NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
6548 1j7o cing 1-original 1 XPLOR/CNS dipolar coupling


!Dipolar couplings measured in ~18mg/ml Pf1 at 10mM KCl, pH 7.0
!No buffer was used. The quadrapolar splitting of the liquid crystal
!is 18.3 Hz
! NH Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name    N and segid AN1)
       ( resid     4 and name   HN and segid AN1) -8.3420  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    N and segid AN1)
       ( resid     5 and name   HN and segid AN1) -1.9190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    N and segid AN1)
       ( resid     6 and name   HN and segid AN1) 14.7200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     7 and name    N and segid AN1)
       ( resid     7 and name   HN and segid AN1) 11.1630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    N and segid AN1)
       ( resid     8 and name   HN and segid AN1) 14.6630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    N and segid AN1)
       ( resid     9 and name   HN and segid AN1) 18.5660  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    N and segid AN1)
       ( resid    10 and name   HN and segid AN1) 15.2060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    N and segid AN1)
       ( resid    11 and name   HN and segid AN1) 14.3640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    N and segid AN1)
       ( resid    12 and name   HN and segid AN1) 20.1750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name    N and segid AN1)
       ( resid    13 and name   HN and segid AN1) 13.7480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    N and segid AN1)
       ( resid    14 and name   HN and segid AN1)  6.5490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    N and segid AN1)
       ( resid    15 and name   HN and segid AN1) 17.2930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    N and segid AN1)
       ( resid    16 and name   HN and segid AN1) 18.2210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    N and segid AN1)
       ( resid    17 and name   HN and segid AN1)  9.5650  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    N and segid AN1)
       ( resid    18 and name   HN and segid AN1) 10.1480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    N and segid AN1)
       ( resid    19 and name   HN and segid AN1) 19.6000  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    N and segid AN1)
       ( resid    20 and name   HN and segid AN1)  8.3270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    N and segid AN1)
       ( resid    21 and name   HN and segid AN1) -7.6820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    N and segid AN1)
       ( resid    22 and name   HN and segid AN1) -1.2640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    23 and name    N and segid AN1)
       ( resid    23 and name   HN and segid AN1) -18.5060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    N and segid AN1)
       ( resid    24 and name   HN and segid AN1) -1.1270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name    N and segid AN1)
       ( resid    25 and name   HN and segid AN1)  0.0530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    N and segid AN1)
       ( resid    26 and name   HN and segid AN1) 15.5030  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name    N and segid AN1)
       ( resid    27 and name   HN and segid AN1) 17.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    N and segid AN1)
       ( resid    28 and name   HN and segid AN1)  5.9240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name    N and segid AN1)
       ( resid    29 and name   HN and segid AN1) -8.7610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    N and segid AN1)
       ( resid    31 and name   HN and segid AN1) -3.6940  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    N and segid AN1)
       ( resid    32 and name   HN and segid AN1) -9.6310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name    N and segid AN1)
       ( resid    33 and name   HN and segid AN1) -13.9480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    N and segid AN1)
       ( resid    34 and name   HN and segid AN1) -12.2980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    N and segid AN1)
       ( resid    35 and name   HN and segid AN1) -6.8760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    N and segid AN1)
       ( resid    36 and name   HN and segid AN1) -10.8950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    N and segid AN1)
       ( resid    37 and name   HN and segid AN1) -17.6970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    38 and name    N and segid AN1)
       ( resid    38 and name   HN and segid AN1) -7.3340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    41 and name    N and segid AN1)
       ( resid    41 and name   HN and segid AN1) -10.9010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    N and segid AN1)
       ( resid    44 and name   HN and segid AN1)  2.9320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    N and segid AN1)
       ( resid    45 and name   HN and segid AN1) 16.2800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    N and segid AN1)
       ( resid    46 and name   HN and segid AN1) 11.3100  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    N and segid AN1)
       ( resid    47 and name   HN and segid AN1) 18.5160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name    N and segid AN1)
       ( resid    48 and name   HN and segid AN1) 21.0200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    N and segid AN1)
       ( resid    49 and name   HN and segid AN1) 13.7660  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name    N and segid AN1)
       ( resid    50 and name   HN and segid AN1) 12.2270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    N and segid AN1)
       ( resid    51 and name   HN and segid AN1) 19.4250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    N and segid AN1)
       ( resid    52 and name   HN and segid AN1) 18.6360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name    N and segid AN1)
       ( resid    53 and name   HN and segid AN1) 14.5340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    N and segid AN1)
       ( resid    54 and name   HN and segid AN1) 14.1000  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    N and segid AN1)
       ( resid    55 and name   HN and segid AN1) 21.4370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    N and segid AN1)
       ( resid    56 and name   HN and segid AN1)  1.7330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    N and segid AN1)
       ( resid    57 and name   HN and segid AN1) -5.0470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    N and segid AN1)
       ( resid    58 and name   HN and segid AN1)  6.0630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name    N and segid AN1)
       ( resid    59 and name   HN and segid AN1) -14.1860  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    N and segid AN1)
       ( resid    60 and name   HN and segid AN1)  2.9730  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name    N and segid AN1)
       ( resid    61 and name   HN and segid AN1)  9.9850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    N and segid AN1)
       ( resid    62 and name   HN and segid AN1) 12.3960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    N and segid AN1)
       ( resid    63 and name   HN and segid AN1) 17.8180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    N and segid AN1)
       ( resid    64 and name   HN and segid AN1)  5.9380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    65 and name    N and segid AN1)
       ( resid    65 and name   HN and segid AN1) -14.9820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    N and segid AN1)
       ( resid    67 and name   HN and segid AN1) -9.6140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    N and segid AN1)
       ( resid    68 and name   HN and segid AN1) -16.2530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    N and segid AN1)
       ( resid    69 and name   HN and segid AN1) -21.1440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    N and segid AN1)
       ( resid    70 and name   HN and segid AN1) -16.9480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    N and segid AN1)
       ( resid    71 and name   HN and segid AN1) -17.2570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    N and segid AN1)
       ( resid    72 and name   HN and segid AN1) -18.7580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    N and segid AN1)
       ( resid    73 and name   HN and segid AN1) -17.4170  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    N and segid AN1)
       ( resid    74 and name   HN and segid AN1) -10.9470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name    N and segid AN1)
       ( resid    75 and name   HN and segid AN1) -10.6910  1.0000  1.0000
!
! CAHA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     2 and name   CA and segid AN1)
       ( resid     2 and name   HA and segid AN1)  4.7690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name   CA and segid AN1)
       ( resid     3 and name   HA and segid AN1) -8.4360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name   CA and segid AN1)
       ( resid     4 and name   HA and segid AN1) -24.8020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name   CA and segid AN1)
       ( resid     5 and name   HA and segid AN1) 32.0150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name   CA and segid AN1)
       ( resid     6 and name   HA and segid AN1) -14.8120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CA and segid AN1)
       ( resid     9 and name   HA and segid AN1) -8.1430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name   CA and segid AN1)
       ( resid    10 and name   HA and segid AN1) -28.0020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name   CA and segid AN1)
       ( resid    11 and name   HA and segid AN1) 22.7090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name   CA and segid AN1)
       ( resid    12 and name   HA and segid AN1) 16.3860  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name   CA and segid AN1)
       ( resid    13 and name   HA and segid AN1) -9.9750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name   CA and segid AN1)
       ( resid    14 and name   HA and segid AN1) -20.3140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name   CA and segid AN1)
       ( resid    15 and name   HA and segid AN1) 34.1150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name   CA and segid AN1)
       ( resid    16 and name   HA and segid AN1) -10.4310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name   CA and segid AN1)
       ( resid    17 and name   HA and segid AN1) -25.0550  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name   CA and segid AN1)
       ( resid    19 and name   HA and segid AN1) 24.5880  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name   CA and segid AN1)
       ( resid    21 and name   HA and segid AN1) -11.9410  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name   CA and segid AN1)
       ( resid    22 and name   HA and segid AN1) 25.9470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name   CA and segid AN1)
       ( resid    24 and name   HA and segid AN1) -14.0510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name   CA and segid AN1)
       ( resid    25 and name   HA# and segid AN1) -19.9230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name   CA and segid AN1)
       ( resid    26 and name   HA and segid AN1) 42.2150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name   CA and segid AN1)
       ( resid    27 and name   HA and segid AN1) 16.9570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name   CA and segid AN1)
       ( resid    28 and name   HA and segid AN1) 15.3690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name   CA and segid AN1)
       ( resid    30 and name   HA and segid AN1) -5.7370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name   CA and segid AN1)
       ( resid    31 and name   HA and segid AN1) 29.1090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name   CA and segid AN1)
       ( resid    32 and name   HA and segid AN1)  3.7010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name   CA and segid AN1)
       ( resid    33 and name   HA# and segid AN1) -13.0090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name   CA and segid AN1)
       ( resid    34 and name   HA and segid AN1) 38.8620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name   CA and segid AN1)
       ( resid    35 and name   HA and segid AN1) -7.9740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name   CA and segid AN1)
       ( resid    36 and name   HA and segid AN1)  8.1220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    39 and name   CA and segid AN1)
       ( resid    39 and name   HA and segid AN1) -15.5370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    40 and name   CA and segid AN1)
       ( resid    40 and name   HA# and segid AN1) 18.8490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    43 and name   CA and segid AN1)
       ( resid    43 and name   HA and segid AN1) -15.3400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name   CA and segid AN1)
       ( resid    44 and name   HA and segid AN1) 36.9680  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name   CA and segid AN1)
       ( resid    45 and name   HA and segid AN1) -11.5560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name   CA and segid AN1)
       ( resid    46 and name   HA and segid AN1) -26.2070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name   CA and segid AN1)
       ( resid    47 and name   HA and segid AN1) 20.6810  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name   CA and segid AN1)
       ( resid    48 and name   HA and segid AN1) -2.3790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name   CA and segid AN1)
       ( resid    49 and name   HA and segid AN1) -22.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name   CA and segid AN1)
       ( resid    50 and name   HA and segid AN1) -2.6130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name   CA and segid AN1)
       ( resid    51 and name   HA and segid AN1)  5.6130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CA and segid AN1)
       ( resid    52 and name   HA and segid AN1) -0.0610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name   CA and segid AN1)
       ( resid    53 and name   HA and segid AN1) -27.6740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name   CA and segid AN1)
       ( resid    54 and name   HA and segid AN1) -0.5740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name   CA and segid AN1)
       ( resid    55 and name   HA and segid AN1) 33.9220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name   CA and segid AN1)
       ( resid    56 and name   HA and segid AN1)  2.6620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name   CA and segid AN1)
       ( resid    57 and name   HA and segid AN1) -12.3750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name   CA and segid AN1)
       ( resid    58 and name   HA and segid AN1) 40.9050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name   CA and segid AN1)
       ( resid    59 and name   HA# and segid AN1) -30.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name   CA and segid AN1)
       ( resid    60 and name   HA and segid AN1) -24.0180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name   CA and segid AN1)
       ( resid    61 and name   HA# and segid AN1) -11.2060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name   CA and segid AN1)
       ( resid    62 and name   HA and segid AN1) -3.8220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name   CA and segid AN1)
       ( resid    63 and name   HA and segid AN1) 38.5530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name   CA and segid AN1)
       ( resid    64 and name   HA and segid AN1) 36.9580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name   CA and segid AN1)
       ( resid    66 and name   HA and segid AN1) -4.4380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name   CA and segid AN1)
       ( resid    67 and name   HA and segid AN1) 21.1010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name   CA and segid AN1)
       ( resid    68 and name   HA and segid AN1) -7.0480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name   CA and segid AN1)
       ( resid    69 and name   HA and segid AN1) -10.9070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name   CA and segid AN1)
       ( resid    70 and name   HA and segid AN1) 27.7890  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name   CA and segid AN1)
       ( resid    71 and name   HA and segid AN1) -10.6340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name   CA and segid AN1)
       ( resid    72 and name   HA and segid AN1)  5.5230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name   CA and segid AN1)
       ( resid    73 and name   HA and segid AN1) -13.4850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name   CA and segid AN1)
       ( resid    74 and name   HA and segid AN1) 30.1680  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name   CA and segid AN1)
       ( resid    75 and name   HA and segid AN1) -14.0050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    76 and name   CA and segid AN1)
       ( resid    76 and name   HA and segid AN1)  9.9870  1.0000  1.0000
!
! COCA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name    C and segid AN1)
       ( resid     3 and name   CA and segid AN1)  1.3550  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name    C and segid AN1)
       ( resid     4 and name   CA and segid AN1) -0.6330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    C and segid AN1)
       ( resid     5 and name   CA and segid AN1) -0.2340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    C and segid AN1)
       ( resid     6 and name   CA and segid AN1)  2.7970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     7 and name    C and segid AN1)
       ( resid     7 and name   CA and segid AN1) -0.2440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    C and segid AN1)
       ( resid     8 and name   CA and segid AN1) -1.5140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    C and segid AN1)
       ( resid     9 and name   CA and segid AN1)  1.9570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    C and segid AN1)
       ( resid    10 and name   CA and segid AN1)  2.4080  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    C and segid AN1)
       ( resid    11 and name   CA and segid AN1)  0.4160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    C and segid AN1)
       ( resid    12 and name   CA and segid AN1) -2.1430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name    C and segid AN1)
       ( resid    13 and name   CA and segid AN1)  3.7010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    C and segid AN1)
       ( resid    14 and name   CA and segid AN1)  0.9390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    C and segid AN1)
       ( resid    15 and name   CA and segid AN1) -1.5800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    C and segid AN1)
       ( resid    16 and name   CA and segid AN1)  1.0700  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    C and segid AN1)
       ( resid    17 and name   CA and segid AN1)  3.2620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    C and segid AN1)
       ( resid    18 and name   CA and segid AN1)  0.1970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    C and segid AN1)
       ( resid    19 and name   CA and segid AN1) -3.0020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    C and segid AN1)
       ( resid    20 and name   CA and segid AN1)  1.7830  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    C and segid AN1)
       ( resid    21 and name   CA and segid AN1) -3.5330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    C and segid AN1)
       ( resid    22 and name   CA and segid AN1)  1.9430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    23 and name    C and segid AN1)
       ( resid    23 and name   CA and segid AN1) -0.6070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    C and segid AN1)
       ( resid    24 and name   CA and segid AN1)  3.3090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name    C and segid AN1)
       ( resid    25 and name   CA and segid AN1) -1.6170  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    C and segid AN1)
       ( resid    26 and name   CA and segid AN1)  0.8400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name    C and segid AN1)
       ( resid    27 and name   CA and segid AN1) -0.5120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    C and segid AN1)
       ( resid    28 and name   CA and segid AN1) -2.3690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name    C and segid AN1)
       ( resid    29 and name   CA and segid AN1)  2.7150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name    C and segid AN1)
       ( resid    30 and name   CA and segid AN1) -1.1110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    C and segid AN1)
       ( resid    31 and name   CA and segid AN1) -2.5980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    C and segid AN1)
       ( resid    32 and name   CA and segid AN1)  0.6230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name    C and segid AN1)
       ( resid    33 and name   CA and segid AN1) -0.0470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    C and segid AN1)
       ( resid    34 and name   CA and segid AN1) -0.4240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    C and segid AN1)
       ( resid    35 and name   CA and segid AN1) -3.2210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    C and segid AN1)
       ( resid    36 and name   CA and segid AN1)  2.2930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    C and segid AN1)
       ( resid    37 and name   CA and segid AN1) -0.6820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    38 and name    C and segid AN1)
       ( resid    38 and name   CA and segid AN1) -1.5330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    39 and name    C and segid AN1)
       ( resid    39 and name   CA and segid AN1) -1.9590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    40 and name    C and segid AN1)
       ( resid    40 and name   CA and segid AN1) -0.5160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    43 and name    C and segid AN1)
       ( resid    43 and name   CA and segid AN1)  0.0210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    C and segid AN1)
       ( resid    44 and name   CA and segid AN1) -1.5140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    C and segid AN1)
       ( resid    45 and name   CA and segid AN1)  3.0210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    C and segid AN1)
       ( resid    46 and name   CA and segid AN1)  1.5760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    C and segid AN1)
       ( resid    47 and name   CA and segid AN1) -1.1480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name    C and segid AN1)
       ( resid    48 and name   CA and segid AN1) -0.0270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    C and segid AN1)
       ( resid    49 and name   CA and segid AN1)  2.7400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name    C and segid AN1)
       ( resid    50 and name   CA and segid AN1) -0.0020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    C and segid AN1)
       ( resid    51 and name   CA and segid AN1) -1.8710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    C and segid AN1)
       ( resid    52 and name   CA and segid AN1)  1.8180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name    C and segid AN1)
       ( resid    53 and name   CA and segid AN1)  2.6930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    C and segid AN1)
       ( resid    54 and name   CA and segid AN1)  0.1090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    C and segid AN1)
       ( resid    55 and name   CA and segid AN1) -3.7320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    C and segid AN1)
       ( resid    56 and name   CA and segid AN1)  2.0310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    C and segid AN1)
       ( resid    57 and name   CA and segid AN1) -3.3090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    C and segid AN1)
       ( resid    58 and name   CA and segid AN1)  1.5920  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name    C and segid AN1)
       ( resid    59 and name   CA and segid AN1)  1.3670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    C and segid AN1)
       ( resid    60 and name   CA and segid AN1)  2.1290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name    C and segid AN1)
       ( resid    61 and name   CA and segid AN1) -0.7340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    C and segid AN1)
       ( resid    62 and name   CA and segid AN1)  2.5040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    C and segid AN1)
       ( resid    63 and name   CA and segid AN1) -1.1720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    C and segid AN1)
       ( resid    64 and name   CA and segid AN1) -0.7640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name    C and segid AN1)
       ( resid    66 and name   CA and segid AN1) -1.9140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    C and segid AN1)
       ( resid    67 and name   CA and segid AN1) -1.9180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    C and segid AN1)
       ( resid    68 and name   CA and segid AN1)  0.6620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    C and segid AN1)
       ( resid    69 and name   CA and segid AN1) -1.3790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    C and segid AN1)
       ( resid    70 and name   CA and segid AN1) -0.2460  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    C and segid AN1)
       ( resid    71 and name   CA and segid AN1) -2.6110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    C and segid AN1)
       ( resid    72 and name   CA and segid AN1)  1.2990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    C and segid AN1)
       ( resid    73 and name   CA and segid AN1) -2.6000  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    C and segid AN1)
       ( resid    74 and name   CA and segid AN1) -0.5200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name    C and segid AN1)
       ( resid    75 and name   CA and segid AN1) -1.7580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    76 and name    C and segid AN1)
       ( resid    76 and name   CA and segid AN1) -0.6780  1.0000  1.0000
!
! NC' Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name    C and segid AN1)
       ( resid     4 and name    N and segid AN1)  0.2360  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    C and segid AN1)
       ( resid     6 and name    N and segid AN1) -0.5060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    C and segid AN1)
       ( resid     7 and name    N and segid AN1) -1.8040  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    C and segid AN1)
       ( resid     9 and name    N and segid AN1) -0.4860  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    C and segid AN1)
       ( resid    10 and name    N and segid AN1) -0.3980  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    C and segid AN1)
       ( resid    11 and name    N and segid AN1) -2.1880  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    C and segid AN1)
       ( resid    12 and name    N and segid AN1)  0.3320  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    C and segid AN1)
       ( resid    13 and name    N and segid AN1) -0.4200  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    C and segid AN1)
       ( resid    15 and name    N and segid AN1) -0.8360  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    C and segid AN1)
       ( resid    16 and name    N and segid AN1)  0.2860  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    C and segid AN1)
       ( resid    17 and name    N and segid AN1) -0.6340  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    C and segid AN1)
       ( resid    18 and name    N and segid AN1) -2.1640  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    C and segid AN1)
       ( resid    19 and name    N and segid AN1)  0.5280  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    C and segid AN1)
       ( resid    20 and name    N and segid AN1) -0.1440  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    C and segid AN1)
       ( resid    21 and name    N and segid AN1)  2.1860  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    C and segid AN1)
       ( resid    22 and name    N and segid AN1) -0.7820  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    C and segid AN1)
       ( resid    23 and name    N and segid AN1)  1.2340  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    C and segid AN1)
       ( resid    25 and name    N and segid AN1) -1.4000  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name    C and segid AN1)
       ( resid    26 and name    N and segid AN1)  1.4480  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    C and segid AN1)
       ( resid    27 and name    N and segid AN1) -1.8220  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name    C and segid AN1)
       ( resid    28 and name    N and segid AN1)  2.2060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    C and segid AN1)
       ( resid    29 and name    N and segid AN1)  0.1040  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name    C and segid AN1)
       ( resid    31 and name    N and segid AN1)  1.2260  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    C and segid AN1)
       ( resid    32 and name    N and segid AN1)  0.4140  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    C and segid AN1)
       ( resid    33 and name    N and segid AN1)  1.5340  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name    C and segid AN1)
       ( resid    34 and name    N and segid AN1) -1.4040  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    C and segid AN1)
       ( resid    35 and name    N and segid AN1)  2.2060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    C and segid AN1)
       ( resid    36 and name    N and segid AN1)  0.1740  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    C and segid AN1)
       ( resid    37 and name    N and segid AN1)  0.9380  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    C and segid AN1)
       ( resid    38 and name    N and segid AN1) -0.3880  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    40 and name    C and segid AN1)
       ( resid    41 and name    N and segid AN1) -0.6640  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    C and segid AN1)
       ( resid    45 and name    N and segid AN1) -0.1700  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    C and segid AN1)
       ( resid    46 and name    N and segid AN1) -1.1560  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    C and segid AN1)
       ( resid    47 and name    N and segid AN1) -1.0520  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    C and segid AN1)
       ( resid    48 and name    N and segid AN1) -0.0660  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name    C and segid AN1)
       ( resid    49 and name    N and segid AN1) -0.1640  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    C and segid AN1)
       ( resid    50 and name    N and segid AN1) -1.9580  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name    C and segid AN1)
       ( resid    51 and name    N and segid AN1)  0.1520  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    C and segid AN1)
       ( resid    52 and name    N and segid AN1) -0.7200  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    C and segid AN1)
       ( resid    53 and name    N and segid AN1) -0.5760  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    C and segid AN1)
       ( resid    55 and name    N and segid AN1) -1.1940  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    C and segid AN1)
       ( resid    56 and name    N and segid AN1) -0.0300  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    C and segid AN1)
       ( resid    57 and name    N and segid AN1)  1.6460  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    C and segid AN1)
       ( resid    58 and name    N and segid AN1) -0.2260  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    C and segid AN1)
       ( resid    59 and name    N and segid AN1) -0.1580  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name    C and segid AN1)
       ( resid    60 and name    N and segid AN1) -0.5760  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    C and segid AN1)
       ( resid    61 and name    N and segid AN1) -2.2420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name    C and segid AN1)
       ( resid    62 and name    N and segid AN1)  0.5320  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    C and segid AN1)
       ( resid    63 and name    N and segid AN1) -0.7440  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    C and segid AN1)
       ( resid    64 and name    N and segid AN1)  2.1460  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    C and segid AN1)
       ( resid    65 and name    N and segid AN1)  0.1660  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name    C and segid AN1)
       ( resid    67 and name    N and segid AN1)  1.4100  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    C and segid AN1)
       ( resid    68 and name    N and segid AN1)  0.6980  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    C and segid AN1)
       ( resid    69 and name    N and segid AN1)  1.3380  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    C and segid AN1)
       ( resid    70 and name    N and segid AN1) -0.4060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    C and segid AN1)
       ( resid    71 and name    N and segid AN1)  2.1820  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    C and segid AN1)
       ( resid    72 and name    N and segid AN1) -0.2100  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    C and segid AN1)
       ( resid    73 and name    N and segid AN1)  1.8080  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    C and segid AN1)
       ( resid    74 and name    N and segid AN1)  0.3120  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    C and segid AN1)
       ( resid    75 and name    N and segid AN1)  0.9720  0.1200  0.1200
!
! COHA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name    C and segid AN1)
       ( resid     3 and name   HA and segid AN1) -0.2500  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name    C and segid AN1)
       ( resid     4 and name   HA and segid AN1) -1.0820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    C and segid AN1)
       ( resid     5 and name   HA and segid AN1)  3.8900  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    C and segid AN1)
       ( resid     6 and name   HA and segid AN1) -1.0840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    C and segid AN1)
       ( resid     8 and name   HA and segid AN1) -3.9820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    C and segid AN1)
       ( resid     9 and name   HA and segid AN1) -0.4800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    C and segid AN1)
       ( resid    10 and name   HA and segid AN1) -2.2770  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    C and segid AN1)
       ( resid    11 and name   HA and segid AN1) -1.1620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    C and segid AN1)
       ( resid    12 and name   HA and segid AN1) -4.3530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name    C and segid AN1)
       ( resid    13 and name   HA and segid AN1)  1.0530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    C and segid AN1)
       ( resid    14 and name   HA and segid AN1) -2.4300  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    C and segid AN1)
       ( resid    15 and name   HA and segid AN1) -2.6980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    C and segid AN1)
       ( resid    16 and name   HA and segid AN1) -1.3110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    C and segid AN1)
       ( resid    17 and name   HA and segid AN1) -0.8010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    C and segid AN1)
       ( resid    18 and name   HA and segid AN1) -1.1310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    C and segid AN1)
       ( resid    19 and name   HA and segid AN1) -4.8180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    C and segid AN1)
       ( resid    20 and name   HA and segid AN1) -0.3530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    C and segid AN1)
       ( resid    21 and name   HA and segid AN1) -4.5840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    C and segid AN1)
       ( resid    22 and name   HA and segid AN1)  4.9760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    C and segid AN1)
       ( resid    24 and name   HA and segid AN1) -0.5710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    C and segid AN1)
       ( resid    26 and name   HA and segid AN1)  4.1760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    C and segid AN1)
       ( resid    28 and name   HA and segid AN1) -1.5350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name    C and segid AN1)
       ( resid    29 and name   HA and segid AN1)  4.3380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name    C and segid AN1)
       ( resid    30 and name   HA and segid AN1)  0.1440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    C and segid AN1)
       ( resid    31 and name   HA and segid AN1)  1.1850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    C and segid AN1)
       ( resid    32 and name   HA and segid AN1)  2.0080  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    C and segid AN1)
       ( resid    34 and name   HA and segid AN1)  3.3870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    C and segid AN1)
       ( resid    35 and name   HA and segid AN1) -2.3380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    C and segid AN1)
       ( resid    36 and name   HA and segid AN1)  5.6720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    C and segid AN1)
       ( resid    37 and name   HA and segid AN1) -1.5840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    38 and name    C and segid AN1)
       ( resid    38 and name   HA and segid AN1)  4.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    39 and name    C and segid AN1)
       ( resid    39 and name   HA and segid AN1) -0.9850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    C and segid AN1)
       ( resid    44 and name   HA and segid AN1)  2.5240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    C and segid AN1)
       ( resid    45 and name   HA and segid AN1)  0.1560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    C and segid AN1)
       ( resid    46 and name   HA and segid AN1) -2.6950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    C and segid AN1)
       ( resid    47 and name   HA and segid AN1) -1.7670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    C and segid AN1)
       ( resid    49 and name   HA and segid AN1) -0.3400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    C and segid AN1)
       ( resid    51 and name   HA and segid AN1) -4.0430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    C and segid AN1)
       ( resid    52 and name   HA and segid AN1) -0.8240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name    C and segid AN1)
       ( resid    53 and name   HA and segid AN1) -2.0390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    C and segid AN1)
       ( resid    54 and name   HA and segid AN1) -1.5880  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    C and segid AN1)
       ( resid    55 and name   HA and segid AN1) -2.2200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    C and segid AN1)
       ( resid    56 and name   HA and segid AN1)  0.6700  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    C and segid AN1)
       ( resid    57 and name   HA and segid AN1) -4.6640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    C and segid AN1)
       ( resid    58 and name   HA and segid AN1)  5.0150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    C and segid AN1)
       ( resid    60 and name   HA and segid AN1) -1.4450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    C and segid AN1)
       ( resid    62 and name   HA and segid AN1)  4.4180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    C and segid AN1)
       ( resid    63 and name   HA and segid AN1)  0.2140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    C and segid AN1)
       ( resid    64 and name   HA and segid AN1)  1.2970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name    C and segid AN1)
       ( resid    66 and name   HA and segid AN1)  0.0630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    C and segid AN1)
       ( resid    67 and name   HA and segid AN1)  1.7230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    C and segid AN1)
       ( resid    68 and name   HA and segid AN1)  2.6890  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    C and segid AN1)
       ( resid    69 and name   HA and segid AN1)  0.4400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    C and segid AN1)
       ( resid    70 and name   HA and segid AN1)  3.7720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    C and segid AN1)
       ( resid    71 and name   HA and segid AN1) -1.9670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    C and segid AN1)
       ( resid    72 and name   HA and segid AN1)  5.5050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    C and segid AN1)
       ( resid    73 and name   HA and segid AN1) -1.1620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    C and segid AN1)
       ( resid    74 and name   HA and segid AN1)  3.5180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name    C and segid AN1)
       ( resid    75 and name   HA and segid AN1)  1.0200  1.0000  1.0000
!
! CBHB Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CB and segid AN1)
       ( resid     9 and name   HB and segid AN1) -0.7220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name   CB and segid AN1)
       ( resid    11 and name  HB# and segid AN1) 36.9220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name   CB and segid AN1)
       ( resid    12 and name  HB# and segid AN1) 11.8400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name   CB and segid AN1)
       ( resid    14 and name  HB# and segid AN1)  9.1770  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name   CB and segid AN1)
       ( resid    16 and name  HB# and segid AN1) -3.4910  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name   CB and segid AN1)
       ( resid    18 and name  HB# and segid AN1)  39.484  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name   CB and segid AN1)
       ( resid    19 and name  HB# and segid AN1) 18.4120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name   CB and segid AN1)
       ( resid    26 and name   HB and segid AN1) -6.9640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name   CB and segid AN1)
       ( resid    28 and name   HB and segid AN1)  2.3510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name   CB and segid AN1)
       ( resid    31 and name  HB# and segid AN1)  9.957  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name   CB and segid AN1)
       ( resid    34 and name   HB and segid AN1) 21.893  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name   CB and segid AN1)
       ( resid    35 and name   HB and segid AN1) -3.4990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name   CB and segid AN1)
       ( resid    36 and name  HB# and segid AN1) -28.9790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name   CB and segid AN1)
       ( resid    45 and name  HB# and segid AN1) -0.508  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name   CB and segid AN1)
       ( resid    47 and name  HB# and segid AN1) 36.9790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name   CB and segid AN1)
       ( resid    49 and name  HB# and segid AN1)  3.1360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name   CB and segid AN1)
       ( resid    51 and name  HB# and segid AN1)  7.4780  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CB and segid AN1)
       ( resid    52 and name   HB and segid AN1)  9.898  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name   CB and segid AN1)
       ( resid    60 and name  HB# and segid AN1)  24.813  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name   CB and segid AN1)
       ( resid    62 and name   HB and segid AN1) -14.8510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name   CB and segid AN1)
       ( resid    64 and name  HB# and segid AN1) -12.0690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name   CB and segid AN1)
       ( resid    67 and name  HB# and segid AN1) 14.751  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name   CB and segid AN1)
       ( resid    68 and name  HB# and segid AN1)  8.6540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name   CB and segid AN1)
       ( resid    71 and name  HB# and segid AN1) -20.392  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name   CB and segid AN1)
       ( resid    74 and name  HB# and segid AN1)  5.4550  1.0000  1.0000

!Derived from Methyl CH3 Dipolar Couplings. Use the lower limit
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CB and segid AN1)
       ( resid     9 and name  CG2 and segid AN1) -2.117  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CB and segid AN1)
       ( resid     9 and name  CD1 and segid AN1)  1.800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name   CB and segid AN1)
       ( resid    26 and name  CG2 and segid AN1)  1.008  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name   CB and segid AN1)
       ( resid    29 and name  CG2 and segid AN1)  0.105  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name   CB and segid AN1)
       ( resid    35 and name  CG1 and segid AN1)  0.438  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CB and segid AN1)
       ( resid    52 and name  CG2 and segid AN1) -0.820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CB and segid AN1)
       ( resid    52 and name  CD1 and segid AN1) -0.356  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name   CB and segid AN1)
       ( resid    62 and name  CG2 and segid AN1)  1.555  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name   CB and segid AN1)
       ( resid    63 and name  CG2 and segid AN1)  0.533  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name   CB and segid AN1)
       ( resid    63 and name  CD1 and segid AN1) -0.444  1.0000  1.0000



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