NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
6554 1j7p cing 1-original 1 XPLOR/CNS dipolar coupling


!Dipolar couplings measured in ~16mg/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    83 and name    N and segid AN1)
       ( resid    83 and name   HN and segid AN1) -8.1130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name    N and segid AN1)
       ( resid    84 and name   HN and segid AN1)  8.6150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    N and segid AN1)
       ( resid    85 and name   HN and segid AN1)  5.9600  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    N and segid AN1)
       ( resid    86 and name   HN and segid AN1) -5.8350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name    N and segid AN1)
       ( resid    87 and name   HN and segid AN1) -2.1700  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name    N and segid AN1)
       ( resid    88 and name   HN and segid AN1)  9.5260  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    N and segid AN1)
       ( resid    89 and name   HN and segid AN1)  1.9210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    N and segid AN1)
       ( resid    90 and name   HN and segid AN1) -10.0400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name    N and segid AN1)
       ( resid    91 and name   HN and segid AN1)  8.6830  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    N and segid AN1)
       ( resid    92 and name   HN and segid AN1) 14.0250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    93 and name    N and segid AN1)
       ( resid    93 and name   HN and segid AN1) -9.4440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name    N and segid AN1)
       ( resid    94 and name   HN and segid AN1) -0.1860  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    95 and name    N and segid AN1)
       ( resid    95 and name   HN and segid AN1)  6.8960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name    N and segid AN1)
       ( resid    96 and name   HN and segid AN1)  0.8570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    N and segid AN1)
       ( resid    97 and name   HN and segid AN1)  0.5240  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    98 and name    N and segid AN1)
       ( resid    98 and name   HN and segid AN1) -2.3040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name    N and segid AN1)
       ( resid    99 and name   HN and segid AN1) 20.5230  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   100 and name    N and segid AN1)
       ( resid   100 and name   HN and segid AN1) 19.9710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name    N and segid AN1)
       ( resid   101 and name   HN and segid AN1)  7.6810  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   102 and name    N and segid AN1)
       ( resid   102 and name   HN and segid AN1) -12.9570  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   103 and name    N and segid AN1)
       ( resid   103 and name   HN and segid AN1) -9.7430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name    N and segid AN1)
       ( resid   104 and name   HN and segid AN1) -2.0520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name    N and segid AN1)
       ( resid   105 and name   HN and segid AN1) -12.7760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name    N and segid AN1)
       ( resid   106 and name   HN and segid AN1) -11.6540  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   107 and name    N and segid AN1)
       ( resid   107 and name   HN and segid AN1) -2.1050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name    N and segid AN1)
       ( resid   108 and name   HN and segid AN1) -5.5340  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   109 and name    N and segid AN1)
       ( resid   109 and name   HN and segid AN1) -13.7360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name    N and segid AN1)
       ( resid   110 and name   HN and segid AN1) -5.7400  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   111 and name    N and segid AN1)
       ( resid   111 and name   HN and segid AN1) -0.8690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name    N and segid AN1)
       ( resid   112 and name   HN and segid AN1) -11.6160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name    N and segid AN1)
       ( resid   113 and name   HN and segid AN1) -0.2810  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   114 and name    N and segid AN1)
       ( resid   114 and name   HN and segid AN1)  1.7120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name    N and segid AN1)
       ( resid   115 and name   HN and segid AN1)  3.7710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name    N and segid AN1)
       ( resid   116 and name   HN and segid AN1)  4.6900  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name    N and segid AN1)
       ( resid   117 and name   HN and segid AN1) 17.1370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name    N and segid AN1)
       ( resid   118 and name   HN and segid AN1)  9.0800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   119 and name    N and segid AN1)
       ( resid   119 and name   HN and segid AN1)  3.1220  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   120 and name    N and segid AN1)
       ( resid   120 and name   HN and segid AN1) 12.8240  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   121 and name    N and segid AN1)
       ( resid   121 and name   HN and segid AN1)  7.2450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   122 and name    N and segid AN1)
       ( resid   122 and name   HN and segid AN1)  3.3640  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   123 and name    N and segid AN1)
       ( resid   123 and name   HN and segid AN1)  4.8590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name    N and segid AN1)
       ( resid   124 and name   HN and segid AN1) 14.1900  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name    N and segid AN1)
       ( resid   125 and name   HN and segid AN1)  4.9390  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   126 and name    N and segid AN1)
       ( resid   126 and name   HN and segid AN1)  4.0650  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   127 and name    N and segid AN1)
       ( resid   127 and name   HN and segid AN1)  9.6410  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   128 and name    N and segid AN1)
       ( resid   128 and name   HN and segid AN1) 11.9850  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   129 and name    N and segid AN1)
       ( resid   129 and name   HN and segid AN1) -3.0390  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   130 and name    N and segid AN1)
       ( resid   130 and name   HN and segid AN1) -9.3180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name    N and segid AN1)
       ( resid   131 and name   HN and segid AN1) -0.1250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   132 and name    N and segid AN1)
       ( resid   132 and name   HN and segid AN1) -12.0230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   133 and name    N and segid AN1)
       ( resid   133 and name   HN and segid AN1) -9.8560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name    N and segid AN1)
       ( resid   134 and name   HN and segid AN1) 16.9350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name    N and segid AN1)
       ( resid   135 and name   HN and segid AN1) 10.4980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name    N and segid AN1)
       ( resid   136 and name   HN and segid AN1) 17.2940  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name    N and segid AN1)
       ( resid   137 and name   HN and segid AN1) 12.4050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name    N and segid AN1)
       ( resid   138 and name   HN and segid AN1)  4.4850  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   139 and name    N and segid AN1)
       ( resid   139 and name   HN and segid AN1) -4.8260  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name    N and segid AN1)
       ( resid   140 and name   HN and segid AN1)  5.7600  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name    N and segid AN1)
       ( resid   141 and name   HN and segid AN1)  5.3290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name    N and segid AN1)
       ( resid   142 and name   HN and segid AN1) -0.7180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name    N and segid AN1)
       ( resid   143 and name   HN and segid AN1) -4.0540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name    N and segid AN1)
       ( resid   144 and name   HN and segid AN1)  5.6100  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name    N and segid AN1)
       ( resid   145 and name   HN and segid AN1)  2.0070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   146 and name    N and segid AN1)
       ( resid   146 and name   HN and segid AN1) -11.8860  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    83 and name   CA and segid AN1)
       ( resid    83 and name   HA and segid AN1) -9.8750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name   CA and segid AN1)
       ( resid    84 and name   HA and segid AN1) 22.2420  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name   CA and segid AN1)
       ( resid    85 and name   HA and segid AN1) -1.1630  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    86 and name   CA and segid AN1)
       ( resid    86 and name   HA and segid AN1) -36.4280  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name   CA and segid AN1)
       ( resid    87 and name   HA and segid AN1) 15.1480  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    88 and name   CA and segid AN1)
       ( resid    88 and name   HA and segid AN1) 27.2610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name   CA and segid AN1)
       ( resid    89 and name   HA and segid AN1) -20.6630  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    90 and name   CA and segid AN1)
       ( resid    90 and name   HA and segid AN1) -29.8610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name   CA and segid AN1)
       ( resid    91 and name   HA and segid AN1) 32.3820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name   CA and segid AN1)
       ( resid    92 and name   HA and segid AN1) 18.7220  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    94 and name   CA and segid AN1)
       ( resid    94 and name   HA and segid AN1) -34.8740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name   CA and segid AN1)
       ( resid    95 and name   HA and segid AN1) 28.5980  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    96 and name   CA and segid AN1)
       ( resid    96 and name   HA# and segid AN1)  8.9290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name   CA and segid AN1)
       ( resid    97 and name   HA and segid AN1) -0.2490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name   CA and segid AN1)
       ( resid    98 and name   HA# and segid AN1) -35.0010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name   CA and segid AN1)
       ( resid    99 and name   HA and segid AN1) 30.2670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name   CA and segid AN1)
       ( resid   100 and name   HA and segid AN1) 38.4570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name   CA and segid AN1)
       ( resid   101 and name   HA and segid AN1)  7.8490  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   102 and name   CA and segid AN1)
       ( resid   102 and name   HA and segid AN1)  4.5450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name   CA and segid AN1)
       ( resid   103 and name   HA and segid AN1) -0.0200  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   104 and name   CA and segid AN1)
       ( resid   104 and name   HA and segid AN1) 33.7360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name   CA and segid AN1)
       ( resid   105 and name   HA and segid AN1) -30.9290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name   CA and segid AN1)
       ( resid   106 and name   HA and segid AN1) 22.0060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name   CA and segid AN1)
       ( resid   108 and name   HA and segid AN1)  1.3250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name   CA and segid AN1)
       ( resid   109 and name   HA and segid AN1) -14.7190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name   CA and segid AN1)
       ( resid   110 and name   HA and segid AN1)  7.3440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name   CA and segid AN1)
       ( resid   111 and name   HA and segid AN1)  6.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name   CA and segid AN1)
       ( resid   112 and name   HA and segid AN1) -31.4150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name   CA and segid AN1)
       ( resid   113 and name   HA# and segid AN1)  0.4110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   114 and name   CA and segid AN1)
       ( resid   114 and name   HA and segid AN1)  8.9150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name   CA and segid AN1)
       ( resid   115 and name   HA and segid AN1)  8.3850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name   CA and segid AN1)
       ( resid   116 and name   HA and segid AN1) 19.4730  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name   CA and segid AN1)
       ( resid   117 and name   HA and segid AN1) 33.3070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name   CA and segid AN1)
       ( resid   118 and name   HA and segid AN1) -19.2270  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   120 and name   CA and segid AN1)
       ( resid   120 and name   HA and segid AN1) 40.3950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CA and segid AN1)
       ( resid   121 and name   HA and segid AN1) -18.2460  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   122 and name   CA and segid AN1)
       ( resid   122 and name   HA and segid AN1)  2.1440  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   123 and name   CA and segid AN1)
       ( resid   123 and name   HA and segid AN1) -9.0130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name   CA and segid AN1)
       ( resid   124 and name   HA and segid AN1) 21.6110  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   125 and name   CA and segid AN1)
       ( resid   125 and name   HA and segid AN1) -31.3720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name   CA and segid AN1)
       ( resid   126 and name   HA and segid AN1) -7.4370  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   127 and name   CA and segid AN1)
       ( resid   127 and name   HA and segid AN1)  8.4310  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   128 and name   CA and segid AN1)
       ( resid   128 and name   HA and segid AN1) 18.4010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name   CA and segid AN1)
       ( resid   129 and name   HA and segid AN1) -2.8960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name   CA and segid AN1)
       ( resid   130 and name   HA and segid AN1)  6.4230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name   CA and segid AN1)
       ( resid   131 and name   HA and segid AN1) 35.0150  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   133 and name   CA and segid AN1)
       ( resid   133 and name   HA and segid AN1) -39.1040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name   CA and segid AN1)
       ( resid   134 and name   HA# and segid AN1)  7.8090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name   CA and segid AN1)
       ( resid   135 and name   HA and segid AN1)  6.4080  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   136 and name   CA and segid AN1)
       ( resid   136 and name   HA and segid AN1) 28.8320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name   CA and segid AN1)
       ( resid   137 and name   HA and segid AN1) 40.4960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name   CA and segid AN1)
       ( resid   138 and name   HA and segid AN1)  1.5120  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   139 and name   CA and segid AN1)
       ( resid   139 and name   HA and segid AN1) -30.3990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name   CA and segid AN1)
       ( resid   140 and name   HA and segid AN1) 34.8300  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name   CA and segid AN1)
       ( resid   141 and name   HA and segid AN1) -8.4570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name   CA and segid AN1)
       ( resid   142 and name   HA and segid AN1) -19.0300  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name   CA and segid AN1)
       ( resid   143 and name   HA and segid AN1) -1.3050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name   CA and segid AN1)
       ( resid   144 and name   HA and segid AN1) 11.9790  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   146 and name   CA and segid AN1)
       ( resid   146 and name   HA and segid AN1) -26.2070  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    82 and name    C and segid AN1)
       ( resid    82 and name   CA and segid AN1)  3.6950  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    83 and name    C and segid AN1)
       ( resid    83 and name   CA and segid AN1)  0.1110  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    84 and name    C and segid AN1)
       ( resid    84 and name   CA and segid AN1) -4.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    C and segid AN1)
       ( resid    85 and name   CA and segid AN1)  1.2790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    C and segid AN1)
       ( resid    86 and name   CA and segid AN1)  3.5570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name    C and segid AN1)
       ( resid    87 and name   CA and segid AN1) -1.6330  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    88 and name    C and segid AN1)
       ( resid    88 and name   CA and segid AN1) -3.3950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    C and segid AN1)
       ( resid    89 and name   CA and segid AN1)  3.6370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    C and segid AN1)
       ( resid    90 and name   CA 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    91 and name    C and segid AN1)
       ( resid    91 and name   CA and segid AN1) -3.1820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    C and segid AN1)
       ( resid    92 and name   CA and segid AN1) -1.3400  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    93 and name    C and segid AN1)
       ( resid    93 and name   CA and segid AN1)  3.7950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name    C and segid AN1)
       ( resid    94 and name   CA and segid AN1)  0.4040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name    C and segid AN1)
       ( resid    95 and name   CA and segid AN1)  0.5140  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    96 and name    C and segid AN1)
       ( resid    96 and name   CA and segid AN1) -0.7050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    C and segid AN1)
       ( resid    97 and name   CA and segid AN1)  4.1740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name    C and segid AN1)
       ( resid    98 and name   CA and segid AN1)  0.3960  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    99 and name    C and segid AN1)
       ( resid    99 and name   CA and segid AN1)  0.7660  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   100 and name    C and segid AN1)
       ( resid   100 and name   CA and segid AN1) -3.2770  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   101 and name    C and segid AN1)
       ( resid   101 and name   CA and segid AN1)  0.0640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   102 and name    C and segid AN1)
       ( resid   102 and name   CA and segid AN1)  2.4750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name    C and segid AN1)
       ( resid   103 and name   CA and segid AN1) -3.1230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name    C and segid AN1)
       ( resid   104 and name   CA and segid AN1)  0.6390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name    C and segid AN1)
       ( resid   105 and name   CA and segid AN1)  0.5800  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   106 and name    C and segid AN1)
       ( resid   106 and name   CA and segid AN1)  0.4610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   107 and name    C and segid AN1)
       ( resid   107 and name   CA and segid AN1) -2.4940  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name    C and segid AN1)
       ( resid   108 and name   CA and segid AN1)  0.2130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name    C and segid AN1)
       ( resid   109 and name   CA and segid AN1)  1.6210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name    C and segid AN1)
       ( resid   110 and name   CA and segid AN1) -2.2950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name    C and segid AN1)
       ( resid   111 and name   CA and segid AN1) -0.6190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name    C and segid AN1)
       ( resid   112 and name   CA and segid AN1) -0.1720  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   113 and name    C and segid AN1)
       ( resid   113 and name   CA and segid AN1) -0.2870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   114 and name    C and segid AN1)
       ( resid   114 and name   CA and segid AN1) -1.5450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name    C and segid AN1)
       ( resid   115 and name   CA and segid AN1) -0.3480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name    C and segid AN1)
       ( resid   116 and name   CA and segid AN1) -2.2190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name    C and segid AN1)
       ( resid   117 and name   CA and segid AN1)  0.1270  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   118 and name    C and segid AN1)
       ( resid   118 and name   CA and segid AN1)  3.7990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   119 and name    C and segid AN1)
       ( resid   119 and name   CA and segid AN1) -1.5980  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   120 and name    C and segid AN1)
       ( resid   120 and name   CA and segid AN1) -0.2150  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   121 and name    C and segid AN1)
       ( resid   121 and name   CA and segid AN1) -0.6580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   122 and name    C and segid AN1)
       ( resid   122 and name   CA and segid AN1)  3.8400  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   123 and name    C and segid AN1)
       ( resid   123 and name   CA and segid AN1) -2.4800  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   124 and name    C and segid AN1)
       ( resid   124 and name   CA and segid AN1) -0.1130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name    C and segid AN1)
       ( resid   125 and name   CA and segid AN1)  1.4550  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name    C and segid AN1)
       ( resid   126 and name   CA and segid AN1)  1.2380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   127 and name    C and segid AN1)
       ( resid   127 and name   CA and segid AN1) -1.5490  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   128 and name    C and segid AN1)
       ( resid   128 and name   CA and segid AN1) -0.8590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name    C and segid AN1)
       ( resid   129 and name   CA and segid AN1)  2.3540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name    C and segid AN1)
       ( resid   130 and name   CA and segid AN1) -2.0840  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   131 and name    C and segid AN1)
       ( resid   131 and name   CA and segid AN1) -1.5860  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   132 and name    C and segid AN1)
       ( resid   132 and name   CA and segid AN1)  3.3420  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   133 and name    C and segid AN1)
       ( resid   133 and name   CA and segid AN1)  1.8870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name    C and segid AN1)
       ( resid   134 and name   CA and segid AN1) -1.9280  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name    C and segid AN1)
       ( resid   135 and name   CA and segid AN1) -0.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name    C and segid AN1)
       ( resid   136 and name   CA and segid AN1) -1.0140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name    C and segid AN1)
       ( resid   137 and name   CA and segid AN1) -2.7540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name    C and segid AN1)
       ( resid   138 and name   CA and segid AN1)  4.0490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name    C and segid AN1)
       ( resid   139 and name   CA and segid AN1) -0.1880  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name    C and segid AN1)
       ( resid   140 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   141 and name    C and segid AN1)
       ( resid   141 and name   CA and segid AN1) -0.9820  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   142 and name    C and segid AN1)
       ( resid   142 and name   CA and segid AN1)  2.4510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name    C and segid AN1)
       ( resid   143 and name   CA and segid AN1)  0.1250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name    C and segid AN1)
       ( resid   144 and name   CA and segid AN1) -3.0470  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   145 and name    C and segid AN1)
       ( resid   145 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   146 and name    C and segid AN1)
       ( resid   146 and name   CA and segid AN1)  1.3910  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    82 and name    C and segid AN1)
       ( resid    83 and name    N and segid AN1) -1.4240  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    83 and name    C and segid AN1)
       ( resid    84 and name    N and segid AN1)  0.4240  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    84 and name    C and segid AN1)
       ( resid    85 and name    N and segid AN1)  1.2760  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    85 and name    C and segid AN1)
       ( resid    86 and name    N and segid AN1) -0.2060  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    86 and name    C and segid AN1)
       ( resid    87 and name    N and segid AN1) -1.7440  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    87 and name    C and segid AN1)
       ( resid    88 and name    N and segid AN1)  1.4160  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    88 and name    C and segid AN1)
       ( resid    89 and name    N and segid AN1)  0.5160  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    89 and name    C and segid AN1)
       ( resid    90 and name    N and segid AN1) -1.0420  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    90 and name    C and segid AN1)
       ( resid    91 and name    N and segid AN1) -0.1600  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    92 and name    C and segid AN1)
       ( resid    93 and name    N and segid AN1) -0.1760  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    93 and name    C and segid AN1)
       ( resid    94 and name    N and segid AN1)  0.3920  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    94 and name    C and segid AN1)
       ( resid    95 and name    N and segid AN1) -1.5580  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    95 and name    C and segid AN1)
       ( resid    96 and name    N and segid AN1)  0.6160  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    96 and name    C and segid AN1)
       ( resid    97 and name    N and segid AN1) -1.6820  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    97 and name    C and segid AN1)
       ( resid    98 and name    N and segid AN1) -1.0960  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    98 and name    C and segid AN1)
       ( resid    99 and name    N and segid AN1) -0.3240  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    99 and name    C and segid AN1)
       ( resid   100 and name    N and segid AN1)  1.1080  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   100 and name    C and segid AN1)
       ( resid   101 and name    N and segid AN1)  1.5480  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   101 and name    C and segid AN1)
       ( resid   102 and name    N and segid AN1) -1.6540  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   102 and name    C and segid AN1)
       ( resid   103 and name    N and segid AN1)  1.4440  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   103 and name    C and segid AN1)
       ( resid   104 and name    N and segid AN1) -0.2160  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   104 and name    C and segid AN1)
       ( resid   105 and name    N and segid AN1)  1.3420  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   105 and name    C and segid AN1)
       ( resid   106 and name    N and segid AN1) -0.8900  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   106 and name    C and segid AN1)
       ( resid   107 and name    N and segid AN1)  0.6840  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   107 and name    C and segid AN1)
       ( resid   108 and name    N and segid AN1)  1.2700  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   108 and name    C and segid AN1)
       ( resid   109 and name    N and segid AN1) -0.7260  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   109 and name    C and segid AN1)
       ( resid   110 and name    N and segid AN1)  0.8420  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   110 and name    C and segid AN1)
       ( resid   111 and name    N and segid AN1)  0.2000  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   111 and name    C and segid AN1)
       ( resid   112 and name    N and segid AN1)  2.0840  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   113 and name    C and segid AN1)
       ( resid   114 and name    N and segid AN1) -0.2460  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   115 and name    C and segid AN1)
       ( resid   116 and name    N and segid AN1) -0.5580  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   116 and name    C and segid AN1)
       ( resid   117 and name    N and segid AN1) -0.5640  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   117 and name    C and segid AN1)
       ( resid   118 and name    N and segid AN1) -1.3560  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   118 and name    C and segid AN1)
       ( resid   119 and name    N and segid AN1)  0.2300  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   120 and name    C and segid AN1)
       ( resid   121 and name    N and segid AN1)  1.7620  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   121 and name    C and segid AN1)
       ( resid   122 and name    N and segid AN1) -2.1420  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   122 and name    C and segid AN1)
       ( resid   123 and name    N and segid AN1)  0.3780  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   123 and name    C and segid AN1)
       ( resid   124 and name    N and segid AN1) -0.2760  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   124 and name    C and segid AN1)
       ( resid   125 and name    N and segid AN1)  0.1920  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   125 and name    C and segid AN1)
       ( resid   126 and name    N and segid AN1) -0.9920  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   126 and name    C and segid AN1)
       ( resid   127 and name    N and segid AN1) -1.1680  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   127 and name    C and segid AN1)
       ( resid   128 and name    N and segid AN1)  1.5240  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   128 and name    C and segid AN1)
       ( resid   129 and name    N and segid AN1) -1.8280  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   129 and name    C and segid AN1)
       ( resid   130 and name    N and segid AN1) -0.0380  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   130 and name    C and segid AN1)
       ( resid   131 and name    N and segid AN1)  1.5420  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   131 and name    C and segid AN1)
       ( resid   132 and name    N and segid AN1)  0.0380  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   133 and name    C and segid AN1)
       ( resid   134 and name    N and segid AN1)  0.0220  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   134 and name    C and segid AN1)
       ( resid   135 and name    N and segid AN1) -1.0980  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   135 and name    C and segid AN1)
       ( resid   136 and name    N and segid AN1) -2.2180  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   136 and name    C and segid AN1)
       ( resid   137 and name    N and segid AN1)  1.0540  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   137 and name    C and segid AN1)
       ( resid   138 and name    N and segid AN1) -1.2420  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   138 and name    C and segid AN1)
       ( resid   139 and name    N and segid AN1)  0.4380  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   139 and name    C and segid AN1)
       ( resid   140 and name    N and segid AN1) -1.2980  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   140 and name    C and segid AN1)
       ( resid   141 and name    N and segid AN1)  1.3120  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   141 and name    C and segid AN1)
       ( resid   142 and name    N and segid AN1)  0.2200  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   142 and name    C and segid AN1)
       ( resid   143 and name    N and segid AN1) -1.3520  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   143 and name    C and segid AN1)
       ( resid   144 and name    N and segid AN1)  1.3980  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   144 and name    C and segid AN1)
       ( resid   145 and name    N and segid AN1) -0.9080  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   145 and name    C and segid AN1)
       ( resid   146 and name    N and segid AN1)  0.2240  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   146 and name    C and segid AN1)
       ( resid   147 and name    N and segid AN1) -1.5940  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    82 and name    C and segid AN1)
       ( resid    82 and name   HA and segid AN1)  2.6420  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    83 and name    C and segid AN1)
       ( resid    83 and name   HA and segid AN1)  0.0920  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name    C and segid AN1)
       ( resid    84 and name   HA and segid AN1) -2.5310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    C and segid AN1)
       ( resid    85 and name   HA and segid AN1)  0.4820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    C and segid AN1)
       ( resid    86 and name   HA and segid AN1)  0.9180  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    87 and name    C and segid AN1)
       ( resid    87 and name   HA and segid AN1) -0.5390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name    C and segid AN1)
       ( resid    88 and name   HA and segid AN1) -2.6670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    C and segid AN1)
       ( resid    89 and name   HA and segid AN1)  2.4530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    C and segid AN1)
       ( resid    90 and name   HA and segid AN1)  0.0780  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    C and segid AN1)
       ( resid    92 and name   HA and segid AN1) -1.5930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    93 and name    C and segid AN1)
       ( resid    93 and name   HA and segid AN1)  0.5050  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    94 and name    C and segid AN1)
       ( resid    94 and name   HA and segid AN1) -2.8870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name    C and segid AN1)
       ( resid    95 and name   HA and segid AN1)  3.5590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name    C and segid AN1)
       ( resid    96 and name   HA and segid AN1)  1.8340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    C and segid AN1)
       ( resid    97 and name   HA and segid AN1)  4.5530  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    98 and name    C and segid AN1)
       ( resid    98 and name   HA and segid AN1) -3.6310  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    99 and name    C and segid AN1)
       ( resid    99 and name   HA and segid AN1)  3.4320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name    C and segid AN1)
       ( resid   101 and name   HA and segid AN1) -0.8370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   102 and name    C and segid AN1)
       ( resid   102 and name   HA and segid AN1)  4.9020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name    C and segid AN1)
       ( resid   103 and name   HA and segid AN1) -3.6950  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   104 and name    C and segid AN1)
       ( resid   104 and name   HA and segid AN1)  4.2430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name    C and segid AN1)
       ( resid   105 and name   HA and segid AN1)  0.1190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name    C and segid AN1)
       ( resid   106 and name   HA and segid AN1)  3.4180  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   107 and name    C and segid AN1)
       ( resid   107 and name   HA and segid AN1) -0.6190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name    C and segid AN1)
       ( resid   108 and name   HA and segid AN1)  2.3410  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name    C and segid AN1)
       ( resid   109 and name   HA and segid AN1)  1.8490  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   110 and name    C and segid AN1)
       ( resid   110 and name   HA and segid AN1) -1.0450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name    C and segid AN1)
       ( resid   111 and name   HA and segid AN1)  2.0350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name    C and segid AN1)
       ( resid   112 and name   HA and segid AN1)  0.2110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name    C and segid AN1)
       ( resid   113 and name   HA and segid AN1)  1.6700  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   114 and name    C and segid AN1)
       ( resid   114 and name   HA and segid AN1) -1.7730  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name    C and segid AN1)
       ( resid   115 and name   HA and segid AN1)  1.8090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name    C and segid AN1)
       ( resid   116 and name   HA and segid AN1)  1.0640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name    C and segid AN1)
       ( resid   117 and name   HA and segid AN1)  1.7750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name    C and segid AN1)
       ( resid   118 and name   HA and segid AN1)  1.9080  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   119 and name    C and segid AN1)
       ( resid   119 and name   HA and segid AN1) -3.4710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name    C and segid AN1)
       ( resid   120 and name   HA and segid AN1)  1.7060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name    C and segid AN1)
       ( resid   121 and name   HA and segid AN1) -4.7640  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   122 and name    C and segid AN1)
       ( resid   122 and name   HA and segid AN1)  3.8460  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   123 and name    C and segid AN1)
       ( resid   123 and name   HA and segid AN1) -5.4390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name    C and segid AN1)
       ( resid   124 and name   HA and segid AN1)  0.9970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name    C and segid AN1)
       ( resid   125 and name   HA and segid AN1) -1.7490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name    C and segid AN1)
       ( resid   126 and name   HA 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   127 and name    C and segid AN1)
       ( resid   127 and name   HA and segid AN1) -1.7560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   128 and name    C and segid AN1)
       ( resid   128 and name   HA and segid AN1) -0.9350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name    C and segid AN1)
       ( resid   129 and name   HA and segid AN1)  0.7970  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   130 and name    C and segid AN1)
       ( resid   130 and name   HA and segid AN1)  0.0490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name    C and segid AN1)
       ( resid   131 and name   HA and segid AN1)  3.5610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   132 and name    C and segid AN1)
       ( resid   132 and name   HA and segid AN1) -0.9950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   133 and name    C and segid AN1)
       ( resid   133 and name   HA 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   134 and name    C and segid AN1)
       ( resid   134 and name   HA and segid AN1)  3.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name    C and segid AN1)
       ( resid   135 and name   HA and segid AN1)  1.8400  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   136 and name    C and segid AN1)
       ( resid   136 and name   HA and segid AN1)  1.5980  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   137 and name    C and segid AN1)
       ( resid   137 and name   HA and segid AN1)  1.2360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name    C and segid AN1)
       ( resid   138 and name   HA and segid AN1)  4.6350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name    C and segid AN1)
       ( resid   139 and name   HA and segid AN1) -3.0970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name    C and segid AN1)
       ( resid   140 and name   HA and segid AN1)  1.7870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name    C and segid AN1)
       ( resid   141 and name   HA and segid AN1) -1.4310  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   142 and name    C and segid AN1)
       ( resid   142 and name   HA and segid AN1)  1.2580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name    C and segid AN1)
       ( resid   143 and name   HA and segid AN1)  0.5840  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   144 and name    C and segid AN1)
       ( resid   144 and name   HA and segid AN1) -3.1130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name    C and segid AN1)
       ( resid   145 and name   HA and segid AN1)  1.8750  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    84 and name   CB and segid AN1)
       ( resid    84 and name  HB# and segid AN1) 15.188  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name   CB and segid AN1)
       ( resid    86 and name  HB# and segid AN1) -0.3740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name   CB and segid AN1)
       ( resid    89 and name  HB# and segid AN1) 17.1680  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    92 and name   CB and segid AN1)
       ( resid    92 and name  HB# and segid AN1) -33.781  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name   CB and segid AN1)
       ( resid    99 and name  HB# and segid AN1) 37.8010  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   100 and name   CB and segid AN1)
       ( resid   100 and name   HB and segid AN1) 31.8310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name   CB and segid AN1)
       ( resid   104 and name  HB# and segid AN1) -21.5920  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   105 and name   CB and segid AN1)
       ( resid   105 and name  HB# and segid AN1) -23.3950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name   CB and segid AN1)
       ( resid   109 and name  HB# and segid AN1) -16.1190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name   CB and segid AN1)
       ( resid   117 and name   HB and segid AN1) -18.6030  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name   CB and segid AN1)
       ( resid   118 and name  HB# and segid AN1) -16.6470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name   CB and segid AN1)
       ( resid   120 and name  HB# and segid AN1) 17.8320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CB and segid AN1)
       ( resid   121 and name   HB and segid AN1) -24.0230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name   CB and segid AN1)
       ( resid   124 and name  HB# and segid AN1) 12.2660  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name   CB and segid AN1)
       ( resid   125 and name   HB and segid AN1) -11.879  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name   CB and segid AN1)
       ( resid   130 and name   HB and segid AN1) 12.7490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name   CB and segid AN1)
       ( resid   136 and name   HB 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   137 and name   CB and segid AN1)
       ( resid   137 and name  HB# and segid AN1) -24.153  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name   CB and segid AN1)
       ( resid   138 and name  HB# and segid AN1) 40.8540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name   CB and segid AN1)
       ( resid   139 and name  HB# and segid AN1) -0.388  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name   CB and segid AN1)
       ( resid   140 and name  HB# and segid AN1) 33.1460  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name   CB and segid AN1)
       ( resid   141 and name  HB# and segid AN1) -23.810  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name   CB and segid AN1)
       ( resid   142 and name   HB and segid AN1) -16.442  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name   CB and segid AN1)
       ( resid   144 and name  HB# and segid AN1) -25.7160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name   CB and segid AN1)
       ( resid   145 and name  HB# and segid AN1) -16.175  1.0000  1.0000

!Couplings derived from Methyl CH3 dipolar 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    91 and name   CB and segid AN1)
       ( resid    91 and name  CG1 and segid AN1) -0.327  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name   CB and segid AN1)
       ( resid    91 and name  CG2 and segid AN1) -2.020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name   CB and segid AN1)
       ( resid   100 and name  CG2 and segid AN1)  1.027  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CB and segid AN1)
       ( resid   121 and name  CG1 and segid AN1) -0.320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CB and segid AN1)
       ( resid   121 and name  CG2 and segid AN1) -0.830  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name   CB and segid AN1)
       ( resid   125 and name  CG2 and segid AN1) -0.703  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name   CB and segid AN1)
       ( resid   125 and name  CD1 and segid AN1)  0.401  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name   CB and segid AN1)
       ( resid   130 and name  CD1 and segid AN1) -1.138  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name   CB and segid AN1)
       ( resid   142 and name  CG1 and segid AN1)  0.050  1.0000  1.0000



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