NMR Restraints Grid

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

image

mrblock_id

pdb_id

bmrb_id

cing

in_recoord

in_dress

stage

position

program

type

subtype

subsubtype

2837

1cn7

4339

cing

recoord

dress

1-original

3

XPLOR/CNS

distance

hydrogen bond

simple

!Final XPLOR restraints for calculating L30 protein free in solution
!4/23/99 by H. Mao
!SQ   SEQUENCE   104 AA;  11284 MW;  2BB4D4AA CRC32;
!     APVKSQESIN QKLALVIKSG KYTLGYKSTV KSLRQGKSKL IIIAANTPVL RKSELEYYAM
!     LSKTKVYYFQ GGNNELGTAV GKLFRVGVVS ILEAGDSDIL TTLA

!hbonding restraints
!shortrange noe  34
!longrange noe   28
!total hbond     62

!beta sheet restraints
!%     LYS    22
assign (resid 22  and name O    )(resid 93  and name HN   ) 1.95 0.25 0.25
assign (resid 22  and name O    )(resid 93  and name N    ) 2.95 0.25 0.25
!%     SER    91
assign (resid 91  and name O    )(resid 24  and name HN   ) 1.95 0.25 0.25
assign (resid 91  and name O    )(resid 24  and name N    ) 2.95 0.25 0.25
!%     THR    24
assign (resid 24  and name O    )(resid 91  and name HN   ) 1.95 0.25 0.25
assign (resid 24  and name O    )(resid 91  and name N    ) 2.95 0.25 0.25
!%     VAL    89
assign (resid 89  and name O    )(resid 26  and name HN   ) 1.95 0.25 0.25
assign (resid 89  and name O    )(resid 26  and name N    ) 2.95 0.25 0.25
!%     ILE    92
assign (resid 92  and name O    )(resid 41  and name HN   ) 1.95 0.25 0.25
assign (resid 92  and name O    )(resid 41  and name N    ) 2.95 0.25 0.25
!%     LEU    41
assign (resid 41  and name O    )(resid 92  and name HN   ) 1.95 0.25 0.25
assign (resid 41  and name O    )(resid 92  and name N    ) 2.95 0.25 0.25
!%     VAL    90
assign (resid 90  and name O    )(resid 43  and name HN   ) 1.95 0.25 0.25
assign (resid 90  and name O    )(resid 43  and name N    ) 2.95 0.25 0.25
!%     ILE    43
assign (resid 43  and name O    )(resid 90  and name HN   ) 1.95 0.25 0.25
assign (resid 43  and name O    )(resid 90  and name N    ) 2.95 0.25 0.25
!%     GLY    88
assign (resid 88  and name O    )(resid 45  and name HN   ) 1.95 0.25 0.25
assign (resid 88  and name O    )(resid 45  and name N    ) 2.95 0.25 0.25
!%     ALA    45
assign (resid 45  and name O    )(resid 88  and name HN   ) 1.95 0.25 0.25
assign (resid 45  and name O    )(resid 88  and name N    ) 2.95 0.25 0.25
!%     LYS    66
assign (resid 66  and name O    )(resid 42  and name HN   ) 1.95 0.25 0.25
assign (resid 66  and name O    )(resid 42  and name N    ) 2.95 0.25 0.25
!%     ILE    42
assign (resid 42  and name O    )(resid 68  and name HN   ) 1.95 0.25 0.25
assign (resid 42  and name O    )(resid 68  and name N    ) 2.95 0.25 0.25
!%     TYR    68
assign (resid 68  and name O    )(resid 44  and name HN   ) 1.95 0.25 0.25
assign (resid 68  and name O    )(resid 44  and name N    ) 2.95 0.25 0.25
!%     ILE    44
assign (resid 44  and name O    )(resid 70  and name HN   ) 1.95 0.25 0.25
assign (resid 44  and name O    )(resid 70  and name N    ) 2.95 0.25 0.25

!a-Helix hydrogen bonds restraints
!%     ILE    10
assign (resid 10  and name O    )(resid 14  and name HN   ) 1.95 0.25 0.25
assign (resid 10  and name O    )(resid 14  and name N    ) 2.95 0.25 0.25
!%     ASN    11
assign (resid 11  and name O    )(resid 15  and name HN   ) 1.95 0.25 0.25
assign (resid 11  and name O    )(resid 15  and name N    ) 2.95 0.25 0.25
!%     GLN    12
assign (resid 12  and name O    )(resid 16  and name HN   ) 1.95 0.25 0.25
assign (resid 12  and name O    )(resid 16  and name N    ) 2.95 0.25 0.25
!%     LYS    13
assign (resid 13  and name O    )(resid 17  and name HN   ) 1.95 0.25 0.25
assign (resid 13  and name O    )(resid 17  and name N    ) 2.95 0.25 0.25
!%     LEU    14
assign (resid 14  and name O    )(resid 18  and name HN   ) 1.95 0.25 0.25
assign (resid 14  and name O    )(resid 18  and name N    ) 2.95 0.25 0.25
!%     SER    29
assign (resid 29  and name O    )(resid 33  and name HN   ) 1.95 0.25 0.25
assign (resid 29  and name O    )(resid 33  and name N    ) 2.95 0.25 0.25
!%     THR    30
assign (resid 30  and name O    )(resid 34  and name HN   ) 1.95 0.25 0.25
assign (resid 30  and name O    )(resid 34  and name N    ) 2.95 0.25 0.25
!%     VAL    31
assign (resid 31  and name O    )(resid 35  and name HN   ) 1.95 0.25 0.25
assign (resid 31  and name O    )(resid 35  and name N    ) 2.95 0.25 0.25
!%     LYS    32
assign (resid 32  and name O    )(resid 36  and name HN   ) 1.95 0.25 0.25
assign (resid 32  and name O    )(resid 36  and name N    ) 2.95 0.25 0.25
!%     LEU    51
assign (resid 51  and name O    )(resid 55  and name HN   ) 1.95 0.25 0.25
assign (resid 51  and name O    )(resid 55  and name N    ) 2.95 0.25 0.25
!%     ARG    52
assign (resid 52  and name O    )(resid 56  and name HN   ) 1.95 0.25 0.25
assign (resid 52  and name O    )(resid 56  and name N    ) 2.95 0.25 0.25
!%     LYS    53
assign (resid 53  and name O    )(resid 57  and name HN   ) 1.95 0.25 0.25
assign (resid 53  and name O    )(resid 57  and name N    ) 2.95 0.25 0.25
!%     SER    54
assign (resid 54  and name O    )(resid 58  and name HN   ) 1.95 0.25 0.25
assign (resid 54  and name O    )(resid 58  and name N    ) 2.95 0.25 0.25
!%     GLU    55
assign (resid 55  and name O    )(resid 59  and name HN   ) 1.95 0.25 0.25
assign (resid 55  and name O    )(resid 59  and name N    ) 2.95 0.25 0.25
!%     LEU    56
assign (resid 56  and name O    )(resid 60  and name HN   ) 1.95 0.25 0.25
assign (resid 56  and name O    )(resid 60  and name N    ) 2.95 0.25 0.25
!%     GLU    57
assign (resid 57  and name O    )(resid 61  and name HN   ) 1.95 0.25 0.25
assign (resid 57  and name O    )(resid 61  and name N    ) 2.95 0.25 0.25
!%     TYR    58
assign (resid 58  and name O    )(resid 62  and name HN   ) 1.95 0.25 0.25
assign (resid 58  and name O    )(resid 62  and name N    ) 2.95 0.25 0.25

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