NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
10606 1q27 5570 cing recoord 1-original 2 XPLOR/CNS distance NOE simple


!  Amide to amide.
! remarks  Ni-Ni+1
! strong 1.2 (3.0 A), medium, 1.7 (3.5 A), weak 3.2 (5.0 A)
! typically 2.8 Ang. in helix, 4.3 Ang. in beta strand
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 1.8 0.0 3.2
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 1.8 0.0 3.2
assign (resid    9 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 3.2
assign (resid   11 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 3.2
assign (resid   11 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 3.2
assign (resid   13 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 3.2
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 3.2
assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 3.2
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 1.7
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 1.8 0.0 2.2 
assign (resid   15 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 1.7
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 1.2
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 3.2
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 1.8 0.0 3.2
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 1.7
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 3.2
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 1.8 0.0 3.2
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 1.8 0.0 1.7
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 1.7
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 1.8 0.0 1.2
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 1.8 0.0 3.2
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 1.8 0.0 3.2
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 1.8 0.0 3.2
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 1.8 0.0 1.7
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 1.8 0.0 1.7
assign (resid   36 and  name HN   )(resid   78 and  name HE*  ) 1.8 0.0 5.2
assign (resid   36 and  name HN   )(resid   78 and  name HD*  ) 1.8 0.0 5.2
assign (resid   37 and  name HN   )(resid   70 and  name HN   ) 1.8 0.0 3.2
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 1.8 0.0 3.2
assign (resid   38 and  name HN   )(resid  119 and  name HN   ) 1.8 0.0 3.2
assign (resid   38 and  name HN   )(resid  119 and  name HD*  ) 1.8 0.0 5.2
assign (resid   38 and  name HN   )(resid  119 and  name HE*  ) 1.8 0.0 5.2
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 1.8 0.0 3.2
assign (resid   39 and  name HN   )(resid   68 and  name HN   ) 1.8 0.0 1.7
assign (resid   40 and  name HN   )(resid  121 and  name HN   ) 1.8 0.0 3.2
assign (resid   41 and  name HN   )(resid   67 and  name HN   ) 1.8 0.0 3.2
assign (resid   41 and  name HN   )(resid   40 and  name HD*  ) 1.8 0.0 3.2
assign (resid   42 and  name HN   )(resid  121 and  name HN   ) 1.8 0.0 3.2
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 1.8 0.0 3.2
assign (resid   42 and  name HN   )(resid  123 and  name HN   ) 1.8 0.0 3.2
assign (resid   43 and  name HN   )(resid   49 and  name HN   ) 1.8 0.0 4.2
assign (resid   43 and  name HN   )(resid   47 and  name HN   ) 1.8 0.0 3.2
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 1.8 0.0 1.7
assign (resid   44 and  name HN   )(resid   43 and  name HD22 ) 1.8 0.0 4.2
assign (resid   45 and  name HN   )(resid   46 and  name HN   ) 1.8 0.0 1.7
assign (resid   45 and  name HN   )(resid   47 and  name HN   ) 1.8 0.0 3.2
assign (resid   45 and  name HN   )(resid   43 and  name HD22 ) 1.8 0.0 4.2
assign (resid   47 and  name HN   )(resid   48 and  name HN   ) 1.8 0.0 3.2
assign (resid   47 and  name HN   )(resid   43 and  name HD22 ) 1.8 0.0 4.2
assign (resid   56 and  name HN   )(resid   57 and  name HN   ) 1.8 0.0 1.7
assign (resid   63 and  name HN   )(resid   64 and  name HN   ) 1.8 0.0 3.2
assign (resid   64 and  name HN   )(resid   65 and  name HN   ) 1.8 0.0 3.2
assign (resid   65 and  name HN   )(resid   66 and  name HN   ) 1.8 0.0 3.2
assign (resid   67 and  name HN   )(resid   68 and  name HN   ) 1.8 0.0 1.7
assign (resid   68 and  name HN   )(resid   69 and  name HN   ) 1.8 0.0 3.2
assign (resid   70 and  name HN   )(resid   69 and  name HN   ) 1.8 0.0 3.2
assign (resid   71 and  name HN   )(resid   72 and  name HN   ) 1.8 0.0 3.2
assign (resid   73 and  name HN   )(resid   74 and  name HN   ) 1.8 0.0 3.2
assign (resid   75 and  name HN   )(resid   76 and  name HN   ) 1.8 0.0 1.7
assign (resid   77 and  name HN   )(resid   78 and  name HN   ) 1.8 0.0 3.2
assign (resid   78 and  name HN   )(resid   79 and  name HN   ) 1.8 0.0 1.7
assign (resid   79 and  name HN   )(resid   80 and  name HN   ) 1.8 0.0 1.7
assign (resid   79 and  name HN   )(resid   81 and  name HN   ) 1.8 0.0 3.2
assign (resid   79 and  name HN   )(resid   78 and  name HD*  ) 1.8 0.0 5.2
assign (resid   80 and  name HN   )(resid   81 and  name HN   ) 1.8 0.0 1.7
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 1.8 0.0 3.2
assign (resid   82 and  name HN   )(resid   83 and  name HN   ) 1.8 0.0 1.7
assign (resid   84 and  name HN   )(resid   85 and  name HN   ) 1.8 0.0 1.7
assign (resid   85 and  name HN   )(resid   86 and  name HN   ) 1.8 0.0 1.7
assign (resid   86 and  name HN   )(resid   87 and  name HN   ) 1.8 0.0 1.7
assign (resid   87 and  name HN   )(resid   88 and  name HN   ) 1.8 0.0 1.2 
assign (resid   88 and  name HN   )(resid   89 and  name HN   ) 1.8 0.0 1.7
assign (resid   89 and  name HN   )(resid   90 and  name HN   ) 1.8 0.0 1.2
assign (resid   89 and  name HN   )(resid   91 and  name HN   ) 1.8 0.0 3.2
assign (resid   90 and  name HN   )(resid   88 and  name HN   ) 1.8 0.0 3.7
assign (resid   90 and  name HN   )(resid   91 and  name HN   ) 1.8 0.0 1.2
assign (resid   90 and  name HN   )(resid   92 and  name HN   ) 1.8 0.0 3.2
assign (resid   91 and  name HN   )(resid   92 and  name HN   ) 1.8 0.0 1.2 
assign (resid   92 and  name HN   )(resid   93 and  name HN   ) 1.8 0.0 3.2
assign (resid   93 and  name HN   )(resid   94 and  name HN   ) 1.8 0.0 3.2
assign (resid   94 and  name HN   )(resid   95 and  name HN   ) 1.8 0.0 3.2
assign (resid   95 and  name HN   )(resid   96 and  name HN   ) 1.8 0.0 1.2
assign (resid   96 and  name HN   )(resid   97 and  name HN   ) 1.8 0.0 1.7
assign (resid   97 and  name HN   )(resid   98 and  name HN   ) 1.8 0.0 1.2
assign (resid   98 and  name HN   )(resid   99 and  name HN   ) 1.8 0.0 3.2
assign (resid   99 and  name HN   )(resid   99 and  name HD1  ) 1.8 0.0 1.7
assign (resid   99 and  name HN   )(resid  100 and  name HN   ) 1.8 0.0 3.2
assign (resid  102 and  name HN   )(resid  103 and  name HN   ) 1.8 0.0 1.2
assign (resid  102 and  name HN   )(resid  119 and  name HD*  ) 1.8 0.0 5.2
assign (resid  102 and  name HN   )(resid  119 and  name HE*  ) 1.8 0.0 6.2
assign (resid  103 and  name HN   )(resid  118 and  name HN   ) 1.8 0.0 1.7
assign (resid  103 and  name HN   )(resid  104 and  name HN   ) 1.8 0.0 3.2
assign (resid  104 and  name HN   )(resid  105 and  name HN   ) 1.8 0.0 3.2
assign (resid  105 and  name HN   )(resid  106 and  name HN   ) 1.8 0.0 3.2
assign (resid  105 and  name HN   )(resid  116 and  name HN   ) 1.8 0.0 3.2
assign (resid  108 and  name HN   )(resid  109 and  name HN   ) 1.8 0.0 1.7
assign (resid  108 and  name HN   )(resid  110 and  name HN   ) 1.8 0.0 1.7
assign (resid  109 and  name HN   )(resid  110 and  name HN   ) 1.8 0.0 1.2 
assign (resid  110 and  name HN   )(resid  111 and  name HN   ) 1.8 0.0 3.2
assign (resid  111 and  name HN   )(resid  112 and  name HN   ) 1.8 0.0 1.7
assign (resid  112 and  name HN   )(resid  113 and  name HN   ) 1.8 0.0 3.2
assign (resid  112 and  name HN   )(resid  114 and  name HN   ) 1.8 0.0 3.2
assign (resid  113 and  name HN   )(resid  114 and  name HN   ) 1.8 0.0 1.7
assign (resid  114 and  name HN   )(resid  115 and  name HN   ) 1.8 0.0 3.2
assign (resid  116 and  name HN   )(resid  116 and  name HA   ) 1.8 0.0 3.2
assign (resid  117 and  name HN   )(resid  116 and  name HA   ) 1.8 0.0 1.7
assign (resid  117 and  name HN   )(resid  118 and  name HN   ) 1.8 0.0 3.2
assign (resid  118 and  name HN   )(resid  119 and  name HN   ) 1.8 0.0 3.2
assign (resid  119 and  name HN   )(resid  120 and  name HN   ) 1.8 0.0 3.2
assign (resid  120 and  name HN   )(resid  119 and  name HD*  ) 1.8 0.0 3.7
assign (resid  120 and  name HN   )(resid  102 and  name HN   ) 1.8 0.0 3.2
assign (resid  122 and  name HN   )(resid  123 and  name HN   ) 1.8 0.0 3.2
assign (resid  123 and  name HN   )(resid  124 and  name HN   ) 1.8 0.0 3.2
assign (resid  124 and  name HN   )(resid  125 and  name HN   ) 1.8 0.0 1.7
assign (resid  125 and  name HN   )(resid  126 and  name HN   ) 1.8 0.0 3.2
assign (resid  128 and  name HN   )(resid  129 and  name HN   ) 1.8 0.0 3.2
assign (resid  129 and  name HN   )(resid  130 and  name HN   ) 1.8 0.0 3.2
assign (resid  132 and  name HN   )(resid  130 and  name HD22 ) 1.8 0.0 4.2
assign (resid  132 and  name HN   )(resid  130 and  name HD21 ) 1.8 0.0 4.2
assign (resid  132 and  name HN   )(resid  133 and  name HN   ) 1.8 0.0 1.2
assign (resid  132 and  name HN   )(resid  134 and  name HN   ) 1.8 0.0 1.7
assign (resid  132 and  name HN   )(resid  135 and  name HN   ) 1.8 0.0 3.2
assign (resid  133 and  name HN   )(resid  134 and  name HN   ) 1.8 0.0 1.2
assign (resid  135 and  name HN   )(resid  136 and  name HN   ) 1.8 0.0 1.2
assign (resid  136 and  name HN   )(resid  137 and  name HN   ) 1.8 0.0 3.2
assign (resid  137 and  name HN   )(resid  138 and  name HN   ) 1.8 0.0 3.2
assign (resid  138 and  name HN   )(resid  139 and  name HN   ) 1.8 0.0 3.2
assign (resid  139 and  name HN   )(resid  140 and  name HN   ) 1.8 0.0 3.2
assign (resid  141 and  name HN   )(resid  144 and  name HN   ) 1.8 0.0 3.2
assign (resid  143 and  name HN   )(resid  144 and  name HN   ) 1.8 0.0 1.2
assign (resid  143 and  name HN   )(resid  145 and  name HN   ) 1.8 0.0 3.2
assign (resid  144 and  name HN   )(resid  145 and  name HN   ) 1.8 0.0 1.2
assign (resid  144 and  name HN   )(resid  146 and  name HN   ) 1.8 0.0 3.2
assign (resid  145 and  name HN   )(resid  146 and  name HN   ) 1.8 0.0 1.7
assign (resid  146 and  name HN   )(resid  147 and  name HN   ) 1.8 0.0 1.2
assign (resid  147 and  name HN   )(resid  148 and  name HN   ) 1.8 0.0 1.7
assign (resid  149 and  name HN   )(resid  150 and  name HN   ) 1.8 0.0 1.7
assign (resid  150 and  name HN   )(resid  151 and  name HN   ) 1.8 0.0 1.7
assign (resid  150 and  name HN   )(resid  152 and  name HN   ) 1.8 0.0 3.2
assign (resid  151 and  name HN   )(resid  152 and  name HN   ) 1.8 0.0 1.7
assign (resid  151 and  name HN   )(resid  153 and  name HN   ) 1.8 0.0 3.2
assign (resid  152 and  name HN   )(resid  153 and  name HN   ) 1.8 0.0 1.7
assign (resid  153 and  name HN   )(resid  154 and  name HN   ) 1.8 0.0 1.7
assign (resid  154 and  name HN   )(resid  155 and  name HN   ) 1.8 0.0 1.7
assign (resid  155 and  name HN   )(resid  156 and  name HN   ) 1.8 0.0 3.2
assign (resid  159 and  name HN   )(resid  160 and  name HN   ) 1.8 0.0 1.7
assign (resid  160 and  name HN   )(resid  161 and  name HN   ) 1.8 0.0 1.7
assign (resid  160 and  name HN   )(resid  162 and  name HN   ) 1.8 0.0 3.2
assign (resid  161 and  name HN   )(resid  162 and  name HN   ) 1.8 0.0 1.7
assign (resid  162 and  name HN   )(resid  163 and  name HN   ) 1.8 0.0 1.7
assign (resid  163 and  name HN   )(resid  164 and  name HN   ) 1.8 0.0 1.7
assign (resid  165 and  name HN   )(resid  166 and  name HN   ) 1.8 0.0 1.7
assign (resid  165 and  name HN   )(resid  167 and  name HN   ) 1.8 0.0 3.2
assign (resid  166 and  name HN   )(resid  167 and  name HN   ) 1.8 0.0 1.2
assign (resid  166 and  name HN   )(resid  168 and  name HN   ) 1.8 0.0 3.2
assign (resid  167 and  name HN   )(resid  168 and  name HN   ) 1.8 0.0 1.2
assign (resid  167 and  name HN   )(resid  167 and  name HD*  ) 1.8 0.0 3.7
assign (resid  167 and  name HN   )(resid  167 and  name HE*  ) 1.8 0.0 5.2
assign (resid  168 and  name HN   )(resid  169 and  name HN   ) 1.8 0.0 1.2
assign (resid  168 and  name HN   )(resid  167 and  name HD*  ) 1.8 0.0 5.2
! amide to side chain  
!NH to a-1 3.0 in B-sheet or helix if strong; otherwise, 3.5 (med) and 5.0 (weak) 
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 1.8 0.0 1.2
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 1.8 0.0 1.7
assign (resid    6 and  name HN   )(resid    5 and  name HB*  ) 1.8 0.0 3.2
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 1.8 0.0 1.2
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 1.8 0.0 1.7
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 1.8 0.0 1.2
assign (resid    9 and  name HN   )(resid    8 and  name HD*  ) 1.8 0.0 5.2
assign (resid    9 and  name HN   )(resid    8 and  name HB1  ) 1.8 0.0 2.7
assign (resid    9 and  name HN   )(resid    8 and  name HB2  ) 1.8 0.0 2.7
assign (resid    9 and  name HN   )(resid    8 and  name HG*  ) 1.8 0.0 4.2
assign (resid    9 and  name HN   )(resid   23 and  name HA   ) 1.8 0.0 1.7
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 1.8 0.0 1.2
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 1.8 0.0 1.7
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 1.8 0.4 1.7
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 1.8 0.0 0.7 
assign (resid   11 and  name HN   )(resid   21 and  name HA   ) 1.8 0.0 1.7
assign (resid   11 and  name HN   )(resid   10 and  name HB1  ) 1.8 0.0 4.2
assign (resid   11 and  name HN   )(resid   10 and  name HB2  ) 1.8 0.0 4.2
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 1.8 0.0 0.7
assign (resid   12 and  name HN   )(resid   11 and  name HD*  ) 1.8 0.0 3.7
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 1.7
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 0.7
assign (resid   13 and  name HN   )(resid   18 and  name HA   ) 1.8 0.0 1.7
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 1.7
assign (resid   14 and  name HN   )(resid   13 and  name HB1  ) 1.8 0.0 2.2
assign (resid   14 and  name HN   )(resid   13 and  name HB2  ) 1.8 0.0 2.2
assign (resid   14 and  name HN   )(resid   12 and  name HG1* ) 1.8 0.0 3.2 
assign (resid   14 and  name HN   )(resid   12 and  name HG2* ) 1.8 0.0 3.2 
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 1.8 0.0 1.7
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 1.8 0.0 1.7
assign (resid   15 and  name HN   )(resid   13 and  name HB1  ) 1.8 0.0 4.2
assign (resid   15 and  name HN   )(resid   13 and  name HB2  ) 1.8 0.0 4.2
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 1.8 0.0 1.7
assign (resid   16 and  name HN   )(resid   15 and  name HG*  ) 1.8 0.0 4.2
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 1.8 0.0 1.7
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 1.8 0.0 1.7
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 1.8 0.0 1.7
assign (resid   17 and  name HN   )(resid   12 and  name HG1* ) 1.8 0.0 3.2 
assign (resid   17 and  name HN   )(resid   12 and  name HG2* ) 1.8 0.0 3.2 
assign (resid   17 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 3.2
assign (resid   17 and  name HN   )(resid   16 and  name HB1  ) 1.8 0.0 4.2
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 1.8 0.0 1.2
assign (resid   18 and  name HN   )(resid   17 and  name HG*  ) 1.8 0.0 2.7
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 1.8 0.0 1.7
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 1.8 0.0 1.7
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 1.8 0.0 1.7
assign (resid   19 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 1.7
assign (resid   20 and  name HN   )(resid   20 and  name HA1  ) 1.8 0.0 2.2
assign (resid   20 and  name HN   )(resid   20 and  name HA2  ) 1.8 0.0 2.2
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 1.8 0.0 1.7
assign (resid   20 and  name HN   )(resid   12 and  name HA   ) 1.8 0.0 3.2
assign (resid   20 and  name HN   )(resid   18 and  name HA   ) 1.8 0.0 2.2 
assign (resid   20 and  name HN   )(resid   19 and  name HG1* ) 1.8 0.0 2.7
assign (resid   20 and  name HN   )(resid   19 and  name HG2* ) 1.8 0.0 2.7
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 1.8 0.0 1.7
assign (resid   21 and  name HN   )(resid   20 and  name HA1  ) 1.8 0.0 1.7
assign (resid   21 and  name HN   )(resid   20 and  name HA2  ) 1.8 0.0 1.7
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 1.8 0.0 1.2
assign (resid   22 and  name HN   )(resid   10 and  name HA   ) 1.8 0.0 1.7 
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 1.8 0.0 1.7
assign (resid   22 and  name HN   )(resid   21 and  name HG1  ) 1.8 0.0 4.2
assign (resid   22 and  name HN   )(resid   21 and  name HG2  ) 1.8 0.0 4.2
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 1.8 0.0 2.2
assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 1.8 0.0 1.2
assign (resid   23 and  name HN   )(resid   26 and  name HB1  ) 1.8 0.0 4.2
assign (resid   23 and  name HN   )(resid   26 and  name HB2  ) 1.8 0.0 4.2
assign (resid   23 and  name HN   )(resid   22 and  name HG2* ) 1.8 0.0 4.2
assign (resid   23 and  name HN   )(resid   22 and  name HD*  ) 1.8 0.0 4.2
assign (resid   24 and  name HN   )(resid   23 and  name HA   ) 1.8 0.0 1.2
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 1.8 0.0 1.2
assign (resid   24 and  name HN   )(resid    8 and  name HA   ) 1.8 0.0 1.7
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 1.8 0.0 1.7
assign (resid   25 and  name HN   )(resid   24 and  name HA   ) 1.8 0.0 2.2
assign (resid   26 and  name HN   )(resid   25 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   26 and  name HN   )(resid   25 and  name HA   ) 1.8 0.0 1.7
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 1.8 0.0 1.2
assign (resid   26 and  name HN   )(resid   27 and  name HD1  ) 1.8 0.0 4.2
assign (resid   26 and  name HN   )(resid   27 and  name HD2  ) 1.8 0.0 4.2
assign (resid   26 and  name HN   )(resid   23 and  name HB1  ) 1.8 0.0 2.7 
assign (resid   26 and  name HN   )(resid   23 and  name HB2  ) 1.8 0.0 2.7 
assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 1.8 0.0 1.7
assign (resid   28 and  name HN   )(resid   26 and  name HA   ) 1.8 0.0 3.2
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 1.8 0.0 1.2
assign (resid   28 and  name HN   )(resid   27 and  name HB1  ) 1.8 0.0 4.2
assign (resid   28 and  name HN   )(resid   27 and  name HB2  ) 1.8 0.0 4.2
assign (resid   28 and  name HN   )(resid   27 and  name HD1  ) 1.8 0.0 2.7
assign (resid   28 and  name HN   )(resid   27 and  name HD2  ) 1.8 0.0 2.7
assign (resid   29 and  name HN   )(resid   28 and  name HA   ) 1.8 0.0 1.7
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 1.8 0.0 1.7
assign (resid   29 and  name HN   )(resid   26 and  name HB1  ) 1.8 0.0 4.2
assign (resid   29 and  name HN   )(resid   26 and  name HB2  ) 1.8 0.0 4.2
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 1.8 0.0 1.7
assign (resid   30 and  name HN   )(resid   29 and  name HA   ) 1.8 0.0 1.2
assign (resid   30 and  name HN   )(resid   29 and  name HG   ) 1.8 0.0 3.2
assign (resid   30 and  name HN   )(resid   29 and  name HD1* ) 1.8 0.0 4.2 
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assign (resid  103 and  name HN   )(resid  102 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  103 and  name HN   )(resid  102 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  103 and  name HN   )(resid  118 and  name HG1* ) 1.8 0.0 4.2
assign (resid  104 and  name HN   )(resid  103 and  name HA   ) 1.8 0.0 1.2
assign (resid  104 and  name HN   )(resid  103 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  105 and  name HN   )(resid  104 and  name HA   ) 1.8 0.0 1.7
assign (resid  105 and  name HN   )(resid  117 and  name HA   ) 1.8 0.0 1.7
assign (resid  105 and  name HN   )(resid  104 and  name HB1  ) 1.8 0.0 4.2
assign (resid  105 and  name HN   )(resid  104 and  name HB2  ) 1.8 0.0 4.2
assign (resid  105 and  name HN   )(resid  112 and  name HD1* ) 1.8 0.0 4.2
assign (resid  105 and  name HN   )(resid  112 and  name HD2* ) 1.8 0.0 4.2
assign (resid  106 and  name HN   )(resid  105 and  name HA   ) 1.8 0.0 1.2
assign (resid  106 and  name HN   )(resid  105 and  name HB1  ) 1.8 0.0 4.2
assign (resid  106 and  name HN   )(resid  105 and  name HB2  ) 1.8 0.0 4.2
assign (resid  108 and  name HN   )(resid  108 and  name HA   ) 1.8 0.0 1.7
assign (resid  108 and  name HN   )(resid  107 and  name HA   ) 1.8 0.0 3.2
assign (resid  108 and  name HN   )(resid  107 and  name HB*  ) 1.8 0.0 4.2
assign (resid  109 and  name HN   )(resid  108 and  name HA   ) 1.8 0.0 3.2
assign (resid  109 and  name HN   )(resid  109 and  name HA   ) 1.8 0.0 1.7
assign (resid  110 and  name HN   )(resid  110 and  name HA   ) 1.8 0.0 1.7
assign (resid  110 and  name HN   )(resid  108 and  name HA   ) 1.8 0.0 4.2
assign (resid  110 and  name HN   )(resid  109 and  name HB*  ) 1.8 0.0 2.7
assign (resid  110 and  name HN   )(resid  109 and  name HG*  ) 1.8 0.0 4.2
assign (resid  111 and  name HN   )(resid  110 and  name HB   ) 1.8 0.0 1.7
assign (resid  111 and  name HN   )(resid  111 and  name HA   ) 1.8 0.0 1.7
assign (resid  112 and  name HN   )(resid  112 and  name HA   ) 1.8 0.0 1.7
assign (resid  112 and  name HN   )(resid  111 and  name HG2* ) 1.8 0.0 3.2
assign (resid  112 and  name HN   )(resid  116 and  name HE*  ) 1.8 0.0 4.2
assign (resid  113 and  name HN   )(resid  112 and  name HA   ) 1.8 0.0 1.2
assign (resid  113 and  name HN   )(resid  113 and  name HA   ) 1.8 0.0 1.7
assign (resid  113 and  name HN   )(resid  112 and  name HB*  ) 1.8 0.0 4.2
assign (resid  113 and  name HN   )(resid  112 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  113 and  name HN   )(resid  112 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  113 and  name HN   )(resid  116 and  name HE*  ) 1.8 0.0 3.2
assign (resid  114 and  name HN   )(resid  114 and  name HA   ) 1.8 0.0 1.7
assign (resid  114 and  name HN   )(resid  113 and  name HA   ) 1.8 0.0 1.7
assign (resid  114 and  name HN   )(resid  112 and  name HA   ) 1.8 0.0 3.2
assign (resid  114 and  name HN   )(resid  112 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  114 and  name HN   )(resid  112 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  114 and  name HN   )(resid  116 and  name HE*  ) 1.8 0.0 2.7
assign (resid  115 and  name HN   )(resid  115 and  name HA   ) 1.8 0.0 2.2
assign (resid  115 and  name HN   )(resid  114 and  name HA   ) 1.8 0.0 1.2
assign (resid  115 and  name HN   )(resid   34 and  name HA   ) 1.8 0.0 3.2
assign (resid  115 and  name HN   )(resid  114 and  name HB*  ) 1.8 0.0 2.7
assign (resid  116 and  name HN   )(resid  115 and  name HA   ) 1.8 0.0 1.2
assign (resid  116 and  name HN   )(resid  105 and  name HB1  ) 1.8 0.0 4.2
assign (resid  116 and  name HN   )(resid  105 and  name HB2  ) 1.8 0.0 4.2
assign (resid  117 and  name HN   )(resid   37 and  name HA   ) 1.8 0.0 1.7
assign (resid  117 and  name HN   )(resid  117 and  name HA   ) 1.8 0.0 2.2
assign (resid  118 and  name HN   )(resid  117 and  name HA   ) 1.8 0.0 1.2
assign (resid  118 and  name HN   )(resid  101 and  name HA   ) 1.8 0.0 3.2 
assign (resid  118 and  name HN   )(resid  118 and  name HA   ) 1.8 0.0 1.7
assign (resid  118 and  name HN   )(resid  117 and  name HB1  ) 1.8 0.0 2.7
assign (resid  118 and  name HN   )(resid  117 and  name HB2  ) 1.8 0.0 2.7
assign (resid  119 and  name HN   )(resid  119 and  name HA   ) 1.8 0.0 2.2
assign (resid  119 and  name HN   )(resid  118 and  name HA   ) 1.8 0.0 1.2
assign (resid  119 and  name HN   )(resid   39 and  name HA   ) 1.8 0.0 1.7
assign (resid  119 and  name HN   )(resid  118 and  name HB   ) 3.5 1.7 3.0
assign (resid  119 and  name HN   )(resid  118 and  name HG1* ) 1.8 0.0 3.2 
assign (resid  119 and  name HN   )(resid  118 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  120 and  name HN   )(resid  120 and  name HA   ) 1.8 0.0 1.7
assign (resid  120 and  name HN   )(resid  119 and  name HA   ) 1.8 0.0 1.2
assign (resid  120 and  name HN   )(resid  101 and  name HA   ) 1.8 0.0 1.7
assign (resid  120 and  name HN   )(resid  119 and  name HB1  ) 1.8 0.0 4.2
assign (resid  120 and  name HN   )(resid  119 and  name HB2  ) 1.8 0.0 4.2
assign (resid  121 and  name HN   )(resid  121 and  name HA   ) 1.8 0.0 2.2
assign (resid  121 and  name HN   )(resid  120 and  name HA   ) 1.8 0.0 1.2
assign (resid  121 and  name HN   )(resid   41 and  name HA   ) 1.8 0.0 1.7
assign (resid  121 and  name HN   )(resid  120 and  name HB1  ) 1.8 0.0 3.2
assign (resid  121 and  name HN   )(resid  120 and  name HB2  ) 1.8 0.0 3.2
assign (resid  122 and  name HN   )(resid  121 and  name HA   ) 1.8 0.0 1.2
assign (resid  122 and  name HN   )(resid  122 and  name HA   ) 1.8 0.0 1.7
assign (resid  122 and  name HN   )(resid   99 and  name HA   ) 1.8 0.0 1.7
assign (resid  122 and  name HN   )(resid   98 and  name HB*  ) 1.8 0.0 4.2
assign (resid  122 and  name HN   )(resid  121 and  name HD*  ) 1.8 0.0 4.6 
assign (resid  122 and  name HN   )(resid   99 and  name HB1  ) 1.8 0.0 4.2
assign (resid  122 and  name HN   )(resid   99 and  name HB2  ) 1.8 0.0 4.2
assign (resid  123 and  name HN   )(resid  122 and  name HA   ) 1.8 0.0 1.2
assign (resid  123 and  name HN   )(resid  123 and  name HA   ) 1.8 0.0 1.7
assign (resid  123 and  name HN   )(resid   43 and  name HA   ) 1.8 0.0 2.2
assign (resid  123 and  name HN   )(resid  122 and  name HG1* ) 1.8 0.0 4.2
assign (resid  123 and  name HN   )(resid  122 and  name HG2* ) 1.8 0.0 4.2
assign (resid  123 and  name HN   )(resid  122 and  name HB*  ) 1.8 0.0 4.2
assign (resid  123 and  name HN   )(resid   97 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  123 and  name HN   )(resid   41 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  123 and  name HN   )(resid   41 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  124 and  name HN   )(resid  124 and  name HA   ) 1.8 0.0 2.2
assign (resid  124 and  name HN   )(resid  123 and  name HA   ) 1.8 0.0 1.7
assign (resid  124 and  name HN   )(resid  123 and  name HB1  ) 1.8 0.0 4.2
assign (resid  124 and  name HN   )(resid  123 and  name HB2  ) 1.8 0.0 4.2
assign (resid  125 and  name HN   )(resid  125 and  name HA   ) 1.8 0.0 1.7
assign (resid  125 and  name HN   )(resid  123 and  name HB1  ) 1.8 0.0 3.7
assign (resid  125 and  name HN   )(resid  123 and  name HB2  ) 1.8 0.0 3.7
assign (resid  125 and  name HN   )(resid  124 and  name HB1  ) 1.8 0.0 3.7
assign (resid  125 and  name HN   )(resid  124 and  name HB2  ) 1.8 0.0 3.7
assign (resid  126 and  name HN   )(resid  125 and  name HA   ) 1.8 0.0 1.2
assign (resid  126 and  name HN   )(resid  126 and  name HA   ) 1.8 0.0 1.7
assign (resid  126 and  name HN   )(resid  125 and  name HB*  ) 1.8 0.0 4.2
assign (resid  128 and  name HN   )(resid  127 and  name HA   ) 1.8 0.0 1.7
assign (resid  128 and  name HN   )(resid  128 and  name HA   ) 1.8 0.0 1.7
assign (resid  129 and  name HN   )(resid  128 and  name HA   ) 1.8 0.0 1.2
assign (resid  129 and  name HN   )(resid  128 and  name HB   ) 1.8 0.0 2.2
assign (resid  129 and  name HN   )(resid  128 and  name HG11 ) 1.8 0.0 2.7
assign (resid  129 and  name HN   )(resid  128 and  name HG12 ) 1.8 0.0 2.7
assign (resid  129 and  name HN   )(resid  128 and  name HD*  ) 1.8 0.0 4.2
assign (resid  130 and  name HN   )(resid  130 and  name HA   ) 1.8 0.0 1.7
assign (resid  130 and  name HN   )(resid  129 and  name HB1  ) 1.8 0.0 2.7
assign (resid  130 and  name HN   )(resid  129 and  name HB2  ) 1.8 0.0 2.7
assign (resid  132 and  name HN   )(resid  131 and  name HA   ) 1.8 0.0 1.7
assign (resid  132 and  name HN   )(resid  130 and  name HA   ) 1.8 0.0 2.2
assign (resid  132 and  name HN   )(resid  132 and  name HA   ) 1.8 0.0 1.2
assign (resid  132 and  name HN   )(resid  131 and  name HD1  ) 1.8 0.0 2.7
assign (resid  132 and  name HN   )(resid  131 and  name HD2  ) 1.8 0.0 2.7
assign (resid  132 and  name HN   )(resid  131 and  name HB1  ) 1.8 0.0 4.2
assign (resid  132 and  name HN   )(resid  131 and  name HB2  ) 1.8 0.0 4.2
assign (resid  133 and  name HN   )(resid  131 and  name HA   ) 1.8 0.0 3.2
assign (resid  133 and  name HN   )(resid  133 and  name HA   ) 1.8 0.0 1.7
assign (resid  133 and  name HN   )(resid  132 and  name HA   ) 1.8 0.0 1.7
assign (resid  133 and  name HN   )(resid  131 and  name HD1  ) 1.8 0.0 4.2
assign (resid  133 and  name HN   )(resid  131 and  name HD2  ) 1.8 0.0 4.2
assign (resid  134 and  name HN   )(resid  131 and  name HA   ) 1.8 0.0 3.7
assign (resid  134 and  name HN   )(resid  133 and  name HA   ) 1.8 0.0 3.2
assign (resid  134 and  name HN   )(resid  134 and  name HA   ) 1.8 0.0 2.2
assign (resid  134 and  name HN   )(resid  133 and  name HB1  ) 1.8 0.0 4.2
assign (resid  134 and  name HN   )(resid  133 and  name HB2  ) 1.8 0.0 4.2
assign (resid  135 and  name HN   )(resid  135 and  name HA   ) 1.8 0.0 1.7
assign (resid  135 and  name HN   )(resid  134 and  name HA   ) 1.8 0.0 1.2
assign (resid  135 and  name HN   )(resid  134 and  name HB   ) 1.8 0.0 3.2
assign (resid  135 and  name HN   )(resid  134 and  name HG2* ) 1.8 0.0 3.2 
assign (resid  135 and  name HN   )(resid  134 and  name HD*  ) 1.8 0.0 4.2
assign (resid  136 and  name HN   )(resid  136 and  name HA1  ) 1.8 0.0 2.7
assign (resid  136 and  name HN   )(resid  136 and  name HA1  ) 1.8 0.0 2.7
assign (resid  136 and  name HN   )(resid  134 and  name HG2* ) 1.8 0.0 2.7 
assign (resid  137 and  name HN   )(resid  136 and  name HA1  ) 1.8 0.0 2.2 
assign (resid  137 and  name HN   )(resid  136 and  name HA2  ) 1.8 0.0 2.2 
assign (resid  137 and  name HN   )(resid  137 and  name HA1  ) 1.8 0.0 2.7
assign (resid  137 and  name HN   )(resid  137 and  name HA2  ) 1.8 0.0 2.7
assign (resid  137 and  name HN   )(resid  134 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  138 and  name HN   )(resid  138 and  name HA   ) 1.8 0.0 1.7
assign (resid  138 and  name HN   )(resid  137 and  name HA1  ) 1.8 0.0 2.2 
assign (resid  138 and  name HN   )(resid  137 and  name HA2  ) 1.8 0.0 2.2 
assign (resid  139 and  name HN   )(resid  138 and  name HA   ) 1.8 0.0 1.2
assign (resid  139 and  name HN   )(resid  139 and  name HA   ) 1.8 0.0 1.7
assign (resid  139 and  name HN   )(resid  138 and  name HB1  ) 1.8 0.0 2.7
assign (resid  139 and  name HN   )(resid  138 and  name HB2  ) 1.8 0.0 2.7
assign (resid  139 and  name HN   )(resid  138 and  name HG*  ) 1.8 0.0 4.2
assign (resid  140 and  name HN   )(resid  140 and  name HA   ) 1.8 0.0 1.7
assign (resid  140 and  name HN   )(resid  139 and  name HA   ) 1.8 0.0 1.7
assign (resid  141 and  name HN   )(resid  140 and  name HA   ) 1.8 0.0 1.2
assign (resid  141 and  name HN   )(resid  141 and  name HA   ) 1.8 0.0 1.7
assign (resid  141 and  name HN   )(resid  140 and  name HB1  ) 1.8 0.0 4.2
assign (resid  141 and  name HN   )(resid  140 and  name HB2  ) 1.8 0.0 4.2
assign (resid  141 and  name HN   )(resid  140 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  141 and  name HN   )(resid  140 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  141 and  name HN   )(resid  144 and  name HB1  ) 1.8 0.0 2.7
assign (resid  141 and  name HN   )(resid  144 and  name HB2  ) 1.8 0.0 2.7
assign (resid  143 and  name HN   )(resid  143 and  name HA   ) 1.8 0.0 1.2
assign (resid  143 and  name HN   )(resid  141 and  name HG2* ) 1.8 0.0 2.7
assign (resid  143 and  name HN   )(resid  142 and  name HD1  ) 1.8 0.0 2.7
assign (resid  143 and  name HN   )(resid  142 and  name HD2  ) 1.8 0.0 2.7
assign (resid  143 and  name HN   )(resid  142 and  name HA   ) 1.8 0.0 1.7
assign (resid  144 and  name HN   )(resid  144 and  name HA   ) 1.8 0.0 1.7
assign (resid  144 and  name HN   )(resid  143 and  name HA   ) 1.8 0.0 1.7
assign (resid  144 and  name HN   )(resid  143 and  name HB*  ) 1.8 0.0 2.7
assign (resid  144 and  name HN   )(resid  143 and  name HG*  ) 1.8 0.0 4.2
assign (resid  145 and  name HN   )(resid  144 and  name HA   ) 1.8 0.0 3.2
assign (resid  145 and  name HN   )(resid  142 and  name HA   ) 1.8 0.0 2.7
assign (resid  145 and  name HN   )(resid  145 and  name HA   ) 1.8 0.0 1.2
assign (resid  145 and  name HN   )(resid  144 and  name HB1  ) 1.8 0.0 2.7
assign (resid  145 and  name HN   )(resid  144 and  name HB2  ) 1.8 0.0 2.7
assign (resid  146 and  name HN   )(resid  146 and  name HA   ) 1.8 0.0 1.2
assign (resid  147 and  name HN   )(resid  146 and  name HA   ) 1.8 0.0 1.7
assign (resid  147 and  name HN   )(resid  147 and  name HA   ) 1.8 0.0 1.2
assign (resid  147 and  name HN   )(resid  144 and  name HA   ) 1.8 0.0 1.7
assign (resid  147 and  name HN   )(resid  146 and  name HB1  ) 1.8 0.0 4.2
assign (resid  147 and  name HN   )(resid  146 and  name HB2  ) 1.8 0.0 4.2
assign (resid  147 and  name HN   )(resid  146 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  147 and  name HN   )(resid  146 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  148 and  name HN   )(resid  148 and  name HA   ) 1.8 0.0 1.2 
assign (resid  149 and  name HN   )(resid  149 and  name HA   ) 1.8 0.0 1.2 
assign (resid  150 and  name HN   )(resid  150 and  name HA   ) 1.8 0.0 1.2
assign (resid  150 and  name HN   )(resid  149 and  name HA   ) 1.8 0.0 3.2
assign (resid  151 and  name HN   )(resid  151 and  name HA   ) 1.8 0.0 1.2
assign (resid  151 and  name HN   )(resid  150 and  name HA   ) 1.8 0.0 1.7
assign (resid  151 and  name HN   )(resid  148 and  name HA   ) 1.8 0.0 2.2
assign (resid  152 and  name HN   )(resid  152 and  name HA1  ) 1.8 0.0 2.2
assign (resid  152 and  name HN   )(resid  152 and  name HA2  ) 1.8 0.0 2.2
assign (resid  152 and  name HN   )(resid  151 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  153 and  name HN   )(resid  153 and  name HA   ) 1.8 0.0 1.2
assign (resid  153 and  name HN   )(resid  152 and  name HA1  ) 1.8 0.0 4.2
assign (resid  153 and  name HN   )(resid  152 and  name HA2  ) 1.8 0.0 4.2
assign (resid  154 and  name HN   )(resid  154 and  name HA   ) 1.8 0.0 1.7
assign (resid  154 and  name HN   )(resid  153 and  name HA   ) 1.8 0.0 1.2
assign (resid  154 and  name HN   )(resid  153 and  name HB1  ) 1.8 0.0 2.7
assign (resid  154 and  name HN   )(resid  153 and  name HB2  ) 1.8 0.0 2.7
assign (resid  154 and  name HN   )(resid  153 and  name HG1  ) 1.8 0.0 4.2
assign (resid  154 and  name HN   )(resid  153 and  name HG2  ) 1.8 0.0 4.2
assign (resid  155 and  name HN   )(resid  154 and  name HA   ) 1.8 0.0 1.2
assign (resid  155 and  name HN   )(resid  155 and  name HA   ) 1.8 0.0 2.2
assign (resid  155 and  name HN   )(resid  154 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  156 and  name HN   )(resid  155 and  name HA   ) 1.8 0.0 1.2
assign (resid  156 and  name HN   )(resid  154 and  name HA   ) 1.8 0.0 1.7
assign (resid  156 and  name HN   )(resid  155 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  159 and  name HN   )(resid  158 and  name HA   ) 1.8 0.0 3.2
assign (resid  159 and  name HN   )(resid  159 and  name HA   ) 1.8 0.0 1.2
assign (resid  159 and  name HN   )(resid  157 and  name HA1  ) 1.8 0.0 3.2
assign (resid  159 and  name HN   )(resid  157 and  name HA2  ) 1.8 0.0 3.2
assign (resid  159 and  name HN   )(resid  158 and  name HB1  ) 1.8 0.0 4.2
assign (resid  159 and  name HN   )(resid  158 and  name HB2  ) 1.8 0.0 4.2
assign (resid  160 and  name HN   )(resid  159 and  name HA   ) 1.8 0.0 3.2
assign (resid  160 and  name HN   )(resid  160 and  name HA   ) 1.8 0.0 1.2
assign (resid  161 and  name HN   )(resid  161 and  name HA   ) 1.8 0.0 1.2
assign (resid  161 and  name HN   )(resid  160 and  name HA   ) 1.8 0.0 3.2
assign (resid  161 and  name HN   )(resid  158 and  name HA   ) 1.8 0.0 3.2
assign (resid  161 and  name HN   )(resid  160 and  name HB*  ) 1.8 0.0 3.2
assign (resid  162 and  name HN   )(resid  162 and  name HA   ) 1.8 0.0 1.2
assign (resid  162 and  name HN   )(resid  161 and  name HA   ) 1.8 0.0 3.2
assign (resid  162 and  name HN   )(resid  161 and  name HB1  ) 1.8 0.0 4.2
assign (resid  162 and  name HN   )(resid  161 and  name HB2  ) 1.8 0.0 4.2
assign (resid  163 and  name HN   )(resid  160 and  name HA   ) 1.8 0.0 3.2
assign (resid  163 and  name HN   )(resid  160 and  name HB*  ) 1.8 0.0 4.2
assign (resid  163 and  name HN   )(resid  162 and  name HA   ) 1.8 0.0 3.2
assign (resid  163 and  name HN   )(resid  163 and  name HA   ) 1.8 0.0 1.2
assign (resid  163 and  name HN   )(resid  162 and  name HB*  ) 1.8 0.0 2.7
assign (resid  164 and  name HN   )(resid  160 and  name HA   ) 1.8 0.0 3.2
assign (resid  164 and  name HN   )(resid  163 and  name HA   ) 1.8 0.0 3.2
assign (resid  164 and  name HN   )(resid  164 and  name HA   ) 1.8 0.0 1.2
assign (resid  164 and  name HN   )(resid  163 and  name HG1* ) 1.8 0.0 4.2 
assign (resid  164 and  name HN   )(resid  163 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  165 and  name HN   )(resid  164 and  name HA   ) 1.8 0.0 1.7
assign (resid  165 and  name HN   )(resid  165 and  name HA   ) 1.8 0.0 1.2
assign (resid  166 and  name HN   )(resid  165 and  name HA   ) 1.8 0.0 3.2
assign (resid  166 and  name HN   )(resid  166 and  name HA   ) 1.8 0.0 1.2
assign (resid  166 and  name HN   )(resid  163 and  name HA   ) 1.8 0.0 3.2
assign (resid  167 and  name HN   )(resid  167 and  name HA   ) 1.8 0.0 1.2
assign (resid  167 and  name HN   )(resid  166 and  name HA   ) 1.8 0.0 1.7
assign (resid  167 and  name HN   )(resid  164 and  name HA   ) 1.8 0.0 3.2
assign (resid  167 and  name HN   )(resid  163 and  name HA   ) 1.8 0.0 3.2
assign (resid  168 and  name HN   )(resid  168 and  name HA   ) 1.8 0.0 1.2
assign (resid  168 and  name HN   )(resid  164 and  name HA   ) 1.8 0.0 1.7
assign (resid  168 and  name HN   )(resid  167 and  name HB1  ) 1.8 0.0 2.7
assign (resid  168 and  name HN   )(resid  167 and  name HB2  ) 1.8 0.0 2.7
assign (resid  169 and  name HN   )(resid  168 and  name HA   ) 1.8 0.0 1.7
assign (resid  169 and  name HN   )(resid  169 and  name HA   ) 1.8 0.0 1.7
assign (resid  169 and  name HN   )(resid  168 and  name HG*  ) 1.8 0.0 2.7
assign (resid  170 and  name HN   )(resid  170 and  name HA   ) 1.8 0.0 1.7
assign (resid  170 and  name HN   )(resid  169 and  name HA   ) 1.8 0.0 3.2
!amide side chain to other things.
assign (resid   13 and  name HD21 )(resid   19 and  name HG1* ) 1.8 0.0 3.7
assign (resid   13 and  name HD21 )(resid   17 and  name HB1  ) 1.8 0.0 3.7
assign (resid   13 and  name HD21 )(resid   17 and  name HB2  ) 1.8 0.0 3.7
assign (resid   13 and  name HD22 )(resid   19 and  name HG1* ) 1.8 0.0 3.7
assign (resid   13 and  name HD22 )(resid   17 and  name HB1  ) 1.8 0.0 3.7
assign (resid   13 and  name HD22 )(resid   17 and  name HB2  ) 1.8 0.0 3.7
assign (resid   21 and  name HE21 )(resid   18 and  name HG1* ) 1.8 0.0 3.7
assign (resid   21 and  name HE22 )(resid   18 and  name HG1* ) 1.8 0.0 3.7
!Trytophan HE1
assign (resid   31 and  name HE1  )(resid   29 and  name HD2* ) 1.8 0.0 2.7
assign (resid   31 and  name HD1  )(resid   29 and  name HD2* ) 1.8 0.0 2.7 
assign (resid   31 and  name HD1  )(resid   31 and  name HB1  ) 1.8 0.0 2.7 
assign (resid   31 and  name HD1  )(resid   31 and  name HB2  ) 1.8 0.0 2.7 
assign (resid   31 and  name HE1  )(resid   34 and  name HG1* ) 1.8 0.0 4.2
assign (resid   31 and  name HE1  )(resid   34 and  name HG2* ) 1.8 0.0 4.2
assign (resid   99 and  name HE1  )(resid   94 and  name HG11 ) 1.8 0.0 4.2
assign (resid   99 and  name HE1  )(resid   94 and  name HG12 ) 1.8 0.0 4.2
assign (resid   99 and  name HE1  )(resid   94 and  name HG2* ) 1.8 0.0 4.2
assign (resid   99 and  name HE1  )(resid   94 and  name HD*  ) 1.8 0.0 3.2
assign (resid   99 and  name HD1  )(resid   99 and  name HB1  ) 1.8 0.0 2.7 
assign (resid   99 and  name HD1  )(resid   99 and  name HB2  ) 1.8 0.0 2.7 
assign (resid   99 and  name HD1  )(resid   94 and  name HB   ) 1.8 0.0 1.7 
assign (resid   99 and  name HD1  )(resid   94 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   99 and  name HD1  )(resid   94 and  name HD*  ) 1.8 0.0 4.2 
!side-chain to side-chain
assign (resid    4 and  name HG1* )(resid    5 and  name HA   ) 1.8 0.0 4.2 
assign (resid   10 and  name HA   )(resid   21 and  name HA   ) 1.8 0.0 1.7
assign (resid   10 and  name HA   )(resid   21 and  name HG1* ) 1.8 0.0 4.2
assign (resid   10 and  name HA   )(resid   21 and  name HG2* ) 1.8 0.0 4.2
assign (resid   10 and  name HA   )(resid   21 and  name HB1* ) 1.8 0.0 4.2
assign (resid   10 and  name HA   )(resid   21 and  name HB2* ) 1.8 0.0 4.2
assign (resid   10 and  name HA   )(resid   18 and  name HG1* ) 1.8 0.0 4.2 
assign (resid   10 and  name HA   )(resid   18 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   11 and  name HA   )(resid   19 and  name HG1* ) 2.5 0.0 4.2 
assign (resid   11 and  name HA   )(resid   19 and  name HG2* ) 2.5 0.0 4.2 
assign (resid   11 and  name HD*  )(resid   22 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   12 and  name HB   )(resid   18 and  name HA   ) 1.8 0.0 4.2
assign (resid   12 and  name HA   )(resid   18 and  name HA   ) 1.8 0.0 1.7
assign (resid   12 and  name HA   )(resid   18 and  name HG1* ) 1.8 0.0 4.2 
assign (resid   12 and  name HA   )(resid   18 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   13 and  name HA   )(resid   19 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   13 and  name HA   )(resid   19 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   16 and  name HA   )(resid   12 and  name HB   ) 1.8 0.0 3.2
assign (resid   16 and  name HA   )(resid   12 and  name HG1* ) 1.8 0.0 3.2 
assign (resid   16 and  name HA   )(resid   12 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   18 and  name HA   )(resid   12 and  name HG1* ) 1.8 0.0 4.2 
assign (resid   18 and  name HG1* )(resid   12 and  name HA   ) 1.8 0.0 4.2 
assign (resid   18 and  name HG1* )(resid   12 and  name HG1* ) 1.8 0.0 5.2 
assign (resid   18 and  name HG2* )(resid   12 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   18 and  name HG2* )(resid   12 and  name HG1* ) 1.8 0.0 5.2 
assign (resid   18 and  name HG1* )(resid   12 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   22 and  name HD*  )(resid   28 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   22 and  name HD*  )(resid   29 and  name HD2* ) 1.8 0.0 5.2 
assign (resid   22 and  name HD*  )(resid   29 and  name HD1* ) 1.8 0.0 5.2 
assign (resid   22 and  name HG2* )(resid   29 and  name HD2* ) 1.8 0.0 5.2 
assign (resid   22 and  name HG2* )(resid   29 and  name HD1* ) 1.8 0.0 5.2 
assign (resid   25 and  name HG2* )(resid   24 and  name HB1  ) 1.8 0.0 5.2
assign (resid   25 and  name HG2* )(resid   24 and  name HB2  ) 1.8 0.0 5.2
assign (resid   25 and  name HG2* )(resid   24 and  name HG1  ) 1.8 0.0 5.2
assign (resid   25 and  name HG2* )(resid   24 and  name HG2  ) 1.8 0.0 5.2
assign (resid   26 and  name HA   )(resid   27 and  name HD1* ) 1.8 0.0 4.2
assign (resid   26 and  name HA   )(resid   27 and  name HD2* ) 1.8 0.0 4.2
assign (resid   26 and  name HA   )(resid   27 and  name HG*  ) 1.8 0.0 4.2
assign (resid   27 and  name HA   )(resid   28 and  name HB*  ) 1.8 0.0 4.2 
assign (resid   29 and  name HA   )(resid   22 and  name HD*  ) 1.8 0.0 3.7  
assign (resid   29 and  name HD2* )(resid   34 and  name HG1* ) 1.8 0.0 5.2 
assign (resid   29 and  name HD2* )(resid   31 and  name HZ2  ) 1.8 0.0 3.2
assign (resid   29 and  name HD1* )(resid   31 and  name HZ2  ) 1.8 0.0 4.2 
assign (resid   29 and  name HD1* )(resid   34 and  name HG1* ) 1.8 0.0 5.2 
assign (resid   29 and  name HD1* )(resid   34 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   31 and  name HA   )(resid   29 and  name HD2* ) 1.8 0.0 4.2 
assign (resid   31 and  name HA   )(resid   34 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   31 and  name HA   )(resid   31 and  name HE3  ) 1.8 0.0 3.2 
assign (resid   31 and  name HH2  )(resid   29 and  name HD2* ) 1.8 0.0 4.2 
assign (resid   31 and  name HH2  )(resid   24 and  name HD2* ) 1.8 0.0 4.7
assign (resid   31 and  name HH2  )(resid   71 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   31 and  name HZ2  )(resid   71 and  name HB*  ) 1.8 0.0 4.2 
assign (resid   31 and  name HZ3  )(resid   36 and  name HG1* ) 1.8 0.0 4.2 
assign (resid   31 and  name HH2  )(resid   36 and  name HG1* ) 1.8 0.0 4.7 
assign (resid   31 and  name HE3  )(resid   36 and  name HG1* ) 1.8 0.0 5.2 
assign (resid   34 and  name HG2* )(resid   31 and  name HZ3  ) 1.8 0.0 4.2
assign (resid   34 and  name HG2* )(resid   31 and  name HE3  ) 1.8 0.0 4.2 
assign (resid   34 and  name HG2* )(resid   31 and  name HB1  ) 1.8 0.0 4.2 
assign (resid   34 and  name HG2* )(resid   31 and  name HB2  ) 1.8 0.0 4.2 
assign (resid   36 and  name HA   )(resid   71 and  name HA   ) 1.8 0.0 1.2 
assign (resid   36 and  name HA   )(resid   71 and  name HB*  ) 1.8 0.0 4.2 
assign (resid   36 and  name HG1* )(resid  114 and  name HB1  ) 1.8 0.0 5.2 
assign (resid   36 and  name HG1* )(resid  114 and  name HB2  ) 1.8 0.0 5.2 
assign (resid   36 and  name HG1* )(resid   71 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   36 and  name HG1* )(resid   71 and  name HA   ) 1.8 0.0 4.2 
assign (resid   36 and  name HG2* )(resid  114 and  name HB1  ) 1.8 0.0 5.2 
assign (resid   36 and  name HG2* )(resid  114 and  name HB2  ) 1.8 0.0 5.2 
assign (resid   36 and  name HG2* )(resid   71 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   36 and  name HG2* )(resid   71 and  name HA   ) 1.8 0.0 4.2 
assign (resid   37 and  name HG2* )(resid  119 and  name HD*  ) 1.8 0.0 6.6 
assign (resid   37 and  name HG2* )(resid  119 and  name HE*  ) 1.8 0.0 5.6 
assign (resid   37 and  name HG2* )(resid   78 and  name HD*  ) 1.8 0.0 5.2 
assign (resid   37 and  name HG2* )(resid   78 and  name HE*  ) 1.8 0.0 6.2 
assign (resid   38 and  name HA   )(resid   69 and  name HA1  ) 1.8 0.0 1.7
assign (resid   38 and  name HA   )(resid   69 and  name HA2  ) 1.8 0.0 1.7
assign (resid   38 and  name HA   )(resid   66 and  name HG1* ) 1.8 0.0 4.2 
assign (resid   38 and  name HA   )(resid   66 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   38 and  name HA   )(resid   39 and  name HB*  ) 1.8 0.0 4.2
assign (resid   39 and  name HB*  )(resid   68 and  name HB   ) 1.8 0.0 2.7 
assign (resid   39 and  name HB*  )(resid   68 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   39 and  name HB*  )(resid  119 and  name HD*  ) 1.8 0.0 5.2 
assign (resid   39 and  name HB*  )(resid  119 and  name HE*  ) 1.8 0.0 5.2 
assign (resid   48 and  name HD1* )(resid  167 and  name HE*  ) 1.8 0.0 5.7 
assign (resid   48 and  name HD1* )(resid  167 and  name HD*  ) 1.8 0.0 6.2 
assign (resid   48 and  name HD2* )(resid  167 and  name HE*  ) 1.8 0.0 6.2 
assign (resid   50 and  name HD*  )(resid   48 and  name HD1* ) 1.8 0.0 5.2 
assign (resid   54 and  name HA   )(resid   55 and  name HD*  ) 1.8 0.0 4.2
assign (resid   66 and  name HG2* )(resid   38 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   66 and  name HG2* )(resid   69 and  name HA1  ) 1.8 0.0 4.2 
assign (resid   66 and  name HG2* )(resid   69 and  name HA2  ) 1.8 0.0 4.2 
assign (resid   66 and  name HG1* )(resid   40 and  name HZ   ) 1.8 0.0 4.2 
assign (resid   68 and  name HG1* )(resid   85 and  name HA   ) 1.8 0.0 4.2 
assign (resid   68 and  name HG1* )(resid   85 and  name HB1  ) 1.8 0.0 5.2 
assign (resid   68 and  name HG1* )(resid   85 and  name HB2  ) 1.8 0.0 5.2 
assign (resid   69 and  name HA2  )(resid   66 and  name HG1* ) 1.8 0.0 5.2
assign (resid   72 and  name HA   )(resid   81 and  name HB*  ) 1.8 0.0 4.2 
assign (resid   72 and  name HG2* )(resid   78 and  name HE*  ) 1.8 0.0 6.2
assign (resid   78 and  name HA   )(resid   72 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   78 and  name HA   )(resid   37 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   78 and  name HD*  )(resid   72 and  name HG2* ) 1.8 0.0 5.2
assign (resid   78 and  name HE*  )(resid   35 and  name HA   ) 1.8 0.0 5.6 
assign (resid   81 and  name HB*  )(resid   37 and  name HG1* ) 1.8 0.0 5.2 
assign (resid   81 and  name HB*  )(resid   37 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   81 and  name HB*  )(resid   37 and  name HG1* ) 1.8 0.0 5.2
assign (resid   81 and  name HB*  )(resid   37 and  name HB   ) 1.8 0.0 4.2 
assign (resid   81 and  name HB*  )(resid   78 and  name HA   ) 1.8 0.0 4.2 
assign (resid   81 and  name HB*  )(resid   78 and  name HD*  ) 1.8 0.0 6.2 
assign (resid   83 and  name HA   )(resid   86 and  name HB*  ) 1.8 0.0 4.2
assign (resid   83 and  name HA   )(resid   94 and  name HD*  ) 1.8 0.0 4.2
assign (resid   83 and  name HA   )(resid   94 and  name HG2* ) 1.8 0.0 4.7
assign (resid   86 and  name HA   )(resid   68 and  name HG1* ) 1.8 0.0 4.2 
assign (resid   86 and  name HA   )(resid   68 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   86 and  name HA   )(resid   92 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   92 and  name HB   )(resid   97 and  name HD1* ) 1.8 0.0 4.2 
assign (resid   92 and  name HG1* )(resid   94 and  name HA   ) 2.5 0.0 4.2 
assign (resid   92 and  name HG1* )(resid   94 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   92 and  name HG1* )(resid   86 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   92 and  name HG2* )(resid   94 and  name HA   ) 2.5 0.0 4.2 
assign (resid   92 and  name HG2* )(resid   94 and  name HG2* ) 1.8 0.0 5.2 
assign (resid   92 and  name HG2* )(resid   86 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   94 and  name HD*  )(resid   86 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   94 and  name HD*  )(resid   99 and  name HD1  ) 1.8 0.0 4.2 
assign (resid   94 and  name HD*  )(resid   99 and  name HZ2  ) 1.8 0.0 4.2 
assign (resid   94 and  name HD*  )(resid   99 and  name HE3  ) 1.8 0.0 4.2 
assign (resid   94 and  name HG2* )(resid   86 and  name HB*  ) 1.8 0.0 5.2 
assign (resid   96 and  name HB*  )(resid   96 and  name HA   ) 1.8 0.0 4.2
assign (resid   96 and  name HB*  )(resid   93 and  name HB1  ) 1.8 0.0 5.2
assign (resid   96 and  name HB*  )(resid   93 and  name HB2  ) 1.8 0.0 5.2
assign (resid   96 and  name HB*  )(resid   93 and  name HG1  ) 1.8 0.0 5.2
assign (resid   96 and  name HB*  )(resid   93 and  name HG2  ) 1.8 0.0 5.2
assign (resid   96 and  name HB*  )(resid   97 and  name HD1* ) 1.8 0.0 5.2 
assign (resid   96 and  name HB*  )(resid   97 and  name HD2* ) 1.8 0.0 5.2 
assign (resid   99 and  name HA   )(resid  121 and  name HA   ) 1.8 0.0 1.2 
assign (resid   99 and  name HA   )(resid  121 and  name HD*  ) 1.8 0.0 4.2 
assign (resid   99 and  name HE3  )(resid  119 and  name HD*  ) 1.8 0.0 4.2
assign (resid   99 and  name HE3  )(resid  119 and  name HE*  ) 1.8 0.0 4.2
assign (resid   99 and  name HZ3  )(resid  119 and  name HE*  ) 1.8 0.0 4.2
assign (resid   99 and  name HH2  )(resid  119 and  name HE*  ) 1.8 0.0 5.6
assign (resid   99 and  name HH2  )(resid  119 and  name HD*  ) 1.8 0.0 5.6 
assign (resid   99 and  name HZ3  )(resid   94 and  name HD*  ) 3.0 0.0 3.0
assign (resid  101 and  name HA   )(resid  119 and  name HA   ) 1.8 0.0 1.2 
assign (resid  101 and  name HA   )(resid  119 and  name HD*  ) 1.8 0.0 4.2 
assign (resid  104 and  name HA   )(resid  117 and  name HA   ) 1.8 0.0 1.2
assign (resid  105 and  name HA   )(resid  110 and  name HG2* ) 1.8 0.0 3.2
assign (resid  112 and  name HD1* )(resid  110 and  name HB   ) 1.8 0.0 4.2 
assign (resid  112 and  name HD1* )(resid  110 and  name HG2* ) 1.8 0.0 4.2
assign (resid  112 and  name HD1* )(resid  105 and  name HB1  ) 1.8 0.0 5.2 
assign (resid  112 and  name HD1* )(resid  105 and  name HB1  ) 1.8 0.0 5.2
assign (resid  116 and  name HA   )(resid   36 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  116 and  name HA   )(resid   78 and  name HE*  ) 1.8 0.0 4.2
assign (resid  116 and  name HA   )(resid   78 and  name HD*  ) 1.8 0.0 5.2
assign (resid  116 and  name HE*  )(resid  114 and  name HB1  ) 1.8 0.0 4.2 
assign (resid  116 and  name HE*  )(resid  114 and  name HB2  ) 1.8 0.0 4.2 
assign (resid  116 and  name HE*  )(resid  112 and  name HA   ) 1.8 0.0 4.2 
assign (resid  116 and  name HE*  )(resid  112 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  116 and  name HE*  )(resid  112 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  116 and  name HE*  )(resid   36 and  name HG1* ) 1.8 0.0 4.2 
assign (resid  116 and  name HE*  )(resid   36 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  117 and  name HA   )(resid  104 and  name HB1  ) 1.8 0.0 5.2
assign (resid  117 and  name HA   )(resid  104 and  name HB2  ) 1.8 0.0 5.2
assign (resid  119 and  name HD*  )(resid  118 and  name HA   ) 1.8 0.0 4.1 
assign (resid  119 and  name HD*  )(resid  101 and  name HB1  ) 1.8 0.0 5.1 
assign (resid  119 and  name HD*  )(resid  101 and  name HB2  ) 1.8 0.0 5.1 
assign (resid  119 and  name HE*  )(resid  101 and  name HB1  ) 1.8 0.0 5.1 
assign (resid  119 and  name HE*  )(resid  101 and  name HB2  ) 1.8 0.0 5.1 
assign (resid  119 and  name HE*  )(resid  118 and  name HA   ) 1.8 0.0 5.6 
assign (resid  119 and  name HE*  )(resid   37 and  name HG1* ) 1.8 0.0 6.6 
assign (resid  119 and  name HE*  )(resid   37 and  name HB   ) 1.8 0.0 5.6 
assign (resid  119 and  name HE*  )(resid   79 and  name HA   ) 1.8 0.0 5.6 
assign (resid  121 and  name HD*  )(resid   99 and  name HB1  ) 1.8 0.0 5.2 
assign (resid  121 and  name HD*  )(resid   99 and  name HB2  ) 1.8 0.0 5.2 
assign (resid  123 and  name HA   )(resid   41 and  name HD1* ) 1.8 0.0 4.6 
assign (resid  123 and  name HA   )(resid   97 and  name HD1* ) 1.8 0.0 4.2
assign (resid  123 and  name HA   )(resid   97 and  name HD2* ) 1.8 0.0 4.2
assign (resid  126 and  name HA   )(resid  127 and  name HG1  ) 1.8 0.0 4.2
assign (resid  126 and  name HA   )(resid  127 and  name HD1  ) 1.8 0.0 4.2
assign (resid  126 and  name HA   )(resid  127 and  name HD2  ) 1.8 0.0 4.2  
assign (resid  126 and  name HB   )(resid  127 and  name HD1  ) 1.8 0.0 4.2
assign (resid  126 and  name HB   )(resid  127 and  name HD2  ) 1.8 0.0 4.2
assign (resid  126 and  name HG2* )(resid  127 and  name HG1  ) 1.8 0.0 5.2
assign (resid  126 and  name HG2* )(resid  127 and  name HG2  ) 1.8 0.0 5.2
assign (resid  130 and  name HA   )(resid  131 and  name HD1  ) 1.8 0.0 2.7
assign (resid  130 and  name HA   )(resid  131 and  name HD2  ) 1.8 0.0 2.7
assign (resid  134 and  name HG2* )(resid  116 and  name HE*  ) 1.8 0.0 6.2 
assign (resid  136 and  name HA1  )(resid  134 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  136 and  name HA2  )(resid  134 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  140 and  name HD1* )(resid  138 and  name HB1  ) 1.8 0.0 5.2 
assign (resid  140 and  name HD1* )(resid  138 and  name HB2  ) 1.8 0.0 4.7 
assign (resid  140 and  name HD1* )(resid  138 and  name HG2  ) 1.8 0.0 4.7
assign (resid  140 and  name HD2* )(resid  138 and  name HB1  ) 1.8 0.0 5.2 
assign (resid  140 and  name HD2* )(resid  138 and  name HB2  ) 1.8 0.0 5.2 
assign (resid  140 and  name HD2* )(resid  138 and  name HG1  ) 1.8 0.0 5.2 
assign (resid  140 and  name HD2* )(resid  138 and  name HG2  ) 1.8 0.0 5.2 
assign (resid  141 and  name HA   )(resid  142 and  name HD1  ) 1.8 0.0 4.2
assign (resid  141 and  name HA   )(resid  142 and  name HD2  ) 1.8 0.0 4.2
assign (resid  141 and  name HB   )(resid  142 and  name HD1  ) 1.8 0.0 3.2
assign (resid  141 and  name HB   )(resid  142 and  name HD2  ) 1.8 0.0 3.2
assign (resid  141 and  name HG2* )(resid  142 and  name HD1  ) 1.8 0.0 5.2
assign (resid  141 and  name HG2* )(resid  142 and  name HD2  ) 1.8 0.0 5.2
assign (resid  142 and  name HA   )(resid  145 and  name HD*  ) 1.8 0.0 4.2
assign (resid  144 and  name HB1  )(resid  140 and  name HD2* ) 1.8 0.0 3.7
assign (resid  144 and  name HB2  )(resid  140 and  name HB*  ) 1.8 0.0 3.7
assign (resid  144 and  name HB1  )(resid  147 and  name HB*  ) 1.8 0.0 4.2
assign (resid  144 and  name HB2  )(resid  147 and  name HB*  ) 1.8 0.0 4.2
assign (resid  144 and  name HA   )(resid  147 and  name HB*  ) 1.8 0.0 3.2 
assign (resid  147 and  name HB*  )(resid  144 and  name HA   ) 1.8 0.0 4.2 
assign (resid  160 and  name HA   )(resid  149 and  name HG2* ) 1.8 0.0 4.2 
assign (resid  163 and  name HA   )(resid  167 and  name HD*  ) 1.8 0.0 4.6 
assign (resid  163 and  name HA   )(resid  167 and  name HE*  ) 1.8 0.0 5.6 
assign (resid  167 and  name HD*  )(resid  163 and  name HG1* ) 1.8 0.0 6.2 
assign (resid  167 and  name HD*  )(resid  163 and  name HG2* ) 1.8 0.0 6.2 
!Long range test ONE
assign (resid   63 and  name HA   )(resid  154 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   63 and  name HA   )(resid  155 and  name HA   ) 2.5 0.0 4.2 
assign (resid   63 and  name HN   )(resid  154 and  name HB*  ) 1.8 0.0 4.2 
assign (resid  154 and  name HN   )(resid   63 and  name HA   ) 1.8 0.0 3.2 
assign (resid  155 and  name HN   )(resid   63 and  name HA   ) 1.8 0.0 2.7 
assign (resid  156 and  name HN   )(resid   63 and  name HA   ) 1.8 0.0 3.2 
assign (resid  155 and  name HA   )(resid   63 and  name HB*  ) 1.8 0.0 4.2 
assign (resid  155 and  name HA   )(resid  154 and  name HB*  ) 1.8 0.0 4.2  
assign (resid  154 and  name HA   )(resid   63 and  name HB*  ) 1.8 0.0 4.2 
assign (resid  154 and  name HA   )(resid  155 and  name HB*  ) 1.8 0.0 4.2 
assign (resid  155 and  name HB*  )(resid   64 and  name HD2* ) 1.8 0.0 5.2 
assign (resid   64 and  name HD1* )(resid  155 and  name HA   ) 1.8 0.0 4.2  
assign (resid   64 and  name HD1* )(resid  155 and  name HB*  ) 1.8 0.0 3.7 
assign (resid   64 and  name HN   )(resid  155 and  name HB*  ) 1.8 0.0 4.2  
assign (resid  153 and  name HA   )(resid  154 and  name HB*  ) 1.8 0.0 4.2
assign (resid   64 and  name HD1* )(resid  153 and  name HB1  ) 1.8 0.0 5.2  
assign (resid   64 and  name HD1* )(resid  153 and  name HB2  ) 1.8 0.0 5.2 
assign (resid   64 and  name HD1* )(resid  153 and  name HG1  ) 1.8 0.0 4.7  
assign (resid   64 and  name HD1* )(resid  153 and  name HG2  ) 1.8 0.0 4.7 
!TWO
assign (resid  149 and  name HD*  )(resid  160 and  name HB*  ) 1.8 0.0 3.7 
assign (resid  149 and  name HD*  )(resid  160 and  name HA   ) 1.8 0.0 4.2 
assign (resid  149 and  name HG2* )(resid  160 and  name HB*  ) 1.8 0.0 4.7 
assign (resid  155 and  name HB*  )(resid  149 and  name HG2* ) 1.8 0.0 3.7 
assign (resid  155 and  name HB*  )(resid  149 and  name HG11 ) 1.8 0.0 4.2
assign (resid  155 and  name HB*  )(resid  149 and  name HG12 ) 1.8 0.0 4.2
assign (resid  155 and  name HB*  )(resid  149 and  name HD*  ) 1.8 0.0 3.7 
assign (resid  160 and  name HN   )(resid  149 and  name HD*  ) 1.8 0.0 3.2 
assign (resid  149 and  name HA   )(resid  153 and  name HB1  ) 1.8 0.0 4.2
assign (resid  149 and  name HA   )(resid  153 and  name HB2  ) 1.8 0.0 4.2
!FOUR
assign (resid   10 and  name HN   )(resid   74 and  name HN   ) 1.8 0.0 3.2
assign (resid   10 and  name HN   )(resid   74 and  name HA   ) 1.8 0.0 1.7
assign (resid   10 and  name HN   )(resid   73 and  name HA   ) 1.8 0.0 3.7
assign (resid   10 and  name HN   )(resid   74 and  name HB1  ) 1.8 0.0 4.2 
assign (resid   10 and  name HN   )(resid   74 and  name HB2  ) 1.8 0.0 4.2 
assign (resid   74 and  name HN   )(resid    9 and  name HA   ) 1.8 0.0 1.2
assign (resid   74 and  name HN   )(resid    9 and  name HD*  ) 1.8 0.0 4.7
!FIVE
assign (resid  126 and  name HN   )(resid  139 and  name HZ2  ) 1.8 0.0 3.2
assign (resid  137 and  name HN   )(resid   49 and  name HZ2  ) 1.8 0.0 3.2
assign (resid  138 and  name HN   )(resid   49 and  name HZ2  ) 1.8 0.0 4.7 
assign (resid  139 and  name HH2  )(resid  127 and  name HG1  ) 1.8 0.0 4.2
assign (resid  139 and  name HZ2  )(resid  126 and  name HA   ) 1.8 0.0 2.7
assign (resid  139 and  name HZ2  )(resid  126 and  name HB   ) 2.5 0.0 3.2
assign (resid  139 and  name HZ2  )(resid  126 and  name HG2* ) 1.8 0.0 4.2
assign (resid  139 and  name HZ2  )(resid  127 and  name HG1  ) 1.8 0.0 4.2
assign (resid  139 and  name HZ2  )(resid  127 and  name HD1  ) 2.5 0.0 3.5
assign (resid  139 and  name HZ2  )(resid  127 and  name HD2  ) 2.5 0.0 3.5
assign (resid   49 and  name HH2  )(resid  134 and  name HG2* ) 1.8 0.0 4.2
assign (resid   49 and  name HH2  )(resid  134 and  name HD*  ) 1.8 0.0 4.2
assign (resid   49 and  name HZ2  )(resid  134 and  name HG2* ) 1.8 0.0 4.7 
assign (resid   49 and  name HZ2  )(resid  126 and  name HG2* ) 2.5 0.0 4.7 
assign (resid   49 and  name HE1  )(resid  137 and  name HA1  ) 1.8 0.0 4.2
assign (resid   49 and  name HE1  )(resid  137 and  name HA2  ) 1.8 0.0 4.2
assign (resid   49 and  name HE1  )(resid  126 and  name HG2* ) 1.8 0.0 4.2
assign (resid   49 and  name HE1  )(resid  127 and  name HD1  ) 1.8 0.0 4.2
assign (resid   49 and  name HE1  )(resid  127 and  name HD2  ) 1.8 0.0 4.2
assign (resid   49 and  name HE1  )(resid   50 and  name HA   ) 1.8 0.0 2.2 
assign (resid  139 and  name HE1  )(resid  126 and  name HG2* ) 1.8 0.0 4.2
assign (resid  139 and  name HE1  )(resid  127 and  name HD1  ) 1.8 0.0 4.2
assign (resid  139 and  name HE1  )(resid  127 and  name HD2  ) 1.8 0.0 4.2
assign (resid   50 and  name HG2* )(resid  140 and  name HD1* ) 1.8 0.0 5.2
assign (resid  140 and  name HN   )(resid   49 and  name HA   ) 1.8 0.0 3.2 
assign (resid   50 and  name HN   )(resid  140 and  name HD1* ) 1.8 0.0 4.2
assign (resid   50 and  name HN   )(resid   49 and  name HA   ) 1.8 0.0 1.7 
assign (resid   50 and  name HN   )(resid  139 and  name HA   ) 1.8 0.0 3.2
assign (resid   48 and  name HN   )(resid  140 and  name HN   ) 1.8 0.0 3.2 
assign (resid   50 and  name HN   )(resid  140 and  name HN   ) 1.8 0.0 3.2
assign (resid   50 and  name HD*  )(resid   40 and  name HD*  ) 2.5 0.0 5.9 
assign (resid   50 and  name HD*  )(resid   40 and  name HZ   ) 2.5 0.0 5.9 
assign (resid  139 and  name HN   )(resid  139 and  name HD1  ) 1.8 0.0 3.2
assign (resid  139 and  name HD1  )(resid  139 and  name HB1  ) 1.8 0.0 4.2
assign (resid  139 and  name HD1  )(resid  139 and  name HB2  ) 1.8 0.0 4.2
assign (resid  137 and  name HN   )(resid   51 and  name HA   ) 1.8 0.0 3.2 
assign (resid  138 and  name HN   )(resid   51 and  name HA   ) 1.8 0.0 2.7 
assign (resid   51 and  name HA   )(resid  137 and  name HA1  ) 1.8 0.0 2.2 
assign (resid   51 and  name HA   )(resid  137 and  name HA2  ) 1.8 0.0 2.2 
assign (resid  139 and  name HA   )(resid   49 and  name HA   ) 1.8 0.0 2.2 
!SIX
assign (resid   50 and  name HD*  )(resid   66 and  name HA   ) 1.8 0.0 4.2
assign (resid   50 and  name HG2* )(resid   64 and  name HA   ) 1.8 0.0 4.2 
assign (resid   50 and  name HG2* )(resid   64 and  name HD2* ) 1.8 0.0 3.2 
assign (resid   50 and  name HG2* )(resid   64 and  name HD1* ) 1.8 0.0 5.2 
assign (resid   50 and  name HG2* )(resid  140 and  name HD1* ) 1.8 0.0 5.2 
assign (resid  140 and  name HD1* )(resid  145 and  name HA   ) 1.8 0.0 4.2 
assign (resid   64 and  name HD1* )(resid  149 and  name HG2* ) 1.8 0.0 3.7 
assign (resid   64 and  name HD1* )(resid  149 and  name HD*  ) 1.8 0.0 5.2 
assign (resid   64 and  name HD2* )(resid  149 and  name HG2* ) 1.8 0.0 3.2 
!seven
assign (resid   94 and  name HD*  )(resid  121 and  name HD*  ) 1.8 0.0 6.2
assign (resid   94 and  name HG2* )(resid  121 and  name HD*  ) 1.8 0.0 6.2
assign (resid   22 and  name HG2* )(resid   34 and  name HG1* ) 1.8 0.0 5.2
assign (resid   24 and  name HA   )(resid   29 and  name HD1* ) 1.8 0.0 3.7
assign (resid   24 and  name HA   )(resid   29 and  name HD2* ) 1.8 0.0 4.2
assign (resid   48 and  name HD2* )(resid   42 and  name HA   ) 1.8 0.0 4.2
!eight
assign (resid  167 and  name HE*  )(resid   40 and  name HD*  ) 2.5 0.0 6.0 
assign (resid   40 and  name HD*  )(resid   48 and  name HD1* ) 1.8 0.0 6.6 
assign (resid   40 and  name HD*  )(resid   48 and  name HD2* ) 1.8 0.0 6.6 
!INTRAMOLECULAR NOES
assign (resid    5 and  name HN   )(resid    5 and  name HB*  ) 1.8 0.0 2.7
assign (resid    6 and  name HN   )(resid    6 and  name HB*  ) 1.8 0.0 2.7
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 1.8 0.0 2.7
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 1.8 0.0 2.7
assign (resid    7 and  name HN   )(resid    7 and  name HG1  ) 1.8 0.0 3.2
assign (resid    7 and  name HN   )(resid    7 and  name HG2  ) 1.8 0.0 3.2
assign (resid    8 and  name HN   )(resid    8 and  name HB1  ) 1.8 0.0 1.7
assign (resid    8 and  name HN   )(resid    8 and  name HB2  ) 1.8 0.0 1.7
assign (resid    8 and  name HN   )(resid    8 and  name HG*  ) 2.5 0.7 3.0
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 1.8 0.0 2.7
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 1.8 0.0 2.7
assign (resid   12 and  name HN   )(resid   12 and  name HG1* ) 1.8 0.0 3.2 
assign (resid   12 and  name HN   )(resid   12 and  name HG2* ) 1.8 0.0 3.2 
assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 1.8 0.0 3.2
assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 1.8 0.0 3.2
assign (resid   14 and  name HN   )(resid   14 and  name HB*  ) 1.8 0.0 3.2
assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 1.8 0.0 2.2
assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 1.8 0.0 2.2
assign (resid   17 and  name HN   )(resid   16 and  name HB2  ) 1.8 0.0 2.7
assign (resid   19 and  name HN   )(resid   19 and  name HB   ) 1.8 0.0 2.0
assign (resid   19 and  name HN   )(resid   19 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   19 and  name HN   )(resid   19 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   21 and  name HN   )(resid   21 and  name HG1  ) 2.5 0.7 4.0
assign (resid   21 and  name HN   )(resid   21 and  name HG2  ) 2.5 0.7 4.0
assign (resid   21 and  name HN   )(resid   21 and  name HB1  ) 1.8 0.0 2.7
assign (resid   21 and  name HN   )(resid   21 and  name HB2  ) 1.8 0.0 2.7
assign (resid   22 and  name HN   )(resid   22 and  name HG2* ) 1.8 0.0 3.2 
assign (resid   22 and  name HN   )(resid   22 and  name HD*  ) 1.8 0.0 2.7 
assign (resid   23 and  name HN   )(resid   23 and  name HB1  ) 2.0 0.0 2.5
assign (resid   23 and  name HN   )(resid   23 and  name HB2  ) 2.0 0.0 2.5
assign (resid   25 and  name HN   )(resid   25 and  name HB   ) 1.8 0.0 2.2
assign (resid   25 and  name HN   )(resid   25 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   26 and  name HN   )(resid   26 and  name HB1  ) 1.8 0.0 2.7
assign (resid   26 and  name HN   )(resid   26 and  name HB2  ) 1.8 0.0 2.7
assign (resid   28 and  name HN   )(resid   28 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   29 and  name HN   )(resid   29 and  name HB1  ) 1.8 0.0 2.2
assign (resid   29 and  name HN   )(resid   29 and  name HB2  ) 1.8 0.0 2.2
assign (resid   29 and  name HN   )(resid   29 and  name HG   ) 1.8 0.0 1.2
assign (resid   31 and  name HN   )(resid   31 and  name HB1  ) 1.8 0.0 1.7
assign (resid   31 and  name HN   )(resid   31 and  name HB2  ) 1.8 0.0 1.7
assign (resid   32 and  name HN   )(resid   32 and  name HB1  ) 1.8 0.0 2.7
assign (resid   32 and  name HN   )(resid   32 and  name HB2  ) 1.8 0.0 2.7
assign (resid   34 and  name HN   )(resid   34 and  name HB   ) 1.8 0.0 1.7
assign (resid   34 and  name HN   )(resid   34 and  name HG1* ) 1.8 0.0 3.2 
assign (resid   34 and  name HN   )(resid   34 and  name HG2* ) 1.8 0.0 3.2 
assign (resid   36 and  name HN   )(resid   36 and  name HB   ) 1.8 0.0 1.7
assign (resid   36 and  name HN   )(resid   36 and  name HG1* ) 2.5 0.7 3.0 
assign (resid   36 and  name HN   )(resid   36 and  name HG2* ) 2.5 0.7 3.0 
assign (resid   37 and  name HN   )(resid   37 and  name HB   ) 1.8 0.0 1.7
assign (resid   38 and  name HN   )(resid   38 and  name HB*  ) 2.5 0.7 3.5
assign (resid   39 and  name HN   )(resid   39 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   40 and  name HN   )(resid   40 and  name HB*  ) 2.0 0.2 2.5
assign (resid   41 and  name HN   )(resid   41 and  name HB1  ) 1.8 0.0 1.7
assign (resid   41 and  name HN   )(resid   41 and  name HB2  ) 1.8 0.0 1.7
assign (resid   41 and  name HN   )(resid   41 and  name HD1* ) 1.8 0.0 5.2 
assign (resid   41 and  name HN   )(resid   41 and  name HD2* ) 1.8 0.0 5.2 
assign (resid   42 and  name HN   )(resid   42 and  name HB1  ) 1.8 0.0 1.7
assign (resid   42 and  name HN   )(resid   42 and  name HB2  ) 1.8 0.0 1.7
assign (resid   43 and  name HN   )(resid   43 and  name HB1  ) 2.5 0.7 2.5
assign (resid   43 and  name HN   )(resid   43 and  name HB2  ) 2.5 0.7 2.5
assign (resid   44 and  name HN   )(resid   44 and  name HB*  ) 1.8 0.0 2.7
assign (resid   45 and  name HN   )(resid   45 and  name HB1  ) 1.8 0.0 1.7
assign (resid   45 and  name HN   )(resid   45 and  name HB2  ) 1.8 0.0 1.7
assign (resid   49 and  name HN   )(resid   49 and  name HB*  ) 1.8 0.0 2.7
assign (resid   50 and  name HN   )(resid   50 and  name HB   ) 1.8 0.0 1.7
assign (resid   50 and  name HN   )(resid   50 and  name HG11 ) 2.5 0.7 2.5
assign (resid   50 and  name HN   )(resid   50 and  name HG2* ) 1.8 0.0 3.2 
assign (resid   50 and  name HN   )(resid   50 and  name HD*  ) 1.8 0.0 3.2 
assign (resid   50 and  name HN   )(resid   50 and  name HG12 ) 2.5 0.7 2.5
assign (resid   54 and  name HN   )(resid   54 and  name HB1  ) 1.8 0.0 2.2
assign (resid   54 and  name HN   )(resid   54 and  name HB2  ) 1.8 0.0 2.2
assign (resid   56 and  name HN   )(resid   56 and  name HB1  ) 2.0 0.2 2.5
assign (resid   56 and  name HN   )(resid   56 and  name HB2  ) 2.0 0.2 2.5
assign (resid   63 and  name HN   )(resid   63 and  name HB*  ) 2.0 0.2 3.5
assign (resid   65 and  name HN   )(resid   65 and  name HB1  ) 2.0 0.2 2.5
assign (resid   65 and  name HN   )(resid   65 and  name HB2  ) 2.0 0.2 2.5
assign (resid   66 and  name HN   )(resid   66 and  name HB   ) 1.8 0.0 1.7
assign (resid   66 and  name HN   )(resid   66 and  name HG1* ) 1.8 0.0 3.7 
assign (resid   66 and  name HN   )(resid   66 and  name HG2* ) 1.8 0.0 3.7 
assign (resid   67 and  name HN   )(resid   67 and  name HB*  ) 2.5 0.7 3.5
assign (resid   68 and  name HN   )(resid   68 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   68 and  name HN   )(resid   68 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   68 and  name HN   )(resid   68 and  name HB   ) 2.0 0.2 2.0
assign (resid   71 and  name HN   )(resid   71 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   72 and  name HN   )(resid   72 and  name HG*  ) 1.8 0.0 4.7 
assign (resid   73 and  name HN   )(resid   73 and  name HG1  ) 1.8 0.0 3.2
assign (resid   73 and  name HN   )(resid   73 and  name HG2  ) 1.8 0.0 3.2
assign (resid   73 and  name HN   )(resid   73 and  name HB1  ) 1.8 0.0 2.7
assign (resid   73 and  name HN   )(resid   73 and  name HB2  ) 1.8 0.0 2.7
assign (resid   74 and  name HN   )(resid   74 and  name HB1  ) 1.8 0.0 2.7
assign (resid   74 and  name HN   )(resid   74 and  name HB2  ) 1.8 0.0 2.7
assign (resid   77 and  name HN   )(resid   77 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   78 and  name HN   )(resid   78 and  name HB1  ) 1.8 0.0 2.7
assign (resid   78 and  name HN   )(resid   78 and  name HB2  ) 1.8 0.0 2.7
assign (resid   80 and  name HN   )(resid   80 and  name HB1  ) 1.8 0.0 2.7
assign (resid   80 and  name HN   )(resid   80 and  name HB2  ) 1.8 0.0 2.7
assign (resid   81 and  name HN   )(resid   81 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   82 and  name HN   )(resid   82 and  name HB1  ) 1.8 0.0 2.7
assign (resid   82 and  name HN   )(resid   82 and  name HB2  ) 1.8 0.0 2.7
assign (resid   85 and  name HN   )(resid   85 and  name HB1  ) 1.8 0.0 2.2
assign (resid   85 and  name HN   )(resid   85 and  name HB2  ) 1.8 0.0 2.2
assign (resid   86 and  name HN   )(resid   86 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   88 and  name HN   )(resid   88 and  name HB*  ) 1.8 0.0 2.7
assign (resid   88 and  name HN   )(resid   88 and  name HG1  ) 2.0 0.2 2.5
assign (resid   88 and  name HN   )(resid   88 and  name HG2  ) 2.0 0.2 2.5
assign (resid   89 and  name HN   )(resid   89 and  name HB*  ) 2.5 0.7 2.5 
assign (resid   89 and  name HN   )(resid   89 and  name HG1  ) 2.0 0.2 2.5
assign (resid   89 and  name HN   )(resid   89 and  name HG2  ) 2.0 0.2 2.5
assign (resid   90 and  name HN   )(resid   90 and  name HB1  ) 2.5 0.7 2.5
assign (resid   90 and  name HN   )(resid   90 and  name HB2  ) 2.5 0.7 2.5
assign (resid   91 and  name HN   )(resid   91 and  name HB*  ) 1.8 0.0 4.7
assign (resid   91 and  name HN   )(resid   91 and  name HB*  ) 1.8 0.0 3.0
assign (resid   92 and  name HN   )(resid   92 and  name HB   ) 1.8 0.0 1.7
assign (resid   92 and  name HN   )(resid   92 and  name HG1* ) 1.8 0.0 3.7 
assign (resid   92 and  name HN   )(resid   92 and  name HG2* ) 1.8 0.0 3.7 
assign (resid   94 and  name HN   )(resid   94 and  name HB   ) 1.8 0.0 2.2
assign (resid   94 and  name HN   )(resid   94 and  name HG11 ) 2.5 0.7 2.5
assign (resid   94 and  name HN   )(resid   94 and  name HG12 ) 2.5 0.7 2.5
assign (resid   95 and  name HN   )(resid   95 and  name HB1  ) 1.8 0.0 2.7
assign (resid   95 and  name HN   )(resid   95 and  name HB2  ) 1.8 0.0 2.7
assign (resid   96 and  name HN   )(resid   97 and  name HB1  ) 1.8 0.0 3.7
assign (resid   96 and  name HN   )(resid   97 and  name HB2  ) 1.8 0.0 3.7
assign (resid   96 and  name HN   )(resid   96 and  name HB*  ) 1.8 0.0 2.7 
assign (resid   97 and  name HN   )(resid   97 and  name HB1  ) 1.8 0.0 2.7
assign (resid   97 and  name HN   )(resid   97 and  name HB2  ) 1.8 0.0 2.7
assign (resid   97 and  name HN   )(resid   97 and  name HD1* ) 1.8 0.0 3.2 
assign (resid   97 and  name HN   )(resid   97 and  name HD2* ) 1.8 0.0 3.2 
assign (resid   98 and  name HN   )(resid   98 and  name HB*  ) 1.8 0.0 2.7
assign (resid   99 and  name HN   )(resid   99 and  name HB1  ) 1.8 0.0 2.7
assign (resid   99 and  name HN   )(resid   99 and  name HB2  ) 1.8 0.0 2.7
assign (resid  100 and  name HN   )(resid  100 and  name HB*  ) 1.8 0.0 2.7
assign (resid  100 and  name HN   )(resid  100 and  name HG*  ) 1.8 0.0 2.7
assign (resid  103 and  name HN   )(resid  103 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  104 and  name HN   )(resid  104 and  name HB1  ) 1.8 0.0 2.7
assign (resid  104 and  name HN   )(resid  104 and  name HB2  ) 1.8 0.0 2.7
assign (resid  105 and  name HN   )(resid  105 and  name HB1  ) 1.8 0.0 2.7
assign (resid  105 and  name HN   )(resid  105 and  name HB2  ) 1.8 0.0 2.7
assign (resid  108 and  name HN   )(resid  108 and  name HB*  ) 1.8 0.0 2.7
assign (resid  109 and  name HN   )(resid  109 and  name HB*  ) 1.8 0.0 2.7
assign (resid  109 and  name HN   )(resid  109 and  name HG*  ) 2.5 0.7 2.7
assign (resid  110 and  name HN   )(resid  110 and  name HB   ) 1.8 0.0 2.7 
assign (resid  110 and  name HN   )(resid  110 and  name HG2* ) 1.8 0.0 3.0
assign (resid  112 and  name HN   )(resid  112 and  name HB*  ) 1.8 0.0 3.5
assign (resid  113 and  name HN   )(resid  113 and  name HB*  ) 1.8 0.0 2.7
assign (resid  113 and  name HN   )(resid  113 and  name HB*  ) 1.8 0.0 3.2
assign (resid  114 and  name HN   )(resid  114 and  name HB*  ) 1.8 0.0 2.7
assign (resid  115 and  name HN   )(resid  115 and  name HB1  ) 1.8 0.0 2.2
assign (resid  115 and  name HN   )(resid  115 and  name HB2  ) 1.8 0.0 2.2
assign (resid  116 and  name HN   )(resid  116 and  name HB1  ) 1.8 0.0 2.7
assign (resid  116 and  name HN   )(resid  116 and  name HB2  ) 1.8 0.0 2.7
assign (resid  116 and  name HN   )(resid  116 and  name HG1  ) 1.8 0.0 2.2
assign (resid  116 and  name HN   )(resid  116 and  name HG2  ) 1.8 0.0 2.2
assign (resid  117 and  name HN   )(resid  117 and  name HB1  ) 1.8 0.0 2.7
assign (resid  117 and  name HN   )(resid  117 and  name HB2  ) 1.8 0.0 2.7
assign (resid  118 and  name HN   )(resid  118 and  name HB   ) 1.8 0.0 1.2
assign (resid  118 and  name HN   )(resid  118 and  name HG1* ) 1.8 0.0 3.2 
assign (resid  118 and  name HN   )(resid  118 and  name HG2* ) 1.8 0.0 3.2 
assign (resid  119 and  name HN   )(resid  119 and  name HB1  ) 2.5 0.7 3.5
assign (resid  119 and  name HN   )(resid  119 and  name HB2  ) 2.5 0.7 3.5
assign (resid  120 and  name HN   )(resid  120 and  name HB1  ) 1.8 0.0 1.7
assign (resid  120 and  name HN   )(resid  120 and  name HB2  ) 1.8 0.0 1.7
assign (resid  120 and  name HN   )(resid  120 and  name HG1  ) 1.8 0.0 2.2
assign (resid  121 and  name HN   )(resid  121 and  name HD*  ) 1.8 0.0 4.2 
assign (resid  122 and  name HN   )(resid  122 and  name HG1* ) 2.0 0.2 3.0
assign (resid  122 and  name HN   )(resid  122 and  name HG2* ) 2.0 0.2 3.0
assign (resid  122 and  name HN   )(resid  122 and  name HB*  ) 2.0 0.2 3.0
assign (resid  123 and  name HN   )(resid  123 and  name HB1  ) 1.8 0.0 2.7
assign (resid  123 and  name HN   )(resid  123 and  name HB2  ) 1.8 0.0 2.7
assign (resid  124 and  name HN   )(resid  124 and  name HB1  ) 1.8 0.0 2.2
assign (resid  124 and  name HN   )(resid  124 and  name HB2  ) 1.8 0.0 2.2
assign (resid  125 and  name HN   )(resid  125 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  126 and  name HN   )(resid  126 and  name HG2* ) 2.5 0.7 3.5
assign (resid  128 and  name HN   )(resid  128 and  name HB   ) 2.5 0.7 2.2
assign (resid  128 and  name HN   )(resid  128 and  name HG11 ) 2.0 0.2 3.0
assign (resid  128 and  name HN   )(resid  128 and  name HG12 ) 2.0 0.2 3.0
assign (resid  129 and  name HN   )(resid  129 and  name HB1  ) 1.8 0.0 1.7
assign (resid  129 and  name HN   )(resid  129 and  name HB2  ) 1.8 0.0 1.7
assign (resid  130 and  name HN   )(resid  130 and  name HB1  ) 1.8 0.0 1.7
assign (resid  130 and  name HN   )(resid  130 and  name HB2  ) 1.8 0.0 1.7
assign (resid  132 and  name HN   )(resid  132 and  name HB*  ) 1.8 0.0 1.7
assign (resid  133 and  name HN   )(resid  133 and  name HB1  ) 1.8 0.0 1.7
assign (resid  133 and  name HN   )(resid  133 and  name HB2  ) 1.8 0.0 1.7
assign (resid  134 and  name HN   )(resid  134 and  name HB   ) 1.8 0.0 2.7
assign (resid  134 and  name HN   )(resid  134 and  name HG2* ) 2.5 0.7 3.5 
assign (resid  135 and  name HN   )(resid  135 and  name HB1  ) 1.8 0.0 1.7
assign (resid  135 and  name HN   )(resid  135 and  name HB2  ) 1.8 0.0 1.7
assign (resid  138 and  name HN   )(resid  138 and  name HB1  ) 1.8 0.0 1.7
assign (resid  138 and  name HN   )(resid  138 and  name HB2  ) 1.8 0.0 1.7
assign (resid  138 and  name HN   )(resid  138 and  name HG*  ) 2.5 0.7 3.0
assign (resid  139 and  name HN   )(resid  139 and  name HB*  ) 1.8 0.0 1.7
assign (resid  140 and  name HN   )(resid  140 and  name HB1  ) 1.8 0.0 1.7
assign (resid  140 and  name HN   )(resid  140 and  name HB2  ) 1.8 0.0 1.7
assign (resid  140 and  name HN   )(resid  140 and  name HD1* ) 1.8 0.0 2.7 
assign (resid  140 and  name HN   )(resid  140 and  name HD2* ) 1.8 0.0 2.7 
assign (resid  141 and  name HN   )(resid  141 and  name HG2* ) 2.5 0.7 3.0
assign (resid  143 and  name HN   )(resid  143 and  name HB*  ) 1.8 0.0 1.7
assign (resid  143 and  name HN   )(resid  143 and  name HG*  ) 2.5 0.7 2.5
assign (resid  144 and  name HN   )(resid  144 and  name HB*  ) 1.8 0.0 1.7
assign (resid  146 and  name HN   )(resid  146 and  name HB1  ) 1.8 0.0 1.7
assign (resid  146 and  name HN   )(resid  146 and  name HB2  ) 1.8 0.0 1.7
assign (resid  146 and  name HN   )(resid  146 and  name HD1* ) 1.8 0.0 3.7 
assign (resid  146 and  name HN   )(resid  146 and  name HD2* ) 1.8 0.0 3.7 
assign (resid  147 and  name HN   )(resid  147 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  150 and  name HN   )(resid  150 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  151 and  name HN   )(resid  151 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  153 and  name HN   )(resid  153 and  name HB1  ) 1.8 0.0 1.7
assign (resid  153 and  name HN   )(resid  153 and  name HB2  ) 1.8 0.0 1.7
assign (resid  153 and  name HN   )(resid  153 and  name HG1  ) 2.5 0.7 2.0
assign (resid  153 and  name HN   )(resid  153 and  name HG2  ) 2.5 0.7 2.0
assign (resid  154 and  name HN   )(resid  154 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  155 and  name HN   )(resid  155 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  160 and  name HN   )(resid  160 and  name HB*  ) 1.8 0.0 2.7 
assign (resid  161 and  name HN   )(resid  161 and  name HB1  ) 1.8 0.0 1.7
assign (resid  161 and  name HN   )(resid  161 and  name HB2  ) 1.8 0.0 1.7
assign (resid  162 and  name HN   )(resid  162 and  name HB*  ) 1.8 0.0 2.2
assign (resid  163 and  name HN   )(resid  163 and  name HB   ) 1.8 0.0 1.7
assign (resid  163 and  name HN   )(resid  163 and  name HG1* ) 1.8 0.0 2.7 
assign (resid  163 and  name HN   )(resid  163 and  name HG2* ) 1.8 0.0 2.7 
assign (resid  165 and  name HN   )(resid  165 and  name HB1  ) 1.8 0.0 2.2
assign (resid  165 and  name HN   )(resid  165 and  name HB2  ) 1.8 0.0 2.2
assign (resid  166 and  name HN   )(resid  166 and  name HB1  ) 1.8 0.0 2.2
assign (resid  166 and  name HN   )(resid  166 and  name HB2  ) 1.8 0.0 2.2
assign (resid  167 and  name HN   )(resid  167 and  name HB1  ) 1.8 0.0 1.7
assign (resid  167 and  name HN   )(resid  167 and  name HB2  ) 1.8 0.0 1.7
assign (resid  168 and  name HN   )(resid  168 and  name HB1  ) 1.8 0.0 2.2
assign (resid  168 and  name HN   )(resid  168 and  name HB2  ) 1.8 0.0 2.2
assign (resid  168 and  name HN   )(resid  168 and  name HG*  ) 2.2 0.4 3.0
assign (resid  169 and  name HN   )(resid  169 and  name HB1  ) 1.8 0.0 2.2
assign (resid  169 and  name HN   )(resid  169 and  name HB2  ) 1.8 0.0 2.2
assign (resid  169 and  name HN   )(resid  169 and  name HG*  ) 2.5 0.7 3.0
!Trytophan HE1
assign (resid   31 and  name HE1  )(resid   31 and  name HB1  ) 3.5 1.7 4.0
assign (resid   31 and  name HE1  )(resid   31 and  name HB2  ) 3.5 1.7 4.0
assign (resid   49 and  name HE1  )(resid   49 and  name HB*  ) 3.5 1.7 4.0
assign (resid   99 and  name HE1  )(resid   99 and  name HB*  ) 3.5 1.7 4.0
assign (resid   99 and  name HE1  )(resid   94 and  name HB   ) 3.5 1.7 2.0
!side-chain to side-chain
assign (resid    4 and  name HA   )(resid    4 and  name HB   ) 1.8 0.0 1.7
assign (resid    4 and  name HB   )(resid    4 and  name HG1* ) 1.8 0.0 2.7 
assign (resid    4 and  name HB   )(resid    4 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   10 and  name HA   )(resid   10 and  name HB1  ) 1.8 0.0 1.7
assign (resid   10 and  name HA   )(resid   10 and  name HB2  ) 1.8 0.0 1.7
assign (resid   11 and  name HA   )(resid   11 and  name HB1  ) 1.8 0.0 1.7
assign (resid   11 and  name HA   )(resid   11 and  name HB2  ) 1.8 0.0 1.7
assign (resid   11 and  name HA   )(resid   11 and  name HD*  ) 2.5 0.7 3.9 
assign (resid   12 and  name HA   )(resid   12 and  name HB   ) 1.8 0.0 1.2
assign (resid   12 and  name HA   )(resid   12 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   12 and  name HA   )(resid   12 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   12 and  name HB   )(resid   12 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   12 and  name HB   )(resid   12 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   13 and  name HA   )(resid   13 and  name HB1  ) 1.8 0.0 1.7
assign (resid   13 and  name HA   )(resid   13 and  name HB2  ) 1.8 0.0 1.7
assign (resid   13 and  name HD21 )(resid   13 and  name HB1  ) 2.5 0.7 3.0
assign (resid   13 and  name HD21 )(resid   13 and  name HB2  ) 1.7 0.0 3.0
assign (resid   16 and  name HA   )(resid   16 and  name HB1  ) 1.8 0.0 1.7
assign (resid   16 and  name HA   )(resid   16 and  name HB2  ) 1.8 0.0 1.7
assign (resid   18 and  name HA   )(resid   18 and  name HB   ) 1.8 0.0 1.2
assign (resid   18 and  name HG1* )(resid   18 and  name HA   ) 1.8 0.0 4.2 
assign (resid   18 and  name HB   )(resid   18 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   18 and  name HB   )(resid   18 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   18 and  name HG1* )(resid   18 and  name HG2* ) 1.8 0.0 4.2 
assign (resid   19 and  name HB   )(resid   19 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   19 and  name HB   )(resid   19 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   19 and  name HG1* )(resid   19 and  name HG2* ) 1.8 0.0 3.7 
assign (resid   21 and  name HA   )(resid   21 and  name HG1  ) 1.8 0.0 2.7
assign (resid   21 and  name HA   )(resid   21 and  name HG2  ) 1.8 0.0 2.7
assign (resid   21 and  name HA   )(resid   21 and  name HB1  ) 1.8 0.0 2.7
assign (resid   21 and  name HA   )(resid   21 and  name HB2  ) 1.8 0.0 2.7
assign (resid   22 and  name HD*  )(resid   22 and  name HG11 ) 1.8 0.0 3.7 
assign (resid   22 and  name HD*  )(resid   22 and  name HG12 ) 1.8 0.0 3.7 
assign (resid   22 and  name HD*  )(resid   22 and  name HG2* ) 1.8 0.0 3.7 
assign (resid   22 and  name HD*  )(resid   22 and  name HB   ) 1.8 0.0 2.7 
assign (resid   22 and  name HD*  )(resid   22 and  name HA   ) 1.8 0.0 2.7 
assign (resid   22 and  name HG2* )(resid   22 and  name HG11 ) 1.8 0.0 3.7 
assign (resid   22 and  name HG2* )(resid   22 and  name HG12 ) 1.8 0.0 3.7 
assign (resid   22 and  name HG2* )(resid   22 and  name HB   ) 1.8 0.0 2.2 
assign (resid   22 and  name HG2* )(resid   22 and  name HA   ) 1.8 0.0 2.7 
assign (resid   25 and  name HB   )(resid   25 and  name HA   ) 1.8 0.0 1.7
assign (resid   25 and  name HB   )(resid   25 and  name HG2* ) 1.8 0.0 2.2 
assign (resid   27 and  name HA   )(resid   27 and  name HB1  ) 1.8 0.0 1.7
assign (resid   27 and  name HA   )(resid   27 and  name HB2  ) 1.8 0.0 1.7
assign (resid   27 and  name HA   )(resid   27 and  name HG*  ) 1.8 0.0 2.7
assign (resid   28 and  name HB*  )(resid   28 and  name HA   ) 1.8 0.0 2.2 
assign (resid   29 and  name HA   )(resid   29 and  name HB1* ) 1.8 0.0 2.7
assign (resid   29 and  name HA   )(resid   29 and  name HB2* ) 1.8 0.0 2.7
assign (resid   29 and  name HA   )(resid   29 and  name HD1* ) 2.0 0.2 3.0 
assign (resid   29 and  name HA   )(resid   29 and  name HD2* ) 2.0 0.2 3.0 
assign (resid   29 and  name HA   )(resid   29 and  name HG1  ) 2.0 0.2 2.0
assign (resid   29 and  name HD1* )(resid   29 and  name HB1  ) 1.8 0.0 3.2 
assign (resid   29 and  name HD1* )(resid   29 and  name HB2  ) 1.8 0.0 3.2 
assign (resid   29 and  name HD1* )(resid   29 and  name HG   ) 1.8 0.0 3.2 
assign (resid   29 and  name HD2* )(resid   29 and  name HB1  ) 1.8 0.0 3.2 
assign (resid   29 and  name HD2* )(resid   29 and  name HB2  ) 1.8 0.0 3.2 
assign (resid   29 and  name HD2* )(resid   29 and  name HG   ) 1.8 0.0 3.2 
assign (resid   29 and  name HD1* )(resid   29 and  name HD2* ) 1.8 0.0 4.2 
assign (resid   31 and  name HA   )(resid   31 and  name HB1  ) 1.8 0.0 1.7
assign (resid   31 and  name HA   )(resid   31 and  name HB2  ) 1.8 0.0 1.7
assign (resid   31 and  name HA   )(resid   31 and  name HE3  ) 2.5 0.7 3.0
assign (resid   34 and  name HA   )(resid   34 and  name HB   ) 1.8 0.0 1.7
assign (resid   34 and  name HA   )(resid   34 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   34 and  name HA   )(resid   34 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   34 and  name HB   )(resid   34 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   34 and  name HB   )(resid   34 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   36 and  name HA   )(resid   36 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   36 and  name HA   )(resid   36 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   36 and  name HA   )(resid   36 and  name HB   ) 1.8 0.0 1.7
assign (resid   36 and  name HB   )(resid   36 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   36 and  name HB   )(resid   36 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   37 and  name HA   )(resid   37 and  name HB   ) 1.8 0.0 1.7
assign (resid   37 and  name HA   )(resid   37 and  name HG1* ) 1.8 0.0 3.2 
assign (resid   37 and  name HA   )(resid   37 and  name HG2* ) 1.8 0.0 3.2 
assign (resid   37 and  name HB   )(resid   37 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   37 and  name HB   )(resid   37 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   38 and  name HA   )(resid   38 and  name HB*  ) 1.8 0.0 2.7
assign (resid   39 and  name HA   )(resid   39 and  name HB*  ) 1.8 0.0 2.7
assign (resid   43 and  name HA   )(resid   43 and  name HB1  ) 1.8 0.0 1.7
assign (resid   43 and  name HA   )(resid   43 and  name HB2  ) 1.8 0.0 1.7
assign (resid   48 and  name HD1* )(resid   48 and  name HD2* ) 1.8 0.0 3.7 
assign (resid   48 and  name HD1* )(resid   48 and  name HG   ) 1.8 0.0 2.7 
assign (resid   48 and  name HD1* )(resid   48 and  name HA   ) 2.5 0.7 3.5 
assign (resid   48 and  name HD2* )(resid   48 and  name HG   ) 1.8 0.0 2.7 
assign (resid   48 and  name HD2* )(resid   48 and  name HA   ) 1.8 0.0 3.2 
assign (resid   50 and  name HD*  )(resid   50 and  name HG11 ) 1.8 0.0 3.7 
assign (resid   50 and  name HD*  )(resid   50 and  name HG12 ) 1.8 0.0 3.7 
assign (resid   50 and  name HD*  )(resid   50 and  name HG2* ) 2.5 0.7 4.0 
assign (resid   50 and  name HD*  )(resid   50 and  name HB   ) 2.2 0.4 3.0 
assign (resid   50 and  name HD*  )(resid   50 and  name HA   ) 1.8 0.0 3.2 
assign (resid   50 and  name HG2* )(resid   50 and  name HG11 ) 1.8 0.0 4.0 
assign (resid   50 and  name HG2* )(resid   50 and  name HG12 ) 1.8 0.0 4.0 
assign (resid   50 and  name HG2* )(resid   50 and  name HB   ) 1.8 0.0 2.7 
assign (resid   50 and  name HG2* )(resid   50 and  name HA   ) 1.8 0.0 3.5 
assign (resid   54 and  name HA   )(resid   54 and  name HB1  ) 1.8 0.0 1.7
assign (resid   54 and  name HA   )(resid   54 and  name HB2  ) 1.8 0.0 1.7
assign (resid   54 and  name HB1  )(resid   54 and  name HB2  ) 1.7 0.0 1.8
assign (resid   54 and  name HB1  )(resid   55 and  name HD*  ) 1.8 0.0 4.2
assign (resid   56 and  name HA   )(resid   56 and  name HB1  ) 1.8 0.0 1.7
assign (resid   56 and  name HA   )(resid   56 and  name HB2  ) 1.8 0.0 1.7
assign (resid   63 and  name HA   )(resid   63 and  name HB*  ) 1.8 0.0 2.7
assign (resid   64 and  name HD1* )(resid   64 and  name HD2* ) 1.8 0.0 3.7 
assign (resid   64 and  name HD1* )(resid   64 and  name HA   ) 1.8 0.0 4.2 
assign (resid   64 and  name HD1* )(resid   64 and  name HG   ) 1.8 0.0 3.7 
assign (resid   64 and  name HD1* )(resid   64 and  name HB1  ) 1.8 0.0 2.7 
assign (resid   64 and  name HD1* )(resid   64 and  name HB2  ) 1.8 0.0 2.7 
assign (resid   64 and  name HD2* )(resid   64 and  name HA   ) 1.8 0.0 2.7 
assign (resid   64 and  name HD2* )(resid   64 and  name HG   ) 1.8 0.0 2.7 
assign (resid   66 and  name HA   )(resid   66 and  name HB   ) 1.8 0.0 1.7
assign (resid   66 and  name HA   )(resid   66 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   66 and  name HA   )(resid   66 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   66 and  name HG1* )(resid   38 and  name HB*  ) 1.8 0.0 4.2 
assign (resid   66 and  name HG1* )(resid   66 and  name HB   ) 1.8 0.0 2.7 
assign (resid   66 and  name HG2* )(resid   66 and  name HB   ) 1.8 0.0 2.7 
assign (resid   66 and  name HG1* )(resid   66 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   68 and  name HA   )(resid   68 and  name HG1* ) 1.8 0.0 2.7 
assign (resid   68 and  name HA   )(resid   68 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   68 and  name HA   )(resid   68 and  name HB   ) 1.8 0.0 1.2
assign (resid   68 and  name HG1* )(resid   68 and  name HB   ) 1.8 0.0 2.7 
assign (resid   68 and  name HG2* )(resid   68 and  name HB   ) 1.8 0.0 2.7 
assign (resid   68 and  name HG2* )(resid   68 and  name HB   ) 1.8 0.0 2.2 
assign (resid   69 and  name HA1  )(resid   69 and  name HA2  ) 1.8 0.0 2.2
assign (resid   69 and  name HA1  )(resid   66 and  name HG1* ) 2.5 0.7 4.0
assign (resid   71 and  name HA   )(resid   71 and  name HB*  ) 1.8 0.0 2.2 
assign (resid   72 and  name HA   )(resid   72 and  name HB   ) 1.8 0.0 2.2
assign (resid   72 and  name HA   )(resid   72 and  name HG*  ) 1.8 0.0 4.1 
assign (resid   74 and  name HA   )(resid   74 and  name HB1  ) 1.8 0.0 2.7
assign (resid   74 and  name HA   )(resid   74 and  name HB2  ) 1.8 0.0 2.7
assign (resid   74 and  name HB1  )(resid   74 and  name HB2  ) 1.6 0.0 1.2
assign (resid   77 and  name HA   )(resid   77 and  name HB   ) 1.8 0.0 1.7
assign (resid   77 and  name HA   )(resid   77 and  name HG2* ) 2.5 0.7 3.0 
assign (resid   77 and  name HB   )(resid   77 and  name HG2* ) 1.8 0.0 2.2 
assign (resid   78 and  name HA   )(resid   78 and  name HB1  ) 1.8 0.0 2.7
assign (resid   78 and  name HA   )(resid   78 and  name HB2  ) 1.8 0.0 2.7
assign (resid   78 and  name HA   )(resid   78 and  name HD*  ) 1.8 0.0 3.7 
assign (resid   78 and  name HA   )(resid   78 and  name HD*  ) 3.5 1.7 4.0 
assign (resid   78 and  name HD*  )(resid   78 and  name HB1  ) 1.8 0.0 4.2 
assign (resid   78 and  name HD*  )(resid   78 and  name HB2  ) 1.8 0.0 4.2 
assign (resid   81 and  name HB*  )(resid   81 and  name HA   ) 1.8 0.0 2.7 
assign (resid   86 and  name HA   )(resid   86 and  name HB*  ) 1.8 0.0 2.2 
assign (resid   92 and  name HA   )(resid   92 and  name HB   ) 1.8 0.0 1.7
assign (resid   92 and  name HG1* )(resid   92 and  name HA   ) 1.8 0.0 2.7 
assign (resid   92 and  name HG1* )(resid   92 and  name HB   ) 1.8 0.0 2.2 
assign (resid   92 and  name HG2* )(resid   92 and  name HA   ) 1.8 0.0 2.7 
assign (resid   92 and  name HG2* )(resid   92 and  name HB   ) 1.8 0.0 2.2 
assign (resid   92 and  name HG1* )(resid   92 and  name HG2* ) 1.8 0.0 2.7 
assign (resid   94 and  name HA   )(resid   94 and  name HB   ) 1.8 0.0 1.7
assign (resid   94 and  name HD*  )(resid   94 and  name HG11 ) 1.8 0.0 3.7 
assign (resid   94 and  name HD*  )(resid   94 and  name HG12 ) 1.8 0.0 3.7 
assign (resid   94 and  name HD*  )(resid   94 and  name HG2* ) 2.5 0.7 3.5 
assign (resid   94 and  name HD*  )(resid   94 and  name HB   ) 2.2 0.4 3.0 
assign (resid   94 and  name HD*  )(resid   94 and  name HA   ) 1.8 0.0 3.2 
assign (resid   94 and  name HG2* )(resid   94 and  name HB   ) 1.8 0.0 2.7 
assign (resid   94 and  name HG2* )(resid   94 and  name HA   ) 1.8 0.0 3.5 
assign (resid   97 and  name HA   )(resid   97 and  name HB1  ) 1.8 0.0 2.7
assign (resid   97 and  name HA   )(resid   97 and  name HB2  ) 1.8 0.0 2.7
assign (resid   97 and  name HA   )(resid   97 and  name HG   ) 2.2 0.4 2.8
assign (resid   97 and  name HA   )(resid   97 and  name HD1* ) 2.5 0.7 4.0 
assign (resid   97 and  name HA   )(resid   97 and  name HD2* ) 2.5 0.7 4.0 
assign (resid   97 and  name HG   )(resid   97 and  name HD1* ) 1.8 0.0 2.7 
assign (resid   97 and  name HG   )(resid   97 and  name HD2* ) 1.8 0.0 2.7 
assign (resid   98 and  name HA   )(resid   98 and  name HB1  ) 1.8 0.0 2.7
assign (resid   98 and  name HA   )(resid   98 and  name HB2  ) 1.8 0.0 2.7
assign (resid   99 and  name HA   )(resid   99 and  name HB1  ) 1.8 0.0 1.7
assign (resid   99 and  name HA   )(resid   99 and  name HB2  ) 1.8 0.0 1.7
assign (resid  100 and  name HA   )(resid  100 and  name HB*  ) 1.8 0.0 2.7
assign (resid  101 and  name HA   )(resid  101 and  name HB1  ) 1.8 0.0 1.7
assign (resid  101 and  name HA   )(resid  101 and  name HB2  ) 1.8 0.0 1.7
assign (resid  103 and  name HA   )(resid  103 and  name HB*  ) 1.8 0.0 2.2 
assign (resid  104 and  name HA   )(resid  104 and  name HB1  ) 1.8 0.0 1.7
assign (resid  104 and  name HA   )(resid  104 and  name HB2  ) 1.8 0.0 1.7
assign (resid  105 and  name HA   )(resid  105 and  name HB1  ) 1.8 0.0 1.7
assign (resid  105 and  name HA   )(resid  105 and  name HB2  ) 1.8 0.0 2.7
assign (resid  110 and  name HG2* )(resid  110 and  name HA   ) 1.8 0.0 2.7 
assign (resid  110 and  name HG2* )(resid  110 and  name HB   ) 1.8 0.0 2.7 
assign (resid  111 and  name HB   )(resid  111 and  name HA   ) 1.8 0.0 1.7
assign (resid  111 and  name HB   )(resid  111 and  name HG2* ) 1.8 0.0 2.7 
assign (resid  112 and  name HD2* )(resid  112 and  name HD1* ) 1.8 0.0 4.2 
assign (resid  112 and  name HD2* )(resid  112 and  name HA   ) 1.8 0.0 2.7 
assign (resid  112 and  name HD2* )(resid  112 and  name HG   ) 1.8 0.0 2.7 
assign (resid  112 and  name HD1* )(resid  112 and  name HA   ) 1.8 0.0 2.7 
assign (resid  114 and  name HA   )(resid  114 and  name HB1  ) 1.8 0.0 1.7
assign (resid  114 and  name HA   )(resid  114 and  name HB2  ) 1.8 0.0 1.7
assign (resid  114 and  name HB1  )(resid  114 and  name HB2  ) 1.7 0.0 1.8
assign (resid  116 and  name HA   )(resid  116 and  name HB1  ) 1.8 0.0 1.7
assign (resid  116 and  name HA   )(resid  116 and  name HB2  ) 1.8 0.0 1.7
assign (resid  116 and  name HA   )(resid  116 and  name HE*  ) 3.0 1.2 3.5
assign (resid  116 and  name HE*  )(resid  116 and  name HG1  ) 1.8 0.0 2.7 
assign (resid  116 and  name HE*  )(resid  116 and  name HG2  ) 1.8 0.0 2.7 
assign (resid  117 and  name HA   )(resid  117 and  name HB1  ) 1.8 0.0 1.7
assign (resid  117 and  name HA   )(resid  117 and  name HB2  ) 1.8 0.0 1.7
assign (resid  118 and  name HA   )(resid  118 and  name HB   ) 1.8 0.0 1.7
assign (resid  118 and  name HA   )(resid  118 and  name HG1* ) 1.8 0.0 2.7 
assign (resid  118 and  name HA   )(resid  118 and  name HG2* ) 1.8 0.0 2.7 
assign (resid  119 and  name HD*  )(resid  119 and  name HB1  ) 1.8 0.0 5.2 
assign (resid  119 and  name HD*  )(resid  119 and  name HB2  ) 1.8 0.0 5.2 
assign (resid  120 and  name HA   )(resid  120 and  name HB1  ) 1.8 0.0 2.2
assign (resid  120 and  name HA   )(resid  120 and  name HB2  ) 1.8 0.0 2.2
assign (resid  120 and  name HA   )(resid  120 and  name HG1  ) 2.5 0.7 2.5
assign (resid  120 and  name HA   )(resid  120 and  name HG2  ) 2.5 0.7 2.5
assign (resid  121 and  name HA   )(resid  121 and  name HB*  ) 1.8 0.0 2.2
assign (resid  121 and  name HA   )(resid  121 and  name HD*  ) 2.5 0.7 4.9 
assign (resid  122 and  name HA   )(resid  122 and  name HD*  ) 2.5 0.7 4.0
assign (resid  122 and  name HA   )(resid  122 and  name HG1  ) 1.8 0.0 3.2
assign (resid  122 and  name HA   )(resid  122 and  name HG2  ) 1.8 0.0 3.2
assign (resid  126 and  name HA   )(resid  126 and  name HB   ) 1.8 0.0 1.7
assign (resid  126 and  name HA   )(resid  126 and  name HG2* ) 1.8 0.0 2.7 
assign (resid  126 and  name HB   )(resid  126 and  name HG2* ) 1.8 0.0 2.7 
assign (resid  127 and  name HD1  )(resid  127 and  name HD2  ) 1.2 0.0 1.8
assign (resid  125 and  name HB*  )(resid  125 and  name HA   ) 1.8 0.0 2.2 
assign (resid  128 and  name HD*  )(resid  128 and  name HG11 ) 1.8 0.0 3.7 
assign (resid  128 and  name HD*  )(resid  128 and  name HG12 ) 1.8 0.0 3.7 
assign (resid  128 and  name HD*  )(resid  128 and  name HB   ) 2.2 0.4 3.0 
assign (resid  128 and  name HD*  )(resid  128 and  name HA   ) 1.8 0.0 3.2 
assign (resid  128 and  name HG2* )(resid  128 and  name HG11 ) 1.8 0.0 3.7 
assign (resid  128 and  name HG2* )(resid  128 and  name HG12 ) 1.8 0.0 3.7 
assign (resid  128 and  name HG2* )(resid  128 and  name HB   ) 2.0 0.2 4.0 
assign (resid  128 and  name HG2* )(resid  128 and  name HA   ) 1.8 0.0 3.5 
assign (resid  130 and  name HA   )(resid  130 and  name HB1  ) 1.8 0.0 1.7
assign (resid  130 and  name HA   )(resid  130 and  name HB2  ) 1.8 0.0 1.7
assign (resid  131 and  name HA   )(resid  131 and  name HB1  ) 1.8 0.0 1.7
assign (resid  131 and  name HA   )(resid  131 and  name HB2  ) 1.8 0.0 1.7
assign (resid  131 and  name HA   )(resid  131 and  name HG1  ) 2.0 0.2 3.0
assign (resid  134 and  name HD*  )(resid  134 and  name HG11 ) 1.8 0.0 3.7 
assign (resid  134 and  name HD*  )(resid  134 and  name HG12 ) 1.8 0.0 3.7 
assign (resid  134 and  name HD*  )(resid  134 and  name HG2* ) 2.5 0.7 4.0 
assign (resid  134 and  name HD*  )(resid  134 and  name HB   ) 2.2 0.4 3.0 
assign (resid  134 and  name HD*  )(resid  134 and  name HA   ) 1.8 0.0 3.2 
assign (resid  134 and  name HG2* )(resid  134 and  name HG11 ) 1.8 0.0 4.0 
assign (resid  134 and  name HG2* )(resid  134 and  name HG12 ) 1.8 0.0 4.0 
assign (resid  134 and  name HG2* )(resid  134 and  name HB   ) 1.8 0.0 2.7 
assign (resid  140 and  name HA   )(resid  140 and  name HD1* ) 2.5 0.7 3.5 
assign (resid  140 and  name HA   )(resid  140 and  name HD2* ) 1.8 0.0 2.7 
assign (resid  140 and  name HD1* )(resid  140 and  name HD2* ) 1.8 0.0 4.2 
assign (resid  142 and  name HA   )(resid  142 and  name HB*  ) 1.8 0.0 1.7
assign (resid  142 and  name HA   )(resid  142 and  name HG1  ) 2.5 0.7 3.5
assign (resid  142 and  name HA   )(resid  142 and  name HG2  ) 2.5 0.7 3.5
assign (resid  144 and  name HA   )(resid  144 and  name HB1  ) 1.8 0.0 2.7
assign (resid  144 and  name HA   )(resid  144 and  name HB2  ) 1.8 0.0 2.7
assign (resid  144 and  name HA   )(resid  144 and  name HD1  ) 1.8 0.0 2.7
assign (resid  147 and  name HB*  )(resid  147 and  name HA   ) 1.8 0.0 2.7 
assign (resid  149 and  name HD*  )(resid  149 and  name HG*  ) 1.8 0.0 3.7 
assign (resid  149 and  name HD*  )(resid  149 and  name HG2* ) 2.5 0.7 4.0 
assign (resid  149 and  name HD*  )(resid  149 and  name HB   ) 2.2 0.4 3.0 
assign (resid  149 and  name HD*  )(resid  149 and  name HA   ) 1.8 0.0 3.5 
assign (resid  149 and  name HG2* )(resid  149 and  name HG1* ) 1.8 0.0 3.7 
assign (resid  149 and  name HG2* )(resid  149 and  name HB   ) 2.0 0.4 3.2 
assign (resid  149 and  name HG2* )(resid  149 and  name HA   ) 1.8 0.0 3.5 
assign (resid  150 and  name HB*  )(resid  150 and  name HA   ) 1.8 0.0 2.7 
assign (resid  151 and  name HB*  )(resid  151 and  name HA   ) 1.8 0.0 2.7 
assign (resid  154 and  name HA   )(resid  154 and  name HB*  ) 1.8 0.0 2.2 
assign (resid  155 and  name HA   )(resid  155 and  name HB*  ) 1.8 0.0 2.2 
assign (resid  157 and  name HA1  )(resid  157 and  name HA2  ) 1.7 0.0 2.7
assign (resid  160 and  name HA   )(resid  160 and  name HB*  ) 1.8 0.0 2.2 
assign (resid  163 and  name HA   )(resid  163 and  name HB   ) 1.8 0.0 1.7
assign (resid  163 and  name HA   )(resid  163 and  name HG1* ) 1.8 0.0 3.2 
assign (resid  163 and  name HA   )(resid  163 and  name HG2* ) 1.8 0.0 2.7 
assign (resid  166 and  name HA   )(resid  166 and  name HB1  ) 1.8 0.0 3.5
assign (resid  166 and  name HA   )(resid  166 and  name HB2  ) 1.8 0.0 3.5
assign (resid  167 and  name HD*  )(resid  167 and  name HB1  ) 1.8 0.0 4.7 
assign (resid  167 and  name HD*  )(resid  167 and  name HB2  ) 1.8 0.0 4.7 


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