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
616377 5vj8 30284 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


# Restraints file 2: hbn_170228c.tbl
!! Amide HN-O hydrogen bonds for Y. pestis Ail in DMPC/DMPG nanodiscs
!! Inferred from amide HN-HN NOEs and the h/D exchange data.

! beta 1 and beta 2
!=====================================================================
assign (resid    5 and name   HN)   (resid  34 and name   O)    2.100    0.300    0.300
assign (resid    7 and name   HN)   (resid  32 and name   O)    2.100    0.300    0.300
assign (resid    9 and name   HN)   (resid  30 and name   O)    2.100    0.300    0.300
assign (resid   34 and name   HN)   (resid   5 and name   O)    2.100    0.300    0.300
assign (resid   32 and name   HN)   (resid   7 and name   O)    2.100    0.300    0.300
assign (resid   30 and name   HN)   (resid   9 and name   O)    2.100    0.300    0.300

! beta 2 and beta 3
!=====================================================================
assign (resid   49 and name   HN)   (resid  29 and name   O)    2.100    0.300    0.300
assign (resid   47 and name   HN)   (resid  31 and name   O)    2.100    0.300    0.300
assign (resid   45 and name   HN)   (resid  33 and name   O)    2.100    0.300    0.300
assign (resid   43 and name   HN)   (resid  35 and name   O)    2.100    0.300    0.300
assign (resid   31 and name   HN)   (resid  47 and name   O)    2.100    0.300    0.300
assign (resid   33 and name   HN)   (resid  45 and name   O)    2.100    0.300    0.300
assign (resid   35 and name   HN)   (resid  43 and name   O)    2.100    0.300    0.300

! beta 3 and beta 4
!=====================================================================
assign (resid   42 and name   HN)   (resid  78 and name   O)    2.100    0.300    0.300
assign (resid   44 and name   HN)   (resid  76 and name   O)    2.100    0.300    0.300
assign (resid   46 and name   HN)   (resid  74 and name   O)    2.100    0.300    0.300
assign (resid   48 and name   HN)   (resid  72 and name   O)    2.100    0.300    0.300
assign (resid   50 and name   HN)   (resid  70 and name   O)    2.100    0.300    0.300
assign (resid   78 and name   HN)   (resid  42 and name   O)    2.100    0.300    0.300
assign (resid   76 and name   HN)   (resid  44 and name   O)    2.100    0.300    0.300
assign (resid   74 and name   HN)   (resid  46 and name   O)    2.100    0.300    0.300
assign (resid   72 and name   HN)   (resid  48 and name   O)    2.100    0.300    0.300

! beta 4 and beta 5
!=====================================================================
assign (resid   71 and name   HN)   (resid  95 and name   O)    2.100    0.300    0.300
assign (resid   73 and name   HN)   (resid  93 and name   O)    2.100    0.300    0.300
assign (resid   75 and name   HN)   (resid  91 and name   O)    2.100    0.300    0.300
assign (resid   79 and name   HN)   (resid  87 and name   O)    2.100    0.300    0.300
assign (resid   81 and name   HN)   (resid  85 and name   O)    2.100    0.300    0.300
assign (resid   95 and name   HN)   (resid  71 and name   O)    2.100    0.300    0.300
assign (resid   93 and name   HN)   (resid  73 and name   O)    2.100    0.300    0.300
assign (resid   91 and name   HN)   (resid  75 and name   O)    2.100    0.300    0.300
assign (resid   89 and name   HN)   (resid  77 and name   O)    2.100    0.300    0.300
assign (resid   87 and name   HN)   (resid  79 and name   O)    2.100    0.300    0.300
!!!assign (resid   85 and name   HN)   (resid  82 and name   O)    2.100    0.300    0.300

! beta 5 and beta 6
!=====================================================================
assign (resid   86 and name   HN)   (resid 122 and name   O)    2.100    0.300    0.300
assign (resid   88 and name   HN)   (resid 120 and name   O)    2.100    0.300    0.300
assign (resid   90 and name   HN)   (resid 118 and name   O)    2.100    0.300    0.300
assign (resid   92 and name   HN)   (resid 116 and name   O)    2.100    0.300    0.300
assign (resid   94 and name   HN)   (resid 114 and name   O)    2.100    0.300    0.300
assign (resid  122 and name   HN)   (resid  86 and name   O)    2.100    0.300    0.300
assign (resid  120 and name   HN)   (resid  88 and name   O)    2.100    0.300    0.300
assign (resid  118 and name   HN)   (resid  90 and name   O)    2.100    0.300    0.300
assign (resid  116 and name   HN)   (resid  92 and name   O)    2.100    0.300    0.300

! beta 6 and beta 7
!=====================================================================
assign (resid  117 and name   HN)   (resid 137 and name   O)    2.100    0.300    0.300
assign (resid  119 and name   HN)   (resid 135 and name   O)    2.100    0.300    0.300
assign (resid  121 and name   HN)   (resid 133 and name   O)    2.100    0.300    0.300
assign (resid  123 and name   HN)   (resid 131 and name   O)    2.100    0.300    0.300
assign (resid  137 and name   HN)   (resid 117 and name   O)    2.100    0.300    0.300
assign (resid  135 and name   HN)   (resid 119 and name   O)    2.100    0.300    0.300
assign (resid  133 and name   HN)   (resid 121 and name   O)    2.100    0.300    0.300
assign (resid  131 and name   HN)   (resid 123 and name   O)    2.100    0.300    0.300

! beta 7 and beta 8
!=====================================================================
assign (resid  130 and name   HN)   (resid 153 and name   O)    2.100    0.300    0.300
assign (resid  132 and name   HN)   (resid 151 and name   O)    2.100    0.300    0.300
assign (resid  134 and name   HN)   (resid 149 and name   O)    2.100    0.300    0.300
assign (resid  136 and name   HN)   (resid 147 and name   O)    2.100    0.300    0.300
assign (resid  138 and name   HN)   (resid 145 and name   O)    2.100    0.300    0.300
assign (resid  153 and name   HN)   (resid 130 and name   O)    2.100    0.300    0.300
assign (resid  151 and name   HN)   (resid 132 and name   O)    2.100    0.300    0.300
assign (resid  149 and name   HN)   (resid 134 and name   O)    2.100    0.300    0.300
assign (resid  147 and name   HN)   (resid 136 and name   O)    2.100    0.300    0.300
assign (resid  145 and name   HN)   (resid 138 and name   O)    2.100    0.300    0.300

! beta 8 and beta 1
!=====================================================================
assign (resid  148 and name   HN)   (resid  12 and name   O)    2.100    0.300    0.300
assign (resid  150 and name   HN)   (resid  10 and name   O)    2.100    0.300    0.300
assign (resid  152 and name   HN)   (resid   8 and name   O)    2.100    0.300    0.300
assign (resid  154 and name   HN)   (resid   6 and name   O)    2.100    0.300    0.300
assign (resid   12 and name   HN)   (resid 148 and name   O)    2.100    0.300    0.300
assign (resid   10 and name   HN)   (resid 150 and name   O)    2.100    0.300    0.300
assign (resid    8 and name   HN)   (resid 152 and name   O)    2.100    0.300    0.300
assign (resid    6 and name   HN)   (resid 154 and name   O)    2.100    0.300    0.300


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