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

4073

1eot

4155

cing

recoord

dress

1-original

10

XPLOR/CNS

distance

NOE

simple

!HA(i)-HN(i+2)

assign (resid 20 and name HA )(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 21 and name HA )(resid 23 and name HN ) 3.5 1.7 0.5
assign (resid 23 and name HA )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 44 and name HA )(resid 46 and name HN ) 3.5 1.7 0.5
assign (resid 56 and name HA )(resid 58 and name HN ) 4.5 2.7 0.5
assign (resid 58 and name HA )(resid 60 and name HN ) 4.5 2.7 0.5
assign (resid 62 and name HA )(resid 64 and name HN ) 4.5 2.7 0.5

!HA(i)-HN(i+3) 

assign (resid 20 and name HA )(resid 23 and name HN ) 3.0 1.2 0.5
assign (resid 56 and name HA )(resid 59 and name HN ) 3.5 1.7 0.5
assign (resid 57 and name HA )(resid 60 and name HN ) 3.0 1.2 0.5 
assign (resid 58 and name HA )(resid 61 and name HN ) 3.0 1.2 0.5 
assign (resid 59 and name HA )(resid 62 and name HN ) 3.0 1.2 0.5 
assign (resid 60 and name HA )(resid 63 and name HN ) 3.0 1.2 0.5 
assign (resid 61 and name HA )(resid 64 and name HN ) 3.0 1.2 0.5 
assign (resid 62 and name HA )(resid 65 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HA )(resid 66 and name HN ) 3.0 1.2 0.5
assign (resid 64 and name HA )(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 65 and name HA )(resid 68 and name HN ) 3.0 1.2 0.5

!HA(i)-HN(i+4) 

assign (resid 56 and name HA )(resid 60 and name HN ) 3.5 1.7 0.5
assign (resid 58 and name HA )(resid 62 and name HN ) 3.5 1.7 0.5 
assign (resid 59 and name HA )(resid 63 and name HN ) 3.5 1.7 0.5
assign (resid 60 and name HA )(resid 64 and name HN ) 3.5 1.7 0.5
assign (resid 62 and name HA )(resid 66 and name HN ) 3.5 1.7 0.5
assign (resid 63 and name HA )(resid 67 and name HN ) 3.5 1.7 0.5

!NH-NH(i+2)

assign (resid 20 and name HN )(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 21 and name HN )(resid 23 and name HN ) 4.5 2.7 0.5
assign (resid 45 and name HN )(resid 47 and name HN ) 4.5 2.7 0.5
assign (resid 56 and name HN )(resid 58 and name HN ) 4.5 2.7 0.5
assign (resid 57 and name HN )(resid 59 and name HN ) 3.5 1.7 0.5
assign (resid 58 and name HN )(resid 60 and name HN ) 3.5 1.7 0.5
assign (resid 59 and name HN )(resid 61 and name HN ) 4.5 2.7 0.5

!NH-NH(i+3,4)

assign (resid 58 and name HN )(resid 61 and name HN ) 4.5 2.7 0.5
assign (resid 43 and name HN )(resid 47 and name HN ) 3.5 1.7 0.5

!BH-NH(i+2)

assign (resid 19 and name HB2)(resid 21 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HB1)(resid 36 and name HN ) 5.0 3.2 0.5
assign (resid 34 and name HB2)(resid 36 and name HN ) 5.0 3.2 0.5
assign (resid 43 and name HB )(resid 45 and name HN ) 3.5 1.7 0.5

!HA(i)-HB(i+3) 

assign (resid 58 and name HA )(resid 61 and name HB1) 3.0 1.2 0.5
assign (resid 58 and name HA )(resid 61 and name HB2) 2.3 0.5 0.5
assign (resid 57 and name HA )(resid 60 and name HB1) 3.0 1.2 0.5
assign (resid 57 and name HA )(resid 60 and name HB2) 3.0 1.2 0.5
assign (resid 60 and name HA )(resid 63 and name HB*) 3.0 1.2 1.5
assign (resid 61 and name HA )(resid 64 and name HB*) 3.0 1.2 1.5
assign (resid 63 and name HA )(resid 66 and name HB1) 3.5 1.7 0.5
assign (resid 63 and name HA )(resid 66 and name HB2) 3.5 1.7 0.5

!HA(i)-HD*(i+3)

assign (resid 20 and name HA )(resid 23 and name HD1*)2.3 0.5 1.0
assign (resid 20 and name HA )(resid 23 and name HD2*)4.5 2.7 1.0
assign (resid 62 and name HA )(resid 65 and name HD1*)3.5 1.2 1.0

!Short Range side-chain to NH contacts

assign (resid 26 and name HD* )(resid 28 and name HN) 3.5 1.7 2.5
assign (resid 29 and name HG2*)(resid 31 and name HN) 3.0 1.2 1.0
assign (resid 29 and name HG2*)(resid 31 and name HB1) 4.5 2.7 1.0
assign (resid 29 and name HG2*)(resid 31 and name HB2) 4.5 2.7 1.0
assign (resid 58 and name HG1*)(resid 62 and name HN) 3.5 1.7 1.0
assign (resid 58 and name HG2*)(resid 55 and name HN) 3.5 1.7 1.0
assign (resid 58 and name HG1*)(resid 55 and name HN) 3.5 1.7 1.0
assign (resid 58 and name HB  )(resid 55 and name HN) 3.0 1.2 0.5
assign (resid 55 and name HB1 )(resid 58 and name HN) 3.5 1.7 0.5
assign (resid 55 and name HB2 )(resid 58 and name HN) 3.5 1.7 0.5

!Short range side chain - side chain

assign (resid 10 and name HB* )(resid 13 and name HD2*)3.5 1.7 1.5
assign (resid 11 and name HZ  )(resid  9 and name HB2)3.5 1.7 0.5
assign (resid 11 and name HZ  )(resid  9 and name HB1)6.0 4.2 0.5
assign (resid 26 and name HE* )(resid 28 and name HB*)3.0 1.2 3.0
assign (resid 31 and name HB1 )(resid 34 and name HN )3.5 1.7 0.5
assign (resid 57 and name HE1 )(resid 55 and name HA )5.0 3.2 0.5
assign (resid 57 and name HE1 )(resid 55 and name HB*)3.0 1.2 1.0
assign (resid 61 and name HG  )(resid 57 and name HE3)3.0 1.2 0.5
assign (resid 61 and name HB2 )(resid 57 and name HE3)3.5 1.7 0.5
assign (resid 61 and name HB2 )(resid 57 and name HZ3)5.0 3.2 0.5
assign (resid 11 and name HD* )(resid 9  and name HB2)3.5 1.7 2.5
assign (resid 11 and name HE* )(resid 9  and name HB1)3.5 1.7 2.5
assign (resid 11 and name HE* )(resid 9  and name HB2)3.5 1.7 2.5
assign (resid 39 and name HG1*)(resid 41 and name HD*)3.5 1.7 2.5
assign (resid 39 and name HG1*)(resid 41 and name HE*)3.0 1.2 2.5
assign (resid 64 and name HD* )(resid 61 and name HA )3.5 1.7 2.5

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