NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
10200 1pdt cing 1-original 2 XPLOR/CNS distance NOE ambi


assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h3'  and segi   S1)  4.82  0.48  0.96 !   63 -^l  3.22 
assi (resi   1 and name h1'  and segi   S1)
     (resi   1 and name h2'  and segi   S1)  2.52  0.25  0.50 !  283 P--  1.29 
assi (resi   1 and name h3'  and segi   S1)
     (resi   1 and name h2'  and segi   S1)  2.55  0.25  0.51 !  344 P--  1.21 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h1'  and segi   S1)  3.62  0.36  0.72 !   23 -^-  1.60 
assi (resi   1 and name h3'  and segi   S1)
     (resi   1 and name h2'' and segi   S1)  2.75  0.27  0.55 !  345 P--  1.24 
assi (resi   1 and name h1'  and segi   S1)
     (resi   1 and name h2'' and segi   S1)  2.42  0.24  0.48 !  282 P--  1.11 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h2'  and segi   S1)  3.32  0.33  0.66 !  184 P--  1.21 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h2'' and segi   S1)  3.54  0.35  0.71 !  185 -^-  1.40 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h4'  and segi   S1)  4.57  0.46  0.91 !   64 -v-  1.97 
assi (resi   1 and name h1'  and segi   S1)
     (resi   1 and name h4'  and segi   S1)  2.75  0.27  0.55 !  262 -^-  1.50 
assi (resi   2 and name h8   and segi   S1)
     (resi   1 and name h1'  and segi   S1)  3.43  0.34  0.69 !   24 -^-  1.90 
assi (resi   2 and name h8   and segi   S1)
     (resi   1 and name h3'  and segi   S1)  4.14  0.41  0.83 !   60 -^-  1.63 
assi (resi   1 and name h1'  and segi   S1)
     (resi   2 and name h4'  and segi   S1)  4.28  0.43  0.86 !  250 -v-  1.85 
assi (resi   1 and name h1'  and segi   S1)
     (resi   2 and name h3'  and segi   S1)  4.47  0.45  0.89 !  239 -v-  2.35 
assi (resi   2 and name h8   and segi   S1)
     (resi   1 and name h8   and segi   S1)  4.33  0.43  0.87 !    1 0^> 29.58 
assi (resi   2 and name h2   and segi   S1)
     (resi   2 and name h2'  and segi   S1)  4.75  0.47  1.90 !  192 0^> 14.96  upr*2.0
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h4'  and segi   S1)  2.88  0.29  0.58 !  242 P--  1.25 
assi (resi   2 and name h2   and segi   S1)
     (resi   2 and name h1'  and segi   S1)  4.53  0.45  1.82 !   38 -v-  1.88  upr *2.0
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h2'' and segi   S1)  2.19  0.22  0.44 !  276 P--  1.06 
assi (resi   2 and name h2   and segi   S1)
     (resi   2 and name h2'' and segi   S1)  5.00  0.50  2.00 !  191 0v>  5.242 lngr upr
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h2'  and segi   S1)  2.49  0.25  0.50 !  275 P--  1.29 
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h3'  and segi   S1)  3.20  0.32  0.64 !  233 -^-  1.52 
assi (resi   2 and name h8   and segi   S1)
     (resi   2 and name h1'  and segi   S1)  3.39  0.34  0.68 !   25 -^-  1.56 
assi (resi   3 and name h5   and segi   S1)
     (resi   2 and name h2'' and segi   S1)  3.40  0.34  0.68 !  332 -^-  1.49 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h6   and segi   S1)  3.89  0.39  1.56 !    7 0^l 22.01  upr*2.0
assi (resi   2 and name h8   and segi   S1)
     (resi   3 and name h5   and segi   S1)  4.03  0.40  0.81 !   45 -^-  1.66 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h5   and segi   S1)  5.00  0.50  2.00 !   46 0v> 166.52 lngr upr
assi (resi   2 and name h1'  and segi   S1)
     (resi   3 and name h5   and segi   S1)  4.47  0.45  0.89 !  235 -v-  2.04 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h1'  and segi   S1)  3.54  0.35  1.42 !   37 P--  1.20  upr*2.0
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h2'' and segi   S1)  4.86  0.49  1.94 !  194 0^>  4.96  upr*2.0
assi (resi   3 and name h5   and segi   S1)
     (resi   2 and name h2'  and segi   S1)  3.21  0.32  0.64 !  333 -^-  1.63 
assi (resi   3 and name h6   and segi   S1)
     (resi   2 and name h1'  and segi   S1)  3.11  0.31  0.62 !   26 -^-  1.60 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h2'  and segi   S1)  5.00  0.50  2.00 !  195 0v>  5.90  lngr upr
assi (resi   2 and name h4'  and segi   S1)
     (resi   2 and name h2'' and segi   S1)  3.08  0.31  0.62 !  357 P--  1.30 
assi (resi   2 and name h2   and segi   S1)
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 5.00  0.50  2.00 !   85 -v-  2.24  lngr upr
assi (resi   2 and name h2   and segi   S1)
     (resi  16 and name hb2  and segi   S2)  2.98  0.30  1.20 !   67 P--  1.22  upr*1.5
assi (resi   2 and name h2   and segi   S1)
    ((resi  16 and name hg2  and segi   S2) or
     (resi  16 and name hg1  and segi   S2)) 4.28  0.43  1.72 !   87 -v-  2.67  upr*2.0
assi (resi   2 and name h2   and segi   S1)
     (resi  16 and name hb1  and segi   S2)  3.31  0.33  1.32 !   72 -^-  1.45  upr*2.0
assi (resi   2 and name h2   and segi   S1)
    ((resi  16 and name hd1  and segi   S2) or
     (resi  16 and name hd2  and segi   S2)) 3.52  0.35  1.40 !   73 -^-  1.59  upr*2.0
assi (resi   2 and name h2   and segi   S1)
     (resi  16 and name h6   and segi   S2)  4.18  0.42  1.68 !    8 -^-  2.24  upr*2.0
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h4'  and segi   S1)  2.78  0.28  0.56 !  263 P--  1.17 
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h2'  and segi   S1)  2.67  0.27  0.53 !  285 P--  1.25 
assi (resi   3 and name h3'  and segi   S1)
     (resi   3 and name h2'  and segi   S1)  2.44  0.24  0.49 !  340 P--  1.06 
assi (resi   3 and name h3'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.69  0.27  0.54 !  342 P--  1.26 
assi (resi   3 and name h6   and segi   S1)
     (resi   3 and name h1'  and segi   S1)  3.38  0.34  0.68 !   27 -^-  1.56 
assi (resi   3 and name h4'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.94  0.29  0.59 !  354 P--  1.32 
assi (resi   3 and name h5   and segi   S1)
     (resi   3 and name h2'  and segi   S1)  3.63  0.36  0.73 !  335 -^-  1.75 
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.32  0.23  0.46 !  284 P--  1.07 
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h5   and segi   S1)  5.00  0.50  1.00 !  240 0v>  5.71 
assi (resi   3 and name h1'  and segi   S1)
     (resi   4 and name h4'  and segi   S1)  4.84  0.48  0.97 !  249 -v-  3.17 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.80  0.28  0.56 !  188 P--  1.17 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h2'  and segi   S1)  2.82  0.28  0.56 !  178 P--  1.09 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h6   and segi   S1)  3.97  0.40  0.79 !    9 -^-  1.57 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h1'  and segi   S1)  3.01  0.30  0.60 !   28 P--  1.15 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h6   and segi   S1)  4.08  0.41  0.82 !    2 -^-  2.04 
assi (resi   4 and name h4'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  3.92  0.39  0.78 !  379 -v-  2.63 
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h3'  and segi   S1)  3.27  0.33  0.65 !   53 -^-  1.58 
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h2'' and segi   S1)  3.18  0.32  0.64 !  181 -^-  2.10 
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h2'  and segi   S1)  2.56  0.26  0.51 !  180 P--  1.04 
assi (resi   4 and name h4'  and segi   S1)
     (resi   4 and name h2'  and segi   S1)  3.06  0.31  1.00 !  360 -^-  1.58  lngr upr, sp df
assi (resi   4 and name h4'  and segi   S1)
     (resi   4 and name h2'' and segi   S1)  3.04  0.30  1.00 !  356 -^-  1.57  lngr upr, sp df
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h1'  and segi   S1)  3.43  0.34  0.69 !   29 -^-  1.98 
assi (resi   4 and name h2   and segi   S1)
     (resi   4 and name h1'  and segi   S1)  4.09  0.41  1.64 !   40 -^-  2.05  upr*2.0
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h4'  and segi   S1)  3.94  0.39  0.79 !   54 -^-  2.22 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h4'  and segi   S1)  2.92  0.29  0.58 !  241 P--  1.19 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h2'' and segi   S1)  2.25  0.23  0.45 !  274 P--  1.03 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h2'  and segi   S1)  2.54  0.25  0.51 !  273 -^-  1.37 
assi (resi   4 and name h3'  and segi   S1)
     (resi   4 and name h2'' and segi   S1)  2.57  0.26  0.51 !  346 P--  1.26 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h3'  and segi   S1)  3.29  0.33  0.66 !  232 -^-  1.58 
assi (resi   5 and name h6   and segi   S1)
     (resi   4 and name h2'' and segi   S1)  2.71  0.27  0.54 !  204 P--  1.13 
assi (resi   4 and name h2   and segi   S1)
     (resi   5 and name h2'  and segi   S1)  4.98  0.50  2.00 !  196 -v-  1.95  upr*2.0
assi (resi   4 and name h2'' and segi   S1)
     (resi   5 and name h5#  and segi   S1)  4.17  0.42  0.83 !  381 0v>  8.62 
assi (resi   4 and name h2'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  3.90  0.39  0.78 !  382 0v>  7.73 
assi (resi   4 and name h8   and segi   S1)
     (resi   5 and name h5#  and segi   S1)  3.72  0.37  0.74 !  211 -^-  1.44 
assi (resi   5 and name h6   and segi   S1)
     (resi   4 and name h1'  and segi   S1)  3.28  0.33  0.66 !   30 -^-  2.23 
assi (resi   4 and name h2   and segi   S1)
     (resi   5 and name h6   and segi   S1)  4.53  0.45  1.82 !   13 0^>  5.02  upr*2.0
assi (resi   4 and name h8   and segi   S1)
     (resi   5 and name h6   and segi   S1)  3.97  0.40  0.79 !    3 -^-  1.97 
assi (resi   4 and name h2   and segi   S1)
     (resi   5 and name h1'  and segi   S1)  3.39  0.34  1.36 !   39 P--  1.40  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hd2  and segi   S2) or
     (resi  14 and name hd1  and segi   S2)) 5.00  0.50  2.00 !  177 0v>  5.85  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hd1  and segi   S2) or
     (resi  14 and name hd2  and segi   S2)) 4.86  0.49  1.94 !   78 0v>  6.49  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hg2  and segi   S2) or
     (resi  14 and name hg1  and segi   S2)) 3.90  0.39  1.56 !   77 0^>  4.76  upr*2.0
assi (resi   4 and name h2   and segi   S1)
     (resi  14 and name hb1  and segi   S2)  3.48  0.35  1.40 !   75 -^-  1.89  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hg1  and segi   S2) or
     (resi  14 and name hg2  and segi   S2)) 4.50  0.45  1.80 !   90 -v-  2.08  upr*2.0
assi (resi   4 and name h2   and segi   S1)
     (resi  14 and name h8   and segi   S2)  3.89  0.39  1.56 !   15 -^l  2.41  upr*2.0
assi (resi   4 and name h2   and segi   S1)
     (resi  14 and name hb2  and segi   S2)  3.26  0.33  1.30 !   80 -^-  1.76  upr*2.0
assi (resi   5 and name h1'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  292 0vl 983.17
assi (resi   5 and name h6   and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.40  0.24  0.48 !  200 P-l  1.06 
assi (resi   5 and name h1'  and segi   S1)
     (resi   5 and name h4'  and segi   S1)  2.63  0.26  0.53 !  260 P--  1.23 
assi (resi   5 and name h6   and segi   S1)
     (resi   5 and name h3'  and segi   S1)  3.23  0.32  0.65 !  236 -^-  1.44 
assi (resi   5 and name h1'  and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.65  0.26  0.53 !  281 P--  1.29 
assi (resi   5 and name h6   and segi   S1)
     (resi   5 and name h1'  and segi   S1)  3.32  0.33  0.66 !   31 -^-  1.51 
assi (resi   5 and name h4'  and segi   S1)
     (resi   5 and name h2'' and segi   S1)  2.59  0.26  1.00 !  363 -^-  1.42  lngr upr sp df
assi (resi   5 and name h5'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  370 0v> 22.20
assi (resi   5 and name h3'  and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.36  0.24  0.47 !  339 P--  1.04 
assi (resi   5 and name h2'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  383 0v> -134.15  
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.71  0.27  0.54 !  183 P--  1.10 
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h6   and segi   S1)  3.80  0.38  0.76 !    4 -^-  1.80 
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  212 0v>  5.64 
assi (resi   5 and name h1'  and segi   S1)
     (resi   6 and name h3'  and segi   S1)  4.03  0.40  0.81 !  267 -^-  2.03 
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h1'  and segi   S1)  3.21  0.32  0.64 !   32 -^-  1.53 
assi (resi   6 and name h8   and segi   S1)
     (resi   6 and name h1'  and segi   S1)  3.22  0.32  0.64 !   33 -^-  1.41 
assi (resi   6 and name h2   and segi   S1)
     (resi   6 and name h1'  and segi   S1)  4.62  0.46  1.84 !   42 0v> 37.79  upr*2.0
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h2'' and segi   S1)  2.22  0.22  0.44 !  278 P--  1.08 
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h2'  and segi   S1)  2.52  0.25  0.50 !  277 P--  1.33 
assi (resi   6 and name h4'  and segi   S1)
     (resi   6 and name h2'' and segi   S1)  2.90  0.29  0.58 !  359 P--  1.35 
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h4'  and segi   S1)  2.72  0.27  0.54 !  243 P--  1.26 
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h3'  and segi   S1)  3.16  0.32  0.63 !  234 -v-  1.60 
assi (resi   6 and name h8   and segi   S1)
     (resi   6 and name h3'  and segi   S1)  3.57  0.36  0.71 !   61 -^-  1.69 
assi (resi   6 and name h1'  and segi   S1)
     (resi   7 and name h4'  and segi   S1)  3.71  0.37  1.00 !  245 -^-  1.66
assi (resi   6 and name h2   and segi   S1)
     (resi   7 and name h1'  and segi   S1)  3.65  0.37  1.46 !   41 -^l  3.78  upr*2.0
assi (resi   7 and name h8   and segi   S1)
     (resi   6 and name h1'  and segi   S1)  2.90  0.29  0.58 !   34 -^-  1.36 
assi (resi   7 and name h4'  and segi   S1)
     (resi   6 and name h2'' and segi   S1)  3.56  0.36  0.71 !  358 -^-  1.76 
assi (resi   6 and name h2   and segi   S1)
    ((resi  12 and name hg2  and segi   S2) or
     (resi  12 and name hg1  and segi   S2)) 3.72  0.37  2.00 !  155 -^-  2.26  upr*2.0
assi (resi   6 and name h2   and segi   S1)
     (resi  12 and name hb1  and segi   S2)  3.48  0.35  1.40 !   98 P--  1.37  upr*2.0
assi (resi   6 and name h2   and segi   S1)
     (resi  12 and name h2   and segi   S2)  3.49  0.35  1.40 !   22 -^-  2.40  dbld upr 
assi (resi   6 and name h2   and segi   S1)
    ((resi  12 and name hg1  and segi   S2) or
     (resi  12 and name hg2  and segi   S2)) 4.25  0.43  2.00 !  146 -v-  2.20  upr*2.0
assi (resi   6 and name h2   and segi   S1)
     (resi  12 and name hb2  and segi   S2)  3.16  0.32  1.26 !  103 P--  1.29  upr*2.0
assi (resi  12 and name h2   and segi   S2)
     (resi   6 and name h1'  and segi   S1)  3.85  0.38  1.44 !   44 0^>  6.23  dbld upr
assi (resi  12 and name h8   and segi   S2)
     (resi   6 and name h2   and segi   S1)  4.43  0.44  1.78 !   10 0v> 13.51  upr*2.0
assi (resi   7 and name h8   and segi   S1)
     (resi   7 and name h3'  and segi   S1)  2.37  0.24  0.47 !   94 P--  1.20 
assi (resi   7 and name h1'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.70  0.27  0.54 !  280 P--  1.38 
assi (resi   7 and name h1'  and segi   S1)
     (resi   7 and name h4'  and segi   S1)  2.97  0.30  0.59 !  248 -^-  1.29 
assi (resi   7 and name h3'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.51  0.25  0.50 !  341 P--  1.08 
assi (resi   7 and name h1'  and segi   S1)
     (resi   7 and name h3'  and segi   S1)  3.79  0.38  0.76 !  266 -^-  1.80 
assi (resi   7 and name h8   and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.48  0.25  0.50 !  201 P--  1.02 
assi (resi   7 and name h4'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  3.44  0.34  0.69 !  353 -v-  1.85 
assi (resi   7 and name h3'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.66  0.27  0.53 !  343 P--  1.23 
assi (resi   7 and name h4'  and segi   S1)
     (resi   7 and name h2'' and segi   S1)  3.00  0.30  0.60 !  355 -^-  1.41 
assi (resi   7 and name h1'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  4.88  0.49  0.98 !  289 0v>  7.40 
assi (resi   8 and name h3'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  3.99  0.40  0.80 !  352 -v-  1.74 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h4'  and segi   S1)  2.86  0.29  0.57 !  255 P--  1.29 
assi (resi   8 and name h6   and segi   S1)
     (resi   8 and name h2'  and segi   S1)  2.42  0.24  0.48 !  198 P-l  1.07 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  2.63  0.26  0.53 !  287 P--  1.36 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h2'' and segi   S1)  2.20  0.22  0.44 !  286 P--  1.07 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h3'  and segi   S1)  3.20  0.32  0.64 !  244 -^-  1.51 
assi (resi   8 and name h4'  and segi   S1)
     (resi   8 and name h2'' and segi   S1)  3.03  0.30  0.61 !  366 -^-  1.42 
assi (resi   8 and name h4'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  3.47  0.35  0.69 !  365 -v-  1.65 
assi (resi   8 and name h3'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  2.51  0.25  0.50 !  350 P--  1.26 
assi (resi   8 and name h6   and segi   S1)
     (resi   8 and name h3'  and segi   S1)  2.83  0.28  0.57 !  114 P--  1.37 
assi (resi   8 and name h3'  and segi   S1)
     (resi   8 and name h2'' and segi   S1)  2.67  0.27  0.53 !  380 P--  1.35 
assi (resi   9 and name h8   and segi   S2)
    ((resi   9 and name hg1  and segi   S2) or
     (resi   9 and name hg2  and segi   S2)) 5.00  0.50  1.00 !  139 0v> 18.17
assi ((resi   9 and name hd2  and segi   S2) or
     (resi   9 and name hd1  and segi   S2))  
    ((resi   9 and name hg1  and segi   S2) or
     (resi   9 and name hg2  and segi   S2)) 1.78  0.18  0.50 !  322 P--  1.65  lngr upr
assi (resi   9 and name hb1  and segi   S2)
    ((resi   9 and name hd2  and segi   S2) or
     (resi   9 and name hd1  and segi   S2)) 2.46  0.25  0.49 !  299 P--  1.13 
assi (resi   9 and name hb1  and segi   S2)
    ((resi   9 and name hg2  and segi   S2) or
     (resi   9 and name hg1  and segi   S2)) 2.34  0.23  0.47 !  298 P-l  1.03 
assi (resi   9 and name hb1  and segi   S2)
    ((resi   9 and name hg1  and segi   S2) or
     (resi   9 and name hg2  and segi   S2)) 2.86  0.29  0.57 !  300 P--  1.35 
assi (resi   9 and name h8   and segi   S2)
     (resi   9 and name hb1  and segi   S2)  3.01  0.30  0.60 !  101 P--  1.26 
assi (resi   9 and name h8   and segi   S2)
     (resi   9 and name hb2  and segi   S2)  3.21  0.32  0.64 !   92 -^-  1.45 
assi (resi   9 and name h8   and segi   S2)
    ((resi   9 and name hg2  and segi   S2) or
     (resi   9 and name hg1  and segi   S2)) 4.70  0.47  0.94 !  131 0^> 104.27 
assi (resi   9 and name h8   and segi   S2)
    ((resi   9 and name hd1  and segi   S2) or
     (resi   9 and name hd2  and segi   S2)) 4.48  0.45  0.90 !  130 0v>  5.09 
assi (resi  10 and name h6   and segi   S2)
    ((resi  10 and name hd2  and segi   S2) or
     (resi  10 and name hd1  and segi   S2)) 3.54  0.35  0.71 !  147 -v-  1.84 
assi (resi  10 and name h6   and segi   S2)
    ((resi  10 and name hd1  and segi   S2) or
     (resi  10 and name hd2  and segi   S2)) 3.22  0.32  0.64 !  151 -^-  1.60 
assi (resi  10 and name h6   and segi   S2)
     (resi  10 and name hb1  and segi   S2)  2.50  0.25  0.50 !  127 P-l  1.22 
assi (resi  10 and name h6   and segi   S2)
     (resi  10 and name hb2  and segi   S2)  2.94  0.29  0.59 !   99 P--  1.36 
assi (resi  10 and name h5   and segi   S2)
    ((resi  10 and name hd1  and segi   S2) or
     (resi  10 and name hd2  and segi   S2)) 4.56  0.46  0.91 !  272 -v-  2.85 
assi (resi  10 and name h6   and segi   S2)
     (resi  11 and name h5#  and segi   S2)  3.79  0.38  0.76 !  222 -^-  1.54 
assi (resi  10 and name h5   and segi   S2)
     (resi  11 and name h5#  and segi   S2)  3.12  0.31  0.62 !  291 P--  1.28 
assi (resi  11 and name h6   and segi   S2)
     (resi  10 and name h5   and segi   S2)  4.66  0.47  0.93 !  104 -v-  2.04 
assi (resi  11 and name h6   and segi   S2)
     (resi  10 and name hb2  and segi   S2)  4.16  0.42  0.83 !  176 P--  1.34 
assi (resi  11 and name h6   and segi   S2)
     (resi  10 and name h6   and segi   S2)  4.32  0.43  0.86 !   21 0v>  6.89 
assi ((resi  11 and name hg2  and segi   S2) or
     (resi  11 and name hg1  and segi   S2))
    ((resi  11 and name hd2  and segi   S2) or
     (resi  11 and name hd1  and segi   S2)) 2.22  0.22  0.44 !  325 P--  1.43 
assi (resi  11 and name h6   and segi   S2)
     (resi  11 and name hb1  and segi   S2)  2.32  0.23  0.46 !  125 P--  1.20 
assi ((resi  11 and name hg1  and segi   S2) or
     (resi  11 and name hg2  and segi   S2))
    ((resi  11 and name hd2  and segi   S2) or
     (resi  11 and name hd1  and segi   S2)) 2.24  0.22  0.45 !  323 P--  1.59 
assi (resi  11 and name h6   and segi   S2)
     (resi  11 and name hb2  and segi   S2)  2.58  0.26  1.00 !   97 P--  1.31
assi (resi  11 and name h6   and segi   S2)
    ((resi  11 and name hg2  and segi   S2) or
     (resi  11 and name hg1  and segi   S2)) 3.08  0.31  0.62 !  153 P--  1.33 
assi (resi  11 and name h6   and segi   S2)
    ((resi  11 and name hd2  and segi   S2) or
     (resi  11 and name hd1  and segi   S2)) 4.31  0.43  0.86 !  145 0v>  6.41 
assi (resi  11 and name h6   and segi   S2)
    ((resi  11 and name hg1  and segi   S2) or
     (resi  11 and name hg2  and segi   S2)) 3.82  0.38  1.52 !  152 -v-  1.94
assi (resi  12 and name h8   and segi   S2)
     (resi  11 and name h5#  and segi   S2)  4.83  0.48  0.97 !  216 -^-  1.47 
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name hb1  and segi   S2)  3.01  0.30  1.20 !  149 P--  1.24  dbld upr
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 4.75  0.48  1.90 !  148 0v>  3.98  dbld upr
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name h5#  and segi   S2)  5.00  0.50  2.00 !  226 -^-  1.80  dbld upr
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hg1  and segi   S2) or
     (resi  13 and name hg2  and segi   S2)) 3.80  0.38  1.52 !  150 -v-  1.82  dbld upr
assi (resi  12 and name h8   and segi   S2)
     (resi  13 and name h5#  and segi   S2)  3.91  0.39  0.78 !  214 P--  1.26 
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name h6   and segi   S2)  4.02  0.40  1.60 !   20 -v-  2.77  dbld upr
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name hb2  and segi   S2)  2.77  0.28  1.10 !  136 P--  1.13  dbld upr
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hd1  and segi   S2) or
     (resi  13 and name hd2  and segi   S2)) 4.11  0.41  2.00 !  133 -v-  2.05  upr*2.00
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hg2  and segi   S2) or
     (resi  13 and name hg1  and segi   S2)) 3.49  0.35  2.00 !  132 -v-  1.72  upr*2.00
assi (resi  13 and name hb2  and segi   S2)
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 2.87  0.29  1.50 !  305 P--  1.33 
assi (resi  13 and name hb1  and segi   S2)
     (resi  13 and name h5#  and segi   S2)  3.86  0.39  1.00 !  378 -^-  1.50
assi (resi  13 and name h6   and segi   S2)
    ((resi  13 and name hd1  and segi   S2) or
     (resi  13 and name hd2  and segi   S2)) 3.99  0.40  0.80 !  174 -v-  1.76 
assi ((resi  13 and name hg2  and segi   S2) or
     (resi  13 and name hg1  and segi   S2))
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 2.17  0.22  0.43 !  324 P-l  1.45 
assi (resi  13 and name h6   and segi   S2)
     (resi  13 and name hb1  and segi   S2)  2.35  0.23  0.47 !  171 P-l  1.03 
assi (resi  13 and name h6   and segi   S2)
     (resi  13 and name hb2  and segi   S2)  2.66  0.27  0.53 !  162 -^-  1.34 
assi (resi  13 and name h6   and segi   S2)
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 4.29  0.43  0.86 !  170 0v>  3.19 
assi (resi  14 and name h8   and segi   S2)
     (resi  13 and name h6   and segi   S2)  3.97  0.40  0.79 !   17 -^-  2.35 
assi (resi  14 and name h8   and segi   S2)
     (resi  14 and name hb1  and segi   S2)  2.58  0.26  0.52 !  108 P--  1.10 
assi (resi  14 and name h8   and segi   S2)
    ((resi  14 and name hd1  and segi   S2) or
     (resi  14 and name hd2  and segi   S2)) 3.63  0.36  1.00 !  113 -v-  1.80
assi (resi  14 and name h8   and segi   S2)
    ((resi  14 and name hg2  and segi   S2) or
     (resi  14 and name hg1  and segi   S2)) 3.49  0.35  1.00 !  112 -^- 
assi (resi  14 and name h8   and segi   S2)
     (resi  14 and name hb2  and segi   S2)  2.93  0.29  0.59 !   93 P--  1.38 
assi (resi  14 and name h8   and segi   S2)
    ((resi  14 and name hd2  and segi   S2) or
     (resi  14 and name hd1  and segi   S2)) 4.48  0.45  0.90 !  141 0v>  4.07 
assi ((resi  14 and name hg2  and segi   S2) or
     (resi  14 and name hg1  and segi   S2))
    ((resi  14 and name hd2  and segi   S2) or
     (resi  14 and name hd1  and segi   S2)) 2.15  0.22  0.43 !  327 P-l  1.70 
assi (resi  14 and name h8   and segi   S2)
     (resi  15 and name h5#  and segi   S2)  3.89  0.39  0.78 !  218 P--  1.46 
assi (resi  14 and name h8   and segi   S2)
     (resi  15 and name h6   and segi   S2)  5.00  0.50  1.00 !   18 0v> 62.44  5.34
assi (resi  15 and name hb1  and segi   S2)
     (resi  15 and name h5#  and segi   S2)  3.99  0.40  1.20 !  377 -^-  1.52
assi (resi  15 and name h6   and segi   S2)
    ((resi  15 and name hd1  and segi   S2) or
     (resi  15 and name hd2  and segi   S2)) 4.33  0.43  0.87 !  164 -v-  2.42 
assi (resi  15 and name h6   and segi   S2)
     (resi  15 and name hb2  and segi   S2)  3.20  0.32  0.64 !  156 P--  1.24 
assi ((resi  15 and name hg2  and segi   S2) or
     (resi  15 and name hg1  and segi   S2))
    ((resi  15 and name hd2  and segi   S2) or
     (resi  15 and name hd1  and segi   S2)) 2.36  0.24  0.47 !  326 P--  1.57 
assi (resi  15 and name h6   and segi   S2)
    ((resi  15 and name hd2  and segi   S2) or
     (resi  15 and name hd1  and segi   S2)) 4.69  0.47  0.94 !  169 0v>  3.18 
assi (resi  15 and name h6   and segi   S2)
     (resi  15 and name hb1  and segi   S2)  2.62  0.26  0.52 !  166 P-l  1.01 
assi (resi  15 and name h6   and segi   S2)
    ((resi  15 and name hg2  and segi   S2) or
     (resi  15 and name hg1  and segi   S2)) 3.08  0.31  0.62 !  165 -^-  1.45
assi (resi  16 and name h5   and segi   S2)
     (resi  15 and name h5#  and segi   S2)  3.55  0.35  0.71 !  290 P--  1.33 
assi (resi  15 and name h6   and segi   S2)
     (resi  16 and name h5   and segi   S2)  5.00  0.50  1.00 !   51 0v> -109.05
assi (resi  16 and name h6   and segi   S2)
     (resi  15 and name h6   and segi   S2)  5.00  0.50  1.00 !   19 0^>  6.94
assi ((resi  16 and name hg2  and segi   S2) or 
     (resi  16 and name hg1  and segi   S2))
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 2.10  0.21  0.42 !  328 P-l  1.73 
assi (resi  16 and name hb2  and segi   S2)
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 2.73  0.27  0.55 !  303 P--  1.28 
assi ((resi  16 and name hg1  and segi   S2) or
     (resi  16 and name hg2  and segi   S2))
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 2.70  0.27  0.54 !  315 -^-  1.39 
assi (resi  16 and name h6   and segi   S2)
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 4.08  0.41  0.82 !  144 -v-  2.96 
assi (resi  16 and name h6   and segi   S2)
    ((resi  16 and name hg1  and segi   S2) or
     (resi  16 and name hg2  and segi   S2)) 3.98  0.40  0.80 !  143 -v-  2.00 


!! H2O-data
 
!! amide-aromatic
 
assign (resid 10 and name  H6  and segid S2 )
       (resid 10 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 10 and name  H6  and segid S2 )
       (resid 11 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 11 and name  H6  and segid S2 )
       (resid 11 and name  HN  and segid S2 )   3.20  0.40 0.70   ! H2O-data
 
assign (resid 11 and name  H6  and segid S2 )
       (resid 12 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 12 and name  H8  and segid S2 )
       (resid 12 and name  HN  and segid S2 )   3.20  0.40 0.70   ! H2O-data
 
assign (resid 12 and name  H2  and segid S2 )
       (resid 13 and name  HN  and segid S2 )   4.50  0.50 1.20   ! H2O-data
 
assign (resid 13 and name  H6  and segid S2 )
       (resid 13 and name  HN  and segid S2 )   3.20  0.40 0.70   ! H2O-data
 
assign (resid 14 and name  H8  and segid S2 )
       (resid 14 and name  HN  and segid S2 )   3.70  0.40 0.80   ! H2O-data
 
assign (resid 15 and name  H6  and segid S2 )
       (resid 15 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 16 and name  H6  and segid S2 )
       (resid 16 and name  HN  and segid S2 )   3.70  0.40 0.80   ! H2O-data
 
!! amide-methylene
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HD1 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HD2 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HD1 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HD2 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data

assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
!! imino restrts...

assign  (resid  7 and name  H1  and segid S1 )
       ((resid 11 and name  HB1 and segid S2 ) or
        (resid 11 and name  HB2 and segid S2 ))  3.00  1.00 2.00   ! H2O-data

assign  (resid 11 and name  H3  and segid S2 )
       ((resid 12 and name  HB1 and segid S2 ) or
        (resid 12 and name  HB2 and segid S2 ))  3.00  1.00 2.00   ! H2O-data

assign  (resid  5 and name  H3  and segid S1 )
        (resid 13 and name  HB1 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid  5 and name  H3  and segid S1 )
        (resid 13 and name  HB2 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 13 and name  H3  and segid S2 )
        (resid 14 and name  HB1 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 13 and name  H3  and segid S2 )
        (resid 14 and name  HB2 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 14 and name  H1  and segid S2 )
        (resid 15 and name  HB2 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 15 and name  H3  and segid S2 )
       ((resid 16 and name  HB1 and segid S2 ) or
        (resid 16 and name  HB2 and segid S2 ))  3.00  1.00 2.00   ! H2O-data




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