NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
1111 1a60 4120 cing 1-original 16 XPLOR/CNS distance hydrogen bond ambi


!#####################  5' HAIRPIN   #################################

! G1-C17
assign (resid 1  and name O6)
       ((resid 17 and name H42) or (resid 17 and name H41))
1.83  0.1  0.1

assign (resid 1 and name H1)
       (resid 17 and name N3)
1.85  0.1  0.1

assign ((resid 1 and name H21) or (resid 1 and name H22))
       (resid 17 and name O2)
1.92  0.1  0.1

assign (resid 1 and name N2)
       (resid 17 and name O2)
2.88  0.2  0.2

assign (resid 1 and name C1')
       (resid 17 and name C1')
10.73  0.2  0.2


! G2-C16
assign (resid 2  and name O6)
       ((resid 16 and name H42) or (resid 16 and name H41))
1.83  0.1  0.1

assign (resid 2 and name H1)
       (resid 16 and name N3)
1.85  0.1  0.1

assign ((resid 2 and name H21) or (resid 2 and name H22))
       (resid 16 and name O2)
1.92  0.1  0.1

assign (resid 2 and name N2)
       (resid 16 and name O2)
2.88  0.2  0.2

assign (resid 2 and name C1')
       (resid 16 and name C1')
10.73  0.2  0.2

! G3-C15
assign (resid 3  and name O6)
       ((resid 15 and name H42) or (resid 15 and name H41))
1.83  0.1  0.1

assign (resid 3 and name H1)
       (resid 15 and name N3)
1.85  0.1  0.1

assign ((resid 3 and name H21) or (resid 3 and name H22))
       (resid 15 and name O2)
1.92  0.1  0.1

assign (resid 3 and name N2)
       (resid 15 and name O2)
2.88  0.2  0.2

assign (resid 3 and name C1')
       (resid 15 and name C1')
10.73  0.2  0.2

!A4-U14
assign (resid 14 and name O4)
       ((resid 4 and name H61) or (resid 4 and name H62))
1.91 0.1 0.1

assign (resid 14 and name N3)
       (resid 4 and name N1)
2.90 0.1 0.1

assign (resid 14 and name O2)
       (resid 4 and name C2)
3.75  0.2  0.2

assign (resid 14 and name C1')
       (resid 4 and name C1')
10.73  0.2  0.2

! G5-C13
assign (resid 5  and name O6)
       ((resid 13 and name H42) or (resid 13 and name H41))
1.83  0.1  0.1

assign (resid 5 and name H1)
       (resid 13 and name N3)
1.85  0.1  0.1

assign ((resid 5 and name H21) or (resid 5 and name H22))
       (resid 13 and name O2)
1.92  0.1  0.1

assign (resid 5 and name N2)
       (resid 13 and name O2)
2.88  0.2  0.2

assign (resid 5 and name C1')
       (resid 13 and name C1')
10.73  0.2  0.2


!######################    CENTRAL HELIX    #####################


! G30-C20
assign (resid 30  and name O6)
       ((resid 20 and name H42) or (resid 20 and name H41))
1.83  0.1  0.1

assign (resid 30 and name H1)
       (resid 20 and name N3)
1.85  0.1  0.1

assign ((resid 30 and name H21) or (resid 30 and name H22))
       (resid 20 and name O2)
1.92  0.1  0.1

assign (resid 30 and name N2)
       (resid 20 and name O2)
2.88  0.2  0.2

assign (resid 30 and name C1')
       (resid 20 and name C1')
10.73  0.2  0.2


! G31-C19
assign (resid 31  and name O6)
       ((resid 19 and name H42) or (resid 19 and name H41))
1.83  0.1  0.1

assign (resid 31 and name H1)
       (resid 19 and name N3)
1.85  0.1  0.1

assign ((resid 31 and name H21) or (resid 31 and name H22))
       (resid 19 and name O2)
1.92  0.1  0.1

assign (resid 31 and name N2)
       (resid 19 and name O2)
2.88  0.2  0.2

assign (resid 31 and name C1')
       (resid 19 and name C1')
10.73  0.2  0.2


! G32-C18
assign (resid 32  and name O6)
       ((resid 18 and name H42) or (resid 18 and name H41))
1.83  0.1  0.1

assign (resid 32 and name H1)
       (resid 18 and name N3)
1.85  0.1  0.1

assign ((resid 32 and name H21) or (resid 32 and name H22))
       (resid 18 and name O2)
1.92  0.1  0.1

assign (resid 32 and name N2)
       (resid 18 and name O2)
2.88  0.2  0.2

assign (resid 32 and name C1')
       (resid 18 and name C1')
10.73  0.2  0.2



!####################   3' HELIX      ########################


!A40-U25
assign (resid 25 and name O4)
       ((resid 40 and name H61) or (resid 40 and name H62))
1.91 0.1 0.1

assign (resid 25 and name N3)
       (resid 40 and name N1)
2.90 0.1 0.1

assign (resid 25 and name O2)
       (resid 40 and name C2)
3.75  0.2  0.2

assign (resid 25 and name C1')
       (resid 40 and name C1')
10.73  0.2  0.2


! C26-G39
assign (resid 39  and name O6)
       ((resid 26 and name H42) or (resid 26 and name H41))
1.83  0.1  0.1

assign (resid 39 and name H1)
       (resid 26 and name N3)
1.85  0.1  0.1

assign ((resid 39 and name H21) or (resid 39 and name H22))
       (resid 26 and name O2)
1.92  0.1  0.1

assign (resid 39 and name N2)
       (resid 26 and name O2)
2.88  0.2  0.2

assign (resid 39 and name C1')
       (resid 26 and name C1')
10.73  0.2  0.2


! C27-G38
assign (resid 38  and name O6)
       ((resid 27 and name H42) or (resid 27 and name H41))
1.83  0.1  0.1

assign (resid 38 and name H1)
       (resid 27 and name N3)
1.85  0.1  0.1

assign ((resid 38 and name H21) or (resid 38 and name H22))
       (resid 27 and name O2)
1.92  0.1  0.1

assign (resid 38 and name N2)
       (resid 27 and name O2)
2.88  0.2  0.2

assign (resid 38 and name C1')
       (resid 27 and name C1')
10.73  0.2  0.2


! G28-C37
assign (resid 28  and name O6)
       ((resid 37 and name H42) or (resid 37 and name H41))
1.83  0.1  0.1

assign (resid 28 and name H1)
       (resid 37 and name N3)
1.85  0.1  0.1

assign ((resid 28 and name H21) or (resid 28 and name H22))
       (resid 37 and name O2)
1.92  0.1  0.1

assign (resid 28 and name N2)
       (resid 37 and name O2)
2.88  0.2  0.2

assign (resid 28 and name C1')
       (resid 37 and name C1')
10.73  0.2  0.2


!A29-U36
assign (resid 36 and name O4)
       ((resid 29 and name H61) or (resid 29 and name H62))
1.91 0.1 0.1

assign (resid 36 and name N3)
       (resid 29 and name N1)
2.90 0.1 0.1

assign (resid 36 and name O2)
       (resid 29 and name C2)
3.75  0.2  0.2

assign (resid 36 and name C1')
       (resid 29 and name C1')
10.73  0.2  0.2





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