NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10393 |
1ppx   |
5866 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!NOE table used to calculate MutT-Metal-(8-oxo-dGMP) quaternary complex
!Ref. Massiah,M.A.,Saraswat,V.,Azurmendi,H.F.,&Mildvan,A.S
! "Solution structure and NH exchange studies of the MutT
! pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP,
! a tightly-bound product"
! Apr. 2003 Biochemistry, submitted
!***********************************************************************
!STRAND 1
assign (resid 4 and name hn ) (resid 3 and name ha ) 1.8 0 1.0
assign (resid 5 and name hn ) (resid 4 and name ha ) 1.8 0 1.0
assign (resid 6 and name hn ) (resid 5 and name ha ) 1.8 0 1.0
assign (resid 7 and name hn ) (resid 6 and name ha ) 1.8 0 1.0
assign (resid 8 and name hn ) (resid 7 and name ha ) 1.8 0 1.0
assign (resid 9 and name hn ) (resid 8 and name ha ) 1.8 0 1.0
assign (resid 10 and name hn ) (resid 9 and name ha1 ) 1.8 0 1.5
assign (resid 10 and name hn ) (resid 9 and name ha2 ) 1.8 0 1.5
assign (resid 11 and name hn ) (resid 10 and name ha ) 1.8 0 1.0
assign (resid 12 and name hn ) (resid 11 and name ha ) 1.8 0 1.0
assign (resid 13 and name hn ) (resid 12 and name ha ) 1.8 0 1.0
!STRAND 2
assign (resid 18 and name hn ) (resid 17 and name ha ) 1.8 0 1.0
assign (resid 19 and name hn ) (resid 18 and name ha ) 1.8 0 1.0
assign (resid 20 and name hn ) (resid 19 and name ha ) 1.8 0 1.0
assign (resid 21 and name hn ) (resid 20 and name ha ) 1.8 0 1.0
assign (resid 22 and name hn ) (resid 21 and name ha ) 1.8 0 3.2
assign (resid 23 and name hn ) (resid 22 and name ha ) 1.8 0 2.0
!STRAND 3
assign (resid 70 and name hn ) (resid 69 and name ha ) 1.8 0 1.0
assign (resid 71 and name hn ) (resid 70 and name ha ) 1.8 0 1.0
assign (resid 72 and name hn ) (resid 71 and name ha ) 1.8 0 1.0
assign (resid 73 and name hn ) (resid 72 and name ha ) 1.8 0 1.0
assign (resid 74 and name hn ) (resid 73 and name ha ) 1.8 0 1.0
assign (resid 75 and name hn ) (resid 74 and name ha ) 1.8 0 1.0
!STRAND 4
assign (resid 79 and name hn ) (resid 78 and name ha ) 1.8 0 1.0
assign (resid 80 and name hn ) (resid 79 and name ha ) 1.8 0 1.0
assign (resid 81 and name hn ) (resid 80 and name ha ) 1.8 0 1.0
assign (resid 82 and name hn ) (resid 81 and name ha ) 1.8 0 1.0
assign (resid 83 and name hn ) (resid 82 and name ha ) 1.8 0 1.0
assign (resid 84 and name hn ) (resid 83 and name ha ) 1.8 0 1.0
assign (resid 85 and name hn ) (resid 84 and name ha ) 1.8 0 1.0
assign (resid 86 and name hn ) (resid 85 and name ha ) 1.8 0 1.0
assign (resid 87 and name hn ) (resid 86 and name ha ) 1.8 0 1.0
assign (resid 88 and name hn ) (resid 87 and name ha ) 1.8 0 1.0
!STRAND 5
assign (resid 104 and name hn ) (resid 103 and name ha ) 1.8 0 1.0
assign (resid 105 and name hn ) (resid 104 and name ha ) 1.8 0 1.0
assign (resid 106 and name hn ) (resid 105 and name ha ) 1.8 0 1.5
assign (resid 107 and name hn ) (resid 106 and name ha ) 1.8 0 1.0
!...............................HELIX 1..................................
!...........................Helix 1 NH-NH(i+1).......................
assign (resid 48 and name hn ) (resid 47 and name hn ) 1.8 0 1.0
assign (resid 49 and name hn ) (resid 48 and name hn ) 1.8 0 1.0
assign (resid 50 and name hn ) (resid 49 and name hn ) 1.8 0 1.0
assign (resid 51 and name hn ) (resid 50 and name hn ) 1.8 0 1.0
assign (resid 52 and name hn ) (resid 51 and name hn ) 1.8 0 1.0
assign (resid 53 and name hn ) (resid 52 and name hn ) 1.8 0 1.0
assign (resid 54 and name hn ) (resid 53 and name hn ) 1.8 0 1.0
assign (resid 55 and name hn ) (resid 54 and name hn ) 1.8 0 1.0
assign (resid 56 and name hn ) (resid 55 and name hn ) 1.8 0 1.0
assign (resid 57 and name hn ) (resid 56 and name hn ) 1.8 0 1.0
assign (resid 58 and name hn ) (resid 57 and name hn ) 1.8 0 1.0
assign (resid 59 and name hn ) (resid 58 and name hn ) 1.8 0 1.0
assign (resid 60 and name hn ) (resid 59 and name hn ) 1.8 0 1.5
!.........................Helix 1 NH-NH(i+2).............................
assign (resid 49 and name hn ) (resid 47 and name hn ) 1.8 0 3.2
assign (resid 51 and name hn ) (resid 49 and name hn ) 1.8 0 3.2
assign (resid 53 and name hn ) (resid 51 and name hn ) 1.8 0 3.2
assign (resid 54 and name hn ) (resid 52 and name hn ) 1.8 0 3.2
assign (resid 55 and name hn ) (resid 53 and name hn ) 1.8 0 3.2
assign (resid 57 and name hn ) (resid 55 and name hn ) 1.8 0 3.2
assign (resid 58 and name hn ) (resid 56 and name hn ) 1.8 0 3.2
assign (resid 59 and name hn ) (resid 57 and name hn ) 1.8 0 3.2
assign (resid 60 and name hn ) (resid 58 and name hn ) 1.8 0 3.2
!........................ Helix 1 NH-NH(i+3)..........................
assign (resid 53 and name hn ) (resid 50 and name hn ) 1.8 0 3.2
assign (resid 54 and name hn ) (resid 51 and name hn ) 1.8 0 3.2
assign (resid 56 and name hn ) (resid 53 and name hn ) 1.8 0 3.2
assign (resid 58 and name hn ) (resid 55 and name hn ) 1.8 0 3.2
!........................Helix 1 NH-ha(i-1)...............................
assign (resid 48 and name hn ) (resid 47 and name ha ) 1.8 0 3.2
assign (resid 49 and name hn ) (resid 48 and name ha ) 1.8 0 3.2
assign (resid 51 and name hn ) (resid 50 and name ha ) 1.8 0 3.2
assign (resid 52 and name hn ) (resid 51 and name ha ) 1.8 0 3.2
assign (resid 53 and name hn ) (resid 52 and name ha ) 1.8 0 3.2
assign (resid 58 and name hn ) (resid 57 and name ha ) 1.8 0 3.2
!........................Helix 1 NH-ha(i-2)............................
assign (resid 49 and name hn ) (resid 47 and name ha ) 1.8 0 3.2
assign (resid 50 and name hn ) (resid 48 and name ha ) 1.8 0 3.2
assign (resid 51 and name hn ) (resid 49 and name ha ) 1.8 0 3.2
assign (resid 52 and name hn ) (resid 50 and name ha ) 1.8 0 3.2
assign (resid 53 and name hn ) (resid 51 and name ha ) 1.8 0 3.2
assign (resid 55 and name hn ) (resid 53 and name ha ) 1.8 0 3.2
assign (resid 58 and name hn ) (resid 56 and name ha ) 1.8 0 3.2
!.........................Helix 1 NH-ha(i-3)...............................
assign (resid 51 and name hn ) (resid 47 and name ha ) 1.8 0 3.2
assign (resid 52 and name hn ) (resid 49 and name ha ) 1.8 0 3.2
assign (resid 53 and name hn ) (resid 50 and name ha ) 1.8 0 3.2
assign (resid 55 and name hn ) (resid 52 and name ha ) 1.8 0 3.2
!.........................Helix 1 NH-ha(i-4)...............................
assign (resid 54 and name hn ) (resid 50 and name ha ) 1.8 0 3.2
assign (resid 55 and name hn ) (resid 51 and name ha ) 1.8 0 3.2
assign (resid 57 and name hn ) (resid 53 and name ha ) 1.8 0 3.2
!.........................Helix 1 (ha(i) - hb (i+3)).......................
assign (resid 48 and name ha ) (resid 51 and name hb ) 1.8 0 1.5
assign (resid 49 and name ha ) (resid 52 and name hb* ) 1.8 0 2.0
assign (resid 50 and name ha ) (resid 53 and name hb* ) 1.8 0 2.0
assign (resid 51 and name ha ) (resid 54 and name hb* ) 1.8 0 2.0
assign (resid 52 and name ha ) (resid 55 and name hb* ) 1.8 0 2.0
assign (resid 53 and name ha ) (resid 56 and name hb1 ) 1.8 0 1.5
assign (resid 53 and name ha ) (resid 56 and name hb2 ) 1.8 0 1.5
assign (resid 54 and name ha ) (resid 57 and name hb* ) 1.8 0 2.0
assign (resid 55 and name ha ) (resid 58 and name hb ) 1.8 0 1.5
!..............................HELIX 2..................................
!..............................Helix 2 (NH-NH)..................................
assign (resid 123 and name hn ) (resid 122 and name hn ) 1.8 0 1.0
assign (resid 124 and name hn ) (resid 123 and name hn ) 1.8 0 1.0
assign (resid 125 and name hn ) (resid 124 and name hn ) 1.8 0 1.0
assign (resid 126 and name hn ) (resid 125 and name hn ) 1.8 0 1.0
assign (resid 127 and name hn ) (resid 126 and name hn ) 1.8 0 1.0
assign (resid 128 and name hn ) (resid 127 and name hn ) 1.8 0 1.0
assign (resid 129 and name hn ) (resid 128 and name hn ) 1.8 0 2.0
!........................ Helix 1 NH-NH(i+2)..........................
assign (resid 124 and name hn ) (resid 122 and name hn ) 1.8 0 3.2
assign (resid 125 and name hn ) (resid 123 and name hn ) 1.8 0 3.2
assign (resid 128 and name hn ) (resid 126 and name hn ) 1.8 0 3.2
assign (resid 129 and name hn ) (resid 127 and name hn ) 1.8 0 3.2
!........................ Helix 1 NH-NH(i+3)..........................
assign (resid 125 and name hn ) (resid 122 and name hn ) 1.8 0 3.2
assign (resid 128 and name hn ) (resid 125 and name hn ) 1.8 0 3.2
assign (resid 129 and name hn ) (resid 126 and name hn ) 1.8 0 3.2
!........................Helix 1 NH-ha(i-1)............................
assign (resid 123 and name hn ) (resid 122 and name ha ) 1.8 0 3.2
assign (resid 124 and name hn ) (resid 123 and name ha ) 1.8 0 3.2
assign (resid 129 and name hn ) (resid 128 and name ha ) 1.8 0 3.2
!........................Helix 1 NH-ha(i-2)............................
assign (resid 122 and name hn ) (resid 120 and name ha ) 1.8 0 3.2
assign (resid 124 and name hn ) (resid 122 and name ha ) 1.8 0 3.2
assign (resid 125 and name hn ) (resid 123 and name ha ) 1.8 0 3.2
assign (resid 127 and name hn ) (resid 125 and name ha ) 1.8 0 3.2
assign (resid 129 and name hn ) (resid 127 and name ha ) 1.8 0 3.2
!.........................Helix 1 NH-ha(i-3)...............................
assign (resid 123 and name hn ) (resid 120 and name ha ) 1.8 0 3.2
assign (resid 124 and name hn ) (resid 121 and name ha ) 1.8 0 3.2
assign (resid 125 and name hn ) (resid 122 and name ha ) 1.8 0 3.2
assign (resid 126 and name hn ) (resid 123 and name ha ) 1.8 0 3.2
assign (resid 127 and name hn ) (resid 124 and name ha ) 1.8 0 3.2
assign (resid 129 and name hn ) (resid 126 and name ha ) 1.8 0 3.2
!.........................Helix 1 NH-ha(i-4)...............................
assign (resid 125 and name hn ) (resid 121 and name ha ) 1.8 0 3.2
!.........................Helix 2 (ha(i) - hb (i+3)).......................
assign (resid 121 and name ha ) (resid 124 and name hb* ) 1.8 0 2.0
assign (resid 122 and name ha ) (resid 125 and name hb* ) 1.8 0 2.0
assign (resid 123 and name ha ) (resid 126 and name hb* ) 1.8 0 2.0
assign (resid 124 and name ha ) (resid 127 and name hb* ) 1.8 0 2.0
assign (resid 125 and name ha ) (resid 128 and name hb* ) 1.8 0 2.0
!.........................Intra, sequential and medium ....................
assign (resid 2 and name hn ) (resid 2 and name ha ) 1.8 0 3.2
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assign (resid 2 and name hn ) (resid 1 and name ha ) 1.8 0 1.5
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assign (resid 3 and name hn ) (resid 3 and name hg* ) 1.8 0 3.7
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assign (resid 3 and name ha ) (resid 3 and name he* ) 1.8 0 3.2
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assign (resid 3 and name ha ) (resid 2 and name hg* ) 1.8 0 3.7
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assign (resid 4 and name hn ) (resid 4 and name hd2* ) 1.8 0 2.0
assign (resid 4 and name hn ) (resid 3 and name hg* ) 1.8 0 3.7
assign (resid 4 and name hn ) (resid 3 and name hb1 ) 1.8 0 3.2
assign (resid 4 and name hn ) (resid 3 and name hb2 ) 1.8 0 3.2
assign (resid 4 and name hd* ) (resid 3 and name ha ) 1.8 0 5.2
assign (resid 5 and name hn ) (resid 5 and name ha ) 1.8 0 3.2
assign (resid 5 and name hn ) (resid 5 and name hb1 ) 1.8 0 3.2
assign (resid 5 and name hn ) (resid 5 and name hb2 ) 1.8 0 3.2
assign (resid 5 and name hn ) (resid 5 and name hg1 ) 1.8 0 1.5
assign (resid 5 and name hn ) (resid 5 and name hg2 ) 1.8 0 1.5
assign (resid 5 and name ha ) (resid 5 and name hb1 ) 1.8 0 3.2
assign (resid 5 and name ha ) (resid 5 and name hb2 ) 1.8 0 3.2
assign (resid 5 and name ha ) (resid 5 and name hg1 ) 1.8 0 1.5
assign (resid 5 and name ha ) (resid 5 and name hg2 ) 1.8 0 1.5
assign (resid 5 and name hn ) (resid 4 and name hd1*) 1.8 0 2.0
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assign (resid 6 and name hn ) (resid 6 and name hg1* ) 1.8 0 3.7
assign (resid 6 and name hn ) (resid 6 and name hg2* ) 1.8 0 2.0
assign (resid 6 and name hn ) (resid 6 and name hd* ) 1.8 0 4.2
assign (resid 6 and name ha ) (resid 6 and name hg2* ) 1.8 0 4.2
assign (resid 6 and name ha ) (resid 6 and name hd* ) 1.8 0 4.2
assign (resid 6 and name hn ) (resid 5 and name hb2 ) 1.8 0 2.0
assign (resid 6 and name hn ) (resid 5 and name hg1 ) 1.8 0 3.2
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assign (resid 7 and name hn ) (resid 7 and name ha ) 1.8 0 3.2
assign (resid 7 and name hn ) (resid 7 and name hb* ) 1.8 0 2.0
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assign (resid 7 and name hn ) (resid 6 and (name hd* or name hg2*)) 1.8 0 2.5
assign (resid 8 and name hn ) (resid 8 and name ha ) 1.8 0 3.2
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assign (resid 8 and name hn ) (resid 8 and name hg1* ) 1.8 0 2.0
assign (resid 8 and name hn ) (resid 8 and name hg2* ) 1.8 0 4.2
assign (resid 8 and name ha ) (resid 8 and name hb ) 1.8 0 3.2
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assign (resid 8 and name ha ) (resid 8 and name hg2* ) 1.8 0 4.2
assign (resid 8 and name hn ) (resid 7 and name hb* ) 1.8 0 2.5
assign (resid 8 and name hg1*) (resid 7 and name ha ) 1.8 0 4.2
assign (resid 8 and name hg2*) (resid 7 and name ha ) 1.8 0 4.2
assign (resid 9 and name hn ) (resid 9 and name ha1 ) 1.8 0 1.5
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assign (resid 9 and name hn ) (resid 8 and name hg2* ) 1.8 0 2.0
assign (resid 9 and name hn ) (resid 8 and name hg1* ) 1.8 0 4.2
assign (resid 9 and name hn ) (resid 8 and name hb ) 1.8 0 1.5
assign (resid 9 and name ha1 ) (resid 8 and name hg2* ) 1.8 0 2.0
assign (resid 10 and name hn ) (resid 10 and name ha ) 1.8 0 3.2
assign (resid 10 and name hn ) (resid 10 and name hb ) 1.8 0 1.5
assign (resid 10 and name hn ) (resid 10 and name hg1* ) 1.8 0 3.7
assign (resid 10 and name hn ) (resid 10 and name hg2* ) 1.8 0 2.0
assign (resid 10 and name hn ) (resid 10 and name hd* ) 1.8 0 4.2
assign (resid 11 and name hn ) (resid 11 and name ha ) 1.8 0 3.2
assign (resid 11 and name hn ) (resid 11 and name hb ) 1.8 0 1.5
assign (resid 11 and name hn ) (resid 11 and name hg2* ) 1.8 0 2.0
assign (resid 11 and name hn ) (resid 11 and name hd* ) 1.8 0 4.2
assign (resid 11 and name hn ) (resid 10 and name hd* ) 1.8 0 4.2
assign (resid 11 and name ha ) (resid 11 and name hb ) 1.8 0 3.2
assign (resid 11 and name ha ) (resid 11 and name hg2* ) 1.8 0 4.2
assign (resid 11 and name ha ) (resid 11 and name hd* ) 1.8 0 3.5
assign (resid 12 and name hn ) (resid 12 and name ha ) 1.8 0 3.2
assign (resid 12 and name hn ) (resid 12 and name hb* ) 1.8 0 3.7
assign (resid 12 and name hn ) (resid 12 and name hg1 ) 1.8 0 2.0
assign (resid 12 and name hn ) (resid 12 and name hg2 ) 1.8 0 2.0
assign (resid 12 and name hn ) (resid 12 and name hd* ) 1.8 0 3.7
assign (resid 12 and name ha ) (resid 12 and name hb1 ) 1.8 0 2,0
assign (resid 12 and name ha ) (resid 12 and name hb2 ) 1.8 0 2,0
assign (resid 12 and name ha ) (resid 12 and name hg* ) 1.8 0 3.7
assign (resid 12 and name hn ) (resid 11 and name hd* ) 1.8 0 3.2
assign (resid 12 and name ha ) (resid 18 and name hg2* ) 1.8 0 2.5
assign (resid 13 and name hn ) (resid 13 and name ha ) 1.8 0 3.2
assign (resid 13 and name hn ) (resid 13 and name hb1 ) 1.8 0 3.2
assign (resid 13 and name hn ) (resid 13 and name hb2 ) 1.8 0 3.2
assign (resid 13 and name ha ) (resid 13 and name hb1 ) 1.8 0 1.0
assign (resid 13 and name ha ) (resid 13 and name hb2 ) 1.8 0 1.0
assign (resid 13 and name hn ) (resid 12 and name hb* ) 1.8 0 3.7
assign (resid 14 and name hn ) (resid 14 and name ha ) 1.8 0 3.2
assign (resid 14 and name hn ) (resid 14 and name hb* ) 1.8 0 3.7
assign (resid 14 and name hn ) (resid 14 and name hg* ) 1.8 0 3.7
assign (resid 14 and name ha ) (resid 14 and name hb* ) 1.8 0 3.7
assign (resid 14 and name ha ) (resid 14 and name hg* ) 1.8 0 1.5
assign (resid 14 and name hn ) (resid 13 and name ha ) 1.8 0 1.5
assign (resid 14 and name hn ) (resid 13 and name hb1 ) 1.8 0 1.5
assign (resid 14 and name hn ) (resid 13 and name hb2 ) 1.8 0 1.5
assign (resid 14 and name hn ) (resid 13 and name hn ) 1.8 0 3.2
assign (resid 15 and name hn ) (resid 15 and name ha ) 1.8 0 3.2
assign (resid 15 and name hn ) (resid 15 and name hb1 ) 1.8 0 1.0
assign (resid 15 and name hn ) (resid 15 and name hb2 ) 1.8 0 1.5
assign (resid 15 and name ha ) (resid 15 and name hb1 ) 1.8 0 1.5
assign (resid 15 and name ha ) (resid 15 and name hb2 ) 1.8 0 1.0
assign (resid 15 and name hn ) (resid 14 and name ha ) 1.8 0 1.5
assign (resid 15 and name hn ) (resid 14 and name hb1 ) 1.8 0 3.2
assign (resid 15 and name hn ) (resid 14 and name hb2 ) 1.8 0 3.2
assign (resid 15 and name hn ) (resid 14 and name hn ) 1.8 0 1.0
assign (resid 15 and name hn ) (resid 13 and name hb1 ) 1.8 0 3.7
assign (resid 15 and name hn ) (resid 13 and name hb2 ) 1.8 0 3.7
assign (resid 16 and name hn ) (resid 16 and name ha ) 1.8 0 1.5
assign (resid 16 and name hn ) (resid 16 and name hb1 ) 1.8 0 3.2
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assign (resid 16 and name ha ) (resid 16 and name hb1 ) 1.8 0 1.0
assign (resid 16 and name ha ) (resid 16 and name hb2 ) 1.8 0 1.0
assign (resid 16 and name hn ) (resid 15 and name ha ) 1.8 0 3.2
assign (resid 16 and name hn ) (resid 15 and name hb1 ) 1.8 0 3.2
assign (resid 16 and name hn ) (resid 15 and name hb2 ) 1.8 0 3.2
assign (resid 16 and name hn ) (resid 15 and name hn ) 1.8 0 1.0
assign (resid 16 and name hn ) (resid 14 and name hb* ) 1.8 0 3.7
assign (resid 17 and name hn ) (resid 17 and name ha ) 1.8 0 1.5
assign (resid 17 and name hn ) (resid 17 and name hb* ) 1.8 0 3.7
assign (resid 17 and name hn ) (resid 17 and name hg* ) 1.8 0 2.0
assign (resid 17 and name ha ) (resid 17 and name hb* ) 1.8 0 2.0
assign (resid 17 and name ha ) (resid 17 and name hg* ) 1.8 0 3.7
assign (resid 17 and name hn ) (resid 16 and name hn ) 1.8 0 3.2
assign (resid 17 and name hn ) (resid 16 and name ha ) 1.8 0 1.5
assign (resid 17 and name hn ) (resid 16 and name hb1 ) 1.8 0 3.2
assign (resid 17 and name hn ) (resid 16 and name hb2 ) 1.8 0 3.2
assign (resid 17 and name hg* ) (resid 16 and name hn ) 1.8 0 3.7
assign (resid 17 and name hb* ) (resid 15 and name hn ) 1.8 0 3.7
assign (resid 17 and name hg* ) (resid 15 and name hn ) 1.8 0 3.7
assign (resid 17 and name hn ) (resid 15 and name hb1 ) 1.8 0 3.7
assign (resid 17 and name hn ) (resid 15 and name hb2 ) 1.8 0 3.7
assign (resid 18 and name hn ) (resid 18 and name ha ) 1.8 0 3.2
assign (resid 18 and name hn ) (resid 18 and name hb ) 1.8 0 1.5
assign (resid 18 and name hn ) (resid 18 and name hg1* ) 1.8 0 3.7
assign (resid 18 and name hn ) (resid 18 and name hg2* ) 1.8 0 4.2
assign (resid 18 and name hn ) (resid 18 and name hd* ) 1.8 0 2.5
assign (resid 18 and name ha ) (resid 18 and name hb ) 1.8 0 3.2
assign (resid 18 and name ha ) (resid 18 and name hg1* ) 1.8 0 2.0
assign (resid 18 and name ha ) (resid 18 and name hg2* ) 1.8 0 2.0
assign (resid 18 and name ha ) (resid 18 and name hd* ) 1.8 0 4.2
assign (resid 18 and name hn ) (resid 17 and name hb* ) 1.8 0 3.7
assign (resid 18 and name hn ) (resid 17 and name hg* ) 1.8 0 3.7
assign (resid 19 and name hn ) (resid 19 and name ha ) 1.8 0 3.2
assign (resid 19 and name hn ) (resid 19 and name hb* ) 1.8 0 3.7
assign (resid 19 and name hn ) (resid 19 and name hd* ) 1.8 0 3.6
assign (resid 19 and name hn ) (resid 19 and name he* ) 1.8 0 5.3
assign (resid 19 and name ha ) (resid 19 and name hb* ) 1.8 0 3.7
assign (resid 19 and name ha ) (resid 18 and (name hb or name hg11 or name hg12)) 1.8 0 3.2
assign (resid 19 and name ha ) (resid 18 and (name hg2* or name hd*)) 1.8 0 2.5
assign (resid 20 and name hn ) (resid 20 and name ha ) 1.8 0 3.2
assign (resid 20 and name hn ) (resid 20 and name hb ) 1.8 0 1.5
assign (resid 20 and name hn ) (resid 20 and name hd* ) 1.8 0 2.5
assign (resid 20 and name ha ) (resid 20 and name hb ) 1.8 0 3.2
assign (resid 20 and name ha ) (resid 20 and name hg2* ) 1.8 0 2.0
assign (resid 20 and name ha ) (resid 20 and name hd* ) 1.8 0 4.2
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assign (resid 122 and name ha ) (resid 122 and name hb ) 1.8 0 3.2
assign (resid 122 and name ha ) (resid 122 and name hg1* ) 1.8 0 2.5
assign (resid 122 and name ha ) (resid 122 and name hg2* ) 1.8 0 2.5
assign (resid 122 and name hn ) (resid 121 and name ha ) 1.8 0 3.2
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assign (resid 122 and name hn ) (resid 121 and name hg* ) 1.8 0 3.7
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assign (resid 123 and name hn ) (resid 123 and name ha ) 1.8 0 3.2
assign (resid 123 and name hn ) (resid 123 and name hb ) 1.8 0 1.0
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assign (resid 123 and name hn ) (resid 123 and name hg2* ) 1.8 0 4.2
assign (resid 123 and name ha ) (resid 123 and name hb ) 1.8 0 3.2
assign (resid 123 and name ha ) (resid 123 and name hd* ) 1.8 0 2.0
assign (resid 123 and name ha ) (resid 123 and name hg2* ) 1.8 0 4.2
assign (resid 123 and name hn ) (resid 122 and name hb ) 1.8 0 1.5
assign (resid 123 and name hn ) (resid 122 and name hg1* ) 1.8 0 2.5
assign (resid 123 and name hg2* ) (resid 120 and name ha ) 1.8 0 4.2
assign (resid 123 and name hd* ) (resid 120 and name ha ) 1.8 0 4.2
assign (resid 124 and name hn ) (resid 124 and name ha ) 1.8 0 3.2
assign (resid 124 and name hn ) (resid 124 and name hb* ) 1.8 0 2.0
assign (resid 124 and name ha ) (resid 124 and name hb* ) 1.8 0 2.0
assign (resid 124 and name hn ) (resid 123 and name hb ) 1.8 0 3.2
assign (resid 124 and name ha ) (resid 123 and (name hg2* or name hd*)) 1.8 0 2.5
assign (resid 124 and name hb* ) (resid 123 and name hn ) 1.8 0 4.2
assign (resid 124 and name hb* ) (resid 123 and (name hg2* or name hd*)) 1.8 0 4.2
assign (resid 125 and name hn ) (resid 125 and name ha ) 1.8 0 3.2
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assign (resid 125 and name hn ) (resid 125 and name hg* ) 1.8 0 3.7
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assign (resid 125 and name ha ) (resid 125 and name hg* ) 1.8 0 2.0
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assign (resid 125 and name hn ) (resid 124 and name ha ) 1.8 0 3.2
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assign (resid 126 and name hn ) (resid 126 and name ha ) 1.8 0 3.2
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assign (resid 126 and name hn ) (resid 126 and name hg ) 1.8 0 3.7
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assign (resid 126 and name ha ) (resid 126 and name hb* ) 1.8 0 3.7
assign (resid 126 and name ha ) (resid 126 and name hg* ) 1.8 0 3.2
assign (resid 126 and name ha ) (resid 126 and name hd1* ) 1.8 0 4.2
assign (resid 126 and name ha ) (resid 126 and name hd2* ) 1.8 0 2.0
assign (resid 127 and name hn ) (resid 127 and name ha ) 1.8 0 3.2
assign (resid 127 and name hn ) (resid 127 and name hb* ) 1.8 0 1.5
assign (resid 127 and name hn ) (resid 127 and name hg1 ) 1.8 0 3.2
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assign (resid 127 and name ha ) (resid 127 and name hg1 ) 1.8 0 1.5
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assign (resid 127 and name ha ) (resid 127 and name hd* ) 1.8 0 3.5
assign (resid 127 and name hb1 ) (resid 127 and name hd* ) 1.8 0 3.5
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assign (resid 127 and name hg* ) (resid 124 and name hb* ) 1.8 0 4.7
assign (resid 127 and name hd* ) (resid 124 and name hb* ) 1.8 0 4.7
assign (resid 127 and name hg* ) (resid 124 and name ha ) 1.8 0 2.5
assign (resid 127 and name ha ) (resid 123 and name hd* ) 1.8 0 3.2
assign (resid 128 and name hn ) (resid 128 and name ha ) 1.8 0 3.2
assign (resid 128 and name hn ) (resid 128 and name hb1 ) 1.8 0 1.5
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assign (resid 128 and name hn ) (resid 128 and name hg1 ) 1.8 0 3.2
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assign (resid 128 and name ha ) (resid 128 and name hb1 ) 1.8 0 3.2
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assign (resid 128 and name ha ) (resid 128 and name hg1 ) 1.8 0 1.5
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assign (resid 128 and name hn ) (resid 127 and name ha ) 1.8 0 3.2
assign (resid 128 and name hn ) (resid 127 and name hg1 ) 1.8 0 3.2
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assign (resid 129 and name ha ) (resid 129 and name hb1 ) 1.8 0 3.2
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assign (resid 129 and name ha ) (resid 129 and name hg ) 1.8 0 1.5
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assign (resid 129 and name hn ) (resid 127 and name hb1 ) 1.8 0 3.2
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assign (resid 129 and name hn ) (resid 128 and name hb1 ) 1.8 0 3.2
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!.......................Long Range...........................
assign (resid 2 and name hb* ) (resid 78 and name ha ) 1.8 0 3.7
assign (resid 2 and name hb* ) (resid 78 and name hb* ) 1.8 0 4.2
assign (resid 2 and name hb* ) (resid 78 and name hg* ) 1.8 0 4.2
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assign (resid 3 and name ha ) (resid 79 and name hb* ) 1.8 0 3.7
assign (resid 3 and name hb1 ) (resid 79 and name hn ) 1.8 0 3.2
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assign (resid 3 and name ha ) (resid 80 and name ha ) 1.8 0 3.2
assign (resid 4 and name hn ) (resid 79 and name ha ) 1.8 0 3.2
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assign (resid 4 and name hb* ) (resid 79 and name hn ) 1.8 0 3.7
assign (resid 4 and name hd* ) (resid 79 and name hn ) 1.8 0 4.7
assign (resid 4 and name hg ) (resid 79 and name hn ) 1.8 0 3.2
assign (resid 4 and name hn ) (resid 80 and name ha ) 1.8 0 3.2
assign (resid 4 and name hd* ) (resid 80 and name hd* ) 1.8 0 5.7
assign (resid 4 and name hd* ) (resid 80 and name hg1* ) 1.8 0 4.7
assign (resid 4 and name hn ) (resid 81 and name hn ) 1.8 0 3.2
assign (resid 4 and name hd1* ) (resid 81 and name hn ) 1.8 0 4.2
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assign (resid 5 and name hb1 ) (resid 40 and name hg2* ) 1.8 0 3.7
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assign (resid 5 and name hb2 ) (resid 40 and name hg2* ) 1.8 0 3.7
assign (resid 5 and name hb1 ) (resid 41 and name hb1 ) 1.8 0 3.2
assign (resid 5 and name hb1 ) (resid 41 and name hb2 ) 1.8 0 3.2
assign (resid 5 and name hb2 ) (resid 41 and name hb1 ) 1.8 0 3.2
assign (resid 5 and name hb2 ) (resid 41 and name hb2 ) 1.8 0 3.2
assign (resid 5 and name ha ) (resid 81 and name hn ) 1.8 0 3.2
assign (resid 5 and (name hb1 or name hb2)) (resid 81 and name hn ) 1.8 0 3.2
assign (resid 5 and name ha ) (resid 80 and (name hg11 or name hg12)) 1.8 0 3.2
assign (resid 5 and (name hb1 or name hb2)) (resid 83 and name hd1 ) 1.8 0 3.2
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assign (resid 6 and name hn ) (resid 81 and name hn ) 1.8 0 3.2
assign (resid 6 and name hn ) (resid 81 and name hb ) 1.8 0 3.2
assign (resid 6 and name hn ) (resid 82 and name ha ) 1.8 0 3.2
assign (resid 6 and name hd* ) (resid 82 and name hd1* ) 1.8 0 4.2
assign (resid 6 and name hd* ) (resid 82 and name hd1* ) 1.8 0 4.2
assign (resid 6 and name hn ) (resid 83 and name hd1 ) 1.8 0 3.2
assign (resid 6 and name hb ) (resid 83 and name hn ) 1.8 0 3.2 { }
assign (resid 6 and name hg1* ) (resid 83 and name hn ) 1.8 0 4.2 { }
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assign (resid 6 and name hn ) (resid 40 and name hd* ) 1.8 0 4.2
assign (resid 6 and name ha ) (resid 40 and name hn ) 1.8 0 3.2
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assign (resid 7 and name hn ) (resid 40 and name hg2* ) 1.8 0 2.0
assign (resid 7 and name hn ) (resid 40 and name hd* ) 1.8 0 4.2
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assign (resid 7 and name hb* ) (resid 40 and name hd* ) 1.8 0 5.2
assign (resid 7 and name hb* ) (resid 40 and name hb ) 1.8 0 4.2
assign (resid 7 and name hb* ) (resid 40 and name ha ) 1.8 0 2.5
assign (resid 7 and name hn ) (resid 50 and name hg1* ) 1.8 0 4.2
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assign (resid 7 and name ha ) (resid 83 and name hn ) 1.8 0 3.2
assign (resid 7 and name hb* ) (resid 83 and name hn ) 1.8 0 4.2
assign (resid 7 and name ha ) (resid 83 and name hb1 ) 1.8 0 3.2
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assign (resid 7 and name hb* ) (resid 83 and name hb1 ) 1.8 0 4.2
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assign (resid 10 and name ha ) (resid 20 and name ha ) 1.8 0 3.2
assign (resid 10 and (name hb or name hg11 or name hg12 )) (resid 87 and name hn ) 1.8 0 3.2
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assign (resid 11 and (name hg2* or name hd*)) (resid 87 and (name hg2* or name hg1*) ) 1.8 0 4.2
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assign (resid 11 and (name hg2* or name hd*)) (resid 90 and name he3 ) 1.8 0 4.2
assign (resid 11 and name hd*) (resid 95 and name ha ) 1.8 0 4.2
assign (resid 12 and name hg1 ) (resid 16 and name ha ) 1.8 0 3.5
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assign (resid 12 and name hn ) (resid 88 and name ha ) 1.8 0 3.2
assign (resid 12 and name hn ) (resid 90 and (name hz3 or name he3 or name hh2)) 1.8 0 3.2
assign (resid 13 and name hn ) (resid 90 and (name hz3 or name he3 or name hh2)) 1.8 0 3.2
assign (resid 13 and name hn ) (resid 18 and name ha ) 1.8 0 3.2
assign (resid 13 and name hn ) (resid 18 and name hb ) 1.8 0 3.2
assign (resid 13 and name hn ) (resid 18 and name hd* ) 1.8 0 4.2
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assign (resid 17 and name hb1 ) (resid 107 and name hn ) 1.8 0 3.2
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assign (resid 19 and name hb* ) (resid 94 and name hb1 ) 1.8 0 3.2
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assign (resid 19 and name he* ) (resid 96 and name hn ) 1.8 0 5.3
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assign (resid 19 and name hb* ) (resid 103 and name hn ) 1.8 0 3.7
assign (resid 19 and name he* ) (resid 103 and name hn ) 1.8 0 5.3
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assign (resid 20 and name hg2* ) (resid 33 and name hd1* ) 1.8 0 5.2
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assign (resid 20 and name hb ) (resid 34 and name hn ) 1.8 0 3.2
assign (resid 20 and name hd* ) (resid 34 and name ha ) 1.8 0 4.2
assign (resid 20 and name hg1* ) (resid 33 and name hd1* ) 1.8 0 5.2
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assign (resid 33 and (name hd1* or name hd2*)) (resid 115 and name hn ) 1.8 0 4.2
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assign (resid 33 and name hn ) (resid 114 and (name hb1 or name hb2)) 1.8 0 3.2
assign (resid 33 and (name hb1 or name hb2)) (resid 114 and name hn ) 1.8 0 3.2
assign (resid 33 and (name hd1* or name hd2*)) (resid 114 and name hn ) 1.8 0 3.2
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