NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
1010 149d cing 1-original 4 XPLOR/CNS distance hydrogen bond simple


REMARK
REMARK     TABLE 4
REMARK     HYDROGEN BONDING DISTANCE RESTRAINTS 
REMARK     INFERRED FROM CHEMICAL SHIFTS OF PROTON RESONANCES
REMARK
REMARK  C1-G14
assign (resid    1 and name  N3  and segid GTA1)
       (resid   14 and name  H1  and segid GTA2)  1.940 0.10 0.10
assign (resid    1 and name  H42 and segid GTA1)
       (resid   14 and name  O6  and segid GTA2)  1.900 0.10 0.10
assign (resid    1 and name  O2  and segid GTA1)
       (resid   14 and name  H22 and segid GTA2)  1.840 0.10 0.10
REMARK  C2-G13
assign (resid    2 and name  N3  and segid GTA1)
       (resid   13 and name  H1  and segid GTA2)  1.940 0.10 0.10
assign (resid    2 and name  H42 and segid GTA1)
       (resid   13 and name  O6  and segid GTA2)  1.900 0.10 0.10
assign (resid    2 and name  O2  and segid GTA1)
       (resid   13 and name  H22 and segid GTA2)  1.840 0.10 0.10
REMARK  T3-A12
assign (resid    3 and name  H3  and segid GTA1)
       (resid   12 and name  N1  and segid GTA2)  1.810 0.10 0.10
assign (resid    3 and name  O4  and segid GTA1)
       (resid   12 and name  H61 and segid GTA2)  1.840 0.10 0.10
REMARK  A4-T11
assign (resid    4 and name  N1  and segid GTA1)
       (resid   11 and name  H3  and segid GTA2)  1.810 0.10 0.10
assign (resid    4 and name  H61 and segid GTA1)
       (resid   11 and name  O4  and segid GTA2)  1.840 0.10 0.10
REMARK  T5-A10
assign (resid    5 and name  H3  and segid GTA1)
       (resid   10 and name  N1  and segid GTA2)  1.810 0.10 0.10
assign (resid    5 and name  O4  and segid GTA1)
       (resid   10 and name  H61 and segid GTA2)  1.840 0.10 0.10
REMARK  T6-A9 
assign (resid    6 and name  H3  and segid GTA1)
       (resid    9 and name  N1  and segid GTA2)  1.810 0.10 0.10
assign (resid    6 and name  O4  and segid GTA1)
       (resid    9 and name  H61 and segid GTA2)  1.840 0.10 0.10
REMARK  C7-G8 
assign (resid    7 and name  N3  and segid GTA1)
       (resid    8 and name  H1  and segid GTA2)  1.940 0.10 0.10
assign (resid    7 and name  H42 and segid GTA1)
       (resid    8 and name  O6  and segid GTA2)  1.900 0.10 0.10
assign (resid    7 and name  O2  and segid GTA1)
       (resid    8 and name  H22 and segid GTA2)  1.840 0.10 0.10
REMARK  G8-C15
assign (resid    8 and name  N7  and segid GTA2)
       (resid   15 and name  H3  and segid GTA3)  1.940 0.10 0.10
assign (resid    8 and name  O6  and segid GTA2)
       (resid   15 and name  H42 and segid GTA3)  1.900 0.10 0.10
REMARK  A9-T16
assign (resid    9 and name  N7  and segid GTA2)
       (resid   16 and name  H3  and segid GTA3)  1.880 0.10 0.10
assign (resid    9 and name  H62 and segid GTA2)
       (resid   16 and name  O4  and segid GTA3)  1.820 0.10 0.10
REMARK  A10-T17
assign (resid   10 and name  N7  and segid GTA2)
       (resid   17 and name  H3  and segid GTA3)  1.880 0.10 0.10
assign (resid   10 and name  H62 and segid GTA2)
       (resid   17 and name  O4  and segid GTA3)  1.820 0.10 0.10
REMARK  A12-T19
assign (resid   12 and name  N7  and segid GTA2)
       (resid   19 and name  H3  and segid GTA3)  1.880 0.10 0.10
assign (resid   12 and name  H62 and segid GTA2)
       (resid   19 and name  O4  and segid GTA3)  1.820 0.10 0.10
REMARK  G13-C20
assign (resid   13 and name  N7  and segid GTA2)
       (resid   20 and name  H3  and segid GTA3)  1.940 0.10 0.10
assign (resid   13 and name  O6  and segid GTA2)
       (resid   20 and name  H42 and segid GTA3)  1.900 0.10 0.10
REMARK  G14-C21
assign (resid   14 and name  N7  and segid GTA2)
       (resid   21 and name  H3  and segid GTA3)  1.940 0.10 0.10
assign (resid   14 and name  O6  and segid GTA2)
       (resid   21 and name  H42 and segid GTA3)  1.900 0.10 0.10
REMARK  C1-G14
assign (resid    1 and name  N3  and segid GTA1)
       (resid   14 and name  N1  and segid GTA2)  2.950 0.10 0.10
assign (resid    1 and name  N4  and segid GTA1)
       (resid   14 and name  O6  and segid GTA2)  2.910 0.10 0.10
assign (resid    1 and name  O2  and segid GTA1)
       (resid   14 and name  N2  and segid GTA2)  2.860 0.10 0.10
REMARK  C2-G13
assign (resid    2 and name  N3  and segid GTA1)
       (resid   13 and name  N1  and segid GTA2)  2.950 0.10 0.10
assign (resid    2 and name  N4  and segid GTA1)
       (resid   13 and name  O6  and segid GTA2)  2.910 0.10 0.10
assign (resid    2 and name  O2  and segid GTA1)
       (resid   13 and name  N2  and segid GTA2)  2.860 0.10 0.10
REMARK  T3-A12
assign (resid    3 and name  N3  and segid GTA1)
       (resid   12 and name  N1  and segid GTA2)  2.820 0.10 0.10
assign (resid    3 and name  O4  and segid GTA1)
       (resid   12 and name  N6  and segid GTA2)  2.950 0.10 0.10
REMARK  A4-T11
assign (resid    4 and name  N1  and segid GTA1)
       (resid   11 and name  N3  and segid GTA2)  2.820 0.10 0.10
assign (resid    4 and name  N6  and segid GTA1)
       (resid   11 and name  O4  and segid GTA2)  2.950 0.10 0.10
REMARK  T5-A10
assign (resid    5 and name  N3  and segid GTA1)
       (resid   10 and name  N1  and segid GTA2)  2.820 0.10 0.10
assign (resid    5 and name  O4  and segid GTA1)
       (resid   10 and name  N6  and segid GTA2)  2.950 0.10 0.10
REMARK  T6-A9 
assign (resid    6 and name  N3  and segid GTA1)
       (resid    9 and name  N1  and segid GTA2)  2.820 0.10 0.10
assign (resid    6 and name  O4  and segid GTA1)
       (resid    9 and name  N6  and segid GTA2)  2.950 0.10 0.10
REMARK  C7-G8 
assign (resid    7 and name  N3  and segid GTA1)
       (resid    8 and name  N1  and segid GTA2)  2.950 0.10 0.10
assign (resid    7 and name  N4  and segid GTA1)
       (resid    8 and name  O6  and segid GTA2)  2.910 0.10 0.10
assign (resid    7 and name  O2  and segid GTA1)
       (resid    8 and name  N2  and segid GTA2)  2.860 0.10 0.10
REMARK  G8-C15
assign (resid    8 and name  N7  and segid GTA2)
       (resid   15 and name  N3  and segid GTA3)  2.950 0.10 0.10
assign (resid    8 and name  O6  and segid GTA2)
       (resid   15 and name  N4  and segid GTA3)  2.910 0.10 0.10
REMARK  A9-T16
assign (resid    9 and name  N7  and segid GTA2)
       (resid   16 and name  N3  and segid GTA3)  2.927 0.10 0.10
assign (resid    9 and name  N6  and segid GTA2)
       (resid   16 and name  O4  and segid GTA3)  2.861 0.10 0.10
REMARK  A10-T17
assign (resid   10 and name  N7  and segid GTA2)
       (resid   17 and name  N3  and segid GTA3)  2.927 0.10 0.10
assign (resid   10 and name  N6  and segid GTA2)
       (resid   17 and name  O4  and segid GTA3)  2.861 0.10 0.10
REMARK  A12-T19
assign (resid   12 and name  N7  and segid GTA2)
       (resid   19 and name  N3  and segid GTA3)  2.927 0.10 0.10
assign (resid   12 and name  N6  and segid GTA2)
       (resid   19 and name  O4  and segid GTA3)  2.861 0.10 0.10
REMARK  G13-C20
assign (resid   13 and name  N7  and segid GTA2)
       (resid   20 and name  N3  and segid GTA3)  2.950 0.10 0.10
assign (resid   13 and name  O6  and segid GTA2)
       (resid   20 and name  N4  and segid GTA3)  2.910 0.10 0.10
REMARK  G14-C21
assign (resid   14 and name  N7  and segid GTA2)
       (resid   21 and name  N3  and segid GTA3)  2.950 0.10 0.10
assign (resid   14 and name  O6  and segid GTA2)
       (resid   21 and name  N4  and segid GTA3)  2.910 0.10 0.10


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