U_4:O5'          0.0   0
1:U_4:C3'          1:U_4:O3'          1:G_5:P            1:G_5:O5'          0.0   0
1:G_5:C3'          1:G_5:O3'          1:U_6:P            1:U_6:O5'          0.0   0
1:U_6:C3'          1:U_6:O3'          1:C_7:P            1:C_7:O5'          0.0   0
1:C_7:C3'          1:C_7:O3'          1:C3'_8:P          1:C3'_8:O5'        0.0   0
!.....................................
1:G5'_1B:C3'       1:G5'_1B:O3'       1:G_2B:P           1:G_2B:O5'         0.0   0
1:G_2B:C3'         1:G_2B:O3'         1:A_3B:P           1:A_3B:O5'         0.0   0
1:A_3B:C3'         1:A_3B:O3'         1:U_4B:P           1:U_4B:O5'         0.0   0
1:U_4B:C3'         1:U_4B:O3'         1:G_5B:P           1:G_5B:O5'         0.0   0
1:G_5B:C3'         1:G_5B:O3'         1:U_6B:P           1:U_6B:O5'         0.0   0
1:U_6B:C3'         1:U_6B:O3'         1:C_7B:P           1:C_7B:O5'         0.0   0
1:C_7B:C3'         1:C_7B:O3'         1:C3'_8B:P         1:C3'_8B:O5'       0.0   0
!
#NMR_dihedral
!Beta Angles
1:G_2:P            1:G_2:O5'          1:G_2:C5'          1:G_2:C4'          170.0 1
1:U_4:P            1:U_4:O5'          1:U_4:C5'          1:U_4:C4'          170.0 1
1:G_5:P            1:G_5:O5'          1:G_5:C5'          1:G_5:C4'          170.0 1
1:U_6:P            1:U_6:O5'          1:U_6:C5'          1:U_6:C4'          170.0 1
1:C_7:P            1:C_7:O5'          1:C_7:C5'          1:C_7:C4'          170.0 1
1:C3'_8:P          1:C3'_8:O5'        1:C3'_8:C5'        1:C3'_8:C4'        170.0 1
!.....................................
1:G_2B:P           1:G_2B:O5'         1:G_2B:C5'         1:G_2B:C4'         170.0 1
1:U_4B:P           1:U_4B:O5'         1:U_4B:C5'         1:U_4B:C4'         170.0 1
1:G_5B:P           1:G_5B:O5'         1:G_5B:C5'         1:G_5B:C4'         170.0 1
1:U_6B:P           1:U_6B:O5'         1:U_6B:C5'         1:U_6B:C4'         170.0 1
1:C_7B:P           1:C_7B:O5'         1:C_7B:C5'         1:C_7B:C4'         170.0 1
1:C3'_8B:P         1:C3'_8B:O5'       1:C3'_8B:C5'       1:C3'_8B:C4'       170.0 1
!Gamma
1:G5'_1:O5'        1:G5'_1:C5'        1:G5'_1:C4'        1:G5'_1:C3'        37.43 5
1:A_3:O5'          1:A_3:C5'          1:A_3:C4'          1:A_3:C3'          37.43 5
1:U_4:O5'          1:U_4:C5'          1:U_4:C4'          1:U_4:C3'          37.43 5
1:C_7:O5'          1:C_7:C5'          1:C_7:C4'          1:C_7:C3'          37.43 5
!.....................................
1:G5'_1B:O5'       1:G5'_1B:C5'       1:G5'_1B:C4'       1:G5'_1B:C3'       37.43 5
1:A_3B:O5'         1:A_3B:C5'         1:A_3B:C4'         1:A_3B:C3'         37.43 5
1:U_4B:O5'         1:U_4B:C5'         1:U_4B:C4'         1:U_4B:C3'         37.43 5
1:C_7B:O5'         1:C_7B:C5'         1:C_7B:C4'         1:C_7B:C3'         37.43 5
!Delta
1:G5'_1:C5'        1:G5'_1:C4'        1:G5'_1:C3'        1:G5'_1:O3'        70.0  9
1:G_2:C5'          1:G_2:C4'          1:G_2:C3'          1:G_2:O3'          70.0  9
1:A_3:C5'          1:A_3:C4'          1:A_3:C3'          1:A_3:O3'          70.0  9
1:U_4:C5'          1:U_4:C4'          1:U_4:C3'          1:U_4:O3'          70.0  9
1:G_5:C5'          1:G_5:C4'          1:G_5:C3'          1:G_5:O3'          70.0  9
1:U_6:C5'          1:U_6:C4'          1:U_6:C3'          1:U_6:O3'          70.0  9
1:C_7:C5'          1:C_7:C4'          1:C_7:C3'          1:C_7:O3'          70.0  9
1:C3'_8:C5'        1:C3'_8:C4'        1:C3'_8:C3'        1:C3'_8:O3'        70.0  9
!.....................................
1:G5'_1B:C5'       1:G5'_1B:C4'       1:G5'_1B:C3'       1:G5'_1B:O3'       70.0  9
1:G_2B:C5'         1:G_2B:C4'         1:G_2B:C3'         1:G_2B:O3'         70.0  9
1:A_3B:C5'         1:A_3B:C4'         1:A_3B:C3'         1:A_3B:O3'         70.0  9
1:U_4B:C5'         1:U_4B:C4'         1:U_4B:C3'         1:U_4B:O3'         70.0  9
1:G_5B:C5'         1:G_5B:C4'         1:G_5B:C3'         1:G_5B:O3'         70.0  9
1:U_6B:C5'         1:U_6B:C4'         1:U_6B:C3'         1:U_6B:O3'         70.0  9
1:C_7B:C5'         1:C_7B:C4'         1:C_7B:C3'         1:C_7B:O3'         70.0  9
1:C3'_8B:C5'       1:C3'_8B:C4'       1:C3'_8B:C3'       1:C3'_8B:O3'       70.0  9
!
!Epsilon
1:G5'_1:C4'        1:G5'_1:C3'        1:G5'_1:O3'        1:G_2:P            190.0 2
1:G_2:C4'          1:G_2:C3'          1:G_2:O3'          1:A_3:P            190.0 2
1:U_4:C4'          1:U_4:C3'          1:U_4:O3'          1:G_5:P            190.0 2
1:G_5:C4'          1:G_5:C3'          1:G_5:O3'          1:U_6:P            190.0 2
1:U_6:C4'          1:U_6:C3'          1:U_6:O3'          1:C_7:P            190.0 2
1:C_7:C4'          1:C_7:C3'          1:C_7:O3'          1:C3'_8:P          190.0 2
!.....................................
1:G5'_1B:C4'       1:G5'_1B:C3'       1:G5'_1B:O3'       1:G_2B:P           190.0 2
1:G_2B:C4'         1:G_2B:C3'         1:G_2B:O3'         1:A_3B:P           190.0 2
1:U_4B:C4'         1:U_4B:C3'         1:U_4B:O3'         1:G_5B:P           190.0 2
1:G_5B:C4'         1:G_5B:C3'         1:G_5B:O3'         1:U_6B:P           190.0 2
1:U_6B:C4'         1:U_6B:C3'         1:U_6B:O3'         1:C_7B:P           190.0 2
1:C_7B:C4'         1:C_7B:C3'         1:C_7B:O3'         1:C3'_8B:P         190.0 2
!
!Chi
1:G5'_1:O4'        1:G5'_1:C1'        1:G5'_1:N9         1:G5'_1:C4         134.0 2
1:G_2:O4'          1:G_2:C1'          1:G_2:N9           1:G_2:C4           134.0 2
1:A_3:O4'          1:A_3:C1'          1:A_3:N9           1:A_3:C4           134.0 2
1:U_4:O4'          1:U_4:C1'          1:U_4:N1           1:U_4:C2           134.0 2
1:G_5:O4'          1:G_5:C1'          1:G_5:N9           1:G_5:C4           134.0 2
1:U_6:O4'          1:U_6:C1'          1:U_6:N1           1:U_6:C2           134.0 2
1:C_7:O4'          1:C_7:C1'          1:C_7:N1           1:C_7:C2           134.0 2
1:C3'_8:O4'        1:C3'_8:C1'        1:C3'_8:N1         1:C3'_8:C2         134.0 2
!.....................................
1:G5'_1B:O4'       1:G5'_1B:C1'       1:G5'_1B:N9        1:G5'_1B:C4        134.0 2
1:G_2B:O4'         1:G_2B:C1'         1:G_2B:N9          1:G_2B:C4          134.0 2
1:A_3B:O4'         1:A_3B:C1'         1:A_3B:N9          1:A_3B:C4          134.0 2
1:U_4B:O4'         1:U_4B:C1'         1:U_4B:N1          1:U_4B:C2          134.0 2
1:G_5B:O4'         1:G_5B:C1'         1:G_5B:N9          1:G_5B:C4          134.0 2
1:U_6B:O4'         1:U_6B:C1'         1:U_6B:N1          1:U_6B:C2          134.0 2
1:C_7B:O4'         1:C_7B:C1'         1:C_7B:N1          1:C_7B:C2          134.0 2
1:C3'_8B:O4'       1:C3'_8B:C1'       1:C3'_8B:N1        1:C3'_8B:C2        134.0 2
!
! H1'/H2' Torsion Angles- Here to keep C3'-endo sugar conformations
1:G5'_1:H1'        1:G5'_1:C1'        1:G5'_1:C2'         1:G5'_1:H2'         93.0 
1:G_2:H1'          1:G_2:C1'          1:G_2:C2'           1:G_2:H2'           93.0 
1:A_3:H1'          1:A_3:C1'          1:A_3:C2'           1:A_3:H2'           93.0 
1:U_4:H1'          1:U_4:C1'          1:U_4:C2'           1:U_4:H2'           93.0 
1:G_5:H1'          1:G_5:C1'          1:G_5:C2'           1:G_5:H2'           93.0 
1:U_6:H1'          1:U_6:C1'          1:U_6:C2'           1:U_6:H2'           93.0 
1:C_7:H1'          1:C_7:C1'          1:C_7:C2'           1:C_7:H2'           93.0 
1:C3'_8:H1'        1:C3'_8:C1'        1:C3'_8:C2'         1:C3'_8:H2'         93.0 
!.....................................
1:G5'_1B:H1'       1:G5'_1B:C1'       1:G5'_1B:C2'        1:G5'_1B:H2'        93.0 
1:G_2B:H1'         1:G_2B:C1'         1:G_2B:C2'          1:G_2B:H2'          93.0 
1:A_3B:H1'         1:A_3B:C1'         1:A_3B:C2'          1:A_3B:H2'          93.0 
1:U_4B:H1'         1:U_4B:C1'         1:U_4B:C2'          1:U_4B:H2'          93.0 
1:G_5B:H1'         1:G_5B:C1'         1:G_5B:C2'          1:G_5B:H2'          93.0 
1:U_6B:H1'         1:U_6B:C1'         1:U_6B:C2'          1:U_6B:H2'          93.0 
1:C_7B:H1'         1:C_7B:C1'         1:C_7B:C2'          1:C_7B:H2'          93.0 
1:C3'_8B:H1'       1:C3'_8B:C1'       1:C3'_8B:C2'        1:C3'_8B:H2'        93.0 
!
!


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