NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
2060 1bce cing 1-original 3 DISCOVER dihedral angle


#NMR_dihedral
!
!gamma
1:A_2:O5'           1:A_2:C5'         1:A_2:C4'          1:A_2:C3'          10.000  90.000 80.00 80.00 1000.000
1:A5'_1:O5'         1:A5'_1:C5'       1:A5'_1:C4'        1:A5'_1:C3'        10.000  90.000 80.00 80.00 1000.000
!
!
!planarity constrains
1:A5'_1:C6        1:A5'_1:N6        1:T3'_12:O4       1:T3'_12:C4         -10.000  10.000  2.00  2.00 1000.000
1:A5'_1:C6        1:A5'_1:N1        1:T3'_12:N3       1:T3'_12:C4         -10.000  10.000  2.00  2.00 1000.000
1:A_2:C6          1:A_2:N6          1:T_11:O4         1:T_11:C4           -10.000  10.000  2.00  2.00 1000.000
1:A_2:C6          1:A_2:N1          1:T_11:N3         1:T_11:C4           -10.000  10.000  2.00  2.00 1000.000
1:A_5:C6          1:A_5:N6          1:T_8:O4          1:T_8:C4            -10.000  10.000  2.00  2.00 1000.000
1:A_5:C6          1:A_5:N1          1:T_8:N3          1:T_8:C4            -10.000  10.000  2.00  2.00 1000.000
1:A3'_6:C6        1:A3'_6:N6        1:T5'_7:O4        1:T5'_7:C4          -10.000  10.000  2.00  2.00 1000.000
1:A3'_6:C6        1:A3'_6:N1        1:T5'_7:N3        1:T5'_7:C4          -10.000  10.000  2.00  2.00 1000.000
!
! WC CG
1:G_3:C6          1:G_3:O6          1:C_10:N4         1:C_10:C4           -10.000  10.000  2.00  2.00 1000.000
1:G_3:C2          1:G_3:N2          1:C_10:O2         1:C_10:C2           -10.000  10.000  2.00  2.00 1000.000
1:G_4:C6          1:G_4:O6          1:C_9:N4          1:C_9:C4            -10.000  10.000  2.00  2.00 1000.000
1:G_4:C2          1:G_4:N2          1:C_9:O2          1:C_9:C2            -10.000  10.000  2.00  2.00 1000.000
!
! hoogsteen
1:T5'_13:C4       1:T5'_13:O4       1:A5'_1:N6        1:A5'_1:C6          -10.000  10.000  2.00  2.00 1000.000
1:T5'_13:C4       1:T5'_13:N3       1:A5'_1:N7        1:A5'_1:C5          -10.000  10.000  2.00  2.00 1000.000
1:T_14:C4         1:T_14:O4         1:A_2:N6          1:A_2:C6            -10.000  10.000  2.00  2.00 1000.000
1:T_14:C4         1:T_14:N3         1:A_2:N7          1:A_2:C5            -10.000  10.000  2.00  2.00 1000.000
1:T_17:C4         1:T_17:O4         1:A_5:N6          1:A_5:C6            -10.000  10.000  2.00  2.00 1000.000
1:T_17:C4         1:T_17:N3         1:A_5:N7          1:A_5:C5            -10.000  10.000  2.00  2.00 1000.000
1:T3'_18:C4       1:T3'_18:O4       1:A3'_6:N6        1:A3'_6:C6          -10.000  10.000  2.00  2.00 1000.000
1:T3'_18:C4       1:T3'_18:N3       1:A3'_6:N7        1:A3'_6:C5          -10.000  10.000  2.00  2.00 1000.000
1:C_15:C4         1:C_15:N4         1:G_3:O6          1:G_3:C6            -10.000  10.000  2.00  2.00 1000.000
1:C_15:C4         1:C_15:N3         1:G_3:N7          1:G_3:C5            -10.000  10.000  2.00  2.00 1000.000
1:C_16:C4         1:C_16:N4         1:G_4:O6          1:G_4:C6            -10.000  10.000  2.00  2.00 1000.000
1:C_16:C4         1:C_16:N3         1:G_4:N7          1:G_4:C5            -10.000  10.000  2.00  2.00 1000.000
!
!v1
1:A5'_1:O4'       1:A5'_1:C1'       1:A5'_1:C2'       1:A5'_1:C3'           15.000  50.000 80.00 80.00 1000.000
1:A_2:O4'         1:A_2:C1'         1:A_2:C2'         1:A_2:C3'             15.000  50.000 80.00 80.00 1000.000
1:G_3:O4'         1:G_3:C1'         1:G_3:C2'         1:G_3:C3'             15.000  50.000 80.00 80.00 1000.000
1:G_4:O4'         1:G_4:C1'         1:G_4:C2'         1:G_4:C3'             15.000  50.000 80.00 80.00 1000.000
1:A_5:O4'         1:A_5:C1'         1:A_5:C2'         1:A_5:C3'             15.000  50.000 80.00 80.00 1000.000
1:A3'_6:O4'       1:A3'_6:C1'       1:A3'_6:C2'       1:A3'_6:C3'           15.000  50.000 80.00 80.00 1000.000
1:T5'_7:O4'       1:T5'_7:C1'       1:T5'_7:C2'       1:T5'_7:C3'           15.000  50.000 80.00 80.00 1000.000
1:T_8:O4'         1:T_8:C1'         1:T_8:C2'         1:T_8:C3'             15.000  50.000 80.00 80.00 1000.000
1:T3'_12:O4'      1:T3'_12:C1'      1:T3'_12:C2'      1:T3'_12:C3'          15.000  50.000 80.00 80.00 1000.000
1:T5'_13:O4'      1:T5'_13:C1'      1:T5'_13:C2'      1:T5'_13:C3'          15.000  50.000 80.00 80.00 1000.000
!
!V2
1:A5'_1:C1'       1:A5'_1:C2'       1:A5'_1:C3'       1:A5'_1:C4'          -50.000 -15.000 80.00 80.00 1000.000
1:A_2:C1'         1:A_2:C2'         1:A_2:C3'         1:A_2:C4'            -50.000 -15.000 80.00 80.00 1000.000
1:G_3:C1'         1:G_3:C2'         1:G_3:C3'         1:G_3:C4'            -50.000 -15.000 80.00 80.00 1000.000
1:G_4:C1'         1:G_4:C2'         1:G_4:C3'         1:G_4:C4'            -50.000 -15.000 80.00 80.00 1000.000
1:A_5:C1'         1:A_5:C2'         1:A_5:C3'         1:A_5:C4'            -50.000 -15.000 80.00 80.00 1000.000
1:A3'_6:C1'       1:A3'_6:C2'       1:A3'_6:C3'       1:A3'_6:C4'          -50.000 -15.000 80.00 80.00 1000.000
1:T5'_7:C1'       1:T5'_7:C2'       1:T5'_7:C3'       1:T5'_7:C4'          -50.000 -15.000 80.00 80.00 1000.000
1:T_8:C1'         1:T_8:C2'         1:T_8:C3'         1:T_8:C4'            -50.000 -15.000 80.00 80.00 1000.000
1:T3'_12:C1'      1:T3'_12:C2'      1:T3'_12:C3'      1:T3'_12:C4'         -50.000 -15.000 80.00 80.00 1000.000
1:T5'_13:C1'      1:T5'_13:C2'      1:T5'_13:C3'      1:T5'_13:C4'         -50.000 -15.000 80.00 80.00 1000.000


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, March 19, 2024 9:24:21 AM GMT (wattos1)